diff --git a/protein_info.csv b/protein_info.csv new file mode 100644 index 0000000000000000000000000000000000000000..e9cb94949361b678ba7f903ad4d876f91386a05e --- /dev/null +++ b/protein_info.csv @@ -0,0 +1,634 @@ +Sequence,Melting_Temperature,pLDDT_Confidence +GPOGPOGPOGPOGPQGPGGPPGPOGPOGPOGPOGPO,68.0,92.51 +GPOGPOGPOGPOGPOGPOGPOGPOGPO,62.0,88.37 +GPOGPOGPOGPOGPOGPOGPOGPOGPO,58.0,88.37 +GPOGPOGPOGPOGAKGDAGPOGPOGPOGPOGPO,55.0,85.06 +GPOGPOGPOGPOGPVGAAGATGPOGPOGPOGPOGPO,54.0,79.45 +GPOGPOGPKGEOGPOGPOGPO,51.0,93.34 +GPOGPOGPOGPOGPOGPOGPO,50.5,95.65 +GPOGPOGPKGSOGPOGPOGPO,49.5,96.7 +GPOGPOGPOGQOGLOGLOGPOGPOGPOGPO,48.0,83.46 +GPOGPOGPKGDOGPOGPOGPO,48.0,93.09 +GPOGPOGPOGPOGPOGPOGPOGPO,47.3,86.7 +GPOGPOGPOGPOGPOGPOGPOGPO,47.3,86.7 +GPOGPOGPOGPOGPOGPOGPOGPO,47.3,86.7 +GPOGPOGPOGPRGPOGPOGPOGPO,47.2,92.65 +GPOGPOGPOGPRGPOGPOGPOGPO,47.2,92.65 +GPOGPOGPOGTOGPOGPOGPO,46.5,82.56 +GPOGPOGPOGPOGPOGPOGPOGPO,45.5,86.7 +GPOGPOGPOGPAGPOGPOGPOGPO,45.5,82.66 +GPOGPOGPOGSOGPOGPOGPO,45.5,89.51 +GPOGPOGPOGPPGPOGPOGPOGPO,45.5,90.39 +GPOGPOGPOGPOGPQGPGSPPGPOGPOGPOGPOGPO,45.0,90.7 +GPOGPOGPOGPOGPOGPOGPOGPO,44.5,86.7 +GPOGPOGPOGPRGPOGPOGPOGPO,44.5,92.65 +GPOGPOGPOGPOGPOGPOGPOGPO,44.5,86.7 +GPOGPOGPOGPOGPOGPOGPOGPO,44.5,86.7 +GPOGPOGPOGGQOGLOGLOGPOPOGPOGPOGGY,44.0,87.52 +GPOGPOGPOGSOGPOGPOGPO,44.0,89.51 +GPOGPOGPOGEOGPOGPOGPOGPO,42.9,80.35 +GPOGPOGPOGEOGPOGPOGPOGPO,42.9,80.35 +GPOGPOGPOGEOGPOGPOGPOGPO,42.9,80.35 +GPOGPOGPOGAKGDAGPOGPAGPOGPOGPOGY,42.8,92.9 +GPOGPOGPAGPOGPOGPAGPOGPO,42.8,88.99 +GPOGPOGPOGPMGPOGPOGPOGPO,42.6,91.84 +GPOGPOGPOGPMGPOGPOGPOGPO,42.6,91.84 +GPOGPOGPOGPAGPOGPAGPOGPO,42.2,90.3 +GPOGPOGPKGPOGPOGPOGPO,42.0,96.56 +GPOGPOGPOGAOGPOGPOGPOGPO,41.7,92.45 +GPOGPOGPOGAOGPOGPOGPOGPO,41.7,92.45 +GPOGPOGPOGKOGPOGPOGPOGPO,41.5,89.07 +GPOGPOGPOGKOGPOGPOGPOGPO,41.5,89.07 +GPOGPOGPOGPIGPOGPOGPOGPO,41.5,88.19 +GPOGPOGPOGKOGPOGPOGPOGPO,41.5,89.07 +GPOGPOGPOGPIGPOGPOGPOGPO,41.5,88.19 +GPOGPOGQOGLOGLOGPOGPOGPOGPO,41.3,76.32 +GPOGPOGPOGPQGPOGPOGPOGPO,41.3,91.7 +GPOGPOGPOGPQGPOGPOGPOGPO,41.3,91.7 +GPOGPOGPOGEPGPOGPOGPOGPO,41.1,91.18 +GPOGPOGPOGPAGPOGPOGPOGPO,40.9,82.66 +GPOGPOGPOGPAGPOGPOGPOGPO,40.9,82.66 +GPOGPOGPOGAOGPOGPOGPOGPO,40.6,92.45 +GPOGPOGPOGROGPOGPOGPOGPO,40.6,85.43 +GPOGPOGPOGROGPOGPOGPOGPO,40.6,85.43 +GPOGPOGPOGROGPOGPOGPOGPO,40.6,85.43 +GPOGPOGPOGPOGPAGPAGPOGPO,40.4,79.46 +GPOGPOGPOGERGPOGPOGPOGPO,40.4,91.74 +GPOGPOGPOGQOGPOGPOGPOGPO,40.4,90.75 +GPOGPOGPOGQOGPOGPOGPOGPO,40.4,90.75 +GPOGPOGPOGERGPOGPOGPOGPO,40.4,91.74 +GPOGPOGPOGDOGPOGPOGPOGPO,40.1,90.19 +GPOGPOGPOGDOGPOGPOGPOGPO,40.1,90.19 +GPOGPOGPOGDOGPOGPOGPOGPO,40.1,90.19 +GPOGPOGPOGPVGPOGPOGPOGPO,40.0,90.81 +GPOGPOGPOGPVGPOGPOGPOGPO,40.0,90.81 +GPOGPOGPOGAOGPOGPOGPOGPO,39.9,92.45 +GPOGPOGPOGAOGPOGPOGPOGPO,39.9,92.45 +GPOGPOGPOGAOGPOGPOGPOGPO,39.9,92.45 +GPOGPOGPOGPEGPOGPOGPOGPO,39.7,92.22 +GPOGPOGPOGPEGPOGPOGPOGPO,39.7,92.22 +GPOGPOGPOGPTGPOGPOGPOGPO,39.7,89.04 +GPOGPOGPOGKPGPOGPOGPOGPO,39.7,91.79 +GPOGPOGPOGPEGPOGPOGPOGPO,39.7,92.22 +GPOGPOGPOGPTGPOGPOGPOGPO,39.7,89.04 +GPOGPOGPOGTOGPOGPOGPO,39.5,82.56 +GPOGPOGPOGQRGPOGPOGPOGPO,39.5,88.48 +GPOGPOGPOGKRGPOGPOGPOGPO,39.1,92.22 +GPOGPOGPOGLOGPOGPOGPOGPO,39.0,72.77 +GPOGPOGPOGLOGPOGPOGPOGPO,39.0,72.77 +GPOGPOGPOGLOGPOGPOGPOGPO,39.0,72.77 +GPOGPOGPOGVOGPOGPOGPOGPO,38.9,75.13 +GPOGPOGPOGVOGPOGPOGPOGPO,38.9,75.13 +GPOGPOGPOGKQGPOGPOGPOGPO,38.9,91.07 +GPOGPOGPOGRPGPOGPOGPOGPO,38.8,92.13 +GPOGPOGPOGMOGPOGPOGPOGPO,38.6,82.94 +GPOGPOGPOGMOGPOGPOGPOGPO,38.6,82.94 +GPOGPOGPOGQPGPOGPOGPOGPO,38.6,92.14 +GPOGPOGPKGTOGPOGPOGPO,38.5,95.66 +GLPGPRGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLPGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,38.5,61.87 +GPOGPOGPOGIOGPOGPOGPOGPO,38.4,76.54 +GPOGPOGPOGIOGPOGPOGPOGPO,38.4,76.54 +GPOGPOGPOGPAGPOGPOGPOGPO,38.3,82.66 +GPOGPOGPOGPAGPOGPOGPOGPO,38.3,82.66 +GPOGPOGPOGNOGPOGPOGPOGPO,38.3,78.49 +GPOGPOGPOGNOGPOGPOGPOGPO,38.3,78.49 +GPOGPOGPOGDPGPOGPOGPOGPO,38.3,89.64 +GPOGPOGPOGSOGPOGPOGPOGPO,38.3,73.37 +GLPGPRGEQGPTGPMGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLPGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,38.3,51.36 +GPOGPOGPOGAAGPOGPOGPOGPO,38.2,81.64 +GPOGPOGPOGARGPOGPOGPOGPO,38.2,86.92 +GPOGPOGPOGEMGPOGPOGPOGPO,38.2,90.74 +GPOGPOGPOGSOGPOGPOGPOGPO,38.0,73.37 +GPOGPOGPOGSOGPOGPOGPOGPO,38.0,73.37 +GPOGPOGPOGRRGPOGPOGPOGPO,38.0,85.59 +GPOGPOGPOGPCGPOGPOGPOGPO,37.7,83.26 +GPOGPOGPOGAPGPOGPOGPOGPO,37.7,94.81 +GPOGPOGPOGEQGPOGPOGPOGPO,37.7,90.77 +GPOGPOGPOGPCGPOGPOGPOGPO,37.7,83.26 +GPOGPOGPOGLPGPOGPOGPOGPO,37.2,78.36 +GPOGPOGPOGDRGPOGPOGPOGPO,37.1,90.42 +GPOGPOGPOGVPGPOGPOGPOGPO,37.1,73.37 +GPOGPOGPOGDRGPOGPOGPOGPO,37.1,90.42 +GPOGPOGPOGEIGPOGPOGPOGPO,37.1,88.79 +GPOGPOGPOGAMGPOGPOGPOGPO,37.0,90.02 +GLPGPRGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLPGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGKDGEAGAQGPAGPMRPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,37.0,57.0 +GPOGPOGPOGPKGPOGPOGPOGPO,36.8,91.4 +GPOGPOGPOGPKGPOGPOGPOGPO,36.8,91.4 +GPOGPOGPOGPVGPOGPOGPOGPO,36.8,90.81 +GPOGPOGPOGMPGPOGPOGPOGPO,36.8,83.4 +GPOGPOGPOGKMGPOGPOGPOGPO,36.8,91.76 +GPOGPOGPOGPKGPOGPOGPOGPO,36.8,91.4 +GPOGPOGPOGIPGPOGPOGPOGPO,36.6,75.66 +GPOGPOGPKGSOGPOGPOGPO,36.5,96.7 +GPOGPOGPOGHOGPOGPOGPOGPO,36.5,84.76 +GPOGPOGPOGHOGPOGPOGPOGPO,36.5,84.76 +GPOGPOGPOGNPGPOGPOGPOGPO,36.5,89.79 +GLPGPRGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLPGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGKDGEAGAQGPAGPMSPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,36.5,58.81 +GPOGPOGPOGLRGPOGPOGPOGPO,36.4,90.64 +GPOGPOGPOGVRGPOGPOGPOGPO,36.3,78.42 +GPOGPOGPOGTOGPOGPOGPOGPO,36.2,95.31 +GPOGPOGPOGTOGPOGPOGPOGPO,36.2,95.31 +GPOGPOGPOGSPGPOGPOGPOGPO,36.2,88.31 +GPOGPOGPOGCOGPOGPOGPOGPO,36.1,72.44 +GPOGPOGPOGCOGPOGPOGPOGPO,36.1,72.44 +GPOGPOGPOGPOGPOGPO,36.0,75.6 +GPOGPOGPOGPOGPOGPO,36.0,75.6 +GPOGPOGPOGMRGPOGPOGPOGPO,36.0,91.34 +GPOGPOGPOGRMGPOGPOGPOGPO,35.9,95.68 +GPOGPOGPOGAIGPOGPOGPOGPO,35.9,83.34 +GPOGPOGPOGETGPOGPOGPOGPO,35.9,89.53 +GPOGPOGPOGIRGPOGPOGPOGPO,35.8,90.8 +GPOGPOGPOGKDGPOGPOGPOGPO,35.8,83.09 +GPOGPOGPOGPHGPOGPOGPOGPO,35.7,92.14 +GPOGPOGPOGNRGPOGPOGPOGPO,35.7,89.39 +GPOGPOGPOGQMGPOGPOGPOGPO,35.7,79.54 +GPOGPOGPOGKIGPOGPOGPOGPO,35.7,90.4 +GPOGPOGPOGAQGPOGPOGPOGPO,35.7,87.66 +GPOGPOGPOGLQGPOGPOGPOGPO,35.7,90.06 +GPOGPOGPOGPHGPOGPOGPOGPO,35.7,92.14 +GPOGPOGPOGKDGPOGPOGPOGPO,35.5,83.09 +GPOGPOGPOGSRGPOGPOGPOGPO,35.4,86.78 +GPOGPOGPOGDMGPOGPOGPOGPO,35.4,87.96 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERGFPGERGVQGPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,35.4,58.39 +GPOGPOGPOGKEGPOGPOGPOGPO,35.3,89.38 +GPOGPOGPOGEVGPOGPOGPOGPO,35.3,88.98 +GPOGPOGPOGEEGPOGPOGPOGPO,35.3,87.62 +GPOGPOGPOGKEGPOGPOGPOGPO,35.3,89.38 +GPOGPOGPOGKAGPOGPOGPOGPO,35.1,86.71 +GPOGPOGPOGRDGPOGPOGPOGPO,35.0,90.53 +GPOGPOGPOGEKGPOGPOGPOGPO,35.0,88.82 +GPOGPOGPOGPSGPOGPOGPOGPO,35.0,88.27 +GPOGPOGPOGEKGPOGPOGPOGPO,35.0,88.82 +GPOGPOGPOGPSGPOGPOGPOGPO,35.0,88.27 +GPOGAOGAOGAOGPVGPAGARGPOGPOGPOGPO,35.0,94.39 +GPOGPOGPOGRIGPOGPOGPOGPO,34.8,90.83 +GPOGPOGPOGPSGPOGPOGPOGPO,34.8,88.27 +GPOGPOGPOGHPGPOGPOGPOGPO,34.7,77.89 +GPOGPOGPOGQIGPOGPOGPOGPO,34.6,92.26 +GPOGPOGPOGRQGPOGPOGPOGPO,34.6,90.42 +GPOGPOGPOGEAGPOGPOGPOGPO,34.6,86.63 +GPOGPOGPOGRDGPOGPOGPOGPO,34.5,90.53 +GPOGPOGPOGTPGPOGPOGPOGPO,34.4,96.11 +GPOGPOGPOGQQGPOGPOGPOGPO,34.4,78.17 +GPOGPOGPOGAVGPOGPOGPOGPO,34.4,82.66 +GPOGPOGPOGYOGPOGPOGPOGPO,34.3,82.49 +GPOGPOGPOGYOGPOGPOGPOGPO,34.3,82.49 +GPOGPOGPOGCPGPOGPOGPOGPO,34.3,76.15 +GPOGPOGPOGLMGPOGPOGPOGPO,34.3,90.74 +GPOGPOGPOGDIGPOGPOGPOGPO,34.3,86.42 +GPOGPOGPOGVMGPOGPOGPOGPO,34.2,88.24 +GPOGPOGPOGRAGPOGPOGPOGPO,34.2,89.22 +GPOGPOGPOGKVGPOGPOGPOGPO,34.2,89.55 +GPOGPOGPOGDQGPOGPOGPOGPO,34.1,88.26 +GPOGPOGPOGAEGPOGPOGPOGPO,34.1,87.77 +GPOGPOGPOGATGPOGPOGPOGPO,34.1,84.8 +GPOGPOGPOGPDGPOGPOGPOGPO,34.0,85.38 +GPOGPOGPOGQAGPOGPOGPOGPO,34.0,87.82 +GPOGPOGPOGPDGPOGPOGPOGPO,34.0,85.38 +GPOGPOGPOGHRGPOGPOGPOGPO,33.9,90.57 +GPOGPOGPOGMMGPOGPOGPOGPO,33.9,89.16 +GPOGPOGPOGIAGPOGPOGPOGPO,33.9,73.75 +GPOGPOGPOGKTGPOGPOGPOGPO,33.9,91.6 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERAFPGERGVQGPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,33.9,59.85 +GPOGPOGPOGREGPOGPOGPOGPO,33.8,91.23 +GPOGPOGPOGREGPOGPOGPOGPO,33.8,91.23 +GPOGPOGPOGIMGPOGPOGPOGPO,33.7,87.33 +GPOGPOGPOGTRGPOGPOGPOGPO,33.6,86.38 +GPOGPOGPOGNMGPOGPOGPOGPO,33.6,90.2 +GPOGPOGPOGFOGPOGPOGPOGPO,33.5,82.05 +GPOGPOGPOGFOGPOGPOGPOGPO,33.5,82.05 +GPOGPOGPOGFOGPOGPOGPOGPO,33.5,82.05 +GPOGPOGPOGCRGPOGPOGPOGPO,33.5,88.05 +GPOGPOGPOGSMGPOGPOGPOGPO,33.3,85.43 +GPOGPOGPOGRVGPOGPOGPOGPO,33.3,81.97 +GPOGPOGPOGECGPOGPOGPOGPO,33.3,86.16 +GPOGPOGPOGGOGPOGPOGPOGPO,33.2,77.7 +GPOGPOGPOGGOGPOGPOGPOGPO,33.2,77.7 +GPOGPOGPOGLIGPOGPOGPOGPO,33.2,87.84 +GPOGPOGPOGVIGPOGPOGPOGPO,33.1,88.39 +GPOGPOGPOGQVGPOGPOGPOGPO,33.1,86.69 +GPOGPOGPOGRTGPOGPOGPOGPO,33.0,90.96 +GPOGPOGPOGASGPOGPOGPOGPO,33.0,82.86 +GPOGPOGPOGADGPOGPOGPOGPO,33.0,87.63 +GPOGPOGPOGPOGPVGAASATGPOGPOGPOGPOGPO,33.0,76.91 +GPOGPOGPOGVQGPOGPOGPOGPO,32.9,88.63 +GPOGPOGPOGAAGPOGPOGPOGPO,32.9,81.64 +GPOGPOGPOGPGGPOGPOGPOGPO,32.9,89.92 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERGFPGERGVQVPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,32.9,54.94 +GPOGPOGPOGMIGPOGPOGPOGPO,32.8,83.02 +GPOGPOGPOGDVGPOGPOGPOGPO,32.8,85.94 +GPOGPOGPOGQEGPOGPOGPOGPO,32.8,83.76 +GPOGPOGPOGQTGPOGPOGPOGPO,32.8,91.03 +GPOGPOGPOGPLGPOGPOGPOGPO,32.7,90.16 +GPOGPOGPOGPGGPOGPOGPOGPO,32.7,89.92 +GPOGPOGPOGPLGPOGPOGPOGPO,32.7,90.16 +GPRGPRGPRGPRGPRGPRGPRGPR,32.6,86.23 +GPOGPOGPOGIIGPOGPOGPOGPO,32.6,87.06 +GPOGPOGPOGMQGPOGPOGPOGPO,32.6,92.32 +GPOGPOGPOGQKGPOGPOGPOGPO,32.6,89.78 +GPOGPOGPOGYPGPOGPOGPOGPO,32.5,79.2 +GPOGPOGPOGNIGPOGPOGPOGPO,32.5,83.29 +GPOGPOGPOGVAGPOGPOGPOGPO,32.5,82.55 +GPOGPOGPOGDEGPOGPOGPOGPO,32.5,88.61 +GPOGPOGPOGDTGPOGPOGPOGPO,32.5,89.33 +GPOGPOGPOGVKGPOGPOGPOGPO,32.5,81.39 +GPOGPOGPOGIQGPOGPOGPOGPO,32.4,89.42 +GPOGPOGPOGKRGKOGPOGPOGPOGG,32.3,91.37 +GPOGPOGPOGNQGPOGPOGPOGPO,32.3,88.86 +GPOGPOGPOGSIGPOGPOGPOGPO,32.2,83.92 +GPOGPOGPOGMAGPOGPOGPOGPO,32.2,87.42 +GPOGPOGPOGACGPOGPOGPOGPO,32.1,93.86 +GPAGPAGPAGPOGPOGPOGPOGPP,32.0,94.4 +GPOGPOGPOGSQGPOGPOGPOGPO,32.0,88.22 +GPOGPOGPOGVOGPOGPOGPOGPO,31.9,75.13 +GPOGPOGPOGWOGPOGPOGPOGPO,31.9,80.2 +GPOGPOGPOGNAGPOGPOGPOGPO,31.9,84.77 +GPOGPOGPOGKCGPOGPOGPOGPO,31.9,88.97 +GPOGPOGPOGHMGPOGPOGPOGPO,31.8,82.19 +GPOGPOGPOGPLGPOGPOGPOGPO,31.7,90.16 +GPOGPOGPOGFPGPOGPOGPOGPO,31.7,74.28 +GPOGPOGPOGYRGPOGPOGPOGPO,31.7,89.28 +GPOGPOGPOGLVGPOGPOGPOGPO,31.7,87.31 +GPOGPOGPOGMKGPOGPOGPOGPO,31.7,80.56 +GPOGPOGPOGPNGPOGPOGPOGPO,31.7,92.21 +GPOGPOGPOGKNGPOGPOGPOGPO,31.7,90.38 +GPOGPOGPOGTMGPOGPOGPOGPO,31.6,87.29 +GPOGPOGPOGDAGPOGPOGPOGPO,31.6,85.77 +GPOGPOGPOGSAGPOGPOGPOGPO,31.6,82.55 +GPOGPOGPOGVVGPOGPOGPOGPO,31.6,83.43 +GPOGAKGEOGDAGAKGDAGPOGPOGPOGPOGPO,31.5,93.05 +GPOGPOGPOGGPGPOGPOGPOGPO,31.4,69.72 +GPOGPOGPOGCMGPOGPOGPOGPO,31.4,87.15 +GPOGPOGPOGLEGPOGPOGPOGPO,31.4,90.24 +GPOGPOGPOGLTGPOGPOGPOGPO,31.4,88.86 +GPOGPOGPOGMVGPOGPOGPOGPO,31.3,78.38 +GPOGPOGPOGVEGPOGPOGPOGPO,31.3,90.41 +GPOGPOGPOGVTGPOGPOGPOGPO,31.3,87.99 +GPOGPOGPOGEHGPOGPOGPOGPO,31.3,90.71 +GPOGPOGPOGLAGPOGPOGPOGPO,31.2,83.96 +GPOGPOGPOGIVGPOGPOGPOGPO,31.1,84.36 +GPOGPOGPOGLKGPOGPOGPOGPO,31.1,86.64 +GPAGPAGPOGPOGPOGPOGPP,31.0,89.71 +GAAGPAGPOGPOGPOGPOGPP,31.0,90.52 +GPOGPOGAAGPAGAAGPAGPOGPOGPOGPOGPP,31.0,94.62 +GAAGPOGPOGPOGPOGPOGPP,31.0,91.47 +GPOGPOGPOGNVGPOGPOGPOGPO,31.0,84.39 +GPOGPOGPOGMEGPOGPOGPOGPO,31.0,91.35 +GPOGPOGPOGMTGPOGPOGPOGPO,31.0,88.9 +GPOGPOGPOGRCGPOGPOGPOGPO,31.0,92.03 +GPOGPOGPOGKKGPOGPOGPOGPO,31.0,89.83 +GPOGPOGPOGDKGPOGPOGPOGPO,30.9,86.98 +GPOGPOGPOGFRGPOGPOGPOGPO,30.9,90.39 +GPOGPOGPOGDKGPOGPOGPOGPO,30.9,86.98 +GARGPAGPQGPRGDKGETGPOGPOGPOGPOGV,30.8,94.71 +GPOGPOGPOGAKGPOGPOGPOGPO,30.8,85.67 +GPOGPOGPOGIEGPOGPOGPOGPO,30.8,92.25 +GPOGPOGPOGITGPOGPOGPOGPO,30.8,88.13 +GPOGPOGPOGQCGPOGPOGPOGPO,30.8,90.49 +GPOGPOGPOGAKGPOGPOGPOGPO,30.8,85.67 +GPOGPOGPOGHIGPOGPOGPOGPO,30.7,92.87 +GPOGPOGPOGSVGPOGPOGPOGPO,30.7,85.99 +GPOGPOGPOGNEGPOGPOGPOGPO,30.7,88.11 +GPOGPOGPOGNTGPOGPOGPOGPO,30.7,87.22 +GPOGPOGPOGGRGPOGPOGPOGPO,30.6,92.5 +GPOGPOGPOGESGPOGPOGPOGPO,30.6,88.57 +GPOGPOGPPGPOGPOGPO,30.5,92.86 +GPOGPOGPOGHQGPOGPOGPOGPO,30.5,90.0 +GPOGPOGPOGDCGPOGPOGPOGPO,30.5,85.88 +GPOGPOGPOGRSGPOGPOGPOGPO,30.5,91.36 +GPOGPOGPOGTIGPOGPOGPOGPO,30.4,87.66 +GPOGPOGPOGSEGPOGPOGPOGPO,30.4,88.5 +GPOGPOGPOGSTGPOGPOGPOGPO,30.4,89.43 +GPOGPOGPOGPVGPOGPOGPOGPO,30.3,90.81 +GPOGPOGPOGCIGPOGPOGPOGPO,30.3,87.62 +GPOGPOGPOGPYGPOGPOGPOGPO,30.2,91.91 +GPOGPOGPOGTQGPOGPOGPOGPO,30.2,85.27 +GPOGPOGPOGPYGPOGPOGPOGPO,30.2,91.91 +GPOGPOGPOGPDGPOGPOGPOGPO,30.1,85.38 +GPOGPOGPOGWPGPOGPOGPOGPO,30.1,77.96 +GPOGPOGPOGCQGPOGPOGPOGPO,30.1,86.27 +GPOGPOGPOGHAGPOGPOGPOGPO,30.1,74.05 +GPOGPOGPOGAHGPOGPOGPOGPO,30.1,84.46 +GPOGPOGROGRKGROGPOGPOGPOGPOGPOG,30.0,91.97 +GPOGPOGPKGQKGEKGPOGPOGPOGPO,30.0,94.34 +GPOGAAGPAGPOGPOGPOGPOGPP,30.0,92.57 +GPOGPOGPKGTOGPOGPOGPO,30.0,95.66 +GPOGPOGPOGPOGAKADAGPOGPOGPOGPOGPO,30.0,80.84 +GPOGPOGPOGKHGPOGPOGPOGPO,29.9,92.01 +GPOGPOGPOGTAGPOGPOGPOGPO,29.8,94.86 +GPOGPOGPOGCAGPOGPOGPOGPO,29.7,74.62 +GPOGPOGPOGEDGPOGPOGPOGPO,29.7,76.76 +GPOGPOGPOGYMGPOGPOGPOGPO,29.6,91.86 +GPOGPOGPOGLAGPOGPOGPOGPO,29.5,83.96 +GPOGPOGPOGRKGPOGPOGPOGPO,29.5,91.62 +GPOGPOGPOGENGPOGPOGPOGPO,29.5,92.2 +GPOGPOGPOGLCGPOGPOGPOGPO,29.4,87.52 +GPOGPOGPOGAAGPOGPOGPOGPO,29.3,81.64 +GPOGPOGPOGAAGPOGPOGPOGPO,29.3,81.64 +GPOGPOGPOGWRGPOGPOGPOGPO,29.3,93.44 +GPOGPOGPOGVCGPOGPOGPOGPO,29.3,85.18 +GPOGPOGPOGHVGPOGPOGPOGPO,29.2,89.41 +GPOGPOGPOGKSGPOGPOGPOGPO,29.2,90.99 +GPOGPOGPOGPOAPOGPOGPOGPOGPO,29.15,87.27 +GPOGPOGPOGMCGPOGPOGPOGPO,29.0,88.89 +GPOGPOGPOGRHGPOGPOGPOGPO,29.0,90.04 +GPOGPOGPOGPOAPOGPOGPOGPOGPO,29.0,87.27 +GPOGPOGPOGTVGPOGPOGPOGPO,28.9,87.28 +GPOGPOGPOGHEGPOGPOGPOGPO,28.9,72.85 +GPOGPOGPOGHTGPOGPOGPOGPO,28.9,82.12 +GPOGPOGPOGFMGPOGPOGPOGPO,28.8,82.57 +GPOGPOGPOGCVGPOGPOGPOGPO,28.8,85.0 +GPOGPOGPOGICGPOGPOGPOGPO,28.8,89.13 +GPOGPOGPOGQHGPOGPOGPOGPO,28.8,89.95 +GPOGPOGPOGNCGPOGPOGPOGPO,28.7,74.14 +GPOGPOGPOGTEGPOGPOGPOGPO,28.6,80.22 +GPOGPOGPOGTTGPOGPOGPOGPO,28.6,90.56 +GPOGPOGPOGGMGPOGPOGPOGPO,28.5,82.65 +GPOGPOGPOGYIGPOGPOGPOGPO,28.5,91.4 +GPOGPOGPOGCEGPOGPOGPOGPO,28.5,83.79 +GPOGPOGPOGCTGPOGPOGPOGPO,28.5,85.78 +GPOGPOGPOGDHGPOGPOGPOGPO,28.5,88.01 +GPOGPOGPOGEGGPOGPOGPOGPO,28.5,91.41 +GPOGIRGPKGQKGEOGLOGPOGPOGPOGPOGY,28.4,91.31 +GPOGPOGPOGSCGPOGPOGPOGPO,28.4,95.0 +GPOGPOGPOGPFGPOGPOGPOGPO,28.4,91.33 +GPOGPOGPOGPFGPOGPOGPOGPO,28.3,91.33 +GPOGPOGPOGPFGPOGPOGPOGPO,28.3,91.33 +GPOGPOGPOGYQGPOGPOGPOGPO,28.3,90.38 +GPOGPOGPOGELGPOGPOGPOGPO,28.3,86.36 +GPOGPOGPOGQSGPOGPOGPOGPO,28.1,79.03 +GPOGPOGPOGYAGPOGPOGPOGPO,27.9,79.99 +GPOGPOGPOGIKGPOGPOGPOGPO,27.9,86.39 +GPOGPOGPOGALGPOGPOGPOGPO,27.8,84.25 +GPOGPOGPOGNKGPOGPOGPOGPO,27.8,90.02 +GPOGPOGPOGDSGPOGPOGPOGPO,27.8,86.95 +GPOGPOGPOGALGPOGPOGPOGPO,27.8,84.25 +GPOGPOGPOGFIGPOGPOGPOGPO,27.7,89.57 +GPOGPOGPOGFQGPOGPOGPOGPO,27.5,91.19 +GPOGPOGPOGSKGPOGPOGPOGPO,27.5,87.11 +GPOGPOGPOGGIGPOGPOGPOGPO,27.4,80.06 +GPOGPOGPOGLHGPOGPOGPOGPO,27.4,89.89 +GPOGPOGPOGVHGPOGPOGPOGPO,27.3,91.17 +GPOGPOGPOGAGGPOGPOGPOGPO,27.3,90.18 +GPOGPOGPOGWMGPOGPOGPOGPO,27.2,95.24 +GPOGPOGPOGGQGPOGPOGPOGPO,27.2,79.76 +GPOGPOGPOGQDGPOGPOGPOGPO,27.1,90.41 +GPOGPOGPOGKGGPOGPOGPOGPO,27.1,95.15 +GPOGIAGPAGPOGPOGPOGPOGPP,27.0,92.44 +GPOGPOGPOGYVGPOGPOGPOGPO,27.0,89.74 +GPOGPOGPOGMHGPOGPOGPOGPO,27.0,89.23 +GPAGPAGPVGPAGARGPAGPOGPOGPOGPO,27.0,95.56 +GPOGPOGROGKRGKOGPOGPOGPOGG,26.9,93.75 +GPOGPOGPOGHCGPOGPOGPOGPO,26.9,91.31 +GPOGPOGPOGGKGPOGPOGPOGPO,26.9,89.71 +GPOGPOGPOGKLGPOGPOGPOGPO,26.9,91.77 +GPOGPOGPOGLLGPOGPOGPOGPO,26.9,87.98 +GPOGPOGPOGIHGPOGPOGPOGPO,26.8,92.07 +GPOGPOGPOGDDGPOGPOGPOGPO,26.8,85.44 +GPOGPOGPOGYEGPOGPOGPOGPO,26.7,86.83 +GPOGPOGPOGYTGPOGPOGPOGPO,26.7,90.24 +GPOGPOGPOGNHGPOGPOGPOGPO,26.7,87.97 +GPOGPOGPOGLSGPOGPOGPOGPO,26.7,89.65 +GPOGPOGPOGTCGPOGPOGPOGPO,26.6,94.2 +GPOGPOGPOGVSGPOGPOGPOGPO,26.6,87.24 +GPOGPOGPOGCCGPOGPOGPOGPO,26.5,90.12 +GPAGPAGPVGPAGARGPAGPOGPOGPOGPO,26.5,95.52 +GPOGPOGPOGSHGPOGPOGPOGPO,26.4,87.41 +GPOGPOGPOGMSGPOGPOGPOGPO,26.3,90.38 +GPOGPOGPOGFVGPOGPOGPOGPO,26.2,88.16 +GPOGPOGPOGRGGPOGPOGPOGPO,26.2,91.61 +GPOGPOGPOGPWGPOGPOGPOGPO,26.1,92.85 +GPOGPOGPOGWIGPOGPOGPOGPO,26.1,85.31 +GPOGPOGPOGISGPOGPOGPOGPO,26.1,90.24 +GPOGPOGPOGANGPOGPOGPOGPO,26.1,90.66 +GPOGPOGPOGPWGPOGPOGPOGPO,26.1,92.85 +GPAGPAGPVGPAGARGPAGPOGPOGPOGPOGV,26.0,96.22 +GPOGPOGPOGPOGPAGPAGPVGPAGARGPAGV,26.0,90.21 +GAAGPAGAAGPAGPOGPOGPOGPOGPP,26.0,94.9 +GPOGAAGPAGAAGPAGPOGPOGPOGPOGPP,26.0,94.59 +GIAGPAGPOGPOGPOGPOGPP,26.0,93.35 +GPOGPOGPOGGAGPOGPOGPOGPO,26.0,78.82 +GPOGPOGPOGHKGPOGPOGPOGPO,26.0,86.26 +GPOGPOGPOGNSGPOGPOGPOGPO,26.0,89.2 +GPOGPOGPOGQGGPOGPOGPOGPO,26.0,92.7 +GPOGPOGPOGRLGPOGPOGPOGPO,26.0,92.89 +GAOGERGPOGLAGAOGLRGPOGPOGPOGPOGV,25.9,90.76 +GPOGPOGPOGWQGPOGPOGPOGPO,25.9,93.29 +GPOGPOGPOGGVGPOGPOGPOGPO,25.9,87.7 +GPOGPOGPOGFEGPOGPOGPOGPO,25.9,89.1 +GPOGPOGPOGFTGPOGPOGPOGPO,25.9,87.78 +GPOGPOGPOGQLGPOGPOGPOGPO,25.8,88.86 +GPOGPOGPOGEYGPOGPOGPOGPO,25.8,91.48 +GPOGPOGPOGTKGPOGPOGPOGPO,25.7,87.8 +GPOGPOGPOGSSGPOGPOGPOGPO,25.7,83.0 +GPOGPOGPOGDGGPOGPOGPOGPO,25.7,91.63 +GPOGPOGPOGGEGPOGPOGPOGPO,25.6,80.12 +GPOGPOGPOGGTGPOGPOGPOGPO,25.6,85.31 +GPOGPOGPOGCKGPOGPOGPOGPO,25.6,88.8 +GPOGPOGPOGVDGPOGPOGPOGPO,25.6,82.5 +GPOGPOGPOGWAGPOGPOGPOGPO,25.5,89.57 +GPOGPOGPOGDLGPOGPOGPOGPO,25.5,83.36 +GLAGEOGKOGIOGLOGRAGPOGPOGPOGPOGV,25.4,83.11 +GPOGPOGPOGMDGPOGPOGPOGPO,25.3,81.55 +GPOGPOGPOGGLGPOGPOGPOGPO,25.3,81.9 +GPOGPOGPOGIDGPOGPOGPOGPO,25.1,86.01 +GSOGAQGLQGPRGLOGTOGPOGPOGPOGPOGV,25.0,94.02 +GPAGAAGPAGPOGPOGPOGPOGPP,25.0,93.78 +GPOGPOGPOGNDGPOGPOGPOGPO,25.0,85.95 +GPOGPOGPOGRNGPOGPOGPOGPO,25.0,91.31 +GDRGETGPAGPAGPVGPAGARGPOGPOGPOGPO,25.0,94.4 +GPOGPOGPOGHHGPOGPOGPOGPO,24.9,87.15 +GPOGPOGPOGQNGPOGPOGPOGPO,24.8,89.8 +GPOGPOGPOGYCGPOGPOGPOGPO,24.7,92.7 +GPOGPOGPOGSDGPOGPOGPOGPO,24.7,83.41 +GPOGPOGPOGWVGPOGPOGPOGPO,24.6,80.24 +GPOGPOGPOGTHGPOGPOGPOGPO,24.6,86.33 +GPOGPOGPOGLGGPOGPOGPOGPO,24.6,87.7 +GPOGPOGPOGAYGPOGPOGPOGPO,24.6,94.84 +GPOGPOGPOGCHGPOGPOGPOGPO,24.5,85.53 +GPOGPOGPOGVGGPOGPOGPOGPO,24.5,89.75 +GPOGPOGPOGDNGPOGPOGPOGPO,24.5,92.95 +GPOGPOGPOGKYGPOGPOGPOGPO,24.4,92.03 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERSFPGERGVQGPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,24.4,56.21 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERVFPGERGVQGPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,24.4,59.77 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERGFPGERGVQAPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,24.4,55.03 +GPOGPOGPOGWEGPOGPOGPOGPO,24.3,90.62 +GPOGPOGPOGWTGPOGPOGPOGPO,24.3,92.36 +GPOGPOGPOGVLGPOGPOGPOGPO,24.3,88.24 +GPOGPOGPOGHSGPOGPOGPOGPO,24.2,88.8 +GPOGPOGPOGMGGPOGPOGPOGPO,24.2,91.79 +GPAGPAGPVGPAGARGPAGPOGPOGAOGPOGV,24.1,96.11 +GPOGPOGPOGFAGPOGPOGPOGPO,24.1,76.99 +GPOGPOGPOGIGGPOGPOGPOGPO,24.0,90.86 +GPOGPOGPOGMLGPOGPOGPOGPO,24.0,89.25 +GPOGPOGPOGEFGPOGPOGPOGPO,24.0,89.54 +GPOGPOGROGKRGKQGQKGPOGPOGPOGPOG,23.9,95.06 +GPOGPOGPOGFCGPOGPOGPOGPO,23.9,88.04 +GPOGPOGPOGTSGPOGPOGPOGPO,23.9,90.01 +GPOGPOGPOGNGGPOGPOGPOGPO,23.9,90.66 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERGFPAERGVQGPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,23.9,60.01 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERGFPSERGVQGPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,23.9,60.12 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERGFPVERGVQGPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,23.9,57.94 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERGFPGERGVQSPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,23.9,57.25 +GPOGPOGPOGYKGPOGPOGPOGPO,23.8,91.13 +GPOGPOGPOGCSGPOGPOGPOGPO,23.8,87.14 +GPOGPOGPOGILGPOGPOGPOGPO,23.8,88.79 +GPOGPOGPOGNLGPOGPOGPOGPO,23.7,82.73 +GPOGPOGPOGGCGPOGPOGPOGPO,23.6,87.48 +GPOGPOGPOGSGGPOGPOGPOGPO,23.6,87.19 +GPOGPOGPOGRYGPOGPOGPOGPO,23.5,91.6 +GPOGPOGPOGFAGPOGPOGPOGPO,23.4,76.99 +GPOGPOGPOGSLGPOGPOGPOGPO,23.4,91.22 +GPOGPOGPOGLNGPOGPOGPOGPO,23.4,91.57 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERGFPGERAVQGPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,23.4,59.79 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERGFPGERSVQGPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,23.4,54.96 +GQDGRNGERGEQGPTGPTGPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLQGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGARGERGFPGERVVQGPPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGLPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,23.4,55.33 +GPOGROGRRGROGLKGEQGPOGPOGPOGPOGY,23.3,92.65 +GPOGPOGPOGVNGPOGPOGPOGPO,23.3,90.52 +GPOGPOGPOGQYGPOGPOGPOGPO,23.3,92.8 +GPAGPAGPVGPAGARGPAGPOGPAGPOGPOGV,23.2,95.94 +GDAGAOGERGPOGLAGAOGPOGPOGPOGPOGV,23.2,94.87 +GERGERGEKGERGEQGRDGPOGPOGPOGPOGV,23.2,91.52 +GPOGPOGPOGHDGPOGPOGPOGPO,23.2,71.5 +GINGFOGKDGRDGTKGEKGEOGPOGPOGPOGPOGG,23.0,93.81 +GAAGAAGPAGPOGPOGPOGPOGPP,23.0,89.2 +GPOGPOGPOGFKGPOGPOGPOGPO,23.0,90.06 +GPOGPOGPOGMNGPOGPOGPOGPO,23.0,87.92 +GPOGPOGPOGDYGPOGPOGPOGPO,23.0,87.47 +GPOGPOGPOGTDGPOGPOGPOGPO,22.9,86.74 +GPOGPOGPOGCDGPOGPOGPOGPO,22.8,77.88 +GPOGPOGPOGINGPOGPOGPOGPO,22.8,92.06 +GPOGPOGPOGYHGPOGPOGPOGPO,22.7,88.87 +GPOGPOGPOGNNGPOGPOGPOGPO,22.7,90.59 +GPOGPOGPOGKFGPOGPOGPOGPO,22.6,91.38 +GPOGPOGPOGSNGPOGPOGPOGPO,22.4,92.35 +GPOGPOGPOGWCGPOGPOGPOGPO,22.3,93.33 +GPOGPOGPOGRKGROGPOGPOGPOGG,22.2,89.69 +GPOGPOGPOGHGGPOGPOGPOGPO,22.1,85.54 +GPOGPOGPOGYSGPOGPOGPOGPO,22.0,92.48 +GPOGPOGPOGFHGPOGPOGPOGPO,21.9,89.12 +GPOGPOGPOGHLGPOGPOGPOGPO,21.9,92.69 +GPOGPOGPOGLYGPOGPOGPOGPO,21.9,88.35 +GPOGPOGPOGAFGPOGPOGPOGPO,21.9,92.86 +GPOGPOGPOGTGGPOGPOGPOGPO,21.8,88.17 +GPOGPOGPOGVYGPOGPOGPOGPO,21.8,90.18 +GPOGPOGPOGCGGPOGPOGPOGPO,21.7,90.07 +GPOGPOGPOGRFGPOGPOGPOGPO,21.7,92.57 +GPOGPOGPOGEWGPOGPOGPOGPO,21.7,90.3 +GPOGPOGPOGGHGPOGPOGPOGPO,21.6,83.38 +GPOGPOGPOGTLGPOGPOGPOGPO,21.6,94.82 +GPOGPOGPOGCLGPOGPOGPOGPO,21.5,88.22 +GPOGPOGPOGMYGPOGPOGPOGPO,21.5,91.28 +GPOGPOGPOGQFGPOGPOGPOGPO,21.5,93.5 +GPOGPOGPOGWKGPOGPOGPOGPO,21.4,93.58 +GPOGPOGROGKRGKQGPOGPOGPOGG,21.3,90.72 +GPOGPOGPOGIYGPOGPOGPOGPO,21.3,90.53 +GPOGPOGPOGFSGPOGPOGPOGPO,21.2,91.46 +GPOGPOGPOGNYGPOGPOGPOGPO,21.2,90.22 +GPOGPOGPOGDFGPOGPOGPOGPO,21.2,85.7 +GPAGPOGPOGPOGPOGPP,21.0,93.29 +GSOGPOGPOGPOGPOGPP,21.0,93.88 +GPOGPOGPOGPOGPOGPP,21.0,93.21 +GPOGPOGPOGYDGPOGPOGPOGPO,21.0,75.95 +GGKGDAGAOGERGPOGLAGPOGPOGPOGPOGV,20.9,90.43 +GPOGPOGPOGGSGPOGPOGPOGPO,20.9,87.99 +GPOGPOGPOGHNGPOGPOGPOGPO,20.9,90.74 +GPOGPOGPOGSYGPOGPOGPOGPO,20.9,89.19 +GPOGPOGPOGAFGPOGPOGPOGPO,20.7,92.86 +GPAGPAGPVGPAGARGPAGPOGPOGPOGPOGY,20.6,95.57 +GPOGPOGPOGTNGPOGPOGPOGPO,20.6,87.37 +GPOGPOGPOGCNGPOGPOGPOGPO,20.5,87.24 +GPOGPOGPOGWHGPOGPOGPOGPO,20.3,89.47 +GPOGPOGPOGKWGPOGPOGPOGPO,20.3,86.63 +GPOGPOGPOGFDGPOGPOGPOGPO,20.2,80.28 +GPOGPOGRQGKRGKOGPOGPOGPOGG,20.1,91.63 +GPOGPOGPOGLFGPOGPOGPOGPO,20.1,89.13 +GPOGPOGPOGVFGPOGPOGPOGPO,20.0,88.34 +GPAGPAGPVGPAGARGPAGPOGPOGPOGPO,20.0,95.52 +GPOGPOGPOGGDGPOGPOGPOGPO,19.9,80.91 +GPOGPOGPOGYGGPOGPOGPOGPO,19.9,90.32 +GROGKRGKOGVRGPRGPOGPOGPOGPO,19.7,93.85 +GPOGPOGPOGYLGPOGPOGPOGPO,19.7,87.66 +GPOGPOGPOGMFGPOGPOGPOGPO,19.7,89.75 +GPOGPOGPOGGFGPOGPOGPOGPO,19.7,83.7 +GPOGPOGPOGWSGPOGPOGPOGPO,19.6,91.41 +GPOGPOGPOGIFGPOGPOGPOGPO,19.5,89.95 +GPOGPOGPOGHYGPOGPOGPOGPO,19.4,84.32 +GPOGPOGPOGNFGPOGPOGPOGPO,19.4,88.44 +GPOGPOGPOGRWGPOGPOGPOGPO,19.4,91.88 +GOTGOTGOTGOTGOTGOTGOTGOTGOTGOT,19.2,86.73 +GPOGPOGPOGQWGPOGPOGPOGPO,19.2,93.34 +GPOGPOGPOGFGGPOGPOGPOGPO,19.1,93.97 +GPOGPOGPOGTYGPOGPOGPOGPO,19.1,86.91 +GPOGPOGPOGSFGPOGPOGPOGPO,19.1,87.27 +GPOGPOGPOGCYGPOGPOGPOGPO,19.0,88.46 +GPOGPOGPOGFLGPOGPOGPOGPO,18.9,89.61 +GPOGPOGPOGDWGPOGPOGPOGPO,18.9,90.76 +GPOGPOGPOGGGGPOGPOGPOGPO,18.8,75.81 +GPOGPOGPOGYNGPOGPOGPOGPO,18.7,89.65 +GROGAAGAOGVRGPRGPOGPOGPOGPO,18.6,94.87 +GPOGPOGPOGWDGPOGPOGPOGPO,18.6,86.08 +GPOGPOGPOGPOAGPOGPOGPOGPOGPO,18.55,78.98 +GPOGPOGITGARGLAGPOGPOGPOGPO,18.0,90.95 +GFOGKDGRDGTKGEKGEOGPOGPOGPOGPOGY,17.9,93.77 +GPOGPOGPOGFNGPOGPOGPOGPO,17.9,87.1 +GPOGPOGPOGLWGPOGPOGPOGPO,17.8,92.82 +GPOGPOGPOGVWGPOGPOGPOGPO,17.7,91.63 +GPOGPOGPOGGNGPOGPOGPOGPO,17.6,91.18 +GPOGPOGPOGHFGPOGPOGPOGPO,17.6,82.95 +GLAGAOGLRGGAGPOGPEGPOGPOGPOGPOGV,17.5,92.93 +GPOGPOGPOGWGGPOGPOGPOGPO,17.5,94.12 +GPOGPOGROGRKGROGPOGPOGPOGG,17.4,90.09 +GPOGPOGPOGMWGPOGPOGPOGPO,17.4,93.3 +GPOGPOGPOGWLGPOGPOGPOGPO,17.3,94.63 +GPOGPOGPOGTFGPOGPOGPOGPO,17.3,87.13 +GPOGPOGPOGYYGPOGPOGPOGPO,17.2,90.9 +GPOGPOGPOGCFGPOGPOGPOGPO,17.2,90.43 +GPOGPOGPOGIWGPOGPOGPOGPO,17.2,91.9 +GPOGPOGPOGNWGPOGPOGPOGPO,17.1,87.96 +GPOGPOGPOGSWGPOGPOGPOGPO,16.8,89.2 +GPOGPOGPOGPGPOGPOGPOGPOGPO,16.65,84.11 +GERGPOGLAGAOGLRGGAGPOGPOGPOGPOGV,16.5,92.3 +GPOGPOGPOGFYGPOGPOGPOGPO,16.4,88.74 +GPOGPOGPOGWNGPOGPOGPOGPO,16.3,90.52 +GPOGPOGPOGGYGPOGPOGPOGPO,16.1,81.72 +GPAGPAGPVSPAGARGPAGPOGPOGPOGPO,16.0,95.97 +GPAGPAGPVAPAGARGPAGPOGPOGPOGPO,16.0,95.66 +GPOGLAGAOGLRGGAGPOGPOGPOGPOGPOGV,15.8,93.9 +GROGRKGROGVRGPRGPOGPOGPOGPO,15.5,93.66 +GPOGPOGPOGYFGPOGPOGPOGPO,15.4,90.19 +GPOGPOGPOGHWGPOGPOGPOGPO,15.3,88.91 +GPOGPOGPOGTWGPOGPOGPOGPO,15.0,89.28 +GPOGAOGAOGAOGPVAPAGARGPOGPOGPOGPO,15.0,90.42 +GPOGPOGPOGCWGPOGPOGPOGPO,14.9,91.54 +GPOGPOGPOGWYGPOGPOGPOGPO,14.8,92.01 +GPOGPOGPOGFFGPOGPOGPOGPO,14.6,90.17 +GPAGPAGPVGPAGARGPAGPOGAOGAOGAO,14.0,95.11 +GPOGPOGPOGYWGPOGPOGPOGPO,13.1,90.75 +GPOGPOGPOGWFGPOGPOGPOGPO,13.0,92.96 +GPOGPOGPOGFWGPOGPOGPOGPO,12.3,90.17 +GPSGPRGLOGPOGAOGPQGFQGPOGEOGPOGASGPM,12.0,90.48 +GPOGPOGPOGPOGPP,12.0,91.78 +GPOGPOGPOGGWGPOGPOGPOGPO,12.0,82.17 +GPOGAKGEOGDAGAKADAGPOGPOGPOGPOGPO,12.0,85.56 +GAOGRKGROGVAGPAGPOGPOGPOGPO,11.0,93.81 +GPOGPOGPOGWWGPOGPOGPOGPO,10.7,94.57 +GPOGPOGPOAPOGPOGPOGPOGPO,9.9,95.71 +GROGKRGKTGLKGDIGPOGPOGPOGPO,9.8,93.38 +GPOGPOGPOSPOGPOGPOGPOGPO,8.6,93.41 +GPOGPOGROGKRGKQGQKGPOGPOGG,8.1,93.94 +GLOGMLGQKGEMGPKGPOGPOGPOGPO,7.0,93.35 +GDRGETGPAGPAGPVAPAGARGPOGPOGPOGPO,7.0,94.85 +GLPGPRGEQGPTGPMRPAGPRGLQGLQGLQGERGEQGPTGPAGPRGLPGERGEQGPTGLAGKAGEAGAKGETGPAGPQGPRGEQGPQGLPGKDGEAGAQGPAGPMGPAGERGEKGEPGTQGAKGDRGETGPVGPRGERGEAGPAGKDGERGPVGPAGKDGQNGQDGLPGKDGKDGQNGKDGPGKDGKDGQNGKDGLPGKDGKDGQDGKDGLPGKDGKDGLPGKDGKDGQPGKPGKY,6.7,63.57 +GPPGPPGPPGPPGPPGPP,6.5,85.97 +GPAGPAGPVGPAGARGPAGPOGPOAPOGPO,6.0,95.42 +GFOGAAGRTGPOGPSGISGPOGPOGPOGPOGV,4.0,94.64 +GPOGAOGPLGIAGITGARGLAGPOGPOGPOGPOGG,4.0,92.81 +GPRGNRGERGSEGSOGHOGQOGPOGPOGAOGV,4.0,91.75 +GPOGPOGPOGLDGPOGPOGPOGPO,2.7,74.87 +GPOGPOGPOGAWGPOGPOGPOGPO,2.5,90.91 +GPOGPOGPOCPOGPOGPOGPOGPO,-3.0,91.63 +GPOGPOGPORPOGPOGPOGPOGPO,-7.0,97.09 +GPOGPOGPOVPOGPOGPOGPOGPO,-10.0,95.37 +GPOGPOGPOEPOGPOGPOGPOGPO,-16.0,96.43 +GPOGPOGPODPOGPOGPOGPOGPO,-17.0,94.02 diff --git a/protein_pdb_1.txt b/protein_pdb_1.txt new file mode 100644 index 0000000000000000000000000000000000000000..845f5ec1bee518da996073a439a5e906268687fe --- /dev/null +++ b/protein_pdb_1.txt @@ -0,0 +1,227 @@ +ATOM 1 N GLY A 1 3.753 41.510 -31.202 1.00 85.63 N +ATOM 2 CA GLY A 1 2.380 41.184 -30.809 1.00 87.40 C +ATOM 3 C GLY A 1 2.279 40.855 -29.336 1.00 88.62 C +ATOM 4 O GLY A 1 3.301 40.718 -28.665 1.00 84.87 O +ATOM 5 N PRO A 2 1.073 40.688 -28.787 1.00 90.04 N +ATOM 6 CA PRO A 2 0.898 40.374 -27.369 1.00 90.65 C +ATOM 7 C PRO A 2 1.343 38.950 -27.057 1.00 90.51 C +ATOM 8 O PRO A 2 1.379 38.087 -27.927 1.00 86.75 O +ATOM 9 CB PRO A 2 -0.599 40.561 -27.137 1.00 86.31 C +ATOM 10 CG PRO A 2 -1.209 40.271 -28.463 1.00 83.06 C +ATOM 11 CD PRO A 2 -0.222 40.823 -29.458 1.00 84.69 C +HETATM 12 N HYP A 3 1.665 38.713 -25.840 1.00 90.96 N +HETATM 13 CA HYP A 3 2.026 37.400 -25.375 1.00 90.37 C +HETATM 14 C HYP A 3 0.847 36.382 -25.549 1.00 89.46 C +HETATM 15 O HYP A 3 -0.333 36.767 -25.515 1.00 91.20 O +HETATM 16 CB HYP A 3 2.294 37.575 -23.869 1.00 87.86 C +HETATM 17 CG HYP A 3 2.600 39.015 -23.731 1.00 86.19 C +HETATM 18 CD HYP A 3 1.732 39.672 -24.806 1.00 89.79 C +HETATM 19 OD1 HYP A 3 3.955 39.301 -24.010 1.00 88.21 O +ATOM 20 N GLY A 4 1.221 35.125 -25.747 1.00 95.04 N +ATOM 21 CA GLY A 4 0.215 34.108 -25.910 1.00 93.99 C +ATOM 22 C GLY A 4 -0.499 33.823 -24.593 1.00 94.40 C +ATOM 23 O GLY A 4 -0.103 34.328 -23.538 1.00 93.45 O +ATOM 24 N PRO A 5 -1.558 33.003 -24.635 1.00 94.92 N +ATOM 25 CA PRO A 5 -2.315 32.672 -23.424 1.00 94.48 C +ATOM 26 C PRO A 5 -1.506 31.770 -22.501 1.00 94.71 C +ATOM 27 O PRO A 5 -0.543 31.131 -22.915 1.00 93.59 O +ATOM 28 CB PRO A 5 -3.563 31.966 -23.956 1.00 91.93 C +ATOM 29 CG PRO A 5 -3.091 31.342 -25.220 1.00 89.88 C +ATOM 30 CD PRO A 5 -2.116 32.337 -25.812 1.00 92.86 C +HETATM 31 N HYP A 6 -1.902 31.731 -21.246 1.00 95.76 N +HETATM 32 CA HYP A 6 -1.277 30.807 -20.301 1.00 95.25 C +HETATM 33 C HYP A 6 -1.406 29.355 -20.730 1.00 95.77 C +HETATM 34 O HYP A 6 -2.370 28.979 -21.385 1.00 94.26 O +HETATM 35 CB HYP A 6 -2.016 31.079 -18.966 1.00 93.19 C +HETATM 36 CG HYP A 6 -2.489 32.489 -19.103 1.00 91.18 C +HETATM 37 CD HYP A 6 -2.841 32.576 -20.596 1.00 94.43 C +HETATM 38 OD1 HYP A 6 -1.475 33.414 -18.804 1.00 90.63 O +ATOM 39 N GLY A 7 -0.393 28.554 -20.380 1.00 96.62 N +ATOM 40 CA GLY A 7 -0.383 27.165 -20.755 1.00 96.16 C +ATOM 41 C GLY A 7 -1.461 26.372 -20.026 1.00 96.50 C +ATOM 42 O GLY A 7 -2.114 26.884 -19.110 1.00 96.22 O +ATOM 43 N PRO A 8 -1.647 25.105 -20.408 1.00 96.10 N +ATOM 44 CA PRO A 8 -2.658 24.269 -19.771 1.00 95.89 C +ATOM 45 C PRO A 8 -2.258 23.903 -18.350 1.00 96.42 C +ATOM 46 O PRO A 8 -1.091 23.986 -17.975 1.00 95.78 O +ATOM 47 CB PRO A 8 -2.726 23.041 -20.680 1.00 94.09 C +ATOM 48 CG PRO A 8 -1.361 22.961 -21.259 1.00 92.57 C +ATOM 49 CD PRO A 8 -0.940 24.398 -21.466 1.00 94.93 C +HETATM 50 N HYP A 9 -3.219 23.473 -17.568 1.00 96.68 N +HETATM 51 CA HYP A 9 -2.940 23.002 -16.223 1.00 96.69 C +HETATM 52 C HYP A 9 -2.011 21.819 -16.200 1.00 96.18 C +HETATM 53 O HYP A 9 -1.972 21.035 -17.118 1.00 95.54 O +HETATM 54 CB HYP A 9 -4.351 22.590 -15.658 1.00 94.61 C +HETATM 55 CG HYP A 9 -5.313 23.385 -16.464 1.00 93.03 C +HETATM 56 CD HYP A 9 -4.617 23.445 -17.827 1.00 95.25 C +HETATM 57 OD1 HYP A 9 -5.479 24.696 -15.970 1.00 90.50 O +ATOM 58 N GLY A 10 -1.180 21.723 -15.123 1.00 97.00 N +ATOM 59 CA GLY A 10 -0.225 20.656 -14.996 1.00 96.58 C +ATOM 60 C GLY A 10 -0.906 19.304 -14.812 1.00 97.11 C +ATOM 61 O GLY A 10 -2.126 19.227 -14.636 1.00 97.16 O +ATOM 62 N PRO A 11 -0.124 18.227 -14.839 1.00 97.02 N +ATOM 63 CA PRO A 11 -0.685 16.886 -14.680 1.00 97.06 C +ATOM 64 C PRO A 11 -1.132 16.647 -13.244 1.00 97.40 C +ATOM 65 O PRO A 11 -0.718 17.337 -12.318 1.00 97.06 O +ATOM 66 CB PRO A 11 0.468 15.969 -15.071 1.00 95.85 C +ATOM 67 CG PRO A 11 1.672 16.770 -14.709 1.00 94.50 C +ATOM 68 CD PRO A 11 1.316 18.193 -15.047 1.00 96.24 C +HETATM 69 N HYP A 12 -1.968 15.685 -13.063 1.00 97.25 N +HETATM 70 CA HYP A 12 -2.379 15.258 -11.712 1.00 97.08 C +HETATM 71 C HYP A 12 -1.229 14.867 -10.875 1.00 96.47 C +HETATM 72 O HYP A 12 -0.266 14.326 -11.391 1.00 95.51 O +HETATM 73 CB HYP A 12 -3.365 14.097 -11.944 1.00 95.70 C +HETATM 74 CG HYP A 12 -3.864 14.266 -13.351 1.00 94.84 C +HETATM 75 CD HYP A 12 -2.655 14.906 -14.041 1.00 96.32 C +HETATM 76 OD1 HYP A 12 -4.959 15.165 -13.421 1.00 93.26 O +ATOM 77 N GLY A 13 -1.287 15.104 -9.550 1.00 97.24 N +ATOM 78 CA GLY A 13 -0.228 14.764 -8.635 1.00 96.66 C +ATOM 79 C GLY A 13 -0.018 13.253 -8.549 1.00 96.90 C +ATOM 80 O GLY A 13 -0.820 12.471 -9.059 1.00 96.93 O +ATOM 81 N PRO A 14 1.071 12.834 -7.878 1.00 96.97 N +ATOM 82 CA PRO A 14 1.347 11.408 -7.751 1.00 96.46 C +ATOM 83 C PRO A 14 0.360 10.718 -6.825 1.00 96.26 C +ATOM 84 O PRO A 14 -0.267 11.339 -5.961 1.00 94.95 O +ATOM 85 CB PRO A 14 2.767 11.374 -7.190 1.00 94.89 C +ATOM 86 CG PRO A 14 2.851 12.637 -6.411 1.00 94.04 C +ATOM 87 CD PRO A 14 2.078 13.652 -7.224 1.00 96.04 C +ATOM 88 N GLN A 15 0.240 9.392 -6.991 1.00 96.32 N +ATOM 89 CA GLN A 15 -0.637 8.599 -6.143 1.00 96.04 C +ATOM 90 C GLN A 15 -0.131 8.650 -4.701 1.00 96.36 C +ATOM 91 O GLN A 15 1.072 8.628 -4.454 1.00 94.82 O +ATOM 92 CB GLN A 15 -0.668 7.153 -6.654 1.00 94.13 C +ATOM 93 CG GLN A 15 -1.601 6.242 -5.867 1.00 89.84 C +ATOM 94 CD GLN A 15 -1.676 4.850 -6.444 1.00 85.42 C +ATOM 95 OE1 GLN A 15 -0.951 4.506 -7.373 1.00 81.10 O +ATOM 96 NE2 GLN A 15 -2.554 4.026 -5.899 1.00 77.60 N +ATOM 97 N GLY A 16 -1.057 8.746 -3.755 1.00 96.57 N +ATOM 98 CA GLY A 16 -0.690 8.803 -2.354 1.00 95.95 C +ATOM 99 C GLY A 16 -0.080 7.496 -1.871 1.00 96.30 C +ATOM 100 O GLY A 16 -0.124 6.480 -2.559 1.00 96.12 O +ATOM 101 N PRO A 17 0.487 7.492 -0.654 1.00 96.25 N +ATOM 102 CA PRO A 17 1.102 6.280 -0.119 1.00 96.16 C +ATOM 103 C PRO A 17 0.052 5.224 0.207 1.00 96.44 C +ATOM 104 O PRO A 17 -1.119 5.528 0.446 1.00 94.97 O +ATOM 105 CB PRO A 17 1.822 6.768 1.143 1.00 94.52 C +ATOM 106 CG PRO A 17 1.006 7.942 1.570 1.00 92.71 C +ATOM 107 CD PRO A 17 0.592 8.613 0.282 1.00 94.31 C +ATOM 108 N GLY A 18 0.494 3.970 0.209 1.00 95.11 N +ATOM 109 CA GLY A 18 -0.411 2.889 0.538 1.00 95.69 C +ATOM 110 C GLY A 18 -0.839 2.947 1.990 1.00 96.01 C +ATOM 111 O GLY A 18 -0.163 3.541 2.831 1.00 94.34 O +ATOM 112 N GLY A 19 -1.964 2.326 2.290 1.00 96.60 N +ATOM 113 CA GLY A 19 -2.463 2.296 3.654 1.00 96.21 C +ATOM 114 C GLY A 19 -1.593 1.429 4.551 1.00 96.66 C +ATOM 115 O GLY A 19 -0.732 0.688 4.074 1.00 96.66 O +ATOM 116 N PRO A 20 -1.812 1.489 5.878 1.00 96.46 N +ATOM 117 CA PRO A 20 -1.016 0.693 6.804 1.00 96.28 C +ATOM 118 C PRO A 20 -1.360 -0.793 6.712 1.00 96.52 C +ATOM 119 O PRO A 20 -2.444 -1.156 6.249 1.00 95.95 O +ATOM 120 CB PRO A 20 -1.382 1.269 8.180 1.00 94.36 C +ATOM 121 CG PRO A 20 -2.780 1.740 7.988 1.00 93.09 C +ATOM 122 CD PRO A 20 -2.811 2.305 6.589 1.00 95.17 C +ATOM 123 N PRO A 21 -0.453 -1.670 7.153 1.00 94.99 N +ATOM 124 CA PRO A 21 -0.754 -3.101 7.141 1.00 94.98 C +ATOM 125 C PRO A 21 -1.922 -3.407 8.067 1.00 95.39 C +ATOM 126 O PRO A 21 -2.157 -2.707 9.051 1.00 93.76 O +ATOM 127 CB PRO A 21 0.539 -3.761 7.652 1.00 93.19 C +ATOM 128 CG PRO A 21 1.598 -2.744 7.410 1.00 90.67 C +ATOM 129 CD PRO A 21 0.921 -1.414 7.611 1.00 93.12 C +ATOM 130 N GLY A 22 -2.641 -4.466 7.749 1.00 96.48 N +ATOM 131 CA GLY A 22 -3.750 -4.883 8.587 1.00 95.68 C +ATOM 132 C GLY A 22 -3.246 -5.451 9.904 1.00 96.25 C +ATOM 133 O GLY A 22 -2.056 -5.733 10.056 1.00 96.45 O +ATOM 134 N PRO A 23 -4.142 -5.644 10.893 1.00 95.42 N +ATOM 135 CA PRO A 23 -3.740 -6.183 12.189 1.00 95.19 C +ATOM 136 C PRO A 23 -3.394 -7.668 12.091 1.00 95.52 C +ATOM 137 O PRO A 23 -3.810 -8.351 11.167 1.00 95.13 O +ATOM 138 CB PRO A 23 -4.960 -5.942 13.071 1.00 93.05 C +ATOM 139 CG PRO A 23 -6.100 -5.996 12.115 1.00 91.75 C +ATOM 140 CD PRO A 23 -5.574 -5.342 10.859 1.00 93.98 C +HETATM 141 N HYP A 24 -2.670 -8.193 13.067 1.00 95.37 N +HETATM 142 CA HYP A 24 -2.334 -9.582 13.147 1.00 94.37 C +HETATM 143 C HYP A 24 -3.593 -10.435 13.246 1.00 94.49 C +HETATM 144 O HYP A 24 -4.607 -10.004 13.784 1.00 93.01 O +HETATM 145 CB HYP A 24 -1.498 -9.688 14.397 1.00 93.81 C +HETATM 146 CG HYP A 24 -0.886 -8.323 14.529 1.00 90.37 C +HETATM 147 CD HYP A 24 -1.985 -7.422 14.052 1.00 94.43 C +HETATM 148 OD1 HYP A 24 0.253 -8.170 13.717 1.00 92.27 O +ATOM 149 N GLY A 25 -3.546 -11.605 12.700 1.00 96.53 N +ATOM 150 CA GLY A 25 -4.671 -12.503 12.771 1.00 95.78 C +ATOM 151 C GLY A 25 -4.916 -12.958 14.203 1.00 96.10 C +ATOM 152 O GLY A 25 -4.088 -12.724 15.092 1.00 96.25 O +ATOM 153 N PRO A 26 -6.046 -13.629 14.460 1.00 95.00 N +ATOM 154 CA PRO A 26 -6.359 -14.097 15.806 1.00 94.39 C +ATOM 155 C PRO A 26 -5.449 -15.245 16.217 1.00 94.60 C +ATOM 156 O PRO A 26 -4.886 -15.941 15.379 1.00 94.04 O +ATOM 157 CB PRO A 26 -7.817 -14.531 15.696 1.00 92.24 C +ATOM 158 CG PRO A 26 -7.967 -14.920 14.276 1.00 91.38 C +ATOM 159 CD PRO A 26 -7.116 -13.942 13.505 1.00 93.78 C +HETATM 160 N HYP A 27 -5.304 -15.483 17.494 1.00 94.69 N +HETATM 161 CA HYP A 27 -4.528 -16.606 18.031 1.00 94.46 C +HETATM 162 C HYP A 27 -5.119 -17.938 17.560 1.00 93.87 C +HETATM 163 O HYP A 27 -6.328 -18.082 17.364 1.00 92.66 O +HETATM 164 CB HYP A 27 -4.707 -16.442 19.561 1.00 92.95 C +HETATM 165 CG HYP A 27 -5.023 -14.997 19.773 1.00 90.36 C +HETATM 166 CD HYP A 27 -5.790 -14.620 18.537 1.00 93.61 C +HETATM 167 OD1 HYP A 27 -3.835 -14.208 19.810 1.00 89.46 O +ATOM 168 N GLY A 28 -4.266 -18.913 17.431 1.00 92.81 N +ATOM 169 CA GLY A 28 -4.701 -20.230 17.053 1.00 91.77 C +ATOM 170 C GLY A 28 -5.507 -20.876 18.171 1.00 92.60 C +ATOM 171 O GLY A 28 -5.571 -20.354 19.289 1.00 92.89 O +ATOM 172 N PRO A 29 -6.115 -22.034 17.905 1.00 93.14 N +ATOM 173 CA PRO A 29 -6.917 -22.715 18.915 1.00 92.46 C +ATOM 174 C PRO A 29 -6.044 -23.293 20.018 1.00 92.61 C +ATOM 175 O PRO A 29 -4.856 -23.539 19.823 1.00 91.57 O +ATOM 176 CB PRO A 29 -7.632 -23.799 18.120 1.00 90.20 C +ATOM 177 CG PRO A 29 -6.712 -24.075 16.988 1.00 88.92 C +ATOM 178 CD PRO A 29 -6.128 -22.735 16.622 1.00 91.29 C +HETATM 179 N HYP A 30 -6.629 -23.554 21.156 1.00 93.39 N +HETATM 180 CA HYP A 30 -5.889 -24.181 22.269 1.00 91.37 C +HETATM 181 C HYP A 30 -5.394 -25.561 21.873 1.00 92.87 C +HETATM 182 O HYP A 30 -6.023 -26.280 21.114 1.00 92.42 O +HETATM 183 CB HYP A 30 -6.956 -24.288 23.361 1.00 91.73 C +HETATM 184 CG HYP A 30 -7.983 -23.227 23.051 1.00 88.22 C +HETATM 185 CD HYP A 30 -7.951 -23.165 21.528 1.00 91.96 C +HETATM 186 OD1 HYP A 30 -7.568 -21.955 23.523 1.00 89.23 O +ATOM 187 N GLY A 31 -4.241 -25.928 22.429 1.00 90.10 N +ATOM 188 CA GLY A 31 -3.683 -27.231 22.182 1.00 88.98 C +ATOM 189 C GLY A 31 -4.531 -28.314 22.827 1.00 89.54 C +ATOM 190 O GLY A 31 -5.439 -28.028 23.612 1.00 89.83 O +ATOM 191 N PRO A 32 -4.230 -29.585 22.534 1.00 92.32 N +ATOM 192 CA PRO A 32 -5.002 -30.683 23.097 1.00 91.78 C +ATOM 193 C PRO A 32 -4.722 -30.843 24.584 1.00 91.61 C +ATOM 194 O PRO A 32 -3.679 -30.423 25.087 1.00 89.66 O +ATOM 195 CB PRO A 32 -4.527 -31.890 22.288 1.00 88.94 C +ATOM 196 CG PRO A 32 -3.157 -31.523 21.873 1.00 87.70 C +ATOM 197 CD PRO A 32 -3.199 -30.045 21.600 1.00 90.47 C +HETATM 198 N HYP A 33 -5.625 -31.491 25.300 1.00 92.87 N +HETATM 199 CA HYP A 33 -5.426 -31.746 26.718 1.00 91.45 C +HETATM 200 C HYP A 33 -4.213 -32.631 26.971 1.00 92.65 C +HETATM 201 O HYP A 33 -3.865 -33.464 26.166 1.00 91.41 O +HETATM 202 CB HYP A 33 -6.697 -32.484 27.137 1.00 90.26 C +HETATM 203 CG HYP A 33 -7.750 -32.088 26.122 1.00 87.44 C +HETATM 204 CD HYP A 33 -6.923 -31.859 24.850 1.00 90.72 C +HETATM 205 OD1 HYP A 33 -8.369 -30.852 26.454 1.00 86.69 O +ATOM 206 N GLY A 34 -3.573 -32.411 28.125 1.00 86.40 N +ATOM 207 CA GLY A 34 -2.441 -33.208 28.507 1.00 84.27 C +ATOM 208 C GLY A 34 -2.850 -34.647 28.781 1.00 84.22 C +ATOM 209 O GLY A 34 -4.041 -34.965 28.852 1.00 82.51 O +ATOM 210 N PRO A 35 -1.866 -35.563 28.972 1.00 87.70 N +ATOM 211 CA PRO A 35 -2.186 -36.964 29.221 1.00 87.88 C +ATOM 212 C PRO A 35 -2.809 -37.151 30.596 1.00 87.42 C +ATOM 213 O PRO A 35 -2.539 -36.379 31.517 1.00 82.56 O +ATOM 214 CB PRO A 35 -0.839 -37.662 29.109 1.00 82.77 C +ATOM 215 CG PRO A 35 0.131 -36.606 29.514 1.00 80.15 C +ATOM 216 CD PRO A 35 -0.431 -35.323 28.953 1.00 83.04 C +HETATM 217 N HYP A 36 -3.578 -38.175 30.741 1.00 87.98 N +HETATM 218 CA HYP A 36 -4.143 -38.401 32.061 1.00 84.02 C +HETATM 219 C HYP A 36 -3.042 -38.820 33.048 1.00 84.46 C +HETATM 220 O HYP A 36 -2.236 -39.705 32.685 1.00 83.41 O +HETATM 221 CB HYP A 36 -5.115 -39.579 31.882 1.00 86.79 C +HETATM 222 CG HYP A 36 -5.381 -39.688 30.419 1.00 81.52 C +HETATM 223 CD HYP A 36 -4.130 -39.095 29.756 1.00 85.84 C +HETATM 224 OD1 HYP A 36 -6.488 -38.877 30.100 1.00 80.08 O +HETATM 225 OXT HYP A 36 -3.033 -38.170 34.102 1.00 79.09 O +TER 226 HYP A 36 +END diff --git a/protein_pdb_10.txt b/protein_pdb_10.txt new file mode 100644 index 0000000000000000000000000000000000000000..9351c9ce8a4335c9e056f2cfb659c7789416170c --- /dev/null +++ b/protein_pdb_10.txt @@ -0,0 +1,138 @@ +ATOM 1 N GLY A 1 8.337 -30.133 -0.404 1.00 91.71 N +ATOM 2 CA GLY A 1 8.619 -29.193 0.677 1.00 93.91 C +ATOM 3 C GLY A 1 7.434 -28.291 0.949 1.00 94.52 C +ATOM 4 O GLY A 1 6.478 -28.281 0.180 1.00 92.73 O +ATOM 5 N PRO A 2 7.478 -27.506 2.018 1.00 95.34 N +ATOM 6 CA PRO A 2 6.375 -26.609 2.362 1.00 96.19 C +ATOM 7 C PRO A 2 6.266 -25.445 1.387 1.00 96.32 C +ATOM 8 O PRO A 2 7.244 -25.067 0.747 1.00 95.19 O +ATOM 9 CB PRO A 2 6.726 -26.124 3.769 1.00 94.83 C +ATOM 10 CG PRO A 2 8.216 -26.184 3.800 1.00 91.95 C +ATOM 11 CD PRO A 2 8.567 -27.411 2.989 1.00 93.80 C +HETATM 12 N HYP A 3 5.143 -24.963 1.274 1.00 95.35 N +HETATM 13 CA HYP A 3 4.873 -23.687 0.428 1.00 95.29 C +HETATM 14 C HYP A 3 5.688 -22.518 0.901 1.00 95.87 C +HETATM 15 O HYP A 3 5.977 -22.396 2.114 1.00 95.66 O +HETATM 16 CB HYP A 3 3.388 -23.492 0.680 1.00 94.07 C +HETATM 17 CG HYP A 3 2.786 -24.835 1.117 1.00 90.89 C +HETATM 18 CD HYP A 3 3.934 -25.474 1.926 1.00 93.07 C +HETATM 19 OD1 HYP A 3 2.494 -25.645 0.003 1.00 93.75 O +ATOM 20 N GLY A 4 6.055 -21.606 -0.026 1.00 96.40 N +ATOM 21 CA GLY A 4 6.788 -20.408 0.325 1.00 95.98 C +ATOM 22 C GLY A 4 5.903 -19.420 1.066 1.00 96.04 C +ATOM 23 O GLY A 4 4.680 -19.562 1.094 1.00 95.20 O +ATOM 24 N PRO A 5 6.513 -18.387 1.662 1.00 96.14 N +ATOM 25 CA PRO A 5 5.747 -17.374 2.400 1.00 96.05 C +ATOM 26 C PRO A 5 4.965 -16.469 1.460 1.00 95.90 C +ATOM 27 O PRO A 5 5.308 -16.331 0.287 1.00 94.84 O +ATOM 28 CB PRO A 5 6.823 -16.599 3.162 1.00 94.98 C +ATOM 29 CG PRO A 5 8.014 -16.704 2.274 1.00 93.29 C +ATOM 30 CD PRO A 5 7.945 -18.102 1.690 1.00 95.20 C +HETATM 31 N HYP A 6 3.920 -15.853 1.984 1.00 95.57 N +HETATM 32 CA HYP A 6 3.169 -14.830 1.199 1.00 95.19 C +HETATM 33 C HYP A 6 4.031 -13.671 0.815 1.00 95.38 C +HETATM 34 O HYP A 6 4.927 -13.274 1.592 1.00 94.04 O +HETATM 35 CB HYP A 6 2.038 -14.411 2.205 1.00 93.83 C +HETATM 36 CG HYP A 6 1.878 -15.571 3.200 1.00 93.06 C +HETATM 37 CD HYP A 6 3.287 -16.117 3.303 1.00 93.94 C +HETATM 38 OD1 HYP A 6 0.997 -16.546 2.686 1.00 93.54 O +ATOM 39 N GLY A 7 3.766 -13.062 -0.322 1.00 93.73 N +ATOM 40 CA GLY A 7 4.511 -11.909 -0.769 1.00 91.97 C +ATOM 41 C GLY A 7 4.273 -10.712 0.141 1.00 92.22 C +ATOM 42 O GLY A 7 3.335 -10.701 0.939 1.00 91.62 O +ATOM 43 N PRO A 8 5.103 -9.648 0.003 1.00 95.46 N +ATOM 44 CA PRO A 8 4.928 -8.457 0.835 1.00 94.82 C +ATOM 45 C PRO A 8 3.660 -7.697 0.463 1.00 95.02 C +ATOM 46 O PRO A 8 3.171 -7.777 -0.665 1.00 92.50 O +ATOM 47 CB PRO A 8 6.190 -7.632 0.553 1.00 93.03 C +ATOM 48 CG PRO A 8 6.558 -8.029 -0.836 1.00 91.92 C +ATOM 49 CD PRO A 8 6.228 -9.506 -0.914 1.00 94.61 C +ATOM 50 N LYS A 9 3.123 -6.941 1.429 1.00 92.87 N +ATOM 51 CA LYS A 9 1.937 -6.128 1.186 1.00 92.90 C +ATOM 52 C LYS A 9 2.298 -4.997 0.224 1.00 93.16 C +ATOM 53 O LYS A 9 3.372 -4.414 0.314 1.00 90.76 O +ATOM 54 CB LYS A 9 1.401 -5.571 2.515 1.00 88.64 C +ATOM 55 CG LYS A 9 0.102 -4.797 2.373 1.00 84.25 C +ATOM 56 CD LYS A 9 -0.435 -4.345 3.719 1.00 81.72 C +ATOM 57 CE LYS A 9 -1.744 -3.584 3.564 1.00 76.97 C +ATOM 58 NZ LYS A 9 -2.282 -3.153 4.872 1.00 73.13 N +ATOM 59 N GLY A 10 1.382 -4.707 -0.703 1.00 94.97 N +ATOM 60 CA GLY A 10 1.628 -3.648 -1.668 1.00 93.99 C +ATOM 61 C GLY A 10 1.678 -2.274 -1.035 1.00 94.31 C +ATOM 62 O GLY A 10 1.207 -2.065 0.084 1.00 92.42 O +ATOM 63 N ASP A 11 2.246 -1.304 -1.765 1.00 96.73 N +ATOM 64 CA ASP A 11 2.354 0.070 -1.284 1.00 97.00 C +ATOM 65 C ASP A 11 0.983 0.718 -1.218 1.00 97.23 C +ATOM 66 O ASP A 11 0.103 0.414 -2.020 1.00 96.06 O +ATOM 67 CB ASP A 11 3.253 0.891 -2.209 1.00 95.48 C +ATOM 68 CG ASP A 11 4.702 0.460 -2.180 1.00 91.25 C +ATOM 69 OD1 ASP A 11 5.108 -0.206 -1.213 1.00 88.26 O +ATOM 70 OD2 ASP A 11 5.428 0.816 -3.122 1.00 85.26 O +HETATM 71 N HYP A 12 0.789 1.666 -0.270 1.00 96.54 N +HETATM 72 CA HYP A 12 -0.458 2.449 -0.206 1.00 94.61 C +HETATM 73 C HYP A 12 -0.650 3.292 -1.452 1.00 96.67 C +HETATM 74 O HYP A 12 0.367 3.690 -2.079 1.00 93.80 O +HETATM 75 CB HYP A 12 -0.230 3.338 1.024 1.00 93.80 C +HETATM 76 CG HYP A 12 0.810 2.640 1.843 1.00 91.48 C +HETATM 77 CD HYP A 12 1.671 1.975 0.834 1.00 93.95 C +HETATM 78 OD1 HYP A 12 0.219 1.675 2.692 1.00 93.38 O +ATOM 79 N GLY A 13 -1.880 3.544 -1.848 1.00 96.62 N +ATOM 80 CA GLY A 13 -2.159 4.383 -2.989 1.00 96.18 C +ATOM 81 C GLY A 13 -1.842 5.843 -2.687 1.00 96.50 C +ATOM 82 O GLY A 13 -1.555 6.207 -1.546 1.00 96.14 O +ATOM 83 N PRO A 14 -1.904 6.720 -3.716 1.00 95.93 N +ATOM 84 CA PRO A 14 -1.617 8.137 -3.512 1.00 95.85 C +ATOM 85 C PRO A 14 -2.702 8.815 -2.686 1.00 96.03 C +ATOM 86 O PRO A 14 -3.845 8.370 -2.669 1.00 94.66 O +ATOM 87 CB PRO A 14 -1.557 8.696 -4.931 1.00 94.51 C +ATOM 88 CG PRO A 14 -2.448 7.788 -5.704 1.00 93.32 C +ATOM 89 CD PRO A 14 -2.225 6.415 -5.102 1.00 95.12 C +HETATM 90 N HYP A 15 -2.372 9.928 -2.019 1.00 93.75 N +HETATM 91 CA HYP A 15 -3.317 10.717 -1.260 1.00 93.05 C +HETATM 92 C HYP A 15 -4.419 11.329 -2.150 1.00 93.05 C +HETATM 93 O HYP A 15 -4.178 11.592 -3.342 1.00 94.37 O +HETATM 94 CB HYP A 15 -2.416 11.844 -0.697 1.00 93.31 C +HETATM 95 CG HYP A 15 -1.026 11.293 -0.676 1.00 91.59 C +HETATM 96 CD HYP A 15 -1.010 10.382 -1.882 1.00 91.98 C +HETATM 97 OD1 HYP A 15 -0.811 10.515 0.491 1.00 93.35 O +ATOM 98 N GLY A 16 -5.611 11.479 -1.615 1.00 94.54 N +ATOM 99 CA GLY A 16 -6.689 12.085 -2.347 1.00 94.16 C +ATOM 100 C GLY A 16 -6.436 13.567 -2.572 1.00 94.61 C +ATOM 101 O GLY A 16 -5.515 14.144 -1.985 1.00 93.89 O +ATOM 102 N PRO A 17 -7.259 14.225 -3.414 1.00 92.52 N +ATOM 103 CA PRO A 17 -7.087 15.648 -3.689 1.00 92.68 C +ATOM 104 C PRO A 17 -7.446 16.496 -2.479 1.00 93.01 C +ATOM 105 O PRO A 17 -8.193 16.066 -1.605 1.00 91.67 O +ATOM 106 CB PRO A 17 -8.032 15.898 -4.861 1.00 90.08 C +ATOM 107 CG PRO A 17 -9.101 14.872 -4.663 1.00 87.00 C +ATOM 108 CD PRO A 17 -8.376 13.650 -4.142 1.00 89.52 C +HETATM 109 N HYP A 18 -6.925 17.727 -2.439 1.00 93.97 N +HETATM 110 CA HYP A 18 -7.279 18.697 -1.366 1.00 91.99 C +HETATM 111 C HYP A 18 -8.775 19.074 -1.342 1.00 94.99 C +HETATM 112 O HYP A 18 -9.422 19.029 -2.384 1.00 94.74 O +HETATM 113 CB HYP A 18 -6.442 19.962 -1.793 1.00 91.30 C +HETATM 114 CG HYP A 18 -5.293 19.442 -2.627 1.00 90.33 C +HETATM 115 CD HYP A 18 -5.898 18.220 -3.332 1.00 91.65 C +HETATM 116 OD1 HYP A 18 -4.230 18.985 -1.784 1.00 90.81 O +ATOM 117 N GLY A 19 -9.338 19.332 -0.183 1.00 93.23 N +ATOM 118 CA GLY A 19 -10.721 19.740 -0.053 1.00 92.75 C +ATOM 119 C GLY A 19 -10.913 21.153 -0.584 1.00 93.33 C +ATOM 120 O GLY A 19 -9.948 21.839 -0.925 1.00 91.96 O +ATOM 121 N PRO A 20 -12.176 21.637 -0.653 1.00 94.14 N +ATOM 122 CA PRO A 20 -12.455 22.981 -1.147 1.00 94.15 C +ATOM 123 C PRO A 20 -11.989 24.037 -0.164 1.00 93.94 C +ATOM 124 O PRO A 20 -11.875 23.776 1.039 1.00 91.03 O +ATOM 125 CB PRO A 20 -13.968 22.987 -1.319 1.00 91.50 C +ATOM 126 CG PRO A 20 -14.441 22.020 -0.284 1.00 89.12 C +ATOM 127 CD PRO A 20 -13.393 20.931 -0.271 1.00 92.06 C +HETATM 128 N HYP A 21 -11.754 25.333 -0.619 1.00 93.88 N +HETATM 129 CA HYP A 21 -11.400 26.350 0.336 1.00 91.34 C +HETATM 130 C HYP A 21 -12.636 26.763 1.177 1.00 93.59 C +HETATM 131 O HYP A 21 -13.418 25.890 1.385 1.00 91.56 O +HETATM 132 CB HYP A 21 -11.112 27.669 -0.565 1.00 91.69 C +HETATM 133 CG HYP A 21 -10.814 27.166 -1.922 1.00 91.17 C +HETATM 134 CD HYP A 21 -11.614 25.827 -2.004 1.00 92.66 C +HETATM 135 OD1 HYP A 21 -9.427 26.885 -1.992 1.00 87.14 O +HETATM 136 OXT HYP A 21 -12.842 27.938 1.598 1.00 87.63 O +TER 137 HYP A 21 +END diff --git a/protein_pdb_100.txt b/protein_pdb_100.txt new file mode 100644 index 0000000000000000000000000000000000000000..26329ba547ffaf882326e2a57f3f5208854208da --- /dev/null +++ b/protein_pdb_100.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -3.831 -4.125 7.926 1.00 69.04 N +ATOM 2 CA GLY A 1 -3.954 -2.687 7.733 1.00 71.23 C +ATOM 3 C GLY A 1 -4.462 -2.355 6.352 1.00 72.33 C +ATOM 4 O GLY A 1 -4.694 -3.248 5.539 1.00 69.15 O +ATOM 5 N PRO A 2 -4.629 -1.078 6.068 1.00 72.04 N +ATOM 6 CA PRO A 2 -5.161 -0.660 4.780 1.00 73.88 C +ATOM 7 C PRO A 2 -4.154 -0.830 3.654 1.00 74.23 C +ATOM 8 O PRO A 2 -2.951 -0.893 3.882 1.00 72.61 O +ATOM 9 CB PRO A 2 -5.483 0.818 4.995 1.00 71.41 C +ATOM 10 CG PRO A 2 -4.500 1.245 6.021 1.00 67.12 C +ATOM 11 CD PRO A 2 -4.343 0.066 6.935 1.00 65.65 C +HETATM 12 N HYP A 3 -4.638 -0.917 2.476 1.00 75.37 N +HETATM 13 CA HYP A 3 -3.822 -0.934 1.305 1.00 77.46 C +HETATM 14 C HYP A 3 -2.952 0.281 1.156 1.00 78.28 C +HETATM 15 O HYP A 3 -3.343 1.382 1.630 1.00 79.14 O +HETATM 16 CB HYP A 3 -4.842 -1.101 0.184 1.00 75.37 C +HETATM 17 CG HYP A 3 -5.976 -1.826 0.853 1.00 72.06 C +HETATM 18 CD HYP A 3 -6.024 -1.139 2.206 1.00 75.66 C +HETATM 19 OD1 HYP A 3 -5.690 -3.184 1.040 1.00 74.45 O +ATOM 20 N GLY A 4 -1.797 0.136 0.627 1.00 80.00 N +ATOM 21 CA GLY A 4 -0.922 1.258 0.400 1.00 77.95 C +ATOM 22 C GLY A 4 -1.482 2.197 -0.648 1.00 77.41 C +ATOM 23 O GLY A 4 -2.510 1.927 -1.274 1.00 74.99 O +ATOM 24 N PRO A 5 -0.802 3.302 -0.860 1.00 76.44 N +ATOM 25 CA PRO A 5 -1.260 4.287 -1.826 1.00 74.66 C +ATOM 26 C PRO A 5 -1.025 3.823 -3.256 1.00 74.64 C +ATOM 27 O PRO A 5 -0.239 2.924 -3.512 1.00 72.53 O +ATOM 28 CB PRO A 5 -0.409 5.510 -1.492 1.00 71.12 C +ATOM 29 CG PRO A 5 0.853 4.924 -0.968 1.00 68.25 C +ATOM 30 CD PRO A 5 0.434 3.705 -0.198 1.00 68.16 C +HETATM 31 N HYP A 6 -1.699 4.447 -4.186 1.00 73.88 N +HETATM 32 CA HYP A 6 -1.459 4.233 -5.565 1.00 76.08 C +HETATM 33 C HYP A 6 -0.046 4.494 -5.980 1.00 75.37 C +HETATM 34 O HYP A 6 0.620 5.297 -5.332 1.00 74.60 O +HETATM 35 CB HYP A 6 -2.504 5.135 -6.211 1.00 72.38 C +HETATM 36 CG HYP A 6 -3.640 5.164 -5.200 1.00 69.96 C +HETATM 37 CD HYP A 6 -2.885 5.244 -3.916 1.00 74.13 C +HETATM 38 OD1 HYP A 6 -4.411 3.979 -5.221 1.00 69.29 O +ATOM 39 N GLY A 7 0.405 3.829 -6.991 1.00 73.52 N +ATOM 40 CA GLY A 7 1.746 3.998 -7.473 1.00 71.95 C +ATOM 41 C GLY A 7 1.997 5.399 -7.994 1.00 71.90 C +ATOM 42 O GLY A 7 1.089 6.228 -8.065 1.00 69.93 O +ATOM 43 N PRO A 8 3.236 5.664 -8.386 1.00 73.04 N +ATOM 44 CA PRO A 8 3.613 6.990 -8.841 1.00 73.95 C +ATOM 45 C PRO A 8 3.037 7.328 -10.205 1.00 73.82 C +ATOM 46 O PRO A 8 2.665 6.454 -10.982 1.00 72.15 O +ATOM 47 CB PRO A 8 5.135 6.924 -8.878 1.00 71.05 C +ATOM 48 CG PRO A 8 5.420 5.493 -9.153 1.00 70.14 C +ATOM 49 CD PRO A 8 4.358 4.735 -8.405 1.00 70.60 C +HETATM 50 N HYP A 9 3.010 8.597 -10.472 1.00 74.67 N +HETATM 51 CA HYP A 9 2.628 9.105 -11.734 1.00 75.17 C +HETATM 52 C HYP A 9 3.430 8.562 -12.842 1.00 76.38 C +HETATM 53 O HYP A 9 4.475 8.001 -12.622 1.00 76.64 O +HETATM 54 CB HYP A 9 2.541 10.553 -11.652 1.00 75.41 C +HETATM 55 CG HYP A 9 2.383 10.817 -10.200 1.00 69.99 C +HETATM 56 CD HYP A 9 3.137 9.685 -9.559 1.00 74.21 C +HETATM 57 OD1 HYP A 9 1.027 10.710 -9.813 1.00 70.63 O +ATOM 58 N GLY A 10 3.103 8.795 -14.043 1.00 76.61 N +ATOM 59 CA GLY A 10 3.855 8.440 -15.216 1.00 74.85 C +ATOM 60 C GLY A 10 3.453 7.114 -15.812 1.00 73.54 C +ATOM 61 O GLY A 10 3.592 6.920 -17.021 1.00 70.61 O +ATOM 62 N SER A 11 2.949 6.224 -15.019 1.00 75.63 N +ATOM 63 CA SER A 11 2.522 4.923 -15.512 1.00 74.57 C +ATOM 64 C SER A 11 1.570 4.253 -14.525 1.00 74.81 C +ATOM 65 O SER A 11 1.676 3.071 -14.253 1.00 71.40 O +ATOM 66 CB SER A 11 3.733 4.031 -15.770 1.00 69.37 C +ATOM 67 OG SER A 11 3.344 2.832 -16.399 1.00 63.65 O +HETATM 68 N HYP A 12 0.639 4.876 -14.026 1.00 74.00 N +HETATM 69 CA HYP A 12 -0.102 4.522 -12.855 1.00 74.42 C +HETATM 70 C HYP A 12 0.301 3.207 -12.245 1.00 79.02 C +HETATM 71 O HYP A 12 0.118 2.131 -12.860 1.00 76.58 O +HETATM 72 CB HYP A 12 -1.550 4.697 -13.157 1.00 72.29 C +HETATM 73 CG HYP A 12 -1.512 5.640 -14.336 1.00 70.32 C +HETATM 74 CD HYP A 12 -0.285 5.186 -15.086 1.00 74.85 C +HETATM 75 OD1 HYP A 12 -1.329 6.971 -13.956 1.00 71.44 O +ATOM 76 N GLY A 13 0.907 3.295 -11.143 1.00 78.40 N +ATOM 77 CA GLY A 13 1.284 2.095 -10.439 1.00 77.17 C +ATOM 78 C GLY A 13 0.097 1.476 -9.730 1.00 77.71 C +ATOM 79 O GLY A 13 -0.955 2.106 -9.586 1.00 75.74 O +ATOM 80 N PRO A 14 0.258 0.255 -9.277 1.00 77.31 N +ATOM 81 CA PRO A 14 -0.814 -0.406 -8.544 1.00 76.98 C +ATOM 82 C PRO A 14 -0.908 0.131 -7.129 1.00 77.71 C +ATOM 83 O PRO A 14 0.006 0.781 -6.634 1.00 74.59 O +ATOM 84 CB PRO A 14 -0.388 -1.869 -8.552 1.00 73.84 C +ATOM 85 CG PRO A 14 1.101 -1.788 -8.541 1.00 73.35 C +ATOM 86 CD PRO A 14 1.438 -0.601 -9.398 1.00 72.50 C +HETATM 87 N HYP A 15 -1.992 -0.151 -6.475 1.00 77.36 N +HETATM 88 CA HYP A 15 -2.090 0.152 -5.096 1.00 79.48 C +HETATM 89 C HYP A 15 -0.991 -0.534 -4.341 1.00 82.58 C +HETATM 90 O HYP A 15 -0.545 -1.608 -4.746 1.00 78.01 O +HETATM 91 CB HYP A 15 -3.490 -0.351 -4.764 1.00 76.97 C +HETATM 92 CG HYP A 15 -4.224 -0.165 -6.066 1.00 74.71 C +HETATM 93 CD HYP A 15 -3.200 -0.622 -7.072 1.00 76.96 C +HETATM 94 OD1 HYP A 15 -4.550 1.183 -6.285 1.00 73.33 O +ATOM 95 N GLY A 16 -0.557 0.113 -3.311 1.00 75.81 N +ATOM 96 CA GLY A 16 0.449 -0.483 -2.482 1.00 74.95 C +ATOM 97 C GLY A 16 -0.062 -1.732 -1.791 1.00 76.33 C +ATOM 98 O GLY A 16 -1.255 -2.053 -1.837 1.00 75.18 O +ATOM 99 N PRO A 17 0.832 -2.443 -1.141 1.00 73.60 N +ATOM 100 CA PRO A 17 0.432 -3.643 -0.433 1.00 75.38 C +ATOM 101 C PRO A 17 -0.379 -3.302 0.802 1.00 75.32 C +ATOM 102 O PRO A 17 -0.338 -2.187 1.299 1.00 72.19 O +ATOM 103 CB PRO A 17 1.768 -4.293 -0.062 1.00 72.93 C +ATOM 104 CG PRO A 17 2.696 -3.144 0.049 1.00 72.13 C +ATOM 105 CD PRO A 17 2.258 -2.166 -1.006 1.00 71.80 C +HETATM 106 N HYP A 18 -1.095 -4.240 1.294 1.00 78.69 N +HETATM 107 CA HYP A 18 -1.798 -4.068 2.510 1.00 79.18 C +HETATM 108 C HYP A 18 -0.893 -3.645 3.615 1.00 78.45 C +HETATM 109 O HYP A 18 0.288 -4.033 3.639 1.00 79.50 O +HETATM 110 CB HYP A 18 -2.445 -5.433 2.720 1.00 75.14 C +HETATM 111 CG HYP A 18 -2.650 -5.948 1.319 1.00 76.20 C +HETATM 112 CD HYP A 18 -1.394 -5.497 0.641 1.00 80.20 C +HETATM 113 OD1 HYP A 18 -3.749 -5.336 0.682 1.00 76.57 O +ATOM 114 N GLY A 19 -1.397 -2.803 4.484 1.00 73.50 N +ATOM 115 CA GLY A 19 -0.652 -2.400 5.642 1.00 71.29 C +ATOM 116 C GLY A 19 -0.413 -3.572 6.572 1.00 70.91 C +ATOM 117 O GLY A 19 -0.912 -4.679 6.353 1.00 69.30 O +ATOM 118 N PRO A 20 0.348 -3.332 7.622 1.00 72.21 N +ATOM 119 CA PRO A 20 0.652 -4.399 8.557 1.00 73.25 C +ATOM 120 C PRO A 20 -0.574 -4.808 9.349 1.00 72.51 C +ATOM 121 O PRO A 20 -1.532 -4.054 9.471 1.00 70.82 O +ATOM 122 CB PRO A 20 1.715 -3.786 9.460 1.00 71.56 C +ATOM 123 CG PRO A 20 1.432 -2.333 9.403 1.00 69.71 C +ATOM 124 CD PRO A 20 0.957 -2.065 8.005 1.00 69.06 C +HETATM 125 N HYP A 21 -0.551 -5.995 9.901 1.00 80.26 N +HETATM 126 CA HYP A 21 -1.595 -6.446 10.727 1.00 79.28 C +HETATM 127 C HYP A 21 -1.799 -5.539 11.941 1.00 74.76 C +HETATM 128 O HYP A 21 -0.833 -4.918 12.393 1.00 77.28 O +HETATM 129 CB HYP A 21 -1.097 -7.817 11.183 1.00 74.03 C +HETATM 130 CG HYP A 21 -0.223 -8.274 10.065 1.00 72.43 C +HETATM 131 CD HYP A 21 0.445 -7.000 9.636 1.00 79.06 C +HETATM 132 OD1 HYP A 21 -0.986 -8.778 8.981 1.00 75.74 O +ATOM 133 N GLY A 22 -3.021 -5.369 12.345 1.00 69.71 N +ATOM 134 CA GLY A 22 -3.318 -4.616 13.531 1.00 66.76 C +ATOM 135 C GLY A 22 -2.828 -5.331 14.780 1.00 65.64 C +ATOM 136 O GLY A 22 -2.271 -6.429 14.710 1.00 65.34 O +ATOM 137 N PRO A 23 -3.049 -4.716 15.923 1.00 66.91 N +ATOM 138 CA PRO A 23 -2.631 -5.333 17.173 1.00 72.46 C +ATOM 139 C PRO A 23 -3.361 -6.633 17.427 1.00 71.53 C +ATOM 140 O PRO A 23 -4.485 -6.818 16.965 1.00 70.14 O +ATOM 141 CB PRO A 23 -3.015 -4.294 18.231 1.00 68.48 C +ATOM 142 CG PRO A 23 -3.178 -3.033 17.478 1.00 63.32 C +ATOM 143 CD PRO A 23 -3.672 -3.422 16.126 1.00 64.42 C +HETATM 144 N HYP A 24 -2.820 -7.502 18.190 1.00 74.27 N +HETATM 145 CA HYP A 24 -3.512 -8.708 18.523 1.00 67.22 C +HETATM 146 C HYP A 24 -4.820 -8.427 19.217 1.00 64.49 C +HETATM 147 O HYP A 24 -4.989 -7.271 19.624 1.00 69.57 O +HETATM 148 CB HYP A 24 -2.537 -9.396 19.485 1.00 68.81 C +HETATM 149 CG HYP A 24 -1.199 -8.808 19.179 1.00 71.28 C +HETATM 150 CD HYP A 24 -1.525 -7.390 18.760 1.00 71.00 C +HETATM 151 OD1 HYP A 24 -0.624 -9.484 18.075 1.00 71.31 O +HETATM 152 OXT HYP A 24 -5.630 -9.359 19.395 1.00 67.50 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_101.txt b/protein_pdb_101.txt new file mode 100644 index 0000000000000000000000000000000000000000..26329ba547ffaf882326e2a57f3f5208854208da --- /dev/null +++ b/protein_pdb_101.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -3.831 -4.125 7.926 1.00 69.04 N +ATOM 2 CA GLY A 1 -3.954 -2.687 7.733 1.00 71.23 C +ATOM 3 C GLY A 1 -4.462 -2.355 6.352 1.00 72.33 C +ATOM 4 O GLY A 1 -4.694 -3.248 5.539 1.00 69.15 O +ATOM 5 N PRO A 2 -4.629 -1.078 6.068 1.00 72.04 N +ATOM 6 CA PRO A 2 -5.161 -0.660 4.780 1.00 73.88 C +ATOM 7 C PRO A 2 -4.154 -0.830 3.654 1.00 74.23 C +ATOM 8 O PRO A 2 -2.951 -0.893 3.882 1.00 72.61 O +ATOM 9 CB PRO A 2 -5.483 0.818 4.995 1.00 71.41 C +ATOM 10 CG PRO A 2 -4.500 1.245 6.021 1.00 67.12 C +ATOM 11 CD PRO A 2 -4.343 0.066 6.935 1.00 65.65 C +HETATM 12 N HYP A 3 -4.638 -0.917 2.476 1.00 75.37 N +HETATM 13 CA HYP A 3 -3.822 -0.934 1.305 1.00 77.46 C +HETATM 14 C HYP A 3 -2.952 0.281 1.156 1.00 78.28 C +HETATM 15 O HYP A 3 -3.343 1.382 1.630 1.00 79.14 O +HETATM 16 CB HYP A 3 -4.842 -1.101 0.184 1.00 75.37 C +HETATM 17 CG HYP A 3 -5.976 -1.826 0.853 1.00 72.06 C +HETATM 18 CD HYP A 3 -6.024 -1.139 2.206 1.00 75.66 C +HETATM 19 OD1 HYP A 3 -5.690 -3.184 1.040 1.00 74.45 O +ATOM 20 N GLY A 4 -1.797 0.136 0.627 1.00 80.00 N +ATOM 21 CA GLY A 4 -0.922 1.258 0.400 1.00 77.95 C +ATOM 22 C GLY A 4 -1.482 2.197 -0.648 1.00 77.41 C +ATOM 23 O GLY A 4 -2.510 1.927 -1.274 1.00 74.99 O +ATOM 24 N PRO A 5 -0.802 3.302 -0.860 1.00 76.44 N +ATOM 25 CA PRO A 5 -1.260 4.287 -1.826 1.00 74.66 C +ATOM 26 C PRO A 5 -1.025 3.823 -3.256 1.00 74.64 C +ATOM 27 O PRO A 5 -0.239 2.924 -3.512 1.00 72.53 O +ATOM 28 CB PRO A 5 -0.409 5.510 -1.492 1.00 71.12 C +ATOM 29 CG PRO A 5 0.853 4.924 -0.968 1.00 68.25 C +ATOM 30 CD PRO A 5 0.434 3.705 -0.198 1.00 68.16 C +HETATM 31 N HYP A 6 -1.699 4.447 -4.186 1.00 73.88 N +HETATM 32 CA HYP A 6 -1.459 4.233 -5.565 1.00 76.08 C +HETATM 33 C HYP A 6 -0.046 4.494 -5.980 1.00 75.37 C +HETATM 34 O HYP A 6 0.620 5.297 -5.332 1.00 74.60 O +HETATM 35 CB HYP A 6 -2.504 5.135 -6.211 1.00 72.38 C +HETATM 36 CG HYP A 6 -3.640 5.164 -5.200 1.00 69.96 C +HETATM 37 CD HYP A 6 -2.885 5.244 -3.916 1.00 74.13 C +HETATM 38 OD1 HYP A 6 -4.411 3.979 -5.221 1.00 69.29 O +ATOM 39 N GLY A 7 0.405 3.829 -6.991 1.00 73.52 N +ATOM 40 CA GLY A 7 1.746 3.998 -7.473 1.00 71.95 C +ATOM 41 C GLY A 7 1.997 5.399 -7.994 1.00 71.90 C +ATOM 42 O GLY A 7 1.089 6.228 -8.065 1.00 69.93 O +ATOM 43 N PRO A 8 3.236 5.664 -8.386 1.00 73.04 N +ATOM 44 CA PRO A 8 3.613 6.990 -8.841 1.00 73.95 C +ATOM 45 C PRO A 8 3.037 7.328 -10.205 1.00 73.82 C +ATOM 46 O PRO A 8 2.665 6.454 -10.982 1.00 72.15 O +ATOM 47 CB PRO A 8 5.135 6.924 -8.878 1.00 71.05 C +ATOM 48 CG PRO A 8 5.420 5.493 -9.153 1.00 70.14 C +ATOM 49 CD PRO A 8 4.358 4.735 -8.405 1.00 70.60 C +HETATM 50 N HYP A 9 3.010 8.597 -10.472 1.00 74.67 N +HETATM 51 CA HYP A 9 2.628 9.105 -11.734 1.00 75.17 C +HETATM 52 C HYP A 9 3.430 8.562 -12.842 1.00 76.38 C +HETATM 53 O HYP A 9 4.475 8.001 -12.622 1.00 76.64 O +HETATM 54 CB HYP A 9 2.541 10.553 -11.652 1.00 75.41 C +HETATM 55 CG HYP A 9 2.383 10.817 -10.200 1.00 69.99 C +HETATM 56 CD HYP A 9 3.137 9.685 -9.559 1.00 74.21 C +HETATM 57 OD1 HYP A 9 1.027 10.710 -9.813 1.00 70.63 O +ATOM 58 N GLY A 10 3.103 8.795 -14.043 1.00 76.61 N +ATOM 59 CA GLY A 10 3.855 8.440 -15.216 1.00 74.85 C +ATOM 60 C GLY A 10 3.453 7.114 -15.812 1.00 73.54 C +ATOM 61 O GLY A 10 3.592 6.920 -17.021 1.00 70.61 O +ATOM 62 N SER A 11 2.949 6.224 -15.019 1.00 75.63 N +ATOM 63 CA SER A 11 2.522 4.923 -15.512 1.00 74.57 C +ATOM 64 C SER A 11 1.570 4.253 -14.525 1.00 74.81 C +ATOM 65 O SER A 11 1.676 3.071 -14.253 1.00 71.40 O +ATOM 66 CB SER A 11 3.733 4.031 -15.770 1.00 69.37 C +ATOM 67 OG SER A 11 3.344 2.832 -16.399 1.00 63.65 O +HETATM 68 N HYP A 12 0.639 4.876 -14.026 1.00 74.00 N +HETATM 69 CA HYP A 12 -0.102 4.522 -12.855 1.00 74.42 C +HETATM 70 C HYP A 12 0.301 3.207 -12.245 1.00 79.02 C +HETATM 71 O HYP A 12 0.118 2.131 -12.860 1.00 76.58 O +HETATM 72 CB HYP A 12 -1.550 4.697 -13.157 1.00 72.29 C +HETATM 73 CG HYP A 12 -1.512 5.640 -14.336 1.00 70.32 C +HETATM 74 CD HYP A 12 -0.285 5.186 -15.086 1.00 74.85 C +HETATM 75 OD1 HYP A 12 -1.329 6.971 -13.956 1.00 71.44 O +ATOM 76 N GLY A 13 0.907 3.295 -11.143 1.00 78.40 N +ATOM 77 CA GLY A 13 1.284 2.095 -10.439 1.00 77.17 C +ATOM 78 C GLY A 13 0.097 1.476 -9.730 1.00 77.71 C +ATOM 79 O GLY A 13 -0.955 2.106 -9.586 1.00 75.74 O +ATOM 80 N PRO A 14 0.258 0.255 -9.277 1.00 77.31 N +ATOM 81 CA PRO A 14 -0.814 -0.406 -8.544 1.00 76.98 C +ATOM 82 C PRO A 14 -0.908 0.131 -7.129 1.00 77.71 C +ATOM 83 O PRO A 14 0.006 0.781 -6.634 1.00 74.59 O +ATOM 84 CB PRO A 14 -0.388 -1.869 -8.552 1.00 73.84 C +ATOM 85 CG PRO A 14 1.101 -1.788 -8.541 1.00 73.35 C +ATOM 86 CD PRO A 14 1.438 -0.601 -9.398 1.00 72.50 C +HETATM 87 N HYP A 15 -1.992 -0.151 -6.475 1.00 77.36 N +HETATM 88 CA HYP A 15 -2.090 0.152 -5.096 1.00 79.48 C +HETATM 89 C HYP A 15 -0.991 -0.534 -4.341 1.00 82.58 C +HETATM 90 O HYP A 15 -0.545 -1.608 -4.746 1.00 78.01 O +HETATM 91 CB HYP A 15 -3.490 -0.351 -4.764 1.00 76.97 C +HETATM 92 CG HYP A 15 -4.224 -0.165 -6.066 1.00 74.71 C +HETATM 93 CD HYP A 15 -3.200 -0.622 -7.072 1.00 76.96 C +HETATM 94 OD1 HYP A 15 -4.550 1.183 -6.285 1.00 73.33 O +ATOM 95 N GLY A 16 -0.557 0.113 -3.311 1.00 75.81 N +ATOM 96 CA GLY A 16 0.449 -0.483 -2.482 1.00 74.95 C +ATOM 97 C GLY A 16 -0.062 -1.732 -1.791 1.00 76.33 C +ATOM 98 O GLY A 16 -1.255 -2.053 -1.837 1.00 75.18 O +ATOM 99 N PRO A 17 0.832 -2.443 -1.141 1.00 73.60 N +ATOM 100 CA PRO A 17 0.432 -3.643 -0.433 1.00 75.38 C +ATOM 101 C PRO A 17 -0.379 -3.302 0.802 1.00 75.32 C +ATOM 102 O PRO A 17 -0.338 -2.187 1.299 1.00 72.19 O +ATOM 103 CB PRO A 17 1.768 -4.293 -0.062 1.00 72.93 C +ATOM 104 CG PRO A 17 2.696 -3.144 0.049 1.00 72.13 C +ATOM 105 CD PRO A 17 2.258 -2.166 -1.006 1.00 71.80 C +HETATM 106 N HYP A 18 -1.095 -4.240 1.294 1.00 78.69 N +HETATM 107 CA HYP A 18 -1.798 -4.068 2.510 1.00 79.18 C +HETATM 108 C HYP A 18 -0.893 -3.645 3.615 1.00 78.45 C +HETATM 109 O HYP A 18 0.288 -4.033 3.639 1.00 79.50 O +HETATM 110 CB HYP A 18 -2.445 -5.433 2.720 1.00 75.14 C +HETATM 111 CG HYP A 18 -2.650 -5.948 1.319 1.00 76.20 C +HETATM 112 CD HYP A 18 -1.394 -5.497 0.641 1.00 80.20 C +HETATM 113 OD1 HYP A 18 -3.749 -5.336 0.682 1.00 76.57 O +ATOM 114 N GLY A 19 -1.397 -2.803 4.484 1.00 73.50 N +ATOM 115 CA GLY A 19 -0.652 -2.400 5.642 1.00 71.29 C +ATOM 116 C GLY A 19 -0.413 -3.572 6.572 1.00 70.91 C +ATOM 117 O GLY A 19 -0.912 -4.679 6.353 1.00 69.30 O +ATOM 118 N PRO A 20 0.348 -3.332 7.622 1.00 72.21 N +ATOM 119 CA PRO A 20 0.652 -4.399 8.557 1.00 73.25 C +ATOM 120 C PRO A 20 -0.574 -4.808 9.349 1.00 72.51 C +ATOM 121 O PRO A 20 -1.532 -4.054 9.471 1.00 70.82 O +ATOM 122 CB PRO A 20 1.715 -3.786 9.460 1.00 71.56 C +ATOM 123 CG PRO A 20 1.432 -2.333 9.403 1.00 69.71 C +ATOM 124 CD PRO A 20 0.957 -2.065 8.005 1.00 69.06 C +HETATM 125 N HYP A 21 -0.551 -5.995 9.901 1.00 80.26 N +HETATM 126 CA HYP A 21 -1.595 -6.446 10.727 1.00 79.28 C +HETATM 127 C HYP A 21 -1.799 -5.539 11.941 1.00 74.76 C +HETATM 128 O HYP A 21 -0.833 -4.918 12.393 1.00 77.28 O +HETATM 129 CB HYP A 21 -1.097 -7.817 11.183 1.00 74.03 C +HETATM 130 CG HYP A 21 -0.223 -8.274 10.065 1.00 72.43 C +HETATM 131 CD HYP A 21 0.445 -7.000 9.636 1.00 79.06 C +HETATM 132 OD1 HYP A 21 -0.986 -8.778 8.981 1.00 75.74 O +ATOM 133 N GLY A 22 -3.021 -5.369 12.345 1.00 69.71 N +ATOM 134 CA GLY A 22 -3.318 -4.616 13.531 1.00 66.76 C +ATOM 135 C GLY A 22 -2.828 -5.331 14.780 1.00 65.64 C +ATOM 136 O GLY A 22 -2.271 -6.429 14.710 1.00 65.34 O +ATOM 137 N PRO A 23 -3.049 -4.716 15.923 1.00 66.91 N +ATOM 138 CA PRO A 23 -2.631 -5.333 17.173 1.00 72.46 C +ATOM 139 C PRO A 23 -3.361 -6.633 17.427 1.00 71.53 C +ATOM 140 O PRO A 23 -4.485 -6.818 16.965 1.00 70.14 O +ATOM 141 CB PRO A 23 -3.015 -4.294 18.231 1.00 68.48 C +ATOM 142 CG PRO A 23 -3.178 -3.033 17.478 1.00 63.32 C +ATOM 143 CD PRO A 23 -3.672 -3.422 16.126 1.00 64.42 C +HETATM 144 N HYP A 24 -2.820 -7.502 18.190 1.00 74.27 N +HETATM 145 CA HYP A 24 -3.512 -8.708 18.523 1.00 67.22 C +HETATM 146 C HYP A 24 -4.820 -8.427 19.217 1.00 64.49 C +HETATM 147 O HYP A 24 -4.989 -7.271 19.624 1.00 69.57 O +HETATM 148 CB HYP A 24 -2.537 -9.396 19.485 1.00 68.81 C +HETATM 149 CG HYP A 24 -1.199 -8.808 19.179 1.00 71.28 C +HETATM 150 CD HYP A 24 -1.525 -7.390 18.760 1.00 71.00 C +HETATM 151 OD1 HYP A 24 -0.624 -9.484 18.075 1.00 71.31 O +HETATM 152 OXT HYP A 24 -5.630 -9.359 19.395 1.00 67.50 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_102.txt b/protein_pdb_102.txt new file mode 100644 index 0000000000000000000000000000000000000000..1413a615d1489fde174118c4d043b7e4d462883e --- /dev/null +++ b/protein_pdb_102.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 12.007 5.085 -9.501 1.00 82.20 N +ATOM 2 CA GLY A 1 10.722 5.736 -9.643 1.00 82.72 C +ATOM 3 C GLY A 1 10.094 5.991 -8.299 1.00 82.40 C +ATOM 4 O GLY A 1 10.659 5.631 -7.265 1.00 79.49 O +ATOM 5 N PRO A 2 8.930 6.590 -8.295 1.00 86.61 N +ATOM 6 CA PRO A 2 8.264 6.900 -7.034 1.00 86.98 C +ATOM 7 C PRO A 2 7.737 5.651 -6.355 1.00 87.04 C +ATOM 8 O PRO A 2 7.571 4.611 -6.976 1.00 84.70 O +ATOM 9 CB PRO A 2 7.117 7.818 -7.460 1.00 83.87 C +ATOM 10 CG PRO A 2 6.818 7.402 -8.852 1.00 80.32 C +ATOM 11 CD PRO A 2 8.138 7.027 -9.451 1.00 80.69 C +HETATM 12 N HYP A 3 7.513 5.785 -5.126 1.00 86.15 N +HETATM 13 CA HYP A 3 6.868 4.699 -4.360 1.00 87.17 C +HETATM 14 C HYP A 3 5.558 4.321 -4.963 1.00 85.87 C +HETATM 15 O HYP A 3 4.878 5.180 -5.572 1.00 88.77 O +HETATM 16 CB HYP A 3 6.747 5.355 -2.957 1.00 86.02 C +HETATM 17 CG HYP A 3 7.898 6.332 -2.914 1.00 84.27 C +HETATM 18 CD HYP A 3 7.877 6.923 -4.323 1.00 85.34 C +HETATM 19 OD1 HYP A 3 9.092 5.650 -2.714 1.00 85.79 O +ATOM 20 N GLY A 4 5.252 3.059 -4.861 1.00 90.51 N +ATOM 21 CA GLY A 4 3.981 2.595 -5.332 1.00 89.46 C +ATOM 22 C GLY A 4 2.850 3.142 -4.486 1.00 89.32 C +ATOM 23 O GLY A 4 3.070 3.760 -3.445 1.00 88.83 O +ATOM 24 N PRO A 5 1.626 2.916 -4.931 1.00 92.01 N +ATOM 25 CA PRO A 5 0.476 3.400 -4.179 1.00 91.36 C +ATOM 26 C PRO A 5 0.282 2.615 -2.896 1.00 91.23 C +ATOM 27 O PRO A 5 0.798 1.519 -2.739 1.00 90.05 O +ATOM 28 CB PRO A 5 -0.687 3.182 -5.142 1.00 89.75 C +ATOM 29 CG PRO A 5 -0.249 2.036 -5.976 1.00 88.24 C +ATOM 30 CD PRO A 5 1.227 2.190 -6.136 1.00 89.85 C +HETATM 31 N HYP A 6 -0.481 3.210 -2.002 1.00 90.79 N +HETATM 32 CA HYP A 6 -0.814 2.514 -0.760 1.00 93.07 C +HETATM 33 C HYP A 6 -1.522 1.210 -1.031 1.00 91.28 C +HETATM 34 O HYP A 6 -2.281 1.092 -2.027 1.00 91.37 O +HETATM 35 CB HYP A 6 -1.755 3.557 -0.087 1.00 88.31 C +HETATM 36 CG HYP A 6 -1.270 4.890 -0.643 1.00 87.49 C +HETATM 37 CD HYP A 6 -1.004 4.554 -2.091 1.00 89.25 C +HETATM 38 OD1 HYP A 6 -0.073 5.288 -0.036 1.00 87.56 O +ATOM 39 N GLY A 7 -1.208 0.238 -0.229 1.00 90.73 N +ATOM 40 CA GLY A 7 -1.869 -1.029 -0.345 1.00 89.57 C +ATOM 41 C GLY A 7 -3.338 -0.918 0.018 1.00 89.82 C +ATOM 42 O GLY A 7 -3.819 0.131 0.443 1.00 89.54 O +ATOM 43 N PRO A 8 -4.058 -2.025 -0.156 1.00 90.03 N +ATOM 44 CA PRO A 8 -5.479 -2.015 0.148 1.00 89.18 C +ATOM 45 C PRO A 8 -5.733 -1.976 1.643 1.00 89.62 C +ATOM 46 O PRO A 8 -4.894 -2.365 2.444 1.00 88.06 O +ATOM 47 CB PRO A 8 -5.975 -3.320 -0.459 1.00 86.94 C +ATOM 48 CG PRO A 8 -4.786 -4.212 -0.396 1.00 86.74 C +ATOM 49 CD PRO A 8 -3.599 -3.313 -0.629 1.00 87.57 C +HETATM 50 N HYP A 9 -6.933 -1.534 2.009 1.00 85.58 N +HETATM 51 CA HYP A 9 -7.315 -1.507 3.367 1.00 89.69 C +HETATM 52 C HYP A 9 -7.453 -2.940 3.918 1.00 86.19 C +HETATM 53 O HYP A 9 -7.761 -3.864 3.164 1.00 86.94 O +HETATM 54 CB HYP A 9 -8.748 -0.884 3.311 1.00 83.08 C +HETATM 55 CG HYP A 9 -8.727 -0.056 2.071 1.00 83.41 C +HETATM 56 CD HYP A 9 -7.911 -0.858 1.140 1.00 85.88 C +HETATM 57 OD1 HYP A 9 -8.063 1.161 2.330 1.00 85.08 O +ATOM 58 N GLY A 10 -7.195 -3.122 5.163 1.00 89.11 N +ATOM 59 CA GLY A 10 -7.555 -4.358 5.826 1.00 86.19 C +ATOM 60 C GLY A 10 -9.058 -4.410 6.011 1.00 86.09 C +ATOM 61 O GLY A 10 -9.800 -3.570 5.499 1.00 83.05 O +ATOM 62 N ARG A 11 -9.494 -5.390 6.748 1.00 85.68 N +ATOM 63 CA ARG A 11 -10.938 -5.503 6.990 1.00 86.24 C +ATOM 64 C ARG A 11 -11.506 -4.190 7.525 1.00 85.67 C +ATOM 65 O ARG A 11 -12.568 -3.753 7.092 1.00 82.30 O +ATOM 66 CB ARG A 11 -11.224 -6.629 7.967 1.00 83.70 C +ATOM 67 CG ARG A 11 -10.973 -8.002 7.381 1.00 78.09 C +ATOM 68 CD ARG A 11 -11.249 -9.074 8.411 1.00 72.89 C +ATOM 69 NE ARG A 11 -10.979 -10.407 7.875 1.00 72.05 N +ATOM 70 CZ ARG A 11 -11.861 -11.136 7.207 1.00 66.04 C +ATOM 71 NH1 ARG A 11 -13.084 -10.682 6.984 1.00 64.63 N +ATOM 72 NH2 ARG A 11 -11.517 -12.337 6.758 1.00 62.98 N +ATOM 73 N ARG A 12 -10.809 -3.597 8.470 1.00 78.05 N +ATOM 74 CA ARG A 12 -11.121 -2.278 9.003 1.00 80.78 C +ATOM 75 C ARG A 12 -9.858 -1.453 9.180 1.00 82.86 C +ATOM 76 O ARG A 12 -9.914 -0.375 9.767 1.00 76.77 O +ATOM 77 CB ARG A 12 -11.840 -2.389 10.349 1.00 75.45 C +ATOM 78 CG ARG A 12 -13.227 -2.964 10.264 1.00 67.99 C +ATOM 79 CD ARG A 12 -13.863 -3.114 11.627 1.00 64.46 C +ATOM 80 NE ARG A 12 -13.960 -1.849 12.338 1.00 61.77 N +ATOM 81 CZ ARG A 12 -13.161 -1.462 13.335 1.00 57.93 C +ATOM 82 NH1 ARG A 12 -12.188 -2.256 13.769 1.00 54.80 N +ATOM 83 NH2 ARG A 12 -13.342 -0.300 13.896 1.00 52.46 N +ATOM 84 N GLY A 13 -8.748 -1.975 8.688 1.00 87.41 N +ATOM 85 CA GLY A 13 -7.465 -1.358 8.935 1.00 85.54 C +ATOM 86 C GLY A 13 -7.126 -0.263 7.952 1.00 86.03 C +ATOM 87 O GLY A 13 -7.848 -0.030 6.984 1.00 85.94 O +ATOM 88 N PRO A 14 -6.032 0.411 8.214 1.00 88.32 N +ATOM 89 CA PRO A 14 -5.579 1.459 7.318 1.00 87.55 C +ATOM 90 C PRO A 14 -5.041 0.881 6.027 1.00 87.41 C +ATOM 91 O PRO A 14 -4.798 -0.318 5.919 1.00 85.66 O +ATOM 92 CB PRO A 14 -4.469 2.137 8.114 1.00 84.76 C +ATOM 93 CG PRO A 14 -3.914 1.043 8.952 1.00 84.53 C +ATOM 94 CD PRO A 14 -5.092 0.194 9.316 1.00 84.27 C +HETATM 95 N HYP A 15 -4.866 1.763 5.089 1.00 85.45 N +HETATM 96 CA HYP A 15 -4.219 1.359 3.866 1.00 86.85 C +HETATM 97 C HYP A 15 -2.888 0.746 4.125 1.00 85.55 C +HETATM 98 O HYP A 15 -2.242 1.111 5.139 1.00 86.86 O +HETATM 99 CB HYP A 15 -4.167 2.734 3.138 1.00 82.80 C +HETATM 100 CG HYP A 15 -5.329 3.525 3.713 1.00 81.93 C +HETATM 101 CD HYP A 15 -5.335 3.108 5.155 1.00 86.96 C +HETATM 102 OD1 HYP A 15 -6.527 3.149 3.099 1.00 85.32 O +ATOM 103 N GLY A 16 -2.510 -0.174 3.298 1.00 89.82 N +ATOM 104 CA GLY A 16 -1.207 -0.758 3.409 1.00 88.39 C +ATOM 105 C GLY A 16 -0.124 0.249 3.103 1.00 89.32 C +ATOM 106 O GLY A 16 -0.395 1.375 2.685 1.00 89.29 O +ATOM 107 N PRO A 17 1.123 -0.167 3.316 1.00 91.04 N +ATOM 108 CA PRO A 17 2.230 0.733 3.057 1.00 90.45 C +ATOM 109 C PRO A 17 2.419 0.961 1.568 1.00 91.02 C +ATOM 110 O PRO A 17 1.970 0.176 0.740 1.00 90.15 O +ATOM 111 CB PRO A 17 3.427 -0.003 3.660 1.00 88.93 C +ATOM 112 CG PRO A 17 3.044 -1.435 3.579 1.00 88.50 C +ATOM 113 CD PRO A 17 1.561 -1.472 3.790 1.00 89.39 C +HETATM 114 N HYP A 18 3.078 2.036 1.237 1.00 89.35 N +HETATM 115 CA HYP A 18 3.429 2.291 -0.118 1.00 91.69 C +HETATM 116 C HYP A 18 4.215 1.182 -0.723 1.00 90.97 C +HETATM 117 O HYP A 18 4.979 0.491 -0.016 1.00 89.27 O +HETATM 118 CB HYP A 18 4.222 3.578 0.001 1.00 88.75 C +HETATM 119 CG HYP A 18 3.682 4.247 1.229 1.00 87.09 C +HETATM 120 CD HYP A 18 3.446 3.095 2.142 1.00 89.59 C +HETATM 121 OD1 HYP A 18 2.445 4.879 0.936 1.00 87.66 O +ATOM 122 N GLY A 19 4.025 0.956 -1.987 1.00 90.23 N +ATOM 123 CA GLY A 19 4.791 -0.020 -2.700 1.00 89.48 C +ATOM 124 C GLY A 19 6.241 0.401 -2.819 1.00 90.01 C +ATOM 125 O GLY A 19 6.617 1.516 -2.468 1.00 89.55 O +ATOM 126 N PRO A 20 7.058 -0.512 -3.317 1.00 91.10 N +ATOM 127 CA PRO A 20 8.468 -0.201 -3.468 1.00 90.45 C +ATOM 128 C PRO A 20 8.698 0.805 -4.578 1.00 90.84 C +ATOM 129 O PRO A 20 7.859 0.998 -5.447 1.00 89.79 O +ATOM 130 CB PRO A 20 9.085 -1.558 -3.811 1.00 88.21 C +ATOM 131 CG PRO A 20 7.983 -2.303 -4.451 1.00 86.92 C +ATOM 132 CD PRO A 20 6.724 -1.853 -3.770 1.00 88.18 C +HETATM 133 N HYP A 21 9.825 1.454 -4.534 1.00 87.98 N +HETATM 134 CA HYP A 21 10.212 2.353 -5.573 1.00 89.37 C +HETATM 135 C HYP A 21 10.227 1.713 -6.955 1.00 88.17 C +HETATM 136 O HYP A 21 10.552 0.525 -7.041 1.00 91.43 O +HETATM 137 CB HYP A 21 11.589 2.794 -5.178 1.00 86.98 C +HETATM 138 CG HYP A 21 11.597 2.630 -3.686 1.00 85.67 C +HETATM 139 CD HYP A 21 10.812 1.388 -3.464 1.00 88.57 C +HETATM 140 OD1 HYP A 21 10.899 3.702 -3.056 1.00 88.65 O +ATOM 141 N GLY A 22 9.777 2.417 -7.939 1.00 90.33 N +ATOM 142 CA GLY A 22 9.808 1.928 -9.284 1.00 89.36 C +ATOM 143 C GLY A 22 11.229 1.795 -9.796 1.00 89.43 C +ATOM 144 O GLY A 22 12.185 2.156 -9.110 1.00 88.26 O +ATOM 145 N PRO A 23 11.377 1.286 -11.003 1.00 91.12 N +ATOM 146 CA PRO A 23 12.710 1.134 -11.570 1.00 91.16 C +ATOM 147 C PRO A 23 13.334 2.486 -11.849 1.00 90.63 C +ATOM 148 O PRO A 23 12.647 3.488 -12.016 1.00 87.80 O +ATOM 149 CB PRO A 23 12.462 0.352 -12.855 1.00 88.21 C +ATOM 150 CG PRO A 23 11.069 0.699 -13.228 1.00 86.54 C +ATOM 151 CD PRO A 23 10.334 0.875 -11.933 1.00 88.44 C +HETATM 152 N HYP A 24 14.600 2.552 -11.936 1.00 89.45 N +HETATM 153 CA HYP A 24 15.230 3.803 -12.234 1.00 84.43 C +HETATM 154 C HYP A 24 14.521 4.577 -13.276 1.00 83.47 C +HETATM 155 O HYP A 24 14.735 4.333 -14.473 1.00 85.28 O +HETATM 156 CB HYP A 24 16.662 3.467 -12.517 1.00 87.32 C +HETATM 157 CG HYP A 24 16.897 2.163 -11.851 1.00 86.01 C +HETATM 158 CD HYP A 24 15.553 1.457 -11.901 1.00 88.29 C +HETATM 159 OD1 HYP A 24 17.220 2.376 -10.477 1.00 85.35 O +HETATM 160 OXT HYP A 24 13.687 5.382 -12.813 1.00 83.99 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_103.txt b/protein_pdb_103.txt new file mode 100644 index 0000000000000000000000000000000000000000..5ae3be8c6feea5987c9a90cd8e51d80f2d7ca2c3 --- /dev/null +++ b/protein_pdb_103.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 18.144 -29.882 5.805 1.00 81.30 N +ATOM 2 CA GLY A 1 18.651 -28.525 6.008 1.00 83.92 C +ATOM 3 C GLY A 1 17.585 -27.615 6.557 1.00 84.54 C +ATOM 4 O GLY A 1 16.412 -27.986 6.625 1.00 82.41 O +ATOM 5 N PRO A 2 17.935 -26.383 6.950 1.00 86.62 N +ATOM 6 CA PRO A 2 16.956 -25.443 7.504 1.00 89.68 C +ATOM 7 C PRO A 2 15.994 -24.935 6.443 1.00 89.70 C +ATOM 8 O PRO A 2 16.293 -24.946 5.252 1.00 88.38 O +ATOM 9 CB PRO A 2 17.833 -24.315 8.062 1.00 87.39 C +ATOM 10 CG PRO A 2 19.034 -24.348 7.185 1.00 82.15 C +ATOM 11 CD PRO A 2 19.284 -25.818 6.933 1.00 82.72 C +HETATM 12 N HYP A 3 14.911 -24.573 6.846 1.00 86.67 N +HETATM 13 CA HYP A 3 13.855 -23.903 5.968 1.00 84.76 C +HETATM 14 C HYP A 3 14.342 -22.634 5.298 1.00 86.58 C +HETATM 15 O HYP A 3 15.170 -21.907 5.862 1.00 85.99 O +HETATM 16 CB HYP A 3 12.769 -23.605 6.993 1.00 85.17 C +HETATM 17 CG HYP A 3 12.981 -24.571 8.162 1.00 82.91 C +HETATM 18 CD HYP A 3 14.525 -24.680 8.243 1.00 85.63 C +HETATM 19 OD1 HYP A 3 12.473 -25.835 7.864 1.00 85.76 O +ATOM 20 N GLY A 4 13.831 -22.343 4.121 1.00 87.22 N +ATOM 21 CA GLY A 4 14.176 -21.134 3.413 1.00 85.67 C +ATOM 22 C GLY A 4 13.519 -19.928 4.066 1.00 85.44 C +ATOM 23 O GLY A 4 12.651 -20.069 4.929 1.00 85.85 O +ATOM 24 N PRO A 5 13.906 -18.728 3.656 1.00 87.64 N +ATOM 25 CA PRO A 5 13.332 -17.513 4.232 1.00 88.59 C +ATOM 26 C PRO A 5 11.902 -17.284 3.763 1.00 88.30 C +ATOM 27 O PRO A 5 11.488 -17.785 2.720 1.00 86.92 O +ATOM 28 CB PRO A 5 14.271 -16.411 3.745 1.00 86.45 C +ATOM 29 CG PRO A 5 14.738 -16.937 2.428 1.00 84.00 C +ATOM 30 CD PRO A 5 14.928 -18.425 2.662 1.00 85.28 C +HETATM 31 N HYP A 6 11.149 -16.564 4.561 1.00 87.88 N +HETATM 32 CA HYP A 6 9.792 -16.127 4.122 1.00 89.26 C +HETATM 33 C HYP A 6 9.802 -15.310 2.877 1.00 86.75 C +HETATM 34 O HYP A 6 10.783 -14.596 2.583 1.00 84.44 O +HETATM 35 CB HYP A 6 9.337 -15.283 5.353 1.00 84.66 C +HETATM 36 CG HYP A 6 10.086 -15.817 6.535 1.00 83.98 C +HETATM 37 CD HYP A 6 11.437 -16.129 5.921 1.00 86.54 C +HETATM 38 OD1 HYP A 6 9.507 -16.998 7.041 1.00 83.85 O +ATOM 39 N GLY A 7 8.731 -15.344 2.073 1.00 89.62 N +ATOM 40 CA GLY A 7 8.611 -14.589 0.849 1.00 87.86 C +ATOM 41 C GLY A 7 8.488 -13.105 1.133 1.00 87.83 C +ATOM 42 O GLY A 7 8.305 -12.683 2.278 1.00 87.50 O +ATOM 43 N PRO A 8 8.576 -12.285 0.094 1.00 85.14 N +ATOM 44 CA PRO A 8 8.481 -10.840 0.271 1.00 86.07 C +ATOM 45 C PRO A 8 7.058 -10.409 0.620 1.00 85.23 C +ATOM 46 O PRO A 8 6.096 -11.125 0.349 1.00 84.05 O +ATOM 47 CB PRO A 8 8.928 -10.282 -1.077 1.00 84.16 C +ATOM 48 CG PRO A 8 8.518 -11.356 -2.030 1.00 83.32 C +ATOM 49 CD PRO A 8 8.818 -12.642 -1.292 1.00 84.42 C +HETATM 50 N HYP A 9 6.918 -9.234 1.212 1.00 80.97 N +HETATM 51 CA HYP A 9 5.604 -8.668 1.482 1.00 85.69 C +HETATM 52 C HYP A 9 4.841 -8.423 0.252 1.00 82.95 C +HETATM 53 O HYP A 9 5.396 -8.107 -0.788 1.00 79.85 O +HETATM 54 CB HYP A 9 5.987 -7.329 2.172 1.00 81.26 C +HETATM 55 CG HYP A 9 7.350 -7.532 2.735 1.00 80.42 C +HETATM 56 CD HYP A 9 7.977 -8.424 1.732 1.00 83.50 C +HETATM 57 OD1 HYP A 9 7.295 -8.184 3.996 1.00 81.81 O +ATOM 58 N GLY A 10 3.499 -8.461 0.336 1.00 84.44 N +ATOM 59 CA GLY A 10 2.622 -8.213 -0.782 1.00 81.68 C +ATOM 60 C GLY A 10 2.733 -6.776 -1.271 1.00 81.50 C +ATOM 61 O GLY A 10 3.367 -5.936 -0.631 1.00 80.40 O +ATOM 62 N PRO A 11 2.090 -6.469 -2.404 1.00 81.89 N +ATOM 63 CA PRO A 11 2.157 -5.114 -2.949 1.00 82.24 C +ATOM 64 C PRO A 11 1.384 -4.110 -2.105 1.00 80.69 C +ATOM 65 O PRO A 11 0.452 -4.455 -1.382 1.00 79.04 O +ATOM 66 CB PRO A 11 1.550 -5.265 -4.347 1.00 80.51 C +ATOM 67 CG PRO A 11 0.585 -6.385 -4.170 1.00 80.92 C +ATOM 68 CD PRO A 11 1.299 -7.351 -3.247 1.00 81.05 C +ATOM 69 N CYS A 12 1.799 -2.853 -2.207 1.00 81.04 N +ATOM 70 CA CYS A 12 1.133 -1.775 -1.494 1.00 82.05 C +ATOM 71 C CYS A 12 -0.278 -1.608 -2.038 1.00 82.74 C +ATOM 72 O CYS A 12 -0.524 -1.858 -3.221 1.00 79.02 O +ATOM 73 CB CYS A 12 1.920 -0.472 -1.658 1.00 76.95 C +ATOM 74 SG CYS A 12 1.317 0.883 -0.651 1.00 68.75 S +ATOM 75 N GLY A 13 -1.197 -1.208 -1.168 1.00 81.49 N +ATOM 76 CA GLY A 13 -2.566 -0.997 -1.590 1.00 80.61 C +ATOM 77 C GLY A 13 -2.711 0.194 -2.517 1.00 81.13 C +ATOM 78 O GLY A 13 -1.753 0.936 -2.746 1.00 81.32 O +ATOM 79 N PRO A 14 -3.918 0.412 -3.067 1.00 81.62 N +ATOM 80 CA PRO A 14 -4.150 1.529 -3.979 1.00 83.95 C +ATOM 81 C PRO A 14 -4.131 2.861 -3.254 1.00 83.64 C +ATOM 82 O PRO A 14 -4.265 2.923 -2.037 1.00 83.87 O +ATOM 83 CB PRO A 14 -5.530 1.226 -4.561 1.00 82.89 C +ATOM 84 CG PRO A 14 -6.208 0.476 -3.470 1.00 80.06 C +ATOM 85 CD PRO A 14 -5.117 -0.404 -2.896 1.00 79.31 C +HETATM 86 N HYP A 15 -3.977 3.972 -4.009 1.00 81.97 N +HETATM 87 CA HYP A 15 -4.014 5.285 -3.467 1.00 77.48 C +HETATM 88 C HYP A 15 -5.346 5.638 -2.774 1.00 83.27 C +HETATM 89 O HYP A 15 -6.384 5.056 -3.135 1.00 76.75 O +HETATM 90 CB HYP A 15 -3.843 6.150 -4.720 1.00 80.67 C +HETATM 91 CG HYP A 15 -3.074 5.268 -5.645 1.00 78.23 C +HETATM 92 CD HYP A 15 -3.683 3.936 -5.370 1.00 81.37 C +HETATM 93 OD1 HYP A 15 -1.719 5.260 -5.346 1.00 80.79 O +ATOM 94 N GLY A 16 -5.294 6.437 -1.775 1.00 84.21 N +ATOM 95 CA GLY A 16 -6.484 6.836 -1.075 1.00 82.76 C +ATOM 96 C GLY A 16 -7.373 7.695 -1.955 1.00 83.82 C +ATOM 97 O GLY A 16 -6.974 8.104 -3.049 1.00 84.26 O +ATOM 98 N PRO A 17 -8.600 7.975 -1.498 1.00 81.40 N +ATOM 99 CA PRO A 17 -9.525 8.781 -2.286 1.00 84.18 C +ATOM 100 C PRO A 17 -9.106 10.238 -2.343 1.00 84.03 C +ATOM 101 O PRO A 17 -8.396 10.730 -1.472 1.00 84.00 O +ATOM 102 CB PRO A 17 -10.860 8.599 -1.553 1.00 83.41 C +ATOM 103 CG PRO A 17 -10.436 8.392 -0.138 1.00 80.45 C +ATOM 104 CD PRO A 17 -9.197 7.533 -0.243 1.00 80.12 C +HETATM 105 N HYP A 18 -9.542 10.971 -3.346 1.00 82.26 N +HETATM 106 CA HYP A 18 -9.322 12.389 -3.460 1.00 84.89 C +HETATM 107 C HYP A 18 -10.008 13.179 -2.336 1.00 81.46 C +HETATM 108 O HYP A 18 -11.001 12.735 -1.753 1.00 84.27 O +HETATM 109 CB HYP A 18 -10.001 12.708 -4.789 1.00 82.17 C +HETATM 110 CG HYP A 18 -9.910 11.450 -5.584 1.00 80.91 C +HETATM 111 CD HYP A 18 -10.126 10.416 -4.538 1.00 83.08 C +HETATM 112 OD1 HYP A 18 -8.647 11.289 -6.161 1.00 84.19 O +ATOM 113 N GLY A 19 -9.452 14.315 -2.004 1.00 87.21 N +ATOM 114 CA GLY A 19 -10.015 15.169 -0.993 1.00 86.47 C +ATOM 115 C GLY A 19 -11.341 15.746 -1.453 1.00 86.83 C +ATOM 116 O GLY A 19 -11.747 15.562 -2.603 1.00 86.08 O +ATOM 117 N PRO A 20 -12.036 16.472 -0.565 1.00 81.21 N +ATOM 118 CA PRO A 20 -13.329 17.043 -0.908 1.00 81.88 C +ATOM 119 C PRO A 20 -13.204 18.168 -1.924 1.00 81.03 C +ATOM 120 O PRO A 20 -12.152 18.794 -2.054 1.00 79.64 O +ATOM 121 CB PRO A 20 -13.863 17.536 0.438 1.00 78.92 C +ATOM 122 CG PRO A 20 -12.625 17.843 1.206 1.00 76.48 C +ATOM 123 CD PRO A 20 -11.657 16.746 0.817 1.00 76.65 C +HETATM 124 N HYP A 21 -14.246 18.464 -2.636 1.00 88.08 N +HETATM 125 CA HYP A 21 -14.310 19.550 -3.618 1.00 86.45 C +HETATM 126 C HYP A 21 -14.187 20.940 -2.998 1.00 87.49 C +HETATM 127 O HYP A 21 -14.575 21.136 -1.845 1.00 85.56 O +HETATM 128 CB HYP A 21 -15.764 19.415 -4.166 1.00 85.18 C +HETATM 129 CG HYP A 21 -16.159 17.989 -3.933 1.00 83.54 C +HETATM 130 CD HYP A 21 -15.461 17.662 -2.640 1.00 86.18 C +HETATM 131 OD1 HYP A 21 -15.634 17.162 -4.953 1.00 84.04 O +ATOM 132 N GLY A 22 -13.595 21.862 -3.690 1.00 84.84 N +ATOM 133 CA GLY A 22 -13.480 23.221 -3.239 1.00 84.06 C +ATOM 134 C GLY A 22 -14.840 23.908 -3.297 1.00 83.84 C +ATOM 135 O GLY A 22 -15.818 23.322 -3.761 1.00 82.75 O +ATOM 136 N PRO A 23 -14.914 25.178 -2.897 1.00 82.54 N +ATOM 137 CA PRO A 23 -16.188 25.893 -2.922 1.00 83.86 C +ATOM 138 C PRO A 23 -16.611 26.214 -4.337 1.00 83.04 C +ATOM 139 O PRO A 23 -15.786 26.271 -5.252 1.00 79.82 O +ATOM 140 CB PRO A 23 -15.890 27.152 -2.102 1.00 79.89 C +ATOM 141 CG PRO A 23 -14.440 27.377 -2.339 1.00 77.15 C +ATOM 142 CD PRO A 23 -13.837 25.983 -2.341 1.00 77.87 C +HETATM 143 N HYP A 24 -17.899 26.506 -4.577 1.00 84.36 N +HETATM 144 CA HYP A 24 -18.317 26.820 -5.926 1.00 83.93 C +HETATM 145 C HYP A 24 -17.619 27.952 -6.519 1.00 80.96 C +HETATM 146 O HYP A 24 -17.676 29.051 -5.959 1.00 80.25 O +HETATM 147 CB HYP A 24 -19.851 27.103 -5.821 1.00 84.32 C +HETATM 148 CG HYP A 24 -20.267 26.450 -4.555 1.00 82.69 C +HETATM 149 CD HYP A 24 -19.003 26.524 -3.654 1.00 83.67 C +HETATM 150 OD1 HYP A 24 -20.541 25.092 -4.798 1.00 81.34 O +HETATM 151 OXT HYP A 24 -16.978 27.694 -7.554 1.00 77.87 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_104.txt b/protein_pdb_104.txt new file mode 100644 index 0000000000000000000000000000000000000000..7f6fc786c55a9773c432262b511567e174f9205b --- /dev/null +++ b/protein_pdb_104.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 24.962 -23.594 10.166 1.00 92.34 N +ATOM 2 CA GLY A 1 23.953 -23.831 9.130 1.00 93.12 C +ATOM 3 C GLY A 1 23.874 -22.668 8.168 1.00 93.83 C +ATOM 4 O GLY A 1 24.494 -21.624 8.391 1.00 91.79 O +ATOM 5 N PRO A 2 23.120 -22.796 7.093 1.00 95.01 N +ATOM 6 CA PRO A 2 22.982 -21.712 6.119 1.00 95.46 C +ATOM 7 C PRO A 2 22.163 -20.564 6.684 1.00 95.82 C +ATOM 8 O PRO A 2 21.396 -20.734 7.631 1.00 94.23 O +ATOM 9 CB PRO A 2 22.279 -22.382 4.939 1.00 93.58 C +ATOM 10 CG PRO A 2 21.477 -23.466 5.582 1.00 91.30 C +ATOM 11 CD PRO A 2 22.349 -23.973 6.703 1.00 93.02 C +HETATM 12 N HYP A 3 22.345 -19.394 6.127 1.00 96.35 N +HETATM 13 CA HYP A 3 21.549 -18.245 6.487 1.00 96.16 C +HETATM 14 C HYP A 3 20.067 -18.525 6.296 1.00 96.99 C +HETATM 15 O HYP A 3 19.685 -19.258 5.372 1.00 95.40 O +HETATM 16 CB HYP A 3 21.990 -17.172 5.503 1.00 95.26 C +HETATM 17 CG HYP A 3 23.363 -17.572 5.070 1.00 93.94 C +HETATM 18 CD HYP A 3 23.270 -19.100 5.040 1.00 95.88 C +HETATM 19 OD1 HYP A 3 24.328 -17.182 5.991 1.00 94.54 O +ATOM 20 N GLY A 4 19.276 -17.942 7.180 1.00 97.02 N +ATOM 21 CA GLY A 4 17.844 -18.087 7.051 1.00 96.79 C +ATOM 22 C GLY A 4 17.337 -17.332 5.832 1.00 96.91 C +ATOM 23 O GLY A 4 18.061 -16.527 5.237 1.00 96.56 O +ATOM 24 N PRO A 5 16.091 -17.576 5.458 1.00 96.80 N +ATOM 25 CA PRO A 5 15.527 -16.892 4.293 1.00 96.79 C +ATOM 26 C PRO A 5 15.255 -15.426 4.594 1.00 97.00 C +ATOM 27 O PRO A 5 15.149 -15.029 5.749 1.00 96.58 O +ATOM 28 CB PRO A 5 14.238 -17.667 4.015 1.00 95.90 C +ATOM 29 CG PRO A 5 13.845 -18.156 5.363 1.00 94.61 C +ATOM 30 CD PRO A 5 15.142 -18.508 6.054 1.00 95.99 C +HETATM 31 N HYP A 6 15.151 -14.616 3.557 1.00 97.25 N +HETATM 32 CA HYP A 6 14.721 -13.228 3.724 1.00 97.08 C +HETATM 33 C HYP A 6 13.376 -13.101 4.355 1.00 97.58 C +HETATM 34 O HYP A 6 12.539 -13.986 4.183 1.00 96.76 O +HETATM 35 CB HYP A 6 14.689 -12.691 2.270 1.00 95.81 C +HETATM 36 CG HYP A 6 15.649 -13.569 1.536 1.00 94.54 C +HETATM 37 CD HYP A 6 15.455 -14.916 2.200 1.00 96.21 C +HETATM 38 OD1 HYP A 6 16.971 -13.130 1.723 1.00 93.01 O +ATOM 39 N GLY A 7 13.168 -12.042 5.116 1.00 97.44 N +ATOM 40 CA GLY A 7 11.892 -11.817 5.750 1.00 97.17 C +ATOM 41 C GLY A 7 10.811 -11.570 4.719 1.00 97.31 C +ATOM 42 O GLY A 7 11.094 -11.353 3.533 1.00 97.05 O +ATOM 43 N PRO A 8 9.563 -11.591 5.156 1.00 97.21 N +ATOM 44 CA PRO A 8 8.455 -11.353 4.233 1.00 97.19 C +ATOM 45 C PRO A 8 8.392 -9.893 3.802 1.00 97.11 C +ATOM 46 O PRO A 8 8.920 -9.010 4.475 1.00 96.48 O +ATOM 47 CB PRO A 8 7.227 -11.752 5.045 1.00 96.44 C +ATOM 48 CG PRO A 8 7.639 -11.466 6.450 1.00 95.61 C +ATOM 49 CD PRO A 8 9.095 -11.853 6.514 1.00 96.84 C +HETATM 50 N HYP A 9 7.774 -9.594 2.709 1.00 97.28 N +HETATM 51 CA HYP A 9 7.500 -8.250 2.256 1.00 97.17 C +HETATM 52 C HYP A 9 6.669 -7.518 3.222 1.00 97.39 C +HETATM 53 O HYP A 9 5.829 -8.089 3.889 1.00 96.62 O +HETATM 54 CB HYP A 9 6.733 -8.459 0.919 1.00 96.04 C +HETATM 55 CG HYP A 9 7.256 -9.756 0.437 1.00 95.06 C +HETATM 56 CD HYP A 9 7.420 -10.543 1.701 1.00 96.19 C +HETATM 57 OD1 HYP A 9 8.513 -9.592 -0.189 1.00 93.12 O +ATOM 58 N GLY A 10 6.901 -6.208 3.330 1.00 97.16 N +ATOM 59 CA GLY A 10 6.132 -5.377 4.223 1.00 96.72 C +ATOM 60 C GLY A 10 4.668 -5.341 3.823 1.00 97.10 C +ATOM 61 O GLY A 10 4.296 -5.707 2.707 1.00 96.66 O +ATOM 62 N ALA A 11 3.849 -4.881 4.748 1.00 96.93 N +ATOM 63 CA ALA A 11 2.419 -4.775 4.480 1.00 96.88 C +ATOM 64 C ALA A 11 2.157 -3.704 3.424 1.00 97.37 C +ATOM 65 O ALA A 11 2.926 -2.747 3.293 1.00 96.63 O +ATOM 66 CB ALA A 11 1.672 -4.427 5.761 1.00 95.50 C +ATOM 67 N PRO A 12 1.052 -3.818 2.665 1.00 96.75 N +ATOM 68 CA PRO A 12 0.724 -2.784 1.686 1.00 96.62 C +ATOM 69 C PRO A 12 0.522 -1.442 2.383 1.00 96.89 C +ATOM 70 O PRO A 12 0.143 -1.390 3.555 1.00 95.94 O +ATOM 71 CB PRO A 12 -0.581 -3.280 1.048 1.00 95.57 C +ATOM 72 CG PRO A 12 -0.541 -4.755 1.232 1.00 94.44 C +ATOM 73 CD PRO A 12 0.106 -4.948 2.572 1.00 95.84 C +ATOM 74 N GLY A 13 0.800 -0.384 1.654 1.00 96.66 N +ATOM 75 CA GLY A 13 0.594 0.943 2.197 1.00 96.16 C +ATOM 76 C GLY A 13 -0.881 1.254 2.358 1.00 96.76 C +ATOM 77 O GLY A 13 -1.741 0.492 1.907 1.00 96.68 O +ATOM 78 N PRO A 14 -1.194 2.378 3.002 1.00 96.43 N +ATOM 79 CA PRO A 14 -2.591 2.746 3.203 1.00 96.37 C +ATOM 80 C PRO A 14 -3.243 3.191 1.900 1.00 96.60 C +ATOM 81 O PRO A 14 -2.563 3.531 0.937 1.00 96.06 O +ATOM 82 CB PRO A 14 -2.508 3.900 4.203 1.00 95.50 C +ATOM 83 CG PRO A 14 -1.184 4.521 3.913 1.00 94.49 C +ATOM 84 CD PRO A 14 -0.276 3.358 3.594 1.00 95.65 C +HETATM 85 N HYP A 15 -4.559 3.198 1.836 1.00 96.19 N +HETATM 86 CA HYP A 15 -5.297 3.718 0.710 1.00 96.35 C +HETATM 87 C HYP A 15 -4.980 5.143 0.411 1.00 96.99 C +HETATM 88 O HYP A 15 -4.654 5.905 1.333 1.00 95.58 O +HETATM 89 CB HYP A 15 -6.733 3.539 1.129 1.00 95.83 C +HETATM 90 CG HYP A 15 -6.685 2.400 2.099 1.00 94.52 C +HETATM 91 CD HYP A 15 -5.404 2.626 2.800 1.00 96.05 C +HETATM 92 OD1 HYP A 15 -6.649 1.151 1.443 1.00 94.44 O +ATOM 93 N GLY A 16 -5.047 5.528 -0.813 1.00 96.43 N +ATOM 94 CA GLY A 16 -4.833 6.907 -1.183 1.00 95.78 C +ATOM 95 C GLY A 16 -5.969 7.780 -0.674 1.00 96.00 C +ATOM 96 O GLY A 16 -6.976 7.284 -0.156 1.00 95.98 O +ATOM 97 N PRO A 17 -5.818 9.093 -0.827 1.00 95.94 N +ATOM 98 CA PRO A 17 -6.856 10.009 -0.358 1.00 95.57 C +ATOM 99 C PRO A 17 -8.108 9.925 -1.215 1.00 95.52 C +ATOM 100 O PRO A 17 -8.071 9.453 -2.344 1.00 94.69 O +ATOM 101 CB PRO A 17 -6.183 11.380 -0.468 1.00 94.13 C +ATOM 102 CG PRO A 17 -5.210 11.202 -1.580 1.00 93.37 C +ATOM 103 CD PRO A 17 -4.681 9.800 -1.421 1.00 95.21 C +HETATM 104 N HYP A 18 -9.221 10.383 -0.721 1.00 96.65 N +HETATM 105 CA HYP A 18 -10.453 10.457 -1.440 1.00 96.29 C +HETATM 106 C HYP A 18 -10.350 11.306 -2.689 1.00 96.78 C +HETATM 107 O HYP A 18 -9.610 12.309 -2.708 1.00 95.64 O +HETATM 108 CB HYP A 18 -11.428 11.086 -0.478 1.00 95.50 C +HETATM 109 CG HYP A 18 -10.858 10.761 0.883 1.00 94.14 C +HETATM 110 CD HYP A 18 -9.373 10.806 0.627 1.00 95.72 C +HETATM 111 OD1 HYP A 18 -11.227 9.470 1.271 1.00 93.51 O +ATOM 112 N GLY A 19 -11.036 10.912 -3.730 1.00 95.72 N +ATOM 113 CA GLY A 19 -11.041 11.678 -4.946 1.00 95.25 C +ATOM 114 C GLY A 19 -11.775 12.994 -4.735 1.00 95.52 C +ATOM 115 O GLY A 19 -12.383 13.230 -3.691 1.00 95.17 O +ATOM 116 N PRO A 20 -11.743 13.869 -5.740 1.00 95.22 N +ATOM 117 CA PRO A 20 -12.408 15.160 -5.621 1.00 94.76 C +ATOM 118 C PRO A 20 -13.918 15.000 -5.653 1.00 94.61 C +ATOM 119 O PRO A 20 -14.442 13.993 -6.118 1.00 93.13 O +ATOM 120 CB PRO A 20 -11.887 15.933 -6.833 1.00 93.06 C +ATOM 121 CG PRO A 20 -11.575 14.866 -7.820 1.00 91.76 C +ATOM 122 CD PRO A 20 -11.039 13.718 -7.015 1.00 94.23 C +HETATM 123 N HYP A 21 -14.653 15.987 -5.180 1.00 95.55 N +HETATM 124 CA HYP A 21 -16.088 15.989 -5.207 1.00 94.86 C +HETATM 125 C HYP A 21 -16.644 15.910 -6.610 1.00 96.19 C +HETATM 126 O HYP A 21 -16.039 16.481 -7.541 1.00 94.79 O +HETATM 127 CB HYP A 21 -16.495 17.332 -4.603 1.00 93.99 C +HETATM 128 CG HYP A 21 -15.331 17.694 -3.698 1.00 93.49 C +HETATM 129 CD HYP A 21 -14.139 17.155 -4.451 1.00 94.39 C +HETATM 130 OD1 HYP A 21 -15.421 17.009 -2.453 1.00 91.72 O +ATOM 131 N GLY A 22 -17.732 15.191 -6.795 1.00 92.42 N +ATOM 132 CA GLY A 22 -18.358 15.098 -8.087 1.00 91.49 C +ATOM 133 C GLY A 22 -18.952 16.443 -8.491 1.00 91.72 C +ATOM 134 O GLY A 22 -19.036 17.368 -7.678 1.00 90.40 O +ATOM 135 N PRO A 23 -19.418 16.556 -9.737 1.00 91.90 N +ATOM 136 CA PRO A 23 -19.992 17.814 -10.203 1.00 91.96 C +ATOM 137 C PRO A 23 -21.367 18.038 -9.600 1.00 91.54 C +ATOM 138 O PRO A 23 -22.020 17.100 -9.144 1.00 88.11 O +ATOM 139 CB PRO A 23 -20.058 17.625 -11.719 1.00 88.60 C +ATOM 140 CG PRO A 23 -20.232 16.154 -11.875 1.00 85.67 C +ATOM 141 CD PRO A 23 -19.379 15.538 -10.789 1.00 88.66 C +HETATM 142 N HYP A 24 -21.865 19.250 -9.629 1.00 92.48 N +HETATM 143 CA HYP A 24 -23.207 19.507 -9.167 1.00 90.63 C +HETATM 144 C HYP A 24 -24.249 18.901 -10.091 1.00 90.85 C +HETATM 145 O HYP A 24 -23.978 18.849 -11.293 1.00 87.90 O +HETATM 146 CB HYP A 24 -23.379 21.049 -9.211 1.00 90.07 C +HETATM 147 CG HYP A 24 -21.996 21.617 -9.289 1.00 89.41 C +HETATM 148 CD HYP A 24 -21.158 20.485 -9.939 1.00 90.40 C +HETATM 149 OD1 HYP A 24 -21.499 21.792 -7.963 1.00 85.23 O +HETATM 150 OXT HYP A 24 -25.332 18.551 -9.618 1.00 81.90 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_105.txt b/protein_pdb_105.txt new file mode 100644 index 0000000000000000000000000000000000000000..dc3e6772f3d4a419b02cc19201589bbc74604910 --- /dev/null +++ b/protein_pdb_105.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -8.247 14.124 -0.830 1.00 87.44 N +ATOM 2 CA GLY A 1 -8.781 13.023 -1.614 1.00 89.64 C +ATOM 3 C GLY A 1 -8.944 11.781 -0.772 1.00 90.52 C +ATOM 4 O GLY A 1 -8.647 11.800 0.420 1.00 87.69 O +ATOM 5 N PRO A 2 -9.381 10.691 -1.369 1.00 89.83 N +ATOM 6 CA PRO A 2 -9.595 9.454 -0.621 1.00 91.29 C +ATOM 7 C PRO A 2 -8.291 8.811 -0.196 1.00 91.21 C +ATOM 8 O PRO A 2 -7.235 9.090 -0.745 1.00 89.35 O +ATOM 9 CB PRO A 2 -10.364 8.577 -1.609 1.00 88.17 C +ATOM 10 CG PRO A 2 -9.909 9.066 -2.935 1.00 85.06 C +ATOM 11 CD PRO A 2 -9.749 10.551 -2.773 1.00 87.22 C +HETATM 12 N HYP A 3 -8.401 7.983 0.773 1.00 91.05 N +HETATM 13 CA HYP A 3 -7.244 7.203 1.218 1.00 88.55 C +HETATM 14 C HYP A 3 -6.683 6.354 0.098 1.00 91.49 C +HETATM 15 O HYP A 3 -7.458 5.883 -0.789 1.00 92.93 O +HETATM 16 CB HYP A 3 -7.850 6.304 2.329 1.00 89.62 C +HETATM 17 CG HYP A 3 -9.037 7.097 2.851 1.00 86.85 C +HETATM 18 CD HYP A 3 -9.591 7.748 1.557 1.00 89.57 C +HETATM 19 OD1 HYP A 3 -8.577 8.111 3.713 1.00 89.71 O +ATOM 20 N GLY A 4 -5.388 6.192 0.100 1.00 92.30 N +ATOM 21 CA GLY A 4 -4.744 5.374 -0.893 1.00 92.28 C +ATOM 22 C GLY A 4 -5.061 3.908 -0.674 1.00 93.11 C +ATOM 23 O GLY A 4 -5.667 3.524 0.328 1.00 93.24 O +ATOM 24 N PRO A 5 -4.655 3.071 -1.623 1.00 92.10 N +ATOM 25 CA PRO A 5 -4.913 1.641 -1.505 1.00 92.76 C +ATOM 26 C PRO A 5 -4.049 1.003 -0.432 1.00 92.44 C +ATOM 27 O PRO A 5 -3.055 1.571 -0.002 1.00 91.09 O +ATOM 28 CB PRO A 5 -4.575 1.110 -2.895 1.00 90.81 C +ATOM 29 CG PRO A 5 -3.513 2.045 -3.369 1.00 88.14 C +ATOM 30 CD PRO A 5 -3.921 3.391 -2.846 1.00 90.86 C +HETATM 31 N HYP A 6 -4.471 -0.179 -0.024 1.00 92.96 N +HETATM 32 CA HYP A 6 -3.674 -0.937 0.915 1.00 93.76 C +HETATM 33 C HYP A 6 -2.284 -1.198 0.376 1.00 93.49 C +HETATM 34 O HYP A 6 -2.099 -1.340 -0.870 1.00 93.50 O +HETATM 35 CB HYP A 6 -4.482 -2.240 1.059 1.00 91.11 C +HETATM 36 CG HYP A 6 -5.917 -1.847 0.747 1.00 89.78 C +HETATM 37 CD HYP A 6 -5.728 -0.816 -0.370 1.00 92.41 C +HETATM 38 OD1 HYP A 6 -6.495 -1.218 1.862 1.00 90.24 O +ATOM 39 N GLY A 7 -1.314 -1.204 1.245 1.00 93.20 N +ATOM 40 CA GLY A 7 0.037 -1.473 0.850 1.00 92.86 C +ATOM 41 C GLY A 7 0.197 -2.907 0.389 1.00 93.62 C +ATOM 42 O GLY A 7 -0.711 -3.723 0.511 1.00 93.61 O +ATOM 43 N PRO A 8 1.364 -3.221 -0.141 1.00 94.30 N +ATOM 44 CA PRO A 8 1.602 -4.576 -0.617 1.00 94.36 C +ATOM 45 C PRO A 8 1.742 -5.554 0.536 1.00 94.33 C +ATOM 46 O PRO A 8 2.008 -5.176 1.670 1.00 92.73 O +ATOM 47 CB PRO A 8 2.898 -4.447 -1.418 1.00 92.28 C +ATOM 48 CG PRO A 8 3.598 -3.308 -0.774 1.00 90.83 C +ATOM 49 CD PRO A 8 2.520 -2.347 -0.370 1.00 92.96 C +HETATM 50 N HYP A 9 1.565 -6.834 0.226 1.00 91.05 N +HETATM 51 CA HYP A 9 1.728 -7.844 1.188 1.00 91.89 C +HETATM 52 C HYP A 9 3.126 -7.904 1.725 1.00 92.65 C +HETATM 53 O HYP A 9 4.094 -7.627 0.985 1.00 92.67 O +HETATM 54 CB HYP A 9 1.410 -9.164 0.450 1.00 89.98 C +HETATM 55 CG HYP A 9 0.566 -8.751 -0.708 1.00 88.44 C +HETATM 56 CD HYP A 9 1.071 -7.381 -1.066 1.00 91.26 C +HETATM 57 OD1 HYP A 9 -0.778 -8.656 -0.293 1.00 88.23 O +ATOM 58 N GLY A 10 3.320 -8.154 2.986 1.00 93.26 N +ATOM 59 CA GLY A 10 4.633 -8.373 3.529 1.00 91.59 C +ATOM 60 C GLY A 10 5.116 -9.744 3.091 1.00 92.11 C +ATOM 61 O GLY A 10 4.529 -10.374 2.204 1.00 91.15 O +ATOM 62 N GLU A 11 6.172 -10.232 3.720 1.00 91.69 N +ATOM 63 CA GLU A 11 6.634 -11.578 3.412 1.00 93.38 C +ATOM 64 C GLU A 11 5.636 -12.553 4.023 1.00 93.41 C +ATOM 65 O GLU A 11 5.764 -12.944 5.179 1.00 89.99 O +ATOM 66 CB GLU A 11 8.041 -11.801 3.960 1.00 90.90 C +ATOM 67 CG GLU A 11 9.081 -10.918 3.289 1.00 84.72 C +ATOM 68 CD GLU A 11 10.509 -11.298 3.631 1.00 78.63 C +ATOM 69 OE1 GLU A 11 10.724 -12.387 4.189 1.00 74.05 O +ATOM 70 OE2 GLU A 11 11.411 -10.497 3.345 1.00 74.78 O +ATOM 71 N GLN A 12 4.635 -12.901 3.258 1.00 93.39 N +ATOM 72 CA GLN A 12 3.514 -13.743 3.679 1.00 94.49 C +ATOM 73 C GLN A 12 2.503 -12.991 4.536 1.00 94.47 C +ATOM 74 O GLN A 12 1.518 -13.573 4.981 1.00 90.45 O +ATOM 75 CB GLN A 12 3.989 -14.995 4.444 1.00 92.06 C +ATOM 76 CG GLN A 12 5.069 -15.787 3.738 1.00 87.53 C +ATOM 77 CD GLN A 12 4.610 -16.319 2.393 1.00 81.36 C +ATOM 78 OE1 GLN A 12 4.884 -15.714 1.359 1.00 75.49 O +ATOM 79 NE2 GLN A 12 3.907 -17.420 2.414 1.00 74.52 N +ATOM 80 N GLY A 13 2.735 -11.713 4.759 1.00 95.39 N +ATOM 81 CA GLY A 13 1.853 -10.924 5.592 1.00 94.96 C +ATOM 82 C GLY A 13 0.706 -10.300 4.828 1.00 95.34 C +ATOM 83 O GLY A 13 0.651 -10.355 3.600 1.00 94.89 O +ATOM 84 N PRO A 14 -0.226 -9.701 5.556 1.00 94.32 N +ATOM 85 CA PRO A 14 -1.372 -9.057 4.936 1.00 94.25 C +ATOM 86 C PRO A 14 -0.974 -7.746 4.271 1.00 94.22 C +ATOM 87 O PRO A 14 0.117 -7.230 4.483 1.00 92.97 O +ATOM 88 CB PRO A 14 -2.320 -8.819 6.104 1.00 92.58 C +ATOM 89 CG PRO A 14 -1.409 -8.625 7.264 1.00 91.40 C +ATOM 90 CD PRO A 14 -0.275 -9.583 7.027 1.00 92.90 C +HETATM 91 N HYP A 15 -1.911 -7.237 3.474 1.00 94.75 N +HETATM 92 CA HYP A 15 -1.700 -5.941 2.891 1.00 93.55 C +HETATM 93 C HYP A 15 -1.483 -4.893 3.934 1.00 95.17 C +HETATM 94 O HYP A 15 -2.048 -5.005 5.051 1.00 94.67 O +HETATM 95 CB HYP A 15 -3.012 -5.723 2.107 1.00 91.92 C +HETATM 96 CG HYP A 15 -3.518 -7.120 1.802 1.00 89.70 C +HETATM 97 CD HYP A 15 -3.143 -7.886 3.049 1.00 92.69 C +HETATM 98 OD1 HYP A 15 -2.839 -7.627 0.696 1.00 90.32 O +ATOM 99 N GLY A 16 -0.673 -3.913 3.633 1.00 94.92 N +ATOM 100 CA GLY A 16 -0.447 -2.831 4.548 1.00 94.75 C +ATOM 101 C GLY A 16 -1.681 -1.963 4.671 1.00 95.24 C +ATOM 102 O GLY A 16 -2.676 -2.168 3.968 1.00 94.89 O +ATOM 103 N PRO A 17 -1.628 -0.989 5.572 1.00 94.73 N +ATOM 104 CA PRO A 17 -2.772 -0.106 5.764 1.00 94.98 C +ATOM 105 C PRO A 17 -2.986 0.811 4.571 1.00 95.23 C +ATOM 106 O PRO A 17 -2.106 0.982 3.737 1.00 94.04 O +ATOM 107 CB PRO A 17 -2.401 0.679 7.024 1.00 93.33 C +ATOM 108 CG PRO A 17 -0.923 0.643 7.055 1.00 91.65 C +ATOM 109 CD PRO A 17 -0.522 -0.672 6.466 1.00 93.56 C +HETATM 110 N HYP A 18 -4.189 1.381 4.468 1.00 92.78 N +HETATM 111 CA HYP A 18 -4.460 2.323 3.462 1.00 92.29 C +HETATM 112 C HYP A 18 -3.517 3.485 3.467 1.00 94.09 C +HETATM 113 O HYP A 18 -3.045 3.896 4.572 1.00 92.87 O +HETATM 114 CB HYP A 18 -5.904 2.785 3.781 1.00 90.15 C +HETATM 115 CG HYP A 18 -6.530 1.591 4.486 1.00 89.48 C +HETATM 116 CD HYP A 18 -5.354 1.067 5.311 1.00 92.56 C +HETATM 117 OD1 HYP A 18 -6.918 0.624 3.538 1.00 90.43 O +ATOM 118 N GLY A 19 -3.185 3.969 2.322 1.00 92.23 N +ATOM 119 CA GLY A 19 -2.313 5.100 2.218 1.00 92.29 C +ATOM 120 C GLY A 19 -2.973 6.339 2.781 1.00 92.90 C +ATOM 121 O GLY A 19 -4.155 6.335 3.121 1.00 93.05 O +ATOM 122 N PRO A 20 -2.209 7.417 2.887 1.00 90.12 N +ATOM 123 CA PRO A 20 -2.749 8.654 3.431 1.00 90.59 C +ATOM 124 C PRO A 20 -3.737 9.295 2.476 1.00 90.40 C +ATOM 125 O PRO A 20 -3.762 9.001 1.290 1.00 90.69 O +ATOM 126 CB PRO A 20 -1.508 9.518 3.619 1.00 88.08 C +ATOM 127 CG PRO A 20 -0.581 9.036 2.561 1.00 84.58 C +ATOM 128 CD PRO A 20 -0.807 7.551 2.505 1.00 87.26 C +HETATM 129 N HYP A 21 -4.558 10.172 3.017 1.00 91.75 N +HETATM 130 CA HYP A 21 -5.452 10.914 2.200 1.00 90.09 C +HETATM 131 C HYP A 21 -4.779 11.742 1.144 1.00 92.58 C +HETATM 132 O HYP A 21 -3.651 12.222 1.387 1.00 93.86 O +HETATM 133 CB HYP A 21 -6.189 11.816 3.209 1.00 89.76 C +HETATM 134 CG HYP A 21 -6.082 11.087 4.530 1.00 87.23 C +HETATM 135 CD HYP A 21 -4.712 10.445 4.455 1.00 91.17 C +HETATM 136 OD1 HYP A 21 -7.062 10.046 4.567 1.00 89.39 O +ATOM 137 N GLY A 22 -5.331 11.831 0.006 1.00 90.84 N +ATOM 138 CA GLY A 22 -4.790 12.679 -1.013 1.00 89.16 C +ATOM 139 C GLY A 22 -4.986 14.134 -0.625 1.00 89.10 C +ATOM 140 O GLY A 22 -5.519 14.444 0.439 1.00 88.85 O +ATOM 141 N PRO A 23 -4.581 15.062 -1.488 1.00 93.44 N +ATOM 142 CA PRO A 23 -4.760 16.478 -1.198 1.00 93.27 C +ATOM 143 C PRO A 23 -6.228 16.811 -1.017 1.00 92.10 C +ATOM 144 O PRO A 23 -7.096 16.120 -1.535 1.00 88.86 O +ATOM 145 CB PRO A 23 -4.188 17.173 -2.432 1.00 90.38 C +ATOM 146 CG PRO A 23 -3.268 16.172 -3.019 1.00 88.13 C +ATOM 147 CD PRO A 23 -3.900 14.846 -2.751 1.00 91.06 C +HETATM 148 N HYP A 24 -6.559 17.842 -0.339 1.00 92.95 N +HETATM 149 CA HYP A 24 -7.964 18.121 -0.177 1.00 84.74 C +HETATM 150 C HYP A 24 -8.787 17.653 -1.273 1.00 90.17 C +HETATM 151 O HYP A 24 -8.784 18.318 -2.315 1.00 82.64 O +HETATM 152 CB HYP A 24 -8.050 19.546 0.273 1.00 86.81 C +HETATM 153 CG HYP A 24 -6.653 19.898 0.785 1.00 86.00 C +HETATM 154 CD HYP A 24 -5.707 18.951 0.033 1.00 89.80 C +HETATM 155 OD1 HYP A 24 -6.552 19.592 2.178 1.00 85.51 O +HETATM 156 OXT HYP A 24 -9.498 16.640 -1.036 1.00 82.42 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_106.txt b/protein_pdb_106.txt new file mode 100644 index 0000000000000000000000000000000000000000..5ae3be8c6feea5987c9a90cd8e51d80f2d7ca2c3 --- /dev/null +++ b/protein_pdb_106.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 18.144 -29.882 5.805 1.00 81.30 N +ATOM 2 CA GLY A 1 18.651 -28.525 6.008 1.00 83.92 C +ATOM 3 C GLY A 1 17.585 -27.615 6.557 1.00 84.54 C +ATOM 4 O GLY A 1 16.412 -27.986 6.625 1.00 82.41 O +ATOM 5 N PRO A 2 17.935 -26.383 6.950 1.00 86.62 N +ATOM 6 CA PRO A 2 16.956 -25.443 7.504 1.00 89.68 C +ATOM 7 C PRO A 2 15.994 -24.935 6.443 1.00 89.70 C +ATOM 8 O PRO A 2 16.293 -24.946 5.252 1.00 88.38 O +ATOM 9 CB PRO A 2 17.833 -24.315 8.062 1.00 87.39 C +ATOM 10 CG PRO A 2 19.034 -24.348 7.185 1.00 82.15 C +ATOM 11 CD PRO A 2 19.284 -25.818 6.933 1.00 82.72 C +HETATM 12 N HYP A 3 14.911 -24.573 6.846 1.00 86.67 N +HETATM 13 CA HYP A 3 13.855 -23.903 5.968 1.00 84.76 C +HETATM 14 C HYP A 3 14.342 -22.634 5.298 1.00 86.58 C +HETATM 15 O HYP A 3 15.170 -21.907 5.862 1.00 85.99 O +HETATM 16 CB HYP A 3 12.769 -23.605 6.993 1.00 85.17 C +HETATM 17 CG HYP A 3 12.981 -24.571 8.162 1.00 82.91 C +HETATM 18 CD HYP A 3 14.525 -24.680 8.243 1.00 85.63 C +HETATM 19 OD1 HYP A 3 12.473 -25.835 7.864 1.00 85.76 O +ATOM 20 N GLY A 4 13.831 -22.343 4.121 1.00 87.22 N +ATOM 21 CA GLY A 4 14.176 -21.134 3.413 1.00 85.67 C +ATOM 22 C GLY A 4 13.519 -19.928 4.066 1.00 85.44 C +ATOM 23 O GLY A 4 12.651 -20.069 4.929 1.00 85.85 O +ATOM 24 N PRO A 5 13.906 -18.728 3.656 1.00 87.64 N +ATOM 25 CA PRO A 5 13.332 -17.513 4.232 1.00 88.59 C +ATOM 26 C PRO A 5 11.902 -17.284 3.763 1.00 88.30 C +ATOM 27 O PRO A 5 11.488 -17.785 2.720 1.00 86.92 O +ATOM 28 CB PRO A 5 14.271 -16.411 3.745 1.00 86.45 C +ATOM 29 CG PRO A 5 14.738 -16.937 2.428 1.00 84.00 C +ATOM 30 CD PRO A 5 14.928 -18.425 2.662 1.00 85.28 C +HETATM 31 N HYP A 6 11.149 -16.564 4.561 1.00 87.88 N +HETATM 32 CA HYP A 6 9.792 -16.127 4.122 1.00 89.26 C +HETATM 33 C HYP A 6 9.802 -15.310 2.877 1.00 86.75 C +HETATM 34 O HYP A 6 10.783 -14.596 2.583 1.00 84.44 O +HETATM 35 CB HYP A 6 9.337 -15.283 5.353 1.00 84.66 C +HETATM 36 CG HYP A 6 10.086 -15.817 6.535 1.00 83.98 C +HETATM 37 CD HYP A 6 11.437 -16.129 5.921 1.00 86.54 C +HETATM 38 OD1 HYP A 6 9.507 -16.998 7.041 1.00 83.85 O +ATOM 39 N GLY A 7 8.731 -15.344 2.073 1.00 89.62 N +ATOM 40 CA GLY A 7 8.611 -14.589 0.849 1.00 87.86 C +ATOM 41 C GLY A 7 8.488 -13.105 1.133 1.00 87.83 C +ATOM 42 O GLY A 7 8.305 -12.683 2.278 1.00 87.50 O +ATOM 43 N PRO A 8 8.576 -12.285 0.094 1.00 85.14 N +ATOM 44 CA PRO A 8 8.481 -10.840 0.271 1.00 86.07 C +ATOM 45 C PRO A 8 7.058 -10.409 0.620 1.00 85.23 C +ATOM 46 O PRO A 8 6.096 -11.125 0.349 1.00 84.05 O +ATOM 47 CB PRO A 8 8.928 -10.282 -1.077 1.00 84.16 C +ATOM 48 CG PRO A 8 8.518 -11.356 -2.030 1.00 83.32 C +ATOM 49 CD PRO A 8 8.818 -12.642 -1.292 1.00 84.42 C +HETATM 50 N HYP A 9 6.918 -9.234 1.212 1.00 80.97 N +HETATM 51 CA HYP A 9 5.604 -8.668 1.482 1.00 85.69 C +HETATM 52 C HYP A 9 4.841 -8.423 0.252 1.00 82.95 C +HETATM 53 O HYP A 9 5.396 -8.107 -0.788 1.00 79.85 O +HETATM 54 CB HYP A 9 5.987 -7.329 2.172 1.00 81.26 C +HETATM 55 CG HYP A 9 7.350 -7.532 2.735 1.00 80.42 C +HETATM 56 CD HYP A 9 7.977 -8.424 1.732 1.00 83.50 C +HETATM 57 OD1 HYP A 9 7.295 -8.184 3.996 1.00 81.81 O +ATOM 58 N GLY A 10 3.499 -8.461 0.336 1.00 84.44 N +ATOM 59 CA GLY A 10 2.622 -8.213 -0.782 1.00 81.68 C +ATOM 60 C GLY A 10 2.733 -6.776 -1.271 1.00 81.50 C +ATOM 61 O GLY A 10 3.367 -5.936 -0.631 1.00 80.40 O +ATOM 62 N PRO A 11 2.090 -6.469 -2.404 1.00 81.89 N +ATOM 63 CA PRO A 11 2.157 -5.114 -2.949 1.00 82.24 C +ATOM 64 C PRO A 11 1.384 -4.110 -2.105 1.00 80.69 C +ATOM 65 O PRO A 11 0.452 -4.455 -1.382 1.00 79.04 O +ATOM 66 CB PRO A 11 1.550 -5.265 -4.347 1.00 80.51 C +ATOM 67 CG PRO A 11 0.585 -6.385 -4.170 1.00 80.92 C +ATOM 68 CD PRO A 11 1.299 -7.351 -3.247 1.00 81.05 C +ATOM 69 N CYS A 12 1.799 -2.853 -2.207 1.00 81.04 N +ATOM 70 CA CYS A 12 1.133 -1.775 -1.494 1.00 82.05 C +ATOM 71 C CYS A 12 -0.278 -1.608 -2.038 1.00 82.74 C +ATOM 72 O CYS A 12 -0.524 -1.858 -3.221 1.00 79.02 O +ATOM 73 CB CYS A 12 1.920 -0.472 -1.658 1.00 76.95 C +ATOM 74 SG CYS A 12 1.317 0.883 -0.651 1.00 68.75 S +ATOM 75 N GLY A 13 -1.197 -1.208 -1.168 1.00 81.49 N +ATOM 76 CA GLY A 13 -2.566 -0.997 -1.590 1.00 80.61 C +ATOM 77 C GLY A 13 -2.711 0.194 -2.517 1.00 81.13 C +ATOM 78 O GLY A 13 -1.753 0.936 -2.746 1.00 81.32 O +ATOM 79 N PRO A 14 -3.918 0.412 -3.067 1.00 81.62 N +ATOM 80 CA PRO A 14 -4.150 1.529 -3.979 1.00 83.95 C +ATOM 81 C PRO A 14 -4.131 2.861 -3.254 1.00 83.64 C +ATOM 82 O PRO A 14 -4.265 2.923 -2.037 1.00 83.87 O +ATOM 83 CB PRO A 14 -5.530 1.226 -4.561 1.00 82.89 C +ATOM 84 CG PRO A 14 -6.208 0.476 -3.470 1.00 80.06 C +ATOM 85 CD PRO A 14 -5.117 -0.404 -2.896 1.00 79.31 C +HETATM 86 N HYP A 15 -3.977 3.972 -4.009 1.00 81.97 N +HETATM 87 CA HYP A 15 -4.014 5.285 -3.467 1.00 77.48 C +HETATM 88 C HYP A 15 -5.346 5.638 -2.774 1.00 83.27 C +HETATM 89 O HYP A 15 -6.384 5.056 -3.135 1.00 76.75 O +HETATM 90 CB HYP A 15 -3.843 6.150 -4.720 1.00 80.67 C +HETATM 91 CG HYP A 15 -3.074 5.268 -5.645 1.00 78.23 C +HETATM 92 CD HYP A 15 -3.683 3.936 -5.370 1.00 81.37 C +HETATM 93 OD1 HYP A 15 -1.719 5.260 -5.346 1.00 80.79 O +ATOM 94 N GLY A 16 -5.294 6.437 -1.775 1.00 84.21 N +ATOM 95 CA GLY A 16 -6.484 6.836 -1.075 1.00 82.76 C +ATOM 96 C GLY A 16 -7.373 7.695 -1.955 1.00 83.82 C +ATOM 97 O GLY A 16 -6.974 8.104 -3.049 1.00 84.26 O +ATOM 98 N PRO A 17 -8.600 7.975 -1.498 1.00 81.40 N +ATOM 99 CA PRO A 17 -9.525 8.781 -2.286 1.00 84.18 C +ATOM 100 C PRO A 17 -9.106 10.238 -2.343 1.00 84.03 C +ATOM 101 O PRO A 17 -8.396 10.730 -1.472 1.00 84.00 O +ATOM 102 CB PRO A 17 -10.860 8.599 -1.553 1.00 83.41 C +ATOM 103 CG PRO A 17 -10.436 8.392 -0.138 1.00 80.45 C +ATOM 104 CD PRO A 17 -9.197 7.533 -0.243 1.00 80.12 C +HETATM 105 N HYP A 18 -9.542 10.971 -3.346 1.00 82.26 N +HETATM 106 CA HYP A 18 -9.322 12.389 -3.460 1.00 84.89 C +HETATM 107 C HYP A 18 -10.008 13.179 -2.336 1.00 81.46 C +HETATM 108 O HYP A 18 -11.001 12.735 -1.753 1.00 84.27 O +HETATM 109 CB HYP A 18 -10.001 12.708 -4.789 1.00 82.17 C +HETATM 110 CG HYP A 18 -9.910 11.450 -5.584 1.00 80.91 C +HETATM 111 CD HYP A 18 -10.126 10.416 -4.538 1.00 83.08 C +HETATM 112 OD1 HYP A 18 -8.647 11.289 -6.161 1.00 84.19 O +ATOM 113 N GLY A 19 -9.452 14.315 -2.004 1.00 87.21 N +ATOM 114 CA GLY A 19 -10.015 15.169 -0.993 1.00 86.47 C +ATOM 115 C GLY A 19 -11.341 15.746 -1.453 1.00 86.83 C +ATOM 116 O GLY A 19 -11.747 15.562 -2.603 1.00 86.08 O +ATOM 117 N PRO A 20 -12.036 16.472 -0.565 1.00 81.21 N +ATOM 118 CA PRO A 20 -13.329 17.043 -0.908 1.00 81.88 C +ATOM 119 C PRO A 20 -13.204 18.168 -1.924 1.00 81.03 C +ATOM 120 O PRO A 20 -12.152 18.794 -2.054 1.00 79.64 O +ATOM 121 CB PRO A 20 -13.863 17.536 0.438 1.00 78.92 C +ATOM 122 CG PRO A 20 -12.625 17.843 1.206 1.00 76.48 C +ATOM 123 CD PRO A 20 -11.657 16.746 0.817 1.00 76.65 C +HETATM 124 N HYP A 21 -14.246 18.464 -2.636 1.00 88.08 N +HETATM 125 CA HYP A 21 -14.310 19.550 -3.618 1.00 86.45 C +HETATM 126 C HYP A 21 -14.187 20.940 -2.998 1.00 87.49 C +HETATM 127 O HYP A 21 -14.575 21.136 -1.845 1.00 85.56 O +HETATM 128 CB HYP A 21 -15.764 19.415 -4.166 1.00 85.18 C +HETATM 129 CG HYP A 21 -16.159 17.989 -3.933 1.00 83.54 C +HETATM 130 CD HYP A 21 -15.461 17.662 -2.640 1.00 86.18 C +HETATM 131 OD1 HYP A 21 -15.634 17.162 -4.953 1.00 84.04 O +ATOM 132 N GLY A 22 -13.595 21.862 -3.690 1.00 84.84 N +ATOM 133 CA GLY A 22 -13.480 23.221 -3.239 1.00 84.06 C +ATOM 134 C GLY A 22 -14.840 23.908 -3.297 1.00 83.84 C +ATOM 135 O GLY A 22 -15.818 23.322 -3.761 1.00 82.75 O +ATOM 136 N PRO A 23 -14.914 25.178 -2.897 1.00 82.54 N +ATOM 137 CA PRO A 23 -16.188 25.893 -2.922 1.00 83.86 C +ATOM 138 C PRO A 23 -16.611 26.214 -4.337 1.00 83.04 C +ATOM 139 O PRO A 23 -15.786 26.271 -5.252 1.00 79.82 O +ATOM 140 CB PRO A 23 -15.890 27.152 -2.102 1.00 79.89 C +ATOM 141 CG PRO A 23 -14.440 27.377 -2.339 1.00 77.15 C +ATOM 142 CD PRO A 23 -13.837 25.983 -2.341 1.00 77.87 C +HETATM 143 N HYP A 24 -17.899 26.506 -4.577 1.00 84.36 N +HETATM 144 CA HYP A 24 -18.317 26.820 -5.926 1.00 83.93 C +HETATM 145 C HYP A 24 -17.619 27.952 -6.519 1.00 80.96 C +HETATM 146 O HYP A 24 -17.676 29.051 -5.959 1.00 80.25 O +HETATM 147 CB HYP A 24 -19.851 27.103 -5.821 1.00 84.32 C +HETATM 148 CG HYP A 24 -20.267 26.450 -4.555 1.00 82.69 C +HETATM 149 CD HYP A 24 -19.003 26.524 -3.654 1.00 83.67 C +HETATM 150 OD1 HYP A 24 -20.541 25.092 -4.798 1.00 81.34 O +HETATM 151 OXT HYP A 24 -16.978 27.694 -7.554 1.00 77.87 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_107.txt b/protein_pdb_107.txt new file mode 100644 index 0000000000000000000000000000000000000000..220f06297e6551612fd68570b1504cc2be08a6fe --- /dev/null +++ b/protein_pdb_107.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -5.392 6.188 0.145 1.00 74.04 N +ATOM 2 CA GLY A 1 -4.056 5.950 -0.373 1.00 77.80 C +ATOM 3 C GLY A 1 -3.996 4.682 -1.184 1.00 79.90 C +ATOM 4 O GLY A 1 -4.995 3.970 -1.304 1.00 75.64 O +ATOM 5 N PRO A 2 -2.823 4.367 -1.723 1.00 78.21 N +ATOM 6 CA PRO A 2 -2.674 3.163 -2.528 1.00 81.97 C +ATOM 7 C PRO A 2 -2.681 1.918 -1.648 1.00 82.91 C +ATOM 8 O PRO A 2 -2.508 1.995 -0.437 1.00 80.57 O +ATOM 9 CB PRO A 2 -1.317 3.363 -3.203 1.00 78.20 C +ATOM 10 CG PRO A 2 -0.555 4.174 -2.218 1.00 74.12 C +ATOM 11 CD PRO A 2 -1.575 5.121 -1.635 1.00 73.27 C +HETATM 12 N HYP A 3 -2.889 0.772 -2.241 1.00 82.27 N +HETATM 13 CA HYP A 3 -2.825 -0.457 -1.545 1.00 83.85 C +HETATM 14 C HYP A 3 -1.451 -0.648 -0.871 1.00 82.97 C +HETATM 15 O HYP A 3 -0.418 -0.151 -1.368 1.00 83.53 O +HETATM 16 CB HYP A 3 -3.050 -1.479 -2.656 1.00 81.61 C +HETATM 17 CG HYP A 3 -3.946 -0.757 -3.593 1.00 79.60 C +HETATM 18 CD HYP A 3 -3.324 0.610 -3.598 1.00 81.40 C +HETATM 19 OD1 HYP A 3 -5.253 -0.672 -3.114 1.00 81.43 O +ATOM 20 N GLY A 4 -1.487 -1.242 0.275 1.00 88.94 N +ATOM 21 CA GLY A 4 -0.274 -1.467 1.008 1.00 87.55 C +ATOM 22 C GLY A 4 0.610 -2.475 0.299 1.00 86.32 C +ATOM 23 O GLY A 4 0.235 -3.037 -0.734 1.00 85.12 O +ATOM 24 N PRO A 5 1.781 -2.698 0.850 1.00 86.21 N +ATOM 25 CA PRO A 5 2.697 -3.649 0.239 1.00 84.87 C +ATOM 26 C PRO A 5 2.184 -5.069 0.388 1.00 84.50 C +ATOM 27 O PRO A 5 1.346 -5.357 1.237 1.00 82.91 O +ATOM 28 CB PRO A 5 3.994 -3.435 1.003 1.00 81.79 C +ATOM 29 CG PRO A 5 3.527 -2.996 2.347 1.00 81.34 C +ATOM 30 CD PRO A 5 2.336 -2.122 2.069 1.00 83.52 C +HETATM 31 N HYP A 6 2.732 -5.968 -0.424 1.00 85.37 N +HETATM 32 CA HYP A 6 2.370 -7.334 -0.287 1.00 87.15 C +HETATM 33 C HYP A 6 2.740 -7.901 1.060 1.00 85.29 C +HETATM 34 O HYP A 6 3.762 -7.505 1.660 1.00 85.15 O +HETATM 35 CB HYP A 6 3.129 -8.010 -1.417 1.00 84.53 C +HETATM 36 CG HYP A 6 3.236 -6.932 -2.450 1.00 82.54 C +HETATM 37 CD HYP A 6 3.470 -5.700 -1.635 1.00 85.96 C +HETATM 38 OD1 HYP A 6 2.052 -6.779 -3.181 1.00 80.14 O +ATOM 39 N GLY A 7 1.858 -8.688 1.622 1.00 85.61 N +ATOM 40 CA GLY A 7 2.098 -9.283 2.906 1.00 82.86 C +ATOM 41 C GLY A 7 3.083 -10.428 2.807 1.00 83.10 C +ATOM 42 O GLY A 7 3.659 -10.681 1.744 1.00 82.02 O +ATOM 43 N PRO A 8 3.256 -11.148 3.880 1.00 84.20 N +ATOM 44 CA PRO A 8 4.121 -12.324 3.864 1.00 84.86 C +ATOM 45 C PRO A 8 3.554 -13.351 2.895 1.00 84.81 C +ATOM 46 O PRO A 8 2.376 -13.301 2.543 1.00 83.35 O +ATOM 47 CB PRO A 8 4.063 -12.847 5.294 1.00 82.22 C +ATOM 48 CG PRO A 8 3.540 -11.725 6.094 1.00 81.51 C +ATOM 49 CD PRO A 8 2.661 -10.928 5.187 1.00 83.27 C +HETATM 50 N HYP A 9 4.395 -14.306 2.481 1.00 80.38 N +HETATM 51 CA HYP A 9 3.900 -15.345 1.670 1.00 84.49 C +HETATM 52 C HYP A 9 2.674 -15.957 2.125 1.00 80.29 C +HETATM 53 O HYP A 9 2.567 -16.276 3.345 1.00 81.30 O +HETATM 54 CB HYP A 9 5.105 -16.294 1.518 1.00 81.04 C +HETATM 55 CG HYP A 9 6.297 -15.345 1.652 1.00 79.11 C +HETATM 56 CD HYP A 9 5.804 -14.360 2.681 1.00 80.47 C +HETATM 57 OD1 HYP A 9 6.565 -14.641 0.468 1.00 76.46 O +ATOM 58 N GLY A 10 1.575 -15.977 1.308 1.00 82.50 N +ATOM 59 CA GLY A 10 0.295 -16.556 1.631 1.00 79.30 C +ATOM 60 C GLY A 10 -0.674 -15.630 2.332 1.00 78.96 C +ATOM 61 O GLY A 10 -1.810 -16.011 2.585 1.00 76.32 O +ATOM 62 N LEU A 11 -0.266 -14.406 2.658 1.00 79.44 N +ATOM 63 CA LEU A 11 -1.115 -13.442 3.342 1.00 80.38 C +ATOM 64 C LEU A 11 -1.120 -12.130 2.569 1.00 79.24 C +ATOM 65 O LEU A 11 -0.061 -11.655 2.162 1.00 77.22 O +ATOM 66 CB LEU A 11 -0.620 -13.171 4.759 1.00 76.21 C +ATOM 67 CG LEU A 11 -0.593 -14.351 5.723 1.00 70.31 C +ATOM 68 CD1 LEU A 11 0.044 -13.931 7.031 1.00 68.04 C +ATOM 69 CD2 LEU A 11 -1.997 -14.883 5.956 1.00 66.89 C +ATOM 70 N PRO A 12 -2.288 -11.510 2.366 1.00 74.84 N +ATOM 71 CA PRO A 12 -2.315 -10.221 1.688 1.00 74.60 C +ATOM 72 C PRO A 12 -1.790 -9.126 2.606 1.00 74.65 C +ATOM 73 O PRO A 12 -1.881 -9.230 3.831 1.00 69.94 O +ATOM 74 CB PRO A 12 -3.794 -10.014 1.361 1.00 70.62 C +ATOM 75 CG PRO A 12 -4.495 -10.757 2.443 1.00 68.28 C +ATOM 76 CD PRO A 12 -3.641 -11.975 2.692 1.00 66.21 C +ATOM 77 N GLY A 13 -1.243 -8.096 2.000 1.00 85.66 N +ATOM 78 CA GLY A 13 -0.766 -6.975 2.786 1.00 82.57 C +ATOM 79 C GLY A 13 -1.929 -6.135 3.262 1.00 83.08 C +ATOM 80 O GLY A 13 -3.059 -6.287 2.787 1.00 82.69 O +ATOM 81 N PRO A 14 -1.684 -5.237 4.209 1.00 79.63 N +ATOM 82 CA PRO A 14 -2.748 -4.368 4.695 1.00 80.07 C +ATOM 83 C PRO A 14 -3.010 -3.257 3.693 1.00 79.92 C +ATOM 84 O PRO A 14 -2.197 -2.988 2.818 1.00 77.97 O +ATOM 85 CB PRO A 14 -2.168 -3.813 5.996 1.00 77.02 C +ATOM 86 CG PRO A 14 -0.707 -3.756 5.717 1.00 75.97 C +ATOM 87 CD PRO A 14 -0.423 -5.000 4.914 1.00 75.67 C +HETATM 88 N HYP A 15 -4.128 -2.619 3.832 1.00 81.38 N +HETATM 89 CA HYP A 15 -4.421 -1.450 3.037 1.00 80.65 C +HETATM 90 C HYP A 15 -3.386 -0.381 3.284 1.00 82.55 C +HETATM 91 O HYP A 15 -2.799 -0.318 4.390 1.00 81.92 O +HETATM 92 CB HYP A 15 -5.804 -1.100 3.561 1.00 77.83 C +HETATM 93 CG HYP A 15 -6.381 -2.442 3.949 1.00 77.85 C +HETATM 94 CD HYP A 15 -5.222 -3.128 4.590 1.00 82.69 C +HETATM 95 OD1 HYP A 15 -6.799 -3.178 2.826 1.00 79.52 O +ATOM 96 N GLY A 16 -3.127 0.405 2.295 1.00 83.54 N +ATOM 97 CA GLY A 16 -2.174 1.469 2.441 1.00 81.79 C +ATOM 98 C GLY A 16 -2.711 2.562 3.339 1.00 82.73 C +ATOM 99 O GLY A 16 -3.868 2.519 3.772 1.00 82.73 O +ATOM 100 N PRO A 17 -1.880 3.565 3.620 1.00 77.62 N +ATOM 101 CA PRO A 17 -2.327 4.666 4.465 1.00 77.76 C +ATOM 102 C PRO A 17 -3.362 5.514 3.744 1.00 77.42 C +ATOM 103 O PRO A 17 -3.493 5.452 2.526 1.00 76.72 O +ATOM 104 CB PRO A 17 -1.042 5.441 4.732 1.00 76.01 C +ATOM 105 CG PRO A 17 -0.185 5.138 3.563 1.00 75.10 C +ATOM 106 CD PRO A 17 -0.492 3.709 3.203 1.00 74.96 C +HETATM 107 N HYP A 18 -4.089 6.306 4.480 1.00 77.85 N +HETATM 108 CA HYP A 18 -5.037 7.210 3.881 1.00 79.47 C +HETATM 109 C HYP A 18 -4.395 8.139 2.886 1.00 78.35 C +HETATM 110 O HYP A 18 -3.203 8.497 3.039 1.00 81.71 O +HETATM 111 CB HYP A 18 -5.593 7.885 5.095 1.00 74.95 C +HETATM 112 CG HYP A 18 -5.500 6.862 6.192 1.00 75.52 C +HETATM 113 CD HYP A 18 -4.180 6.207 5.918 1.00 82.42 C +HETATM 114 OD1 HYP A 18 -6.518 5.889 6.118 1.00 78.70 O +ATOM 115 N GLY A 19 -5.121 8.514 1.876 1.00 77.42 N +ATOM 116 CA GLY A 19 -4.634 9.438 0.892 1.00 74.56 C +ATOM 117 C GLY A 19 -4.419 10.812 1.496 1.00 74.52 C +ATOM 118 O GLY A 19 -4.727 11.046 2.668 1.00 75.39 O +ATOM 119 N PRO A 20 -3.903 11.733 0.692 1.00 69.41 N +ATOM 120 CA PRO A 20 -3.658 13.072 1.203 1.00 70.78 C +ATOM 121 C PRO A 20 -4.951 13.799 1.511 1.00 70.21 C +ATOM 122 O PRO A 20 -6.010 13.458 0.990 1.00 71.21 O +ATOM 123 CB PRO A 20 -2.881 13.741 0.063 1.00 68.21 C +ATOM 124 CG PRO A 20 -3.328 13.004 -1.150 1.00 65.46 C +ATOM 125 CD PRO A 20 -3.516 11.581 -0.699 1.00 65.35 C +HETATM 126 N HYP A 21 -4.888 14.822 2.331 1.00 74.96 N +HETATM 127 CA HYP A 21 -6.026 15.605 2.644 1.00 79.79 C +HETATM 128 C HYP A 21 -6.610 16.314 1.446 1.00 74.99 C +HETATM 129 O HYP A 21 -5.838 16.677 0.511 1.00 80.13 O +HETATM 130 CB HYP A 21 -5.424 16.649 3.613 1.00 75.62 C +HETATM 131 CG HYP A 21 -4.208 15.984 4.226 1.00 72.72 C +HETATM 132 CD HYP A 21 -3.676 15.176 3.077 1.00 78.48 C +HETATM 133 OD1 HYP A 21 -4.601 15.099 5.271 1.00 79.47 O +ATOM 134 N GLY A 22 -7.895 16.437 1.377 1.00 72.94 N +ATOM 135 CA GLY A 22 -8.539 17.158 0.313 1.00 70.48 C +ATOM 136 C GLY A 22 -8.249 18.645 0.437 1.00 68.70 C +ATOM 137 O GLY A 22 -7.660 19.095 1.424 1.00 69.98 O +ATOM 138 N PRO A 23 -8.666 19.431 -0.544 1.00 73.13 N +ATOM 139 CA PRO A 23 -8.431 20.867 -0.491 1.00 75.58 C +ATOM 140 C PRO A 23 -9.311 21.517 0.553 1.00 74.84 C +ATOM 141 O PRO A 23 -10.380 21.011 0.883 1.00 72.71 O +ATOM 142 CB PRO A 23 -8.771 21.336 -1.901 1.00 70.69 C +ATOM 143 CG PRO A 23 -9.778 20.346 -2.362 1.00 65.50 C +ATOM 144 CD PRO A 23 -9.347 19.034 -1.770 1.00 67.19 C +HETATM 145 N HYP A 24 -8.902 22.686 1.044 1.00 76.79 N +HETATM 146 CA HYP A 24 -9.795 23.360 1.993 1.00 79.91 C +HETATM 147 C HYP A 24 -10.992 23.831 1.189 1.00 74.86 C +HETATM 148 O HYP A 24 -10.909 24.753 0.377 1.00 80.69 O +HETATM 149 CB HYP A 24 -8.937 24.616 2.402 1.00 77.10 C +HETATM 150 CG HYP A 24 -7.494 24.288 2.071 1.00 74.45 C +HETATM 151 CD HYP A 24 -7.578 23.320 0.862 1.00 76.74 C +HETATM 152 OD1 HYP A 24 -6.925 23.577 3.167 1.00 77.04 O +HETATM 153 OXT HYP A 24 -11.951 23.075 1.331 1.00 73.99 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_108.txt b/protein_pdb_108.txt new file mode 100644 index 0000000000000000000000000000000000000000..4c52d92bb00307d6f9fdbc4349624a8e202e5750 --- /dev/null +++ b/protein_pdb_108.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 18.010 -29.971 -5.553 1.00 92.80 N +ATOM 2 CA GLY A 1 18.533 -28.704 -5.056 1.00 94.53 C +ATOM 3 C GLY A 1 17.515 -27.978 -4.205 1.00 94.82 C +ATOM 4 O GLY A 1 16.349 -28.376 -4.160 1.00 93.56 O +ATOM 5 N PRO A 2 17.900 -26.897 -3.528 1.00 94.02 N +ATOM 6 CA PRO A 2 16.972 -26.150 -2.680 1.00 94.98 C +ATOM 7 C PRO A 2 15.937 -25.392 -3.503 1.00 94.84 C +ATOM 8 O PRO A 2 16.166 -25.080 -4.664 1.00 94.77 O +ATOM 9 CB PRO A 2 17.880 -25.189 -1.908 1.00 92.96 C +ATOM 10 CG PRO A 2 19.044 -24.995 -2.811 1.00 89.19 C +ATOM 11 CD PRO A 2 19.246 -26.314 -3.505 1.00 91.35 C +HETATM 12 N HYP A 3 14.878 -25.148 -2.931 1.00 93.06 N +HETATM 13 CA HYP A 3 13.776 -24.299 -3.534 1.00 91.55 C +HETATM 14 C HYP A 3 14.245 -22.889 -3.866 1.00 92.38 C +HETATM 15 O HYP A 3 15.125 -22.342 -3.182 1.00 93.93 O +HETATM 16 CB HYP A 3 12.747 -24.292 -2.412 1.00 92.59 C +HETATM 17 CG HYP A 3 13.028 -25.512 -1.533 1.00 90.16 C +HETATM 18 CD HYP A 3 14.564 -25.609 -1.576 1.00 93.01 C +HETATM 19 OD1 HYP A 3 12.478 -26.672 -2.098 1.00 92.76 O +ATOM 20 N GLY A 4 13.670 -22.303 -4.896 1.00 94.32 N +ATOM 21 CA GLY A 4 13.970 -20.938 -5.246 1.00 93.29 C +ATOM 22 C GLY A 4 13.363 -19.968 -4.244 1.00 93.31 C +ATOM 23 O GLY A 4 12.554 -20.350 -3.404 1.00 94.09 O +ATOM 24 N PRO A 5 13.740 -18.694 -4.337 1.00 94.42 N +ATOM 25 CA PRO A 5 13.212 -17.696 -3.405 1.00 94.88 C +ATOM 26 C PRO A 5 11.755 -17.366 -3.694 1.00 94.53 C +ATOM 27 O PRO A 5 11.278 -17.556 -4.804 1.00 94.63 O +ATOM 28 CB PRO A 5 14.117 -16.481 -3.636 1.00 93.23 C +ATOM 29 CG PRO A 5 14.525 -16.618 -5.063 1.00 90.97 C +ATOM 30 CD PRO A 5 14.675 -18.106 -5.291 1.00 93.23 C +HETATM 31 N HYP A 6 11.086 -16.896 -2.681 1.00 90.78 N +HETATM 32 CA HYP A 6 9.704 -16.365 -2.868 1.00 94.75 C +HETATM 33 C HYP A 6 9.662 -15.218 -3.837 1.00 89.48 C +HETATM 34 O HYP A 6 10.634 -14.450 -3.963 1.00 93.25 O +HETATM 35 CB HYP A 6 9.344 -15.886 -1.432 1.00 88.25 C +HETATM 36 CG HYP A 6 10.220 -16.663 -0.470 1.00 89.02 C +HETATM 37 CD HYP A 6 11.500 -16.826 -1.276 1.00 90.06 C +HETATM 38 OD1 HYP A 6 9.660 -17.940 -0.204 1.00 91.45 O +ATOM 39 N GLY A 7 8.534 -15.047 -4.534 1.00 95.01 N +ATOM 40 CA GLY A 7 8.344 -13.933 -5.434 1.00 94.56 C +ATOM 41 C GLY A 7 8.225 -12.627 -4.668 1.00 94.83 C +ATOM 42 O GLY A 7 8.110 -12.609 -3.441 1.00 95.01 O +ATOM 43 N PRO A 8 8.243 -11.501 -5.396 1.00 94.01 N +ATOM 44 CA PRO A 8 8.144 -10.196 -4.745 1.00 94.45 C +ATOM 45 C PRO A 8 6.754 -9.948 -4.177 1.00 94.31 C +ATOM 46 O PRO A 8 5.778 -10.549 -4.619 1.00 93.70 O +ATOM 47 CB PRO A 8 8.472 -9.206 -5.863 1.00 92.75 C +ATOM 48 CG PRO A 8 8.045 -9.925 -7.097 1.00 91.59 C +ATOM 49 CD PRO A 8 8.357 -11.380 -6.843 1.00 93.36 C +HETATM 50 N HYP A 9 6.657 -9.060 -3.208 1.00 90.95 N +HETATM 51 CA HYP A 9 5.380 -8.635 -2.644 1.00 93.27 C +HETATM 52 C HYP A 9 4.529 -7.970 -3.663 1.00 93.17 C +HETATM 53 O HYP A 9 5.018 -7.292 -4.584 1.00 92.28 O +HETATM 54 CB HYP A 9 5.841 -7.637 -1.534 1.00 89.55 C +HETATM 55 CG HYP A 9 7.263 -7.999 -1.201 1.00 87.86 C +HETATM 56 CD HYP A 9 7.795 -8.478 -2.503 1.00 90.18 C +HETATM 57 OD1 HYP A 9 7.292 -9.064 -0.259 1.00 89.38 O +ATOM 58 N GLY A 10 3.187 -8.099 -3.556 1.00 92.91 N +ATOM 59 CA GLY A 10 2.253 -7.437 -4.440 1.00 91.33 C +ATOM 60 C GLY A 10 2.253 -5.928 -4.230 1.00 91.67 C +ATOM 61 O GLY A 10 2.837 -5.403 -3.276 1.00 90.71 O +ATOM 62 N ASP A 11 1.571 -5.217 -5.149 1.00 93.75 N +ATOM 63 CA ASP A 11 1.496 -3.761 -5.073 1.00 94.64 C +ATOM 64 C ASP A 11 0.737 -3.314 -3.832 1.00 94.93 C +ATOM 65 O ASP A 11 -0.192 -3.971 -3.372 1.00 93.19 O +ATOM 66 CB ASP A 11 0.797 -3.195 -6.306 1.00 92.51 C +ATOM 67 CG ASP A 11 1.617 -3.323 -7.572 1.00 87.71 C +ATOM 68 OD1 ASP A 11 2.841 -3.524 -7.481 1.00 85.34 O +ATOM 69 OD2 ASP A 11 1.019 -3.215 -8.663 1.00 82.89 O +ATOM 70 N ARG A 12 1.132 -2.159 -3.292 1.00 93.64 N +ATOM 71 CA ARG A 12 0.419 -1.544 -2.184 1.00 93.43 C +ATOM 72 C ARG A 12 -0.979 -1.161 -2.650 1.00 93.54 C +ATOM 73 O ARG A 12 -1.174 -0.794 -3.812 1.00 90.97 O +ATOM 74 CB ARG A 12 1.185 -0.306 -1.691 1.00 89.17 C +ATOM 75 CG ARG A 12 0.600 0.323 -0.449 1.00 83.56 C +ATOM 76 CD ARG A 12 1.295 1.624 -0.108 1.00 80.89 C +ATOM 77 NE ARG A 12 2.716 1.442 0.161 1.00 75.93 N +ATOM 78 CZ ARG A 12 3.564 2.415 0.425 1.00 73.08 C +ATOM 79 NH1 ARG A 12 3.154 3.680 0.476 1.00 71.87 N +ATOM 80 NH2 ARG A 12 4.844 2.149 0.641 1.00 66.19 N +ATOM 81 N GLY A 13 -1.937 -1.257 -1.732 1.00 93.31 N +ATOM 82 CA GLY A 13 -3.292 -0.855 -2.058 1.00 91.72 C +ATOM 83 C GLY A 13 -3.405 0.636 -2.320 1.00 92.33 C +ATOM 84 O GLY A 13 -2.444 1.387 -2.118 1.00 92.48 O +ATOM 85 N PRO A 14 -4.580 1.093 -2.772 1.00 93.04 N +ATOM 86 CA PRO A 14 -4.772 2.509 -3.077 1.00 92.78 C +ATOM 87 C PRO A 14 -4.737 3.373 -1.822 1.00 92.60 C +ATOM 88 O PRO A 14 -4.950 2.890 -0.715 1.00 92.53 O +ATOM 89 CB PRO A 14 -6.142 2.561 -3.744 1.00 91.03 C +ATOM 90 CG PRO A 14 -6.856 1.369 -3.201 1.00 90.05 C +ATOM 91 CD PRO A 14 -5.796 0.316 -3.036 1.00 91.54 C +HETATM 92 N HYP A 15 -4.492 4.688 -1.991 1.00 86.98 N +HETATM 93 CA HYP A 15 -4.507 5.647 -0.930 1.00 84.57 C +HETATM 94 C HYP A 15 -5.877 5.711 -0.222 1.00 86.68 C +HETATM 95 O HYP A 15 -6.903 5.373 -0.859 1.00 85.93 O +HETATM 96 CB HYP A 15 -4.197 6.959 -1.648 1.00 83.85 C +HETATM 97 CG HYP A 15 -3.419 6.538 -2.859 1.00 82.37 C +HETATM 98 CD HYP A 15 -4.070 5.245 -3.225 1.00 86.66 C +HETATM 99 OD1 HYP A 15 -2.074 6.324 -2.517 1.00 87.33 O +ATOM 100 N GLY A 16 -5.895 6.033 1.020 1.00 93.91 N +ATOM 101 CA GLY A 16 -7.134 6.185 1.738 1.00 92.87 C +ATOM 102 C GLY A 16 -7.913 7.396 1.249 1.00 93.10 C +ATOM 103 O GLY A 16 -7.415 8.186 0.445 1.00 93.96 O +ATOM 104 N PRO A 17 -9.156 7.549 1.732 1.00 88.51 N +ATOM 105 CA PRO A 17 -9.987 8.672 1.305 1.00 89.08 C +ATOM 106 C PRO A 17 -9.488 9.991 1.864 1.00 88.91 C +ATOM 107 O PRO A 17 -8.780 10.030 2.866 1.00 90.85 O +ATOM 108 CB PRO A 17 -11.365 8.318 1.854 1.00 87.39 C +ATOM 109 CG PRO A 17 -11.069 7.494 3.056 1.00 85.30 C +ATOM 110 CD PRO A 17 -9.846 6.693 2.693 1.00 86.57 C +HETATM 111 N HYP A 18 -9.844 11.102 1.254 1.00 89.67 N +HETATM 112 CA HYP A 18 -9.578 12.425 1.731 1.00 91.45 C +HETATM 113 C HYP A 18 -10.204 12.680 3.103 1.00 87.08 C +HETATM 114 O HYP A 18 -11.216 12.050 3.465 1.00 93.07 O +HETATM 115 CB HYP A 18 -10.219 13.319 0.674 1.00 89.00 C +HETATM 116 CG HYP A 18 -10.234 12.493 -0.589 1.00 87.36 C +HETATM 117 CD HYP A 18 -10.462 11.111 -0.056 1.00 90.22 C +HETATM 118 OD1 HYP A 18 -8.995 12.571 -1.245 1.00 90.93 O +ATOM 119 N GLY A 19 -9.612 13.543 3.870 1.00 93.02 N +ATOM 120 CA GLY A 19 -10.154 13.921 5.148 1.00 92.05 C +ATOM 121 C GLY A 19 -11.448 14.697 4.985 1.00 92.32 C +ATOM 122 O GLY A 19 -11.852 15.040 3.871 1.00 92.69 O +ATOM 123 N PRO A 20 -12.117 15.008 6.105 1.00 89.40 N +ATOM 124 CA PRO A 20 -13.383 15.730 6.051 1.00 89.79 C +ATOM 125 C PRO A 20 -13.183 17.179 5.612 1.00 89.32 C +ATOM 126 O PRO A 20 -12.095 17.730 5.734 1.00 89.87 O +ATOM 127 CB PRO A 20 -13.899 15.643 7.494 1.00 87.08 C +ATOM 128 CG PRO A 20 -12.665 15.502 8.305 1.00 84.47 C +ATOM 129 CD PRO A 20 -11.727 14.673 7.471 1.00 86.18 C +HETATM 130 N HYP A 21 -14.232 17.814 5.134 1.00 91.05 N +HETATM 131 CA HYP A 21 -14.229 19.195 4.711 1.00 90.08 C +HETATM 132 C HYP A 21 -13.960 20.172 5.855 1.00 87.89 C +HETATM 133 O HYP A 21 -14.315 19.876 7.007 1.00 93.70 O +HETATM 134 CB HYP A 21 -15.698 19.426 4.230 1.00 90.02 C +HETATM 135 CG HYP A 21 -16.190 18.077 3.830 1.00 85.37 C +HETATM 136 CD HYP A 21 -15.503 17.162 4.817 1.00 89.83 C +HETATM 137 OD1 HYP A 21 -15.718 17.759 2.519 1.00 91.24 O +ATOM 138 N GLY A 22 -13.274 21.249 5.582 1.00 92.82 N +ATOM 139 CA GLY A 22 -13.049 22.283 6.554 1.00 92.35 C +ATOM 140 C GLY A 22 -14.348 23.012 6.875 1.00 92.70 C +ATOM 141 O GLY A 22 -15.394 22.725 6.294 1.00 92.03 O +ATOM 142 N PRO A 23 -14.294 23.999 7.776 1.00 92.34 N +ATOM 143 CA PRO A 23 -15.504 24.734 8.144 1.00 93.25 C +ATOM 144 C PRO A 23 -15.999 25.595 6.998 1.00 92.44 C +ATOM 145 O PRO A 23 -15.230 25.985 6.119 1.00 90.27 O +ATOM 146 CB PRO A 23 -15.057 25.581 9.336 1.00 90.25 C +ATOM 147 CG PRO A 23 -13.598 25.756 9.119 1.00 87.45 C +ATOM 148 CD PRO A 23 -13.120 24.469 8.498 1.00 90.58 C +HETATM 149 N HYP A 24 -17.280 26.004 6.992 1.00 91.95 N +HETATM 150 CA HYP A 24 -17.783 26.790 5.873 1.00 87.94 C +HETATM 151 C HYP A 24 -17.006 28.003 5.608 1.00 86.18 C +HETATM 152 O HYP A 24 -16.943 28.887 6.464 1.00 85.70 O +HETATM 153 CB HYP A 24 -19.258 27.113 6.250 1.00 89.70 C +HETATM 154 CG HYP A 24 -19.629 26.127 7.283 1.00 84.61 C +HETATM 155 CD HYP A 24 -18.307 25.808 8.001 1.00 90.07 C +HETATM 156 OD1 HYP A 24 -20.110 24.965 6.679 1.00 84.88 O +HETATM 157 OXT HYP A 24 -16.395 27.993 4.518 1.00 86.33 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_109.txt b/protein_pdb_109.txt new file mode 100644 index 0000000000000000000000000000000000000000..56c6b8089e30c19d9eec96d5bdbcfb5c274188af --- /dev/null +++ b/protein_pdb_109.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -5.214 6.300 -0.461 1.00 73.64 N +ATOM 2 CA GLY A 1 -3.871 5.903 -0.817 1.00 76.93 C +ATOM 3 C GLY A 1 -3.861 4.545 -1.485 1.00 79.53 C +ATOM 4 O GLY A 1 -4.901 3.907 -1.641 1.00 75.57 O +ATOM 5 N PRO A 2 -2.680 4.010 -1.870 1.00 73.94 N +ATOM 6 CA PRO A 2 -2.564 2.716 -2.532 1.00 78.58 C +ATOM 7 C PRO A 2 -2.767 1.575 -1.543 1.00 79.73 C +ATOM 8 O PRO A 2 -2.715 1.765 -0.336 1.00 77.68 O +ATOM 9 CB PRO A 2 -1.134 2.732 -3.071 1.00 75.07 C +ATOM 10 CG PRO A 2 -0.408 3.586 -2.099 1.00 70.52 C +ATOM 11 CD PRO A 2 -1.389 4.653 -1.693 1.00 69.13 C +HETATM 12 N HYP A 3 -3.022 0.372 -2.044 1.00 75.07 N +HETATM 13 CA HYP A 3 -3.099 -0.786 -1.212 1.00 79.46 C +HETATM 14 C HYP A 3 -1.837 -0.972 -0.384 1.00 80.08 C +HETATM 15 O HYP A 3 -0.733 -0.561 -0.813 1.00 78.10 O +HETATM 16 CB HYP A 3 -3.307 -1.879 -2.252 1.00 74.43 C +HETATM 17 CG HYP A 3 -4.091 -1.201 -3.324 1.00 72.90 C +HETATM 18 CD HYP A 3 -3.373 0.125 -3.417 1.00 75.58 C +HETATM 19 OD1 HYP A 3 -5.423 -0.975 -2.926 1.00 77.57 O +ATOM 20 N GLY A 4 -2.009 -1.425 0.797 1.00 84.30 N +ATOM 21 CA GLY A 4 -0.891 -1.620 1.683 1.00 83.15 C +ATOM 22 C GLY A 4 0.030 -2.709 1.168 1.00 81.71 C +ATOM 23 O GLY A 4 -0.251 -3.362 0.161 1.00 79.80 O +ATOM 24 N PRO A 5 1.133 -2.893 1.863 1.00 82.94 N +ATOM 25 CA PRO A 5 2.068 -3.927 1.443 1.00 81.96 C +ATOM 26 C PRO A 5 1.479 -5.308 1.685 1.00 82.24 C +ATOM 27 O PRO A 5 0.562 -5.476 2.474 1.00 80.36 O +ATOM 28 CB PRO A 5 3.285 -3.675 2.327 1.00 79.59 C +ATOM 29 CG PRO A 5 2.707 -3.067 3.559 1.00 79.30 C +ATOM 30 CD PRO A 5 1.567 -2.213 3.074 1.00 80.21 C +HETATM 31 N HYP A 6 2.051 -6.297 1.029 1.00 82.98 N +HETATM 32 CA HYP A 6 1.638 -7.624 1.271 1.00 84.08 C +HETATM 33 C HYP A 6 1.868 -8.056 2.700 1.00 85.07 C +HETATM 34 O HYP A 6 2.820 -7.600 3.356 1.00 82.34 O +HETATM 35 CB HYP A 6 2.498 -8.422 0.290 1.00 82.87 C +HETATM 36 CG HYP A 6 2.679 -7.478 -0.855 1.00 80.62 C +HETATM 37 CD HYP A 6 2.873 -6.171 -0.160 1.00 83.11 C +HETATM 38 OD1 HYP A 6 1.538 -7.416 -1.661 1.00 78.14 O +ATOM 39 N GLY A 7 0.924 -8.766 3.233 1.00 82.32 N +ATOM 40 CA GLY A 7 1.045 -9.251 4.580 1.00 79.65 C +ATOM 41 C GLY A 7 2.025 -10.407 4.644 1.00 80.20 C +ATOM 42 O GLY A 7 2.728 -10.701 3.674 1.00 78.85 O +ATOM 43 N PRO A 8 2.066 -11.074 5.768 1.00 81.64 N +ATOM 44 CA PRO A 8 2.934 -12.242 5.884 1.00 81.85 C +ATOM 45 C PRO A 8 2.460 -13.331 4.927 1.00 82.52 C +ATOM 46 O PRO A 8 1.333 -13.311 4.442 1.00 81.15 O +ATOM 47 CB PRO A 8 2.805 -12.655 7.343 1.00 79.12 C +ATOM 48 CG PRO A 8 1.578 -12.000 7.831 1.00 78.16 C +ATOM 49 CD PRO A 8 1.328 -10.791 6.986 1.00 78.59 C +HETATM 50 N HYP A 9 3.337 -14.304 4.665 1.00 76.37 N +HETATM 51 CA HYP A 9 2.985 -15.369 3.824 1.00 83.57 C +HETATM 52 C HYP A 9 1.677 -15.947 4.089 1.00 79.28 C +HETATM 53 O HYP A 9 1.361 -16.183 5.277 1.00 77.06 O +HETATM 54 CB HYP A 9 4.167 -16.321 3.878 1.00 80.64 C +HETATM 55 CG HYP A 9 5.328 -15.374 4.121 1.00 76.66 C +HETATM 56 CD HYP A 9 4.718 -14.349 5.040 1.00 77.73 C +HETATM 57 OD1 HYP A 9 5.742 -14.729 2.953 1.00 75.81 O +ATOM 58 N GLY A 10 0.770 -16.006 3.081 1.00 80.18 N +ATOM 59 CA GLY A 10 -0.551 -16.554 3.189 1.00 77.05 C +ATOM 60 C GLY A 10 -1.605 -15.599 3.718 1.00 76.34 C +ATOM 61 O GLY A 10 -2.766 -15.972 3.825 1.00 73.77 O +ATOM 62 N VAL A 11 -1.235 -14.370 4.065 1.00 72.49 N +ATOM 63 CA VAL A 11 -2.156 -13.387 4.618 1.00 73.17 C +ATOM 64 C VAL A 11 -2.006 -12.084 3.836 1.00 70.57 C +ATOM 65 O VAL A 11 -0.945 -11.470 3.880 1.00 68.86 O +ATOM 66 CB VAL A 11 -1.880 -13.124 6.112 1.00 69.82 C +ATOM 67 CG1 VAL A 11 -2.876 -12.115 6.655 1.00 64.40 C +ATOM 68 CG2 VAL A 11 -1.947 -14.418 6.912 1.00 67.20 C +ATOM 69 N PRO A 12 -3.042 -11.636 3.109 1.00 68.76 N +ATOM 70 CA PRO A 12 -2.940 -10.363 2.397 1.00 68.62 C +ATOM 71 C PRO A 12 -2.735 -9.213 3.361 1.00 68.62 C +ATOM 72 O PRO A 12 -3.230 -9.235 4.488 1.00 65.30 O +ATOM 73 CB PRO A 12 -4.293 -10.232 1.684 1.00 65.25 C +ATOM 74 CG PRO A 12 -4.801 -11.620 1.590 1.00 62.33 C +ATOM 75 CD PRO A 12 -4.333 -12.291 2.851 1.00 60.82 C +ATOM 76 N GLY A 13 -2.021 -8.217 2.902 1.00 76.37 N +ATOM 77 CA GLY A 13 -1.837 -7.035 3.717 1.00 73.97 C +ATOM 78 C GLY A 13 -3.104 -6.211 3.747 1.00 74.29 C +ATOM 79 O GLY A 13 -4.003 -6.397 2.922 1.00 73.52 O +ATOM 80 N PRO A 14 -3.210 -5.294 4.693 1.00 68.91 N +ATOM 81 CA PRO A 14 -4.379 -4.425 4.763 1.00 70.68 C +ATOM 82 C PRO A 14 -4.266 -3.327 3.717 1.00 70.41 C +ATOM 83 O PRO A 14 -3.203 -3.087 3.159 1.00 68.36 O +ATOM 84 CB PRO A 14 -4.298 -3.849 6.172 1.00 68.33 C +ATOM 85 CG PRO A 14 -2.829 -3.785 6.433 1.00 66.07 C +ATOM 86 CD PRO A 14 -2.263 -5.019 5.782 1.00 63.80 C +HETATM 87 N HYP A 15 -5.365 -2.663 3.461 1.00 72.86 N +HETATM 88 CA HYP A 15 -5.340 -1.490 2.626 1.00 67.58 C +HETATM 89 C HYP A 15 -4.402 -0.459 3.187 1.00 74.78 C +HETATM 90 O HYP A 15 -4.224 -0.404 4.417 1.00 74.38 O +HETATM 91 CB HYP A 15 -6.800 -1.074 2.640 1.00 67.44 C +HETATM 92 CG HYP A 15 -7.521 -2.409 2.769 1.00 70.48 C +HETATM 93 CD HYP A 15 -6.683 -3.125 3.777 1.00 76.05 C +HETATM 94 OD1 HYP A 15 -7.510 -3.119 1.548 1.00 73.57 O +ATOM 95 N GLY A 16 -3.764 0.269 2.322 1.00 76.01 N +ATOM 96 CA GLY A 16 -2.840 1.281 2.762 1.00 73.15 C +ATOM 97 C GLY A 16 -3.561 2.427 3.436 1.00 73.43 C +ATOM 98 O GLY A 16 -4.795 2.488 3.448 1.00 73.37 O +ATOM 99 N PRO A 17 -2.795 3.362 3.995 1.00 65.10 N +ATOM 100 CA PRO A 17 -3.411 4.519 4.630 1.00 67.08 C +ATOM 101 C PRO A 17 -4.041 5.421 3.583 1.00 66.32 C +ATOM 102 O PRO A 17 -3.745 5.322 2.399 1.00 66.80 O +ATOM 103 CB PRO A 17 -2.234 5.200 5.327 1.00 66.33 C +ATOM 104 CG PRO A 17 -1.051 4.792 4.526 1.00 64.96 C +ATOM 105 CD PRO A 17 -1.336 3.393 4.062 1.00 62.99 C +HETATM 106 N HYP A 18 -4.909 6.300 4.015 1.00 70.39 N +HETATM 107 CA HYP A 18 -5.467 7.280 3.119 1.00 69.18 C +HETATM 108 C HYP A 18 -4.420 8.065 2.411 1.00 69.85 C +HETATM 109 O HYP A 18 -3.327 8.291 2.967 1.00 71.34 O +HETATM 110 CB HYP A 18 -6.321 8.075 4.064 1.00 67.33 C +HETATM 111 CG HYP A 18 -6.775 7.071 5.099 1.00 69.44 C +HETATM 112 CD HYP A 18 -5.525 6.270 5.321 1.00 73.96 C +HETATM 113 OD1 HYP A 18 -7.792 6.219 4.618 1.00 72.73 O +ATOM 114 N GLY A 19 -4.683 8.435 1.190 1.00 71.10 N +ATOM 115 CA GLY A 19 -3.765 9.229 0.419 1.00 68.49 C +ATOM 116 C GLY A 19 -3.590 10.603 1.024 1.00 68.41 C +ATOM 117 O GLY A 19 -4.272 10.971 1.979 1.00 69.11 O +ATOM 118 N PRO A 20 -2.678 11.381 0.453 1.00 59.51 N +ATOM 119 CA PRO A 20 -2.445 12.716 0.973 1.00 62.95 C +ATOM 120 C PRO A 20 -3.636 13.619 0.701 1.00 62.41 C +ATOM 121 O PRO A 20 -4.446 13.351 -0.177 1.00 63.87 O +ATOM 122 CB PRO A 20 -1.203 13.175 0.211 1.00 61.47 C +ATOM 123 CG PRO A 20 -1.264 12.407 -1.066 1.00 57.96 C +ATOM 124 CD PRO A 20 -1.843 11.063 -0.691 1.00 56.72 C +HETATM 125 N HYP A 21 -3.735 14.694 1.428 1.00 69.86 N +HETATM 126 CA HYP A 21 -4.759 15.651 1.210 1.00 70.58 C +HETATM 127 C HYP A 21 -4.688 16.271 -0.168 1.00 68.06 C +HETATM 128 O HYP A 21 -3.562 16.413 -0.722 1.00 73.67 O +HETATM 129 CB HYP A 21 -4.377 16.728 2.253 1.00 69.21 C +HETATM 130 CG HYP A 21 -3.639 15.986 3.352 1.00 69.54 C +HETATM 131 CD HYP A 21 -2.851 14.983 2.562 1.00 74.09 C +HETATM 132 OD1 HYP A 21 -4.555 15.293 4.194 1.00 74.09 O +ATOM 133 N GLY A 22 -5.795 16.519 -0.765 1.00 71.31 N +ATOM 134 CA GLY A 22 -5.818 17.178 -2.043 1.00 69.56 C +ATOM 135 C GLY A 22 -5.316 18.602 -1.920 1.00 67.84 C +ATOM 136 O GLY A 22 -5.151 19.114 -0.807 1.00 68.21 O +ATOM 137 N PRO A 23 -5.090 19.266 -3.033 1.00 71.71 N +ATOM 138 CA PRO A 23 -4.623 20.647 -2.981 1.00 75.06 C +ATOM 139 C PRO A 23 -5.742 21.557 -2.525 1.00 74.23 C +ATOM 140 O PRO A 23 -6.923 21.247 -2.683 1.00 71.75 O +ATOM 141 CB PRO A 23 -4.199 20.933 -4.409 1.00 70.52 C +ATOM 142 CG PRO A 23 -5.033 20.013 -5.228 1.00 65.45 C +ATOM 143 CD PRO A 23 -5.215 18.773 -4.396 1.00 66.31 C +HETATM 144 N HYP A 24 -5.388 22.752 -1.991 1.00 76.27 N +HETATM 145 CA HYP A 24 -6.468 23.638 -1.638 1.00 78.62 C +HETATM 146 C HYP A 24 -6.977 24.207 -2.981 1.00 70.99 C +HETATM 147 O HYP A 24 -6.657 25.269 -3.447 1.00 76.98 O +HETATM 148 CB HYP A 24 -5.675 24.829 -0.964 1.00 75.73 C +HETATM 149 CG HYP A 24 -4.377 24.257 -0.478 1.00 73.04 C +HETATM 150 CD HYP A 24 -4.060 23.146 -1.506 1.00 76.42 C +HETATM 151 OD1 HYP A 24 -4.575 23.671 0.796 1.00 76.10 O +HETATM 152 OXT HYP A 24 -7.665 23.389 -3.560 1.00 70.17 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_11.txt b/protein_pdb_11.txt new file mode 100644 index 0000000000000000000000000000000000000000..89ca0d6d14c3b637d013cbb9ac7f2ac2ec90f75f --- /dev/null +++ b/protein_pdb_11.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 33.316 -6.616 9.763 1.00 82.24 N +ATOM 2 CA GLY A 1 33.022 -6.649 8.338 1.00 86.00 C +ATOM 3 C GLY A 1 32.099 -5.523 7.931 1.00 86.80 C +ATOM 4 O GLY A 1 31.556 -4.819 8.789 1.00 83.84 O +ATOM 5 N PRO A 2 31.905 -5.324 6.655 1.00 83.91 N +ATOM 6 CA PRO A 2 31.021 -4.261 6.181 1.00 88.07 C +ATOM 7 C PRO A 2 29.563 -4.573 6.484 1.00 87.91 C +ATOM 8 O PRO A 2 29.195 -5.718 6.738 1.00 86.11 O +ATOM 9 CB PRO A 2 31.278 -4.222 4.676 1.00 85.42 C +ATOM 10 CG PRO A 2 31.683 -5.627 4.351 1.00 81.51 C +ATOM 11 CD PRO A 2 32.469 -6.102 5.548 1.00 82.15 C +HETATM 12 N HYP A 3 28.812 -3.588 6.495 1.00 85.97 N +HETATM 13 CA HYP A 3 27.339 -3.736 6.627 1.00 86.75 C +HETATM 14 C HYP A 3 26.778 -4.634 5.581 1.00 86.17 C +HETATM 15 O HYP A 3 27.290 -4.697 4.451 1.00 87.28 O +HETATM 16 CB HYP A 3 26.839 -2.330 6.570 1.00 83.07 C +HETATM 17 CG HYP A 3 28.009 -1.485 7.053 1.00 83.33 C +HETATM 18 CD HYP A 3 29.196 -2.224 6.418 1.00 85.75 C +HETATM 19 OD1 HYP A 3 28.143 -1.536 8.440 1.00 87.79 O +ATOM 20 N GLY A 4 25.717 -5.381 5.927 1.00 90.34 N +ATOM 21 CA GLY A 4 25.066 -6.257 4.984 1.00 89.45 C +ATOM 22 C GLY A 4 24.347 -5.471 3.900 1.00 88.82 C +ATOM 23 O GLY A 4 24.223 -4.244 3.977 1.00 87.33 O +ATOM 24 N PRO A 5 23.862 -6.166 2.883 1.00 90.31 N +ATOM 25 CA PRO A 5 23.155 -5.494 1.803 1.00 89.67 C +ATOM 26 C PRO A 5 21.807 -4.953 2.265 1.00 89.50 C +ATOM 27 O PRO A 5 21.256 -5.402 3.262 1.00 88.18 O +ATOM 28 CB PRO A 5 22.981 -6.591 0.752 1.00 87.89 C +ATOM 29 CG PRO A 5 22.955 -7.850 1.564 1.00 86.58 C +ATOM 30 CD PRO A 5 23.919 -7.609 2.696 1.00 87.63 C +HETATM 31 N HYP A 6 21.333 -3.990 1.552 1.00 86.47 N +HETATM 32 CA HYP A 6 19.972 -3.482 1.821 1.00 89.55 C +HETATM 33 C HYP A 6 18.949 -4.587 1.727 1.00 88.29 C +HETATM 34 O HYP A 6 19.117 -5.545 0.946 1.00 87.99 O +HETATM 35 CB HYP A 6 19.795 -2.454 0.693 1.00 86.96 C +HETATM 36 CG HYP A 6 21.198 -1.993 0.383 1.00 83.97 C +HETATM 37 CD HYP A 6 22.006 -3.285 0.523 1.00 86.14 C +HETATM 38 OD1 HYP A 6 21.642 -1.059 1.337 1.00 86.12 O +ATOM 39 N GLY A 7 17.892 -4.465 2.542 1.00 91.51 N +ATOM 40 CA GLY A 7 16.812 -5.416 2.506 1.00 90.26 C +ATOM 41 C GLY A 7 16.013 -5.305 1.223 1.00 90.30 C +ATOM 42 O GLY A 7 16.199 -4.378 0.433 1.00 89.30 O +ATOM 43 N PRO A 8 15.102 -6.236 1.005 1.00 87.90 N +ATOM 44 CA PRO A 8 14.279 -6.204 -0.197 1.00 87.66 C +ATOM 45 C PRO A 8 13.271 -5.066 -0.144 1.00 87.81 C +ATOM 46 O PRO A 8 12.963 -4.543 0.919 1.00 85.55 O +ATOM 47 CB PRO A 8 13.586 -7.565 -0.193 1.00 85.36 C +ATOM 48 CG PRO A 8 13.514 -7.916 1.252 1.00 85.20 C +ATOM 49 CD PRO A 8 14.780 -7.373 1.860 1.00 85.92 C +HETATM 50 N HYP A 9 12.754 -4.668 -1.287 1.00 87.88 N +HETATM 51 CA HYP A 9 11.678 -3.691 -1.331 1.00 89.79 C +HETATM 52 C HYP A 9 10.516 -4.137 -0.516 1.00 88.89 C +HETATM 53 O HYP A 9 10.251 -5.354 -0.389 1.00 88.72 O +HETATM 54 CB HYP A 9 11.364 -3.692 -2.872 1.00 88.46 C +HETATM 55 CG HYP A 9 12.666 -4.042 -3.510 1.00 86.66 C +HETATM 56 CD HYP A 9 13.239 -5.082 -2.561 1.00 88.79 C +HETATM 57 OD1 HYP A 9 13.547 -2.916 -3.532 1.00 86.19 O +ATOM 58 N GLY A 10 9.768 -3.156 0.022 1.00 90.80 N +ATOM 59 CA GLY A 10 8.574 -3.450 0.779 1.00 89.35 C +ATOM 60 C GLY A 10 7.500 -4.079 -0.087 1.00 89.74 C +ATOM 61 O GLY A 10 7.611 -4.110 -1.315 1.00 88.39 O +ATOM 62 N PRO A 11 6.444 -4.585 0.541 1.00 89.24 N +ATOM 63 CA PRO A 11 5.364 -5.219 -0.210 1.00 88.98 C +ATOM 64 C PRO A 11 4.563 -4.193 -1.005 1.00 89.24 C +ATOM 65 O PRO A 11 4.555 -3.011 -0.682 1.00 86.99 O +ATOM 66 CB PRO A 11 4.518 -5.870 0.871 1.00 87.15 C +ATOM 67 CG PRO A 11 4.747 -5.015 2.066 1.00 87.18 C +ATOM 68 CD PRO A 11 6.193 -4.592 1.985 1.00 87.55 C +HETATM 69 N HYP A 12 3.885 -4.630 -2.014 1.00 90.07 N +HETATM 70 CA HYP A 12 2.963 -3.768 -2.759 1.00 88.48 C +HETATM 71 C HYP A 12 1.887 -3.216 -1.857 1.00 91.35 C +HETATM 72 O HYP A 12 1.519 -3.842 -0.842 1.00 89.53 O +HETATM 73 CB HYP A 12 2.345 -4.822 -3.755 1.00 87.56 C +HETATM 74 CG HYP A 12 3.420 -5.830 -3.937 1.00 84.93 C +HETATM 75 CD HYP A 12 4.010 -5.941 -2.557 1.00 89.26 C +HETATM 76 OD1 HYP A 12 4.441 -5.361 -4.805 1.00 87.35 O +ATOM 77 N GLY A 13 1.418 -2.032 -2.189 1.00 92.12 N +ATOM 78 CA GLY A 13 0.350 -1.434 -1.434 1.00 90.67 C +ATOM 79 C GLY A 13 -0.938 -2.233 -1.568 1.00 91.21 C +ATOM 80 O GLY A 13 -1.034 -3.149 -2.384 1.00 90.87 O +ATOM 81 N PRO A 14 -1.935 -1.878 -0.767 1.00 90.73 N +ATOM 82 CA PRO A 14 -3.208 -2.590 -0.834 1.00 90.97 C +ATOM 83 C PRO A 14 -3.955 -2.262 -2.118 1.00 91.02 C +ATOM 84 O PRO A 14 -3.710 -1.241 -2.746 1.00 89.28 O +ATOM 85 CB PRO A 14 -3.954 -2.085 0.401 1.00 89.60 C +ATOM 86 CG PRO A 14 -3.401 -0.724 0.621 1.00 88.98 C +ATOM 87 CD PRO A 14 -1.942 -0.827 0.248 1.00 89.98 C +HETATM 88 N HYP A 15 -4.893 -3.123 -2.515 1.00 86.98 N +HETATM 89 CA HYP A 15 -5.742 -2.831 -3.629 1.00 89.95 C +HETATM 90 C HYP A 15 -6.539 -1.547 -3.435 1.00 86.75 C +HETATM 91 O HYP A 15 -6.845 -1.167 -2.302 1.00 88.19 O +HETATM 92 CB HYP A 15 -6.694 -4.061 -3.629 1.00 85.98 C +HETATM 93 CG HYP A 15 -5.859 -5.139 -3.039 1.00 82.95 C +HETATM 94 CD HYP A 15 -5.096 -4.414 -1.970 1.00 87.35 C +HETATM 95 OD1 HYP A 15 -4.931 -5.655 -3.968 1.00 88.44 O +ATOM 96 N GLY A 16 -6.794 -0.859 -4.511 1.00 90.54 N +ATOM 97 CA GLY A 16 -7.573 0.344 -4.442 1.00 88.69 C +ATOM 98 C GLY A 16 -9.000 0.054 -3.994 1.00 89.73 C +ATOM 99 O GLY A 16 -9.427 -1.106 -3.950 1.00 89.53 O +ATOM 100 N PRO A 17 -9.739 1.107 -3.674 1.00 86.52 N +ATOM 101 CA PRO A 17 -11.120 0.913 -3.240 1.00 87.76 C +ATOM 102 C PRO A 17 -12.006 0.482 -4.395 1.00 87.32 C +ATOM 103 O PRO A 17 -11.680 0.690 -5.559 1.00 86.11 O +ATOM 104 CB PRO A 17 -11.514 2.290 -2.708 1.00 86.04 C +ATOM 105 CG PRO A 17 -10.663 3.224 -3.488 1.00 83.80 C +ATOM 106 CD PRO A 17 -9.349 2.510 -3.678 1.00 85.11 C +HETATM 107 N HYP A 18 -13.138 -0.124 -4.109 1.00 85.25 N +HETATM 108 CA HYP A 18 -14.122 -0.443 -5.103 1.00 90.27 C +HETATM 109 C HYP A 18 -14.561 0.765 -5.880 1.00 86.15 C +HETATM 110 O HYP A 18 -14.558 1.892 -5.363 1.00 88.93 O +HETATM 111 CB HYP A 18 -15.260 -1.018 -4.284 1.00 88.19 C +HETATM 112 CG HYP A 18 -14.582 -1.602 -3.101 1.00 84.21 C +HETATM 113 CD HYP A 18 -13.481 -0.602 -2.830 1.00 86.79 C +HETATM 114 OD1 HYP A 18 -13.985 -2.850 -3.397 1.00 89.42 O +ATOM 115 N GLY A 19 -14.884 0.577 -7.147 1.00 89.62 N +ATOM 116 CA GLY A 19 -15.376 1.650 -7.965 1.00 88.36 C +ATOM 117 C GLY A 19 -16.724 2.151 -7.478 1.00 88.42 C +ATOM 118 O GLY A 19 -17.346 1.547 -6.594 1.00 87.23 O +ATOM 119 N PRO A 20 -17.195 3.248 -8.050 1.00 82.81 N +ATOM 120 CA PRO A 20 -18.479 3.797 -7.642 1.00 83.08 C +ATOM 121 C PRO A 20 -19.630 2.920 -8.097 1.00 82.31 C +ATOM 122 O PRO A 20 -19.487 2.093 -8.989 1.00 80.81 O +ATOM 123 CB PRO A 20 -18.499 5.162 -8.328 1.00 79.98 C +ATOM 124 CG PRO A 20 -17.656 4.963 -9.539 1.00 76.50 C +ATOM 125 CD PRO A 20 -16.559 4.025 -9.111 1.00 78.48 C +HETATM 126 N HYP A 21 -20.810 3.060 -7.507 1.00 89.16 N +HETATM 127 CA HYP A 21 -21.973 2.366 -7.908 1.00 89.49 C +HETATM 128 C HYP A 21 -22.342 2.608 -9.360 1.00 90.49 C +HETATM 129 O HYP A 21 -22.051 3.684 -9.883 1.00 89.14 O +HETATM 130 CB HYP A 21 -23.067 2.948 -7.002 1.00 89.53 C +HETATM 131 CG HYP A 21 -22.330 3.367 -5.775 1.00 87.68 C +HETATM 132 CD HYP A 21 -21.018 3.884 -6.352 1.00 89.61 C +HETATM 133 OD1 HYP A 21 -22.044 2.257 -4.942 1.00 88.03 O +ATOM 134 N GLY A 22 -22.925 1.654 -10.017 1.00 85.04 N +ATOM 135 CA GLY A 22 -23.360 1.816 -11.377 1.00 83.28 C +ATOM 136 C GLY A 22 -24.431 2.891 -11.495 1.00 82.20 C +ATOM 137 O GLY A 22 -24.965 3.368 -10.494 1.00 80.11 O +ATOM 138 N PRO A 23 -24.774 3.258 -12.725 1.00 81.63 N +ATOM 139 CA PRO A 23 -25.785 4.292 -12.929 1.00 82.98 C +ATOM 140 C PRO A 23 -27.165 3.787 -12.557 1.00 82.14 C +ATOM 141 O PRO A 23 -27.420 2.584 -12.531 1.00 78.22 O +ATOM 142 CB PRO A 23 -25.672 4.607 -14.416 1.00 77.53 C +ATOM 143 CG PRO A 23 -25.192 3.333 -15.009 1.00 72.37 C +ATOM 144 CD PRO A 23 -24.258 2.745 -13.993 1.00 72.88 C +HETATM 145 N HYP A 24 -28.094 4.648 -12.301 1.00 85.29 N +HETATM 146 CA HYP A 24 -29.432 4.187 -12.044 1.00 85.01 C +HETATM 147 C HYP A 24 -29.967 3.569 -13.331 1.00 85.56 C +HETATM 148 O HYP A 24 -30.600 2.590 -13.210 1.00 82.86 O +HETATM 149 CB HYP A 24 -30.230 5.519 -11.835 1.00 86.59 C +HETATM 150 CG HYP A 24 -29.222 6.537 -11.442 1.00 86.16 C +HETATM 151 CD HYP A 24 -27.940 6.073 -12.137 1.00 84.67 C +HETATM 152 OD1 HYP A 24 -29.005 6.446 -10.050 1.00 81.81 O +HETATM 153 OXT HYP A 24 -29.678 4.136 -14.412 1.00 78.57 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_110.txt b/protein_pdb_110.txt new file mode 100644 index 0000000000000000000000000000000000000000..4c52d92bb00307d6f9fdbc4349624a8e202e5750 --- /dev/null +++ b/protein_pdb_110.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 18.010 -29.971 -5.553 1.00 92.80 N +ATOM 2 CA GLY A 1 18.533 -28.704 -5.056 1.00 94.53 C +ATOM 3 C GLY A 1 17.515 -27.978 -4.205 1.00 94.82 C +ATOM 4 O GLY A 1 16.349 -28.376 -4.160 1.00 93.56 O +ATOM 5 N PRO A 2 17.900 -26.897 -3.528 1.00 94.02 N +ATOM 6 CA PRO A 2 16.972 -26.150 -2.680 1.00 94.98 C +ATOM 7 C PRO A 2 15.937 -25.392 -3.503 1.00 94.84 C +ATOM 8 O PRO A 2 16.166 -25.080 -4.664 1.00 94.77 O +ATOM 9 CB PRO A 2 17.880 -25.189 -1.908 1.00 92.96 C +ATOM 10 CG PRO A 2 19.044 -24.995 -2.811 1.00 89.19 C +ATOM 11 CD PRO A 2 19.246 -26.314 -3.505 1.00 91.35 C +HETATM 12 N HYP A 3 14.878 -25.148 -2.931 1.00 93.06 N +HETATM 13 CA HYP A 3 13.776 -24.299 -3.534 1.00 91.55 C +HETATM 14 C HYP A 3 14.245 -22.889 -3.866 1.00 92.38 C +HETATM 15 O HYP A 3 15.125 -22.342 -3.182 1.00 93.93 O +HETATM 16 CB HYP A 3 12.747 -24.292 -2.412 1.00 92.59 C +HETATM 17 CG HYP A 3 13.028 -25.512 -1.533 1.00 90.16 C +HETATM 18 CD HYP A 3 14.564 -25.609 -1.576 1.00 93.01 C +HETATM 19 OD1 HYP A 3 12.478 -26.672 -2.098 1.00 92.76 O +ATOM 20 N GLY A 4 13.670 -22.303 -4.896 1.00 94.32 N +ATOM 21 CA GLY A 4 13.970 -20.938 -5.246 1.00 93.29 C +ATOM 22 C GLY A 4 13.363 -19.968 -4.244 1.00 93.31 C +ATOM 23 O GLY A 4 12.554 -20.350 -3.404 1.00 94.09 O +ATOM 24 N PRO A 5 13.740 -18.694 -4.337 1.00 94.42 N +ATOM 25 CA PRO A 5 13.212 -17.696 -3.405 1.00 94.88 C +ATOM 26 C PRO A 5 11.755 -17.366 -3.694 1.00 94.53 C +ATOM 27 O PRO A 5 11.278 -17.556 -4.804 1.00 94.63 O +ATOM 28 CB PRO A 5 14.117 -16.481 -3.636 1.00 93.23 C +ATOM 29 CG PRO A 5 14.525 -16.618 -5.063 1.00 90.97 C +ATOM 30 CD PRO A 5 14.675 -18.106 -5.291 1.00 93.23 C +HETATM 31 N HYP A 6 11.086 -16.896 -2.681 1.00 90.78 N +HETATM 32 CA HYP A 6 9.704 -16.365 -2.868 1.00 94.75 C +HETATM 33 C HYP A 6 9.662 -15.218 -3.837 1.00 89.48 C +HETATM 34 O HYP A 6 10.634 -14.450 -3.963 1.00 93.25 O +HETATM 35 CB HYP A 6 9.344 -15.886 -1.432 1.00 88.25 C +HETATM 36 CG HYP A 6 10.220 -16.663 -0.470 1.00 89.02 C +HETATM 37 CD HYP A 6 11.500 -16.826 -1.276 1.00 90.06 C +HETATM 38 OD1 HYP A 6 9.660 -17.940 -0.204 1.00 91.45 O +ATOM 39 N GLY A 7 8.534 -15.047 -4.534 1.00 95.01 N +ATOM 40 CA GLY A 7 8.344 -13.933 -5.434 1.00 94.56 C +ATOM 41 C GLY A 7 8.225 -12.627 -4.668 1.00 94.83 C +ATOM 42 O GLY A 7 8.110 -12.609 -3.441 1.00 95.01 O +ATOM 43 N PRO A 8 8.243 -11.501 -5.396 1.00 94.01 N +ATOM 44 CA PRO A 8 8.144 -10.196 -4.745 1.00 94.45 C +ATOM 45 C PRO A 8 6.754 -9.948 -4.177 1.00 94.31 C +ATOM 46 O PRO A 8 5.778 -10.549 -4.619 1.00 93.70 O +ATOM 47 CB PRO A 8 8.472 -9.206 -5.863 1.00 92.75 C +ATOM 48 CG PRO A 8 8.045 -9.925 -7.097 1.00 91.59 C +ATOM 49 CD PRO A 8 8.357 -11.380 -6.843 1.00 93.36 C +HETATM 50 N HYP A 9 6.657 -9.060 -3.208 1.00 90.95 N +HETATM 51 CA HYP A 9 5.380 -8.635 -2.644 1.00 93.27 C +HETATM 52 C HYP A 9 4.529 -7.970 -3.663 1.00 93.17 C +HETATM 53 O HYP A 9 5.018 -7.292 -4.584 1.00 92.28 O +HETATM 54 CB HYP A 9 5.841 -7.637 -1.534 1.00 89.55 C +HETATM 55 CG HYP A 9 7.263 -7.999 -1.201 1.00 87.86 C +HETATM 56 CD HYP A 9 7.795 -8.478 -2.503 1.00 90.18 C +HETATM 57 OD1 HYP A 9 7.292 -9.064 -0.259 1.00 89.38 O +ATOM 58 N GLY A 10 3.187 -8.099 -3.556 1.00 92.91 N +ATOM 59 CA GLY A 10 2.253 -7.437 -4.440 1.00 91.33 C +ATOM 60 C GLY A 10 2.253 -5.928 -4.230 1.00 91.67 C +ATOM 61 O GLY A 10 2.837 -5.403 -3.276 1.00 90.71 O +ATOM 62 N ASP A 11 1.571 -5.217 -5.149 1.00 93.75 N +ATOM 63 CA ASP A 11 1.496 -3.761 -5.073 1.00 94.64 C +ATOM 64 C ASP A 11 0.737 -3.314 -3.832 1.00 94.93 C +ATOM 65 O ASP A 11 -0.192 -3.971 -3.372 1.00 93.19 O +ATOM 66 CB ASP A 11 0.797 -3.195 -6.306 1.00 92.51 C +ATOM 67 CG ASP A 11 1.617 -3.323 -7.572 1.00 87.71 C +ATOM 68 OD1 ASP A 11 2.841 -3.524 -7.481 1.00 85.34 O +ATOM 69 OD2 ASP A 11 1.019 -3.215 -8.663 1.00 82.89 O +ATOM 70 N ARG A 12 1.132 -2.159 -3.292 1.00 93.64 N +ATOM 71 CA ARG A 12 0.419 -1.544 -2.184 1.00 93.43 C +ATOM 72 C ARG A 12 -0.979 -1.161 -2.650 1.00 93.54 C +ATOM 73 O ARG A 12 -1.174 -0.794 -3.812 1.00 90.97 O +ATOM 74 CB ARG A 12 1.185 -0.306 -1.691 1.00 89.17 C +ATOM 75 CG ARG A 12 0.600 0.323 -0.449 1.00 83.56 C +ATOM 76 CD ARG A 12 1.295 1.624 -0.108 1.00 80.89 C +ATOM 77 NE ARG A 12 2.716 1.442 0.161 1.00 75.93 N +ATOM 78 CZ ARG A 12 3.564 2.415 0.425 1.00 73.08 C +ATOM 79 NH1 ARG A 12 3.154 3.680 0.476 1.00 71.87 N +ATOM 80 NH2 ARG A 12 4.844 2.149 0.641 1.00 66.19 N +ATOM 81 N GLY A 13 -1.937 -1.257 -1.732 1.00 93.31 N +ATOM 82 CA GLY A 13 -3.292 -0.855 -2.058 1.00 91.72 C +ATOM 83 C GLY A 13 -3.405 0.636 -2.320 1.00 92.33 C +ATOM 84 O GLY A 13 -2.444 1.387 -2.118 1.00 92.48 O +ATOM 85 N PRO A 14 -4.580 1.093 -2.772 1.00 93.04 N +ATOM 86 CA PRO A 14 -4.772 2.509 -3.077 1.00 92.78 C +ATOM 87 C PRO A 14 -4.737 3.373 -1.822 1.00 92.60 C +ATOM 88 O PRO A 14 -4.950 2.890 -0.715 1.00 92.53 O +ATOM 89 CB PRO A 14 -6.142 2.561 -3.744 1.00 91.03 C +ATOM 90 CG PRO A 14 -6.856 1.369 -3.201 1.00 90.05 C +ATOM 91 CD PRO A 14 -5.796 0.316 -3.036 1.00 91.54 C +HETATM 92 N HYP A 15 -4.492 4.688 -1.991 1.00 86.98 N +HETATM 93 CA HYP A 15 -4.507 5.647 -0.930 1.00 84.57 C +HETATM 94 C HYP A 15 -5.877 5.711 -0.222 1.00 86.68 C +HETATM 95 O HYP A 15 -6.903 5.373 -0.859 1.00 85.93 O +HETATM 96 CB HYP A 15 -4.197 6.959 -1.648 1.00 83.85 C +HETATM 97 CG HYP A 15 -3.419 6.538 -2.859 1.00 82.37 C +HETATM 98 CD HYP A 15 -4.070 5.245 -3.225 1.00 86.66 C +HETATM 99 OD1 HYP A 15 -2.074 6.324 -2.517 1.00 87.33 O +ATOM 100 N GLY A 16 -5.895 6.033 1.020 1.00 93.91 N +ATOM 101 CA GLY A 16 -7.134 6.185 1.738 1.00 92.87 C +ATOM 102 C GLY A 16 -7.913 7.396 1.249 1.00 93.10 C +ATOM 103 O GLY A 16 -7.415 8.186 0.445 1.00 93.96 O +ATOM 104 N PRO A 17 -9.156 7.549 1.732 1.00 88.51 N +ATOM 105 CA PRO A 17 -9.987 8.672 1.305 1.00 89.08 C +ATOM 106 C PRO A 17 -9.488 9.991 1.864 1.00 88.91 C +ATOM 107 O PRO A 17 -8.780 10.030 2.866 1.00 90.85 O +ATOM 108 CB PRO A 17 -11.365 8.318 1.854 1.00 87.39 C +ATOM 109 CG PRO A 17 -11.069 7.494 3.056 1.00 85.30 C +ATOM 110 CD PRO A 17 -9.846 6.693 2.693 1.00 86.57 C +HETATM 111 N HYP A 18 -9.844 11.102 1.254 1.00 89.67 N +HETATM 112 CA HYP A 18 -9.578 12.425 1.731 1.00 91.45 C +HETATM 113 C HYP A 18 -10.204 12.680 3.103 1.00 87.08 C +HETATM 114 O HYP A 18 -11.216 12.050 3.465 1.00 93.07 O +HETATM 115 CB HYP A 18 -10.219 13.319 0.674 1.00 89.00 C +HETATM 116 CG HYP A 18 -10.234 12.493 -0.589 1.00 87.36 C +HETATM 117 CD HYP A 18 -10.462 11.111 -0.056 1.00 90.22 C +HETATM 118 OD1 HYP A 18 -8.995 12.571 -1.245 1.00 90.93 O +ATOM 119 N GLY A 19 -9.612 13.543 3.870 1.00 93.02 N +ATOM 120 CA GLY A 19 -10.154 13.921 5.148 1.00 92.05 C +ATOM 121 C GLY A 19 -11.448 14.697 4.985 1.00 92.32 C +ATOM 122 O GLY A 19 -11.852 15.040 3.871 1.00 92.69 O +ATOM 123 N PRO A 20 -12.117 15.008 6.105 1.00 89.40 N +ATOM 124 CA PRO A 20 -13.383 15.730 6.051 1.00 89.79 C +ATOM 125 C PRO A 20 -13.183 17.179 5.612 1.00 89.32 C +ATOM 126 O PRO A 20 -12.095 17.730 5.734 1.00 89.87 O +ATOM 127 CB PRO A 20 -13.899 15.643 7.494 1.00 87.08 C +ATOM 128 CG PRO A 20 -12.665 15.502 8.305 1.00 84.47 C +ATOM 129 CD PRO A 20 -11.727 14.673 7.471 1.00 86.18 C +HETATM 130 N HYP A 21 -14.232 17.814 5.134 1.00 91.05 N +HETATM 131 CA HYP A 21 -14.229 19.195 4.711 1.00 90.08 C +HETATM 132 C HYP A 21 -13.960 20.172 5.855 1.00 87.89 C +HETATM 133 O HYP A 21 -14.315 19.876 7.007 1.00 93.70 O +HETATM 134 CB HYP A 21 -15.698 19.426 4.230 1.00 90.02 C +HETATM 135 CG HYP A 21 -16.190 18.077 3.830 1.00 85.37 C +HETATM 136 CD HYP A 21 -15.503 17.162 4.817 1.00 89.83 C +HETATM 137 OD1 HYP A 21 -15.718 17.759 2.519 1.00 91.24 O +ATOM 138 N GLY A 22 -13.274 21.249 5.582 1.00 92.82 N +ATOM 139 CA GLY A 22 -13.049 22.283 6.554 1.00 92.35 C +ATOM 140 C GLY A 22 -14.348 23.012 6.875 1.00 92.70 C +ATOM 141 O GLY A 22 -15.394 22.725 6.294 1.00 92.03 O +ATOM 142 N PRO A 23 -14.294 23.999 7.776 1.00 92.34 N +ATOM 143 CA PRO A 23 -15.504 24.734 8.144 1.00 93.25 C +ATOM 144 C PRO A 23 -15.999 25.595 6.998 1.00 92.44 C +ATOM 145 O PRO A 23 -15.230 25.985 6.119 1.00 90.27 O +ATOM 146 CB PRO A 23 -15.057 25.581 9.336 1.00 90.25 C +ATOM 147 CG PRO A 23 -13.598 25.756 9.119 1.00 87.45 C +ATOM 148 CD PRO A 23 -13.120 24.469 8.498 1.00 90.58 C +HETATM 149 N HYP A 24 -17.280 26.004 6.992 1.00 91.95 N +HETATM 150 CA HYP A 24 -17.783 26.790 5.873 1.00 87.94 C +HETATM 151 C HYP A 24 -17.006 28.003 5.608 1.00 86.18 C +HETATM 152 O HYP A 24 -16.943 28.887 6.464 1.00 85.70 O +HETATM 153 CB HYP A 24 -19.258 27.113 6.250 1.00 89.70 C +HETATM 154 CG HYP A 24 -19.629 26.127 7.283 1.00 84.61 C +HETATM 155 CD HYP A 24 -18.307 25.808 8.001 1.00 90.07 C +HETATM 156 OD1 HYP A 24 -20.110 24.965 6.679 1.00 84.88 O +HETATM 157 OXT HYP A 24 -16.395 27.993 4.518 1.00 86.33 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_111.txt b/protein_pdb_111.txt new file mode 100644 index 0000000000000000000000000000000000000000..4aec36cedc52669d030fe8690156fb975cc93a94 --- /dev/null +++ b/protein_pdb_111.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 18.774 -28.605 -8.162 1.00 89.44 N +ATOM 2 CA GLY A 1 19.261 -27.300 -8.582 1.00 92.11 C +ATOM 3 C GLY A 1 18.939 -26.227 -7.564 1.00 92.30 C +ATOM 4 O GLY A 1 18.187 -26.470 -6.625 1.00 89.92 O +ATOM 5 N PRO A 2 19.472 -25.024 -7.717 1.00 92.44 N +ATOM 6 CA PRO A 2 19.208 -23.933 -6.779 1.00 94.05 C +ATOM 7 C PRO A 2 17.776 -23.434 -6.899 1.00 93.83 C +ATOM 8 O PRO A 2 17.137 -23.582 -7.928 1.00 93.04 O +ATOM 9 CB PRO A 2 20.210 -22.851 -7.181 1.00 92.44 C +ATOM 10 CG PRO A 2 20.426 -23.100 -8.630 1.00 88.39 C +ATOM 11 CD PRO A 2 20.380 -24.601 -8.782 1.00 89.64 C +HETATM 12 N HYP A 3 17.326 -22.911 -5.900 1.00 92.45 N +HETATM 13 CA HYP A 3 15.961 -22.234 -5.842 1.00 91.78 C +HETATM 14 C HYP A 3 15.838 -21.085 -6.833 1.00 89.78 C +HETATM 15 O HYP A 3 16.823 -20.378 -7.133 1.00 92.90 O +HETATM 16 CB HYP A 3 15.955 -21.705 -4.404 1.00 91.01 C +HETATM 17 CG HYP A 3 16.952 -22.571 -3.606 1.00 89.74 C +HETATM 18 CD HYP A 3 18.050 -22.853 -4.640 1.00 92.43 C +HETATM 19 OD1 HYP A 3 16.358 -23.779 -3.221 1.00 91.82 O +ATOM 20 N GLY A 4 14.636 -20.899 -7.370 1.00 92.71 N +ATOM 21 CA GLY A 4 14.378 -19.805 -8.274 1.00 92.07 C +ATOM 22 C GLY A 4 14.270 -18.489 -7.524 1.00 92.30 C +ATOM 23 O GLY A 4 14.237 -18.461 -6.292 1.00 92.45 O +ATOM 24 N PRO A 5 14.202 -17.363 -8.246 1.00 92.74 N +ATOM 25 CA PRO A 5 14.108 -16.056 -7.598 1.00 93.79 C +ATOM 26 C PRO A 5 12.742 -15.846 -6.961 1.00 93.30 C +ATOM 27 O PRO A 5 11.756 -16.451 -7.373 1.00 92.84 O +ATOM 28 CB PRO A 5 14.351 -15.073 -8.741 1.00 91.75 C +ATOM 29 CG PRO A 5 13.851 -15.810 -9.937 1.00 89.07 C +ATOM 30 CD PRO A 5 14.234 -17.252 -9.696 1.00 91.43 C +HETATM 31 N HYP A 6 12.713 -15.003 -5.959 1.00 89.36 N +HETATM 32 CA HYP A 6 11.415 -14.599 -5.347 1.00 94.75 C +HETATM 33 C HYP A 6 10.512 -13.908 -6.334 1.00 88.55 C +HETATM 34 O HYP A 6 10.961 -13.257 -7.299 1.00 92.44 O +HETATM 35 CB HYP A 6 11.880 -13.603 -4.261 1.00 88.43 C +HETATM 36 CG HYP A 6 13.302 -13.970 -3.917 1.00 88.21 C +HETATM 37 CD HYP A 6 13.841 -14.423 -5.247 1.00 91.08 C +HETATM 38 OD1 HYP A 6 13.339 -15.034 -2.987 1.00 89.72 O +ATOM 39 N GLY A 7 9.188 -14.031 -6.129 1.00 95.43 N +ATOM 40 CA GLY A 7 8.211 -13.385 -6.969 1.00 94.65 C +ATOM 41 C GLY A 7 8.206 -11.878 -6.756 1.00 94.94 C +ATOM 42 O GLY A 7 8.870 -11.360 -5.861 1.00 94.67 O +ATOM 43 N PRO A 8 7.437 -11.160 -7.575 1.00 92.90 N +ATOM 44 CA PRO A 8 7.366 -9.705 -7.448 1.00 93.35 C +ATOM 45 C PRO A 8 6.640 -9.285 -6.179 1.00 92.82 C +ATOM 46 O PRO A 8 5.835 -10.031 -5.636 1.00 91.61 O +ATOM 47 CB PRO A 8 6.615 -9.274 -8.704 1.00 91.51 C +ATOM 48 CG PRO A 8 5.761 -10.451 -9.015 1.00 90.92 C +ATOM 49 CD PRO A 8 6.608 -11.654 -8.660 1.00 92.97 C +HETATM 50 N HYP A 9 6.905 -8.093 -5.716 1.00 90.09 N +HETATM 51 CA HYP A 9 6.196 -7.510 -4.565 1.00 93.75 C +HETATM 52 C HYP A 9 4.768 -7.324 -4.849 1.00 92.18 C +HETATM 53 O HYP A 9 4.339 -7.052 -5.980 1.00 91.69 O +HETATM 54 CB HYP A 9 6.941 -6.150 -4.426 1.00 89.13 C +HETATM 55 CG HYP A 9 8.282 -6.340 -5.025 1.00 85.92 C +HETATM 56 CD HYP A 9 8.015 -7.280 -6.157 1.00 90.56 C +HETATM 57 OD1 HYP A 9 9.171 -6.953 -4.110 1.00 88.56 O +ATOM 58 N GLY A 10 3.913 -7.391 -3.775 1.00 92.65 N +ATOM 59 CA GLY A 10 2.486 -7.181 -3.893 1.00 90.99 C +ATOM 60 C GLY A 10 2.158 -5.744 -4.263 1.00 91.04 C +ATOM 61 O GLY A 10 3.010 -4.850 -4.210 1.00 89.61 O +ATOM 62 N GLU A 11 0.884 -5.509 -4.629 1.00 90.87 N +ATOM 63 CA GLU A 11 0.433 -4.173 -5.010 1.00 92.06 C +ATOM 64 C GLU A 11 0.409 -3.241 -3.809 1.00 91.98 C +ATOM 65 O GLU A 11 0.164 -3.659 -2.675 1.00 89.10 O +ATOM 66 CB GLU A 11 -0.966 -4.233 -5.622 1.00 88.38 C +ATOM 67 CG GLU A 11 -1.013 -4.971 -6.937 1.00 82.35 C +ATOM 68 CD GLU A 11 -2.411 -4.960 -7.535 1.00 78.96 C +ATOM 69 OE1 GLU A 11 -3.373 -4.732 -6.780 1.00 74.75 O +ATOM 70 OE2 GLU A 11 -2.533 -5.200 -8.742 1.00 75.14 O +ATOM 71 N ILE A 12 0.661 -1.956 -4.056 1.00 90.92 N +ATOM 72 CA ILE A 12 0.570 -0.952 -3.001 1.00 90.88 C +ATOM 73 C ILE A 12 -0.912 -0.745 -2.698 1.00 90.82 C +ATOM 74 O ILE A 12 -1.725 -0.613 -3.617 1.00 87.67 O +ATOM 75 CB ILE A 12 1.229 0.371 -3.432 1.00 87.81 C +ATOM 76 CG1 ILE A 12 2.726 0.150 -3.665 1.00 84.10 C +ATOM 77 CG2 ILE A 12 1.018 1.449 -2.378 1.00 82.03 C +ATOM 78 CD1 ILE A 12 3.437 1.354 -4.252 1.00 76.11 C +ATOM 79 N GLY A 13 -1.233 -0.738 -1.404 1.00 91.01 N +ATOM 80 CA GLY A 13 -2.619 -0.588 -1.009 1.00 89.78 C +ATOM 81 C GLY A 13 -3.216 0.751 -1.390 1.00 90.13 C +ATOM 82 O GLY A 13 -2.505 1.679 -1.787 1.00 89.69 O +ATOM 83 N PRO A 14 -4.552 0.895 -1.266 1.00 89.30 N +ATOM 84 CA PRO A 14 -5.231 2.144 -1.612 1.00 89.86 C +ATOM 85 C PRO A 14 -4.917 3.249 -0.615 1.00 89.11 C +ATOM 86 O PRO A 14 -4.462 2.989 0.493 1.00 87.88 O +ATOM 87 CB PRO A 14 -6.707 1.771 -1.578 1.00 87.85 C +ATOM 88 CG PRO A 14 -6.769 0.664 -0.588 1.00 87.02 C +ATOM 89 CD PRO A 14 -5.498 -0.119 -0.809 1.00 87.79 C +HETATM 90 N HYP A 15 -5.192 4.507 -0.978 1.00 84.97 N +HETATM 91 CA HYP A 15 -5.029 5.643 -0.128 1.00 88.17 C +HETATM 92 C HYP A 15 -5.901 5.573 1.141 1.00 88.08 C +HETATM 93 O HYP A 15 -6.931 4.877 1.142 1.00 85.12 O +HETATM 94 CB HYP A 15 -5.509 6.791 -1.033 1.00 81.70 C +HETATM 95 CG HYP A 15 -5.215 6.281 -2.423 1.00 79.69 C +HETATM 96 CD HYP A 15 -5.538 4.839 -2.293 1.00 85.48 C +HETATM 97 OD1 HYP A 15 -3.872 6.442 -2.743 1.00 84.01 O +ATOM 98 N GLY A 16 -5.453 6.162 2.188 1.00 92.34 N +ATOM 99 CA GLY A 16 -6.207 6.170 3.411 1.00 91.37 C +ATOM 100 C GLY A 16 -7.464 7.011 3.291 1.00 91.81 C +ATOM 101 O GLY A 16 -7.672 7.696 2.283 1.00 91.92 O +ATOM 102 N PRO A 17 -8.324 6.983 4.322 1.00 86.53 N +ATOM 103 CA PRO A 17 -9.566 7.748 4.286 1.00 89.05 C +ATOM 104 C PRO A 17 -9.312 9.240 4.415 1.00 89.12 C +ATOM 105 O PRO A 17 -8.298 9.669 4.945 1.00 89.23 O +ATOM 106 CB PRO A 17 -10.345 7.203 5.485 1.00 88.00 C +ATOM 107 CG PRO A 17 -9.281 6.781 6.432 1.00 85.22 C +ATOM 108 CD PRO A 17 -8.188 6.219 5.558 1.00 86.21 C +HETATM 109 N HYP A 18 -10.235 10.068 3.967 1.00 87.87 N +HETATM 110 CA HYP A 18 -10.184 11.491 4.107 1.00 92.35 C +HETATM 111 C HYP A 18 -10.273 11.926 5.571 1.00 85.66 C +HETATM 112 O HYP A 18 -10.815 11.208 6.438 1.00 91.71 O +HETATM 113 CB HYP A 18 -11.481 11.926 3.401 1.00 88.42 C +HETATM 114 CG HYP A 18 -11.763 10.857 2.405 1.00 84.83 C +HETATM 115 CD HYP A 18 -11.308 9.627 3.117 1.00 88.78 C +HETATM 116 OD1 HYP A 18 -11.018 11.048 1.236 1.00 89.27 O +ATOM 117 N GLY A 19 -9.713 13.069 5.882 1.00 90.43 N +ATOM 118 CA GLY A 19 -9.765 13.606 7.217 1.00 90.28 C +ATOM 119 C GLY A 19 -11.173 14.040 7.577 1.00 90.70 C +ATOM 120 O GLY A 19 -12.080 14.020 6.744 1.00 90.96 O +ATOM 121 N PRO A 20 -11.381 14.465 8.830 1.00 84.23 N +ATOM 122 CA PRO A 20 -12.706 14.888 9.278 1.00 86.16 C +ATOM 123 C PRO A 20 -13.123 16.200 8.630 1.00 85.31 C +ATOM 124 O PRO A 20 -12.282 16.988 8.197 1.00 84.99 O +ATOM 125 CB PRO A 20 -12.536 15.028 10.792 1.00 83.34 C +ATOM 126 CG PRO A 20 -11.090 15.352 10.959 1.00 80.46 C +ATOM 127 CD PRO A 20 -10.389 14.541 9.897 1.00 83.77 C +HETATM 128 N HYP A 21 -14.406 16.466 8.587 1.00 88.85 N +HETATM 129 CA HYP A 21 -14.951 17.708 8.038 1.00 90.36 C +HETATM 130 C HYP A 21 -14.596 18.957 8.856 1.00 85.27 C +HETATM 131 O HYP A 21 -14.414 18.859 10.077 1.00 91.81 O +HETATM 132 CB HYP A 21 -16.491 17.492 8.197 1.00 87.62 C +HETATM 133 CG HYP A 21 -16.695 16.007 8.214 1.00 83.66 C +HETATM 134 CD HYP A 21 -15.450 15.507 8.908 1.00 89.80 C +HETATM 135 OD1 HYP A 21 -16.696 15.513 6.883 1.00 89.52 O +ATOM 136 N GLY A 22 -14.408 20.063 8.211 1.00 89.30 N +ATOM 137 CA GLY A 22 -14.120 21.303 8.873 1.00 88.69 C +ATOM 138 C GLY A 22 -15.353 21.828 9.595 1.00 89.02 C +ATOM 139 O GLY A 22 -16.427 21.232 9.524 1.00 87.50 O +ATOM 140 N PRO A 23 -15.249 22.990 10.265 1.00 87.51 N +ATOM 141 CA PRO A 23 -16.391 23.558 10.977 1.00 89.09 C +ATOM 142 C PRO A 23 -17.442 24.062 10.014 1.00 88.12 C +ATOM 143 O PRO A 23 -17.146 24.385 8.866 1.00 84.13 O +ATOM 144 CB PRO A 23 -15.769 24.689 11.795 1.00 84.59 C +ATOM 145 CG PRO A 23 -14.587 25.088 10.994 1.00 81.73 C +ATOM 146 CD PRO A 23 -14.056 23.807 10.410 1.00 83.96 C +HETATM 147 N HYP A 24 -18.702 24.236 10.464 1.00 89.26 N +HETATM 148 CA HYP A 24 -19.732 24.683 9.531 1.00 83.13 C +HETATM 149 C HYP A 24 -19.442 26.022 8.968 1.00 88.99 C +HETATM 150 O HYP A 24 -19.988 27.053 9.303 1.00 81.81 O +HETATM 151 CB HYP A 24 -21.013 24.779 10.414 1.00 86.28 C +HETATM 152 CG HYP A 24 -20.740 23.968 11.622 1.00 82.05 C +HETATM 153 CD HYP A 24 -19.216 24.045 11.790 1.00 88.85 C +HETATM 154 OD1 HYP A 24 -21.090 22.638 11.381 1.00 82.48 O +HETATM 155 OXT HYP A 24 -18.532 25.987 8.164 1.00 80.05 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_112.txt b/protein_pdb_112.txt new file mode 100644 index 0000000000000000000000000000000000000000..5b471f3c1a79041e58b4510b9273ae16e134539a --- /dev/null +++ b/protein_pdb_112.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -20.619 28.100 4.255 1.00 86.30 N +ATOM 2 CA GLY A 1 -19.575 28.252 3.249 1.00 89.42 C +ATOM 3 C GLY A 1 -19.465 27.026 2.369 1.00 90.54 C +ATOM 4 O GLY A 1 -20.087 25.997 2.653 1.00 86.89 O +ATOM 5 N PRO A 2 -18.680 27.084 1.308 1.00 88.82 N +ATOM 6 CA PRO A 2 -18.513 25.938 0.409 1.00 90.98 C +ATOM 7 C PRO A 2 -17.722 24.819 1.078 1.00 91.40 C +ATOM 8 O PRO A 2 -16.986 25.047 2.031 1.00 89.44 O +ATOM 9 CB PRO A 2 -17.768 26.526 -0.787 1.00 88.02 C +ATOM 10 CG PRO A 2 -16.975 27.634 -0.183 1.00 85.11 C +ATOM 11 CD PRO A 2 -17.888 28.234 0.859 1.00 86.75 C +HETATM 12 N HYP A 3 -17.899 23.693 0.595 1.00 94.17 N +HETATM 13 CA HYP A 3 -17.112 22.498 1.061 1.00 91.87 C +HETATM 14 C HYP A 3 -15.617 22.730 0.908 1.00 94.68 C +HETATM 15 O HYP A 3 -15.175 23.414 -0.046 1.00 92.46 O +HETATM 16 CB HYP A 3 -17.606 21.391 0.145 1.00 90.97 C +HETATM 17 CG HYP A 3 -18.987 21.824 -0.349 1.00 89.69 C +HETATM 18 CD HYP A 3 -18.815 23.344 -0.486 1.00 92.92 C +HETATM 19 OD1 HYP A 3 -19.995 21.551 0.570 1.00 90.33 O +ATOM 20 N GLY A 4 -14.839 22.190 1.847 1.00 91.62 N +ATOM 21 CA GLY A 4 -13.401 22.324 1.787 1.00 90.88 C +ATOM 22 C GLY A 4 -12.822 21.448 0.682 1.00 91.24 C +ATOM 23 O GLY A 4 -13.536 20.651 0.068 1.00 90.14 O +ATOM 24 N PRO A 5 -11.517 21.582 0.424 1.00 93.14 N +ATOM 25 CA PRO A 5 -10.882 20.787 -0.621 1.00 93.07 C +ATOM 26 C PRO A 5 -10.808 19.312 -0.224 1.00 93.20 C +ATOM 27 O PRO A 5 -10.844 18.977 0.955 1.00 92.26 O +ATOM 28 CB PRO A 5 -9.494 21.411 -0.754 1.00 91.13 C +ATOM 29 CG PRO A 5 -9.235 21.959 0.612 1.00 89.05 C +ATOM 30 CD PRO A 5 -10.573 22.486 1.066 1.00 90.74 C +HETATM 31 N HYP A 6 -10.714 18.471 -1.200 1.00 93.46 N +HETATM 32 CA HYP A 6 -10.495 17.013 -0.925 1.00 93.07 C +HETATM 33 C HYP A 6 -9.272 16.732 -0.130 1.00 92.57 C +HETATM 34 O HYP A 6 -8.264 17.480 -0.264 1.00 90.53 O +HETATM 35 CB HYP A 6 -10.438 16.408 -2.335 1.00 89.49 C +HETATM 36 CG HYP A 6 -11.234 17.368 -3.196 1.00 88.63 C +HETATM 37 CD HYP A 6 -10.869 18.716 -2.595 1.00 92.15 C +HETATM 38 OD1 HYP A 6 -12.613 17.134 -3.089 1.00 88.70 O +ATOM 39 N GLY A 7 -9.307 15.724 0.762 1.00 94.02 N +ATOM 40 CA GLY A 7 -8.170 15.371 1.584 1.00 93.45 C +ATOM 41 C GLY A 7 -7.064 14.739 0.750 1.00 93.93 C +ATOM 42 O GLY A 7 -7.241 14.463 -0.437 1.00 93.59 O +ATOM 43 N PRO A 8 -5.895 14.501 1.373 1.00 91.04 N +ATOM 44 CA PRO A 8 -4.772 13.902 0.658 1.00 91.09 C +ATOM 45 C PRO A 8 -5.042 12.427 0.343 1.00 91.13 C +ATOM 46 O PRO A 8 -5.862 11.789 0.994 1.00 89.93 O +ATOM 47 CB PRO A 8 -3.609 14.071 1.629 1.00 89.19 C +ATOM 48 CG PRO A 8 -4.277 14.033 2.966 1.00 88.17 C +ATOM 49 CD PRO A 8 -5.565 14.792 2.762 1.00 89.92 C +HETATM 50 N HYP A 9 -4.353 11.891 -0.594 1.00 93.37 N +HETATM 51 CA HYP A 9 -4.427 10.457 -0.941 1.00 91.55 C +HETATM 52 C HYP A 9 -4.004 9.596 0.193 1.00 93.26 C +HETATM 53 O HYP A 9 -3.131 10.001 0.985 1.00 89.80 O +HETATM 54 CB HYP A 9 -3.393 10.319 -2.125 1.00 89.91 C +HETATM 55 CG HYP A 9 -3.353 11.689 -2.717 1.00 87.85 C +HETATM 56 CD HYP A 9 -3.522 12.594 -1.506 1.00 89.88 C +HETATM 57 OD1 HYP A 9 -4.434 11.877 -3.602 1.00 83.58 O +ATOM 58 N GLY A 10 -4.593 8.409 0.322 1.00 93.79 N +ATOM 59 CA GLY A 10 -4.244 7.489 1.378 1.00 92.30 C +ATOM 60 C GLY A 10 -2.820 6.991 1.226 1.00 92.50 C +ATOM 61 O GLY A 10 -2.203 7.116 0.161 1.00 91.56 O +ATOM 62 N ALA A 11 -2.284 6.424 2.310 1.00 91.37 N +ATOM 63 CA ALA A 11 -0.927 5.898 2.293 1.00 90.89 C +ATOM 64 C ALA A 11 -0.822 4.675 1.390 1.00 90.72 C +ATOM 65 O ALA A 11 -1.763 3.893 1.269 1.00 87.69 O +ATOM 66 CB ALA A 11 -0.501 5.533 3.710 1.00 87.73 C +ATOM 67 N MET A 12 0.352 4.501 0.762 1.00 88.24 N +ATOM 68 CA MET A 12 0.589 3.329 -0.071 1.00 87.17 C +ATOM 69 C MET A 12 0.570 2.084 0.812 1.00 88.04 C +ATOM 70 O MET A 12 0.994 2.128 1.966 1.00 81.96 O +ATOM 71 CB MET A 12 1.945 3.461 -0.783 1.00 82.05 C +ATOM 72 CG MET A 12 2.223 2.363 -1.792 1.00 77.82 C +ATOM 73 SD MET A 12 3.733 2.663 -2.729 1.00 73.69 S +ATOM 74 CE MET A 12 3.253 4.078 -3.684 1.00 68.87 C +ATOM 75 N GLY A 13 0.051 1.000 0.258 1.00 92.08 N +ATOM 76 CA GLY A 13 -0.030 -0.243 1.007 1.00 90.76 C +ATOM 77 C GLY A 13 1.327 -0.827 1.357 1.00 92.03 C +ATOM 78 O GLY A 13 2.356 -0.380 0.830 1.00 92.05 O +ATOM 79 N PRO A 14 1.370 -1.831 2.246 1.00 90.62 N +ATOM 80 CA PRO A 14 2.633 -2.445 2.647 1.00 90.95 C +ATOM 81 C PRO A 14 3.229 -3.277 1.522 1.00 91.44 C +ATOM 82 O PRO A 14 2.522 -3.688 0.605 1.00 90.54 O +ATOM 83 CB PRO A 14 2.239 -3.316 3.838 1.00 89.21 C +ATOM 84 CG PRO A 14 0.830 -3.688 3.539 1.00 88.20 C +ATOM 85 CD PRO A 14 0.235 -2.435 2.936 1.00 89.66 C +HETATM 86 N HYP A 15 4.511 -3.547 1.615 1.00 89.86 N +HETATM 87 CA HYP A 15 5.195 -4.418 0.655 1.00 91.47 C +HETATM 88 C HYP A 15 4.609 -5.824 0.630 1.00 93.18 C +HETATM 89 O HYP A 15 4.054 -6.278 1.657 1.00 86.17 O +HETATM 90 CB HYP A 15 6.624 -4.442 1.230 1.00 88.42 C +HETATM 91 CG HYP A 15 6.753 -3.143 2.007 1.00 84.83 C +HETATM 92 CD HYP A 15 5.385 -2.973 2.581 1.00 88.39 C +HETATM 93 OD1 HYP A 15 7.038 -2.053 1.159 1.00 87.48 O +ATOM 94 N GLY A 16 4.652 -6.467 -0.490 1.00 94.11 N +ATOM 95 CA GLY A 16 4.182 -7.825 -0.584 1.00 93.48 C +ATOM 96 C GLY A 16 5.103 -8.760 0.182 1.00 94.22 C +ATOM 97 O GLY A 16 6.159 -8.351 0.667 1.00 94.10 O +ATOM 98 N PRO A 17 4.716 -10.052 0.302 1.00 91.60 N +ATOM 99 CA PRO A 17 5.537 -11.011 1.031 1.00 92.17 C +ATOM 100 C PRO A 17 6.841 -11.301 0.299 1.00 92.43 C +ATOM 101 O PRO A 17 6.931 -11.141 -0.909 1.00 91.75 O +ATOM 102 CB PRO A 17 4.646 -12.249 1.119 1.00 90.15 C +ATOM 103 CG PRO A 17 3.775 -12.134 -0.085 1.00 87.47 C +ATOM 104 CD PRO A 17 3.492 -10.661 -0.217 1.00 88.92 C +HETATM 105 N HYP A 18 7.839 -11.773 1.032 1.00 93.36 N +HETATM 106 CA HYP A 18 9.119 -12.136 0.435 1.00 93.39 C +HETATM 107 C HYP A 18 8.985 -13.270 -0.570 1.00 93.55 C +HETATM 108 O HYP A 18 8.113 -14.157 -0.412 1.00 90.70 O +HETATM 109 CB HYP A 18 9.909 -12.631 1.655 1.00 91.46 C +HETATM 110 CG HYP A 18 9.319 -11.940 2.843 1.00 90.36 C +HETATM 111 CD HYP A 18 7.848 -11.868 2.472 1.00 91.51 C +HETATM 112 OD1 HYP A 18 9.820 -10.628 2.998 1.00 89.68 O +ATOM 113 N GLY A 19 9.750 -13.224 -1.648 1.00 91.91 N +ATOM 114 CA GLY A 19 9.733 -14.261 -2.646 1.00 91.58 C +ATOM 115 C GLY A 19 10.342 -15.536 -2.090 1.00 92.33 C +ATOM 116 O GLY A 19 10.926 -15.538 -1.005 1.00 91.86 O +ATOM 117 N PRO A 20 10.225 -16.647 -2.823 1.00 91.41 N +ATOM 118 CA PRO A 20 10.775 -17.915 -2.359 1.00 90.95 C +ATOM 119 C PRO A 20 12.291 -17.922 -2.432 1.00 91.13 C +ATOM 120 O PRO A 20 12.883 -17.154 -3.181 1.00 89.87 O +ATOM 121 CB PRO A 20 10.145 -18.929 -3.311 1.00 88.10 C +ATOM 122 CG PRO A 20 9.967 -18.148 -4.568 1.00 85.30 C +ATOM 123 CD PRO A 20 9.544 -16.774 -4.103 1.00 87.83 C +HETATM 124 N HYP A 21 12.962 -18.803 -1.660 1.00 94.79 N +HETATM 125 CA HYP A 21 14.384 -18.934 -1.730 1.00 93.17 C +HETATM 126 C HYP A 21 14.885 -19.339 -3.107 1.00 95.18 C +HETATM 127 O HYP A 21 14.153 -20.035 -3.835 1.00 92.78 O +HETATM 128 CB HYP A 21 14.670 -20.120 -0.745 1.00 92.35 C +HETATM 129 CG HYP A 21 13.526 -20.085 0.243 1.00 89.82 C +HETATM 130 CD HYP A 21 12.367 -19.635 -0.614 1.00 91.35 C +HETATM 131 OD1 HYP A 21 13.747 -19.108 1.260 1.00 89.87 O +ATOM 132 N GLY A 22 16.048 -18.888 -3.537 1.00 89.84 N +ATOM 133 CA GLY A 22 16.598 -19.232 -4.814 1.00 89.27 C +ATOM 134 C GLY A 22 16.889 -20.725 -4.901 1.00 90.04 C +ATOM 135 O GLY A 22 16.859 -21.428 -3.887 1.00 88.74 O +ATOM 136 N PRO A 23 17.215 -21.238 -6.097 1.00 90.84 N +ATOM 137 CA PRO A 23 17.494 -22.658 -6.259 1.00 91.17 C +ATOM 138 C PRO A 23 18.791 -23.044 -5.576 1.00 90.74 C +ATOM 139 O PRO A 23 19.701 -22.218 -5.447 1.00 87.03 O +ATOM 140 CB PRO A 23 17.551 -22.847 -7.767 1.00 86.78 C +ATOM 141 CG PRO A 23 17.993 -21.517 -8.264 1.00 82.39 C +ATOM 142 CD PRO A 23 17.292 -20.530 -7.366 1.00 85.22 C +HETATM 143 N HYP A 24 18.974 -24.297 -5.172 1.00 92.89 N +HETATM 144 CA HYP A 24 20.237 -24.683 -4.521 1.00 87.93 C +HETATM 145 C HYP A 24 21.385 -24.547 -5.490 1.00 90.25 C +HETATM 146 O HYP A 24 22.468 -24.351 -5.066 1.00 88.84 O +HETATM 147 CB HYP A 24 20.011 -26.233 -4.267 1.00 90.84 C +HETATM 148 CG HYP A 24 18.541 -26.471 -4.287 1.00 88.92 C +HETATM 149 CD HYP A 24 18.009 -25.393 -5.236 1.00 90.81 C +HETATM 150 OD1 HYP A 24 18.002 -26.228 -2.989 1.00 85.00 O +HETATM 151 OXT HYP A 24 21.141 -24.651 -6.715 1.00 85.25 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_113.txt b/protein_pdb_113.txt new file mode 100644 index 0000000000000000000000000000000000000000..6e1990fec370e56cc60ffa0ebd1f420cdedc6eff --- /dev/null +++ b/protein_pdb_113.txt @@ -0,0 +1,1588 @@ +ATOM 1 N GLY A 1 56.389 -14.179-109.446 1.00 58.57 N +ATOM 2 CA GLY A 1 54.967 -14.255-109.082 1.00 63.84 C +ATOM 3 C GLY A 1 54.665 -13.192-108.053 1.00 60.52 C +ATOM 4 O GLY A 1 55.528 -12.943-107.213 1.00 57.55 O +ATOM 5 N LEU A 2 53.507 -12.530-108.147 1.00 62.63 N +ATOM 6 CA LEU A 2 53.067 -11.559-107.149 1.00 69.46 C +ATOM 7 C LEU A 2 52.725 -12.281-105.835 1.00 64.93 C +ATOM 8 O LEU A 2 52.203 -13.396-105.884 1.00 64.10 O +ATOM 9 CB LEU A 2 51.851 -10.777-107.691 1.00 68.81 C +ATOM 10 CG LEU A 2 52.179 -9.833-108.864 1.00 60.91 C +ATOM 11 CD1 LEU A 2 50.900 -9.375-109.563 1.00 56.82 C +ATOM 12 CD2 LEU A 2 52.942 -8.592-108.384 1.00 55.70 C +ATOM 13 N PRO A 3 52.966 -11.677-104.634 1.00 64.91 N +ATOM 14 CA PRO A 3 52.537 -12.238-103.354 1.00 69.84 C +ATOM 15 C PRO A 3 51.010 -12.382-103.321 1.00 66.87 C +ATOM 16 O PRO A 3 50.292 -11.479-103.745 1.00 64.68 O +ATOM 17 CB PRO A 3 53.027 -11.259-102.274 1.00 70.23 C +ATOM 18 CG PRO A 3 54.082 -10.417-102.968 1.00 65.90 C +ATOM 19 CD PRO A 3 53.665 -10.404-104.428 1.00 67.60 C +ATOM 20 N GLY A 4 50.539 -13.497-102.817 1.00 68.68 N +ATOM 21 CA GLY A 4 49.107 -13.736-102.641 1.00 69.47 C +ATOM 22 C GLY A 4 48.452 -12.712-101.706 1.00 67.66 C +ATOM 23 O GLY A 4 49.134 -12.146-100.849 1.00 67.22 O +ATOM 24 N PRO A 5 47.134 -12.459-101.842 1.00 58.68 N +ATOM 25 CA PRO A 5 46.411 -11.526-100.985 1.00 64.49 C +ATOM 26 C PRO A 5 46.484 -11.975 -99.520 1.00 61.48 C +ATOM 27 O PRO A 5 46.456 -13.169 -99.206 1.00 61.25 O +ATOM 28 CB PRO A 5 44.976 -11.476-101.528 1.00 65.49 C +ATOM 29 CG PRO A 5 44.809 -12.832-102.210 1.00 63.12 C +ATOM 30 CD PRO A 5 46.208 -13.131-102.748 1.00 64.52 C +ATOM 31 N ARG A 6 46.599 -10.994 -98.605 1.00 67.76 N +ATOM 32 CA ARG A 6 46.575 -11.231 -97.161 1.00 72.89 C +ATOM 33 C ARG A 6 45.221 -11.815 -96.778 1.00 67.47 C +ATOM 34 O ARG A 6 44.198 -11.261 -97.160 1.00 63.27 O +ATOM 35 CB ARG A 6 46.869 -9.910 -96.431 1.00 70.90 C +ATOM 36 CG ARG A 6 47.063 -10.084 -94.917 1.00 67.50 C +ATOM 37 CD ARG A 6 47.465 -8.738 -94.293 1.00 64.04 C +ATOM 38 NE ARG A 6 47.804 -8.852 -92.869 1.00 59.72 N +ATOM 39 CZ ARG A 6 48.350 -7.915 -92.122 1.00 54.63 C +ATOM 40 NH1 ARG A 6 48.634 -6.725 -92.595 1.00 54.19 N +ATOM 41 NH2 ARG A 6 48.633 -8.147 -90.871 1.00 53.30 N +ATOM 42 N GLY A 7 45.206 -12.921 -96.056 1.00 68.49 N +ATOM 43 CA GLY A 7 43.978 -13.569 -95.607 1.00 68.67 C +ATOM 44 C GLY A 7 43.078 -12.612 -94.823 1.00 67.80 C +ATOM 45 O GLY A 7 43.575 -11.761 -94.074 1.00 66.16 O +ATOM 46 N GLU A 8 41.772 -12.748 -95.020 1.00 56.56 N +ATOM 47 CA GLU A 8 40.762 -11.962 -94.305 1.00 63.48 C +ATOM 48 C GLU A 8 40.858 -12.195 -92.794 1.00 59.14 C +ATOM 49 O GLU A 8 41.146 -13.294 -92.312 1.00 58.50 O +ATOM 50 CB GLU A 8 39.345 -12.269 -94.822 1.00 63.28 C +ATOM 51 CG GLU A 8 39.158 -11.807 -96.283 1.00 57.86 C +ATOM 52 CD GLU A 8 37.709 -12.004 -96.801 1.00 55.13 C +ATOM 53 OE1 GLU A 8 37.380 -11.344 -97.820 1.00 51.75 O +ATOM 54 OE2 GLU A 8 36.971 -12.801 -96.197 1.00 52.55 O +ATOM 55 N GLN A 9 40.649 -11.126 -92.028 1.00 65.67 N +ATOM 56 CA GLN A 9 40.629 -11.201 -90.572 1.00 70.05 C +ATOM 57 C GLN A 9 39.440 -12.051 -90.125 1.00 66.19 C +ATOM 58 O GLN A 9 38.314 -11.815 -90.549 1.00 61.60 O +ATOM 59 CB GLN A 9 40.598 -9.770 -90.007 1.00 69.33 C +ATOM 60 CG GLN A 9 40.726 -9.719 -88.472 1.00 65.52 C +ATOM 61 CD GLN A 9 40.887 -8.301 -87.935 1.00 61.71 C +ATOM 62 OE1 GLN A 9 40.971 -7.312 -88.642 1.00 60.43 O +ATOM 63 NE2 GLN A 9 40.978 -8.134 -86.630 1.00 56.41 N +ATOM 64 N GLY A 10 39.671 -13.034 -89.264 1.00 64.49 N +ATOM 65 CA GLY A 10 38.620 -13.920 -88.768 1.00 64.95 C +ATOM 66 C GLY A 10 37.509 -13.150 -88.051 1.00 64.70 C +ATOM 67 O GLY A 10 37.771 -12.086 -87.475 1.00 62.96 O +ATOM 68 N PRO A 11 36.271 -13.663 -88.078 1.00 59.09 N +ATOM 69 CA PRO A 11 35.144 -13.005 -87.439 1.00 62.90 C +ATOM 70 C PRO A 11 35.386 -12.831 -85.937 1.00 59.60 C +ATOM 71 O PRO A 11 35.989 -13.686 -85.287 1.00 58.40 O +ATOM 72 CB PRO A 11 33.916 -13.873 -87.737 1.00 63.47 C +ATOM 73 CG PRO A 11 34.508 -15.260 -87.962 1.00 61.55 C +ATOM 74 CD PRO A 11 35.856 -14.954 -88.613 1.00 63.32 C +ATOM 75 N THR A 12 34.887 -11.730 -85.379 1.00 68.29 N +ATOM 76 CA THR A 12 34.920 -11.467 -83.940 1.00 70.20 C +ATOM 77 C THR A 12 34.180 -12.588 -83.201 1.00 66.66 C +ATOM 78 O THR A 12 33.069 -12.951 -83.572 1.00 62.82 O +ATOM 79 CB THR A 12 34.290 -10.106 -83.616 1.00 68.65 C +ATOM 80 OG1 THR A 12 34.907 -9.099 -84.391 1.00 64.36 O +ATOM 81 CG2 THR A 12 34.446 -9.696 -82.155 1.00 64.17 C +ATOM 82 N GLY A 13 34.786 -13.139 -82.157 1.00 62.75 N +ATOM 83 CA GLY A 13 34.181 -14.192 -81.350 1.00 62.94 C +ATOM 84 C GLY A 13 32.871 -13.741 -80.689 1.00 62.84 C +ATOM 85 O GLY A 13 32.695 -12.545 -80.430 1.00 60.67 O +ATOM 86 N PRO A 14 31.951 -14.662 -80.397 1.00 62.95 N +ATOM 87 CA PRO A 14 30.692 -14.341 -79.750 1.00 64.70 C +ATOM 88 C PRO A 14 30.930 -13.710 -78.366 1.00 61.93 C +ATOM 89 O PRO A 14 31.891 -14.043 -77.673 1.00 60.45 O +ATOM 90 CB PRO A 14 29.919 -15.657 -79.661 1.00 64.44 C +ATOM 91 CG PRO A 14 31.012 -16.713 -79.653 1.00 62.93 C +ATOM 92 CD PRO A 14 32.090 -16.109 -80.558 1.00 64.64 C +ATOM 93 N THR A 15 30.019 -12.836 -77.952 1.00 67.66 N +ATOM 94 CA THR A 15 30.025 -12.240 -76.608 1.00 68.44 C +ATOM 95 C THR A 15 29.960 -13.339 -75.554 1.00 65.58 C +ATOM 96 O THR A 15 29.139 -14.250 -75.656 1.00 62.09 O +ATOM 97 CB THR A 15 28.843 -11.276 -76.433 1.00 66.77 C +ATOM 98 OG1 THR A 15 28.816 -10.345 -77.500 1.00 62.15 O +ATOM 99 CG2 THR A 15 28.890 -10.485 -75.137 1.00 62.47 C +ATOM 100 N GLY A 16 30.807 -13.257 -74.538 1.00 61.26 N +ATOM 101 CA GLY A 16 30.797 -14.206 -73.427 1.00 61.42 C +ATOM 102 C GLY A 16 29.447 -14.233 -72.696 1.00 61.50 C +ATOM 103 O GLY A 16 28.741 -13.222 -72.667 1.00 59.47 O +ATOM 104 N PRO A 17 29.073 -15.363 -72.075 1.00 61.98 N +ATOM 105 CA PRO A 17 27.834 -15.472 -71.320 1.00 63.60 C +ATOM 106 C PRO A 17 27.827 -14.491 -70.132 1.00 61.15 C +ATOM 107 O PRO A 17 28.880 -14.153 -69.584 1.00 59.98 O +ATOM 108 CB PRO A 17 27.753 -16.931 -70.863 1.00 63.71 C +ATOM 109 CG PRO A 17 29.214 -17.371 -70.812 1.00 62.22 C +ATOM 110 CD PRO A 17 29.850 -16.595 -71.968 1.00 64.16 C +ATOM 111 N ALA A 18 26.635 -14.068 -69.704 1.00 65.68 N +ATOM 112 CA ALA A 18 26.483 -13.245 -68.509 1.00 67.32 C +ATOM 113 C ALA A 18 27.049 -13.948 -67.268 1.00 65.96 C +ATOM 114 O ALA A 18 26.918 -15.165 -67.116 1.00 62.81 O +ATOM 115 CB ALA A 18 24.999 -12.890 -68.318 1.00 65.56 C +ATOM 116 N GLY A 19 27.673 -13.176 -66.394 1.00 60.06 N +ATOM 117 CA GLY A 19 28.201 -13.687 -65.137 1.00 60.95 C +ATOM 118 C GLY A 19 27.106 -14.297 -64.248 1.00 61.82 C +ATOM 119 O GLY A 19 25.934 -13.938 -64.368 1.00 59.92 O +ATOM 120 N PRO A 20 27.464 -15.218 -63.355 1.00 61.69 N +ATOM 121 CA PRO A 20 26.512 -15.808 -62.425 1.00 63.76 C +ATOM 122 C PRO A 20 25.878 -14.741 -61.530 1.00 62.88 C +ATOM 123 O PRO A 20 26.494 -13.718 -61.220 1.00 61.49 O +ATOM 124 CB PRO A 20 27.304 -16.845 -61.621 1.00 63.05 C +ATOM 125 CG PRO A 20 28.728 -16.312 -61.663 1.00 60.93 C +ATOM 126 CD PRO A 20 28.821 -15.665 -63.046 1.00 62.42 C +ATOM 127 N ARG A 21 24.623 -14.978 -61.070 1.00 61.66 N +ATOM 128 CA ARG A 21 23.931 -14.113 -60.108 1.00 65.16 C +ATOM 129 C ARG A 21 24.726 -14.029 -58.806 1.00 63.39 C +ATOM 130 O ARG A 21 25.249 -15.035 -58.331 1.00 60.38 O +ATOM 131 CB ARG A 21 22.509 -14.636 -59.893 1.00 63.76 C +ATOM 132 CG ARG A 21 21.632 -13.642 -59.110 1.00 59.66 C +ATOM 133 CD ARG A 21 20.199 -14.173 -59.009 1.00 60.27 C +ATOM 134 NE ARG A 21 19.309 -13.183 -58.365 1.00 57.63 N +ATOM 135 CZ ARG A 21 18.036 -13.339 -58.065 1.00 51.53 C +ATOM 136 NH1 ARG A 21 17.408 -14.456 -58.306 1.00 51.43 N +ATOM 137 NH2 ARG A 21 17.364 -12.379 -57.513 1.00 50.01 N +ATOM 138 N GLY A 22 24.813 -12.826 -58.223 1.00 58.76 N +ATOM 139 CA GLY A 22 25.428 -12.615 -56.919 1.00 58.96 C +ATOM 140 C GLY A 22 24.733 -13.425 -55.815 1.00 59.60 C +ATOM 141 O GLY A 22 23.548 -13.743 -55.915 1.00 57.25 O +ATOM 142 N LEU A 23 25.498 -13.760 -54.773 1.00 59.92 N +ATOM 143 CA LEU A 23 24.952 -14.458 -53.601 1.00 63.05 C +ATOM 144 C LEU A 23 23.927 -13.571 -52.882 1.00 63.12 C +ATOM 145 O LEU A 23 24.051 -12.350 -52.875 1.00 61.38 O +ATOM 146 CB LEU A 23 26.093 -14.870 -52.644 1.00 61.43 C +ATOM 147 CG LEU A 23 27.091 -15.892 -53.231 1.00 57.44 C +ATOM 148 CD1 LEU A 23 28.227 -16.142 -52.243 1.00 55.34 C +ATOM 149 CD2 LEU A 23 26.434 -17.235 -53.554 1.00 53.95 C +ATOM 150 N GLN A 24 22.929 -14.211 -52.266 1.00 62.21 N +ATOM 151 CA GLN A 24 21.963 -13.519 -51.426 1.00 65.31 C +ATOM 152 C GLN A 24 22.675 -12.815 -50.259 1.00 63.15 C +ATOM 153 O GLN A 24 23.609 -13.372 -49.681 1.00 59.98 O +ATOM 154 CB GLN A 24 20.912 -14.527 -50.940 1.00 64.77 C +ATOM 155 CG GLN A 24 19.729 -13.876 -50.190 1.00 61.84 C +ATOM 156 CD GLN A 24 18.611 -14.868 -49.869 1.00 60.51 C +ATOM 157 OE1 GLN A 24 18.688 -16.047 -50.168 1.00 58.96 O +ATOM 158 NE2 GLN A 24 17.527 -14.425 -49.260 1.00 54.39 N +ATOM 159 N GLY A 25 22.236 -11.587 -49.927 1.00 57.04 N +ATOM 160 CA GLY A 25 22.743 -10.840 -48.779 1.00 57.12 C +ATOM 161 C GLY A 25 22.483 -11.584 -47.465 1.00 57.64 C +ATOM 162 O GLY A 25 21.513 -12.327 -47.336 1.00 55.51 O +ATOM 163 N LEU A 26 23.367 -11.374 -46.503 1.00 59.84 N +ATOM 164 CA LEU A 26 23.201 -11.946 -45.163 1.00 63.07 C +ATOM 165 C LEU A 26 21.941 -11.378 -44.495 1.00 63.21 C +ATOM 166 O LEU A 26 21.611 -10.203 -44.658 1.00 61.54 O +ATOM 167 CB LEU A 26 24.449 -11.675 -44.298 1.00 61.23 C +ATOM 168 CG LEU A 26 25.742 -12.359 -44.794 1.00 57.03 C +ATOM 169 CD1 LEU A 26 26.929 -11.932 -43.923 1.00 54.78 C +ATOM 170 CD2 LEU A 26 25.653 -13.888 -44.745 1.00 53.39 C +ATOM 171 N GLN A 27 21.264 -12.208 -43.690 1.00 64.12 N +ATOM 172 CA GLN A 27 20.124 -11.792 -42.882 1.00 67.02 C +ATOM 173 C GLN A 27 20.528 -10.679 -41.910 1.00 65.48 C +ATOM 174 O GLN A 27 21.595 -10.740 -41.292 1.00 61.96 O +ATOM 175 CB GLN A 27 19.557 -13.019 -42.172 1.00 65.41 C +ATOM 176 CG GLN A 27 18.226 -12.715 -41.464 1.00 61.67 C +ATOM 177 CD GLN A 27 17.553 -13.966 -40.900 1.00 59.88 C +ATOM 178 OE1 GLN A 27 18.167 -14.989 -40.663 1.00 58.11 O +ATOM 179 NE2 GLN A 27 16.269 -13.914 -40.652 1.00 53.95 N +ATOM 180 N GLY A 28 19.675 -9.662 -41.753 1.00 57.72 N +ATOM 181 CA GLY A 28 19.879 -8.592 -40.781 1.00 58.11 C +ATOM 182 C GLY A 28 19.926 -9.130 -39.346 1.00 59.44 C +ATOM 183 O GLY A 28 19.252 -10.094 -39.001 1.00 57.52 O +ATOM 184 N LEU A 29 20.727 -8.483 -38.495 1.00 61.20 N +ATOM 185 CA LEU A 29 20.793 -8.830 -37.072 1.00 64.18 C +ATOM 186 C LEU A 29 19.440 -8.563 -36.392 1.00 65.03 C +ATOM 187 O LEU A 29 18.733 -7.610 -36.725 1.00 63.38 O +ATOM 188 CB LEU A 29 21.921 -8.054 -36.378 1.00 62.05 C +ATOM 189 CG LEU A 29 23.350 -8.397 -36.867 1.00 57.88 C +ATOM 190 CD1 LEU A 29 24.365 -7.503 -36.174 1.00 55.48 C +ATOM 191 CD2 LEU A 29 23.720 -9.851 -36.596 1.00 54.21 C +ATOM 192 N GLN A 30 19.104 -9.380 -35.401 1.00 65.80 N +ATOM 193 CA GLN A 30 17.920 -9.186 -34.585 1.00 69.24 C +ATOM 194 C GLN A 30 17.992 -7.847 -33.832 1.00 68.07 C +ATOM 195 O GLN A 30 19.049 -7.482 -33.319 1.00 64.66 O +ATOM 196 CB GLN A 30 17.778 -10.386 -33.635 1.00 66.75 C +ATOM 197 CG GLN A 30 16.438 -10.383 -32.879 1.00 62.06 C +ATOM 198 CD GLN A 30 16.194 -11.667 -32.106 1.00 59.54 C +ATOM 199 OE1 GLN A 30 17.075 -12.450 -31.814 1.00 58.14 O +ATOM 200 NE2 GLN A 30 14.966 -11.926 -31.709 1.00 54.50 N +ATOM 201 N GLY A 31 16.868 -7.129 -33.747 1.00 60.00 N +ATOM 202 CA GLY A 31 16.768 -5.892 -32.976 1.00 60.40 C +ATOM 203 C GLY A 31 17.062 -6.114 -31.488 1.00 62.83 C +ATOM 204 O GLY A 31 16.749 -7.160 -30.919 1.00 60.77 O +ATOM 205 N GLU A 32 17.661 -5.094 -30.852 1.00 59.31 N +ATOM 206 CA GLU A 32 17.928 -5.126 -29.412 1.00 64.13 C +ATOM 207 C GLU A 32 16.619 -5.168 -28.605 1.00 64.24 C +ATOM 208 O GLU A 32 15.581 -4.635 -29.006 1.00 63.47 O +ATOM 209 CB GLU A 32 18.789 -3.930 -28.989 1.00 62.12 C +ATOM 210 CG GLU A 32 20.218 -4.010 -29.586 1.00 57.13 C +ATOM 211 CD GLU A 32 21.132 -2.845 -29.161 1.00 54.16 C +ATOM 212 OE1 GLU A 32 22.358 -2.993 -29.351 1.00 51.79 O +ATOM 213 OE2 GLU A 32 20.604 -1.810 -28.718 1.00 49.85 O +ATOM 214 N ARG A 33 16.670 -5.815 -27.440 1.00 63.09 N +ATOM 215 CA ARG A 33 15.531 -5.882 -26.521 1.00 66.97 C +ATOM 216 C ARG A 33 15.235 -4.492 -25.949 1.00 65.66 C +ATOM 217 O ARG A 33 16.161 -3.782 -25.561 1.00 62.47 O +ATOM 218 CB ARG A 33 15.836 -6.913 -25.424 1.00 64.84 C +ATOM 219 CG ARG A 33 14.605 -7.242 -24.577 1.00 59.73 C +ATOM 220 CD ARG A 33 14.928 -8.398 -23.635 1.00 60.17 C +ATOM 221 NE ARG A 33 13.723 -8.869 -22.921 1.00 57.92 N +ATOM 222 CZ ARG A 33 13.688 -9.715 -21.910 1.00 53.01 C +ATOM 223 NH1 ARG A 33 14.766 -10.245 -21.421 1.00 52.37 N +ATOM 224 NH2 ARG A 33 12.549 -10.034 -21.370 1.00 51.52 N +ATOM 225 N GLY A 34 13.954 -4.112 -25.860 1.00 57.98 N +ATOM 226 CA GLY A 34 13.537 -2.850 -25.250 1.00 58.25 C +ATOM 227 C GLY A 34 13.958 -2.736 -23.786 1.00 60.32 C +ATOM 228 O GLY A 34 14.040 -3.731 -23.060 1.00 58.43 O +ATOM 229 N GLU A 35 14.229 -1.495 -23.345 1.00 57.19 N +ATOM 230 CA GLU A 35 14.559 -1.210 -21.946 1.00 61.88 C +ATOM 231 C GLU A 35 13.370 -1.504 -21.024 1.00 61.53 C +ATOM 232 O GLU A 35 12.203 -1.373 -21.388 1.00 60.58 O +ATOM 233 CB GLU A 35 15.038 0.238 -21.770 1.00 60.29 C +ATOM 234 CG GLU A 35 16.396 0.503 -22.456 1.00 55.51 C +ATOM 235 CD GLU A 35 16.943 1.926 -22.213 1.00 52.96 C +ATOM 236 OE1 GLU A 35 18.100 2.174 -22.614 1.00 50.46 O +ATOM 237 OE2 GLU A 35 16.205 2.762 -21.638 1.00 48.35 O +ATOM 238 N GLN A 36 13.668 -1.905 -19.793 1.00 58.85 N +ATOM 239 CA GLN A 36 12.643 -2.163 -18.788 1.00 61.29 C +ATOM 240 C GLN A 36 12.002 -0.855 -18.319 1.00 59.88 C +ATOM 241 O GLN A 36 12.709 0.100 -18.033 1.00 57.42 O +ATOM 242 CB GLN A 36 13.274 -2.957 -17.637 1.00 60.83 C +ATOM 243 CG GLN A 36 12.220 -3.429 -16.632 1.00 57.57 C +ATOM 244 CD GLN A 36 12.733 -4.511 -15.693 1.00 55.86 C +ATOM 245 OE1 GLN A 36 13.918 -4.752 -15.522 1.00 56.74 O +ATOM 246 NE2 GLN A 36 11.854 -5.218 -15.025 1.00 52.80 N +ATOM 247 N GLY A 37 10.670 -0.831 -18.184 1.00 54.99 N +ATOM 248 CA GLY A 37 9.945 0.331 -17.676 1.00 55.55 C +ATOM 249 C GLY A 37 10.345 0.702 -16.241 1.00 56.01 C +ATOM 250 O GLY A 37 10.752 -0.160 -15.460 1.00 54.61 O +ATOM 251 N PRO A 38 10.214 2.000 -15.869 1.00 54.97 N +ATOM 252 CA PRO A 38 10.519 2.456 -14.520 1.00 56.91 C +ATOM 253 C PRO A 38 9.567 1.840 -13.487 1.00 55.63 C +ATOM 254 O PRO A 38 8.416 1.524 -13.774 1.00 55.23 O +ATOM 255 CB PRO A 38 10.417 3.983 -14.567 1.00 56.70 C +ATOM 256 CG PRO A 38 9.410 4.233 -15.685 1.00 54.65 C +ATOM 257 CD PRO A 38 9.717 3.099 -16.677 1.00 55.79 C +ATOM 258 N THR A 39 10.044 1.714 -12.238 1.00 56.57 N +ATOM 259 CA THR A 39 9.204 1.299 -11.110 1.00 57.64 C +ATOM 260 C THR A 39 8.174 2.391 -10.794 1.00 56.07 C +ATOM 261 O THR A 39 8.528 3.567 -10.751 1.00 54.62 O +ATOM 262 CB THR A 39 10.066 1.009 -9.879 1.00 57.27 C +ATOM 263 OG1 THR A 39 11.073 0.070 -10.192 1.00 53.64 O +ATOM 264 CG2 THR A 39 9.270 0.409 -8.724 1.00 53.53 C +ATOM 265 N GLY A 40 6.915 2.006 -10.553 1.00 52.26 N +ATOM 266 CA GLY A 40 5.868 2.941 -10.138 1.00 53.32 C +ATOM 267 C GLY A 40 6.180 3.616 -8.794 1.00 53.74 C +ATOM 268 O GLY A 40 6.868 3.042 -7.949 1.00 52.73 O +ATOM 269 N PRO A 41 5.670 4.859 -8.568 1.00 55.48 N +ATOM 270 CA PRO A 41 5.841 5.557 -7.302 1.00 57.53 C +ATOM 271 C PRO A 41 5.124 4.831 -6.163 1.00 56.57 C +ATOM 272 O PRO A 41 4.126 4.139 -6.374 1.00 56.13 O +ATOM 273 CB PRO A 41 5.288 6.962 -7.537 1.00 57.13 C +ATOM 274 CG PRO A 41 4.224 6.750 -8.617 1.00 55.11 C +ATOM 275 CD PRO A 41 4.830 5.637 -9.473 1.00 56.04 C +ATOM 276 N ALA A 42 5.602 5.030 -4.921 1.00 57.07 N +ATOM 277 CA ALA A 42 4.901 4.549 -3.736 1.00 58.90 C +ATOM 278 C ALA A 42 3.533 5.242 -3.587 1.00 58.85 C +ATOM 279 O ALA A 42 3.393 6.431 -3.871 1.00 57.16 O +ATOM 280 CB ALA A 42 5.786 4.763 -2.500 1.00 57.74 C +ATOM 281 N GLY A 43 2.529 4.491 -3.113 1.00 53.65 N +ATOM 282 CA GLY A 43 1.215 5.046 -2.802 1.00 55.56 C +ATOM 283 C GLY A 43 1.271 6.104 -1.696 1.00 56.50 C +ATOM 284 O GLY A 43 2.172 6.079 -0.851 1.00 55.46 O +ATOM 285 N PRO A 44 0.305 7.059 -1.679 1.00 56.06 N +ATOM 286 CA PRO A 44 0.230 8.065 -0.635 1.00 58.79 C +ATOM 287 C PRO A 44 -0.030 7.429 0.743 1.00 58.39 C +ATOM 288 O PRO A 44 -0.658 6.380 0.852 1.00 57.73 O +ATOM 289 CB PRO A 44 -0.903 9.011 -1.054 1.00 58.14 C +ATOM 290 CG PRO A 44 -1.817 8.114 -1.885 1.00 55.69 C +ATOM 291 CD PRO A 44 -0.832 7.165 -2.581 1.00 56.64 C +ATOM 292 N ARG A 45 0.432 8.103 1.802 1.00 54.85 N +ATOM 293 CA ARG A 45 0.159 7.692 3.180 1.00 58.77 C +ATOM 294 C ARG A 45 -1.338 7.810 3.491 1.00 57.47 C +ATOM 295 O ARG A 45 -1.956 8.809 3.123 1.00 55.81 O +ATOM 296 CB ARG A 45 1.020 8.522 4.133 1.00 58.38 C +ATOM 297 CG ARG A 45 1.041 7.932 5.545 1.00 54.38 C +ATOM 298 CD ARG A 45 1.998 8.724 6.438 1.00 54.59 C +ATOM 299 NE ARG A 45 2.201 8.046 7.725 1.00 52.75 N +ATOM 300 CZ ARG A 45 2.974 8.454 8.714 1.00 46.85 C +ATOM 301 NH1 ARG A 45 3.624 9.584 8.663 1.00 47.61 N +ATOM 302 NH2 ARG A 45 3.104 7.726 9.789 1.00 46.02 N +ATOM 303 N GLY A 46 -1.891 6.820 4.195 1.00 54.37 N +ATOM 304 CA GLY A 46 -3.278 6.863 4.664 1.00 55.66 C +ATOM 305 C GLY A 46 -3.546 8.052 5.594 1.00 56.60 C +ATOM 306 O GLY A 46 -2.649 8.530 6.298 1.00 54.83 O +ATOM 307 N LEU A 47 -4.798 8.547 5.571 1.00 54.94 N +ATOM 308 CA LEU A 47 -5.228 9.620 6.460 1.00 58.55 C +ATOM 309 C LEU A 47 -5.304 9.122 7.919 1.00 57.82 C +ATOM 310 O LEU A 47 -5.590 7.946 8.148 1.00 56.73 O +ATOM 311 CB LEU A 47 -6.580 10.199 6.003 1.00 57.24 C +ATOM 312 CG LEU A 47 -6.548 10.913 4.634 1.00 54.26 C +ATOM 313 CD1 LEU A 47 -7.959 11.366 4.242 1.00 52.82 C +ATOM 314 CD2 LEU A 47 -5.640 12.143 4.636 1.00 51.32 C +ATOM 315 N PRO A 48 -5.061 10.001 8.911 1.00 58.74 N +ATOM 316 CA PRO A 48 -5.285 9.661 10.310 1.00 60.84 C +ATOM 317 C PRO A 48 -6.737 9.228 10.558 1.00 59.67 C +ATOM 318 O PRO A 48 -7.650 9.848 10.023 1.00 58.97 O +ATOM 319 CB PRO A 48 -4.954 10.927 11.113 1.00 60.80 C +ATOM 320 CG PRO A 48 -4.041 11.722 10.191 1.00 56.78 C +ATOM 321 CD PRO A 48 -4.541 11.371 8.801 1.00 58.70 C +ATOM 322 N GLY A 49 -6.935 8.221 11.412 1.00 54.86 N +ATOM 323 CA GLY A 49 -8.274 7.833 11.862 1.00 56.79 C +ATOM 324 C GLY A 49 -8.992 8.964 12.614 1.00 58.43 C +ATOM 325 O GLY A 49 -8.361 9.818 13.237 1.00 56.95 O +ATOM 326 N GLU A 50 -10.344 8.961 12.528 1.00 51.31 N +ATOM 327 CA GLU A 50 -11.179 9.903 13.281 1.00 55.90 C +ATOM 328 C GLU A 50 -11.016 9.674 14.793 1.00 55.51 C +ATOM 329 O GLU A 50 -10.731 8.575 15.263 1.00 55.25 O +ATOM 330 CB GLU A 50 -12.656 9.820 12.843 1.00 55.10 C +ATOM 331 CG GLU A 50 -12.878 10.304 11.388 1.00 51.06 C +ATOM 332 CD GLU A 50 -14.362 10.368 10.951 1.00 48.12 C +ATOM 333 OE1 GLU A 50 -14.628 11.086 9.962 1.00 46.64 O +ATOM 334 OE2 GLU A 50 -15.242 9.701 11.539 1.00 45.54 O +ATOM 335 N ARG A 51 -11.176 10.752 15.563 1.00 58.66 N +ATOM 336 CA ARG A 51 -11.175 10.643 17.031 1.00 61.38 C +ATOM 337 C ARG A 51 -12.415 9.881 17.483 1.00 59.75 C +ATOM 338 O ARG A 51 -13.507 10.198 17.029 1.00 57.89 O +ATOM 339 CB ARG A 51 -11.097 12.049 17.633 1.00 60.13 C +ATOM 340 CG ARG A 51 -10.909 12.021 19.158 1.00 55.36 C +ATOM 341 CD ARG A 51 -10.799 13.448 19.691 1.00 55.49 C +ATOM 342 NE ARG A 51 -10.511 13.468 21.132 1.00 54.42 N +ATOM 343 CZ ARG A 51 -10.414 14.535 21.909 1.00 49.20 C +ATOM 344 NH1 ARG A 51 -10.597 15.746 21.447 1.00 49.98 N +ATOM 345 NH2 ARG A 51 -10.132 14.404 23.172 1.00 48.27 N +ATOM 346 N GLY A 52 -12.242 8.928 18.403 1.00 55.77 N +ATOM 347 CA GLY A 52 -13.374 8.209 18.992 1.00 56.65 C +ATOM 348 C GLY A 52 -14.376 9.155 19.674 1.00 58.00 C +ATOM 349 O GLY A 52 -13.990 10.192 20.224 1.00 56.25 O +ATOM 350 N GLU A 53 -15.674 8.794 19.603 1.00 51.16 N +ATOM 351 CA GLU A 53 -16.739 9.543 20.281 1.00 54.59 C +ATOM 352 C GLU A 53 -16.542 9.494 21.806 1.00 53.51 C +ATOM 353 O GLU A 53 -16.051 8.521 22.378 1.00 53.33 O +ATOM 354 CB GLU A 53 -18.142 9.012 19.901 1.00 54.41 C +ATOM 355 CG GLU A 53 -18.519 9.292 18.423 1.00 50.57 C +ATOM 356 CD GLU A 53 -19.955 8.849 18.043 1.00 48.60 C +ATOM 357 OE1 GLU A 53 -20.456 9.315 17.005 1.00 47.19 O +ATOM 358 OE2 GLU A 53 -20.573 8.015 18.761 1.00 45.90 O +ATOM 359 N GLN A 54 -16.923 10.586 22.477 1.00 55.58 N +ATOM 360 CA GLN A 54 -16.899 10.621 23.933 1.00 57.27 C +ATOM 361 C GLN A 54 -17.922 9.620 24.497 1.00 56.06 C +ATOM 362 O GLN A 54 -19.067 9.595 24.065 1.00 54.37 O +ATOM 363 CB GLN A 54 -17.166 12.061 24.401 1.00 56.68 C +ATOM 364 CG GLN A 54 -17.044 12.218 25.920 1.00 52.43 C +ATOM 365 CD GLN A 54 -17.158 13.675 26.382 1.00 50.67 C +ATOM 366 OE1 GLN A 54 -17.305 14.608 25.616 1.00 50.91 O +ATOM 367 NE2 GLN A 54 -17.074 13.920 27.662 1.00 47.00 N +ATOM 368 N GLY A 55 -17.499 8.816 25.451 1.00 51.06 N +ATOM 369 CA GLY A 55 -18.402 7.872 26.113 1.00 51.99 C +ATOM 370 C GLY A 55 -19.588 8.583 26.801 1.00 52.30 C +ATOM 371 O GLY A 55 -19.437 9.716 27.265 1.00 50.88 O +ATOM 372 N PRO A 56 -20.771 7.926 26.867 1.00 49.88 N +ATOM 373 CA PRO A 56 -21.934 8.502 27.537 1.00 52.21 C +ATOM 374 C PRO A 56 -21.643 8.761 29.020 1.00 50.94 C +ATOM 375 O PRO A 56 -20.933 8.001 29.681 1.00 50.90 O +ATOM 376 CB PRO A 56 -23.076 7.498 27.322 1.00 52.94 C +ATOM 377 CG PRO A 56 -22.352 6.168 27.126 1.00 52.32 C +ATOM 378 CD PRO A 56 -21.059 6.575 26.404 1.00 54.84 C +ATOM 379 N THR A 57 -22.219 9.845 29.535 1.00 49.75 N +ATOM 380 CA THR A 57 -22.112 10.176 30.963 1.00 51.42 C +ATOM 381 C THR A 57 -22.788 9.091 31.806 1.00 50.08 C +ATOM 382 O THR A 57 -23.969 8.806 31.619 1.00 49.25 O +ATOM 383 CB THR A 57 -22.739 11.548 31.260 1.00 51.73 C +ATOM 384 OG1 THR A 57 -22.209 12.520 30.387 1.00 48.11 O +ATOM 385 CG2 THR A 57 -22.484 12.037 32.680 1.00 48.44 C +ATOM 386 N GLY A 58 -22.055 8.493 32.722 1.00 45.75 N +ATOM 387 CA GLY A 58 -22.630 7.549 33.686 1.00 46.57 C +ATOM 388 C GLY A 58 -23.659 8.227 34.599 1.00 47.35 C +ATOM 389 O GLY A 58 -23.482 9.379 34.986 1.00 45.97 O +ATOM 390 N LEU A 59 -24.741 7.501 34.929 1.00 46.87 N +ATOM 391 CA LEU A 59 -25.834 8.038 35.758 1.00 49.35 C +ATOM 392 C LEU A 59 -25.421 8.379 37.215 1.00 48.42 C +ATOM 393 O LEU A 59 -26.201 9.012 37.916 1.00 48.28 O +ATOM 394 CB LEU A 59 -27.038 7.074 35.693 1.00 49.26 C +ATOM 395 CG LEU A 59 -27.899 7.264 34.429 1.00 47.57 C +ATOM 396 CD1 LEU A 59 -28.764 6.033 34.172 1.00 46.71 C +ATOM 397 CD2 LEU A 59 -28.824 8.475 34.544 1.00 45.75 C +ATOM 398 N ALA A 60 -24.211 8.016 37.634 1.00 52.53 N +ATOM 399 CA ALA A 60 -23.564 8.503 38.847 1.00 54.17 C +ATOM 400 C ALA A 60 -22.040 8.312 38.715 1.00 53.29 C +ATOM 401 O ALA A 60 -21.513 7.262 39.046 1.00 51.97 O +ATOM 402 CB ALA A 60 -24.143 7.747 40.063 1.00 53.38 C +ATOM 403 N GLY A 61 -21.335 9.322 38.179 1.00 48.69 N +ATOM 404 CA GLY A 61 -19.876 9.283 38.017 1.00 49.96 C +ATOM 405 C GLY A 61 -19.423 10.221 36.897 1.00 50.41 C +ATOM 406 O GLY A 61 -20.191 10.533 35.991 1.00 49.33 O +ATOM 407 N LYS A 62 -18.189 10.719 36.976 1.00 51.64 N +ATOM 408 CA LYS A 62 -17.635 11.642 35.975 1.00 53.87 C +ATOM 409 C LYS A 62 -17.751 11.047 34.565 1.00 52.32 C +ATOM 410 O LYS A 62 -17.557 9.850 34.385 1.00 52.00 O +ATOM 411 CB LYS A 62 -16.166 11.963 36.295 1.00 53.17 C +ATOM 412 CG LYS A 62 -15.981 12.789 37.577 1.00 50.14 C +ATOM 413 CD LYS A 62 -14.494 13.069 37.817 1.00 49.28 C +ATOM 414 CE LYS A 62 -14.276 13.898 39.086 1.00 47.07 C +ATOM 415 NZ LYS A 62 -12.836 14.128 39.344 1.00 42.83 N +ATOM 416 N ALA A 63 -18.014 11.896 33.565 1.00 53.51 N +ATOM 417 CA ALA A 63 -18.024 11.484 32.162 1.00 54.93 C +ATOM 418 C ALA A 63 -16.715 10.756 31.812 1.00 55.02 C +ATOM 419 O ALA A 63 -15.636 11.216 32.194 1.00 53.76 O +ATOM 420 CB ALA A 63 -18.227 12.720 31.273 1.00 53.89 C +ATOM 421 N GLY A 64 -16.823 9.636 31.069 1.00 51.25 N +ATOM 422 CA GLY A 64 -15.654 8.915 30.584 1.00 52.52 C +ATOM 423 C GLY A 64 -14.762 9.818 29.723 1.00 53.68 C +ATOM 424 O GLY A 64 -15.254 10.712 29.030 1.00 52.30 O +ATOM 425 N GLU A 65 -13.450 9.607 29.791 1.00 51.68 N +ATOM 426 CA GLU A 65 -12.508 10.349 28.949 1.00 54.11 C +ATOM 427 C GLU A 65 -12.784 10.067 27.472 1.00 52.92 C +ATOM 428 O GLU A 65 -13.216 8.986 27.077 1.00 52.72 O +ATOM 429 CB GLU A 65 -11.049 10.047 29.332 1.00 54.21 C +ATOM 430 CG GLU A 65 -10.718 10.593 30.740 1.00 50.88 C +ATOM 431 CD GLU A 65 -9.226 10.509 31.097 1.00 49.10 C +ATOM 432 OE1 GLU A 65 -8.840 11.264 32.027 1.00 48.52 O +ATOM 433 OE2 GLU A 65 -8.493 9.735 30.455 1.00 46.59 O +ATOM 434 N ALA A 66 -12.574 11.088 26.622 1.00 60.45 N +ATOM 435 CA ALA A 66 -12.739 10.910 25.190 1.00 61.82 C +ATOM 436 C ALA A 66 -11.731 9.867 24.665 1.00 61.96 C +ATOM 437 O ALA A 66 -10.554 9.939 25.001 1.00 59.90 O +ATOM 438 CB ALA A 66 -12.555 12.260 24.485 1.00 60.26 C +ATOM 439 N GLY A 67 -12.196 8.974 23.794 1.00 57.18 N +ATOM 440 CA GLY A 67 -11.333 7.951 23.193 1.00 58.61 C +ATOM 441 C GLY A 67 -10.105 8.554 22.508 1.00 60.15 C +ATOM 442 O GLY A 67 -10.148 9.657 21.952 1.00 58.99 O +ATOM 443 N ALA A 68 -8.997 7.812 22.546 1.00 59.59 N +ATOM 444 CA ALA A 68 -7.751 8.222 21.914 1.00 61.80 C +ATOM 445 C ALA A 68 -7.938 8.423 20.397 1.00 61.98 C +ATOM 446 O ALA A 68 -8.754 7.785 19.744 1.00 60.90 O +ATOM 447 CB ALA A 68 -6.649 7.202 22.240 1.00 60.09 C +ATOM 448 N LYS A 69 -7.152 9.354 19.799 1.00 62.91 N +ATOM 449 CA LYS A 69 -7.141 9.550 18.347 1.00 66.82 C +ATOM 450 C LYS A 69 -6.598 8.286 17.677 1.00 66.40 C +ATOM 451 O LYS A 69 -5.538 7.810 18.067 1.00 64.97 O +ATOM 452 CB LYS A 69 -6.303 10.788 18.013 1.00 64.47 C +ATOM 453 CG LYS A 69 -6.341 11.136 16.517 1.00 59.52 C +ATOM 454 CD LYS A 69 -5.543 12.419 16.241 1.00 59.54 C +ATOM 455 CE LYS A 69 -5.622 12.754 14.759 1.00 57.12 C +ATOM 456 NZ LYS A 69 -4.853 13.982 14.429 1.00 51.44 N +ATOM 457 N GLY A 70 -7.287 7.797 16.649 1.00 59.45 N +ATOM 458 CA GLY A 70 -6.823 6.640 15.868 1.00 60.20 C +ATOM 459 C GLY A 70 -5.429 6.856 15.278 1.00 61.98 C +ATOM 460 O GLY A 70 -5.052 7.977 14.915 1.00 60.60 O +ATOM 461 N GLU A 71 -4.662 5.778 15.185 1.00 56.09 N +ATOM 462 CA GLU A 71 -3.325 5.792 14.587 1.00 59.04 C +ATOM 463 C GLU A 71 -3.397 6.139 13.094 1.00 58.06 C +ATOM 464 O GLU A 71 -4.376 5.881 12.399 1.00 57.48 O +ATOM 465 CB GLU A 71 -2.614 4.450 14.825 1.00 58.31 C +ATOM 466 CG GLU A 71 -2.221 4.249 16.305 1.00 55.12 C +ATOM 467 CD GLU A 71 -1.579 2.869 16.602 1.00 52.88 C +ATOM 468 OE1 GLU A 71 -1.416 2.530 17.798 1.00 52.17 O +ATOM 469 OE2 GLU A 71 -1.311 2.111 15.644 1.00 49.84 O +ATOM 470 N THR A 72 -2.327 6.780 12.575 1.00 65.25 N +ATOM 471 CA THR A 72 -2.240 7.063 11.140 1.00 65.92 C +ATOM 472 C THR A 72 -2.058 5.759 10.375 1.00 64.33 C +ATOM 473 O THR A 72 -1.157 4.991 10.703 1.00 61.80 O +ATOM 474 CB THR A 72 -1.066 8.016 10.844 1.00 65.12 C +ATOM 475 OG1 THR A 72 -1.194 9.206 11.590 1.00 61.15 O +ATOM 476 CG2 THR A 72 -0.982 8.427 9.377 1.00 60.75 C +ATOM 477 N GLY A 73 -2.867 5.533 9.334 1.00 59.95 N +ATOM 478 CA GLY A 73 -2.738 4.350 8.489 1.00 60.04 C +ATOM 479 C GLY A 73 -1.342 4.210 7.854 1.00 61.02 C +ATOM 480 O GLY A 73 -0.663 5.220 7.626 1.00 59.84 O +ATOM 481 N PRO A 74 -0.902 2.976 7.555 1.00 60.36 N +ATOM 482 CA PRO A 74 0.380 2.730 6.915 1.00 62.00 C +ATOM 483 C PRO A 74 0.432 3.358 5.513 1.00 60.85 C +ATOM 484 O PRO A 74 -0.590 3.615 4.875 1.00 60.04 O +ATOM 485 CB PRO A 74 0.540 1.201 6.878 1.00 61.82 C +ATOM 486 CG PRO A 74 -0.901 0.700 6.861 1.00 59.98 C +ATOM 487 CD PRO A 74 -1.629 1.727 7.732 1.00 62.25 C +ATOM 488 N ALA A 75 1.656 3.630 5.023 1.00 64.06 N +ATOM 489 CA ALA A 75 1.843 4.030 3.631 1.00 65.01 C +ATOM 490 C ALA A 75 1.436 2.880 2.699 1.00 64.79 C +ATOM 491 O ALA A 75 1.724 1.725 2.996 1.00 62.50 O +ATOM 492 CB ALA A 75 3.295 4.461 3.407 1.00 63.52 C +ATOM 493 N GLY A 76 0.779 3.208 1.571 1.00 59.87 N +ATOM 494 CA GLY A 76 0.439 2.208 0.559 1.00 60.75 C +ATOM 495 C GLY A 76 1.685 1.522 -0.002 1.00 62.12 C +ATOM 496 O GLY A 76 2.767 2.117 -0.017 1.00 61.44 O +ATOM 497 N PRO A 77 1.543 0.273 -0.493 1.00 62.67 N +ATOM 498 CA PRO A 77 2.645 -0.469 -1.084 1.00 64.69 C +ATOM 499 C PRO A 77 3.208 0.252 -2.315 1.00 64.77 C +ATOM 500 O PRO A 77 2.527 1.034 -2.987 1.00 64.46 O +ATOM 501 CB PRO A 77 2.080 -1.853 -1.423 1.00 63.76 C +ATOM 502 CG PRO A 77 0.591 -1.600 -1.611 1.00 61.20 C +ATOM 503 CD PRO A 77 0.301 -0.489 -0.598 1.00 63.06 C +ATOM 504 N GLN A 78 4.490 0.009 -2.614 1.00 62.72 N +ATOM 505 CA GLN A 78 5.101 0.504 -3.846 1.00 65.40 C +ATOM 506 C GLN A 78 4.470 -0.201 -5.045 1.00 65.28 C +ATOM 507 O GLN A 78 4.302 -1.416 -5.034 1.00 63.33 O +ATOM 508 CB GLN A 78 6.620 0.280 -3.769 1.00 64.04 C +ATOM 509 CG GLN A 78 7.355 0.911 -4.966 1.00 60.68 C +ATOM 510 CD GLN A 78 8.881 0.869 -4.833 1.00 59.09 C +ATOM 511 OE1 GLN A 78 9.458 0.256 -3.962 1.00 58.50 O +ATOM 512 NE2 GLN A 78 9.594 1.537 -5.697 1.00 54.01 N +ATOM 513 N GLY A 79 4.137 0.556 -6.101 1.00 63.05 N +ATOM 514 CA GLY A 79 3.598 -0.021 -7.333 1.00 63.79 C +ATOM 515 C GLY A 79 4.550 -1.039 -7.968 1.00 65.73 C +ATOM 516 O GLY A 79 5.769 -0.923 -7.817 1.00 65.02 O +ATOM 517 N PRO A 80 4.006 -2.036 -8.704 1.00 64.89 N +ATOM 518 CA PRO A 80 4.812 -3.060 -9.357 1.00 66.18 C +ATOM 519 C PRO A 80 5.778 -2.444 -10.376 1.00 66.66 C +ATOM 520 O PRO A 80 5.547 -1.369 -10.935 1.00 66.13 O +ATOM 521 CB PRO A 80 3.820 -4.036 -9.999 1.00 64.67 C +ATOM 522 CG PRO A 80 2.581 -3.176 -10.236 1.00 62.07 C +ATOM 523 CD PRO A 80 2.601 -2.216 -9.039 1.00 64.16 C +ATOM 524 N ARG A 81 6.888 -3.132 -10.622 1.00 64.06 N +ATOM 525 CA ARG A 81 7.842 -2.735 -11.662 1.00 67.35 C +ATOM 526 C ARG A 81 7.202 -2.909 -13.033 1.00 67.67 C +ATOM 527 O ARG A 81 6.601 -3.942 -13.286 1.00 65.75 O +ATOM 528 CB ARG A 81 9.130 -3.552 -11.510 1.00 65.30 C +ATOM 529 CG ARG A 81 10.251 -3.026 -12.419 1.00 60.73 C +ATOM 530 CD ARG A 81 11.550 -3.760 -12.105 1.00 60.71 C +ATOM 531 NE ARG A 81 12.688 -3.179 -12.845 1.00 58.70 N +ATOM 532 CZ ARG A 81 13.911 -3.658 -12.893 1.00 53.16 C +ATOM 533 NH1 ARG A 81 14.255 -4.745 -12.263 1.00 53.20 N +ATOM 534 NH2 ARG A 81 14.835 -3.049 -13.598 1.00 52.24 N +ATOM 535 N GLY A 82 7.363 -1.924 -13.915 1.00 63.68 N +ATOM 536 CA GLY A 82 6.862 -2.013 -15.280 1.00 63.99 C +ATOM 537 C GLY A 82 7.416 -3.238 -16.029 1.00 66.04 C +ATOM 538 O GLY A 82 8.577 -3.624 -15.823 1.00 64.98 O +ATOM 539 N GLU A 83 6.591 -3.819 -16.894 1.00 58.27 N +ATOM 540 CA GLU A 83 6.988 -4.958 -17.714 1.00 61.15 C +ATOM 541 C GLU A 83 8.106 -4.582 -18.689 1.00 60.41 C +ATOM 542 O GLU A 83 8.245 -3.441 -19.135 1.00 59.53 O +ATOM 543 CB GLU A 83 5.789 -5.538 -18.476 1.00 60.00 C +ATOM 544 CG GLU A 83 4.755 -6.178 -17.529 1.00 56.05 C +ATOM 545 CD GLU A 83 3.620 -6.901 -18.273 1.00 53.62 C +ATOM 546 OE1 GLU A 83 2.928 -7.702 -17.604 1.00 51.72 O +ATOM 547 OE2 GLU A 83 3.466 -6.652 -19.490 1.00 49.45 O +ATOM 548 N GLN A 84 8.940 -5.562 -19.007 1.00 60.57 N +ATOM 549 CA GLN A 84 9.991 -5.367 -19.988 1.00 62.38 C +ATOM 550 C GLN A 84 9.384 -5.269 -21.392 1.00 61.69 C +ATOM 551 O GLN A 84 8.559 -6.089 -21.759 1.00 59.73 O +ATOM 552 CB GLN A 84 11.008 -6.507 -19.859 1.00 61.46 C +ATOM 553 CG GLN A 84 12.241 -6.248 -20.740 1.00 58.16 C +ATOM 554 CD GLN A 84 13.441 -7.106 -20.356 1.00 56.40 C +ATOM 555 OE1 GLN A 84 13.369 -8.067 -19.608 1.00 56.68 O +ATOM 556 NE2 GLN A 84 14.617 -6.789 -20.853 1.00 52.69 N +ATOM 557 N GLY A 85 9.825 -4.281 -22.168 1.00 61.35 N +ATOM 558 CA GLY A 85 9.372 -4.130 -23.542 1.00 61.28 C +ATOM 559 C GLY A 85 9.647 -5.379 -24.399 1.00 62.14 C +ATOM 560 O GLY A 85 10.620 -6.094 -24.149 1.00 60.87 O +ATOM 561 N PRO A 86 8.797 -5.632 -25.419 1.00 59.85 N +ATOM 562 CA PRO A 86 8.967 -6.771 -26.306 1.00 61.35 C +ATOM 563 C PRO A 86 10.302 -6.694 -27.052 1.00 60.68 C +ATOM 564 O PRO A 86 10.851 -5.617 -27.309 1.00 59.75 O +ATOM 565 CB PRO A 86 7.764 -6.747 -27.255 1.00 60.67 C +ATOM 566 CG PRO A 86 7.374 -5.271 -27.288 1.00 58.41 C +ATOM 567 CD PRO A 86 7.685 -4.811 -25.861 1.00 60.34 C +ATOM 568 N GLN A 87 10.838 -7.863 -27.413 1.00 57.72 N +ATOM 569 CA GLN A 87 12.035 -7.936 -28.243 1.00 60.23 C +ATOM 570 C GLN A 87 11.717 -7.438 -29.656 1.00 59.55 C +ATOM 571 O GLN A 87 10.681 -7.792 -30.216 1.00 57.72 O +ATOM 572 CB GLN A 87 12.548 -9.383 -28.233 1.00 59.54 C +ATOM 573 CG GLN A 87 13.911 -9.523 -28.924 1.00 55.75 C +ATOM 574 CD GLN A 87 14.573 -10.883 -28.676 1.00 54.19 C +ATOM 575 OE1 GLN A 87 13.992 -11.829 -28.187 1.00 53.59 O +ATOM 576 NE2 GLN A 87 15.835 -11.027 -29.003 1.00 49.52 N +ATOM 577 N GLY A 88 12.601 -6.625 -30.221 1.00 59.02 N +ATOM 578 CA GLY A 88 12.458 -6.168 -31.602 1.00 59.11 C +ATOM 579 C GLY A 88 12.426 -7.343 -32.591 1.00 59.83 C +ATOM 580 O GLY A 88 13.082 -8.364 -32.377 1.00 58.68 O +ATOM 581 N LEU A 89 11.645 -7.172 -33.656 1.00 58.10 N +ATOM 582 CA LEU A 89 11.564 -8.182 -34.710 1.00 60.38 C +ATOM 583 C LEU A 89 12.919 -8.329 -35.428 1.00 59.50 C +ATOM 584 O LEU A 89 13.671 -7.347 -35.538 1.00 58.31 O +ATOM 585 CB LEU A 89 10.440 -7.823 -35.704 1.00 59.66 C +ATOM 586 CG LEU A 89 9.012 -7.858 -35.112 1.00 57.19 C +ATOM 587 CD1 LEU A 89 8.014 -7.383 -36.167 1.00 55.64 C +ATOM 588 CD2 LEU A 89 8.604 -9.253 -34.650 1.00 54.16 C +ATOM 589 N PRO A 90 13.234 -9.528 -35.939 1.00 59.40 N +ATOM 590 CA PRO A 90 14.387 -9.718 -36.803 1.00 60.54 C +ATOM 591 C PRO A 90 14.366 -8.750 -37.997 1.00 58.78 C +ATOM 592 O PRO A 90 13.313 -8.496 -38.575 1.00 57.99 O +ATOM 593 CB PRO A 90 14.330 -11.177 -37.271 1.00 60.87 C +ATOM 594 CG PRO A 90 13.510 -11.875 -36.189 1.00 58.01 C +ATOM 595 CD PRO A 90 12.538 -10.796 -35.745 1.00 60.49 C +ATOM 596 N GLY A 91 15.523 -8.234 -38.366 1.00 58.81 N +ATOM 597 CA GLY A 91 15.656 -7.452 -39.588 1.00 59.02 C +ATOM 598 C GLY A 91 15.280 -8.277 -40.825 1.00 59.88 C +ATOM 599 O GLY A 91 15.459 -9.496 -40.849 1.00 58.70 O +ATOM 600 N LYS A 92 14.756 -7.593 -41.853 1.00 57.55 N +ATOM 601 CA LYS A 92 14.425 -8.249 -43.128 1.00 60.82 C +ATOM 602 C LYS A 92 15.691 -8.805 -43.792 1.00 60.86 C +ATOM 603 O LYS A 92 16.768 -8.218 -43.675 1.00 60.08 O +ATOM 604 CB LYS A 92 13.699 -7.277 -44.077 1.00 59.48 C +ATOM 605 CG LYS A 92 12.317 -6.856 -43.547 1.00 55.37 C +ATOM 606 CD LYS A 92 11.648 -5.877 -44.525 1.00 53.74 C +ATOM 607 CE LYS A 92 10.300 -5.401 -43.958 1.00 50.87 C +ATOM 608 NZ LYS A 92 9.701 -4.349 -44.806 1.00 45.61 N +ATOM 609 N ASP A 93 15.517 -9.884 -44.508 1.00 59.41 N +ATOM 610 CA ASP A 93 16.600 -10.441 -45.312 1.00 61.37 C +ATOM 611 C ASP A 93 17.100 -9.411 -46.329 1.00 60.64 C +ATOM 612 O ASP A 93 16.317 -8.666 -46.925 1.00 58.60 O +ATOM 613 CB ASP A 93 16.143 -11.717 -46.036 1.00 59.92 C +ATOM 614 CG ASP A 93 15.806 -12.885 -45.108 1.00 56.85 C +ATOM 615 OD1 ASP A 93 16.239 -12.856 -43.933 1.00 54.71 O +ATOM 616 OD2 ASP A 93 15.131 -13.828 -45.594 1.00 53.46 O +ATOM 617 N GLY A 94 18.413 -9.376 -46.523 1.00 58.88 N +ATOM 618 CA GLY A 94 19.005 -8.534 -47.551 1.00 58.86 C +ATOM 619 C GLY A 94 18.528 -8.933 -48.949 1.00 59.31 C +ATOM 620 O GLY A 94 18.319 -10.115 -49.249 1.00 57.91 O +ATOM 621 N GLU A 95 18.370 -7.924 -49.813 1.00 54.57 N +ATOM 622 CA GLU A 95 18.034 -8.177 -51.211 1.00 57.12 C +ATOM 623 C GLU A 95 19.126 -9.017 -51.890 1.00 55.63 C +ATOM 624 O GLU A 95 20.322 -8.905 -51.593 1.00 55.16 O +ATOM 625 CB GLU A 95 17.780 -6.873 -51.979 1.00 57.19 C +ATOM 626 CG GLU A 95 16.511 -6.144 -51.464 1.00 53.55 C +ATOM 627 CD GLU A 95 16.124 -4.923 -52.319 1.00 51.43 C +ATOM 628 OE1 GLU A 95 14.960 -4.480 -52.174 1.00 50.10 O +ATOM 629 OE2 GLU A 95 16.969 -4.452 -53.112 1.00 48.36 O +ATOM 630 N ALA A 96 18.702 -9.877 -52.793 1.00 59.55 N +ATOM 631 CA ALA A 96 19.654 -10.650 -53.568 1.00 60.10 C +ATOM 632 C ALA A 96 20.545 -9.723 -54.411 1.00 58.19 C +ATOM 633 O ALA A 96 20.049 -8.805 -55.053 1.00 56.19 O +ATOM 634 CB ALA A 96 18.890 -11.658 -54.440 1.00 59.57 C +ATOM 635 N GLY A 97 21.826 -9.994 -54.411 1.00 56.19 N +ATOM 636 CA GLY A 97 22.768 -9.215 -55.209 1.00 56.23 C +ATOM 637 C GLY A 97 22.401 -9.209 -56.696 1.00 56.15 C +ATOM 638 O GLY A 97 21.921 -10.206 -57.236 1.00 54.85 O +ATOM 639 N ALA A 98 22.658 -8.072 -57.338 1.00 57.04 N +ATOM 640 CA ALA A 98 22.439 -7.935 -58.772 1.00 58.95 C +ATOM 641 C ALA A 98 23.284 -8.958 -59.560 1.00 57.84 C +ATOM 642 O ALA A 98 24.377 -9.352 -59.144 1.00 56.82 O +ATOM 643 CB ALA A 98 22.734 -6.489 -59.196 1.00 58.38 C +ATOM 644 N GLN A 99 22.748 -9.378 -60.693 1.00 54.52 N +ATOM 645 CA GLN A 99 23.517 -10.234 -61.603 1.00 57.01 C +ATOM 646 C GLN A 99 24.751 -9.469 -62.105 1.00 55.55 C +ATOM 647 O GLN A 99 24.641 -8.318 -62.502 1.00 54.23 O +ATOM 648 CB GLN A 99 22.597 -10.700 -62.742 1.00 57.44 C +ATOM 649 CG GLN A 99 23.284 -11.714 -63.669 1.00 53.44 C +ATOM 650 CD GLN A 99 22.334 -12.327 -64.700 1.00 52.22 C +ATOM 651 OE1 GLN A 99 21.176 -11.988 -64.824 1.00 52.44 O +ATOM 652 NE2 GLN A 99 22.793 -13.285 -65.474 1.00 48.23 N +ATOM 653 N GLY A 100 25.900 -10.110 -62.045 1.00 54.85 N +ATOM 654 CA GLY A 100 27.130 -9.497 -62.537 1.00 55.66 C +ATOM 655 C GLY A 100 27.021 -9.081 -64.007 1.00 55.73 C +ATOM 656 O GLY A 100 26.299 -9.723 -64.774 1.00 54.72 O +ATOM 657 N PRO A 101 27.730 -8.009 -64.400 1.00 57.27 N +ATOM 658 CA PRO A 101 27.727 -7.552 -65.781 1.00 58.80 C +ATOM 659 C PRO A 101 28.231 -8.655 -66.722 1.00 56.97 C +ATOM 660 O PRO A 101 29.009 -9.531 -66.331 1.00 56.32 O +ATOM 661 CB PRO A 101 28.609 -6.297 -65.810 1.00 59.45 C +ATOM 662 CG PRO A 101 29.553 -6.501 -64.633 1.00 57.70 C +ATOM 663 CD PRO A 101 28.688 -7.243 -63.611 1.00 59.68 C +ATOM 664 N ALA A 102 27.770 -8.602 -67.950 1.00 59.15 N +ATOM 665 CA ALA A 102 28.310 -9.488 -68.968 1.00 59.62 C +ATOM 666 C ALA A 102 29.821 -9.259 -69.132 1.00 58.06 C +ATOM 667 O ALA A 102 30.277 -8.117 -69.138 1.00 56.09 O +ATOM 668 CB ALA A 102 27.551 -9.268 -70.290 1.00 58.76 C +ATOM 669 N GLY A 103 30.561 -10.331 -69.236 1.00 54.87 N +ATOM 670 CA GLY A 103 32.008 -10.242 -69.418 1.00 55.87 C +ATOM 671 C GLY A 103 32.379 -9.448 -70.674 1.00 56.41 C +ATOM 672 O GLY A 103 31.650 -9.497 -71.668 1.00 55.38 O +ATOM 673 N PRO A 104 33.503 -8.722 -70.668 1.00 58.62 N +ATOM 674 CA PRO A 104 33.948 -7.952 -71.818 1.00 60.52 C +ATOM 675 C PRO A 104 34.168 -8.874 -73.025 1.00 58.88 C +ATOM 676 O PRO A 104 34.611 -10.012 -72.883 1.00 58.45 O +ATOM 677 CB PRO A 104 35.230 -7.234 -71.375 1.00 60.86 C +ATOM 678 CG PRO A 104 35.762 -8.110 -70.246 1.00 58.47 C +ATOM 679 CD PRO A 104 34.496 -8.658 -69.594 1.00 60.79 C +ATOM 680 N MET A 105 33.863 -8.366 -74.199 1.00 57.55 N +ATOM 681 CA MET A 105 34.183 -9.082 -75.426 1.00 58.12 C +ATOM 682 C MET A 105 35.693 -9.245 -75.538 1.00 57.78 C +ATOM 683 O MET A 105 36.410 -8.266 -75.744 1.00 56.25 O +ATOM 684 CB MET A 105 33.604 -8.359 -76.652 1.00 57.21 C +ATOM 685 CG MET A 105 32.093 -8.573 -76.804 1.00 51.98 C +ATOM 686 SD MET A 105 31.407 -7.994 -78.378 1.00 48.74 S +ATOM 687 CE MET A 105 31.228 -6.232 -78.046 1.00 46.28 C +ATOM 688 N ARG A 106 36.174 -10.461 -75.362 1.00 57.16 N +ATOM 689 CA ARG A 106 37.571 -10.818 -75.611 1.00 58.88 C +ATOM 690 C ARG A 106 37.684 -11.739 -76.825 1.00 58.01 C +ATOM 691 O ARG A 106 36.719 -12.426 -77.157 1.00 57.28 O +ATOM 692 CB ARG A 106 38.205 -11.438 -74.356 1.00 57.15 C +ATOM 693 CG ARG A 106 38.727 -10.352 -73.404 1.00 51.11 C +ATOM 694 CD ARG A 106 39.465 -10.989 -72.217 1.00 48.84 C +ATOM 695 NE ARG A 106 40.305 -10.006 -71.515 1.00 49.51 N +ATOM 696 CZ ARG A 106 41.496 -10.233 -70.986 1.00 43.13 C +ATOM 697 NH1 ARG A 106 42.069 -11.398 -71.012 1.00 44.80 N +ATOM 698 NH2 ARG A 106 42.162 -9.269 -70.403 1.00 43.34 N +ATOM 699 N PRO A 107 38.853 -11.756 -77.500 1.00 57.42 N +ATOM 700 CA PRO A 107 39.143 -12.759 -78.515 1.00 58.86 C +ATOM 701 C PRO A 107 38.915 -14.169 -77.950 1.00 56.91 C +ATOM 702 O PRO A 107 39.210 -14.420 -76.784 1.00 55.84 O +ATOM 703 CB PRO A 107 40.603 -12.541 -78.934 1.00 59.17 C +ATOM 704 CG PRO A 107 40.916 -11.119 -78.472 1.00 57.05 C +ATOM 705 CD PRO A 107 40.038 -10.937 -77.245 1.00 58.27 C +ATOM 706 N ALA A 108 38.358 -15.054 -78.750 1.00 58.58 N +ATOM 707 CA ALA A 108 37.927 -16.377 -78.327 1.00 59.74 C +ATOM 708 C ALA A 108 39.002 -17.119 -77.497 1.00 59.35 C +ATOM 709 O ALA A 108 40.095 -17.370 -77.994 1.00 56.34 O +ATOM 710 CB ALA A 108 37.554 -17.175 -79.592 1.00 57.41 C +ATOM 711 N GLY A 109 38.656 -17.492 -76.237 1.00 52.45 N +ATOM 712 CA GLY A 109 39.487 -18.387 -75.431 1.00 53.94 C +ATOM 713 C GLY A 109 39.406 -18.252 -73.913 1.00 54.98 C +ATOM 714 O GLY A 109 39.568 -19.257 -73.232 1.00 53.26 O +ATOM 715 N GLU A 110 39.096 -17.075 -73.344 1.00 54.03 N +ATOM 716 CA GLU A 110 39.120 -16.897 -71.886 1.00 57.62 C +ATOM 717 C GLU A 110 37.706 -16.773 -71.290 1.00 56.70 C +ATOM 718 O GLU A 110 36.838 -16.064 -71.795 1.00 55.98 O +ATOM 719 CB GLU A 110 40.042 -15.749 -71.473 1.00 57.07 C +ATOM 720 CG GLU A 110 41.520 -16.113 -71.711 1.00 52.79 C +ATOM 721 CD GLU A 110 42.512 -15.048 -71.207 1.00 50.50 C +ATOM 722 OE1 GLU A 110 43.703 -15.383 -71.047 1.00 49.22 O +ATOM 723 OE2 GLU A 110 42.091 -13.875 -71.019 1.00 47.51 O +ATOM 724 N ARG A 111 37.467 -17.491 -70.185 1.00 56.49 N +ATOM 725 CA ARG A 111 36.222 -17.442 -69.405 1.00 59.07 C +ATOM 726 C ARG A 111 36.077 -16.055 -68.766 1.00 57.26 C +ATOM 727 O ARG A 111 37.016 -15.582 -68.142 1.00 56.02 O +ATOM 728 CB ARG A 111 36.260 -18.559 -68.356 1.00 58.17 C +ATOM 729 CG ARG A 111 34.933 -18.737 -67.593 1.00 52.14 C +ATOM 730 CD ARG A 111 35.060 -19.901 -66.610 1.00 52.74 C +ATOM 731 NE ARG A 111 33.788 -20.212 -65.949 1.00 50.98 N +ATOM 732 CZ ARG A 111 33.587 -21.153 -65.046 1.00 46.76 C +ATOM 733 NH1 ARG A 111 34.554 -21.904 -64.600 1.00 47.23 N +ATOM 734 NH2 ARG A 111 32.389 -21.372 -64.560 1.00 45.83 N +ATOM 735 N GLY A 112 34.898 -15.431 -68.895 1.00 55.95 N +ATOM 736 CA GLY A 112 34.624 -14.125 -68.291 1.00 56.98 C +ATOM 737 C GLY A 112 34.879 -14.126 -66.784 1.00 57.73 C +ATOM 738 O GLY A 112 34.653 -15.132 -66.106 1.00 56.28 O +ATOM 739 N GLU A 113 35.365 -12.977 -66.264 1.00 58.21 N +ATOM 740 CA GLU A 113 35.608 -12.803 -64.831 1.00 61.03 C +ATOM 741 C GLU A 113 34.315 -12.990 -64.028 1.00 59.89 C +ATOM 742 O GLU A 113 33.214 -12.665 -64.472 1.00 59.16 O +ATOM 743 CB GLU A 113 36.258 -11.440 -64.545 1.00 59.89 C +ATOM 744 CG GLU A 113 37.687 -11.361 -65.120 1.00 55.66 C +ATOM 745 CD GLU A 113 38.422 -10.055 -64.775 1.00 53.53 C +ATOM 746 OE1 GLU A 113 39.653 -10.032 -64.973 1.00 52.02 O +ATOM 747 OE2 GLU A 113 37.750 -9.094 -64.340 1.00 49.95 O +ATOM 748 N LYS A 114 34.444 -13.565 -62.820 1.00 63.01 N +ATOM 749 CA LYS A 114 33.308 -13.768 -61.912 1.00 65.08 C +ATOM 750 C LYS A 114 32.753 -12.403 -61.502 1.00 63.55 C +ATOM 751 O LYS A 114 33.509 -11.542 -61.093 1.00 61.70 O +ATOM 752 CB LYS A 114 33.781 -14.597 -60.710 1.00 62.68 C +ATOM 753 CG LYS A 114 32.629 -14.980 -59.765 1.00 56.05 C +ATOM 754 CD LYS A 114 33.153 -15.822 -58.596 1.00 56.18 C +ATOM 755 CE LYS A 114 31.997 -16.171 -57.658 1.00 53.48 C +ATOM 756 NZ LYS A 114 32.474 -16.881 -56.440 1.00 48.93 N +ATOM 757 N GLY A 115 31.438 -12.222 -61.580 1.00 59.36 N +ATOM 758 CA GLY A 115 30.787 -10.993 -61.133 1.00 59.43 C +ATOM 759 C GLY A 115 31.080 -10.693 -59.659 1.00 59.48 C +ATOM 760 O GLY A 115 31.258 -11.612 -58.855 1.00 57.86 O +ATOM 761 N GLU A 116 31.123 -9.392 -59.317 1.00 59.21 N +ATOM 762 CA GLU A 116 31.360 -8.940 -57.947 1.00 61.67 C +ATOM 763 C GLU A 116 30.267 -9.453 -56.987 1.00 60.15 C +ATOM 764 O GLU A 116 29.100 -9.581 -57.375 1.00 59.01 O +ATOM 765 CB GLU A 116 31.460 -7.408 -57.871 1.00 60.69 C +ATOM 766 CG GLU A 116 32.708 -6.863 -58.599 1.00 57.03 C +ATOM 767 CD GLU A 116 32.901 -5.352 -58.402 1.00 54.56 C +ATOM 768 OE1 GLU A 116 34.050 -4.895 -58.604 1.00 52.80 O +ATOM 769 OE2 GLU A 116 31.910 -4.662 -58.059 1.00 50.66 O +ATOM 770 N PRO A 117 30.628 -9.757 -55.724 1.00 61.37 N +ATOM 771 CA PRO A 117 29.641 -10.110 -54.706 1.00 62.47 C +ATOM 772 C PRO A 117 28.579 -9.013 -54.550 1.00 60.86 C +ATOM 773 O PRO A 117 28.896 -7.825 -54.586 1.00 59.70 O +ATOM 774 CB PRO A 117 30.429 -10.306 -53.406 1.00 62.53 C +ATOM 775 CG PRO A 117 31.842 -10.628 -53.878 1.00 59.21 C +ATOM 776 CD PRO A 117 31.973 -9.814 -55.160 1.00 62.04 C +ATOM 777 N GLY A 118 27.329 -9.408 -54.344 1.00 58.76 N +ATOM 778 CA GLY A 118 26.261 -8.463 -54.040 1.00 59.13 C +ATOM 779 C GLY A 118 26.548 -7.662 -52.769 1.00 59.36 C +ATOM 780 O GLY A 118 27.164 -8.162 -51.827 1.00 57.89 O +ATOM 781 N THR A 119 26.068 -6.394 -52.718 1.00 60.92 N +ATOM 782 CA THR A 119 26.214 -5.531 -51.541 1.00 61.72 C +ATOM 783 C THR A 119 25.463 -6.115 -50.343 1.00 60.04 C +ATOM 784 O THR A 119 24.403 -6.729 -50.488 1.00 58.22 O +ATOM 785 CB THR A 119 25.740 -4.102 -51.833 1.00 61.10 C +ATOM 786 OG1 THR A 119 24.436 -4.101 -52.359 1.00 57.53 O +ATOM 787 CG2 THR A 119 26.637 -3.401 -52.856 1.00 57.75 C +ATOM 788 N GLN A 120 26.022 -5.911 -49.150 1.00 59.93 N +ATOM 789 CA GLN A 120 25.379 -6.344 -47.916 1.00 61.69 C +ATOM 790 C GLN A 120 24.021 -5.642 -47.736 1.00 60.42 C +ATOM 791 O GLN A 120 23.915 -4.438 -47.968 1.00 57.71 O +ATOM 792 CB GLN A 120 26.333 -6.067 -46.736 1.00 60.12 C +ATOM 793 CG GLN A 120 25.810 -6.620 -45.400 1.00 55.61 C +ATOM 794 CD GLN A 120 26.807 -6.455 -44.241 1.00 54.38 C +ATOM 795 OE1 GLN A 120 27.887 -5.900 -44.359 1.00 53.34 O +ATOM 796 NE2 GLN A 120 26.472 -6.939 -43.073 1.00 49.73 N +ATOM 797 N GLY A 121 23.001 -6.393 -47.302 1.00 58.26 N +ATOM 798 CA GLY A 121 21.682 -5.833 -47.008 1.00 58.46 C +ATOM 799 C GLY A 121 21.731 -4.758 -45.925 1.00 58.86 C +ATOM 800 O GLY A 121 22.582 -4.802 -45.026 1.00 57.63 O +ATOM 801 N ALA A 122 20.807 -3.786 -46.003 1.00 60.95 N +ATOM 802 CA ALA A 122 20.696 -2.718 -45.019 1.00 62.21 C +ATOM 803 C ALA A 122 20.424 -3.298 -43.607 1.00 61.79 C +ATOM 804 O ALA A 122 19.752 -4.312 -43.450 1.00 60.33 O +ATOM 805 CB ALA A 122 19.605 -1.731 -45.452 1.00 60.62 C +ATOM 806 N LYS A 123 20.960 -2.622 -42.577 1.00 62.93 N +ATOM 807 CA LYS A 123 20.690 -2.978 -41.177 1.00 65.51 C +ATOM 808 C LYS A 123 19.190 -2.842 -40.901 1.00 65.92 C +ATOM 809 O LYS A 123 18.584 -1.857 -41.319 1.00 64.54 O +ATOM 810 CB LYS A 123 21.538 -2.096 -40.247 1.00 63.15 C +ATOM 811 CG LYS A 123 21.419 -2.515 -38.771 1.00 56.58 C +ATOM 812 CD LYS A 123 22.340 -1.675 -37.858 1.00 56.37 C +ATOM 813 CE LYS A 123 22.164 -2.137 -36.408 1.00 53.77 C +ATOM 814 NZ LYS A 123 23.005 -1.358 -35.460 1.00 48.62 N +ATOM 815 N GLY A 124 18.617 -3.806 -40.197 1.00 61.29 N +ATOM 816 CA GLY A 124 17.207 -3.753 -39.805 1.00 61.87 C +ATOM 817 C GLY A 124 16.899 -2.536 -38.924 1.00 63.52 C +ATOM 818 O GLY A 124 17.754 -2.084 -38.153 1.00 62.18 O +ATOM 819 N ASP A 125 15.654 -2.024 -39.029 1.00 60.76 N +ATOM 820 CA ASP A 125 15.177 -0.914 -38.222 1.00 62.71 C +ATOM 821 C ASP A 125 15.230 -1.258 -36.725 1.00 62.40 C +ATOM 822 O ASP A 125 15.050 -2.409 -36.311 1.00 61.52 O +ATOM 823 CB ASP A 125 13.757 -0.501 -38.642 1.00 61.06 C +ATOM 824 CG ASP A 125 13.681 0.037 -40.070 1.00 58.50 C +ATOM 825 OD1 ASP A 125 14.584 0.815 -40.452 1.00 56.33 O +ATOM 826 OD2 ASP A 125 12.715 -0.340 -40.777 1.00 54.38 O +ATOM 827 N ARG A 126 15.458 -0.233 -35.883 1.00 62.80 N +ATOM 828 CA ARG A 126 15.440 -0.402 -34.431 1.00 65.24 C +ATOM 829 C ARG A 126 14.038 -0.813 -33.969 1.00 65.02 C +ATOM 830 O ARG A 126 13.053 -0.246 -34.432 1.00 63.47 O +ATOM 831 CB ARG A 126 15.916 0.899 -33.760 1.00 63.50 C +ATOM 832 CG ARG A 126 16.028 0.757 -32.233 1.00 58.25 C +ATOM 833 CD ARG A 126 16.611 2.032 -31.613 1.00 57.93 C +ATOM 834 NE ARG A 126 16.714 1.914 -30.154 1.00 56.25 N +ATOM 835 CZ ARG A 126 17.413 2.695 -29.352 1.00 51.05 C +ATOM 836 NH1 ARG A 126 18.100 3.705 -29.802 1.00 51.55 N +ATOM 837 NH2 ARG A 126 17.433 2.467 -28.061 1.00 50.88 N +ATOM 838 N GLY A 127 13.968 -1.752 -33.032 1.00 61.55 N +ATOM 839 CA GLY A 127 12.698 -2.169 -32.434 1.00 61.45 C +ATOM 840 C GLY A 127 11.950 -0.994 -31.786 1.00 62.14 C +ATOM 841 O GLY A 127 12.565 -0.083 -31.235 1.00 60.85 O +ATOM 842 N GLU A 128 10.604 -1.031 -31.853 1.00 58.96 N +ATOM 843 CA GLU A 128 9.749 -0.022 -31.221 1.00 60.74 C +ATOM 844 C GLU A 128 9.979 0.033 -29.701 1.00 59.59 C +ATOM 845 O GLU A 128 10.292 -0.966 -29.046 1.00 58.67 O +ATOM 846 CB GLU A 128 8.264 -0.283 -31.536 1.00 59.71 C +ATOM 847 CG GLU A 128 7.940 -0.114 -33.042 1.00 55.67 C +ATOM 848 CD GLU A 128 6.438 -0.255 -33.354 1.00 53.37 C +ATOM 849 OE1 GLU A 128 6.048 0.165 -34.471 1.00 51.65 O +ATOM 850 OE2 GLU A 128 5.690 -0.783 -32.504 1.00 49.22 O +ATOM 851 N THR A 129 9.822 1.247 -29.127 1.00 65.37 N +ATOM 852 CA THR A 129 9.894 1.430 -27.682 1.00 65.44 C +ATOM 853 C THR A 129 8.794 0.604 -27.012 1.00 64.31 C +ATOM 854 O THR A 129 7.648 0.648 -27.442 1.00 61.90 O +ATOM 855 CB THR A 129 9.753 2.915 -27.305 1.00 64.16 C +ATOM 856 OG1 THR A 129 10.757 3.668 -27.963 1.00 59.86 O +ATOM 857 CG2 THR A 129 9.908 3.185 -25.815 1.00 59.75 C +ATOM 858 N GLY A 130 9.136 -0.131 -25.956 1.00 59.16 N +ATOM 859 CA GLY A 130 8.173 -0.937 -25.214 1.00 59.32 C +ATOM 860 C GLY A 130 7.001 -0.110 -24.673 1.00 60.10 C +ATOM 861 O GLY A 130 7.169 1.084 -24.383 1.00 59.31 O +ATOM 862 N PRO A 131 5.812 -0.718 -24.513 1.00 61.08 N +ATOM 863 CA PRO A 131 4.646 -0.029 -23.976 1.00 62.62 C +ATOM 864 C PRO A 131 4.916 0.504 -22.563 1.00 62.11 C +ATOM 865 O PRO A 131 5.757 -0.007 -21.822 1.00 62.08 O +ATOM 866 CB PRO A 131 3.511 -1.055 -24.004 1.00 61.92 C +ATOM 867 CG PRO A 131 4.238 -2.396 -23.924 1.00 59.63 C +ATOM 868 CD PRO A 131 5.525 -2.127 -24.706 1.00 60.79 C +ATOM 869 N VAL A 132 4.158 1.557 -22.184 1.00 63.93 N +ATOM 870 CA VAL A 132 4.160 2.077 -20.812 1.00 65.54 C +ATOM 871 C VAL A 132 3.756 0.956 -19.854 1.00 66.02 C +ATOM 872 O VAL A 132 2.809 0.226 -20.130 1.00 64.22 O +ATOM 873 CB VAL A 132 3.211 3.291 -20.682 1.00 64.20 C +ATOM 874 CG1 VAL A 132 3.169 3.865 -19.267 1.00 59.56 C +ATOM 875 CG2 VAL A 132 3.642 4.422 -21.624 1.00 60.78 C +ATOM 876 N GLY A 133 4.488 0.815 -18.731 1.00 61.07 N +ATOM 877 CA GLY A 133 4.170 -0.190 -17.727 1.00 61.71 C +ATOM 878 C GLY A 133 2.746 -0.025 -17.172 1.00 63.51 C +ATOM 879 O GLY A 133 2.221 1.093 -17.159 1.00 62.97 O +ATOM 880 N PRO A 134 2.122 -1.119 -16.699 1.00 62.98 N +ATOM 881 CA PRO A 134 0.774 -1.068 -16.156 1.00 64.69 C +ATOM 882 C PRO A 134 0.688 -0.088 -14.982 1.00 64.96 C +ATOM 883 O PRO A 134 1.655 0.144 -14.252 1.00 64.58 O +ATOM 884 CB PRO A 134 0.440 -2.504 -15.739 1.00 63.39 C +ATOM 885 CG PRO A 134 1.807 -3.141 -15.500 1.00 60.59 C +ATOM 886 CD PRO A 134 2.690 -2.442 -16.531 1.00 61.50 C +ATOM 887 N ARG A 135 -0.517 0.503 -14.801 1.00 65.45 N +ATOM 888 CA ARG A 135 -0.811 1.376 -13.661 1.00 67.87 C +ATOM 889 C ARG A 135 -0.623 0.607 -12.360 1.00 68.07 C +ATOM 890 O ARG A 135 -1.058 -0.536 -12.251 1.00 66.22 O +ATOM 891 CB ARG A 135 -2.232 1.921 -13.825 1.00 65.57 C +ATOM 892 CG ARG A 135 -2.574 2.976 -12.769 1.00 60.55 C +ATOM 893 CD ARG A 135 -3.956 3.555 -13.078 1.00 59.63 C +ATOM 894 NE ARG A 135 -4.294 4.642 -12.168 1.00 58.18 N +ATOM 895 CZ ARG A 135 -5.398 5.352 -12.201 1.00 52.04 C +ATOM 896 NH1 ARG A 135 -6.330 5.143 -13.085 1.00 52.17 N +ATOM 897 NH2 ARG A 135 -5.598 6.289 -11.330 1.00 51.09 N +ATOM 898 N GLY A 136 0.001 1.250 -11.355 1.00 62.55 N +ATOM 899 CA GLY A 136 0.153 0.645 -10.039 1.00 63.09 C +ATOM 900 C GLY A 136 -1.196 0.286 -9.408 1.00 64.81 C +ATOM 901 O GLY A 136 -2.174 1.019 -9.574 1.00 63.91 O +ATOM 902 N GLU A 137 -1.230 -0.826 -8.687 1.00 59.84 N +ATOM 903 CA GLU A 137 -2.428 -1.251 -7.962 1.00 62.63 C +ATOM 904 C GLU A 137 -2.830 -0.209 -6.912 1.00 62.92 C +ATOM 905 O GLU A 137 -2.005 0.524 -6.359 1.00 62.19 O +ATOM 906 CB GLU A 137 -2.218 -2.626 -7.316 1.00 60.67 C +ATOM 907 CG GLU A 137 -2.046 -3.732 -8.371 1.00 55.86 C +ATOM 908 CD GLU A 137 -1.932 -5.142 -7.767 1.00 52.96 C +ATOM 909 OE1 GLU A 137 -2.090 -6.103 -8.548 1.00 51.13 O +ATOM 910 OE2 GLU A 137 -1.667 -5.240 -6.549 1.00 48.71 O +ATOM 911 N ARG A 138 -4.147 -0.136 -6.641 1.00 65.26 N +ATOM 912 CA ARG A 138 -4.683 0.730 -5.588 1.00 67.27 C +ATOM 913 C ARG A 138 -4.107 0.307 -4.238 1.00 66.99 C +ATOM 914 O ARG A 138 -4.110 -0.871 -3.903 1.00 64.97 O +ATOM 915 CB ARG A 138 -6.219 0.676 -5.637 1.00 65.18 C +ATOM 916 CG ARG A 138 -6.852 1.482 -4.489 1.00 60.62 C +ATOM 917 CD ARG A 138 -8.368 1.499 -4.591 1.00 59.98 C +ATOM 918 NE ARG A 138 -8.857 2.637 -5.378 1.00 58.51 N +ATOM 919 CZ ARG A 138 -10.069 3.170 -5.315 1.00 53.15 C +ATOM 920 NH1 ARG A 138 -11.002 2.667 -4.559 1.00 53.56 N +ATOM 921 NH2 ARG A 138 -10.343 4.222 -6.002 1.00 52.28 N +ATOM 922 N GLY A 139 -3.641 1.285 -3.446 1.00 61.97 N +ATOM 923 CA GLY A 139 -3.197 1.019 -2.083 1.00 61.95 C +ATOM 924 C GLY A 139 -4.321 0.424 -1.227 1.00 62.92 C +ATOM 925 O GLY A 139 -5.481 0.815 -1.364 1.00 61.60 O +ATOM 926 N GLU A 140 -3.958 -0.495 -0.346 1.00 56.97 N +ATOM 927 CA GLU A 140 -4.899 -1.091 0.606 1.00 59.53 C +ATOM 928 C GLU A 140 -5.508 -0.021 1.527 1.00 58.10 C +ATOM 929 O GLU A 140 -4.879 1.001 1.847 1.00 57.30 O +ATOM 930 CB GLU A 140 -4.219 -2.193 1.430 1.00 58.92 C +ATOM 931 CG GLU A 140 -3.818 -3.403 0.569 1.00 54.91 C +ATOM 932 CD GLU A 140 -3.186 -4.552 1.385 1.00 52.89 C +ATOM 933 OE1 GLU A 140 -3.117 -5.671 0.831 1.00 51.83 O +ATOM 934 OE2 GLU A 140 -2.771 -4.295 2.536 1.00 49.49 O +ATOM 935 N ALA A 141 -6.765 -0.243 1.962 1.00 64.26 N +ATOM 936 CA ALA A 141 -7.403 0.598 2.958 1.00 64.23 C +ATOM 937 C ALA A 141 -6.601 0.552 4.272 1.00 63.39 C +ATOM 938 O ALA A 141 -6.066 -0.483 4.652 1.00 60.86 O +ATOM 939 CB ALA A 141 -8.857 0.152 3.152 1.00 62.90 C +ATOM 940 N GLY A 142 -6.512 1.695 4.957 1.00 58.58 N +ATOM 941 CA GLY A 142 -5.931 1.713 6.295 1.00 58.67 C +ATOM 942 C GLY A 142 -6.736 0.819 7.252 1.00 59.03 C +ATOM 943 O GLY A 142 -7.952 0.706 7.081 1.00 57.78 O +ATOM 944 N PRO A 143 -6.086 0.210 8.256 1.00 59.39 N +ATOM 945 CA PRO A 143 -6.790 -0.584 9.249 1.00 60.80 C +ATOM 946 C PRO A 143 -7.821 0.273 9.989 1.00 59.68 C +ATOM 947 O PRO A 143 -7.638 1.490 10.147 1.00 58.82 O +ATOM 948 CB PRO A 143 -5.708 -1.132 10.187 1.00 60.60 C +ATOM 949 CG PRO A 143 -4.586 -0.098 10.075 1.00 58.58 C +ATOM 950 CD PRO A 143 -4.684 0.347 8.611 1.00 60.76 C +ATOM 951 N ALA A 144 -8.888 -0.366 10.488 1.00 62.07 N +ATOM 952 CA ALA A 144 -9.841 0.272 11.382 1.00 62.92 C +ATOM 953 C ALA A 144 -9.120 0.858 12.615 1.00 62.19 C +ATOM 954 O ALA A 144 -8.141 0.296 13.105 1.00 59.94 O +ATOM 955 CB ALA A 144 -10.917 -0.747 11.789 1.00 61.75 C +ATOM 956 N GLY A 145 -9.595 2.015 13.084 1.00 57.96 N +ATOM 957 CA GLY A 145 -9.119 2.561 14.350 1.00 58.86 C +ATOM 958 C GLY A 145 -9.410 1.583 15.492 1.00 59.63 C +ATOM 959 O GLY A 145 -10.429 0.905 15.486 1.00 58.37 O +ATOM 960 N LYS A 146 -8.510 1.526 16.464 1.00 57.75 N +ATOM 961 CA LYS A 146 -8.735 0.712 17.668 1.00 60.54 C +ATOM 962 C LYS A 146 -9.955 1.236 18.438 1.00 60.38 C +ATOM 963 O LYS A 146 -10.179 2.451 18.488 1.00 59.20 O +ATOM 964 CB LYS A 146 -7.491 0.709 18.572 1.00 58.96 C +ATOM 965 CG LYS A 146 -6.287 0.001 17.934 1.00 54.91 C +ATOM 966 CD LYS A 146 -5.047 0.130 18.824 1.00 53.82 C +ATOM 967 CE LYS A 146 -3.830 -0.506 18.141 1.00 51.16 C +ATOM 968 NZ LYS A 146 -2.551 0.021 18.680 1.00 46.07 N +ATOM 969 N ASP A 147 -10.679 0.319 19.074 1.00 62.50 N +ATOM 970 CA ASP A 147 -11.783 0.663 19.966 1.00 64.37 C +ATOM 971 C ASP A 147 -11.318 1.643 21.045 1.00 64.94 C +ATOM 972 O ASP A 147 -10.197 1.558 21.549 1.00 62.85 O +ATOM 973 CB ASP A 147 -12.367 -0.589 20.638 1.00 61.97 C +ATOM 974 CG ASP A 147 -12.896 -1.636 19.660 1.00 58.90 C +ATOM 975 OD1 ASP A 147 -12.931 -1.321 18.447 1.00 56.49 O +ATOM 976 OD2 ASP A 147 -13.178 -2.753 20.138 1.00 55.68 O +ATOM 977 N GLY A 148 -12.188 2.594 21.402 1.00 56.87 N +ATOM 978 CA GLY A 148 -11.929 3.455 22.544 1.00 57.78 C +ATOM 979 C GLY A 148 -11.762 2.623 23.820 1.00 58.83 C +ATOM 980 O GLY A 148 -12.476 1.646 24.042 1.00 57.60 O +ATOM 981 N GLU A 149 -10.833 3.044 24.667 1.00 55.82 N +ATOM 982 CA GLU A 149 -10.660 2.389 25.968 1.00 58.51 C +ATOM 983 C GLU A 149 -11.961 2.457 26.781 1.00 58.62 C +ATOM 984 O GLU A 149 -12.699 3.444 26.747 1.00 58.08 O +ATOM 985 CB GLU A 149 -9.485 2.996 26.755 1.00 57.55 C +ATOM 986 CG GLU A 149 -8.127 2.704 26.083 1.00 53.02 C +ATOM 987 CD GLU A 149 -6.921 3.190 26.912 1.00 50.35 C +ATOM 988 OE1 GLU A 149 -5.798 2.737 26.576 1.00 49.32 O +ATOM 989 OE2 GLU A 149 -7.114 4.006 27.838 1.00 47.00 O +ATOM 990 N ARG A 150 -12.254 1.364 27.512 1.00 59.96 N +ATOM 991 CA ARG A 150 -13.394 1.334 28.431 1.00 62.17 C +ATOM 992 C ARG A 150 -13.241 2.449 29.470 1.00 61.35 C +ATOM 993 O ARG A 150 -12.175 2.608 30.056 1.00 59.38 O +ATOM 994 CB ARG A 150 -13.500 -0.069 29.073 1.00 60.69 C +ATOM 995 CG ARG A 150 -14.622 -0.148 30.116 1.00 55.79 C +ATOM 996 CD ARG A 150 -14.735 -1.537 30.752 1.00 55.88 C +ATOM 997 NE ARG A 150 -15.718 -2.397 30.071 1.00 54.60 N +ATOM 998 CZ ARG A 150 -16.299 -3.460 30.611 1.00 49.48 C +ATOM 999 NH1 ARG A 150 -16.004 -3.886 31.805 1.00 50.02 N +ATOM 1000 NH2 ARG A 150 -17.222 -4.105 29.966 1.00 49.24 N +ATOM 1001 N GLY A 151 -14.299 3.205 29.685 1.00 58.10 N +ATOM 1002 CA GLY A 151 -14.309 4.222 30.744 1.00 58.22 C +ATOM 1003 C GLY A 151 -13.986 3.599 32.111 1.00 58.34 C +ATOM 1004 O GLY A 151 -14.358 2.446 32.359 1.00 57.51 O +ATOM 1005 N PRO A 152 -13.331 4.354 32.994 1.00 57.75 N +ATOM 1006 CA PRO A 152 -13.028 3.860 34.329 1.00 59.50 C +ATOM 1007 C PRO A 152 -14.319 3.507 35.085 1.00 58.43 C +ATOM 1008 O PRO A 152 -15.370 4.126 34.878 1.00 58.24 O +ATOM 1009 CB PRO A 152 -12.238 4.977 35.020 1.00 59.41 C +ATOM 1010 CG PRO A 152 -12.698 6.237 34.287 1.00 57.19 C +ATOM 1011 CD PRO A 152 -12.926 5.735 32.853 1.00 58.86 C +ATOM 1012 N VAL A 153 -14.215 2.528 35.977 1.00 60.40 N +ATOM 1013 CA VAL A 153 -15.302 2.188 36.908 1.00 61.93 C +ATOM 1014 C VAL A 153 -15.651 3.435 37.731 1.00 61.23 C +ATOM 1015 O VAL A 153 -14.760 4.134 38.208 1.00 59.06 O +ATOM 1016 CB VAL A 153 -14.917 1.001 37.819 1.00 60.84 C +ATOM 1017 CG1 VAL A 153 -16.040 0.620 38.790 1.00 56.44 C +ATOM 1018 CG2 VAL A 153 -14.581 -0.245 36.998 1.00 57.62 C +ATOM 1019 N GLY A 154 -16.935 3.732 37.861 1.00 56.05 N +ATOM 1020 CA GLY A 154 -17.385 4.833 38.713 1.00 56.42 C +ATOM 1021 C GLY A 154 -16.925 4.619 40.159 1.00 56.20 C +ATOM 1022 O GLY A 154 -16.857 3.476 40.617 1.00 55.38 O +ATOM 1023 N PRO A 155 -16.629 5.699 40.878 1.00 55.48 N +ATOM 1024 CA PRO A 155 -16.266 5.570 42.285 1.00 57.61 C +ATOM 1025 C PRO A 155 -17.411 4.908 43.064 1.00 55.86 C +ATOM 1026 O PRO A 155 -18.587 5.096 42.732 1.00 55.51 O +ATOM 1027 CB PRO A 155 -15.978 6.995 42.771 1.00 57.93 C +ATOM 1028 CG PRO A 155 -16.819 7.857 41.836 1.00 56.47 C +ATOM 1029 CD PRO A 155 -16.766 7.094 40.507 1.00 58.13 C +ATOM 1030 N ALA A 156 -17.048 4.183 44.115 1.00 56.75 N +ATOM 1031 CA ALA A 156 -18.030 3.647 45.051 1.00 58.50 C +ATOM 1032 C ALA A 156 -18.956 4.761 45.581 1.00 57.28 C +ATOM 1033 O ALA A 156 -18.539 5.908 45.777 1.00 55.42 O +ATOM 1034 CB ALA A 156 -17.299 2.916 46.194 1.00 57.75 C +ATOM 1035 N GLY A 157 -20.215 4.431 45.779 1.00 51.39 N +ATOM 1036 CA GLY A 157 -21.156 5.316 46.456 1.00 52.07 C +ATOM 1037 C GLY A 157 -20.658 5.658 47.862 1.00 52.34 C +ATOM 1038 O GLY A 157 -19.970 4.864 48.491 1.00 51.36 O +ATOM 1039 N LYS A 158 -21.010 6.840 48.311 1.00 51.67 N +ATOM 1040 CA LYS A 158 -20.694 7.202 49.702 1.00 55.00 C +ATOM 1041 C LYS A 158 -21.450 6.274 50.648 1.00 54.39 C +ATOM 1042 O LYS A 158 -22.607 5.950 50.385 1.00 53.81 O +ATOM 1043 CB LYS A 158 -21.065 8.661 49.996 1.00 54.33 C +ATOM 1044 CG LYS A 158 -20.212 9.655 49.194 1.00 51.31 C +ATOM 1045 CD LYS A 158 -20.593 11.084 49.589 1.00 50.30 C +ATOM 1046 CE LYS A 158 -19.759 12.092 48.803 1.00 47.73 C +ATOM 1047 NZ LYS A 158 -20.111 13.475 49.175 1.00 43.28 N +ATOM 1048 N ASP A 159 -20.814 5.968 51.766 1.00 52.52 N +ATOM 1049 CA ASP A 159 -21.453 5.218 52.843 1.00 55.39 C +ATOM 1050 C ASP A 159 -22.783 5.872 53.249 1.00 54.23 C +ATOM 1051 O ASP A 159 -22.943 7.105 53.227 1.00 52.86 O +ATOM 1052 CB ASP A 159 -20.516 5.109 54.055 1.00 54.60 C +ATOM 1053 CG ASP A 159 -19.152 4.490 53.739 1.00 52.59 C +ATOM 1054 OD1 ASP A 159 -19.024 3.871 52.652 1.00 50.64 O +ATOM 1055 OD2 ASP A 159 -18.213 4.751 54.527 1.00 50.08 O +ATOM 1056 N GLY A 160 -23.735 5.039 53.595 1.00 51.06 N +ATOM 1057 CA GLY A 160 -24.996 5.506 54.153 1.00 51.70 C +ATOM 1058 C GLY A 160 -24.766 6.291 55.446 1.00 51.84 C +ATOM 1059 O GLY A 160 -23.860 6.004 56.220 1.00 50.71 O +ATOM 1060 N GLN A 161 -25.605 7.287 55.652 1.00 48.60 N +ATOM 1061 CA GLN A 161 -25.557 8.004 56.932 1.00 51.32 C +ATOM 1062 C GLN A 161 -25.985 7.070 58.064 1.00 51.10 C +ATOM 1063 O GLN A 161 -26.905 6.267 57.892 1.00 50.28 O +ATOM 1064 CB GLN A 161 -26.450 9.252 56.895 1.00 50.68 C +ATOM 1065 CG GLN A 161 -25.905 10.318 55.929 1.00 48.48 C +ATOM 1066 CD GLN A 161 -26.737 11.601 55.910 1.00 45.96 C +ATOM 1067 OE1 GLN A 161 -27.794 11.736 56.486 1.00 45.06 O +ATOM 1068 NE2 GLN A 161 -26.282 12.617 55.208 1.00 42.27 N +ATOM 1069 N ASN A 162 -25.341 7.232 59.210 1.00 53.79 N +ATOM 1070 CA ASN A 162 -25.725 6.493 60.404 1.00 56.16 C +ATOM 1071 C ASN A 162 -27.207 6.733 60.730 1.00 55.01 C +ATOM 1072 O ASN A 162 -27.743 7.825 60.517 1.00 53.47 O +ATOM 1073 CB ASN A 162 -24.812 6.887 61.588 1.00 54.90 C +ATOM 1074 CG ASN A 162 -23.355 6.472 61.404 1.00 51.91 C +ATOM 1075 OD1 ASN A 162 -22.925 6.091 60.334 1.00 49.76 O +ATOM 1076 ND2 ASN A 162 -22.558 6.548 62.430 1.00 48.28 N +ATOM 1077 N GLY A 163 -27.842 5.707 61.235 1.00 51.40 N +ATOM 1078 CA GLY A 163 -29.197 5.846 61.756 1.00 52.02 C +ATOM 1079 C GLY A 163 -29.250 6.879 62.885 1.00 51.94 C +ATOM 1080 O GLY A 163 -28.295 7.055 63.631 1.00 51.10 O +ATOM 1081 N GLN A 164 -30.382 7.547 62.964 1.00 47.74 N +ATOM 1082 CA GLN A 164 -30.592 8.456 64.086 1.00 50.21 C +ATOM 1083 C GLN A 164 -30.650 7.670 65.397 1.00 49.90 C +ATOM 1084 O GLN A 164 -31.179 6.559 65.435 1.00 49.32 O +ATOM 1085 CB GLN A 164 -31.882 9.275 63.894 1.00 49.78 C +ATOM 1086 CG GLN A 164 -31.749 10.277 62.729 1.00 47.17 C +ATOM 1087 CD GLN A 164 -33.002 11.133 62.527 1.00 44.94 C +ATOM 1088 OE1 GLN A 164 -34.072 10.917 63.064 1.00 44.11 O +ATOM 1089 NE2 GLN A 164 -32.919 12.153 61.707 1.00 41.46 N +ATOM 1090 N ASP A 165 -30.138 8.289 66.428 1.00 50.45 N +ATOM 1091 CA ASP A 165 -30.223 7.717 67.765 1.00 52.59 C +ATOM 1092 C ASP A 165 -31.679 7.438 68.156 1.00 51.62 C +ATOM 1093 O ASP A 165 -32.615 8.153 67.771 1.00 50.81 O +ATOM 1094 CB ASP A 165 -29.566 8.652 68.789 1.00 51.92 C +ATOM 1095 CG ASP A 165 -28.065 8.867 68.574 1.00 49.93 C +ATOM 1096 OD1 ASP A 165 -27.440 8.015 67.886 1.00 47.99 O +ATOM 1097 OD2 ASP A 165 -27.554 9.894 69.069 1.00 47.23 O +ATOM 1098 N GLY A 166 -31.855 6.381 68.888 1.00 48.88 N +ATOM 1099 CA GLY A 166 -33.160 6.080 69.451 1.00 49.44 C +ATOM 1100 C GLY A 166 -33.647 7.205 70.377 1.00 49.75 C +ATOM 1101 O GLY A 166 -32.856 7.846 71.070 1.00 48.80 O +ATOM 1102 N LEU A 167 -34.944 7.421 70.385 1.00 46.60 N +ATOM 1103 CA LEU A 167 -35.524 8.393 71.314 1.00 49.26 C +ATOM 1104 C LEU A 167 -35.270 7.950 72.772 1.00 48.21 C +ATOM 1105 O LEU A 167 -35.328 6.750 73.051 1.00 48.32 O +ATOM 1106 CB LEU A 167 -37.037 8.559 71.060 1.00 49.34 C +ATOM 1107 CG LEU A 167 -37.389 9.202 69.706 1.00 47.37 C +ATOM 1108 CD1 LEU A 167 -38.907 9.184 69.519 1.00 46.37 C +ATOM 1109 CD2 LEU A 167 -36.920 10.653 69.594 1.00 45.90 C +ATOM 1110 N PRO A 168 -35.055 8.909 73.658 1.00 50.62 N +ATOM 1111 CA PRO A 168 -34.956 8.604 75.088 1.00 51.72 C +ATOM 1112 C PRO A 168 -36.152 7.783 75.577 1.00 50.19 C +ATOM 1113 O PRO A 168 -37.290 7.962 75.132 1.00 50.45 O +ATOM 1114 CB PRO A 168 -34.873 9.958 75.802 1.00 52.62 C +ATOM 1115 CG PRO A 168 -34.255 10.879 74.754 1.00 51.20 C +ATOM 1116 CD PRO A 168 -34.811 10.342 73.446 1.00 52.97 C +ATOM 1117 N GLY A 169 -35.874 6.893 76.485 1.00 48.84 N +ATOM 1118 CA GLY A 169 -36.933 6.161 77.167 1.00 49.73 C +ATOM 1119 C GLY A 169 -37.885 7.115 77.897 1.00 50.38 C +ATOM 1120 O GLY A 169 -37.484 8.186 78.350 1.00 49.44 O +ATOM 1121 N LYS A 170 -39.153 6.714 77.990 1.00 48.47 N +ATOM 1122 CA LYS A 170 -40.120 7.504 78.769 1.00 51.33 C +ATOM 1123 C LYS A 170 -39.747 7.478 80.247 1.00 50.56 C +ATOM 1124 O LYS A 170 -39.336 6.435 80.750 1.00 50.07 O +ATOM 1125 CB LYS A 170 -41.552 6.982 78.578 1.00 51.00 C +ATOM 1126 CG LYS A 170 -42.049 7.169 77.138 1.00 47.77 C +ATOM 1127 CD LYS A 170 -43.500 6.708 77.008 1.00 46.23 C +ATOM 1128 CE LYS A 170 -43.958 6.911 75.555 1.00 43.91 C +ATOM 1129 NZ LYS A 170 -45.365 6.502 75.350 1.00 40.11 N +ATOM 1130 N ASP A 171 -39.969 8.590 80.874 1.00 50.73 N +ATOM 1131 CA ASP A 171 -39.794 8.683 82.319 1.00 52.68 C +ATOM 1132 C ASP A 171 -40.594 7.604 83.051 1.00 51.24 C +ATOM 1133 O ASP A 171 -41.674 7.173 82.630 1.00 50.64 O +ATOM 1134 CB ASP A 171 -40.189 10.087 82.810 1.00 52.47 C +ATOM 1135 CG ASP A 171 -39.356 11.211 82.200 1.00 49.71 C +ATOM 1136 OD1 ASP A 171 -38.225 10.928 81.737 1.00 47.75 O +ATOM 1137 OD2 ASP A 171 -39.878 12.342 82.152 1.00 47.28 O +ATOM 1138 N GLY A 172 -40.013 7.145 84.127 1.00 49.71 N +ATOM 1139 CA GLY A 172 -40.706 6.229 85.022 1.00 50.48 C +ATOM 1140 C GLY A 172 -41.987 6.867 85.587 1.00 50.82 C +ATOM 1141 O GLY A 172 -42.087 8.084 85.697 1.00 49.55 O +ATOM 1142 N LYS A 173 -42.955 6.019 85.890 1.00 48.08 N +ATOM 1143 CA LYS A 173 -44.172 6.525 86.544 1.00 50.64 C +ATOM 1144 C LYS A 173 -43.838 7.023 87.943 1.00 49.85 C +ATOM 1145 O LYS A 173 -43.111 6.341 88.665 1.00 49.43 O +ATOM 1146 CB LYS A 173 -45.256 5.442 86.623 1.00 50.51 C +ATOM 1147 CG LYS A 173 -45.780 5.028 85.245 1.00 46.91 C +ATOM 1148 CD LYS A 173 -46.888 3.984 85.415 1.00 45.51 C +ATOM 1149 CE LYS A 173 -47.418 3.542 84.051 1.00 42.67 C +ATOM 1150 NZ LYS A 173 -48.476 2.505 84.186 1.00 39.61 N +ATOM 1151 N ASP A 174 -44.433 8.134 88.268 1.00 49.23 N +ATOM 1152 CA ASP A 174 -44.332 8.659 89.628 1.00 51.17 C +ATOM 1153 C ASP A 174 -44.748 7.611 90.663 1.00 50.04 C +ATOM 1154 O ASP A 174 -45.628 6.763 90.427 1.00 49.54 O +ATOM 1155 CB ASP A 174 -45.192 9.929 89.787 1.00 50.89 C +ATOM 1156 CG ASP A 174 -44.834 11.049 88.818 1.00 47.53 C +ATOM 1157 OD1 ASP A 174 -43.706 11.019 88.280 1.00 45.59 O +ATOM 1158 OD2 ASP A 174 -45.731 11.879 88.558 1.00 45.01 O +ATOM 1159 N GLY A 175 -44.098 7.664 91.806 1.00 47.87 N +ATOM 1160 CA GLY A 175 -44.463 6.834 92.943 1.00 48.41 C +ATOM 1161 C GLY A 175 -45.912 7.086 93.379 1.00 48.83 C +ATOM 1162 O GLY A 175 -46.433 8.192 93.266 1.00 47.75 O +ATOM 1163 N GLN A 176 -46.556 6.042 93.836 1.00 45.52 N +ATOM 1164 CA GLN A 176 -47.895 6.227 94.396 1.00 47.52 C +ATOM 1165 C GLN A 176 -47.808 7.018 95.702 1.00 47.32 C +ATOM 1166 O GLN A 176 -47.015 6.672 96.577 1.00 46.80 O +ATOM 1167 CB GLN A 176 -48.595 4.876 94.627 1.00 47.38 C +ATOM 1168 CG GLN A 176 -48.925 4.161 93.303 1.00 44.31 C +ATOM 1169 CD GLN A 176 -49.699 2.863 93.497 1.00 42.29 C +ATOM 1170 OE1 GLN A 176 -49.939 2.358 94.574 1.00 40.54 O +ATOM 1171 NE2 GLN A 176 -50.136 2.246 92.414 1.00 39.02 N +ATOM 1172 N ASN A 177 -48.649 8.024 95.787 1.00 49.08 N +ATOM 1173 CA ASN A 177 -48.746 8.795 97.024 1.00 50.18 C +ATOM 1174 C ASN A 177 -49.073 7.876 98.209 1.00 48.73 C +ATOM 1175 O ASN A 177 -49.872 6.936 98.106 1.00 48.32 O +ATOM 1176 CB ASN A 177 -49.816 9.899 96.880 1.00 50.07 C +ATOM 1177 CG ASN A 177 -49.455 10.976 95.864 1.00 45.88 C +ATOM 1178 OD1 ASN A 177 -48.418 10.955 95.234 1.00 43.73 O +ATOM 1179 ND2 ASN A 177 -50.314 11.946 95.637 1.00 42.85 N +ATOM 1180 N GLY A 178 -48.462 8.179 99.309 1.00 47.04 N +ATOM 1181 CA GLY A 178 -48.784 7.505 100.553 1.00 47.64 C +ATOM 1182 C GLY A 178 -50.267 7.686 100.922 1.00 47.79 C +ATOM 1183 O GLY A 178 -50.866 8.720 100.641 1.00 46.20 O +ATOM 1184 N LYS A 179 -50.869 6.658 101.490 1.00 46.65 N +ATOM 1185 CA LYS A 179 -52.240 6.780 102.013 1.00 49.12 C +ATOM 1186 C LYS A 179 -52.266 7.780 103.167 1.00 48.66 C +ATOM 1187 O LYS A 179 -51.349 7.778 103.987 1.00 47.51 O +ATOM 1188 CB LYS A 179 -52.781 5.418 102.478 1.00 49.12 C +ATOM 1189 CG LYS A 179 -53.016 4.446 101.328 1.00 45.66 C +ATOM 1190 CD LYS A 179 -53.607 3.126 101.842 1.00 43.95 C +ATOM 1191 CE LYS A 179 -53.834 2.159 100.681 1.00 41.60 C +ATOM 1192 NZ LYS A 179 -54.359 0.858 101.152 1.00 38.07 N +ATOM 1193 N ASP A 180 -53.317 8.580 103.196 1.00 47.21 N +ATOM 1194 CA ASP A 180 -53.523 9.606 104.214 1.00 49.18 C +ATOM 1195 C ASP A 180 -53.248 9.099 105.633 1.00 48.52 C +ATOM 1196 O ASP A 180 -53.925 8.202 106.156 1.00 46.57 O +ATOM 1197 CB ASP A 180 -54.962 10.163 104.142 1.00 48.07 C +ATOM 1198 CG ASP A 180 -55.259 10.903 102.842 1.00 44.42 C +ATOM 1199 OD1 ASP A 180 -54.363 11.652 102.387 1.00 41.78 O +ATOM 1200 OD2 ASP A 180 -56.369 10.710 102.308 1.00 40.47 O +ATOM 1201 N GLY A 181 -52.212 9.720 106.227 1.00 45.99 N +ATOM 1202 CA GLY A 181 -51.679 9.380 107.538 1.00 47.73 C +ATOM 1203 C GLY A 181 -50.265 9.959 107.699 1.00 47.72 C +ATOM 1204 O GLY A 181 -49.694 10.414 106.711 1.00 45.71 O +ATOM 1205 N PRO A 182 -49.627 9.941 108.860 1.00 48.05 N +ATOM 1206 CA PRO A 182 -48.299 10.545 109.062 1.00 50.98 C +ATOM 1207 C PRO A 182 -47.147 9.733 108.417 1.00 50.93 C +ATOM 1208 O PRO A 182 -46.023 9.696 108.919 1.00 49.88 O +ATOM 1209 CB PRO A 182 -48.168 10.714 110.589 1.00 51.65 C +ATOM 1210 CG PRO A 182 -48.973 9.540 111.128 1.00 49.39 C +ATOM 1211 CD PRO A 182 -50.139 9.421 110.138 1.00 50.80 C +ATOM 1212 N GLY A 183 -47.402 9.049 107.288 1.00 45.70 N +ATOM 1213 CA GLY A 183 -46.449 8.309 106.472 1.00 47.30 C +ATOM 1214 C GLY A 183 -45.734 9.218 105.468 1.00 48.58 C +ATOM 1215 O GLY A 183 -46.311 10.186 104.994 1.00 46.56 O +ATOM 1216 N LYS A 184 -44.437 8.899 105.126 1.00 46.09 N +ATOM 1217 CA LYS A 184 -43.666 9.614 104.095 1.00 49.51 C +ATOM 1218 C LYS A 184 -44.221 9.289 102.715 1.00 50.26 C +ATOM 1219 O LYS A 184 -44.541 8.131 102.452 1.00 49.54 O +ATOM 1220 CB LYS A 184 -42.171 9.237 104.166 1.00 49.42 C +ATOM 1221 CG LYS A 184 -41.507 9.709 105.462 1.00 45.19 C +ATOM 1222 CD LYS A 184 -40.016 9.358 105.453 1.00 43.79 C +ATOM 1223 CE LYS A 184 -39.361 9.856 106.750 1.00 40.86 C +ATOM 1224 NZ LYS A 184 -37.912 9.556 106.787 1.00 38.27 N +ATOM 1225 N ASP A 185 -44.230 10.296 101.789 1.00 48.10 N +ATOM 1226 CA ASP A 185 -44.578 10.119 100.385 1.00 51.08 C +ATOM 1227 C ASP A 185 -43.723 9.025 99.735 1.00 51.23 C +ATOM 1228 O ASP A 185 -42.569 8.777 100.131 1.00 50.85 O +ATOM 1229 CB ASP A 185 -44.447 11.457 99.633 1.00 50.95 C +ATOM 1230 CG ASP A 185 -45.331 12.568 100.212 1.00 47.09 C +ATOM 1231 OD1 ASP A 185 -46.367 12.230 100.822 1.00 45.09 O +ATOM 1232 OD2 ASP A 185 -44.920 13.743 100.110 1.00 44.43 O +ATOM 1233 N GLY A 186 -44.315 8.342 98.804 1.00 48.24 N +ATOM 1234 CA GLY A 186 -43.590 7.370 97.993 1.00 49.46 C +ATOM 1235 C GLY A 186 -42.439 8.034 97.233 1.00 49.53 C +ATOM 1236 O GLY A 186 -42.514 9.209 96.893 1.00 48.42 O +ATOM 1237 N LYS A 187 -41.344 7.296 96.978 1.00 50.67 N +ATOM 1238 CA LYS A 187 -40.247 7.817 96.152 1.00 53.64 C +ATOM 1239 C LYS A 187 -40.687 7.856 94.700 1.00 53.39 C +ATOM 1240 O LYS A 187 -41.284 6.891 94.225 1.00 52.65 O +ATOM 1241 CB LYS A 187 -38.981 6.963 96.291 1.00 53.33 C +ATOM 1242 CG LYS A 187 -38.350 7.045 97.686 1.00 49.09 C +ATOM 1243 CD LYS A 187 -37.047 6.247 97.698 1.00 47.75 C +ATOM 1244 CE LYS A 187 -36.381 6.315 99.070 1.00 44.61 C +ATOM 1245 NZ LYS A 187 -35.102 5.566 99.079 1.00 41.43 N +ATOM 1246 N ASP A 188 -40.292 8.919 93.951 1.00 54.83 N +ATOM 1247 CA ASP A 188 -40.498 9.035 92.514 1.00 57.16 C +ATOM 1248 C ASP A 188 -39.895 7.844 91.763 1.00 56.73 C +ATOM 1249 O ASP A 188 -38.893 7.242 92.186 1.00 55.02 O +ATOM 1250 CB ASP A 188 -39.912 10.359 91.987 1.00 56.21 C +ATOM 1251 CG ASP A 188 -40.479 11.601 92.675 1.00 52.24 C +ATOM 1252 OD1 ASP A 188 -41.593 11.496 93.243 1.00 50.04 O +ATOM 1253 OD2 ASP A 188 -39.752 12.610 92.716 1.00 49.02 O +ATOM 1254 N GLY A 189 -40.525 7.475 90.680 1.00 54.16 N +ATOM 1255 CA GLY A 189 -40.010 6.451 89.780 1.00 54.61 C +ATOM 1256 C GLY A 189 -38.661 6.864 89.172 1.00 54.64 C +ATOM 1257 O GLY A 189 -38.371 8.042 89.000 1.00 53.09 O +ATOM 1258 N GLN A 190 -37.820 5.887 88.842 1.00 50.63 N +ATOM 1259 CA GLN A 190 -36.582 6.163 88.122 1.00 53.30 C +ATOM 1260 C GLN A 190 -36.880 6.459 86.650 1.00 53.31 C +ATOM 1261 O GLN A 190 -37.705 5.773 86.046 1.00 51.92 O +ATOM 1262 CB GLN A 190 -35.587 4.990 88.233 1.00 52.72 C +ATOM 1263 CG GLN A 190 -35.070 4.813 89.676 1.00 49.50 C +ATOM 1264 CD GLN A 190 -34.026 3.709 89.809 1.00 46.81 C +ATOM 1265 OE1 GLN A 190 -33.744 2.911 88.931 1.00 45.15 O +ATOM 1266 NE2 GLN A 190 -33.407 3.588 90.965 1.00 42.69 N +ATOM 1267 N ASN A 191 -36.159 7.418 86.077 1.00 59.07 N +ATOM 1268 CA ASN A 191 -36.250 7.716 84.655 1.00 60.96 C +ATOM 1269 C ASN A 191 -35.952 6.471 83.816 1.00 60.04 C +ATOM 1270 O ASN A 191 -35.136 5.617 84.192 1.00 57.80 O +ATOM 1271 CB ASN A 191 -35.300 8.880 84.289 1.00 59.30 C +ATOM 1272 CG ASN A 191 -35.660 10.199 84.938 1.00 54.70 C +ATOM 1273 OD1 ASN A 191 -36.520 10.294 85.803 1.00 52.41 O +ATOM 1274 ND2 ASN A 191 -34.999 11.264 84.579 1.00 50.73 N +ATOM 1275 N GLY A 192 -36.584 6.368 82.663 1.00 56.53 N +ATOM 1276 CA GLY A 192 -36.288 5.349 81.666 1.00 56.71 C +ATOM 1277 C GLY A 192 -34.850 5.460 81.167 1.00 56.87 C +ATOM 1278 O GLY A 192 -34.259 6.538 81.166 1.00 55.31 O +ATOM 1279 N LYS A 193 -34.271 4.340 80.742 1.00 53.88 N +ATOM 1280 CA LYS A 193 -32.942 4.351 80.112 1.00 57.20 C +ATOM 1281 C LYS A 193 -33.050 4.927 78.711 1.00 56.87 C +ATOM 1282 O LYS A 193 -34.020 4.649 78.010 1.00 55.57 O +ATOM 1283 CB LYS A 193 -32.330 2.948 80.062 1.00 56.26 C +ATOM 1284 CG LYS A 193 -32.031 2.392 81.456 1.00 52.26 C +ATOM 1285 CD LYS A 193 -31.362 1.017 81.336 1.00 50.59 C +ATOM 1286 CE LYS A 193 -31.075 0.453 82.736 1.00 47.89 C +ATOM 1287 NZ LYS A 193 -30.435 -0.875 82.663 1.00 43.26 N +ATOM 1288 N ASP A 194 -31.999 5.634 78.260 1.00 59.42 N +ATOM 1289 CA ASP A 194 -31.884 6.128 76.899 1.00 61.59 C +ATOM 1290 C ASP A 194 -31.992 4.988 75.887 1.00 61.21 C +ATOM 1291 O ASP A 194 -31.589 3.842 76.146 1.00 58.42 O +ATOM 1292 CB ASP A 194 -30.566 6.906 76.717 1.00 59.33 C +ATOM 1293 CG ASP A 194 -30.440 8.105 77.645 1.00 56.06 C +ATOM 1294 OD1 ASP A 194 -31.488 8.597 78.126 1.00 53.80 O +ATOM 1295 OD2 ASP A 194 -29.285 8.490 77.931 1.00 52.11 O +ATOM 1296 N GLY A 195 -32.544 5.287 74.738 1.00 56.15 N +ATOM 1297 CA GLY A 195 -32.574 4.368 73.604 1.00 56.40 C +ATOM 1298 C GLY A 195 -31.164 4.033 73.121 1.00 56.49 C +ATOM 1299 O GLY A 195 -30.242 4.845 73.218 1.00 55.15 O +ATOM 1300 N LEU A 196 -30.986 2.834 72.561 1.00 53.53 N +ATOM 1301 CA LEU A 196 -29.718 2.474 71.927 1.00 55.88 C +ATOM 1302 C LEU A 196 -29.525 3.287 70.642 1.00 54.72 C +ATOM 1303 O LEU A 196 -30.508 3.505 69.928 1.00 53.85 O +ATOM 1304 CB LEU A 196 -29.661 0.967 71.634 1.00 55.38 C +ATOM 1305 CG LEU A 196 -29.631 0.067 72.890 1.00 52.64 C +ATOM 1306 CD1 LEU A 196 -29.713 -1.400 72.468 1.00 51.30 C +ATOM 1307 CD2 LEU A 196 -28.354 0.254 73.715 1.00 50.47 C +ATOM 1308 N PRO A 197 -28.266 3.662 70.260 1.00 59.80 N +ATOM 1309 CA PRO A 197 -27.965 4.292 68.977 1.00 61.43 C +ATOM 1310 C PRO A 197 -28.497 3.462 67.799 1.00 60.25 C +ATOM 1311 O PRO A 197 -28.525 2.226 67.850 1.00 58.83 O +ATOM 1312 CB PRO A 197 -26.443 4.441 68.911 1.00 60.63 C +ATOM 1313 CG PRO A 197 -26.036 4.520 70.377 1.00 56.67 C +ATOM 1314 CD PRO A 197 -27.036 3.608 71.065 1.00 57.65 C +ATOM 1315 N GLY A 198 -28.906 4.137 66.745 1.00 57.83 N +ATOM 1316 CA GLY A 198 -29.249 3.494 65.482 1.00 58.50 C +ATOM 1317 C GLY A 198 -28.059 2.736 64.892 1.00 58.75 C +ATOM 1318 O GLY A 198 -26.905 3.073 65.139 1.00 57.36 O +ATOM 1319 N LYS A 199 -28.336 1.684 64.106 1.00 56.57 N +ATOM 1320 CA LYS A 199 -27.274 0.973 63.380 1.00 60.10 C +ATOM 1321 C LYS A 199 -26.778 1.830 62.220 1.00 59.25 C +ATOM 1322 O LYS A 199 -27.589 2.471 61.557 1.00 57.58 O +ATOM 1323 CB LYS A 199 -27.762 -0.385 62.858 1.00 58.65 C +ATOM 1324 CG LYS A 199 -28.082 -1.364 63.995 1.00 55.29 C +ATOM 1325 CD LYS A 199 -28.477 -2.720 63.412 1.00 53.15 C +ATOM 1326 CE LYS A 199 -28.801 -3.689 64.559 1.00 50.93 C +ATOM 1327 NZ LYS A 199 -29.174 -5.026 64.051 1.00 45.47 N +ATOM 1328 N ASP A 200 -25.475 1.729 61.906 1.00 60.00 N +ATOM 1329 CA ASP A 200 -24.872 2.370 60.746 1.00 62.96 C +ATOM 1330 C ASP A 200 -25.588 1.950 59.454 1.00 61.70 C +ATOM 1331 O ASP A 200 -26.077 0.827 59.309 1.00 58.44 O +ATOM 1332 CB ASP A 200 -23.364 2.040 60.674 1.00 60.67 C +ATOM 1333 CG ASP A 200 -22.578 2.493 61.910 1.00 57.27 C +ATOM 1334 OD1 ASP A 200 -23.053 3.426 62.607 1.00 55.15 O +ATOM 1335 OD2 ASP A 200 -21.537 1.871 62.192 1.00 53.20 O +ATOM 1336 N GLY A 201 -25.664 2.893 58.504 1.00 58.14 N +ATOM 1337 CA GLY A 201 -26.145 2.620 57.158 1.00 58.68 C +ATOM 1338 C GLY A 201 -25.243 1.614 56.440 1.00 58.40 C +ATOM 1339 O GLY A 201 -24.070 1.462 56.758 1.00 56.90 O +ATOM 1340 N LYS A 202 -25.799 0.892 55.448 1.00 58.19 N +ATOM 1341 CA LYS A 202 -24.989 0.022 54.590 1.00 61.31 C +ATOM 1342 C LYS A 202 -24.197 0.869 53.601 1.00 59.57 C +ATOM 1343 O LYS A 202 -24.721 1.855 53.085 1.00 57.58 O +ATOM 1344 CB LYS A 202 -25.867 -0.976 53.819 1.00 60.00 C +ATOM 1345 CG LYS A 202 -26.554 -1.990 54.746 1.00 56.59 C +ATOM 1346 CD LYS A 202 -27.341 -2.991 53.892 1.00 55.24 C +ATOM 1347 CE LYS A 202 -28.036 -4.019 54.785 1.00 52.90 C +ATOM 1348 NZ LYS A 202 -28.790 -4.989 53.972 1.00 47.34 N +ATOM 1349 N ASP A 203 -22.984 0.409 53.259 1.00 59.91 N +ATOM 1350 CA ASP A 203 -22.153 1.017 52.224 1.00 62.25 C +ATOM 1351 C ASP A 203 -22.910 1.104 50.894 1.00 60.80 C +ATOM 1352 O ASP A 203 -23.732 0.243 50.539 1.00 57.72 O +ATOM 1353 CB ASP A 203 -20.837 0.224 52.045 1.00 60.25 C +ATOM 1354 CG ASP A 203 -20.032 0.057 53.335 1.00 57.06 C +ATOM 1355 OD1 ASP A 203 -20.313 0.802 54.311 1.00 54.79 O +ATOM 1356 OD2 ASP A 203 -19.220 -0.890 53.384 1.00 52.97 O +ATOM 1357 N GLY A 204 -22.647 2.175 50.148 1.00 58.07 N +ATOM 1358 CA GLY A 204 -23.149 2.321 48.786 1.00 58.30 C +ATOM 1359 C GLY A 204 -22.597 1.223 47.864 1.00 58.22 C +ATOM 1360 O GLY A 204 -21.496 0.723 48.056 1.00 56.62 O +ATOM 1361 N GLN A 205 -23.369 0.847 46.831 1.00 56.20 N +ATOM 1362 CA GLN A 205 -22.874 -0.074 45.798 1.00 58.74 C +ATOM 1363 C GLN A 205 -21.932 0.657 44.839 1.00 58.03 C +ATOM 1364 O GLN A 205 -22.166 1.817 44.497 1.00 55.56 O +ATOM 1365 CB GLN A 205 -24.040 -0.711 45.025 1.00 57.41 C +ATOM 1366 CG GLN A 205 -24.859 -1.662 45.910 1.00 54.25 C +ATOM 1367 CD GLN A 205 -25.976 -2.382 45.161 1.00 51.02 C +ATOM 1368 OE1 GLN A 205 -26.307 -2.138 44.010 1.00 50.34 O +ATOM 1369 NE2 GLN A 205 -26.634 -3.324 45.804 1.00 46.54 N +ATOM 1370 N ASP A 206 -20.912 -0.054 44.348 1.00 62.05 N +ATOM 1371 CA ASP A 206 -20.006 0.457 43.327 1.00 64.28 C +ATOM 1372 C ASP A 206 -20.771 0.872 42.061 1.00 63.14 C +ATOM 1373 O ASP A 206 -21.772 0.260 41.664 1.00 59.79 O +ATOM 1374 CB ASP A 206 -18.936 -0.595 42.966 1.00 62.08 C +ATOM 1375 CG ASP A 206 -18.010 -0.959 44.125 1.00 59.03 C +ATOM 1376 OD1 ASP A 206 -17.927 -0.162 45.092 1.00 57.19 O +ATOM 1377 OD2 ASP A 206 -17.389 -2.044 44.041 1.00 55.21 O +ATOM 1378 N GLY A 207 -20.278 1.918 41.390 1.00 61.54 N +ATOM 1379 CA GLY A 207 -20.782 2.322 40.090 1.00 61.68 C +ATOM 1380 C GLY A 207 -20.587 1.209 39.054 1.00 61.71 C +ATOM 1381 O GLY A 207 -19.627 0.445 39.094 1.00 59.95 O +ATOM 1382 N LYS A 208 -21.504 1.120 38.056 1.00 59.78 N +ATOM 1383 CA LYS A 208 -21.350 0.187 36.932 1.00 63.43 C +ATOM 1384 C LYS A 208 -20.232 0.661 36.003 1.00 63.47 C +ATOM 1385 O LYS A 208 -20.064 1.856 35.790 1.00 61.15 O +ATOM 1386 CB LYS A 208 -22.662 0.027 36.157 1.00 61.28 C +ATOM 1387 CG LYS A 208 -23.751 -0.658 36.994 1.00 57.63 C +ATOM 1388 CD LYS A 208 -25.014 -0.847 36.165 1.00 56.29 C +ATOM 1389 CE LYS A 208 -26.101 -1.502 37.019 1.00 53.16 C +ATOM 1390 NZ LYS A 208 -27.363 -1.681 36.263 1.00 47.65 N +ATOM 1391 N ASP A 209 -19.531 -0.288 35.379 1.00 64.24 N +ATOM 1392 CA ASP A 209 -18.542 -0.011 34.341 1.00 65.98 C +ATOM 1393 C ASP A 209 -19.140 0.823 33.207 1.00 65.50 C +ATOM 1394 O ASP A 209 -20.295 0.629 32.806 1.00 61.93 O +ATOM 1395 CB ASP A 209 -18.006 -1.317 33.744 1.00 63.62 C +ATOM 1396 CG ASP A 209 -17.237 -2.210 34.710 1.00 60.92 C +ATOM 1397 OD1 ASP A 209 -16.836 -1.716 35.780 1.00 58.72 O +ATOM 1398 OD2 ASP A 209 -17.024 -3.381 34.310 1.00 56.25 O +ATOM 1399 N GLY A 210 -18.330 1.719 32.621 1.00 61.79 N +ATOM 1400 CA GLY A 210 -18.676 2.395 31.384 1.00 61.70 C +ATOM 1401 C GLY A 210 -18.859 1.402 30.226 1.00 62.16 C +ATOM 1402 O GLY A 210 -18.233 0.345 30.187 1.00 60.69 O +ATOM 1403 N LEU A 211 -19.730 1.751 29.264 1.00 58.40 N +ATOM 1404 CA LEU A 211 -19.874 0.964 28.042 1.00 61.58 C +ATOM 1405 C LEU A 211 -18.591 1.060 27.187 1.00 61.11 C +ATOM 1406 O LEU A 211 -17.967 2.123 27.176 1.00 59.91 O +ATOM 1407 CB LEU A 211 -21.111 1.419 27.247 1.00 60.48 C +ATOM 1408 CG LEU A 211 -22.456 1.160 27.950 1.00 57.33 C +ATOM 1409 CD1 LEU A 211 -23.595 1.769 27.133 1.00 55.88 C +ATOM 1410 CD2 LEU A 211 -22.747 -0.332 28.123 1.00 54.28 C +ATOM 1411 N PRO A 212 -18.209 -0.002 26.444 1.00 63.90 N +ATOM 1412 CA PRO A 212 -17.124 0.063 25.474 1.00 66.12 C +ATOM 1413 C PRO A 212 -17.339 1.196 24.461 1.00 64.87 C +ATOM 1414 O PRO A 212 -18.477 1.504 24.100 1.00 62.93 O +ATOM 1415 CB PRO A 212 -17.093 -1.305 24.779 1.00 65.29 C +ATOM 1416 CG PRO A 212 -17.749 -2.245 25.790 1.00 61.85 C +ATOM 1417 CD PRO A 212 -18.772 -1.353 26.485 1.00 63.32 C +ATOM 1418 N GLY A 213 -16.243 1.811 24.011 1.00 62.31 N +ATOM 1419 CA GLY A 213 -16.283 2.740 22.882 1.00 62.70 C +ATOM 1420 C GLY A 213 -16.743 2.037 21.603 1.00 63.28 C +ATOM 1421 O GLY A 213 -16.613 0.830 21.467 1.00 61.99 O +ATOM 1422 N LYS A 214 -17.304 2.809 20.647 1.00 60.47 N +ATOM 1423 CA LYS A 214 -17.625 2.277 19.313 1.00 64.12 C +ATOM 1424 C LYS A 214 -16.337 2.080 18.513 1.00 63.75 C +ATOM 1425 O LYS A 214 -15.405 2.865 18.642 1.00 61.62 O +ATOM 1426 CB LYS A 214 -18.561 3.219 18.550 1.00 62.36 C +ATOM 1427 CG LYS A 214 -19.953 3.351 19.187 1.00 58.73 C +ATOM 1428 CD LYS A 214 -20.772 4.326 18.337 1.00 56.91 C +ATOM 1429 CE LYS A 214 -22.086 4.699 18.989 1.00 53.76 C +ATOM 1430 NZ LYS A 214 -22.602 5.949 18.387 1.00 48.12 N +ATOM 1431 N ASP A 215 -16.361 1.089 17.620 1.00 66.10 N +ATOM 1432 CA ASP A 215 -15.267 0.828 16.691 1.00 67.48 C +ATOM 1433 C ASP A 215 -14.990 2.070 15.830 1.00 66.92 C +ATOM 1434 O ASP A 215 -15.901 2.788 15.402 1.00 63.68 O +ATOM 1435 CB ASP A 215 -15.595 -0.379 15.790 1.00 65.06 C +ATOM 1436 CG ASP A 215 -15.998 -1.658 16.534 1.00 61.73 C +ATOM 1437 OD1 ASP A 215 -15.991 -1.651 17.790 1.00 59.02 O +ATOM 1438 OD2 ASP A 215 -16.442 -2.599 15.852 1.00 57.14 O +ATOM 1439 N GLY A 216 -13.705 2.345 15.591 1.00 64.14 N +ATOM 1440 CA GLY A 216 -13.301 3.377 14.641 1.00 64.25 C +ATOM 1441 C GLY A 216 -13.732 3.019 13.215 1.00 64.62 C +ATOM 1442 O GLY A 216 -13.792 1.853 12.836 1.00 63.12 O +ATOM 1443 N LYS A 217 -14.001 4.036 12.380 1.00 62.27 N +ATOM 1444 CA LYS A 217 -14.279 3.795 10.955 1.00 65.50 C +ATOM 1445 C LYS A 217 -13.004 3.405 10.213 1.00 64.97 C +ATOM 1446 O LYS A 217 -11.929 3.940 10.492 1.00 62.93 O +ATOM 1447 CB LYS A 217 -14.907 5.035 10.305 1.00 63.77 C +ATOM 1448 CG LYS A 217 -16.298 5.381 10.869 1.00 59.70 C +ATOM 1449 CD LYS A 217 -16.807 6.628 10.152 1.00 58.30 C +ATOM 1450 CE LYS A 217 -18.023 7.220 10.841 1.00 54.41 C +ATOM 1451 NZ LYS A 217 -18.071 8.683 10.596 1.00 48.78 N +ATOM 1452 N ASP A 218 -13.157 2.551 9.203 1.00 65.74 N +ATOM 1453 CA ASP A 218 -12.065 2.187 8.312 1.00 67.16 C +ATOM 1454 C ASP A 218 -11.468 3.424 7.626 1.00 66.83 C +ATOM 1455 O ASP A 218 -12.166 4.359 7.229 1.00 63.40 O +ATOM 1456 CB ASP A 218 -12.535 1.191 7.243 1.00 64.82 C +ATOM 1457 CG ASP A 218 -13.027 -0.140 7.806 1.00 61.87 C +ATOM 1458 OD1 ASP A 218 -12.648 -0.462 8.948 1.00 59.21 O +ATOM 1459 OD2 ASP A 218 -13.777 -0.814 7.071 1.00 56.86 O +ATOM 1460 N GLY A 219 -10.145 3.417 7.443 1.00 65.18 N +ATOM 1461 CA GLY A 219 -9.466 4.422 6.630 1.00 65.00 C +ATOM 1462 C GLY A 219 -9.914 4.360 5.163 1.00 65.56 C +ATOM 1463 O GLY A 219 -10.221 3.306 4.619 1.00 64.13 O +ATOM 1464 N LEU A 220 -9.933 5.521 4.491 1.00 61.84 N +ATOM 1465 CA LEU A 220 -10.241 5.556 3.063 1.00 64.67 C +ATOM 1466 C LEU A 220 -9.130 4.850 2.251 1.00 64.32 C +ATOM 1467 O LEU A 220 -7.950 5.017 2.576 1.00 62.92 O +ATOM 1468 CB LEU A 220 -10.437 7.001 2.580 1.00 63.37 C +ATOM 1469 CG LEU A 220 -11.679 7.709 3.159 1.00 60.04 C +ATOM 1470 CD1 LEU A 220 -11.699 9.164 2.683 1.00 57.86 C +ATOM 1471 CD2 LEU A 220 -12.992 7.056 2.713 1.00 56.60 C +ATOM 1472 N PRO A 221 -9.484 4.145 1.164 1.00 64.41 N +ATOM 1473 CA PRO A 221 -8.491 3.549 0.260 1.00 66.32 C +ATOM 1474 C PRO A 221 -7.503 4.594 -0.268 1.00 64.86 C +ATOM 1475 O PRO A 221 -7.886 5.716 -0.613 1.00 62.68 O +ATOM 1476 CB PRO A 221 -9.289 2.906 -0.882 1.00 65.51 C +ATOM 1477 CG PRO A 221 -10.662 2.628 -0.263 1.00 62.21 C +ATOM 1478 CD PRO A 221 -10.840 3.773 0.724 1.00 63.31 C +ATOM 1479 N GLY A 222 -6.235 4.211 -0.394 1.00 66.80 N +ATOM 1480 CA GLY A 222 -5.229 5.035 -1.059 1.00 66.80 C +ATOM 1481 C GLY A 222 -5.603 5.319 -2.522 1.00 67.45 C +ATOM 1482 O GLY A 222 -6.272 4.529 -3.179 1.00 65.86 O +ATOM 1483 N LYS A 223 -5.183 6.480 -3.048 1.00 61.89 N +ATOM 1484 CA LYS A 223 -5.355 6.785 -4.473 1.00 66.01 C +ATOM 1485 C LYS A 223 -4.423 5.912 -5.307 1.00 66.38 C +ATOM 1486 O LYS A 223 -3.304 5.645 -4.893 1.00 64.64 O +ATOM 1487 CB LYS A 223 -5.107 8.276 -4.757 1.00 63.80 C +ATOM 1488 CG LYS A 223 -6.169 9.175 -4.098 1.00 59.76 C +ATOM 1489 CD LYS A 223 -5.943 10.645 -4.467 1.00 57.46 C +ATOM 1490 CE LYS A 223 -6.997 11.517 -3.774 1.00 53.90 C +ATOM 1491 NZ LYS A 223 -6.839 12.954 -4.085 1.00 48.23 N +ATOM 1492 N ASP A 224 -4.876 5.553 -6.511 1.00 65.44 N +ATOM 1493 CA ASP A 224 -4.057 4.795 -7.448 1.00 67.39 C +ATOM 1494 C ASP A 224 -2.744 5.530 -7.769 1.00 66.32 C +ATOM 1495 O ASP A 224 -2.710 6.761 -7.855 1.00 62.80 O +ATOM 1496 CB ASP A 224 -4.830 4.535 -8.748 1.00 65.21 C +ATOM 1497 CG ASP A 224 -6.213 3.920 -8.546 1.00 61.82 C +ATOM 1498 OD1 ASP A 224 -6.395 3.143 -7.596 1.00 58.81 O +ATOM 1499 OD2 ASP A 224 -7.116 4.317 -9.328 1.00 56.76 O +ATOM 1500 N GLY A 225 -1.668 4.774 -7.977 1.00 68.40 N +ATOM 1501 CA GLY A 225 -0.409 5.319 -8.477 1.00 67.95 C +ATOM 1502 C GLY A 225 -0.584 5.984 -9.850 1.00 68.44 C +ATOM 1503 O GLY A 225 -1.454 5.611 -10.631 1.00 66.17 O +ATOM 1504 N LYS A 226 0.229 6.997 -10.140 1.00 61.19 N +ATOM 1505 CA LYS A 226 0.252 7.607 -11.476 1.00 65.43 C +ATOM 1506 C LYS A 226 0.918 6.654 -12.465 1.00 65.07 C +ATOM 1507 O LYS A 226 1.861 5.964 -12.100 1.00 63.43 O +ATOM 1508 CB LYS A 226 0.988 8.957 -11.463 1.00 63.46 C +ATOM 1509 CG LYS A 226 0.243 10.033 -10.656 1.00 59.04 C +ATOM 1510 CD LYS A 226 0.991 11.363 -10.751 1.00 57.03 C +ATOM 1511 CE LYS A 226 0.270 12.450 -9.949 1.00 53.27 C +ATOM 1512 NZ LYS A 226 0.977 13.751 -10.044 1.00 48.06 N +ATOM 1513 N ASP A 227 0.447 6.688 -13.716 1.00 64.71 N +ATOM 1514 CA ASP A 227 1.058 5.916 -14.793 1.00 66.76 C +ATOM 1515 C ASP A 227 2.543 6.273 -14.940 1.00 65.44 C +ATOM 1516 O ASP A 227 2.960 7.417 -14.749 1.00 61.67 O +ATOM 1517 CB ASP A 227 0.303 6.149 -16.108 1.00 64.77 C +ATOM 1518 CG ASP A 227 -1.186 5.789 -16.034 1.00 61.28 C +ATOM 1519 OD1 ASP A 227 -1.547 4.967 -15.170 1.00 58.06 O +ATOM 1520 OD2 ASP A 227 -1.966 6.414 -16.786 1.00 55.64 O +ATOM 1521 N GLY A 228 3.364 5.282 -15.283 1.00 64.26 N +ATOM 1522 CA GLY A 228 4.766 5.501 -15.615 1.00 63.92 C +ATOM 1523 C GLY A 228 4.919 6.467 -16.802 1.00 64.03 C +ATOM 1524 O GLY A 228 4.093 6.492 -17.702 1.00 61.68 O +ATOM 1525 N GLN A 229 5.971 7.280 -16.798 1.00 56.70 N +ATOM 1526 CA GLN A 229 6.251 8.123 -17.960 1.00 60.22 C +ATOM 1527 C GLN A 229 6.734 7.267 -19.139 1.00 59.14 C +ATOM 1528 O GLN A 229 7.497 6.326 -18.926 1.00 57.74 O +ATOM 1529 CB GLN A 229 7.267 9.224 -17.633 1.00 59.48 C +ATOM 1530 CG GLN A 229 6.676 10.276 -16.684 1.00 56.47 C +ATOM 1531 CD GLN A 229 7.542 11.519 -16.531 1.00 52.77 C +ATOM 1532 OE1 GLN A 229 8.661 11.633 -16.994 1.00 51.93 O +ATOM 1533 NE2 GLN A 229 7.044 12.540 -15.865 1.00 48.38 N +ATOM 1534 N PRO A 230 6.334 7.609 -20.388 1.00 60.30 N +ATOM 1535 CA PRO A 230 6.862 6.948 -21.572 1.00 62.18 C +ATOM 1536 C PRO A 230 8.395 6.990 -21.602 1.00 59.52 C +ATOM 1537 O PRO A 230 9.005 7.999 -21.259 1.00 57.68 O +ATOM 1538 CB PRO A 230 6.261 7.684 -22.780 1.00 62.59 C +ATOM 1539 CG PRO A 230 4.986 8.325 -22.214 1.00 58.88 C +ATOM 1540 CD PRO A 230 5.349 8.628 -20.762 1.00 59.47 C +ATOM 1541 N GLY A 231 9.009 5.905 -22.041 1.00 59.43 N +ATOM 1542 CA GLY A 231 10.449 5.870 -22.281 1.00 59.54 C +ATOM 1543 C GLY A 231 10.870 6.956 -23.277 1.00 59.29 C +ATOM 1544 O GLY A 231 10.139 7.293 -24.200 1.00 56.87 O +ATOM 1545 N LYS A 232 12.060 7.544 -23.079 1.00 53.69 N +ATOM 1546 CA LYS A 232 12.589 8.533 -24.019 1.00 58.60 C +ATOM 1547 C LYS A 232 12.817 7.875 -25.387 1.00 56.12 C +ATOM 1548 O LYS A 232 13.359 6.772 -25.423 1.00 55.56 O +ATOM 1549 CB LYS A 232 13.895 9.169 -23.506 1.00 58.29 C +ATOM 1550 CG LYS A 232 13.662 10.071 -22.292 1.00 55.28 C +ATOM 1551 CD LYS A 232 14.975 10.721 -21.831 1.00 53.73 C +ATOM 1552 CE LYS A 232 14.731 11.597 -20.602 1.00 50.40 C +ATOM 1553 NZ LYS A 232 15.995 12.176 -20.078 1.00 45.91 N +ATOM 1554 N PRO A 233 12.452 8.556 -26.483 1.00 54.99 N +ATOM 1555 CA PRO A 233 12.778 8.053 -27.820 1.00 56.47 C +ATOM 1556 C PRO A 233 14.285 7.791 -27.934 1.00 53.42 C +ATOM 1557 O PRO A 233 15.106 8.597 -27.485 1.00 52.04 O +ATOM 1558 CB PRO A 233 12.320 9.132 -28.801 1.00 57.13 C +ATOM 1559 CG PRO A 233 11.261 9.910 -28.021 1.00 55.46 C +ATOM 1560 CD PRO A 233 11.738 9.818 -26.573 1.00 56.98 C +ATOM 1561 N GLY A 234 14.646 6.679 -28.514 1.00 51.22 N +ATOM 1562 CA GLY A 234 16.039 6.387 -28.802 1.00 51.72 C +ATOM 1563 C GLY A 234 16.638 7.443 -29.732 1.00 50.08 C +ATOM 1564 O GLY A 234 15.977 7.880 -30.668 1.00 47.70 O +ATOM 1565 N LYS A 235 17.865 7.875 -29.454 1.00 49.17 N +ATOM 1566 CA LYS A 235 18.611 8.742 -30.381 1.00 54.78 C +ATOM 1567 C LYS A 235 19.014 7.903 -31.595 1.00 50.10 C +ATOM 1568 O LYS A 235 19.499 6.791 -31.411 1.00 48.43 O +ATOM 1569 CB LYS A 235 19.829 9.371 -29.693 1.00 54.85 C +ATOM 1570 CG LYS A 235 19.429 10.377 -28.601 1.00 51.06 C +ATOM 1571 CD LYS A 235 20.673 11.065 -28.021 1.00 48.85 C +ATOM 1572 CE LYS A 235 20.263 12.093 -26.954 1.00 46.46 C +ATOM 1573 NZ LYS A 235 21.451 12.790 -26.411 1.00 41.81 N +ATOM 1574 N TYR A 236 18.725 8.460 -32.760 1.00 53.27 N +ATOM 1575 CA TYR A 236 19.146 7.898 -34.039 1.00 54.40 C +ATOM 1576 C TYR A 236 20.670 7.935 -34.174 1.00 47.83 C +ATOM 1577 O TYR A 236 21.280 8.898 -33.659 1.00 44.03 O +ATOM 1578 CB TYR A 236 18.483 8.666 -35.192 1.00 50.98 C +ATOM 1579 CG TYR A 236 16.978 8.449 -35.297 1.00 47.41 C +ATOM 1580 CD1 TYR A 236 16.482 7.347 -36.020 1.00 43.85 C +ATOM 1581 CD2 TYR A 236 16.088 9.355 -34.687 1.00 43.34 C +ATOM 1582 CE1 TYR A 236 15.094 7.136 -36.131 1.00 40.03 C +ATOM 1583 CE2 TYR A 236 14.693 9.144 -34.788 1.00 46.34 C +ATOM 1584 CZ TYR A 236 14.200 8.037 -35.511 1.00 42.08 C +ATOM 1585 OH TYR A 236 12.865 7.828 -35.614 1.00 44.03 O +ATOM 1586 OXT TYR A 236 21.180 6.980 -34.801 1.00 43.89 O +TER 1587 TYR A 236 +END diff --git a/protein_pdb_114.txt b/protein_pdb_114.txt new file mode 100644 index 0000000000000000000000000000000000000000..c7ab02fe8fbfbba325af2a60ce33efabdf972048 --- /dev/null +++ b/protein_pdb_114.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -20.199 26.980 -10.804 1.00 88.61 N +ATOM 2 CA GLY A 1 -19.298 27.052 -9.656 1.00 90.74 C +ATOM 3 C GLY A 1 -17.900 26.594 -10.017 1.00 91.33 C +ATOM 4 O GLY A 1 -17.679 26.080 -11.109 1.00 88.21 O +ATOM 5 N PRO A 2 -16.949 26.756 -9.117 1.00 91.81 N +ATOM 6 CA PRO A 2 -15.572 26.337 -9.379 1.00 93.29 C +ATOM 7 C PRO A 2 -15.455 24.813 -9.440 1.00 93.63 C +ATOM 8 O PRO A 2 -16.305 24.093 -8.936 1.00 91.63 O +ATOM 9 CB PRO A 2 -14.789 26.904 -8.200 1.00 90.41 C +ATOM 10 CG PRO A 2 -15.789 26.985 -7.104 1.00 87.13 C +ATOM 11 CD PRO A 2 -17.097 27.306 -7.774 1.00 89.29 C +HETATM 12 N HYP A 3 -14.464 24.394 -10.077 1.00 93.97 N +HETATM 13 CA HYP A 3 -14.105 22.943 -10.126 1.00 91.75 C +HETATM 14 C HYP A 3 -13.964 22.352 -8.743 1.00 93.25 C +HETATM 15 O HYP A 3 -13.527 23.062 -7.814 1.00 93.16 O +HETATM 16 CB HYP A 3 -12.825 22.933 -10.909 1.00 91.43 C +HETATM 17 CG HYP A 3 -12.835 24.202 -11.746 1.00 89.42 C +HETATM 18 CD HYP A 3 -13.508 25.215 -10.789 1.00 92.93 C +HETATM 19 OD1 HYP A 3 -13.619 24.073 -12.887 1.00 91.81 O +ATOM 20 N GLY A 4 -14.356 21.082 -8.586 1.00 92.80 N +ATOM 21 CA GLY A 4 -14.224 20.414 -7.316 1.00 91.55 C +ATOM 22 C GLY A 4 -12.765 20.204 -6.943 1.00 91.24 C +ATOM 23 O GLY A 4 -11.867 20.373 -7.772 1.00 90.88 O +ATOM 24 N PRO A 5 -12.515 19.823 -5.684 1.00 94.90 N +ATOM 25 CA PRO A 5 -11.142 19.582 -5.234 1.00 94.88 C +ATOM 26 C PRO A 5 -10.571 18.314 -5.844 1.00 95.11 C +ATOM 27 O PRO A 5 -11.304 17.456 -6.329 1.00 94.37 O +ATOM 28 CB PRO A 5 -11.281 19.464 -3.718 1.00 93.44 C +ATOM 29 CG PRO A 5 -12.661 18.942 -3.532 1.00 91.24 C +ATOM 30 CD PRO A 5 -13.489 19.563 -4.640 1.00 92.95 C +HETATM 31 N HYP A 6 -9.288 18.226 -5.840 1.00 94.39 N +HETATM 32 CA HYP A 6 -8.596 16.954 -6.212 1.00 94.65 C +HETATM 33 C HYP A 6 -9.074 15.781 -5.418 1.00 92.66 C +HETATM 34 O HYP A 6 -9.422 15.956 -4.231 1.00 93.86 O +HETATM 35 CB HYP A 6 -7.123 17.314 -6.001 1.00 90.09 C +HETATM 36 CG HYP A 6 -7.067 18.830 -6.166 1.00 87.58 C +HETATM 37 CD HYP A 6 -8.379 19.259 -5.525 1.00 91.48 C +HETATM 38 OD1 HYP A 6 -7.052 19.202 -7.510 1.00 90.92 O +ATOM 39 N GLY A 7 -9.117 14.592 -6.025 1.00 95.61 N +ATOM 40 CA GLY A 7 -9.543 13.392 -5.353 1.00 94.66 C +ATOM 41 C GLY A 7 -8.588 12.993 -4.247 1.00 94.72 C +ATOM 42 O GLY A 7 -7.492 13.540 -4.119 1.00 94.36 O +ATOM 43 N PRO A 8 -8.996 12.014 -3.432 1.00 94.52 N +ATOM 44 CA PRO A 8 -8.153 11.539 -2.338 1.00 94.36 C +ATOM 45 C PRO A 8 -6.966 10.742 -2.850 1.00 94.41 C +ATOM 46 O PRO A 8 -6.947 10.298 -3.999 1.00 93.42 O +ATOM 47 CB PRO A 8 -9.095 10.669 -1.516 1.00 93.09 C +ATOM 48 CG PRO A 8 -10.065 10.151 -2.524 1.00 91.53 C +ATOM 49 CD PRO A 8 -10.248 11.280 -3.509 1.00 92.96 C +HETATM 50 N HYP A 9 -5.997 10.553 -2.028 1.00 93.37 N +HETATM 51 CA HYP A 9 -4.858 9.693 -2.326 1.00 91.99 C +HETATM 52 C HYP A 9 -5.273 8.287 -2.645 1.00 92.75 C +HETATM 53 O HYP A 9 -6.267 7.797 -2.073 1.00 89.60 O +HETATM 54 CB HYP A 9 -4.019 9.693 -0.990 1.00 89.00 C +HETATM 55 CG HYP A 9 -4.389 10.989 -0.344 1.00 86.61 C +HETATM 56 CD HYP A 9 -5.861 11.150 -0.721 1.00 90.42 C +HETATM 57 OD1 HYP A 9 -3.648 12.057 -0.916 1.00 84.83 O +ATOM 58 N GLY A 10 -4.574 7.631 -3.521 1.00 95.53 N +ATOM 59 CA GLY A 10 -4.871 6.260 -3.866 1.00 94.47 C +ATOM 60 C GLY A 10 -4.666 5.330 -2.679 1.00 94.33 C +ATOM 61 O GLY A 10 -4.149 5.727 -1.635 1.00 93.67 O +ATOM 62 N PRO A 11 -5.054 4.055 -2.847 1.00 95.19 N +ATOM 63 CA PRO A 11 -4.890 3.101 -1.755 1.00 94.31 C +ATOM 64 C PRO A 11 -3.425 2.812 -1.467 1.00 93.73 C +ATOM 65 O PRO A 11 -2.556 2.963 -2.330 1.00 90.54 O +ATOM 66 CB PRO A 11 -5.620 1.849 -2.250 1.00 92.86 C +ATOM 67 CG PRO A 11 -5.584 1.973 -3.733 1.00 91.54 C +ATOM 68 CD PRO A 11 -5.646 3.446 -4.028 1.00 93.31 C +ATOM 69 N LYS A 12 -3.160 2.391 -0.234 1.00 94.18 N +ATOM 70 CA LYS A 12 -1.808 2.003 0.157 1.00 93.31 C +ATOM 71 C LYS A 12 -1.360 0.802 -0.681 1.00 93.88 C +ATOM 72 O LYS A 12 -2.165 -0.055 -1.033 1.00 92.07 O +ATOM 73 CB LYS A 12 -1.785 1.654 1.651 1.00 89.71 C +ATOM 74 CG LYS A 12 -0.426 1.264 2.189 1.00 83.14 C +ATOM 75 CD LYS A 12 -0.491 0.877 3.658 1.00 80.36 C +ATOM 76 CE LYS A 12 -0.332 2.064 4.576 1.00 74.74 C +ATOM 77 NZ LYS A 12 1.066 2.556 4.618 1.00 70.51 N +ATOM 78 N GLY A 13 -0.079 0.781 -0.998 1.00 94.36 N +ATOM 79 CA GLY A 13 0.474 -0.326 -1.759 1.00 93.41 C +ATOM 80 C GLY A 13 0.420 -1.642 -0.999 1.00 93.74 C +ATOM 81 O GLY A 13 0.157 -1.662 0.206 1.00 92.96 O +ATOM 82 N PRO A 14 0.680 -2.758 -1.686 1.00 94.13 N +ATOM 83 CA PRO A 14 0.631 -4.065 -1.038 1.00 94.47 C +ATOM 84 C PRO A 14 1.778 -4.251 -0.055 1.00 94.81 C +ATOM 85 O PRO A 14 2.788 -3.558 -0.123 1.00 93.16 O +ATOM 86 CB PRO A 14 0.733 -5.049 -2.210 1.00 92.89 C +ATOM 87 CG PRO A 14 1.485 -4.291 -3.247 1.00 91.34 C +ATOM 88 CD PRO A 14 1.043 -2.863 -3.093 1.00 92.47 C +HETATM 89 N HYP A 15 1.639 -5.208 0.840 1.00 88.87 N +HETATM 90 CA HYP A 15 2.688 -5.581 1.763 1.00 89.56 C +HETATM 91 C HYP A 15 3.953 -6.022 1.021 1.00 94.28 C +HETATM 92 O HYP A 15 3.829 -6.545 -0.103 1.00 84.31 O +HETATM 93 CB HYP A 15 2.050 -6.732 2.546 1.00 88.18 C +HETATM 94 CG HYP A 15 0.563 -6.438 2.482 1.00 84.47 C +HETATM 95 CD HYP A 15 0.408 -5.917 1.083 1.00 88.40 C +HETATM 96 OD1 HYP A 15 0.170 -5.437 3.402 1.00 90.33 O +ATOM 97 N GLY A 16 5.073 -5.801 1.585 1.00 94.63 N +ATOM 98 CA GLY A 16 6.296 -6.286 1.002 1.00 93.65 C +ATOM 99 C GLY A 16 6.353 -7.806 1.017 1.00 94.14 C +ATOM 100 O GLY A 16 5.511 -8.466 1.638 1.00 93.95 O +ATOM 101 N PRO A 17 7.353 -8.379 0.340 1.00 91.81 N +ATOM 102 CA PRO A 17 7.479 -9.830 0.295 1.00 92.25 C +ATOM 103 C PRO A 17 7.897 -10.397 1.644 1.00 92.33 C +ATOM 104 O PRO A 17 8.422 -9.693 2.495 1.00 91.47 O +ATOM 105 CB PRO A 17 8.558 -10.055 -0.764 1.00 90.76 C +ATOM 106 CG PRO A 17 9.374 -8.815 -0.719 1.00 88.47 C +ATOM 107 CD PRO A 17 8.408 -7.703 -0.405 1.00 89.78 C +HETATM 108 N HYP A 18 7.682 -11.662 1.827 1.00 91.99 N +HETATM 109 CA HYP A 18 8.140 -12.368 3.002 1.00 91.66 C +HETATM 110 C HYP A 18 9.650 -12.265 3.192 1.00 89.77 C +HETATM 111 O HYP A 18 10.380 -12.204 2.175 1.00 90.68 O +HETATM 112 CB HYP A 18 7.698 -13.797 2.755 1.00 90.52 C +HETATM 113 CG HYP A 18 6.519 -13.704 1.821 1.00 89.27 C +HETATM 114 CD HYP A 18 6.894 -12.515 0.968 1.00 88.91 C +HETATM 115 OD1 HYP A 18 5.328 -13.404 2.517 1.00 91.65 O +ATOM 116 N GLY A 19 10.102 -12.199 4.403 1.00 92.44 N +ATOM 117 CA GLY A 19 11.513 -12.135 4.673 1.00 91.77 C +ATOM 118 C GLY A 19 12.228 -13.387 4.191 1.00 92.14 C +ATOM 119 O GLY A 19 11.595 -14.383 3.833 1.00 91.38 O +ATOM 120 N PRO A 20 13.565 -13.351 4.204 1.00 93.50 N +ATOM 121 CA PRO A 20 14.331 -14.503 3.754 1.00 93.27 C +ATOM 122 C PRO A 20 14.228 -15.660 4.737 1.00 93.34 C +ATOM 123 O PRO A 20 13.882 -15.477 5.901 1.00 91.73 O +ATOM 124 CB PRO A 20 15.757 -13.965 3.671 1.00 91.07 C +ATOM 125 CG PRO A 20 15.782 -12.866 4.672 1.00 88.45 C +ATOM 126 CD PRO A 20 14.413 -12.248 4.636 1.00 90.92 C +HETATM 127 N HYP A 21 14.556 -16.845 4.300 1.00 94.66 N +HETATM 128 CA HYP A 21 14.567 -18.024 5.122 1.00 92.89 C +HETATM 129 C HYP A 21 15.562 -17.903 6.277 1.00 94.75 C +HETATM 130 O HYP A 21 16.597 -17.235 6.117 1.00 93.42 O +HETATM 131 CB HYP A 21 15.032 -19.159 4.183 1.00 92.46 C +HETATM 132 CG HYP A 21 14.679 -18.678 2.785 1.00 90.29 C +HETATM 133 CD HYP A 21 14.874 -17.174 2.904 1.00 93.30 C +HETATM 134 OD1 HYP A 21 13.305 -18.924 2.510 1.00 91.38 O +ATOM 135 N GLY A 22 15.262 -18.428 7.416 1.00 91.64 N +ATOM 136 CA GLY A 22 16.162 -18.411 8.542 1.00 91.25 C +ATOM 137 C GLY A 22 17.426 -19.206 8.240 1.00 91.94 C +ATOM 138 O GLY A 22 17.516 -19.895 7.222 1.00 90.56 O +ATOM 139 N PRO A 23 18.419 -19.147 9.144 1.00 92.20 N +ATOM 140 CA PRO A 23 19.652 -19.896 8.924 1.00 92.75 C +ATOM 141 C PRO A 23 19.415 -21.392 8.992 1.00 92.60 C +ATOM 142 O PRO A 23 18.464 -21.859 9.615 1.00 89.34 O +ATOM 143 CB PRO A 23 20.583 -19.426 10.047 1.00 89.71 C +ATOM 144 CG PRO A 23 19.754 -18.644 10.968 1.00 86.63 C +ATOM 145 CD PRO A 23 18.411 -18.389 10.378 1.00 89.40 C +HETATM 146 N HYP A 24 20.290 -22.192 8.422 1.00 92.27 N +HETATM 147 CA HYP A 24 20.101 -23.630 8.420 1.00 88.53 C +HETATM 148 C HYP A 24 20.096 -24.180 9.843 1.00 89.75 C +HETATM 149 O HYP A 24 20.841 -23.642 10.680 1.00 89.46 O +HETATM 150 CB HYP A 24 21.353 -24.211 7.670 1.00 91.68 C +HETATM 151 CG HYP A 24 21.895 -23.042 6.886 1.00 90.14 C +HETATM 152 CD HYP A 24 21.505 -21.803 7.718 1.00 90.59 C +HETATM 153 OD1 HYP A 24 21.219 -22.978 5.637 1.00 86.29 O +HETATM 154 OXT HYP A 24 19.348 -25.149 10.065 1.00 84.77 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_115.txt b/protein_pdb_115.txt new file mode 100644 index 0000000000000000000000000000000000000000..c7ab02fe8fbfbba325af2a60ce33efabdf972048 --- /dev/null +++ b/protein_pdb_115.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -20.199 26.980 -10.804 1.00 88.61 N +ATOM 2 CA GLY A 1 -19.298 27.052 -9.656 1.00 90.74 C +ATOM 3 C GLY A 1 -17.900 26.594 -10.017 1.00 91.33 C +ATOM 4 O GLY A 1 -17.679 26.080 -11.109 1.00 88.21 O +ATOM 5 N PRO A 2 -16.949 26.756 -9.117 1.00 91.81 N +ATOM 6 CA PRO A 2 -15.572 26.337 -9.379 1.00 93.29 C +ATOM 7 C PRO A 2 -15.455 24.813 -9.440 1.00 93.63 C +ATOM 8 O PRO A 2 -16.305 24.093 -8.936 1.00 91.63 O +ATOM 9 CB PRO A 2 -14.789 26.904 -8.200 1.00 90.41 C +ATOM 10 CG PRO A 2 -15.789 26.985 -7.104 1.00 87.13 C +ATOM 11 CD PRO A 2 -17.097 27.306 -7.774 1.00 89.29 C +HETATM 12 N HYP A 3 -14.464 24.394 -10.077 1.00 93.97 N +HETATM 13 CA HYP A 3 -14.105 22.943 -10.126 1.00 91.75 C +HETATM 14 C HYP A 3 -13.964 22.352 -8.743 1.00 93.25 C +HETATM 15 O HYP A 3 -13.527 23.062 -7.814 1.00 93.16 O +HETATM 16 CB HYP A 3 -12.825 22.933 -10.909 1.00 91.43 C +HETATM 17 CG HYP A 3 -12.835 24.202 -11.746 1.00 89.42 C +HETATM 18 CD HYP A 3 -13.508 25.215 -10.789 1.00 92.93 C +HETATM 19 OD1 HYP A 3 -13.619 24.073 -12.887 1.00 91.81 O +ATOM 20 N GLY A 4 -14.356 21.082 -8.586 1.00 92.80 N +ATOM 21 CA GLY A 4 -14.224 20.414 -7.316 1.00 91.55 C +ATOM 22 C GLY A 4 -12.765 20.204 -6.943 1.00 91.24 C +ATOM 23 O GLY A 4 -11.867 20.373 -7.772 1.00 90.88 O +ATOM 24 N PRO A 5 -12.515 19.823 -5.684 1.00 94.90 N +ATOM 25 CA PRO A 5 -11.142 19.582 -5.234 1.00 94.88 C +ATOM 26 C PRO A 5 -10.571 18.314 -5.844 1.00 95.11 C +ATOM 27 O PRO A 5 -11.304 17.456 -6.329 1.00 94.37 O +ATOM 28 CB PRO A 5 -11.281 19.464 -3.718 1.00 93.44 C +ATOM 29 CG PRO A 5 -12.661 18.942 -3.532 1.00 91.24 C +ATOM 30 CD PRO A 5 -13.489 19.563 -4.640 1.00 92.95 C +HETATM 31 N HYP A 6 -9.288 18.226 -5.840 1.00 94.39 N +HETATM 32 CA HYP A 6 -8.596 16.954 -6.212 1.00 94.65 C +HETATM 33 C HYP A 6 -9.074 15.781 -5.418 1.00 92.66 C +HETATM 34 O HYP A 6 -9.422 15.956 -4.231 1.00 93.86 O +HETATM 35 CB HYP A 6 -7.123 17.314 -6.001 1.00 90.09 C +HETATM 36 CG HYP A 6 -7.067 18.830 -6.166 1.00 87.58 C +HETATM 37 CD HYP A 6 -8.379 19.259 -5.525 1.00 91.48 C +HETATM 38 OD1 HYP A 6 -7.052 19.202 -7.510 1.00 90.92 O +ATOM 39 N GLY A 7 -9.117 14.592 -6.025 1.00 95.61 N +ATOM 40 CA GLY A 7 -9.543 13.392 -5.353 1.00 94.66 C +ATOM 41 C GLY A 7 -8.588 12.993 -4.247 1.00 94.72 C +ATOM 42 O GLY A 7 -7.492 13.540 -4.119 1.00 94.36 O +ATOM 43 N PRO A 8 -8.996 12.014 -3.432 1.00 94.52 N +ATOM 44 CA PRO A 8 -8.153 11.539 -2.338 1.00 94.36 C +ATOM 45 C PRO A 8 -6.966 10.742 -2.850 1.00 94.41 C +ATOM 46 O PRO A 8 -6.947 10.298 -3.999 1.00 93.42 O +ATOM 47 CB PRO A 8 -9.095 10.669 -1.516 1.00 93.09 C +ATOM 48 CG PRO A 8 -10.065 10.151 -2.524 1.00 91.53 C +ATOM 49 CD PRO A 8 -10.248 11.280 -3.509 1.00 92.96 C +HETATM 50 N HYP A 9 -5.997 10.553 -2.028 1.00 93.37 N +HETATM 51 CA HYP A 9 -4.858 9.693 -2.326 1.00 91.99 C +HETATM 52 C HYP A 9 -5.273 8.287 -2.645 1.00 92.75 C +HETATM 53 O HYP A 9 -6.267 7.797 -2.073 1.00 89.60 O +HETATM 54 CB HYP A 9 -4.019 9.693 -0.990 1.00 89.00 C +HETATM 55 CG HYP A 9 -4.389 10.989 -0.344 1.00 86.61 C +HETATM 56 CD HYP A 9 -5.861 11.150 -0.721 1.00 90.42 C +HETATM 57 OD1 HYP A 9 -3.648 12.057 -0.916 1.00 84.83 O +ATOM 58 N GLY A 10 -4.574 7.631 -3.521 1.00 95.53 N +ATOM 59 CA GLY A 10 -4.871 6.260 -3.866 1.00 94.47 C +ATOM 60 C GLY A 10 -4.666 5.330 -2.679 1.00 94.33 C +ATOM 61 O GLY A 10 -4.149 5.727 -1.635 1.00 93.67 O +ATOM 62 N PRO A 11 -5.054 4.055 -2.847 1.00 95.19 N +ATOM 63 CA PRO A 11 -4.890 3.101 -1.755 1.00 94.31 C +ATOM 64 C PRO A 11 -3.425 2.812 -1.467 1.00 93.73 C +ATOM 65 O PRO A 11 -2.556 2.963 -2.330 1.00 90.54 O +ATOM 66 CB PRO A 11 -5.620 1.849 -2.250 1.00 92.86 C +ATOM 67 CG PRO A 11 -5.584 1.973 -3.733 1.00 91.54 C +ATOM 68 CD PRO A 11 -5.646 3.446 -4.028 1.00 93.31 C +ATOM 69 N LYS A 12 -3.160 2.391 -0.234 1.00 94.18 N +ATOM 70 CA LYS A 12 -1.808 2.003 0.157 1.00 93.31 C +ATOM 71 C LYS A 12 -1.360 0.802 -0.681 1.00 93.88 C +ATOM 72 O LYS A 12 -2.165 -0.055 -1.033 1.00 92.07 O +ATOM 73 CB LYS A 12 -1.785 1.654 1.651 1.00 89.71 C +ATOM 74 CG LYS A 12 -0.426 1.264 2.189 1.00 83.14 C +ATOM 75 CD LYS A 12 -0.491 0.877 3.658 1.00 80.36 C +ATOM 76 CE LYS A 12 -0.332 2.064 4.576 1.00 74.74 C +ATOM 77 NZ LYS A 12 1.066 2.556 4.618 1.00 70.51 N +ATOM 78 N GLY A 13 -0.079 0.781 -0.998 1.00 94.36 N +ATOM 79 CA GLY A 13 0.474 -0.326 -1.759 1.00 93.41 C +ATOM 80 C GLY A 13 0.420 -1.642 -0.999 1.00 93.74 C +ATOM 81 O GLY A 13 0.157 -1.662 0.206 1.00 92.96 O +ATOM 82 N PRO A 14 0.680 -2.758 -1.686 1.00 94.13 N +ATOM 83 CA PRO A 14 0.631 -4.065 -1.038 1.00 94.47 C +ATOM 84 C PRO A 14 1.778 -4.251 -0.055 1.00 94.81 C +ATOM 85 O PRO A 14 2.788 -3.558 -0.123 1.00 93.16 O +ATOM 86 CB PRO A 14 0.733 -5.049 -2.210 1.00 92.89 C +ATOM 87 CG PRO A 14 1.485 -4.291 -3.247 1.00 91.34 C +ATOM 88 CD PRO A 14 1.043 -2.863 -3.093 1.00 92.47 C +HETATM 89 N HYP A 15 1.639 -5.208 0.840 1.00 88.87 N +HETATM 90 CA HYP A 15 2.688 -5.581 1.763 1.00 89.56 C +HETATM 91 C HYP A 15 3.953 -6.022 1.021 1.00 94.28 C +HETATM 92 O HYP A 15 3.829 -6.545 -0.103 1.00 84.31 O +HETATM 93 CB HYP A 15 2.050 -6.732 2.546 1.00 88.18 C +HETATM 94 CG HYP A 15 0.563 -6.438 2.482 1.00 84.47 C +HETATM 95 CD HYP A 15 0.408 -5.917 1.083 1.00 88.40 C +HETATM 96 OD1 HYP A 15 0.170 -5.437 3.402 1.00 90.33 O +ATOM 97 N GLY A 16 5.073 -5.801 1.585 1.00 94.63 N +ATOM 98 CA GLY A 16 6.296 -6.286 1.002 1.00 93.65 C +ATOM 99 C GLY A 16 6.353 -7.806 1.017 1.00 94.14 C +ATOM 100 O GLY A 16 5.511 -8.466 1.638 1.00 93.95 O +ATOM 101 N PRO A 17 7.353 -8.379 0.340 1.00 91.81 N +ATOM 102 CA PRO A 17 7.479 -9.830 0.295 1.00 92.25 C +ATOM 103 C PRO A 17 7.897 -10.397 1.644 1.00 92.33 C +ATOM 104 O PRO A 17 8.422 -9.693 2.495 1.00 91.47 O +ATOM 105 CB PRO A 17 8.558 -10.055 -0.764 1.00 90.76 C +ATOM 106 CG PRO A 17 9.374 -8.815 -0.719 1.00 88.47 C +ATOM 107 CD PRO A 17 8.408 -7.703 -0.405 1.00 89.78 C +HETATM 108 N HYP A 18 7.682 -11.662 1.827 1.00 91.99 N +HETATM 109 CA HYP A 18 8.140 -12.368 3.002 1.00 91.66 C +HETATM 110 C HYP A 18 9.650 -12.265 3.192 1.00 89.77 C +HETATM 111 O HYP A 18 10.380 -12.204 2.175 1.00 90.68 O +HETATM 112 CB HYP A 18 7.698 -13.797 2.755 1.00 90.52 C +HETATM 113 CG HYP A 18 6.519 -13.704 1.821 1.00 89.27 C +HETATM 114 CD HYP A 18 6.894 -12.515 0.968 1.00 88.91 C +HETATM 115 OD1 HYP A 18 5.328 -13.404 2.517 1.00 91.65 O +ATOM 116 N GLY A 19 10.102 -12.199 4.403 1.00 92.44 N +ATOM 117 CA GLY A 19 11.513 -12.135 4.673 1.00 91.77 C +ATOM 118 C GLY A 19 12.228 -13.387 4.191 1.00 92.14 C +ATOM 119 O GLY A 19 11.595 -14.383 3.833 1.00 91.38 O +ATOM 120 N PRO A 20 13.565 -13.351 4.204 1.00 93.50 N +ATOM 121 CA PRO A 20 14.331 -14.503 3.754 1.00 93.27 C +ATOM 122 C PRO A 20 14.228 -15.660 4.737 1.00 93.34 C +ATOM 123 O PRO A 20 13.882 -15.477 5.901 1.00 91.73 O +ATOM 124 CB PRO A 20 15.757 -13.965 3.671 1.00 91.07 C +ATOM 125 CG PRO A 20 15.782 -12.866 4.672 1.00 88.45 C +ATOM 126 CD PRO A 20 14.413 -12.248 4.636 1.00 90.92 C +HETATM 127 N HYP A 21 14.556 -16.845 4.300 1.00 94.66 N +HETATM 128 CA HYP A 21 14.567 -18.024 5.122 1.00 92.89 C +HETATM 129 C HYP A 21 15.562 -17.903 6.277 1.00 94.75 C +HETATM 130 O HYP A 21 16.597 -17.235 6.117 1.00 93.42 O +HETATM 131 CB HYP A 21 15.032 -19.159 4.183 1.00 92.46 C +HETATM 132 CG HYP A 21 14.679 -18.678 2.785 1.00 90.29 C +HETATM 133 CD HYP A 21 14.874 -17.174 2.904 1.00 93.30 C +HETATM 134 OD1 HYP A 21 13.305 -18.924 2.510 1.00 91.38 O +ATOM 135 N GLY A 22 15.262 -18.428 7.416 1.00 91.64 N +ATOM 136 CA GLY A 22 16.162 -18.411 8.542 1.00 91.25 C +ATOM 137 C GLY A 22 17.426 -19.206 8.240 1.00 91.94 C +ATOM 138 O GLY A 22 17.516 -19.895 7.222 1.00 90.56 O +ATOM 139 N PRO A 23 18.419 -19.147 9.144 1.00 92.20 N +ATOM 140 CA PRO A 23 19.652 -19.896 8.924 1.00 92.75 C +ATOM 141 C PRO A 23 19.415 -21.392 8.992 1.00 92.60 C +ATOM 142 O PRO A 23 18.464 -21.859 9.615 1.00 89.34 O +ATOM 143 CB PRO A 23 20.583 -19.426 10.047 1.00 89.71 C +ATOM 144 CG PRO A 23 19.754 -18.644 10.968 1.00 86.63 C +ATOM 145 CD PRO A 23 18.411 -18.389 10.378 1.00 89.40 C +HETATM 146 N HYP A 24 20.290 -22.192 8.422 1.00 92.27 N +HETATM 147 CA HYP A 24 20.101 -23.630 8.420 1.00 88.53 C +HETATM 148 C HYP A 24 20.096 -24.180 9.843 1.00 89.75 C +HETATM 149 O HYP A 24 20.841 -23.642 10.680 1.00 89.46 O +HETATM 150 CB HYP A 24 21.353 -24.211 7.670 1.00 91.68 C +HETATM 151 CG HYP A 24 21.895 -23.042 6.886 1.00 90.14 C +HETATM 152 CD HYP A 24 21.505 -21.803 7.718 1.00 90.59 C +HETATM 153 OD1 HYP A 24 21.219 -22.978 5.637 1.00 86.29 O +HETATM 154 OXT HYP A 24 19.348 -25.149 10.065 1.00 84.77 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_116.txt b/protein_pdb_116.txt new file mode 100644 index 0000000000000000000000000000000000000000..8ea64a734551db0055196f62b07c76ef9071e4a0 --- /dev/null +++ b/protein_pdb_116.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -26.894 -7.606 25.643 1.00 83.24 N +ATOM 2 CA GLY A 1 -25.460 -7.806 25.811 1.00 86.53 C +ATOM 3 C GLY A 1 -24.668 -6.649 25.242 1.00 87.53 C +ATOM 4 O GLY A 1 -25.224 -5.788 24.552 1.00 83.17 O +ATOM 5 N PRO A 2 -23.371 -6.599 25.495 1.00 85.34 N +ATOM 6 CA PRO A 2 -22.531 -5.517 24.975 1.00 88.48 C +ATOM 7 C PRO A 2 -22.374 -5.600 23.465 1.00 88.63 C +ATOM 8 O PRO A 2 -22.531 -6.662 22.871 1.00 85.36 O +ATOM 9 CB PRO A 2 -21.194 -5.720 25.691 1.00 84.79 C +ATOM 10 CG PRO A 2 -21.162 -7.186 25.958 1.00 81.90 C +ATOM 11 CD PRO A 2 -22.593 -7.552 26.278 1.00 82.39 C +HETATM 12 N HYP A 3 -22.136 -4.515 22.893 1.00 91.77 N +HETATM 13 CA HYP A 3 -21.805 -4.444 21.449 1.00 88.76 C +HETATM 14 C HYP A 3 -20.653 -5.346 21.106 1.00 90.98 C +HETATM 15 O HYP A 3 -19.746 -5.600 21.931 1.00 91.43 O +HETATM 16 CB HYP A 3 -21.436 -2.972 21.287 1.00 88.61 C +HETATM 17 CG HYP A 3 -22.165 -2.261 22.386 1.00 88.35 C +HETATM 18 CD HYP A 3 -22.061 -3.228 23.538 1.00 91.55 C +HETATM 19 OD1 HYP A 3 -23.511 -2.050 22.066 1.00 89.45 O +ATOM 20 N GLY A 4 -20.664 -5.871 19.879 1.00 94.10 N +ATOM 21 CA GLY A 4 -19.583 -6.701 19.406 1.00 93.45 C +ATOM 22 C GLY A 4 -18.317 -5.882 19.215 1.00 93.61 C +ATOM 23 O GLY A 4 -18.339 -4.654 19.285 1.00 92.64 O +ATOM 24 N PRO A 5 -17.207 -6.558 18.961 1.00 94.44 N +ATOM 25 CA PRO A 5 -15.939 -5.856 18.769 1.00 94.26 C +ATOM 26 C PRO A 5 -15.934 -5.062 17.477 1.00 94.34 C +ATOM 27 O PRO A 5 -16.672 -5.363 16.544 1.00 93.01 O +ATOM 28 CB PRO A 5 -14.907 -6.980 18.749 1.00 92.52 C +ATOM 29 CG PRO A 5 -15.675 -8.147 18.243 1.00 91.07 C +ATOM 30 CD PRO A 5 -17.058 -8.005 18.839 1.00 92.58 C +HETATM 31 N HYP A 6 -15.128 -4.046 17.433 1.00 94.68 N +HETATM 32 CA HYP A 6 -14.912 -3.298 16.182 1.00 93.78 C +HETATM 33 C HYP A 6 -14.432 -4.168 15.084 1.00 92.67 C +HETATM 34 O HYP A 6 -13.730 -5.180 15.314 1.00 92.24 O +HETATM 35 CB HYP A 6 -13.822 -2.265 16.625 1.00 92.33 C +HETATM 36 CG HYP A 6 -14.034 -2.111 18.093 1.00 90.26 C +HETATM 37 CD HYP A 6 -14.406 -3.501 18.535 1.00 92.80 C +HETATM 38 OD1 HYP A 6 -15.092 -1.217 18.371 1.00 89.17 O +ATOM 39 N GLY A 7 -14.828 -3.835 13.832 1.00 95.22 N +ATOM 40 CA GLY A 7 -14.422 -4.577 12.666 1.00 94.25 C +ATOM 41 C GLY A 7 -12.927 -4.456 12.418 1.00 94.40 C +ATOM 42 O GLY A 7 -12.244 -3.637 13.044 1.00 93.91 O +ATOM 43 N PRO A 8 -12.409 -5.257 11.499 1.00 93.84 N +ATOM 44 CA PRO A 8 -10.985 -5.216 11.193 1.00 93.65 C +ATOM 45 C PRO A 8 -10.611 -3.943 10.453 1.00 93.72 C +ATOM 46 O PRO A 8 -11.448 -3.309 9.817 1.00 92.21 O +ATOM 47 CB PRO A 8 -10.771 -6.455 10.324 1.00 91.95 C +ATOM 48 CG PRO A 8 -12.090 -6.626 9.656 1.00 91.10 C +ATOM 49 CD PRO A 8 -13.116 -6.250 10.700 1.00 92.46 C +HETATM 50 N HYP A 9 -9.395 -3.567 10.504 1.00 93.77 N +HETATM 51 CA HYP A 9 -8.866 -2.447 9.737 1.00 92.37 C +HETATM 52 C HYP A 9 -9.006 -2.648 8.279 1.00 94.28 C +HETATM 53 O HYP A 9 -8.935 -3.781 7.796 1.00 91.56 O +HETATM 54 CB HYP A 9 -7.336 -2.435 10.136 1.00 92.14 C +HETATM 55 CG HYP A 9 -7.311 -3.059 11.494 1.00 90.13 C +HETATM 56 CD HYP A 9 -8.397 -4.115 11.372 1.00 93.56 C +HETATM 57 OD1 HYP A 9 -7.689 -2.124 12.487 1.00 85.99 O +ATOM 58 N GLY A 10 -9.224 -1.565 7.564 1.00 95.21 N +ATOM 59 CA GLY A 10 -9.339 -1.634 6.129 1.00 94.35 C +ATOM 60 C GLY A 10 -8.022 -2.059 5.490 1.00 94.64 C +ATOM 61 O GLY A 10 -6.985 -2.135 6.152 1.00 93.88 O +ATOM 62 N PRO A 11 -8.045 -2.322 4.179 1.00 92.29 N +ATOM 63 CA PRO A 11 -6.820 -2.753 3.501 1.00 91.51 C +ATOM 64 C PRO A 11 -5.814 -1.619 3.364 1.00 90.81 C +ATOM 65 O PRO A 11 -6.163 -0.442 3.379 1.00 87.72 O +ATOM 66 CB PRO A 11 -7.321 -3.216 2.134 1.00 89.71 C +ATOM 67 CG PRO A 11 -8.530 -2.371 1.914 1.00 89.92 C +ATOM 68 CD PRO A 11 -9.176 -2.251 3.273 1.00 91.34 C +ATOM 69 N VAL A 12 -4.548 -2.005 3.229 1.00 93.50 N +ATOM 70 CA VAL A 12 -3.491 -1.036 2.988 1.00 92.72 C +ATOM 71 C VAL A 12 -3.756 -0.378 1.639 1.00 93.32 C +ATOM 72 O VAL A 12 -4.246 -1.028 0.709 1.00 91.96 O +ATOM 73 CB VAL A 12 -2.107 -1.721 3.000 1.00 89.90 C +ATOM 74 CG1 VAL A 12 -1.003 -0.733 2.663 1.00 86.44 C +ATOM 75 CG2 VAL A 12 -1.849 -2.342 4.365 1.00 86.00 C +ATOM 76 N GLY A 13 -3.461 0.908 1.554 1.00 93.97 N +ATOM 77 CA GLY A 13 -3.689 1.634 0.317 1.00 93.44 C +ATOM 78 C GLY A 13 -2.823 1.141 -0.824 1.00 93.91 C +ATOM 79 O GLY A 13 -1.895 0.356 -0.631 1.00 93.49 O +ATOM 80 N PRO A 14 -3.115 1.609 -2.041 1.00 93.91 N +ATOM 81 CA PRO A 14 -2.352 1.175 -3.208 1.00 94.08 C +ATOM 82 C PRO A 14 -0.937 1.723 -3.188 1.00 94.21 C +ATOM 83 O PRO A 14 -0.646 2.716 -2.530 1.00 92.84 O +ATOM 84 CB PRO A 14 -3.153 1.736 -4.384 1.00 92.55 C +ATOM 85 CG PRO A 14 -3.809 2.943 -3.811 1.00 91.61 C +ATOM 86 CD PRO A 14 -4.165 2.552 -2.398 1.00 92.71 C +HETATM 87 N HYP A 15 -0.071 1.103 -3.964 1.00 92.86 N +HETATM 88 CA HYP A 15 1.302 1.563 -4.092 1.00 91.48 C +HETATM 89 C HYP A 15 1.406 2.964 -4.675 1.00 93.88 C +HETATM 90 O HYP A 15 0.531 3.385 -5.456 1.00 89.47 O +HETATM 91 CB HYP A 15 1.877 0.564 -5.105 1.00 89.78 C +HETATM 92 CG HYP A 15 1.027 -0.684 -4.917 1.00 88.06 C +HETATM 93 CD HYP A 15 -0.335 -0.113 -4.682 1.00 92.20 C +HETATM 94 OD1 HYP A 15 1.427 -1.421 -3.806 1.00 90.88 O +ATOM 95 N GLY A 16 2.362 3.696 -4.235 1.00 95.61 N +ATOM 96 CA GLY A 16 2.573 5.007 -4.789 1.00 94.75 C +ATOM 97 C GLY A 16 3.040 4.904 -6.231 1.00 95.23 C +ATOM 98 O GLY A 16 3.341 3.819 -6.731 1.00 94.82 O +ATOM 99 N PRO A 17 3.104 6.050 -6.921 1.00 91.50 N +ATOM 100 CA PRO A 17 3.530 6.036 -8.315 1.00 91.58 C +ATOM 101 C PRO A 17 5.011 5.704 -8.444 1.00 91.52 C +ATOM 102 O PRO A 17 5.793 5.911 -7.525 1.00 90.11 O +ATOM 103 CB PRO A 17 3.230 7.454 -8.794 1.00 89.52 C +ATOM 104 CG PRO A 17 3.339 8.267 -7.551 1.00 88.49 C +ATOM 105 CD PRO A 17 2.776 7.394 -6.457 1.00 90.30 C +HETATM 106 N HYP A 18 5.400 5.195 -9.623 1.00 92.99 N +HETATM 107 CA HYP A 18 6.807 4.943 -9.883 1.00 93.08 C +HETATM 108 C HYP A 18 7.630 6.210 -9.858 1.00 92.75 C +HETATM 109 O HYP A 18 7.143 7.301 -10.228 1.00 92.95 O +HETATM 110 CB HYP A 18 6.775 4.375 -11.308 1.00 92.67 C +HETATM 111 CG HYP A 18 5.418 3.761 -11.461 1.00 91.85 C +HETATM 112 CD HYP A 18 4.541 4.688 -10.684 1.00 92.38 C +HETATM 113 OD1 HYP A 18 5.356 2.480 -10.896 1.00 90.98 O +ATOM 114 N GLY A 19 8.851 6.102 -9.370 1.00 93.60 N +ATOM 115 CA GLY A 19 9.737 7.232 -9.337 1.00 92.89 C +ATOM 116 C GLY A 19 10.130 7.645 -10.746 1.00 93.41 C +ATOM 117 O GLY A 19 9.863 6.929 -11.713 1.00 92.96 O +ATOM 118 N PRO A 20 10.789 8.789 -10.875 1.00 90.61 N +ATOM 119 CA PRO A 20 11.203 9.260 -12.195 1.00 90.45 C +ATOM 120 C PRO A 20 12.345 8.415 -12.744 1.00 90.21 C +ATOM 121 O PRO A 20 13.073 7.771 -11.996 1.00 88.40 O +ATOM 122 CB PRO A 20 11.631 10.700 -11.934 1.00 87.79 C +ATOM 123 CG PRO A 20 12.089 10.678 -10.513 1.00 86.13 C +ATOM 124 CD PRO A 20 11.157 9.722 -9.816 1.00 88.80 C +HETATM 125 N HYP A 21 12.521 8.422 -14.083 1.00 93.96 N +HETATM 126 CA HYP A 21 13.632 7.737 -14.675 1.00 92.08 C +HETATM 127 C HYP A 21 14.979 8.250 -14.229 1.00 95.06 C +HETATM 128 O HYP A 21 15.100 9.441 -13.916 1.00 91.94 O +HETATM 129 CB HYP A 21 13.457 8.048 -16.180 1.00 93.12 C +HETATM 130 CG HYP A 21 12.004 8.311 -16.364 1.00 91.91 C +HETATM 131 CD HYP A 21 11.629 8.998 -15.077 1.00 93.23 C +HETATM 132 OD1 HYP A 21 11.296 7.103 -16.479 1.00 89.80 O +ATOM 133 N GLY A 22 15.958 7.398 -14.100 1.00 89.31 N +ATOM 134 CA GLY A 22 17.284 7.811 -13.725 1.00 88.36 C +ATOM 135 C GLY A 22 17.894 8.700 -14.793 1.00 88.44 C +ATOM 136 O GLY A 22 17.342 8.843 -15.890 1.00 86.93 O +ATOM 137 N PRO A 23 19.062 9.298 -14.519 1.00 87.91 N +ATOM 138 CA PRO A 23 19.700 10.179 -15.495 1.00 87.76 C +ATOM 139 C PRO A 23 20.199 9.392 -16.695 1.00 87.13 C +ATOM 140 O PRO A 23 20.526 8.208 -16.595 1.00 83.24 O +ATOM 141 CB PRO A 23 20.843 10.812 -14.712 1.00 83.49 C +ATOM 142 CG PRO A 23 21.162 9.803 -13.671 1.00 80.57 C +ATOM 143 CD PRO A 23 19.835 9.194 -13.288 1.00 82.80 C +HETATM 144 N HYP A 24 20.338 10.017 -17.850 1.00 89.27 N +HETATM 145 CA HYP A 24 20.808 9.307 -19.009 1.00 86.52 C +HETATM 146 C HYP A 24 22.246 8.873 -18.858 1.00 88.69 C +HETATM 147 O HYP A 24 23.000 9.615 -18.196 1.00 88.96 O +HETATM 148 CB HYP A 24 20.778 10.398 -20.161 1.00 89.32 C +HETATM 149 CG HYP A 24 19.860 11.462 -19.658 1.00 88.33 C +HETATM 150 CD HYP A 24 19.982 11.385 -18.125 1.00 88.81 C +HETATM 151 OD1 HYP A 24 18.539 11.118 -20.007 1.00 84.25 O +HETATM 152 OXT HYP A 24 22.565 7.820 -19.420 1.00 80.81 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_117.txt b/protein_pdb_117.txt new file mode 100644 index 0000000000000000000000000000000000000000..41eb2ba738a00c4fdb3cd21821da7adf3e847807 --- /dev/null +++ b/protein_pdb_117.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -3.617 6.427 1.625 1.00 74.94 N +ATOM 2 CA GLY A 1 -3.046 5.947 0.379 1.00 79.40 C +ATOM 3 C GLY A 1 -3.865 4.808 -0.190 1.00 82.00 C +ATOM 4 O GLY A 1 -4.890 4.432 0.378 1.00 79.16 O +ATOM 5 N PRO A 2 -3.417 4.232 -1.312 1.00 79.01 N +ATOM 6 CA PRO A 2 -4.147 3.135 -1.933 1.00 83.47 C +ATOM 7 C PRO A 2 -4.000 1.846 -1.132 1.00 84.31 C +ATOM 8 O PRO A 2 -3.132 1.726 -0.276 1.00 83.77 O +ATOM 9 CB PRO A 2 -3.481 3.008 -3.307 1.00 80.12 C +ATOM 10 CG PRO A 2 -2.089 3.469 -3.073 1.00 74.89 C +ATOM 11 CD PRO A 2 -2.198 4.566 -2.052 1.00 74.79 C +HETATM 12 N HYP A 3 -4.829 0.880 -1.410 1.00 85.07 N +HETATM 13 CA HYP A 3 -4.749 -0.409 -0.790 1.00 87.75 C +HETATM 14 C HYP A 3 -3.371 -1.049 -1.031 1.00 84.97 C +HETATM 15 O HYP A 3 -2.720 -0.808 -2.078 1.00 85.39 O +HETATM 16 CB HYP A 3 -5.881 -1.153 -1.476 1.00 83.18 C +HETATM 17 CG HYP A 3 -6.870 -0.087 -1.739 1.00 75.64 C +HETATM 18 CD HYP A 3 -5.987 1.030 -2.225 1.00 80.55 C +HETATM 19 OD1 HYP A 3 -7.534 0.323 -0.569 1.00 81.96 O +ATOM 20 N GLY A 4 -2.896 -1.726 -0.049 1.00 90.64 N +ATOM 21 CA GLY A 4 -1.641 -2.408 -0.157 1.00 89.45 C +ATOM 22 C GLY A 4 -1.724 -3.564 -1.143 1.00 89.22 C +ATOM 23 O GLY A 4 -2.786 -3.838 -1.710 1.00 88.07 O +ATOM 24 N PRO A 5 -0.610 -4.236 -1.339 1.00 89.61 N +ATOM 25 CA PRO A 5 -0.608 -5.363 -2.256 1.00 89.07 C +ATOM 26 C PRO A 5 -1.395 -6.527 -1.686 1.00 89.20 C +ATOM 27 O PRO A 5 -1.636 -6.597 -0.480 1.00 87.55 O +ATOM 28 CB PRO A 5 0.873 -5.707 -2.396 1.00 86.75 C +ATOM 29 CG PRO A 5 1.459 -5.272 -1.100 1.00 85.87 C +ATOM 30 CD PRO A 5 0.690 -4.037 -0.713 1.00 88.13 C +HETATM 31 N HYP A 6 -1.758 -7.453 -2.552 1.00 90.57 N +HETATM 32 CA HYP A 6 -2.441 -8.616 -2.086 1.00 91.65 C +HETATM 33 C HYP A 6 -1.595 -9.432 -1.111 1.00 90.99 C +HETATM 34 O HYP A 6 -0.355 -9.521 -1.236 1.00 88.79 O +HETATM 35 CB HYP A 6 -2.674 -9.386 -3.378 1.00 88.12 C +HETATM 36 CG HYP A 6 -2.780 -8.323 -4.421 1.00 85.95 C +HETATM 37 CD HYP A 6 -1.754 -7.314 -3.975 1.00 88.61 C +HETATM 38 OD1 HYP A 6 -4.037 -7.710 -4.419 1.00 84.87 O +ATOM 39 N GLY A 7 -2.224 -9.877 -0.047 1.00 89.31 N +ATOM 40 CA GLY A 7 -1.552 -10.690 0.934 1.00 87.66 C +ATOM 41 C GLY A 7 -1.409 -12.111 0.432 1.00 88.80 C +ATOM 42 O GLY A 7 -1.630 -12.397 -0.745 1.00 88.22 O +ATOM 43 N PRO A 8 -1.074 -13.018 1.317 1.00 88.30 N +ATOM 44 CA PRO A 8 -1.004 -14.430 0.945 1.00 88.06 C +ATOM 45 C PRO A 8 -2.384 -14.917 0.511 1.00 88.61 C +ATOM 46 O PRO A 8 -3.395 -14.274 0.785 1.00 87.53 O +ATOM 47 CB PRO A 8 -0.563 -15.131 2.229 1.00 85.73 C +ATOM 48 CG PRO A 8 -0.063 -14.059 3.116 1.00 85.41 C +ATOM 49 CD PRO A 8 -0.760 -12.810 2.721 1.00 86.89 C +HETATM 50 N HYP A 9 -2.426 -16.082 -0.172 1.00 86.88 N +HETATM 51 CA HYP A 9 -3.669 -16.638 -0.530 1.00 89.59 C +HETATM 52 C HYP A 9 -4.657 -16.649 0.549 1.00 88.19 C +HETATM 53 O HYP A 9 -4.298 -16.990 1.701 1.00 86.94 O +HETATM 54 CB HYP A 9 -3.304 -18.004 -1.096 1.00 85.40 C +HETATM 55 CG HYP A 9 -1.938 -17.743 -1.691 1.00 82.23 C +HETATM 56 CD HYP A 9 -1.317 -16.764 -0.708 1.00 86.19 C +HETATM 57 OD1 HYP A 9 -2.002 -17.122 -2.943 1.00 81.89 O +ATOM 58 N GLY A 10 -5.903 -16.115 0.314 1.00 88.08 N +ATOM 59 CA GLY A 10 -6.986 -16.065 1.262 1.00 85.45 C +ATOM 60 C GLY A 10 -6.913 -14.940 2.272 1.00 85.56 C +ATOM 61 O GLY A 10 -7.681 -14.922 3.225 1.00 83.99 O +ATOM 62 N MET A 11 -5.997 -13.982 2.104 1.00 88.34 N +ATOM 63 CA MET A 11 -5.791 -12.910 3.067 1.00 88.63 C +ATOM 64 C MET A 11 -5.488 -11.608 2.322 1.00 87.84 C +ATOM 65 O MET A 11 -4.506 -11.539 1.596 1.00 84.84 O +ATOM 66 CB MET A 11 -4.623 -13.277 3.982 1.00 84.31 C +ATOM 67 CG MET A 11 -4.519 -12.454 5.229 1.00 80.22 C +ATOM 68 SD MET A 11 -3.053 -12.896 6.196 1.00 77.03 S +ATOM 69 CE MET A 11 -3.245 -14.667 6.311 1.00 72.21 C +ATOM 70 N PRO A 12 -6.316 -10.548 2.477 1.00 84.44 N +ATOM 71 CA PRO A 12 -6.021 -9.275 1.820 1.00 83.58 C +ATOM 72 C PRO A 12 -4.766 -8.632 2.380 1.00 83.85 C +ATOM 73 O PRO A 12 -4.409 -8.852 3.541 1.00 79.88 O +ATOM 74 CB PRO A 12 -7.234 -8.388 2.136 1.00 79.82 C +ATOM 75 CG PRO A 12 -8.280 -9.295 2.654 1.00 78.01 C +ATOM 76 CD PRO A 12 -7.568 -10.479 3.246 1.00 78.22 C +ATOM 77 N GLY A 13 -4.122 -7.826 1.561 1.00 89.06 N +ATOM 78 CA GLY A 13 -2.993 -7.058 2.042 1.00 87.27 C +ATOM 79 C GLY A 13 -3.480 -5.899 2.886 1.00 88.08 C +ATOM 80 O GLY A 13 -4.677 -5.586 2.903 1.00 87.88 O +ATOM 81 N PRO A 14 -2.583 -5.229 3.612 1.00 85.23 N +ATOM 82 CA PRO A 14 -2.981 -4.091 4.431 1.00 85.87 C +ATOM 83 C PRO A 14 -3.197 -2.859 3.563 1.00 86.42 C +ATOM 84 O PRO A 14 -2.731 -2.794 2.430 1.00 84.62 O +ATOM 85 CB PRO A 14 -1.784 -3.903 5.364 1.00 83.47 C +ATOM 86 CG PRO A 14 -0.628 -4.371 4.555 1.00 82.84 C +ATOM 87 CD PRO A 14 -1.151 -5.527 3.740 1.00 83.01 C +HETATM 88 N HYP A 15 -3.869 -1.899 4.082 1.00 85.08 N +HETATM 89 CA HYP A 15 -4.020 -0.599 3.443 1.00 84.25 C +HETATM 90 C HYP A 15 -2.672 0.039 3.205 1.00 88.45 C +HETATM 91 O HYP A 15 -1.704 -0.216 3.952 1.00 86.77 O +HETATM 92 CB HYP A 15 -4.865 0.110 4.491 1.00 82.22 C +HETATM 93 CG HYP A 15 -5.675 -1.008 5.101 1.00 81.46 C +HETATM 94 CD HYP A 15 -4.670 -2.115 5.231 1.00 85.51 C +HETATM 95 OD1 HYP A 15 -6.734 -1.416 4.260 1.00 82.87 O +ATOM 96 N GLY A 16 -2.593 0.837 2.181 1.00 87.14 N +ATOM 97 CA GLY A 16 -1.378 1.555 1.900 1.00 85.19 C +ATOM 98 C GLY A 16 -1.104 2.613 2.957 1.00 86.13 C +ATOM 99 O GLY A 16 -1.918 2.837 3.857 1.00 86.10 O +ATOM 100 N PRO A 17 0.041 3.291 2.847 1.00 80.62 N +ATOM 101 CA PRO A 17 0.371 4.330 3.819 1.00 80.86 C +ATOM 102 C PRO A 17 -0.529 5.544 3.658 1.00 80.12 C +ATOM 103 O PRO A 17 -1.174 5.720 2.628 1.00 79.88 O +ATOM 104 CB PRO A 17 1.829 4.658 3.489 1.00 79.64 C +ATOM 105 CG PRO A 17 1.983 4.288 2.063 1.00 79.14 C +ATOM 106 CD PRO A 17 1.087 3.107 1.843 1.00 79.85 C +HETATM 107 N HYP A 18 -0.569 6.394 4.630 1.00 82.65 N +HETATM 108 CA HYP A 18 -1.309 7.631 4.573 1.00 84.47 C +HETATM 109 C HYP A 18 -0.865 8.491 3.411 1.00 81.45 C +HETATM 110 O HYP A 18 0.321 8.463 3.008 1.00 85.99 O +HETATM 111 CB HYP A 18 -1.003 8.213 5.913 1.00 79.91 C +HETATM 112 CG HYP A 18 -0.809 7.029 6.811 1.00 79.30 C +HETATM 113 CD HYP A 18 -0.065 6.057 5.942 1.00 85.21 C +HETATM 114 OD1 HYP A 18 -2.029 6.444 7.206 1.00 82.41 O +ATOM 115 N GLY A 19 -1.788 9.240 2.857 1.00 82.42 N +ATOM 116 CA GLY A 19 -1.486 10.170 1.800 1.00 80.16 C +ATOM 117 C GLY A 19 -0.618 11.310 2.303 1.00 81.32 C +ATOM 118 O GLY A 19 -0.313 11.402 3.493 1.00 82.88 O +ATOM 119 N PRO A 20 -0.228 12.202 1.391 1.00 75.11 N +ATOM 120 CA PRO A 20 0.619 13.320 1.793 1.00 76.58 C +ATOM 121 C PRO A 20 -0.129 14.306 2.666 1.00 75.71 C +ATOM 122 O PRO A 20 -1.362 14.337 2.684 1.00 77.55 O +ATOM 123 CB PRO A 20 1.028 13.944 0.455 1.00 74.02 C +ATOM 124 CG PRO A 20 -0.061 13.554 -0.478 1.00 70.01 C +ATOM 125 CD PRO A 20 -0.533 12.203 -0.028 1.00 70.83 C +HETATM 126 N HYP A 21 0.578 15.154 3.386 1.00 81.66 N +HETATM 127 CA HYP A 21 0.013 16.171 4.198 1.00 84.79 C +HETATM 128 C HYP A 21 -0.796 17.185 3.416 1.00 81.39 C +HETATM 129 O HYP A 21 -0.452 17.452 2.227 1.00 86.03 O +HETATM 130 CB HYP A 21 1.270 16.856 4.775 1.00 79.49 C +HETATM 131 CG HYP A 21 2.334 15.791 4.774 1.00 76.61 C +HETATM 132 CD HYP A 21 2.034 15.034 3.513 1.00 83.08 C +HETATM 133 OD1 HYP A 21 2.170 14.914 5.883 1.00 82.90 O +ATOM 134 N GLY A 22 -1.874 17.664 3.971 1.00 80.34 N +ATOM 135 CA GLY A 22 -2.689 18.673 3.343 1.00 79.18 C +ATOM 136 C GLY A 22 -1.943 19.997 3.258 1.00 78.40 C +ATOM 137 O GLY A 22 -0.849 20.147 3.810 1.00 79.32 O +ATOM 138 N PRO A 23 -2.528 20.994 2.589 1.00 81.13 N +ATOM 139 CA PRO A 23 -1.878 22.293 2.472 1.00 83.28 C +ATOM 140 C PRO A 23 -1.887 23.026 3.798 1.00 82.14 C +ATOM 141 O PRO A 23 -2.730 22.774 4.659 1.00 79.41 O +ATOM 142 CB PRO A 23 -2.719 23.017 1.424 1.00 78.81 C +ATOM 143 CG PRO A 23 -4.051 22.387 1.538 1.00 73.49 C +ATOM 144 CD PRO A 23 -3.805 20.949 1.905 1.00 76.42 C +HETATM 145 N HYP A 24 -0.975 23.992 3.974 1.00 85.29 N +HETATM 146 CA HYP A 24 -1.023 24.771 5.202 1.00 83.21 C +HETATM 147 C HYP A 24 -2.205 25.752 5.012 1.00 83.66 C +HETATM 148 O HYP A 24 -2.775 26.131 5.993 1.00 85.66 O +HETATM 149 CB HYP A 24 0.272 25.676 5.059 1.00 83.31 C +HETATM 150 CG HYP A 24 1.189 24.967 4.112 1.00 79.84 C +HETATM 151 CD HYP A 24 0.242 24.193 3.163 1.00 85.66 C +HETATM 152 OD1 HYP A 24 1.936 24.004 4.838 1.00 82.59 O +HETATM 153 OXT HYP A 24 -2.523 26.091 3.860 1.00 80.36 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_118.txt b/protein_pdb_118.txt new file mode 100644 index 0000000000000000000000000000000000000000..e0b30f72aeea52203dd568db465323d09acd5192 --- /dev/null +++ b/protein_pdb_118.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 5.389 -1.875 -13.979 1.00 90.44 N +ATOM 2 CA GLY A 1 5.867 -0.640 -13.392 1.00 91.81 C +ATOM 3 C GLY A 1 6.263 -0.840 -11.950 1.00 92.20 C +ATOM 4 O GLY A 1 6.211 -1.951 -11.428 1.00 90.43 O +ATOM 5 N PRO A 2 6.645 0.248 -11.200 1.00 92.34 N +ATOM 6 CA PRO A 2 7.051 0.157 -9.805 1.00 93.05 C +ATOM 7 C PRO A 2 5.887 -0.164 -8.882 1.00 93.23 C +ATOM 8 O PRO A 2 4.725 0.002 -9.241 1.00 91.85 O +ATOM 9 CB PRO A 2 7.624 1.541 -9.517 1.00 90.86 C +ATOM 10 CG PRO A 2 6.915 2.432 -10.472 1.00 86.81 C +ATOM 11 CD PRO A 2 6.698 1.618 -11.706 1.00 88.98 C +HETATM 12 N HYP A 3 6.235 -0.640 -7.713 1.00 92.05 N +HETATM 13 CA HYP A 3 5.204 -0.849 -6.687 1.00 90.08 C +HETATM 14 C HYP A 3 4.473 0.441 -6.388 1.00 91.18 C +HETATM 15 O HYP A 3 5.075 1.536 -6.491 1.00 94.21 O +HETATM 16 CB HYP A 3 6.037 -1.329 -5.473 1.00 91.83 C +HETATM 17 CG HYP A 3 7.237 -2.020 -6.082 1.00 88.72 C +HETATM 18 CD HYP A 3 7.533 -1.099 -7.304 1.00 91.69 C +HETATM 19 OD1 HYP A 3 6.824 -3.274 -6.528 1.00 91.30 O +ATOM 20 N GLY A 4 3.190 0.281 -6.105 1.00 94.41 N +ATOM 21 CA GLY A 4 2.393 1.419 -5.738 1.00 93.97 C +ATOM 22 C GLY A 4 2.828 2.000 -4.403 1.00 94.10 C +ATOM 23 O GLY A 4 3.617 1.403 -3.676 1.00 94.59 O +ATOM 24 N PRO A 5 2.302 3.176 -4.083 1.00 93.64 N +ATOM 25 CA PRO A 5 2.652 3.814 -2.823 1.00 93.09 C +ATOM 26 C PRO A 5 2.042 3.088 -1.636 1.00 92.70 C +ATOM 27 O PRO A 5 1.101 2.306 -1.786 1.00 91.92 O +ATOM 28 CB PRO A 5 2.078 5.221 -2.973 1.00 91.89 C +ATOM 29 CG PRO A 5 0.919 5.038 -3.890 1.00 89.17 C +ATOM 30 CD PRO A 5 1.334 3.960 -4.851 1.00 91.74 C +HETATM 31 N HYP A 6 2.607 3.365 -0.467 1.00 93.46 N +HETATM 32 CA HYP A 6 2.039 2.805 0.739 1.00 93.75 C +HETATM 33 C HYP A 6 0.619 3.247 0.965 1.00 94.55 C +HETATM 34 O HYP A 6 0.243 4.396 0.570 1.00 93.68 O +HETATM 35 CB HYP A 6 2.971 3.420 1.835 1.00 91.89 C +HETATM 36 CG HYP A 6 4.273 3.656 1.119 1.00 90.05 C +HETATM 37 CD HYP A 6 3.802 4.134 -0.251 1.00 92.37 C +HETATM 38 OD1 HYP A 6 4.955 2.426 0.988 1.00 91.04 O +ATOM 39 N GLY A 7 -0.160 2.353 1.474 1.00 92.13 N +ATOM 40 CA GLY A 7 -1.525 2.683 1.784 1.00 90.95 C +ATOM 41 C GLY A 7 -1.604 3.685 2.916 1.00 91.34 C +ATOM 42 O GLY A 7 -0.611 3.987 3.581 1.00 91.79 O +ATOM 43 N PRO A 8 -2.790 4.215 3.140 1.00 93.90 N +ATOM 44 CA PRO A 8 -2.971 5.169 4.223 1.00 93.45 C +ATOM 45 C PRO A 8 -2.932 4.481 5.577 1.00 93.62 C +ATOM 46 O PRO A 8 -3.076 3.264 5.674 1.00 93.04 O +ATOM 47 CB PRO A 8 -4.349 5.753 3.943 1.00 92.47 C +ATOM 48 CG PRO A 8 -5.074 4.635 3.276 1.00 91.35 C +ATOM 49 CD PRO A 8 -4.032 3.936 2.440 1.00 92.82 C +HETATM 50 N HYP A 9 -2.736 5.302 6.634 1.00 91.49 N +HETATM 51 CA HYP A 9 -2.812 4.774 7.934 1.00 92.85 C +HETATM 52 C HYP A 9 -4.184 4.219 8.245 1.00 92.18 C +HETATM 53 O HYP A 9 -5.188 4.737 7.714 1.00 92.68 O +HETATM 54 CB HYP A 9 -2.553 6.008 8.863 1.00 89.24 C +HETATM 55 CG HYP A 9 -1.759 6.927 8.015 1.00 89.24 C +HETATM 56 CD HYP A 9 -2.332 6.737 6.644 1.00 91.82 C +HETATM 57 OD1 HYP A 9 -0.412 6.499 8.028 1.00 88.37 O +ATOM 58 N GLY A 10 -4.289 3.197 8.996 1.00 91.50 N +ATOM 59 CA GLY A 10 -5.578 2.765 9.488 1.00 89.29 C +ATOM 60 C GLY A 10 -6.117 3.826 10.429 1.00 88.94 C +ATOM 61 O GLY A 10 -5.555 4.916 10.552 1.00 87.60 O +ATOM 62 N LYS A 11 -7.208 3.509 11.115 1.00 93.12 N +ATOM 63 CA LYS A 11 -7.715 4.515 12.040 1.00 94.22 C +ATOM 64 C LYS A 11 -6.681 4.837 13.125 1.00 94.28 C +ATOM 65 O LYS A 11 -6.736 5.890 13.751 1.00 92.57 O +ATOM 66 CB LYS A 11 -9.073 4.115 12.623 1.00 92.48 C +ATOM 67 CG LYS A 11 -9.092 2.910 13.529 1.00 89.20 C +ATOM 68 CD LYS A 11 -10.506 2.666 14.015 1.00 84.43 C +ATOM 69 CE LYS A 11 -10.592 1.509 14.986 1.00 81.20 C +ATOM 70 NZ LYS A 11 -11.969 1.377 15.513 1.00 75.03 N +ATOM 71 N MET A 12 -5.735 3.931 13.298 1.00 94.98 N +ATOM 72 CA MET A 12 -4.546 4.154 14.107 1.00 95.58 C +ATOM 73 C MET A 12 -3.501 3.148 13.661 1.00 95.99 C +ATOM 74 O MET A 12 -3.810 1.970 13.509 1.00 92.17 O +ATOM 75 CB MET A 12 -4.853 3.989 15.596 1.00 94.07 C +ATOM 76 CG MET A 12 -3.701 4.344 16.498 1.00 89.31 C +ATOM 77 SD MET A 12 -4.196 4.488 18.207 1.00 84.86 S +ATOM 78 CE MET A 12 -5.069 6.023 18.167 1.00 76.42 C +ATOM 79 N GLY A 13 -2.287 3.602 13.410 1.00 95.17 N +ATOM 80 CA GLY A 13 -1.229 2.680 13.042 1.00 94.78 C +ATOM 81 C GLY A 13 -0.508 3.086 11.776 1.00 95.13 C +ATOM 82 O GLY A 13 -0.775 4.141 11.202 1.00 94.65 O +ATOM 83 N PRO A 14 0.421 2.254 11.341 1.00 96.00 N +ATOM 84 CA PRO A 14 1.283 2.577 10.214 1.00 95.86 C +ATOM 85 C PRO A 14 0.558 2.516 8.882 1.00 96.01 C +ATOM 86 O PRO A 14 -0.537 1.973 8.766 1.00 94.92 O +ATOM 87 CB PRO A 14 2.374 1.511 10.289 1.00 94.96 C +ATOM 88 CG PRO A 14 1.687 0.345 10.900 1.00 93.72 C +ATOM 89 CD PRO A 14 0.730 0.939 11.897 1.00 94.78 C +HETATM 90 N HYP A 15 1.228 3.094 7.906 1.00 94.77 N +HETATM 91 CA HYP A 15 0.760 2.978 6.541 1.00 93.97 C +HETATM 92 C HYP A 15 0.645 1.572 6.086 1.00 95.38 C +HETATM 93 O HYP A 15 1.376 0.699 6.609 1.00 95.01 O +HETATM 94 CB HYP A 15 1.881 3.748 5.764 1.00 93.25 C +HETATM 95 CG HYP A 15 2.473 4.714 6.792 1.00 92.10 C +HETATM 96 CD HYP A 15 2.425 3.902 8.085 1.00 93.97 C +HETATM 97 OD1 HYP A 15 1.673 5.859 6.884 1.00 92.58 O +ATOM 98 N GLY A 16 -0.247 1.306 5.178 1.00 96.54 N +ATOM 99 CA GLY A 16 -0.380 -0.005 4.601 1.00 96.27 C +ATOM 100 C GLY A 16 0.812 -0.349 3.726 1.00 96.41 C +ATOM 101 O GLY A 16 1.679 0.482 3.472 1.00 96.25 O +ATOM 102 N PRO A 17 0.853 -1.595 3.260 1.00 95.43 N +ATOM 103 CA PRO A 17 1.958 -2.032 2.423 1.00 95.05 C +ATOM 104 C PRO A 17 1.904 -1.397 1.046 1.00 95.32 C +ATOM 105 O PRO A 17 0.869 -0.899 0.614 1.00 94.02 O +ATOM 106 CB PRO A 17 1.763 -3.544 2.350 1.00 94.27 C +ATOM 107 CG PRO A 17 0.293 -3.725 2.522 1.00 92.52 C +ATOM 108 CD PRO A 17 -0.135 -2.649 3.483 1.00 94.18 C +HETATM 109 N HYP A 18 3.038 -1.435 0.363 1.00 93.17 N +HETATM 110 CA HYP A 18 3.096 -0.980 -0.995 1.00 93.35 C +HETATM 111 C HYP A 18 2.151 -1.731 -1.890 1.00 94.46 C +HETATM 112 O HYP A 18 1.876 -2.937 -1.661 1.00 93.88 O +HETATM 113 CB HYP A 18 4.561 -1.291 -1.407 1.00 91.83 C +HETATM 114 CG HYP A 18 5.331 -1.245 -0.097 1.00 90.48 C +HETATM 115 CD HYP A 18 4.331 -1.863 0.872 1.00 93.04 C +HETATM 116 OD1 HYP A 18 5.559 0.114 0.272 1.00 91.84 O +ATOM 117 N GLY A 19 1.625 -1.055 -2.853 1.00 93.83 N +ATOM 118 CA GLY A 19 0.784 -1.688 -3.833 1.00 93.48 C +ATOM 119 C GLY A 19 1.586 -2.605 -4.738 1.00 93.70 C +ATOM 120 O GLY A 19 2.813 -2.632 -4.702 1.00 94.59 O +ATOM 121 N PRO A 20 0.878 -3.366 -5.560 1.00 90.73 N +ATOM 122 CA PRO A 20 1.543 -4.275 -6.477 1.00 90.66 C +ATOM 123 C PRO A 20 2.225 -3.523 -7.607 1.00 90.71 C +ATOM 124 O PRO A 20 1.960 -2.347 -7.840 1.00 90.82 O +ATOM 125 CB PRO A 20 0.393 -5.140 -6.995 1.00 89.29 C +ATOM 126 CG PRO A 20 -0.791 -4.238 -6.917 1.00 85.93 C +ATOM 127 CD PRO A 20 -0.574 -3.393 -5.699 1.00 87.48 C +HETATM 128 N HYP A 21 3.129 -4.233 -8.283 1.00 90.95 N +HETATM 129 CA HYP A 21 3.728 -3.673 -9.468 1.00 90.26 C +HETATM 130 C HYP A 21 2.737 -3.213 -10.498 1.00 90.37 C +HETATM 131 O HYP A 21 1.666 -3.816 -10.620 1.00 94.77 O +HETATM 132 CB HYP A 21 4.607 -4.802 -10.004 1.00 89.05 C +HETATM 133 CG HYP A 21 4.975 -5.614 -8.774 1.00 83.75 C +HETATM 134 CD HYP A 21 3.712 -5.550 -7.948 1.00 91.35 C +HETATM 135 OD1 HYP A 21 6.013 -4.949 -8.059 1.00 88.07 O +ATOM 136 N GLY A 22 3.030 -2.109 -11.148 1.00 92.30 N +ATOM 137 CA GLY A 22 2.190 -1.614 -12.198 1.00 90.69 C +ATOM 138 C GLY A 22 2.214 -2.532 -13.412 1.00 90.72 C +ATOM 139 O GLY A 22 2.900 -3.553 -13.422 1.00 91.07 O +ATOM 140 N PRO A 23 1.473 -2.168 -14.453 1.00 93.81 N +ATOM 141 CA PRO A 23 1.426 -2.998 -15.649 1.00 93.49 C +ATOM 142 C PRO A 23 2.771 -3.031 -16.348 1.00 92.32 C +ATOM 143 O PRO A 23 3.601 -2.150 -16.180 1.00 89.44 O +ATOM 144 CB PRO A 23 0.353 -2.338 -16.505 1.00 91.41 C +ATOM 145 CG PRO A 23 0.357 -0.920 -16.059 1.00 88.25 C +ATOM 146 CD PRO A 23 0.682 -0.961 -14.588 1.00 91.57 C +HETATM 147 N HYP A 24 3.024 -3.980 -17.099 1.00 93.16 N +HETATM 148 CA HYP A 24 4.340 -4.131 -17.754 1.00 86.23 C +HETATM 149 C HYP A 24 5.046 -2.838 -17.986 1.00 91.09 C +HETATM 150 O HYP A 24 5.730 -2.616 -18.992 1.00 88.66 O +HETATM 151 CB HYP A 24 4.039 -4.880 -19.026 1.00 88.02 C +HETATM 152 CG HYP A 24 2.699 -5.518 -18.858 1.00 86.59 C +HETATM 153 CD HYP A 24 1.997 -4.719 -17.778 1.00 91.14 C +HETATM 154 OD1 HYP A 24 2.836 -6.843 -18.351 1.00 86.16 O +HETATM 155 OXT HYP A 24 5.029 -1.982 -17.141 1.00 85.24 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_119.txt b/protein_pdb_119.txt new file mode 100644 index 0000000000000000000000000000000000000000..c7ab02fe8fbfbba325af2a60ce33efabdf972048 --- /dev/null +++ b/protein_pdb_119.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -20.199 26.980 -10.804 1.00 88.61 N +ATOM 2 CA GLY A 1 -19.298 27.052 -9.656 1.00 90.74 C +ATOM 3 C GLY A 1 -17.900 26.594 -10.017 1.00 91.33 C +ATOM 4 O GLY A 1 -17.679 26.080 -11.109 1.00 88.21 O +ATOM 5 N PRO A 2 -16.949 26.756 -9.117 1.00 91.81 N +ATOM 6 CA PRO A 2 -15.572 26.337 -9.379 1.00 93.29 C +ATOM 7 C PRO A 2 -15.455 24.813 -9.440 1.00 93.63 C +ATOM 8 O PRO A 2 -16.305 24.093 -8.936 1.00 91.63 O +ATOM 9 CB PRO A 2 -14.789 26.904 -8.200 1.00 90.41 C +ATOM 10 CG PRO A 2 -15.789 26.985 -7.104 1.00 87.13 C +ATOM 11 CD PRO A 2 -17.097 27.306 -7.774 1.00 89.29 C +HETATM 12 N HYP A 3 -14.464 24.394 -10.077 1.00 93.97 N +HETATM 13 CA HYP A 3 -14.105 22.943 -10.126 1.00 91.75 C +HETATM 14 C HYP A 3 -13.964 22.352 -8.743 1.00 93.25 C +HETATM 15 O HYP A 3 -13.527 23.062 -7.814 1.00 93.16 O +HETATM 16 CB HYP A 3 -12.825 22.933 -10.909 1.00 91.43 C +HETATM 17 CG HYP A 3 -12.835 24.202 -11.746 1.00 89.42 C +HETATM 18 CD HYP A 3 -13.508 25.215 -10.789 1.00 92.93 C +HETATM 19 OD1 HYP A 3 -13.619 24.073 -12.887 1.00 91.81 O +ATOM 20 N GLY A 4 -14.356 21.082 -8.586 1.00 92.80 N +ATOM 21 CA GLY A 4 -14.224 20.414 -7.316 1.00 91.55 C +ATOM 22 C GLY A 4 -12.765 20.204 -6.943 1.00 91.24 C +ATOM 23 O GLY A 4 -11.867 20.373 -7.772 1.00 90.88 O +ATOM 24 N PRO A 5 -12.515 19.823 -5.684 1.00 94.90 N +ATOM 25 CA PRO A 5 -11.142 19.582 -5.234 1.00 94.88 C +ATOM 26 C PRO A 5 -10.571 18.314 -5.844 1.00 95.11 C +ATOM 27 O PRO A 5 -11.304 17.456 -6.329 1.00 94.37 O +ATOM 28 CB PRO A 5 -11.281 19.464 -3.718 1.00 93.44 C +ATOM 29 CG PRO A 5 -12.661 18.942 -3.532 1.00 91.24 C +ATOM 30 CD PRO A 5 -13.489 19.563 -4.640 1.00 92.95 C +HETATM 31 N HYP A 6 -9.288 18.226 -5.840 1.00 94.39 N +HETATM 32 CA HYP A 6 -8.596 16.954 -6.212 1.00 94.65 C +HETATM 33 C HYP A 6 -9.074 15.781 -5.418 1.00 92.66 C +HETATM 34 O HYP A 6 -9.422 15.956 -4.231 1.00 93.86 O +HETATM 35 CB HYP A 6 -7.123 17.314 -6.001 1.00 90.09 C +HETATM 36 CG HYP A 6 -7.067 18.830 -6.166 1.00 87.58 C +HETATM 37 CD HYP A 6 -8.379 19.259 -5.525 1.00 91.48 C +HETATM 38 OD1 HYP A 6 -7.052 19.202 -7.510 1.00 90.92 O +ATOM 39 N GLY A 7 -9.117 14.592 -6.025 1.00 95.61 N +ATOM 40 CA GLY A 7 -9.543 13.392 -5.353 1.00 94.66 C +ATOM 41 C GLY A 7 -8.588 12.993 -4.247 1.00 94.72 C +ATOM 42 O GLY A 7 -7.492 13.540 -4.119 1.00 94.36 O +ATOM 43 N PRO A 8 -8.996 12.014 -3.432 1.00 94.52 N +ATOM 44 CA PRO A 8 -8.153 11.539 -2.338 1.00 94.36 C +ATOM 45 C PRO A 8 -6.966 10.742 -2.850 1.00 94.41 C +ATOM 46 O PRO A 8 -6.947 10.298 -3.999 1.00 93.42 O +ATOM 47 CB PRO A 8 -9.095 10.669 -1.516 1.00 93.09 C +ATOM 48 CG PRO A 8 -10.065 10.151 -2.524 1.00 91.53 C +ATOM 49 CD PRO A 8 -10.248 11.280 -3.509 1.00 92.96 C +HETATM 50 N HYP A 9 -5.997 10.553 -2.028 1.00 93.37 N +HETATM 51 CA HYP A 9 -4.858 9.693 -2.326 1.00 91.99 C +HETATM 52 C HYP A 9 -5.273 8.287 -2.645 1.00 92.75 C +HETATM 53 O HYP A 9 -6.267 7.797 -2.073 1.00 89.60 O +HETATM 54 CB HYP A 9 -4.019 9.693 -0.990 1.00 89.00 C +HETATM 55 CG HYP A 9 -4.389 10.989 -0.344 1.00 86.61 C +HETATM 56 CD HYP A 9 -5.861 11.150 -0.721 1.00 90.42 C +HETATM 57 OD1 HYP A 9 -3.648 12.057 -0.916 1.00 84.83 O +ATOM 58 N GLY A 10 -4.574 7.631 -3.521 1.00 95.53 N +ATOM 59 CA GLY A 10 -4.871 6.260 -3.866 1.00 94.47 C +ATOM 60 C GLY A 10 -4.666 5.330 -2.679 1.00 94.33 C +ATOM 61 O GLY A 10 -4.149 5.727 -1.635 1.00 93.67 O +ATOM 62 N PRO A 11 -5.054 4.055 -2.847 1.00 95.19 N +ATOM 63 CA PRO A 11 -4.890 3.101 -1.755 1.00 94.31 C +ATOM 64 C PRO A 11 -3.425 2.812 -1.467 1.00 93.73 C +ATOM 65 O PRO A 11 -2.556 2.963 -2.330 1.00 90.54 O +ATOM 66 CB PRO A 11 -5.620 1.849 -2.250 1.00 92.86 C +ATOM 67 CG PRO A 11 -5.584 1.973 -3.733 1.00 91.54 C +ATOM 68 CD PRO A 11 -5.646 3.446 -4.028 1.00 93.31 C +ATOM 69 N LYS A 12 -3.160 2.391 -0.234 1.00 94.18 N +ATOM 70 CA LYS A 12 -1.808 2.003 0.157 1.00 93.31 C +ATOM 71 C LYS A 12 -1.360 0.802 -0.681 1.00 93.88 C +ATOM 72 O LYS A 12 -2.165 -0.055 -1.033 1.00 92.07 O +ATOM 73 CB LYS A 12 -1.785 1.654 1.651 1.00 89.71 C +ATOM 74 CG LYS A 12 -0.426 1.264 2.189 1.00 83.14 C +ATOM 75 CD LYS A 12 -0.491 0.877 3.658 1.00 80.36 C +ATOM 76 CE LYS A 12 -0.332 2.064 4.576 1.00 74.74 C +ATOM 77 NZ LYS A 12 1.066 2.556 4.618 1.00 70.51 N +ATOM 78 N GLY A 13 -0.079 0.781 -0.998 1.00 94.36 N +ATOM 79 CA GLY A 13 0.474 -0.326 -1.759 1.00 93.41 C +ATOM 80 C GLY A 13 0.420 -1.642 -0.999 1.00 93.74 C +ATOM 81 O GLY A 13 0.157 -1.662 0.206 1.00 92.96 O +ATOM 82 N PRO A 14 0.680 -2.758 -1.686 1.00 94.13 N +ATOM 83 CA PRO A 14 0.631 -4.065 -1.038 1.00 94.47 C +ATOM 84 C PRO A 14 1.778 -4.251 -0.055 1.00 94.81 C +ATOM 85 O PRO A 14 2.788 -3.558 -0.123 1.00 93.16 O +ATOM 86 CB PRO A 14 0.733 -5.049 -2.210 1.00 92.89 C +ATOM 87 CG PRO A 14 1.485 -4.291 -3.247 1.00 91.34 C +ATOM 88 CD PRO A 14 1.043 -2.863 -3.093 1.00 92.47 C +HETATM 89 N HYP A 15 1.639 -5.208 0.840 1.00 88.87 N +HETATM 90 CA HYP A 15 2.688 -5.581 1.763 1.00 89.56 C +HETATM 91 C HYP A 15 3.953 -6.022 1.021 1.00 94.28 C +HETATM 92 O HYP A 15 3.829 -6.545 -0.103 1.00 84.31 O +HETATM 93 CB HYP A 15 2.050 -6.732 2.546 1.00 88.18 C +HETATM 94 CG HYP A 15 0.563 -6.438 2.482 1.00 84.47 C +HETATM 95 CD HYP A 15 0.408 -5.917 1.083 1.00 88.40 C +HETATM 96 OD1 HYP A 15 0.170 -5.437 3.402 1.00 90.33 O +ATOM 97 N GLY A 16 5.073 -5.801 1.585 1.00 94.63 N +ATOM 98 CA GLY A 16 6.296 -6.286 1.002 1.00 93.65 C +ATOM 99 C GLY A 16 6.353 -7.806 1.017 1.00 94.14 C +ATOM 100 O GLY A 16 5.511 -8.466 1.638 1.00 93.95 O +ATOM 101 N PRO A 17 7.353 -8.379 0.340 1.00 91.81 N +ATOM 102 CA PRO A 17 7.479 -9.830 0.295 1.00 92.25 C +ATOM 103 C PRO A 17 7.897 -10.397 1.644 1.00 92.33 C +ATOM 104 O PRO A 17 8.422 -9.693 2.495 1.00 91.47 O +ATOM 105 CB PRO A 17 8.558 -10.055 -0.764 1.00 90.76 C +ATOM 106 CG PRO A 17 9.374 -8.815 -0.719 1.00 88.47 C +ATOM 107 CD PRO A 17 8.408 -7.703 -0.405 1.00 89.78 C +HETATM 108 N HYP A 18 7.682 -11.662 1.827 1.00 91.99 N +HETATM 109 CA HYP A 18 8.140 -12.368 3.002 1.00 91.66 C +HETATM 110 C HYP A 18 9.650 -12.265 3.192 1.00 89.77 C +HETATM 111 O HYP A 18 10.380 -12.204 2.175 1.00 90.68 O +HETATM 112 CB HYP A 18 7.698 -13.797 2.755 1.00 90.52 C +HETATM 113 CG HYP A 18 6.519 -13.704 1.821 1.00 89.27 C +HETATM 114 CD HYP A 18 6.894 -12.515 0.968 1.00 88.91 C +HETATM 115 OD1 HYP A 18 5.328 -13.404 2.517 1.00 91.65 O +ATOM 116 N GLY A 19 10.102 -12.199 4.403 1.00 92.44 N +ATOM 117 CA GLY A 19 11.513 -12.135 4.673 1.00 91.77 C +ATOM 118 C GLY A 19 12.228 -13.387 4.191 1.00 92.14 C +ATOM 119 O GLY A 19 11.595 -14.383 3.833 1.00 91.38 O +ATOM 120 N PRO A 20 13.565 -13.351 4.204 1.00 93.50 N +ATOM 121 CA PRO A 20 14.331 -14.503 3.754 1.00 93.27 C +ATOM 122 C PRO A 20 14.228 -15.660 4.737 1.00 93.34 C +ATOM 123 O PRO A 20 13.882 -15.477 5.901 1.00 91.73 O +ATOM 124 CB PRO A 20 15.757 -13.965 3.671 1.00 91.07 C +ATOM 125 CG PRO A 20 15.782 -12.866 4.672 1.00 88.45 C +ATOM 126 CD PRO A 20 14.413 -12.248 4.636 1.00 90.92 C +HETATM 127 N HYP A 21 14.556 -16.845 4.300 1.00 94.66 N +HETATM 128 CA HYP A 21 14.567 -18.024 5.122 1.00 92.89 C +HETATM 129 C HYP A 21 15.562 -17.903 6.277 1.00 94.75 C +HETATM 130 O HYP A 21 16.597 -17.235 6.117 1.00 93.42 O +HETATM 131 CB HYP A 21 15.032 -19.159 4.183 1.00 92.46 C +HETATM 132 CG HYP A 21 14.679 -18.678 2.785 1.00 90.29 C +HETATM 133 CD HYP A 21 14.874 -17.174 2.904 1.00 93.30 C +HETATM 134 OD1 HYP A 21 13.305 -18.924 2.510 1.00 91.38 O +ATOM 135 N GLY A 22 15.262 -18.428 7.416 1.00 91.64 N +ATOM 136 CA GLY A 22 16.162 -18.411 8.542 1.00 91.25 C +ATOM 137 C GLY A 22 17.426 -19.206 8.240 1.00 91.94 C +ATOM 138 O GLY A 22 17.516 -19.895 7.222 1.00 90.56 O +ATOM 139 N PRO A 23 18.419 -19.147 9.144 1.00 92.20 N +ATOM 140 CA PRO A 23 19.652 -19.896 8.924 1.00 92.75 C +ATOM 141 C PRO A 23 19.415 -21.392 8.992 1.00 92.60 C +ATOM 142 O PRO A 23 18.464 -21.859 9.615 1.00 89.34 O +ATOM 143 CB PRO A 23 20.583 -19.426 10.047 1.00 89.71 C +ATOM 144 CG PRO A 23 19.754 -18.644 10.968 1.00 86.63 C +ATOM 145 CD PRO A 23 18.411 -18.389 10.378 1.00 89.40 C +HETATM 146 N HYP A 24 20.290 -22.192 8.422 1.00 92.27 N +HETATM 147 CA HYP A 24 20.101 -23.630 8.420 1.00 88.53 C +HETATM 148 C HYP A 24 20.096 -24.180 9.843 1.00 89.75 C +HETATM 149 O HYP A 24 20.841 -23.642 10.680 1.00 89.46 O +HETATM 150 CB HYP A 24 21.353 -24.211 7.670 1.00 91.68 C +HETATM 151 CG HYP A 24 21.895 -23.042 6.886 1.00 90.14 C +HETATM 152 CD HYP A 24 21.505 -21.803 7.718 1.00 90.59 C +HETATM 153 OD1 HYP A 24 21.219 -22.978 5.637 1.00 86.29 O +HETATM 154 OXT HYP A 24 19.348 -25.149 10.065 1.00 84.77 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_12.txt b/protein_pdb_12.txt new file mode 100644 index 0000000000000000000000000000000000000000..89ca0d6d14c3b637d013cbb9ac7f2ac2ec90f75f --- /dev/null +++ b/protein_pdb_12.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 33.316 -6.616 9.763 1.00 82.24 N +ATOM 2 CA GLY A 1 33.022 -6.649 8.338 1.00 86.00 C +ATOM 3 C GLY A 1 32.099 -5.523 7.931 1.00 86.80 C +ATOM 4 O GLY A 1 31.556 -4.819 8.789 1.00 83.84 O +ATOM 5 N PRO A 2 31.905 -5.324 6.655 1.00 83.91 N +ATOM 6 CA PRO A 2 31.021 -4.261 6.181 1.00 88.07 C +ATOM 7 C PRO A 2 29.563 -4.573 6.484 1.00 87.91 C +ATOM 8 O PRO A 2 29.195 -5.718 6.738 1.00 86.11 O +ATOM 9 CB PRO A 2 31.278 -4.222 4.676 1.00 85.42 C +ATOM 10 CG PRO A 2 31.683 -5.627 4.351 1.00 81.51 C +ATOM 11 CD PRO A 2 32.469 -6.102 5.548 1.00 82.15 C +HETATM 12 N HYP A 3 28.812 -3.588 6.495 1.00 85.97 N +HETATM 13 CA HYP A 3 27.339 -3.736 6.627 1.00 86.75 C +HETATM 14 C HYP A 3 26.778 -4.634 5.581 1.00 86.17 C +HETATM 15 O HYP A 3 27.290 -4.697 4.451 1.00 87.28 O +HETATM 16 CB HYP A 3 26.839 -2.330 6.570 1.00 83.07 C +HETATM 17 CG HYP A 3 28.009 -1.485 7.053 1.00 83.33 C +HETATM 18 CD HYP A 3 29.196 -2.224 6.418 1.00 85.75 C +HETATM 19 OD1 HYP A 3 28.143 -1.536 8.440 1.00 87.79 O +ATOM 20 N GLY A 4 25.717 -5.381 5.927 1.00 90.34 N +ATOM 21 CA GLY A 4 25.066 -6.257 4.984 1.00 89.45 C +ATOM 22 C GLY A 4 24.347 -5.471 3.900 1.00 88.82 C +ATOM 23 O GLY A 4 24.223 -4.244 3.977 1.00 87.33 O +ATOM 24 N PRO A 5 23.862 -6.166 2.883 1.00 90.31 N +ATOM 25 CA PRO A 5 23.155 -5.494 1.803 1.00 89.67 C +ATOM 26 C PRO A 5 21.807 -4.953 2.265 1.00 89.50 C +ATOM 27 O PRO A 5 21.256 -5.402 3.262 1.00 88.18 O +ATOM 28 CB PRO A 5 22.981 -6.591 0.752 1.00 87.89 C +ATOM 29 CG PRO A 5 22.955 -7.850 1.564 1.00 86.58 C +ATOM 30 CD PRO A 5 23.919 -7.609 2.696 1.00 87.63 C +HETATM 31 N HYP A 6 21.333 -3.990 1.552 1.00 86.47 N +HETATM 32 CA HYP A 6 19.972 -3.482 1.821 1.00 89.55 C +HETATM 33 C HYP A 6 18.949 -4.587 1.727 1.00 88.29 C +HETATM 34 O HYP A 6 19.117 -5.545 0.946 1.00 87.99 O +HETATM 35 CB HYP A 6 19.795 -2.454 0.693 1.00 86.96 C +HETATM 36 CG HYP A 6 21.198 -1.993 0.383 1.00 83.97 C +HETATM 37 CD HYP A 6 22.006 -3.285 0.523 1.00 86.14 C +HETATM 38 OD1 HYP A 6 21.642 -1.059 1.337 1.00 86.12 O +ATOM 39 N GLY A 7 17.892 -4.465 2.542 1.00 91.51 N +ATOM 40 CA GLY A 7 16.812 -5.416 2.506 1.00 90.26 C +ATOM 41 C GLY A 7 16.013 -5.305 1.223 1.00 90.30 C +ATOM 42 O GLY A 7 16.199 -4.378 0.433 1.00 89.30 O +ATOM 43 N PRO A 8 15.102 -6.236 1.005 1.00 87.90 N +ATOM 44 CA PRO A 8 14.279 -6.204 -0.197 1.00 87.66 C +ATOM 45 C PRO A 8 13.271 -5.066 -0.144 1.00 87.81 C +ATOM 46 O PRO A 8 12.963 -4.543 0.919 1.00 85.55 O +ATOM 47 CB PRO A 8 13.586 -7.565 -0.193 1.00 85.36 C +ATOM 48 CG PRO A 8 13.514 -7.916 1.252 1.00 85.20 C +ATOM 49 CD PRO A 8 14.780 -7.373 1.860 1.00 85.92 C +HETATM 50 N HYP A 9 12.754 -4.668 -1.287 1.00 87.88 N +HETATM 51 CA HYP A 9 11.678 -3.691 -1.331 1.00 89.79 C +HETATM 52 C HYP A 9 10.516 -4.137 -0.516 1.00 88.89 C +HETATM 53 O HYP A 9 10.251 -5.354 -0.389 1.00 88.72 O +HETATM 54 CB HYP A 9 11.364 -3.692 -2.872 1.00 88.46 C +HETATM 55 CG HYP A 9 12.666 -4.042 -3.510 1.00 86.66 C +HETATM 56 CD HYP A 9 13.239 -5.082 -2.561 1.00 88.79 C +HETATM 57 OD1 HYP A 9 13.547 -2.916 -3.532 1.00 86.19 O +ATOM 58 N GLY A 10 9.768 -3.156 0.022 1.00 90.80 N +ATOM 59 CA GLY A 10 8.574 -3.450 0.779 1.00 89.35 C +ATOM 60 C GLY A 10 7.500 -4.079 -0.087 1.00 89.74 C +ATOM 61 O GLY A 10 7.611 -4.110 -1.315 1.00 88.39 O +ATOM 62 N PRO A 11 6.444 -4.585 0.541 1.00 89.24 N +ATOM 63 CA PRO A 11 5.364 -5.219 -0.210 1.00 88.98 C +ATOM 64 C PRO A 11 4.563 -4.193 -1.005 1.00 89.24 C +ATOM 65 O PRO A 11 4.555 -3.011 -0.682 1.00 86.99 O +ATOM 66 CB PRO A 11 4.518 -5.870 0.871 1.00 87.15 C +ATOM 67 CG PRO A 11 4.747 -5.015 2.066 1.00 87.18 C +ATOM 68 CD PRO A 11 6.193 -4.592 1.985 1.00 87.55 C +HETATM 69 N HYP A 12 3.885 -4.630 -2.014 1.00 90.07 N +HETATM 70 CA HYP A 12 2.963 -3.768 -2.759 1.00 88.48 C +HETATM 71 C HYP A 12 1.887 -3.216 -1.857 1.00 91.35 C +HETATM 72 O HYP A 12 1.519 -3.842 -0.842 1.00 89.53 O +HETATM 73 CB HYP A 12 2.345 -4.822 -3.755 1.00 87.56 C +HETATM 74 CG HYP A 12 3.420 -5.830 -3.937 1.00 84.93 C +HETATM 75 CD HYP A 12 4.010 -5.941 -2.557 1.00 89.26 C +HETATM 76 OD1 HYP A 12 4.441 -5.361 -4.805 1.00 87.35 O +ATOM 77 N GLY A 13 1.418 -2.032 -2.189 1.00 92.12 N +ATOM 78 CA GLY A 13 0.350 -1.434 -1.434 1.00 90.67 C +ATOM 79 C GLY A 13 -0.938 -2.233 -1.568 1.00 91.21 C +ATOM 80 O GLY A 13 -1.034 -3.149 -2.384 1.00 90.87 O +ATOM 81 N PRO A 14 -1.935 -1.878 -0.767 1.00 90.73 N +ATOM 82 CA PRO A 14 -3.208 -2.590 -0.834 1.00 90.97 C +ATOM 83 C PRO A 14 -3.955 -2.262 -2.118 1.00 91.02 C +ATOM 84 O PRO A 14 -3.710 -1.241 -2.746 1.00 89.28 O +ATOM 85 CB PRO A 14 -3.954 -2.085 0.401 1.00 89.60 C +ATOM 86 CG PRO A 14 -3.401 -0.724 0.621 1.00 88.98 C +ATOM 87 CD PRO A 14 -1.942 -0.827 0.248 1.00 89.98 C +HETATM 88 N HYP A 15 -4.893 -3.123 -2.515 1.00 86.98 N +HETATM 89 CA HYP A 15 -5.742 -2.831 -3.629 1.00 89.95 C +HETATM 90 C HYP A 15 -6.539 -1.547 -3.435 1.00 86.75 C +HETATM 91 O HYP A 15 -6.845 -1.167 -2.302 1.00 88.19 O +HETATM 92 CB HYP A 15 -6.694 -4.061 -3.629 1.00 85.98 C +HETATM 93 CG HYP A 15 -5.859 -5.139 -3.039 1.00 82.95 C +HETATM 94 CD HYP A 15 -5.096 -4.414 -1.970 1.00 87.35 C +HETATM 95 OD1 HYP A 15 -4.931 -5.655 -3.968 1.00 88.44 O +ATOM 96 N GLY A 16 -6.794 -0.859 -4.511 1.00 90.54 N +ATOM 97 CA GLY A 16 -7.573 0.344 -4.442 1.00 88.69 C +ATOM 98 C GLY A 16 -9.000 0.054 -3.994 1.00 89.73 C +ATOM 99 O GLY A 16 -9.427 -1.106 -3.950 1.00 89.53 O +ATOM 100 N PRO A 17 -9.739 1.107 -3.674 1.00 86.52 N +ATOM 101 CA PRO A 17 -11.120 0.913 -3.240 1.00 87.76 C +ATOM 102 C PRO A 17 -12.006 0.482 -4.395 1.00 87.32 C +ATOM 103 O PRO A 17 -11.680 0.690 -5.559 1.00 86.11 O +ATOM 104 CB PRO A 17 -11.514 2.290 -2.708 1.00 86.04 C +ATOM 105 CG PRO A 17 -10.663 3.224 -3.488 1.00 83.80 C +ATOM 106 CD PRO A 17 -9.349 2.510 -3.678 1.00 85.11 C +HETATM 107 N HYP A 18 -13.138 -0.124 -4.109 1.00 85.25 N +HETATM 108 CA HYP A 18 -14.122 -0.443 -5.103 1.00 90.27 C +HETATM 109 C HYP A 18 -14.561 0.765 -5.880 1.00 86.15 C +HETATM 110 O HYP A 18 -14.558 1.892 -5.363 1.00 88.93 O +HETATM 111 CB HYP A 18 -15.260 -1.018 -4.284 1.00 88.19 C +HETATM 112 CG HYP A 18 -14.582 -1.602 -3.101 1.00 84.21 C +HETATM 113 CD HYP A 18 -13.481 -0.602 -2.830 1.00 86.79 C +HETATM 114 OD1 HYP A 18 -13.985 -2.850 -3.397 1.00 89.42 O +ATOM 115 N GLY A 19 -14.884 0.577 -7.147 1.00 89.62 N +ATOM 116 CA GLY A 19 -15.376 1.650 -7.965 1.00 88.36 C +ATOM 117 C GLY A 19 -16.724 2.151 -7.478 1.00 88.42 C +ATOM 118 O GLY A 19 -17.346 1.547 -6.594 1.00 87.23 O +ATOM 119 N PRO A 20 -17.195 3.248 -8.050 1.00 82.81 N +ATOM 120 CA PRO A 20 -18.479 3.797 -7.642 1.00 83.08 C +ATOM 121 C PRO A 20 -19.630 2.920 -8.097 1.00 82.31 C +ATOM 122 O PRO A 20 -19.487 2.093 -8.989 1.00 80.81 O +ATOM 123 CB PRO A 20 -18.499 5.162 -8.328 1.00 79.98 C +ATOM 124 CG PRO A 20 -17.656 4.963 -9.539 1.00 76.50 C +ATOM 125 CD PRO A 20 -16.559 4.025 -9.111 1.00 78.48 C +HETATM 126 N HYP A 21 -20.810 3.060 -7.507 1.00 89.16 N +HETATM 127 CA HYP A 21 -21.973 2.366 -7.908 1.00 89.49 C +HETATM 128 C HYP A 21 -22.342 2.608 -9.360 1.00 90.49 C +HETATM 129 O HYP A 21 -22.051 3.684 -9.883 1.00 89.14 O +HETATM 130 CB HYP A 21 -23.067 2.948 -7.002 1.00 89.53 C +HETATM 131 CG HYP A 21 -22.330 3.367 -5.775 1.00 87.68 C +HETATM 132 CD HYP A 21 -21.018 3.884 -6.352 1.00 89.61 C +HETATM 133 OD1 HYP A 21 -22.044 2.257 -4.942 1.00 88.03 O +ATOM 134 N GLY A 22 -22.925 1.654 -10.017 1.00 85.04 N +ATOM 135 CA GLY A 22 -23.360 1.816 -11.377 1.00 83.28 C +ATOM 136 C GLY A 22 -24.431 2.891 -11.495 1.00 82.20 C +ATOM 137 O GLY A 22 -24.965 3.368 -10.494 1.00 80.11 O +ATOM 138 N PRO A 23 -24.774 3.258 -12.725 1.00 81.63 N +ATOM 139 CA PRO A 23 -25.785 4.292 -12.929 1.00 82.98 C +ATOM 140 C PRO A 23 -27.165 3.787 -12.557 1.00 82.14 C +ATOM 141 O PRO A 23 -27.420 2.584 -12.531 1.00 78.22 O +ATOM 142 CB PRO A 23 -25.672 4.607 -14.416 1.00 77.53 C +ATOM 143 CG PRO A 23 -25.192 3.333 -15.009 1.00 72.37 C +ATOM 144 CD PRO A 23 -24.258 2.745 -13.993 1.00 72.88 C +HETATM 145 N HYP A 24 -28.094 4.648 -12.301 1.00 85.29 N +HETATM 146 CA HYP A 24 -29.432 4.187 -12.044 1.00 85.01 C +HETATM 147 C HYP A 24 -29.967 3.569 -13.331 1.00 85.56 C +HETATM 148 O HYP A 24 -30.600 2.590 -13.210 1.00 82.86 O +HETATM 149 CB HYP A 24 -30.230 5.519 -11.835 1.00 86.59 C +HETATM 150 CG HYP A 24 -29.222 6.537 -11.442 1.00 86.16 C +HETATM 151 CD HYP A 24 -27.940 6.073 -12.137 1.00 84.67 C +HETATM 152 OD1 HYP A 24 -29.005 6.446 -10.050 1.00 81.81 O +HETATM 153 OXT HYP A 24 -29.678 4.136 -14.412 1.00 78.57 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_120.txt b/protein_pdb_120.txt new file mode 100644 index 0000000000000000000000000000000000000000..f922b355fc6696ee7dac6f9208296cc51e9d7345 --- /dev/null +++ b/protein_pdb_120.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -4.920 6.436 -0.316 1.00 75.94 N +ATOM 2 CA GLY A 1 -3.593 6.023 -0.734 1.00 79.70 C +ATOM 3 C GLY A 1 -3.629 4.707 -1.471 1.00 81.60 C +ATOM 4 O GLY A 1 -4.691 4.099 -1.615 1.00 77.68 O +ATOM 5 N PRO A 2 -2.467 4.229 -1.933 1.00 77.91 N +ATOM 6 CA PRO A 2 -2.404 2.967 -2.657 1.00 82.07 C +ATOM 7 C PRO A 2 -2.583 1.780 -1.719 1.00 82.81 C +ATOM 8 O PRO A 2 -2.458 1.907 -0.507 1.00 80.79 O +ATOM 9 CB PRO A 2 -1.000 2.981 -3.260 1.00 78.85 C +ATOM 10 CG PRO A 2 -0.208 3.783 -2.294 1.00 74.90 C +ATOM 11 CD PRO A 2 -1.149 4.835 -1.771 1.00 74.01 C +HETATM 12 N HYP A 3 -2.873 0.616 -2.270 1.00 79.47 N +HETATM 13 CA HYP A 3 -2.949 -0.578 -1.508 1.00 84.65 C +HETATM 14 C HYP A 3 -1.621 -0.864 -0.776 1.00 84.17 C +HETATM 15 O HYP A 3 -0.533 -0.488 -1.258 1.00 82.67 O +HETATM 16 CB HYP A 3 -3.234 -1.614 -2.600 1.00 79.86 C +HETATM 17 CG HYP A 3 -4.035 -0.847 -3.599 1.00 76.70 C +HETATM 18 CD HYP A 3 -3.286 0.457 -3.644 1.00 79.14 C +HETATM 19 OD1 HYP A 3 -5.343 -0.610 -3.163 1.00 79.95 O +ATOM 20 N GLY A 4 -1.760 -1.365 0.397 1.00 88.04 N +ATOM 21 CA GLY A 4 -0.596 -1.695 1.179 1.00 86.95 C +ATOM 22 C GLY A 4 0.201 -2.817 0.541 1.00 85.62 C +ATOM 23 O GLY A 4 -0.206 -3.396 -0.466 1.00 83.55 O +ATOM 24 N PRO A 5 1.336 -3.113 1.133 1.00 86.31 N +ATOM 25 CA PRO A 5 2.161 -4.191 0.601 1.00 85.17 C +ATOM 26 C PRO A 5 1.494 -5.535 0.816 1.00 85.20 C +ATOM 27 O PRO A 5 0.636 -5.691 1.682 1.00 82.93 O +ATOM 28 CB PRO A 5 3.452 -4.070 1.397 1.00 82.37 C +ATOM 29 CG PRO A 5 3.022 -3.477 2.688 1.00 82.09 C +ATOM 30 CD PRO A 5 1.898 -2.535 2.347 1.00 83.42 C +HETATM 31 N HYP A 6 1.951 -6.529 0.045 1.00 84.57 N +HETATM 32 CA HYP A 6 1.447 -7.843 0.254 1.00 88.65 C +HETATM 33 C HYP A 6 1.797 -8.371 1.630 1.00 87.49 C +HETATM 34 O HYP A 6 2.858 -8.051 2.187 1.00 84.94 O +HETATM 35 CB HYP A 6 2.157 -8.645 -0.843 1.00 84.76 C +HETATM 36 CG HYP A 6 2.342 -7.633 -1.937 1.00 82.24 C +HETATM 37 CD HYP A 6 2.692 -6.391 -1.190 1.00 84.50 C +HETATM 38 OD1 HYP A 6 1.161 -7.425 -2.665 1.00 80.21 O +ATOM 39 N GLY A 7 0.835 -9.024 2.247 1.00 85.31 N +ATOM 40 CA GLY A 7 1.064 -9.615 3.542 1.00 83.06 C +ATOM 41 C GLY A 7 1.931 -10.849 3.428 1.00 83.60 C +ATOM 42 O GLY A 7 2.390 -11.223 2.348 1.00 82.56 O +ATOM 43 N PRO A 8 2.139 -11.508 4.546 1.00 85.60 N +ATOM 44 CA PRO A 8 2.861 -12.774 4.506 1.00 85.36 C +ATOM 45 C PRO A 8 2.056 -13.803 3.726 1.00 86.11 C +ATOM 46 O PRO A 8 0.854 -13.650 3.511 1.00 84.17 O +ATOM 47 CB PRO A 8 3.019 -13.161 5.973 1.00 82.41 C +ATOM 48 CG PRO A 8 2.058 -12.324 6.712 1.00 81.96 C +ATOM 49 CD PRO A 8 1.687 -11.142 5.873 1.00 83.36 C +HETATM 50 N HYP A 9 2.734 -14.870 3.287 1.00 81.38 N +HETATM 51 CA HYP A 9 2.065 -15.902 2.595 1.00 88.49 C +HETATM 52 C HYP A 9 0.832 -16.343 3.220 1.00 85.19 C +HETATM 53 O HYP A 9 0.828 -16.564 4.457 1.00 85.05 O +HETATM 54 CB HYP A 9 3.127 -16.962 2.389 1.00 86.64 C +HETATM 55 CG HYP A 9 4.406 -16.146 2.319 1.00 80.89 C +HETATM 56 CD HYP A 9 4.149 -15.052 3.312 1.00 82.28 C +HETATM 57 OD1 HYP A 9 4.607 -15.558 1.062 1.00 79.09 O +ATOM 58 N GLY A 10 -0.330 -16.292 2.518 1.00 83.60 N +ATOM 59 CA GLY A 10 -1.630 -16.703 2.993 1.00 80.85 C +ATOM 60 C GLY A 10 -2.399 -15.649 3.768 1.00 80.24 C +ATOM 61 O GLY A 10 -3.519 -15.907 4.183 1.00 77.99 O +ATOM 62 N ILE A 11 -1.832 -14.461 3.977 1.00 78.24 N +ATOM 63 CA ILE A 11 -2.480 -13.386 4.725 1.00 78.78 C +ATOM 64 C ILE A 11 -2.405 -12.120 3.880 1.00 75.54 C +ATOM 65 O ILE A 11 -1.308 -11.650 3.579 1.00 73.09 O +ATOM 66 CB ILE A 11 -1.810 -13.150 6.087 1.00 77.05 C +ATOM 67 CG1 ILE A 11 -1.814 -14.435 6.926 1.00 74.32 C +ATOM 68 CG2 ILE A 11 -2.506 -12.013 6.827 1.00 72.19 C +ATOM 69 CD1 ILE A 11 -0.999 -14.329 8.200 1.00 69.45 C +ATOM 70 N PRO A 12 -3.549 -11.529 3.488 1.00 70.94 N +ATOM 71 CA PRO A 12 -3.503 -10.289 2.713 1.00 70.00 C +ATOM 72 C PRO A 12 -2.847 -9.167 3.501 1.00 70.24 C +ATOM 73 O PRO A 12 -2.956 -9.107 4.730 1.00 66.69 O +ATOM 74 CB PRO A 12 -4.975 -9.957 2.455 1.00 66.46 C +ATOM 75 CG PRO A 12 -5.697 -11.242 2.633 1.00 63.61 C +ATOM 76 CD PRO A 12 -4.932 -11.984 3.687 1.00 62.07 C +ATOM 77 N GLY A 13 -2.185 -8.281 2.778 1.00 79.66 N +ATOM 78 CA GLY A 13 -1.631 -7.105 3.413 1.00 76.87 C +ATOM 79 C GLY A 13 -2.724 -6.123 3.782 1.00 77.58 C +ATOM 80 O GLY A 13 -3.855 -6.221 3.297 1.00 76.83 O +ATOM 81 N PRO A 14 -2.414 -5.163 4.645 1.00 70.03 N +ATOM 82 CA PRO A 14 -3.397 -4.149 5.005 1.00 72.27 C +ATOM 83 C PRO A 14 -3.521 -3.107 3.904 1.00 71.62 C +ATOM 84 O PRO A 14 -2.659 -2.989 3.040 1.00 70.13 O +ATOM 85 CB PRO A 14 -2.797 -3.529 6.270 1.00 70.18 C +ATOM 86 CG PRO A 14 -1.326 -3.651 6.053 1.00 68.15 C +ATOM 87 CD PRO A 14 -1.136 -4.960 5.329 1.00 66.61 C +HETATM 88 N HYP A 15 -4.574 -2.358 3.941 1.00 75.68 N +HETATM 89 CA HYP A 15 -4.725 -1.215 3.069 1.00 72.55 C +HETATM 90 C HYP A 15 -3.605 -0.231 3.295 1.00 79.25 C +HETATM 91 O HYP A 15 -3.053 -0.154 4.414 1.00 77.62 O +HETATM 92 CB HYP A 15 -6.095 -0.699 3.508 1.00 72.06 C +HETATM 93 CG HYP A 15 -6.818 -1.955 3.918 1.00 73.09 C +HETATM 94 CD HYP A 15 -5.761 -2.707 4.661 1.00 77.45 C +HETATM 95 OD1 HYP A 15 -7.243 -2.708 2.803 1.00 77.22 O +ATOM 96 N GLY A 16 -3.232 0.455 2.264 1.00 78.64 N +ATOM 97 CA GLY A 16 -2.198 1.453 2.385 1.00 76.39 C +ATOM 98 C GLY A 16 -2.655 2.635 3.211 1.00 76.63 C +ATOM 99 O GLY A 16 -3.824 2.726 3.603 1.00 76.53 O +ATOM 100 N PRO A 17 -1.737 3.569 3.473 1.00 65.32 N +ATOM 101 CA PRO A 17 -2.106 4.756 4.235 1.00 68.06 C +ATOM 102 C PRO A 17 -3.028 5.655 3.424 1.00 67.12 C +ATOM 103 O PRO A 17 -3.111 5.542 2.206 1.00 68.40 O +ATOM 104 CB PRO A 17 -0.759 5.431 4.491 1.00 67.84 C +ATOM 105 CG PRO A 17 0.111 4.966 3.385 1.00 65.71 C +ATOM 106 CD PRO A 17 -0.336 3.571 3.060 1.00 63.67 C +HETATM 107 N HYP A 18 -3.700 6.552 4.084 1.00 72.25 N +HETATM 108 CA HYP A 18 -4.519 7.524 3.416 1.00 74.17 C +HETATM 109 C HYP A 18 -3.738 8.339 2.420 1.00 71.55 C +HETATM 110 O HYP A 18 -2.513 8.556 2.606 1.00 75.96 O +HETATM 111 CB HYP A 18 -5.048 8.303 4.579 1.00 70.28 C +HETATM 112 CG HYP A 18 -5.127 7.301 5.700 1.00 70.70 C +HETATM 113 CD HYP A 18 -3.873 6.506 5.518 1.00 74.57 C +HETATM 114 OD1 HYP A 18 -6.235 6.438 5.577 1.00 74.73 O +ATOM 115 N GLY A 19 -4.376 8.736 1.360 1.00 72.62 N +ATOM 116 CA GLY A 19 -3.758 9.581 0.377 1.00 70.16 C +ATOM 117 C GLY A 19 -3.432 10.948 0.938 1.00 70.22 C +ATOM 118 O GLY A 19 -3.762 11.262 2.086 1.00 70.96 O +ATOM 119 N PRO A 20 -2.783 11.774 0.127 1.00 61.71 N +ATOM 120 CA PRO A 20 -2.431 13.109 0.593 1.00 64.98 C +ATOM 121 C PRO A 20 -3.661 13.968 0.796 1.00 64.41 C +ATOM 122 O PRO A 20 -4.720 13.703 0.235 1.00 65.24 O +ATOM 123 CB PRO A 20 -1.545 13.648 -0.532 1.00 63.33 C +ATOM 124 CG PRO A 20 -1.975 12.891 -1.737 1.00 59.75 C +ATOM 125 CD PRO A 20 -2.380 11.527 -1.245 1.00 58.21 C +HETATM 126 N HYP A 21 -3.535 15.020 1.560 1.00 71.46 N +HETATM 127 CA HYP A 21 -4.600 15.936 1.777 1.00 70.89 C +HETATM 128 C HYP A 21 -5.045 16.636 0.517 1.00 70.39 C +HETATM 129 O HYP A 21 -4.190 16.859 -0.394 1.00 75.08 O +HETATM 130 CB HYP A 21 -3.923 16.969 2.719 1.00 70.79 C +HETATM 131 CG HYP A 21 -2.843 16.199 3.440 1.00 70.67 C +HETATM 132 CD HYP A 21 -2.333 15.285 2.369 1.00 74.08 C +HETATM 133 OD1 HYP A 21 -3.397 15.417 4.499 1.00 75.32 O +ATOM 134 N GLY A 22 -6.301 16.858 0.366 1.00 71.14 N +ATOM 135 CA GLY A 22 -6.809 17.606 -0.756 1.00 68.98 C +ATOM 136 C GLY A 22 -6.355 19.052 -0.701 1.00 67.80 C +ATOM 137 O GLY A 22 -5.796 19.502 0.303 1.00 67.27 O +ATOM 138 N PRO A 23 -6.608 19.810 -1.758 1.00 68.43 N +ATOM 139 CA PRO A 23 -6.220 21.215 -1.767 1.00 72.28 C +ATOM 140 C PRO A 23 -7.105 22.022 -0.834 1.00 72.04 C +ATOM 141 O PRO A 23 -8.239 21.639 -0.546 1.00 69.05 O +ATOM 142 CB PRO A 23 -6.408 21.631 -3.212 1.00 67.19 C +ATOM 143 CG PRO A 23 -7.454 20.710 -3.720 1.00 62.03 C +ATOM 144 CD PRO A 23 -7.261 19.410 -2.988 1.00 63.54 C +HETATM 145 N HYP A 24 -6.611 23.201 -0.400 1.00 74.29 N +HETATM 146 CA HYP A 24 -7.486 24.019 0.419 1.00 73.91 C +HETATM 147 C HYP A 24 -8.534 24.621 -0.540 1.00 71.26 C +HETATM 148 O HYP A 24 -8.428 25.694 -1.098 1.00 75.77 O +HETATM 149 CB HYP A 24 -6.518 25.220 0.802 1.00 73.06 C +HETATM 150 CG HYP A 24 -5.115 24.694 0.658 1.00 70.36 C +HETATM 151 CD HYP A 24 -5.217 23.654 -0.498 1.00 73.81 C +HETATM 152 OD1 HYP A 24 -4.738 24.021 1.849 1.00 75.38 O +HETATM 153 OXT HYP A 24 -9.425 23.813 -0.748 1.00 68.64 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_121.txt b/protein_pdb_121.txt new file mode 100644 index 0000000000000000000000000000000000000000..6f5c3ba1ced13a6a0ca7b63b35eb764c60b7dd0c --- /dev/null +++ b/protein_pdb_121.txt @@ -0,0 +1,136 @@ +ATOM 1 N GLY A 1 30.851 1.164 1.543 1.00 95.93 N +ATOM 2 CA GLY A 1 29.960 0.996 2.686 1.00 96.50 C +ATOM 3 C GLY A 1 28.785 0.109 2.344 1.00 97.02 C +ATOM 4 O GLY A 1 28.604 -0.266 1.187 1.00 96.05 O +ATOM 5 N PRO A 2 27.980 -0.229 3.315 1.00 97.62 N +ATOM 6 CA PRO A 2 26.812 -1.068 3.067 1.00 97.87 C +ATOM 7 C PRO A 2 25.758 -0.321 2.258 1.00 98.04 C +ATOM 8 O PRO A 2 25.753 0.905 2.202 1.00 97.41 O +ATOM 9 CB PRO A 2 26.302 -1.409 4.464 1.00 97.08 C +ATOM 10 CG PRO A 2 26.761 -0.266 5.298 1.00 95.47 C +ATOM 11 CD PRO A 2 28.078 0.169 4.712 1.00 96.89 C +HETATM 12 N HYP A 3 24.933 -1.030 1.622 1.00 98.17 N +HETATM 13 CA HYP A 3 23.782 -0.477 0.923 1.00 97.26 C +HETATM 14 C HYP A 3 22.961 0.402 1.830 1.00 98.39 C +HETATM 15 O HYP A 3 22.888 0.116 3.045 1.00 97.82 O +HETATM 16 CB HYP A 3 23.030 -1.695 0.464 1.00 97.14 C +HETATM 17 CG HYP A 3 24.055 -2.796 0.419 1.00 97.11 C +HETATM 18 CD HYP A 3 24.975 -2.464 1.584 1.00 97.64 C +HETATM 19 OD1 HYP A 3 24.764 -2.800 -0.776 1.00 96.92 O +ATOM 20 N GLY A 4 22.346 1.409 1.236 1.00 98.23 N +ATOM 21 CA GLY A 4 21.473 2.261 2.008 1.00 98.05 C +ATOM 22 C GLY A 4 20.225 1.518 2.452 1.00 98.13 C +ATOM 23 O GLY A 4 19.961 0.396 1.999 1.00 97.77 O +ATOM 24 N PRO A 5 19.445 2.139 3.325 1.00 98.14 N +ATOM 25 CA PRO A 5 18.216 1.495 3.792 1.00 98.07 C +ATOM 26 C PRO A 5 17.185 1.427 2.676 1.00 98.03 C +ATOM 27 O PRO A 5 17.210 2.208 1.732 1.00 97.57 O +ATOM 28 CB PRO A 5 17.748 2.395 4.932 1.00 97.60 C +ATOM 29 CG PRO A 5 18.303 3.729 4.580 1.00 96.64 C +ATOM 30 CD PRO A 5 19.625 3.461 3.895 1.00 97.77 C +HETATM 31 N HYP A 6 16.300 0.516 2.782 1.00 98.28 N +HETATM 32 CA HYP A 6 15.168 0.416 1.884 1.00 97.95 C +HETATM 33 C HYP A 6 14.325 1.657 1.878 1.00 98.29 C +HETATM 34 O HYP A 6 14.222 2.289 2.926 1.00 97.83 O +HETATM 35 CB HYP A 6 14.385 -0.809 2.376 1.00 97.14 C +HETATM 36 CG HYP A 6 15.442 -1.620 3.074 1.00 96.87 C +HETATM 37 CD HYP A 6 16.321 -0.574 3.699 1.00 97.44 C +HETATM 38 OD1 HYP A 6 16.157 -2.389 2.166 1.00 96.30 O +ATOM 39 N GLY A 7 13.736 1.952 0.763 1.00 98.12 N +ATOM 40 CA GLY A 7 12.839 3.084 0.690 1.00 97.97 C +ATOM 41 C GLY A 7 11.608 2.864 1.551 1.00 98.00 C +ATOM 42 O GLY A 7 11.360 1.764 2.051 1.00 97.77 O +ATOM 43 N PRO A 8 10.807 3.915 1.712 1.00 98.17 N +ATOM 44 CA PRO A 8 9.596 3.765 2.516 1.00 97.91 C +ATOM 45 C PRO A 8 8.612 2.808 1.864 1.00 97.83 C +ATOM 46 O PRO A 8 8.574 2.648 0.644 1.00 96.95 O +ATOM 47 CB PRO A 8 9.027 5.186 2.587 1.00 97.51 C +ATOM 48 CG PRO A 8 9.594 5.863 1.389 1.00 96.70 C +ATOM 49 CD PRO A 8 10.952 5.248 1.165 1.00 97.78 C +ATOM 50 N LYS A 9 7.830 2.154 2.705 1.00 97.76 N +ATOM 51 CA LYS A 9 6.820 1.226 2.222 1.00 97.53 C +ATOM 52 C LYS A 9 5.765 1.979 1.423 1.00 97.79 C +ATOM 53 O LYS A 9 5.399 3.102 1.761 1.00 97.16 O +ATOM 54 CB LYS A 9 6.181 0.486 3.402 1.00 96.01 C +ATOM 55 CG LYS A 9 5.255 -0.651 3.015 1.00 89.63 C +ATOM 56 CD LYS A 9 4.674 -1.328 4.247 1.00 87.47 C +ATOM 57 CE LYS A 9 3.909 -2.597 3.900 1.00 81.10 C +ATOM 58 NZ LYS A 9 2.779 -2.334 2.983 1.00 76.46 N +ATOM 59 N GLY A 10 5.301 1.343 0.353 1.00 97.80 N +ATOM 60 CA GLY A 10 4.237 1.942 -0.428 1.00 97.66 C +ATOM 61 C GLY A 10 2.952 2.032 0.360 1.00 97.71 C +ATOM 62 O GLY A 10 2.769 1.357 1.371 1.00 97.30 O +ATOM 63 N SER A 11 2.077 2.890 -0.103 1.00 98.02 N +ATOM 64 CA SER A 11 0.793 3.058 0.558 1.00 97.85 C +ATOM 65 C SER A 11 -0.064 1.818 0.367 1.00 98.01 C +ATOM 66 O SER A 11 0.101 1.066 -0.586 1.00 97.37 O +ATOM 67 CB SER A 11 0.080 4.293 0.021 1.00 96.73 C +ATOM 68 OG SER A 11 -0.166 4.151 -1.353 1.00 90.67 O +HETATM 69 N HYP A 12 -1.009 1.576 1.268 1.00 97.90 N +HETATM 70 CA HYP A 12 -1.944 0.504 1.162 1.00 97.70 C +HETATM 71 C HYP A 12 -2.802 0.652 -0.053 1.00 98.33 C +HETATM 72 O HYP A 12 -3.043 1.804 -0.490 1.00 97.47 O +HETATM 73 CB HYP A 12 -2.721 0.545 2.442 1.00 97.74 C +HETATM 74 CG HYP A 12 -1.820 1.241 3.404 1.00 97.25 C +HETATM 75 CD HYP A 12 -1.121 2.196 2.527 1.00 97.35 C +HETATM 76 OD1 HYP A 12 -0.894 0.362 3.987 1.00 96.65 O +ATOM 77 N GLY A 13 -3.276 -0.443 -0.568 1.00 98.34 N +ATOM 78 CA GLY A 13 -4.205 -0.377 -1.666 1.00 98.29 C +ATOM 79 C GLY A 13 -5.523 0.255 -1.229 1.00 98.43 C +ATOM 80 O GLY A 13 -5.785 0.422 -0.038 1.00 98.27 O +ATOM 81 N PRO A 14 -6.356 0.608 -2.201 1.00 98.21 N +ATOM 82 CA PRO A 14 -7.643 1.205 -1.866 1.00 98.15 C +ATOM 83 C PRO A 14 -8.566 0.199 -1.200 1.00 98.10 C +ATOM 84 O PRO A 14 -8.406 -1.010 -1.352 1.00 97.74 O +ATOM 85 CB PRO A 14 -8.192 1.650 -3.222 1.00 97.62 C +ATOM 86 CG PRO A 14 -7.547 0.720 -4.187 1.00 96.92 C +ATOM 87 CD PRO A 14 -6.180 0.439 -3.632 1.00 97.95 C +HETATM 88 N HYP A 15 -9.533 0.675 -0.468 1.00 98.15 N +HETATM 89 CA HYP A 15 -10.546 -0.171 0.109 1.00 97.38 C +HETATM 90 C HYP A 15 -11.291 -0.968 -0.917 1.00 98.16 C +HETATM 91 O HYP A 15 -11.457 -0.481 -2.053 1.00 98.01 O +HETATM 92 CB HYP A 15 -11.452 0.808 0.840 1.00 97.29 C +HETATM 93 CG HYP A 15 -10.582 1.990 1.127 1.00 96.85 C +HETATM 94 CD HYP A 15 -9.670 2.043 -0.079 1.00 97.43 C +HETATM 95 OD1 HYP A 15 -9.781 1.781 2.281 1.00 96.62 O +ATOM 96 N GLY A 16 -11.716 -2.146 -0.567 1.00 98.01 N +ATOM 97 CA GLY A 16 -12.500 -2.936 -1.475 1.00 97.89 C +ATOM 98 C GLY A 16 -13.838 -2.282 -1.758 1.00 97.90 C +ATOM 99 O GLY A 16 -14.248 -1.344 -1.071 1.00 97.68 O +ATOM 100 N PRO A 17 -14.534 -2.765 -2.778 1.00 97.81 N +ATOM 101 CA PRO A 17 -15.835 -2.197 -3.109 1.00 97.67 C +ATOM 102 C PRO A 17 -16.864 -2.533 -2.049 1.00 97.62 C +ATOM 103 O PRO A 17 -16.720 -3.497 -1.306 1.00 96.83 O +ATOM 104 CB PRO A 17 -16.172 -2.843 -4.454 1.00 96.61 C +ATOM 105 CG PRO A 17 -15.441 -4.134 -4.412 1.00 95.12 C +ATOM 106 CD PRO A 17 -14.166 -3.869 -3.655 1.00 97.06 C +HETATM 107 N HYP A 18 -17.924 -1.760 -1.976 1.00 97.75 N +HETATM 108 CA HYP A 18 -19.008 -2.042 -1.096 1.00 96.77 C +HETATM 109 C HYP A 18 -19.649 -3.370 -1.366 1.00 97.85 C +HETATM 110 O HYP A 18 -19.666 -3.802 -2.538 1.00 97.59 O +HETATM 111 CB HYP A 18 -20.002 -0.903 -1.412 1.00 96.19 C +HETATM 112 CG HYP A 18 -19.145 0.232 -1.946 1.00 95.57 C +HETATM 113 CD HYP A 18 -18.069 -0.514 -2.695 1.00 96.60 C +HETATM 114 OD1 HYP A 18 -18.544 0.957 -0.879 1.00 95.13 O +ATOM 115 N GLY A 19 -20.110 -4.064 -0.364 1.00 96.70 N +ATOM 116 CA GLY A 19 -20.760 -5.333 -0.550 1.00 96.86 C +ATOM 117 C GLY A 19 -22.057 -5.180 -1.326 1.00 97.23 C +ATOM 118 O GLY A 19 -22.539 -4.068 -1.544 1.00 96.62 O +ATOM 119 N PRO A 20 -22.651 -6.301 -1.735 1.00 97.03 N +ATOM 120 CA PRO A 20 -23.899 -6.239 -2.487 1.00 96.95 C +ATOM 121 C PRO A 20 -25.045 -5.803 -1.601 1.00 97.03 C +ATOM 122 O PRO A 20 -25.011 -5.966 -0.383 1.00 95.32 O +ATOM 123 CB PRO A 20 -24.087 -7.672 -2.981 1.00 95.42 C +ATOM 124 CG PRO A 20 -23.379 -8.494 -1.966 1.00 92.99 C +ATOM 125 CD PRO A 20 -22.209 -7.671 -1.520 1.00 95.95 C +HETATM 126 N HYP A 21 -26.082 -5.249 -2.187 1.00 96.98 N +HETATM 127 CA HYP A 21 -27.232 -4.970 -1.383 1.00 94.91 C +HETATM 128 C HYP A 21 -27.800 -6.285 -0.900 1.00 95.95 C +HETATM 129 O HYP A 21 -27.960 -6.355 0.279 1.00 94.15 O +HETATM 130 CB HYP A 21 -28.265 -4.336 -2.385 1.00 94.95 C +HETATM 131 CG HYP A 21 -27.466 -3.811 -3.519 1.00 94.57 C +HETATM 132 CD HYP A 21 -26.243 -4.715 -3.551 1.00 95.60 C +HETATM 133 OD1 HYP A 21 -27.022 -2.511 -3.202 1.00 92.13 O +HETATM 134 OXT HYP A 21 -27.961 -7.212 -1.734 1.00 91.53 O +TER 135 HYP A 21 +END diff --git a/protein_pdb_122.txt b/protein_pdb_122.txt new file mode 100644 index 0000000000000000000000000000000000000000..545f922c6fd51e84d77e611f9f699b89d65b681d --- /dev/null +++ b/protein_pdb_122.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 5.782 -10.000 7.999 1.00 79.94 N +ATOM 2 CA GLY A 1 4.813 -9.108 8.613 1.00 82.74 C +ATOM 3 C GLY A 1 3.657 -8.834 7.687 1.00 82.22 C +ATOM 4 O GLY A 1 3.633 -9.328 6.562 1.00 82.11 O +ATOM 5 N PRO A 2 2.694 -8.049 8.134 1.00 81.23 N +ATOM 6 CA PRO A 2 1.514 -7.770 7.334 1.00 84.27 C +ATOM 7 C PRO A 2 1.812 -6.837 6.175 1.00 84.11 C +ATOM 8 O PRO A 2 2.813 -6.130 6.168 1.00 85.37 O +ATOM 9 CB PRO A 2 0.553 -7.129 8.332 1.00 81.50 C +ATOM 10 CG PRO A 2 1.447 -6.480 9.325 1.00 75.44 C +ATOM 11 CD PRO A 2 2.647 -7.377 9.440 1.00 77.06 C +HETATM 12 N HYP A 3 0.956 -6.860 5.253 1.00 83.79 N +HETATM 13 CA HYP A 3 1.017 -5.933 4.116 1.00 84.17 C +HETATM 14 C HYP A 3 0.996 -4.491 4.545 1.00 85.57 C +HETATM 15 O HYP A 3 0.422 -4.146 5.607 1.00 87.91 O +HETATM 16 CB HYP A 3 -0.298 -6.315 3.371 1.00 84.79 C +HETATM 17 CG HYP A 3 -0.521 -7.775 3.726 1.00 79.18 C +HETATM 18 CD HYP A 3 -0.117 -7.835 5.211 1.00 82.75 C +HETATM 19 OD1 HYP A 3 0.333 -8.597 2.984 1.00 85.62 O +ATOM 20 N GLY A 4 1.660 -3.672 3.820 1.00 88.90 N +ATOM 21 CA GLY A 4 1.629 -2.262 4.078 1.00 86.78 C +ATOM 22 C GLY A 4 0.266 -1.668 3.784 1.00 86.11 C +ATOM 23 O GLY A 4 -0.640 -2.346 3.307 1.00 87.61 O +ATOM 24 N PRO A 5 0.119 -0.387 4.052 1.00 88.60 N +ATOM 25 CA PRO A 5 -1.151 0.278 3.812 1.00 87.49 C +ATOM 26 C PRO A 5 -1.398 0.488 2.329 1.00 86.94 C +ATOM 27 O PRO A 5 -0.478 0.441 1.518 1.00 85.80 O +ATOM 28 CB PRO A 5 -0.986 1.609 4.542 1.00 85.19 C +ATOM 29 CG PRO A 5 0.469 1.869 4.459 1.00 82.81 C +ATOM 30 CD PRO A 5 1.135 0.522 4.574 1.00 85.83 C +HETATM 31 N HYP A 6 -2.647 0.734 1.986 1.00 84.88 N +HETATM 32 CA HYP A 6 -2.984 1.084 0.625 1.00 88.88 C +HETATM 33 C HYP A 6 -2.238 2.292 0.146 1.00 85.79 C +HETATM 34 O HYP A 6 -1.931 3.203 0.933 1.00 86.93 O +HETATM 35 CB HYP A 6 -4.510 1.380 0.759 1.00 83.92 C +HETATM 36 CG HYP A 6 -4.948 0.523 1.924 1.00 82.53 C +HETATM 37 CD HYP A 6 -3.794 0.627 2.872 1.00 85.01 C +HETATM 38 OD1 HYP A 6 -5.114 -0.810 1.513 1.00 86.83 O +ATOM 39 N GLY A 7 -1.851 2.267 -1.092 1.00 88.40 N +ATOM 40 CA GLY A 7 -1.191 3.390 -1.688 1.00 85.56 C +ATOM 41 C GLY A 7 -2.115 4.584 -1.790 1.00 85.82 C +ATOM 42 O GLY A 7 -3.307 4.503 -1.498 1.00 86.09 O +ATOM 43 N PRO A 8 -1.566 5.708 -2.214 1.00 87.40 N +ATOM 44 CA PRO A 8 -2.377 6.903 -2.337 1.00 87.36 C +ATOM 45 C PRO A 8 -3.329 6.806 -3.518 1.00 87.53 C +ATOM 46 O PRO A 8 -3.117 6.034 -4.445 1.00 86.05 O +ATOM 47 CB PRO A 8 -1.351 8.008 -2.543 1.00 85.20 C +ATOM 48 CG PRO A 8 -0.217 7.310 -3.213 1.00 84.01 C +ATOM 49 CD PRO A 8 -0.182 5.929 -2.607 1.00 85.90 C +HETATM 50 N HYP A 9 -4.360 7.633 -3.464 1.00 81.96 N +HETATM 51 CA HYP A 9 -5.264 7.694 -4.552 1.00 85.55 C +HETATM 52 C HYP A 9 -4.603 8.170 -5.811 1.00 82.88 C +HETATM 53 O HYP A 9 -3.661 8.961 -5.765 1.00 84.43 O +HETATM 54 CB HYP A 9 -6.219 8.831 -4.077 1.00 81.39 C +HETATM 55 CG HYP A 9 -6.187 8.763 -2.601 1.00 78.87 C +HETATM 56 CD HYP A 9 -4.767 8.446 -2.310 1.00 82.91 C +HETATM 57 OD1 HYP A 9 -7.009 7.711 -2.146 1.00 81.54 O +ATOM 58 N GLY A 10 -5.008 7.610 -6.914 1.00 86.20 N +ATOM 59 CA GLY A 10 -4.574 8.116 -8.186 1.00 84.08 C +ATOM 60 C GLY A 10 -5.215 9.459 -8.438 1.00 84.86 C +ATOM 61 O GLY A 10 -5.787 10.084 -7.541 1.00 83.61 O +ATOM 62 N HIS A 11 -5.132 9.904 -9.654 1.00 86.16 N +ATOM 63 CA HIS A 11 -5.763 11.162 -10.033 1.00 89.25 C +ATOM 64 C HIS A 11 -7.204 10.881 -10.406 1.00 89.01 C +ATOM 65 O HIS A 11 -7.492 10.382 -11.491 1.00 87.33 O +ATOM 66 CB HIS A 11 -4.984 11.797 -11.179 1.00 87.27 C +ATOM 67 CG HIS A 11 -3.613 12.227 -10.761 1.00 82.86 C +ATOM 68 ND1 HIS A 11 -2.467 11.641 -11.246 1.00 79.74 N +ATOM 69 CD2 HIS A 11 -3.216 13.167 -9.887 1.00 77.95 C +ATOM 70 CE1 HIS A 11 -1.423 12.225 -10.687 1.00 79.78 C +ATOM 71 NE2 HIS A 11 -1.852 13.155 -9.852 1.00 80.68 N +HETATM 72 N HYP A 12 -8.120 11.156 -9.518 1.00 82.90 N +HETATM 73 CA HYP A 12 -9.341 10.504 -9.477 1.00 80.81 C +HETATM 74 C HYP A 12 -9.454 9.100 -9.267 1.00 84.97 C +HETATM 75 O HYP A 12 -10.486 8.435 -9.392 1.00 83.38 O +HETATM 76 CB HYP A 12 -10.434 11.468 -9.221 1.00 77.73 C +HETATM 77 CG HYP A 12 -9.702 12.866 -9.277 1.00 78.03 C +HETATM 78 CD HYP A 12 -8.263 12.519 -9.158 1.00 79.45 C +HETATM 79 OD1 HYP A 12 -9.914 13.541 -10.463 1.00 81.44 O +ATOM 80 N GLY A 13 -8.338 8.448 -8.925 1.00 86.80 N +ATOM 81 CA GLY A 13 -8.267 7.012 -8.769 1.00 84.89 C +ATOM 82 C GLY A 13 -8.410 6.565 -7.331 1.00 85.24 C +ATOM 83 O GLY A 13 -8.302 7.359 -6.399 1.00 85.45 O +ATOM 84 N PRO A 14 -8.644 5.289 -7.146 1.00 85.72 N +ATOM 85 CA PRO A 14 -8.788 4.724 -5.818 1.00 85.48 C +ATOM 86 C PRO A 14 -7.429 4.540 -5.159 1.00 85.42 C +ATOM 87 O PRO A 14 -6.387 4.709 -5.786 1.00 84.41 O +ATOM 88 CB PRO A 14 -9.448 3.379 -6.088 1.00 83.30 C +ATOM 89 CG PRO A 14 -8.904 2.984 -7.416 1.00 81.16 C +ATOM 90 CD PRO A 14 -8.780 4.274 -8.189 1.00 81.42 C +HETATM 91 N HYP A 15 -7.504 4.167 -3.879 1.00 82.55 N +HETATM 92 CA HYP A 15 -6.266 3.855 -3.216 1.00 85.35 C +HETATM 93 C HYP A 15 -5.503 2.769 -3.902 1.00 85.58 C +HETATM 94 O HYP A 15 -6.105 1.889 -4.533 1.00 86.90 O +HETATM 95 CB HYP A 15 -6.792 3.324 -1.833 1.00 82.27 C +HETATM 96 CG HYP A 15 -8.091 4.066 -1.651 1.00 82.01 C +HETATM 97 CD HYP A 15 -8.685 4.080 -3.058 1.00 84.04 C +HETATM 98 OD1 HYP A 15 -7.844 5.362 -1.212 1.00 84.00 O +ATOM 99 N GLY A 16 -4.219 2.861 -3.848 1.00 87.82 N +ATOM 100 CA GLY A 16 -3.394 1.841 -4.430 1.00 86.67 C +ATOM 101 C GLY A 16 -3.487 0.539 -3.653 1.00 87.54 C +ATOM 102 O GLY A 16 -4.147 0.459 -2.617 1.00 87.78 O +ATOM 103 N PRO A 17 -2.818 -0.479 -4.161 1.00 88.43 N +ATOM 104 CA PRO A 17 -2.832 -1.771 -3.485 1.00 88.79 C +ATOM 105 C PRO A 17 -2.033 -1.718 -2.193 1.00 89.13 C +ATOM 106 O PRO A 17 -1.218 -0.822 -1.982 1.00 87.40 O +ATOM 107 CB PRO A 17 -2.192 -2.709 -4.502 1.00 86.54 C +ATOM 108 CG PRO A 17 -1.284 -1.823 -5.277 1.00 86.11 C +ATOM 109 CD PRO A 17 -1.984 -0.500 -5.357 1.00 88.07 C +HETATM 110 N HYP A 18 -2.242 -2.675 -1.323 1.00 86.39 N +HETATM 111 CA HYP A 18 -1.468 -2.788 -0.148 1.00 92.38 C +HETATM 112 C HYP A 18 -0.010 -2.854 -0.438 1.00 91.25 C +HETATM 113 O HYP A 18 0.403 -3.396 -1.482 1.00 90.23 O +HETATM 114 CB HYP A 18 -2.013 -4.058 0.486 1.00 88.40 C +HETATM 115 CG HYP A 18 -3.438 -4.121 0.015 1.00 85.96 C +HETATM 116 CD HYP A 18 -3.324 -3.650 -1.414 1.00 88.20 C +HETATM 117 OD1 HYP A 18 -4.237 -3.231 0.755 1.00 88.09 O +ATOM 118 N GLY A 19 0.771 -2.273 0.406 1.00 89.83 N +ATOM 119 CA GLY A 19 2.199 -2.341 0.271 1.00 89.38 C +ATOM 120 C GLY A 19 2.710 -3.752 0.494 1.00 89.80 C +ATOM 121 O GLY A 19 1.950 -4.674 0.798 1.00 89.95 O +ATOM 122 N PRO A 20 4.000 -3.919 0.343 1.00 86.62 N +ATOM 123 CA PRO A 20 4.583 -5.247 0.513 1.00 86.48 C +ATOM 124 C PRO A 20 4.573 -5.675 1.968 1.00 86.40 C +ATOM 125 O PRO A 20 4.452 -4.858 2.873 1.00 85.62 O +ATOM 126 CB PRO A 20 6.011 -5.065 -0.002 1.00 83.68 C +ATOM 127 CG PRO A 20 6.299 -3.636 0.235 1.00 81.09 C +ATOM 128 CD PRO A 20 4.999 -2.914 0.022 1.00 83.37 C +HETATM 129 N HYP A 21 4.702 -6.949 2.211 1.00 85.87 N +HETATM 130 CA HYP A 21 4.781 -7.486 3.496 1.00 88.17 C +HETATM 131 C HYP A 21 5.935 -6.928 4.308 1.00 87.35 C +HETATM 132 O HYP A 21 6.956 -6.576 3.722 1.00 88.00 O +HETATM 133 CB HYP A 21 4.965 -8.973 3.262 1.00 85.74 C +HETATM 134 CG HYP A 21 4.291 -9.200 1.953 1.00 83.50 C +HETATM 135 CD HYP A 21 4.632 -7.968 1.175 1.00 86.13 C +HETATM 136 OD1 HYP A 21 2.884 -9.261 2.121 1.00 86.42 O +ATOM 137 N GLY A 22 5.715 -6.684 5.541 1.00 86.24 N +ATOM 138 CA GLY A 22 6.758 -6.235 6.416 1.00 84.06 C +ATOM 139 C GLY A 22 7.780 -7.327 6.675 1.00 83.50 C +ATOM 140 O GLY A 22 7.737 -8.396 6.061 1.00 83.10 O +ATOM 141 N PRO A 23 8.700 -7.079 7.593 1.00 82.74 N +ATOM 142 CA PRO A 23 9.710 -8.084 7.921 1.00 84.36 C +ATOM 143 C PRO A 23 9.061 -9.347 8.454 1.00 83.20 C +ATOM 144 O PRO A 23 7.988 -9.297 9.039 1.00 79.75 O +ATOM 145 CB PRO A 23 10.540 -7.413 9.011 1.00 80.37 C +ATOM 146 CG PRO A 23 10.248 -5.976 8.882 1.00 77.85 C +ATOM 147 CD PRO A 23 8.845 -5.873 8.379 1.00 79.75 C +HETATM 148 N HYP A 24 9.670 -10.436 8.335 1.00 85.97 N +HETATM 149 CA HYP A 24 9.085 -11.637 8.814 1.00 82.64 C +HETATM 150 C HYP A 24 8.201 -11.486 9.968 1.00 85.38 C +HETATM 151 O HYP A 24 8.603 -10.756 10.878 1.00 83.12 O +HETATM 152 CB HYP A 24 10.172 -12.652 8.839 1.00 83.31 C +HETATM 153 CG HYP A 24 11.229 -12.082 7.931 1.00 83.18 C +HETATM 154 CD HYP A 24 11.046 -10.568 8.018 1.00 86.68 C +HETATM 155 OD1 HYP A 24 10.990 -12.459 6.579 1.00 84.59 O +HETATM 156 OXT HYP A 24 7.164 -12.210 10.027 1.00 79.58 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_123.txt b/protein_pdb_123.txt new file mode 100644 index 0000000000000000000000000000000000000000..2a76257166ec5309751dee61581aeaad384daecf --- /dev/null +++ b/protein_pdb_123.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 5.782 -10.000 7.999 1.00 79.94 N +ATOM 2 CA GLY A 1 4.813 -9.108 8.613 1.00 82.74 C +ATOM 3 C GLY A 1 3.657 -8.834 7.687 1.00 82.22 C +ATOM 4 O GLY A 1 3.633 -9.328 6.562 1.00 82.11 O +ATOM 5 N PRO A 2 2.694 -8.049 8.134 1.00 81.23 N +ATOM 6 CA PRO A 2 1.514 -7.770 7.334 1.00 84.29 C +ATOM 7 C PRO A 2 1.812 -6.837 6.175 1.00 84.11 C +ATOM 8 O PRO A 2 2.813 -6.130 6.168 1.00 85.37 O +ATOM 9 CB PRO A 2 0.553 -7.129 8.332 1.00 81.50 C +ATOM 10 CG PRO A 2 1.447 -6.480 9.325 1.00 75.44 C +ATOM 11 CD PRO A 2 2.647 -7.377 9.440 1.00 77.06 C +HETATM 12 N HYP A 3 0.956 -6.860 5.253 1.00 83.75 N +HETATM 13 CA HYP A 3 1.017 -5.933 4.116 1.00 84.15 C +HETATM 14 C HYP A 3 0.996 -4.491 4.545 1.00 85.59 C +HETATM 15 O HYP A 3 0.422 -4.146 5.607 1.00 87.91 O +HETATM 16 CB HYP A 3 -0.298 -6.315 3.371 1.00 84.79 C +HETATM 17 CG HYP A 3 -0.521 -7.775 3.726 1.00 79.18 C +HETATM 18 CD HYP A 3 -0.117 -7.835 5.211 1.00 82.75 C +HETATM 19 OD1 HYP A 3 0.333 -8.597 2.984 1.00 85.62 O +ATOM 20 N GLY A 4 1.660 -3.672 3.820 1.00 88.90 N +ATOM 21 CA GLY A 4 1.629 -2.262 4.078 1.00 86.78 C +ATOM 22 C GLY A 4 0.266 -1.668 3.784 1.00 86.11 C +ATOM 23 O GLY A 4 -0.640 -2.346 3.307 1.00 87.61 O +ATOM 24 N PRO A 5 0.119 -0.387 4.052 1.00 88.60 N +ATOM 25 CA PRO A 5 -1.151 0.278 3.812 1.00 87.46 C +ATOM 26 C PRO A 5 -1.398 0.488 2.329 1.00 86.94 C +ATOM 27 O PRO A 5 -0.478 0.441 1.518 1.00 85.80 O +ATOM 28 CB PRO A 5 -0.986 1.609 4.542 1.00 85.19 C +ATOM 29 CG PRO A 5 0.469 1.869 4.459 1.00 82.81 C +ATOM 30 CD PRO A 5 1.135 0.522 4.574 1.00 85.83 C +HETATM 31 N HYP A 6 -2.647 0.734 1.986 1.00 84.86 N +HETATM 32 CA HYP A 6 -2.984 1.084 0.625 1.00 88.86 C +HETATM 33 C HYP A 6 -2.238 2.292 0.146 1.00 85.79 C +HETATM 34 O HYP A 6 -1.931 3.203 0.933 1.00 86.93 O +HETATM 35 CB HYP A 6 -4.510 1.380 0.759 1.00 83.92 C +HETATM 36 CG HYP A 6 -4.948 0.523 1.924 1.00 82.53 C +HETATM 37 CD HYP A 6 -3.794 0.627 2.872 1.00 85.01 C +HETATM 38 OD1 HYP A 6 -5.114 -0.810 1.513 1.00 86.83 O +ATOM 39 N GLY A 7 -1.851 2.267 -1.092 1.00 88.40 N +ATOM 40 CA GLY A 7 -1.191 3.390 -1.688 1.00 85.56 C +ATOM 41 C GLY A 7 -2.115 4.584 -1.790 1.00 85.82 C +ATOM 42 O GLY A 7 -3.307 4.503 -1.498 1.00 86.09 O +ATOM 43 N PRO A 8 -1.566 5.708 -2.214 1.00 87.40 N +ATOM 44 CA PRO A 8 -2.377 6.903 -2.337 1.00 87.36 C +ATOM 45 C PRO A 8 -3.329 6.806 -3.518 1.00 87.53 C +ATOM 46 O PRO A 8 -3.117 6.034 -4.445 1.00 86.05 O +ATOM 47 CB PRO A 8 -1.351 8.008 -2.543 1.00 85.20 C +ATOM 48 CG PRO A 8 -0.217 7.310 -3.213 1.00 84.01 C +ATOM 49 CD PRO A 8 -0.182 5.929 -2.607 1.00 85.90 C +HETATM 50 N HYP A 9 -4.360 7.633 -3.464 1.00 81.95 N +HETATM 51 CA HYP A 9 -5.264 7.694 -4.552 1.00 85.59 C +HETATM 52 C HYP A 9 -4.603 8.170 -5.811 1.00 82.85 C +HETATM 53 O HYP A 9 -3.661 8.961 -5.765 1.00 84.43 O +HETATM 54 CB HYP A 9 -6.219 8.831 -4.077 1.00 81.39 C +HETATM 55 CG HYP A 9 -6.187 8.763 -2.601 1.00 78.87 C +HETATM 56 CD HYP A 9 -4.767 8.446 -2.310 1.00 82.91 C +HETATM 57 OD1 HYP A 9 -7.009 7.711 -2.146 1.00 81.54 O +ATOM 58 N GLY A 10 -5.008 7.610 -6.914 1.00 86.20 N +ATOM 59 CA GLY A 10 -4.574 8.116 -8.186 1.00 84.09 C +ATOM 60 C GLY A 10 -5.215 9.459 -8.438 1.00 84.85 C +ATOM 61 O GLY A 10 -5.787 10.084 -7.541 1.00 83.61 O +ATOM 62 N HIS A 11 -5.132 9.904 -9.654 1.00 86.19 N +ATOM 63 CA HIS A 11 -5.763 11.162 -10.033 1.00 89.28 C +ATOM 64 C HIS A 11 -7.204 10.881 -10.406 1.00 89.01 C +ATOM 65 O HIS A 11 -7.492 10.382 -11.491 1.00 87.33 O +ATOM 66 CB HIS A 11 -4.984 11.797 -11.179 1.00 87.27 C +ATOM 67 CG HIS A 11 -3.613 12.227 -10.761 1.00 82.86 C +ATOM 68 ND1 HIS A 11 -2.467 11.641 -11.246 1.00 79.74 N +ATOM 69 CD2 HIS A 11 -3.216 13.167 -9.887 1.00 77.95 C +ATOM 70 CE1 HIS A 11 -1.423 12.225 -10.687 1.00 79.78 C +ATOM 71 NE2 HIS A 11 -1.852 13.155 -9.852 1.00 80.68 N +HETATM 72 N HYP A 12 -8.120 11.156 -9.518 1.00 82.90 N +HETATM 73 CA HYP A 12 -9.341 10.504 -9.477 1.00 80.81 C +HETATM 74 C HYP A 12 -9.454 9.100 -9.267 1.00 84.97 C +HETATM 75 O HYP A 12 -10.486 8.435 -9.392 1.00 83.38 O +HETATM 76 CB HYP A 12 -10.434 11.468 -9.221 1.00 77.73 C +HETATM 77 CG HYP A 12 -9.702 12.866 -9.277 1.00 78.03 C +HETATM 78 CD HYP A 12 -8.263 12.519 -9.158 1.00 79.45 C +HETATM 79 OD1 HYP A 12 -9.914 13.541 -10.463 1.00 81.44 O +ATOM 80 N GLY A 13 -8.338 8.448 -8.925 1.00 86.80 N +ATOM 81 CA GLY A 13 -8.267 7.012 -8.769 1.00 84.86 C +ATOM 82 C GLY A 13 -8.410 6.565 -7.331 1.00 85.24 C +ATOM 83 O GLY A 13 -8.302 7.359 -6.399 1.00 85.45 O +ATOM 84 N PRO A 14 -8.644 5.289 -7.146 1.00 85.72 N +ATOM 85 CA PRO A 14 -8.788 4.724 -5.818 1.00 85.45 C +ATOM 86 C PRO A 14 -7.429 4.540 -5.159 1.00 85.42 C +ATOM 87 O PRO A 14 -6.387 4.709 -5.786 1.00 84.41 O +ATOM 88 CB PRO A 14 -9.448 3.379 -6.088 1.00 83.30 C +ATOM 89 CG PRO A 14 -8.904 2.984 -7.416 1.00 81.16 C +ATOM 90 CD PRO A 14 -8.780 4.274 -8.189 1.00 81.42 C +HETATM 91 N HYP A 15 -7.504 4.167 -3.879 1.00 82.55 N +HETATM 92 CA HYP A 15 -6.266 3.855 -3.216 1.00 85.35 C +HETATM 93 C HYP A 15 -5.503 2.769 -3.902 1.00 85.57 C +HETATM 94 O HYP A 15 -6.105 1.889 -4.533 1.00 86.90 O +HETATM 95 CB HYP A 15 -6.792 3.324 -1.833 1.00 82.27 C +HETATM 96 CG HYP A 15 -8.091 4.066 -1.651 1.00 82.01 C +HETATM 97 CD HYP A 15 -8.685 4.080 -3.058 1.00 84.04 C +HETATM 98 OD1 HYP A 15 -7.844 5.362 -1.212 1.00 84.00 O +ATOM 99 N GLY A 16 -4.219 2.861 -3.848 1.00 87.82 N +ATOM 100 CA GLY A 16 -3.394 1.841 -4.430 1.00 86.65 C +ATOM 101 C GLY A 16 -3.487 0.539 -3.653 1.00 87.54 C +ATOM 102 O GLY A 16 -4.147 0.459 -2.617 1.00 87.78 O +ATOM 103 N PRO A 17 -2.818 -0.479 -4.161 1.00 88.43 N +ATOM 104 CA PRO A 17 -2.832 -1.771 -3.485 1.00 88.78 C +ATOM 105 C PRO A 17 -2.033 -1.718 -2.193 1.00 89.13 C +ATOM 106 O PRO A 17 -1.218 -0.822 -1.982 1.00 87.40 O +ATOM 107 CB PRO A 17 -2.192 -2.709 -4.502 1.00 86.54 C +ATOM 108 CG PRO A 17 -1.284 -1.823 -5.277 1.00 86.11 C +ATOM 109 CD PRO A 17 -1.984 -0.500 -5.357 1.00 88.07 C +HETATM 110 N HYP A 18 -2.242 -2.675 -1.323 1.00 86.38 N +HETATM 111 CA HYP A 18 -1.468 -2.788 -0.148 1.00 92.39 C +HETATM 112 C HYP A 18 -0.010 -2.854 -0.438 1.00 91.29 C +HETATM 113 O HYP A 18 0.403 -3.396 -1.482 1.00 90.23 O +HETATM 114 CB HYP A 18 -2.013 -4.058 0.486 1.00 88.40 C +HETATM 115 CG HYP A 18 -3.438 -4.121 0.015 1.00 85.96 C +HETATM 116 CD HYP A 18 -3.324 -3.650 -1.414 1.00 88.20 C +HETATM 117 OD1 HYP A 18 -4.237 -3.231 0.755 1.00 88.09 O +ATOM 118 N GLY A 19 0.771 -2.273 0.406 1.00 89.83 N +ATOM 119 CA GLY A 19 2.199 -2.341 0.271 1.00 89.39 C +ATOM 120 C GLY A 19 2.710 -3.752 0.494 1.00 89.80 C +ATOM 121 O GLY A 19 1.950 -4.674 0.798 1.00 89.95 O +ATOM 122 N PRO A 20 4.000 -3.919 0.343 1.00 86.62 N +ATOM 123 CA PRO A 20 4.583 -5.247 0.513 1.00 86.49 C +ATOM 124 C PRO A 20 4.573 -5.675 1.968 1.00 86.40 C +ATOM 125 O PRO A 20 4.452 -4.858 2.873 1.00 85.62 O +ATOM 126 CB PRO A 20 6.011 -5.065 -0.002 1.00 83.68 C +ATOM 127 CG PRO A 20 6.299 -3.636 0.235 1.00 81.09 C +ATOM 128 CD PRO A 20 4.999 -2.914 0.022 1.00 83.37 C +HETATM 129 N HYP A 21 4.702 -6.949 2.211 1.00 85.85 N +HETATM 130 CA HYP A 21 4.781 -7.486 3.496 1.00 88.19 C +HETATM 131 C HYP A 21 5.935 -6.928 4.308 1.00 87.38 C +HETATM 132 O HYP A 21 6.956 -6.576 3.722 1.00 88.00 O +HETATM 133 CB HYP A 21 4.965 -8.973 3.262 1.00 85.74 C +HETATM 134 CG HYP A 21 4.291 -9.200 1.953 1.00 83.50 C +HETATM 135 CD HYP A 21 4.632 -7.968 1.175 1.00 86.13 C +HETATM 136 OD1 HYP A 21 2.884 -9.261 2.121 1.00 86.42 O +ATOM 137 N GLY A 22 5.715 -6.684 5.541 1.00 86.24 N +ATOM 138 CA GLY A 22 6.758 -6.235 6.416 1.00 84.06 C +ATOM 139 C GLY A 22 7.780 -7.327 6.675 1.00 83.50 C +ATOM 140 O GLY A 22 7.737 -8.396 6.061 1.00 83.10 O +ATOM 141 N PRO A 23 8.700 -7.079 7.593 1.00 82.74 N +ATOM 142 CA PRO A 23 9.710 -8.084 7.921 1.00 84.37 C +ATOM 143 C PRO A 23 9.061 -9.347 8.454 1.00 83.20 C +ATOM 144 O PRO A 23 7.988 -9.297 9.039 1.00 79.75 O +ATOM 145 CB PRO A 23 10.540 -7.413 9.011 1.00 80.37 C +ATOM 146 CG PRO A 23 10.248 -5.976 8.882 1.00 77.85 C +ATOM 147 CD PRO A 23 8.845 -5.873 8.379 1.00 79.75 C +HETATM 148 N HYP A 24 9.670 -10.436 8.335 1.00 85.95 N +HETATM 149 CA HYP A 24 9.085 -11.637 8.814 1.00 82.64 C +HETATM 150 C HYP A 24 8.201 -11.486 9.968 1.00 85.37 C +HETATM 151 O HYP A 24 8.603 -10.756 10.878 1.00 83.12 O +HETATM 152 CB HYP A 24 10.172 -12.652 8.839 1.00 83.31 C +HETATM 153 CG HYP A 24 11.229 -12.082 7.931 1.00 83.18 C +HETATM 154 CD HYP A 24 11.046 -10.568 8.018 1.00 86.68 C +HETATM 155 OD1 HYP A 24 10.990 -12.459 6.579 1.00 84.59 O +HETATM 156 OXT HYP A 24 7.164 -12.210 10.027 1.00 79.58 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_124.txt b/protein_pdb_124.txt new file mode 100644 index 0000000000000000000000000000000000000000..f9e44faafb328e78cdf8ba7fd881ad1fbe178486 --- /dev/null +++ b/protein_pdb_124.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -28.626 -2.596 -18.952 1.00 83.34 N +ATOM 2 CA GLY A 1 -28.346 -1.414 -18.145 1.00 86.70 C +ATOM 3 C GLY A 1 -27.026 -0.779 -18.517 1.00 87.70 C +ATOM 4 O GLY A 1 -26.248 -1.356 -19.277 1.00 85.65 O +ATOM 5 N PRO A 2 -26.726 0.395 -17.996 1.00 86.11 N +ATOM 6 CA PRO A 2 -25.471 1.076 -18.297 1.00 89.97 C +ATOM 7 C PRO A 2 -24.283 0.354 -17.668 1.00 90.01 C +ATOM 8 O PRO A 2 -24.433 -0.435 -16.740 1.00 88.56 O +ATOM 9 CB PRO A 2 -25.657 2.468 -17.689 1.00 87.84 C +ATOM 10 CG PRO A 2 -26.623 2.243 -16.581 1.00 84.00 C +ATOM 11 CD PRO A 2 -27.557 1.165 -17.069 1.00 84.76 C +HETATM 12 N HYP A 3 -23.167 0.594 -18.198 1.00 90.27 N +HETATM 13 CA HYP A 3 -21.901 0.061 -17.614 1.00 90.25 C +HETATM 14 C HYP A 3 -21.727 0.489 -16.198 1.00 90.77 C +HETATM 15 O HYP A 3 -22.160 1.574 -15.781 1.00 91.24 O +HETATM 16 CB HYP A 3 -20.858 0.673 -18.551 1.00 90.29 C +HETATM 17 CG HYP A 3 -21.589 0.892 -19.863 1.00 87.25 C +HETATM 18 CD HYP A 3 -22.980 1.354 -19.390 1.00 89.56 C +HETATM 19 OD1 HYP A 3 -21.745 -0.283 -20.601 1.00 89.75 O +ATOM 20 N GLY A 4 -21.130 -0.399 -15.380 1.00 93.14 N +ATOM 21 CA GLY A 4 -20.895 -0.117 -13.984 1.00 92.45 C +ATOM 22 C GLY A 4 -19.876 0.992 -13.797 1.00 92.42 C +ATOM 23 O GLY A 4 -19.170 1.379 -14.734 1.00 91.66 O +ATOM 24 N PRO A 5 -19.774 1.519 -12.579 1.00 93.11 N +ATOM 25 CA PRO A 5 -18.820 2.590 -12.291 1.00 93.27 C +ATOM 26 C PRO A 5 -17.393 2.071 -12.284 1.00 93.10 C +ATOM 27 O PRO A 5 -17.148 0.874 -12.180 1.00 91.60 O +ATOM 28 CB PRO A 5 -19.243 3.079 -10.913 1.00 91.45 C +ATOM 29 CG PRO A 5 -19.826 1.864 -10.282 1.00 89.68 C +ATOM 30 CD PRO A 5 -20.535 1.130 -11.396 1.00 91.59 C +HETATM 31 N HYP A 6 -16.452 2.981 -12.430 1.00 92.17 N +HETATM 32 CA HYP A 6 -15.036 2.609 -12.232 1.00 93.55 C +HETATM 33 C HYP A 6 -14.755 2.013 -10.917 1.00 93.49 C +HETATM 34 O HYP A 6 -15.405 2.366 -9.910 1.00 92.33 O +HETATM 35 CB HYP A 6 -14.349 3.982 -12.450 1.00 91.62 C +HETATM 36 CG HYP A 6 -15.283 4.751 -13.361 1.00 89.07 C +HETATM 37 CD HYP A 6 -16.644 4.341 -12.829 1.00 90.41 C +HETATM 38 OD1 HYP A 6 -15.136 4.366 -14.704 1.00 88.94 O +ATOM 39 N GLY A 7 -13.797 1.060 -10.834 1.00 94.41 N +ATOM 40 CA GLY A 7 -13.425 0.393 -9.609 1.00 94.26 C +ATOM 41 C GLY A 7 -12.792 1.346 -8.612 1.00 94.70 C +ATOM 42 O GLY A 7 -12.454 2.484 -8.941 1.00 94.10 O +ATOM 43 N PRO A 8 -12.611 0.887 -7.379 1.00 92.40 N +ATOM 44 CA PRO A 8 -12.011 1.716 -6.344 1.00 92.46 C +ATOM 45 C PRO A 8 -10.508 1.859 -6.548 1.00 92.41 C +ATOM 46 O PRO A 8 -9.895 1.113 -7.307 1.00 91.17 O +ATOM 47 CB PRO A 8 -12.321 0.958 -5.059 1.00 90.76 C +ATOM 48 CG PRO A 8 -12.345 -0.464 -5.505 1.00 89.55 C +ATOM 49 CD PRO A 8 -12.956 -0.439 -6.879 1.00 90.77 C +HETATM 50 N HYP A 9 -9.918 2.801 -5.884 1.00 91.78 N +HETATM 51 CA HYP A 9 -8.488 2.948 -5.856 1.00 93.39 C +HETATM 52 C HYP A 9 -7.819 1.747 -5.328 1.00 93.09 C +HETATM 53 O HYP A 9 -8.363 1.054 -4.467 1.00 92.18 O +HETATM 54 CB HYP A 9 -8.292 4.164 -4.911 1.00 91.45 C +HETATM 55 CG HYP A 9 -9.559 4.948 -5.031 1.00 89.62 C +HETATM 56 CD HYP A 9 -10.579 3.862 -5.164 1.00 91.92 C +HETATM 57 OD1 HYP A 9 -9.544 5.738 -6.214 1.00 88.39 O +ATOM 58 N GLY A 10 -6.591 1.471 -5.755 1.00 93.00 N +ATOM 59 CA GLY A 10 -5.827 0.346 -5.282 1.00 91.45 C +ATOM 60 C GLY A 10 -5.477 0.476 -3.808 1.00 91.24 C +ATOM 61 O GLY A 10 -5.643 1.524 -3.188 1.00 89.90 O +ATOM 62 N ASN A 11 -4.977 -0.630 -3.256 1.00 91.04 N +ATOM 63 CA ASN A 11 -4.574 -0.645 -1.853 1.00 90.98 C +ATOM 64 C ASN A 11 -3.330 0.207 -1.643 1.00 90.47 C +ATOM 65 O ASN A 11 -2.538 0.407 -2.567 1.00 89.15 O +ATOM 66 CB ASN A 11 -4.279 -2.072 -1.408 1.00 87.87 C +ATOM 67 CG ASN A 11 -5.498 -2.959 -1.403 1.00 83.22 C +ATOM 68 OD1 ASN A 11 -6.611 -2.499 -1.167 1.00 78.62 O +ATOM 69 ND2 ASN A 11 -5.295 -4.240 -1.652 1.00 77.57 N +ATOM 70 N PRO A 12 -3.120 0.693 -0.418 1.00 87.54 N +ATOM 71 CA PRO A 12 -1.869 1.389 -0.131 1.00 87.20 C +ATOM 72 C PRO A 12 -0.685 0.469 -0.368 1.00 87.25 C +ATOM 73 O PRO A 12 -0.797 -0.758 -0.264 1.00 83.86 O +ATOM 74 CB PRO A 12 -1.989 1.765 1.350 1.00 84.57 C +ATOM 75 CG PRO A 12 -3.454 1.800 1.616 1.00 82.26 C +ATOM 76 CD PRO A 12 -4.028 0.718 0.752 1.00 82.68 C +ATOM 77 N GLY A 13 0.421 1.077 -0.716 1.00 91.16 N +ATOM 78 CA GLY A 13 1.628 0.302 -0.912 1.00 89.37 C +ATOM 79 C GLY A 13 2.126 -0.308 0.381 1.00 90.28 C +ATOM 80 O GLY A 13 1.664 0.037 1.467 1.00 90.77 O +ATOM 81 N PRO A 14 3.095 -1.237 0.291 1.00 90.63 N +ATOM 82 CA PRO A 14 3.634 -1.880 1.485 1.00 91.67 C +ATOM 83 C PRO A 14 4.502 -0.923 2.280 1.00 91.62 C +ATOM 84 O PRO A 14 4.964 0.092 1.767 1.00 91.31 O +ATOM 85 CB PRO A 14 4.451 -3.039 0.923 1.00 90.50 C +ATOM 86 CG PRO A 14 4.888 -2.550 -0.413 1.00 88.74 C +ATOM 87 CD PRO A 14 3.730 -1.732 -0.935 1.00 89.95 C +HETATM 88 N HYP A 15 4.744 -1.243 3.557 1.00 89.28 N +HETATM 89 CA HYP A 15 5.660 -0.505 4.371 1.00 90.35 C +HETATM 90 C HYP A 15 7.067 -0.522 3.801 1.00 92.15 C +HETATM 91 O HYP A 15 7.447 -1.474 3.107 1.00 89.26 O +HETATM 92 CB HYP A 15 5.598 -1.333 5.679 1.00 88.84 C +HETATM 93 CG HYP A 15 4.208 -1.916 5.684 1.00 84.05 C +HETATM 94 CD HYP A 15 4.012 -2.261 4.251 1.00 88.15 C +HETATM 95 OD1 HYP A 15 3.258 -0.960 6.082 1.00 89.25 O +ATOM 96 N GLY A 16 7.794 0.543 3.984 1.00 94.84 N +ATOM 97 CA GLY A 16 9.157 0.602 3.536 1.00 93.99 C +ATOM 98 C GLY A 16 10.033 -0.386 4.292 1.00 94.53 C +ATOM 99 O GLY A 16 9.609 -0.972 5.293 1.00 94.17 O +ATOM 100 N PRO A 17 11.265 -0.568 3.827 1.00 90.92 N +ATOM 101 CA PRO A 17 12.174 -1.489 4.497 1.00 91.36 C +ATOM 102 C PRO A 17 12.623 -0.931 5.842 1.00 91.42 C +ATOM 103 O PRO A 17 12.527 0.259 6.104 1.00 90.35 O +ATOM 104 CB PRO A 17 13.335 -1.608 3.520 1.00 89.72 C +ATOM 105 CG PRO A 17 13.329 -0.306 2.802 1.00 87.91 C +ATOM 106 CD PRO A 17 11.874 0.065 2.659 1.00 88.89 C +HETATM 107 N HYP A 18 13.139 -1.780 6.711 1.00 89.25 N +HETATM 108 CA HYP A 18 13.703 -1.356 7.964 1.00 92.47 C +HETATM 109 C HYP A 18 14.845 -0.374 7.759 1.00 90.95 C +HETATM 110 O HYP A 18 15.607 -0.476 6.782 1.00 92.27 O +HETATM 111 CB HYP A 18 14.184 -2.669 8.565 1.00 90.27 C +HETATM 112 CG HYP A 18 13.281 -3.716 7.978 1.00 88.69 C +HETATM 113 CD HYP A 18 13.093 -3.215 6.563 1.00 89.89 C +HETATM 114 OD1 HYP A 18 12.033 -3.749 8.623 1.00 91.90 O +ATOM 115 N GLY A 19 14.948 0.581 8.653 1.00 93.62 N +ATOM 116 CA GLY A 19 16.003 1.552 8.603 1.00 92.56 C +ATOM 117 C GLY A 19 17.359 0.908 8.831 1.00 92.82 C +ATOM 118 O GLY A 19 17.454 -0.266 9.187 1.00 92.78 O +ATOM 119 N PRO A 20 18.423 1.679 8.624 1.00 90.81 N +ATOM 120 CA PRO A 20 19.763 1.142 8.813 1.00 90.58 C +ATOM 121 C PRO A 20 20.066 0.930 10.289 1.00 90.21 C +ATOM 122 O PRO A 20 19.411 1.488 11.163 1.00 89.34 O +ATOM 123 CB PRO A 20 20.659 2.226 8.209 1.00 88.13 C +ATOM 124 CG PRO A 20 19.874 3.477 8.411 1.00 85.40 C +ATOM 125 CD PRO A 20 18.433 3.081 8.223 1.00 87.68 C +HETATM 126 N HYP A 21 21.083 0.101 10.604 1.00 93.06 N +HETATM 127 CA HYP A 21 21.517 -0.074 11.945 1.00 93.09 C +HETATM 128 C HYP A 21 22.018 1.225 12.599 1.00 92.29 C +HETATM 129 O HYP A 21 22.534 2.072 11.891 1.00 92.51 O +HETATM 130 CB HYP A 21 22.719 -1.054 11.787 1.00 91.76 C +HETATM 131 CG HYP A 21 22.428 -1.828 10.532 1.00 90.84 C +HETATM 132 CD HYP A 21 21.786 -0.768 9.668 1.00 92.44 C +HETATM 133 OD1 HYP A 21 21.487 -2.844 10.795 1.00 91.04 O +ATOM 134 N GLY A 22 21.764 1.409 13.845 1.00 91.34 N +ATOM 135 CA GLY A 22 22.224 2.569 14.552 1.00 90.48 C +ATOM 136 C GLY A 22 23.743 2.635 14.585 1.00 90.90 C +ATOM 137 O GLY A 22 24.427 1.688 14.200 1.00 90.71 O +ATOM 138 N PRO A 23 24.302 3.750 15.079 1.00 85.33 N +ATOM 139 CA PRO A 23 25.752 3.881 15.132 1.00 86.38 C +ATOM 140 C PRO A 23 26.345 2.953 16.175 1.00 85.44 C +ATOM 141 O PRO A 23 25.682 2.551 17.126 1.00 82.92 O +ATOM 142 CB PRO A 23 25.952 5.349 15.500 1.00 83.15 C +ATOM 143 CG PRO A 23 24.715 5.703 16.243 1.00 78.90 C +ATOM 144 CD PRO A 23 23.610 4.922 15.594 1.00 81.01 C +HETATM 145 N HYP A 24 27.591 2.622 16.068 1.00 89.19 N +HETATM 146 CA HYP A 24 28.221 1.777 17.046 1.00 91.11 C +HETATM 147 C HYP A 24 28.280 2.500 18.370 1.00 90.66 C +HETATM 148 O HYP A 24 28.473 3.734 18.358 1.00 91.15 O +HETATM 149 CB HYP A 24 29.698 1.616 16.520 1.00 90.93 C +HETATM 150 CG HYP A 24 29.657 1.967 15.087 1.00 89.43 C +HETATM 151 CD HYP A 24 28.477 2.955 14.967 1.00 89.06 C +HETATM 152 OD1 HYP A 24 29.328 0.814 14.343 1.00 86.88 O +HETATM 153 OXT HYP A 24 28.153 1.815 19.380 1.00 83.80 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_125.txt b/protein_pdb_125.txt new file mode 100644 index 0000000000000000000000000000000000000000..d0eafa4a7afa8595c15056fd246b5c381cd68e4c --- /dev/null +++ b/protein_pdb_125.txt @@ -0,0 +1,1583 @@ +ATOM 1 N GLY A 1 -38.252 35.241 64.165 1.00 58.67 N +ATOM 2 CA GLY A 1 -37.044 34.553 63.673 1.00 65.30 C +ATOM 3 C GLY A 1 -36.833 34.906 62.219 1.00 63.11 C +ATOM 4 O GLY A 1 -37.824 35.042 61.512 1.00 59.13 O +ATOM 5 N LEU A 2 -35.602 35.120 61.830 1.00 63.81 N +ATOM 6 CA LEU A 2 -35.272 35.407 60.430 1.00 70.77 C +ATOM 7 C LEU A 2 -35.480 34.153 59.559 1.00 66.14 C +ATOM 8 O LEU A 2 -35.257 33.043 60.047 1.00 65.17 O +ATOM 9 CB LEU A 2 -33.826 35.931 60.336 1.00 69.78 C +ATOM 10 CG LEU A 2 -33.600 37.318 60.973 1.00 61.71 C +ATOM 11 CD1 LEU A 2 -32.102 37.620 61.065 1.00 57.65 C +ATOM 12 CD2 LEU A 2 -34.270 38.433 60.165 1.00 56.54 C +ATOM 13 N PRO A 3 -35.897 34.304 58.288 1.00 65.82 N +ATOM 14 CA PRO A 3 -35.982 33.174 57.362 1.00 71.73 C +ATOM 15 C PRO A 3 -34.611 32.523 57.158 1.00 69.19 C +ATOM 16 O PRO A 3 -33.605 33.217 57.027 1.00 65.97 O +ATOM 17 CB PRO A 3 -36.526 33.742 56.038 1.00 71.42 C +ATOM 18 CG PRO A 3 -37.156 35.072 56.426 1.00 66.29 C +ATOM 19 CD PRO A 3 -36.325 35.531 57.624 1.00 65.69 C +ATOM 20 N GLY A 4 -34.576 31.191 57.113 1.00 69.35 N +ATOM 21 CA GLY A 4 -33.355 30.439 56.819 1.00 71.65 C +ATOM 22 C GLY A 4 -32.831 30.696 55.399 1.00 71.07 C +ATOM 23 O GLY A 4 -33.599 31.098 54.522 1.00 70.63 O +ATOM 24 N PRO A 5 -31.534 30.466 55.153 1.00 64.78 N +ATOM 25 CA PRO A 5 -30.930 30.688 53.853 1.00 70.17 C +ATOM 26 C PRO A 5 -31.549 29.769 52.784 1.00 66.58 C +ATOM 27 O PRO A 5 -31.951 28.633 53.054 1.00 65.46 O +ATOM 28 CB PRO A 5 -29.427 30.442 54.042 1.00 70.45 C +ATOM 29 CG PRO A 5 -29.371 29.483 55.223 1.00 66.70 C +ATOM 30 CD PRO A 5 -30.556 29.915 56.091 1.00 68.27 C +ATOM 31 N ARG A 6 -31.638 30.283 51.544 1.00 72.28 N +ATOM 32 CA ARG A 6 -32.096 29.527 50.373 1.00 76.96 C +ATOM 33 C ARG A 6 -31.141 28.369 50.104 1.00 71.15 C +ATOM 34 O ARG A 6 -29.939 28.576 50.058 1.00 65.53 O +ATOM 35 CB ARG A 6 -32.189 30.489 49.176 1.00 73.37 C +ATOM 36 CG ARG A 6 -32.714 29.834 47.895 1.00 69.14 C +ATOM 37 CD ARG A 6 -32.843 30.889 46.795 1.00 65.33 C +ATOM 38 NE ARG A 6 -33.346 30.324 45.530 1.00 61.72 N +ATOM 39 CZ ARG A 6 -33.667 30.998 44.435 1.00 56.44 C +ATOM 40 NH1 ARG A 6 -33.568 32.301 44.388 1.00 56.24 N +ATOM 41 NH2 ARG A 6 -34.091 30.376 43.369 1.00 55.88 N +ATOM 42 N GLY A 7 -31.681 27.154 49.932 1.00 68.27 N +ATOM 43 CA GLY A 7 -30.880 25.969 49.599 1.00 70.19 C +ATOM 44 C GLY A 7 -30.089 26.151 48.304 1.00 70.91 C +ATOM 45 O GLY A 7 -30.558 26.799 47.369 1.00 69.47 O +ATOM 46 N GLU A 8 -28.885 25.571 48.270 1.00 62.56 N +ATOM 47 CA GLU A 8 -28.003 25.606 47.108 1.00 70.07 C +ATOM 48 C GLU A 8 -28.634 24.884 45.904 1.00 66.01 C +ATOM 49 O GLU A 8 -29.376 23.910 46.037 1.00 64.59 O +ATOM 50 CB GLU A 8 -26.620 25.014 47.438 1.00 68.45 C +ATOM 51 CG GLU A 8 -25.873 25.865 48.486 1.00 61.77 C +ATOM 52 CD GLU A 8 -24.432 25.395 48.733 1.00 58.52 C +ATOM 53 OE1 GLU A 8 -23.669 26.219 49.277 1.00 55.41 O +ATOM 54 OE2 GLU A 8 -24.120 24.234 48.377 1.00 56.03 O +ATOM 55 N GLN A 9 -28.343 25.396 44.702 1.00 66.07 N +ATOM 56 CA GLN A 9 -28.791 24.798 43.448 1.00 71.59 C +ATOM 57 C GLN A 9 -28.111 23.433 43.254 1.00 68.56 C +ATOM 58 O GLN A 9 -26.893 23.330 43.360 1.00 64.33 O +ATOM 59 CB GLN A 9 -28.502 25.785 42.303 1.00 70.78 C +ATOM 60 CG GLN A 9 -28.976 25.279 40.933 1.00 67.65 C +ATOM 61 CD GLN A 9 -28.796 26.315 39.822 1.00 64.50 C +ATOM 62 OE1 GLN A 9 -28.504 27.480 40.030 1.00 63.47 O +ATOM 63 NE2 GLN A 9 -29.001 25.939 38.584 1.00 59.87 N +ATOM 64 N GLY A 10 -28.900 22.396 42.978 1.00 65.19 N +ATOM 65 CA GLY A 10 -28.357 21.057 42.733 1.00 67.97 C +ATOM 66 C GLY A 10 -27.401 21.024 41.534 1.00 68.40 C +ATOM 67 O GLY A 10 -27.545 21.820 40.604 1.00 67.65 O +ATOM 68 N PRO A 11 -26.427 20.086 41.529 1.00 59.85 N +ATOM 69 CA PRO A 11 -25.440 19.991 40.461 1.00 65.51 C +ATOM 70 C PRO A 11 -26.105 19.669 39.111 1.00 62.84 C +ATOM 71 O PRO A 11 -27.086 18.928 39.038 1.00 61.84 O +ATOM 72 CB PRO A 11 -24.453 18.900 40.900 1.00 66.13 C +ATOM 73 CG PRO A 11 -25.287 18.021 41.833 1.00 63.33 C +ATOM 74 CD PRO A 11 -26.215 19.032 42.511 1.00 64.43 C +ATOM 75 N THR A 12 -25.531 20.216 38.038 1.00 67.55 N +ATOM 76 CA THR A 12 -25.930 19.904 36.663 1.00 71.50 C +ATOM 77 C THR A 12 -25.742 18.404 36.398 1.00 67.45 C +ATOM 78 O THR A 12 -24.715 17.836 36.744 1.00 63.74 O +ATOM 79 CB THR A 12 -25.105 20.727 35.656 1.00 70.22 C +ATOM 80 OG1 THR A 12 -25.220 22.101 35.968 1.00 67.61 O +ATOM 81 CG2 THR A 12 -25.559 20.567 34.212 1.00 66.23 C +ATOM 82 N GLY A 13 -26.748 17.757 35.797 1.00 65.39 N +ATOM 83 CA GLY A 13 -26.686 16.327 35.467 1.00 68.54 C +ATOM 84 C GLY A 13 -25.529 16.002 34.510 1.00 68.53 C +ATOM 85 O GLY A 13 -25.106 16.858 33.731 1.00 67.09 O +ATOM 86 N PRO A 14 -25.018 14.757 34.544 1.00 59.09 N +ATOM 87 CA PRO A 14 -23.911 14.348 33.690 1.00 64.20 C +ATOM 88 C PRO A 14 -24.285 14.419 32.205 1.00 61.50 C +ATOM 89 O PRO A 14 -25.424 14.135 31.819 1.00 60.37 O +ATOM 90 CB PRO A 14 -23.551 12.924 34.129 1.00 65.01 C +ATOM 91 CG PRO A 14 -24.864 12.389 34.713 1.00 63.48 C +ATOM 92 CD PRO A 14 -25.489 13.637 35.349 1.00 63.76 C +ATOM 93 N THR A 15 -23.313 14.768 31.374 1.00 67.46 N +ATOM 94 CA THR A 15 -23.434 14.713 29.911 1.00 71.30 C +ATOM 95 C THR A 15 -23.731 13.272 29.476 1.00 67.26 C +ATOM 96 O THR A 15 -23.112 12.335 29.976 1.00 63.31 O +ATOM 97 CB THR A 15 -22.148 15.221 29.241 1.00 70.28 C +ATOM 98 OG1 THR A 15 -21.837 16.504 29.731 1.00 68.69 O +ATOM 99 CG2 THR A 15 -22.251 15.336 27.721 1.00 67.55 C +ATOM 100 N GLY A 16 -24.691 13.090 28.562 1.00 66.36 N +ATOM 101 CA GLY A 16 -25.048 11.770 28.042 1.00 68.60 C +ATOM 102 C GLY A 16 -23.867 11.066 27.354 1.00 68.73 C +ATOM 103 O GLY A 16 -22.951 11.734 26.869 1.00 67.04 O +ATOM 104 N PRO A 17 -23.887 9.718 27.290 1.00 61.76 N +ATOM 105 CA PRO A 17 -22.824 8.953 26.656 1.00 66.62 C +ATOM 106 C PRO A 17 -22.703 9.295 25.166 1.00 63.68 C +ATOM 107 O PRO A 17 -23.695 9.602 24.496 1.00 61.70 O +ATOM 108 CB PRO A 17 -23.177 7.478 26.887 1.00 66.73 C +ATOM 109 CG PRO A 17 -24.699 7.498 27.040 1.00 65.06 C +ATOM 110 CD PRO A 17 -24.959 8.839 27.734 1.00 65.04 C +ATOM 111 N ALA A 18 -21.470 9.203 24.636 1.00 72.27 N +ATOM 112 CA ALA A 18 -21.222 9.358 23.207 1.00 75.84 C +ATOM 113 C ALA A 18 -21.992 8.293 22.401 1.00 73.25 C +ATOM 114 O ALA A 18 -22.130 7.151 22.835 1.00 67.65 O +ATOM 115 CB ALA A 18 -19.711 9.294 22.946 1.00 73.05 C +ATOM 116 N GLY A 19 -22.494 8.686 21.226 1.00 66.45 N +ATOM 117 CA GLY A 19 -23.192 7.773 20.325 1.00 69.09 C +ATOM 118 C GLY A 19 -22.293 6.619 19.840 1.00 69.41 C +ATOM 119 O GLY A 19 -21.070 6.755 19.838 1.00 67.31 O +ATOM 120 N PRO A 20 -22.899 5.491 19.413 1.00 62.47 N +ATOM 121 CA PRO A 20 -22.143 4.335 18.941 1.00 67.18 C +ATOM 122 C PRO A 20 -21.293 4.688 17.712 1.00 64.05 C +ATOM 123 O PRO A 20 -21.686 5.489 16.861 1.00 60.95 O +ATOM 124 CB PRO A 20 -23.182 3.251 18.637 1.00 66.29 C +ATOM 125 CG PRO A 20 -24.454 4.041 18.341 1.00 63.69 C +ATOM 126 CD PRO A 20 -24.328 5.260 19.273 1.00 64.38 C +ATOM 127 N ARG A 21 -20.120 4.037 17.594 1.00 64.87 N +ATOM 128 CA ARG A 21 -19.208 4.174 16.452 1.00 69.67 C +ATOM 129 C ARG A 21 -19.902 3.736 15.158 1.00 66.37 C +ATOM 130 O ARG A 21 -20.575 2.713 15.135 1.00 61.70 O +ATOM 131 CB ARG A 21 -17.944 3.347 16.744 1.00 67.45 C +ATOM 132 CG ARG A 21 -16.819 3.552 15.723 1.00 64.12 C +ATOM 133 CD ARG A 21 -15.571 2.775 16.156 1.00 64.41 C +ATOM 134 NE ARG A 21 -14.431 2.986 15.242 1.00 60.99 N +ATOM 135 CZ ARG A 21 -13.184 2.585 15.443 1.00 54.92 C +ATOM 136 NH1 ARG A 21 -12.839 1.911 16.502 1.00 54.68 N +ATOM 137 NH2 ARG A 21 -12.259 2.856 14.574 1.00 52.86 N +ATOM 138 N GLY A 22 -19.708 4.506 14.089 1.00 64.75 N +ATOM 139 CA GLY A 22 -20.240 4.172 12.763 1.00 65.98 C +ATOM 140 C GLY A 22 -19.731 2.814 12.250 1.00 66.52 C +ATOM 141 O GLY A 22 -18.612 2.408 12.560 1.00 63.36 O +ATOM 142 N LEU A 23 -20.579 2.118 11.461 1.00 62.73 N +ATOM 143 CA LEU A 23 -20.223 0.837 10.850 1.00 67.57 C +ATOM 144 C LEU A 23 -19.051 1.010 9.870 1.00 65.10 C +ATOM 145 O LEU A 23 -18.916 2.044 9.213 1.00 62.81 O +ATOM 146 CB LEU A 23 -21.446 0.218 10.158 1.00 65.49 C +ATOM 147 CG LEU A 23 -22.602 -0.168 11.108 1.00 60.69 C +ATOM 148 CD1 LEU A 23 -23.809 -0.641 10.293 1.00 58.40 C +ATOM 149 CD2 LEU A 23 -22.214 -1.291 12.069 1.00 56.29 C +ATOM 150 N GLN A 24 -18.226 -0.045 9.747 1.00 65.53 N +ATOM 151 CA GLN A 24 -17.119 -0.096 8.796 1.00 69.50 C +ATOM 152 C GLN A 24 -17.645 0.060 7.361 1.00 66.69 C +ATOM 153 O GLN A 24 -18.646 -0.549 6.995 1.00 62.46 O +ATOM 154 CB GLN A 24 -16.368 -1.424 9.001 1.00 68.01 C +ATOM 155 CG GLN A 24 -15.108 -1.571 8.128 1.00 64.49 C +ATOM 156 CD GLN A 24 -14.320 -2.840 8.454 1.00 62.49 C +ATOM 157 OE1 GLN A 24 -14.607 -3.578 9.381 1.00 60.15 O +ATOM 158 NE2 GLN A 24 -13.276 -3.135 7.705 1.00 55.98 N +ATOM 159 N GLY A 25 -16.973 0.892 6.553 1.00 64.74 N +ATOM 160 CA GLY A 25 -17.316 1.073 5.143 1.00 66.11 C +ATOM 161 C GLY A 25 -17.211 -0.237 4.354 1.00 65.31 C +ATOM 162 O GLY A 25 -16.360 -1.075 4.652 1.00 62.17 O +ATOM 163 N LEU A 26 -18.090 -0.419 3.354 1.00 62.81 N +ATOM 164 CA LEU A 26 -18.041 -1.576 2.465 1.00 67.79 C +ATOM 165 C LEU A 26 -16.740 -1.569 1.643 1.00 66.21 C +ATOM 166 O LEU A 26 -16.257 -0.514 1.245 1.00 63.99 O +ATOM 167 CB LEU A 26 -19.278 -1.597 1.545 1.00 65.35 C +ATOM 168 CG LEU A 26 -20.616 -1.786 2.273 1.00 60.16 C +ATOM 169 CD1 LEU A 26 -21.782 -1.635 1.288 1.00 57.70 C +ATOM 170 CD2 LEU A 26 -20.736 -3.166 2.922 1.00 55.31 C +ATOM 171 N GLN A 27 -16.208 -2.776 1.364 1.00 64.03 N +ATOM 172 CA GLN A 27 -15.049 -2.966 0.495 1.00 68.82 C +ATOM 173 C GLN A 27 -15.328 -2.375 -0.892 1.00 66.29 C +ATOM 174 O GLN A 27 -16.394 -2.606 -1.465 1.00 61.82 O +ATOM 175 CB GLN A 27 -14.726 -4.466 0.438 1.00 66.86 C +ATOM 176 CG GLN A 27 -13.438 -4.789 -0.337 1.00 63.34 C +ATOM 177 CD GLN A 27 -13.080 -6.274 -0.298 1.00 61.37 C +ATOM 178 OE1 GLN A 27 -13.786 -7.112 0.245 1.00 59.33 O +ATOM 179 NE2 GLN A 27 -11.971 -6.662 -0.883 1.00 55.28 N +ATOM 180 N GLY A 28 -14.370 -1.608 -1.435 1.00 60.30 N +ATOM 181 CA GLY A 28 -14.469 -1.062 -2.782 1.00 61.84 C +ATOM 182 C GLY A 28 -14.617 -2.176 -3.832 1.00 61.23 C +ATOM 183 O GLY A 28 -14.004 -3.233 -3.707 1.00 58.64 O +ATOM 184 N LEU A 29 -15.452 -1.938 -4.868 1.00 61.61 N +ATOM 185 CA LEU A 29 -15.596 -2.878 -5.980 1.00 66.49 C +ATOM 186 C LEU A 29 -14.260 -3.015 -6.726 1.00 65.61 C +ATOM 187 O LEU A 29 -13.515 -2.052 -6.878 1.00 63.22 O +ATOM 188 CB LEU A 29 -16.731 -2.440 -6.920 1.00 63.80 C +ATOM 189 CG LEU A 29 -18.134 -2.451 -6.282 1.00 58.89 C +ATOM 190 CD1 LEU A 29 -19.160 -1.884 -7.260 1.00 56.26 C +ATOM 191 CD2 LEU A 29 -18.583 -3.866 -5.888 1.00 54.17 C +ATOM 192 N GLN A 30 -13.971 -4.241 -7.207 1.00 66.23 N +ATOM 193 CA GLN A 30 -12.805 -4.512 -8.045 1.00 72.01 C +ATOM 194 C GLN A 30 -12.867 -3.646 -9.309 1.00 69.27 C +ATOM 195 O GLN A 30 -13.897 -3.602 -9.970 1.00 64.65 O +ATOM 196 CB GLN A 30 -12.780 -6.017 -8.365 1.00 68.90 C +ATOM 197 CG GLN A 30 -11.564 -6.436 -9.187 1.00 64.77 C +ATOM 198 CD GLN A 30 -11.488 -7.946 -9.431 1.00 61.11 C +ATOM 199 OE1 GLN A 30 -12.266 -8.743 -8.937 1.00 59.88 O +ATOM 200 NE2 GLN A 30 -10.535 -8.401 -10.206 1.00 56.45 N +ATOM 201 N GLY A 31 -11.756 -2.958 -9.631 1.00 59.00 N +ATOM 202 CA GLY A 31 -11.667 -2.152 -10.848 1.00 61.14 C +ATOM 203 C GLY A 31 -11.926 -3.000 -12.102 1.00 61.64 C +ATOM 204 O GLY A 31 -11.515 -4.158 -12.169 1.00 59.44 O +ATOM 205 N GLU A 32 -12.613 -2.403 -13.103 1.00 59.41 N +ATOM 206 CA GLU A 32 -12.876 -3.071 -14.379 1.00 66.61 C +ATOM 207 C GLU A 32 -11.566 -3.419 -15.096 1.00 64.93 C +ATOM 208 O GLU A 32 -10.554 -2.730 -14.992 1.00 62.96 O +ATOM 209 CB GLU A 32 -13.801 -2.234 -15.277 1.00 63.86 C +ATOM 210 CG GLU A 32 -15.212 -2.086 -14.654 1.00 58.70 C +ATOM 211 CD GLU A 32 -16.228 -1.431 -15.605 1.00 55.37 C +ATOM 212 OE1 GLU A 32 -17.435 -1.612 -15.341 1.00 52.14 O +ATOM 213 OE2 GLU A 32 -15.803 -0.750 -16.562 1.00 51.77 O +ATOM 214 N ARG A 33 -11.581 -4.560 -15.810 1.00 64.27 N +ATOM 215 CA ARG A 33 -10.443 -5.009 -16.615 1.00 69.88 C +ATOM 216 C ARG A 33 -10.160 -3.977 -17.702 1.00 67.09 C +ATOM 217 O ARG A 33 -11.049 -3.678 -18.481 1.00 62.34 O +ATOM 218 CB ARG A 33 -10.769 -6.395 -17.191 1.00 66.81 C +ATOM 219 CG ARG A 33 -9.605 -6.992 -17.991 1.00 62.95 C +ATOM 220 CD ARG A 33 -9.993 -8.385 -18.486 1.00 62.22 C +ATOM 221 NE ARG A 33 -8.905 -9.045 -19.195 1.00 59.60 N +ATOM 222 CZ ARG A 33 -8.900 -10.290 -19.637 1.00 54.92 C +ATOM 223 NH1 ARG A 33 -9.927 -11.073 -19.489 1.00 54.39 N +ATOM 224 NH2 ARG A 33 -7.847 -10.772 -20.248 1.00 53.14 N +ATOM 225 N GLY A 34 -8.916 -3.474 -17.770 1.00 57.89 N +ATOM 226 CA GLY A 34 -8.526 -2.524 -18.810 1.00 58.77 C +ATOM 227 C GLY A 34 -8.795 -3.074 -20.217 1.00 59.21 C +ATOM 228 O GLY A 34 -8.558 -4.259 -20.479 1.00 57.05 O +ATOM 229 N GLU A 35 -9.310 -2.204 -21.126 1.00 55.79 N +ATOM 230 CA GLU A 35 -9.554 -2.564 -22.522 1.00 61.66 C +ATOM 231 C GLU A 35 -8.246 -2.955 -23.223 1.00 59.44 C +ATOM 232 O GLU A 35 -7.170 -2.409 -22.960 1.00 57.96 O +ATOM 233 CB GLU A 35 -10.266 -1.440 -23.277 1.00 59.52 C +ATOM 234 CG GLU A 35 -11.708 -1.201 -22.775 1.00 54.56 C +ATOM 235 CD GLU A 35 -12.500 -0.241 -23.684 1.00 52.21 C +ATOM 236 OE1 GLU A 35 -13.747 -0.320 -23.628 1.00 49.39 O +ATOM 237 OE2 GLU A 35 -11.870 0.533 -24.435 1.00 49.15 O +ATOM 238 N GLN A 36 -8.341 -3.936 -24.134 1.00 60.05 N +ATOM 239 CA GLN A 36 -7.214 -4.346 -24.957 1.00 63.96 C +ATOM 240 C GLN A 36 -6.780 -3.181 -25.844 1.00 61.06 C +ATOM 241 O GLN A 36 -7.572 -2.651 -26.614 1.00 57.47 O +ATOM 242 CB GLN A 36 -7.623 -5.588 -25.774 1.00 63.46 C +ATOM 243 CG GLN A 36 -6.490 -6.136 -26.653 1.00 61.50 C +ATOM 244 CD GLN A 36 -6.870 -7.421 -27.383 1.00 59.77 C +ATOM 245 OE1 GLN A 36 -7.901 -8.028 -27.172 1.00 60.13 O +ATOM 246 NE2 GLN A 36 -6.028 -7.895 -28.266 1.00 56.65 N +ATOM 247 N GLY A 37 -5.509 -2.767 -25.732 1.00 54.18 N +ATOM 248 CA GLY A 37 -4.974 -1.679 -26.558 1.00 55.28 C +ATOM 249 C GLY A 37 -5.082 -1.999 -28.056 1.00 55.20 C +ATOM 250 O GLY A 37 -4.918 -3.156 -28.448 1.00 53.45 O +ATOM 251 N PRO A 38 -5.332 -0.978 -28.936 1.00 50.59 N +ATOM 252 CA PRO A 38 -5.410 -1.179 -30.375 1.00 53.51 C +ATOM 253 C PRO A 38 -4.076 -1.681 -30.935 1.00 51.43 C +ATOM 254 O PRO A 38 -3.002 -1.240 -30.508 1.00 51.05 O +ATOM 255 CB PRO A 38 -5.830 0.170 -30.964 1.00 53.85 C +ATOM 256 CG PRO A 38 -5.335 1.180 -29.931 1.00 52.74 C +ATOM 257 CD PRO A 38 -5.498 0.427 -28.604 1.00 53.69 C +ATOM 258 N THR A 39 -4.142 -2.571 -31.934 1.00 55.47 N +ATOM 259 CA THR A 39 -2.964 -3.001 -32.702 1.00 58.73 C +ATOM 260 C THR A 39 -2.295 -1.773 -33.326 1.00 56.25 C +ATOM 261 O THR A 39 -2.919 -1.050 -34.096 1.00 54.29 O +ATOM 262 CB THR A 39 -3.359 -4.001 -33.800 1.00 58.68 C +ATOM 263 OG1 THR A 39 -4.082 -5.070 -33.236 1.00 56.52 O +ATOM 264 CG2 THR A 39 -2.160 -4.594 -34.526 1.00 56.74 C +ATOM 265 N GLY A 40 -1.031 -1.503 -32.951 1.00 49.18 N +ATOM 266 CA GLY A 40 -0.328 -0.303 -33.399 1.00 51.03 C +ATOM 267 C GLY A 40 -0.061 -0.313 -34.912 1.00 51.20 C +ATOM 268 O GLY A 40 0.323 -1.349 -35.453 1.00 49.89 O +ATOM 269 N PRO A 41 -0.198 0.851 -35.623 1.00 46.25 N +ATOM 270 CA PRO A 41 0.288 0.999 -36.986 1.00 49.34 C +ATOM 271 C PRO A 41 1.825 0.908 -37.013 1.00 47.55 C +ATOM 272 O PRO A 41 2.504 1.259 -36.045 1.00 47.74 O +ATOM 273 CB PRO A 41 -0.232 2.360 -37.461 1.00 49.99 C +ATOM 274 CG PRO A 41 -0.348 3.171 -36.173 1.00 49.66 C +ATOM 275 CD PRO A 41 -0.734 2.113 -35.126 1.00 51.34 C +ATOM 276 N ALA A 42 2.380 0.465 -38.151 1.00 53.35 N +ATOM 277 CA ALA A 42 3.827 0.446 -38.360 1.00 58.32 C +ATOM 278 C ALA A 42 4.421 1.872 -38.246 1.00 56.29 C +ATOM 279 O ALA A 42 4.081 2.758 -39.014 1.00 53.84 O +ATOM 280 CB ALA A 42 4.121 -0.209 -39.709 1.00 58.26 C +ATOM 281 N GLY A 43 5.212 2.069 -37.220 1.00 42.58 N +ATOM 282 CA GLY A 43 6.019 3.148 -36.662 1.00 45.87 C +ATOM 283 C GLY A 43 5.937 4.610 -37.185 1.00 46.31 C +ATOM 284 O GLY A 43 6.103 4.834 -38.364 1.00 45.02 O +ATOM 285 N PRO A 44 5.914 5.612 -36.307 1.00 43.25 N +ATOM 286 CA PRO A 44 7.157 6.142 -35.747 1.00 47.69 C +ATOM 287 C PRO A 44 7.229 6.025 -34.202 1.00 46.57 C +ATOM 288 O PRO A 44 6.264 5.673 -33.528 1.00 46.72 O +ATOM 289 CB PRO A 44 7.206 7.597 -36.235 1.00 48.28 C +ATOM 290 CG PRO A 44 5.737 8.009 -36.232 1.00 47.50 C +ATOM 291 CD PRO A 44 4.985 6.704 -36.466 1.00 48.51 C +ATOM 292 N ARG A 45 8.426 6.280 -33.651 1.00 43.78 N +ATOM 293 CA ARG A 45 8.801 6.119 -32.233 1.00 48.15 C +ATOM 294 C ARG A 45 7.766 6.733 -31.278 1.00 46.16 C +ATOM 295 O ARG A 45 7.538 7.941 -31.325 1.00 46.06 O +ATOM 296 CB ARG A 45 10.185 6.767 -32.065 1.00 48.77 C +ATOM 297 CG ARG A 45 10.890 6.476 -30.740 1.00 45.48 C +ATOM 298 CD ARG A 45 12.289 7.116 -30.769 1.00 45.13 C +ATOM 299 NE ARG A 45 13.120 6.715 -29.626 1.00 43.02 N +ATOM 300 CZ ARG A 45 14.406 6.976 -29.471 1.00 39.52 C +ATOM 301 NH1 ARG A 45 15.078 7.682 -30.343 1.00 40.41 N +ATOM 302 NH2 ARG A 45 15.057 6.520 -28.440 1.00 39.31 N +ATOM 303 N GLY A 46 7.173 5.918 -30.409 1.00 42.48 N +ATOM 304 CA GLY A 46 6.115 6.349 -29.495 1.00 46.55 C +ATOM 305 C GLY A 46 6.569 7.381 -28.458 1.00 46.23 C +ATOM 306 O GLY A 46 7.667 7.284 -27.911 1.00 44.06 O +ATOM 307 N LEU A 47 5.713 8.377 -28.233 1.00 46.04 N +ATOM 308 CA LEU A 47 5.846 9.328 -27.130 1.00 51.26 C +ATOM 309 C LEU A 47 5.595 8.619 -25.783 1.00 49.71 C +ATOM 310 O LEU A 47 4.923 7.592 -25.746 1.00 49.99 O +ATOM 311 CB LEU A 47 4.872 10.503 -27.344 1.00 50.86 C +ATOM 312 CG LEU A 47 5.185 11.396 -28.565 1.00 48.22 C +ATOM 313 CD1 LEU A 47 4.067 12.391 -28.789 1.00 46.94 C +ATOM 314 CD2 LEU A 47 6.497 12.164 -28.393 1.00 45.60 C +ATOM 315 N PRO A 48 6.143 9.160 -24.670 1.00 53.03 N +ATOM 316 CA PRO A 48 5.861 8.633 -23.338 1.00 56.04 C +ATOM 317 C PRO A 48 4.352 8.589 -23.057 1.00 53.85 C +ATOM 318 O PRO A 48 3.647 9.539 -23.382 1.00 53.42 O +ATOM 319 CB PRO A 48 6.575 9.573 -22.357 1.00 56.47 C +ATOM 320 CG PRO A 48 7.651 10.252 -23.191 1.00 54.21 C +ATOM 321 CD PRO A 48 7.032 10.333 -24.575 1.00 56.08 C +ATOM 322 N GLY A 49 3.876 7.509 -22.442 1.00 51.35 N +ATOM 323 CA GLY A 49 2.471 7.383 -22.052 1.00 53.89 C +ATOM 324 C GLY A 49 2.049 8.485 -21.074 1.00 55.00 C +ATOM 325 O GLY A 49 2.813 8.851 -20.181 1.00 53.29 O +ATOM 326 N GLU A 50 0.828 9.021 -21.262 1.00 45.10 N +ATOM 327 CA GLU A 50 0.266 10.047 -20.396 1.00 51.24 C +ATOM 328 C GLU A 50 -0.015 9.493 -18.989 1.00 50.00 C +ATOM 329 O GLU A 50 -0.320 8.315 -18.789 1.00 50.16 O +ATOM 330 CB GLU A 50 -0.983 10.684 -21.022 1.00 51.16 C +ATOM 331 CG GLU A 50 -0.627 11.461 -22.304 1.00 47.95 C +ATOM 332 CD GLU A 50 -1.785 12.328 -22.836 1.00 44.85 C +ATOM 333 OE1 GLU A 50 -1.466 13.285 -23.581 1.00 43.40 O +ATOM 334 OE2 GLU A 50 -2.949 12.030 -22.498 1.00 43.55 O +ATOM 335 N ARG A 51 0.140 10.370 -17.995 1.00 56.08 N +ATOM 336 CA ARG A 51 -0.153 10.064 -16.595 1.00 61.27 C +ATOM 337 C ARG A 51 -1.651 9.789 -16.451 1.00 57.98 C +ATOM 338 O ARG A 51 -2.447 10.631 -16.834 1.00 56.09 O +ATOM 339 CB ARG A 51 0.305 11.254 -15.747 1.00 60.47 C +ATOM 340 CG ARG A 51 0.106 11.058 -14.242 1.00 57.44 C +ATOM 341 CD ARG A 51 0.632 12.286 -13.499 1.00 57.93 C +ATOM 342 NE ARG A 51 0.506 12.143 -12.047 1.00 56.71 N +ATOM 343 CZ ARG A 51 0.910 13.018 -11.138 1.00 51.74 C +ATOM 344 NH1 ARG A 51 1.481 14.139 -11.475 1.00 52.72 N +ATOM 345 NH2 ARG A 51 0.756 12.766 -9.867 1.00 50.87 N +ATOM 346 N GLY A 52 -2.020 8.662 -15.859 1.00 55.38 N +ATOM 347 CA GLY A 52 -3.419 8.318 -15.621 1.00 56.97 C +ATOM 348 C GLY A 52 -4.175 9.417 -14.869 1.00 57.90 C +ATOM 349 O GLY A 52 -3.633 10.031 -13.948 1.00 55.75 O +ATOM 350 N GLU A 53 -5.429 9.677 -15.297 1.00 45.78 N +ATOM 351 CA GLU A 53 -6.287 10.703 -14.714 1.00 51.66 C +ATOM 352 C GLU A 53 -6.610 10.392 -13.245 1.00 49.42 C +ATOM 353 O GLU A 53 -6.786 9.252 -12.822 1.00 49.53 O +ATOM 354 CB GLU A 53 -7.570 10.897 -15.528 1.00 52.37 C +ATOM 355 CG GLU A 53 -7.300 11.482 -16.933 1.00 48.90 C +ATOM 356 CD GLU A 53 -8.598 11.897 -17.657 1.00 46.34 C +ATOM 357 OE1 GLU A 53 -8.484 12.752 -18.566 1.00 44.76 O +ATOM 358 OE2 GLU A 53 -9.672 11.391 -17.280 1.00 45.50 O +ATOM 359 N GLN A 54 -6.668 11.460 -12.447 1.00 54.65 N +ATOM 360 CA GLN A 54 -7.060 11.380 -11.047 1.00 59.76 C +ATOM 361 C GLN A 54 -8.548 11.023 -10.955 1.00 56.56 C +ATOM 362 O GLN A 54 -9.389 11.703 -11.520 1.00 54.43 O +ATOM 363 CB GLN A 54 -6.716 12.721 -10.384 1.00 59.42 C +ATOM 364 CG GLN A 54 -7.042 12.774 -8.887 1.00 54.65 C +ATOM 365 CD GLN A 54 -6.609 14.079 -8.218 1.00 52.05 C +ATOM 366 OE1 GLN A 54 -5.839 14.870 -8.725 1.00 52.39 O +ATOM 367 NE2 GLN A 54 -7.065 14.335 -7.016 1.00 48.87 N +ATOM 368 N GLY A 55 -8.882 9.964 -10.212 1.00 53.47 N +ATOM 369 CA GLY A 55 -10.271 9.552 -10.011 1.00 55.25 C +ATOM 370 C GLY A 55 -11.155 10.659 -9.425 1.00 55.04 C +ATOM 371 O GLY A 55 -10.650 11.508 -8.673 1.00 53.26 O +ATOM 372 N PRO A 56 -12.476 10.677 -9.733 1.00 48.36 N +ATOM 373 CA PRO A 56 -13.372 11.749 -9.336 1.00 53.51 C +ATOM 374 C PRO A 56 -13.490 11.862 -7.807 1.00 51.34 C +ATOM 375 O PRO A 56 -13.560 10.866 -7.085 1.00 51.37 O +ATOM 376 CB PRO A 56 -14.710 11.456 -10.014 1.00 54.57 C +ATOM 377 CG PRO A 56 -14.680 9.942 -10.232 1.00 52.37 C +ATOM 378 CD PRO A 56 -13.199 9.670 -10.492 1.00 53.32 C +ATOM 379 N THR A 57 -13.532 13.107 -7.336 1.00 50.86 N +ATOM 380 CA THR A 57 -13.732 13.432 -5.918 1.00 53.81 C +ATOM 381 C THR A 57 -15.135 13.009 -5.476 1.00 50.59 C +ATOM 382 O THR A 57 -16.132 13.431 -6.061 1.00 49.83 O +ATOM 383 CB THR A 57 -13.529 14.939 -5.693 1.00 54.51 C +ATOM 384 OG1 THR A 57 -12.270 15.334 -6.193 1.00 51.20 O +ATOM 385 CG2 THR A 57 -13.566 15.334 -4.222 1.00 51.74 C +ATOM 386 N GLY A 58 -15.237 12.191 -4.426 1.00 46.46 N +ATOM 387 CA GLY A 58 -16.516 11.797 -3.836 1.00 47.65 C +ATOM 388 C GLY A 58 -17.294 12.988 -3.257 1.00 47.18 C +ATOM 389 O GLY A 58 -16.707 13.900 -2.677 1.00 45.88 O +ATOM 390 N LEU A 59 -18.634 12.971 -3.420 1.00 42.68 N +ATOM 391 CA LEU A 59 -19.538 14.012 -2.932 1.00 47.58 C +ATOM 392 C LEU A 59 -19.567 14.057 -1.393 1.00 44.91 C +ATOM 393 O LEU A 59 -19.602 13.032 -0.721 1.00 45.43 O +ATOM 394 CB LEU A 59 -20.948 13.790 -3.504 1.00 48.43 C +ATOM 395 CG LEU A 59 -21.088 14.062 -5.009 1.00 46.42 C +ATOM 396 CD1 LEU A 59 -22.441 13.551 -5.507 1.00 45.00 C +ATOM 397 CD2 LEU A 59 -20.994 15.548 -5.338 1.00 44.05 C +ATOM 398 N ALA A 60 -19.589 15.278 -0.843 1.00 48.11 N +ATOM 399 CA ALA A 60 -19.631 15.536 0.594 1.00 51.26 C +ATOM 400 C ALA A 60 -20.994 15.163 1.217 1.00 49.16 C +ATOM 401 O ALA A 60 -22.044 15.602 0.756 1.00 48.38 O +ATOM 402 CB ALA A 60 -19.296 17.010 0.819 1.00 50.43 C +ATOM 403 N GLY A 61 -20.967 14.436 2.323 1.00 41.15 N +ATOM 404 CA GLY A 61 -22.155 14.102 3.104 1.00 43.05 C +ATOM 405 C GLY A 61 -21.874 13.950 4.606 1.00 42.63 C +ATOM 406 O GLY A 61 -21.253 12.989 5.023 1.00 41.44 O +ATOM 407 N LYS A 62 -22.393 14.910 5.356 1.00 40.03 N +ATOM 408 CA LYS A 62 -22.742 14.999 6.798 1.00 44.26 C +ATOM 409 C LYS A 62 -21.811 14.408 7.884 1.00 41.73 C +ATOM 410 O LYS A 62 -21.457 13.252 7.903 1.00 42.55 O +ATOM 411 CB LYS A 62 -24.194 14.540 7.004 1.00 45.00 C +ATOM 412 CG LYS A 62 -25.183 15.467 6.278 1.00 42.50 C +ATOM 413 CD LYS A 62 -26.641 15.062 6.528 1.00 40.83 C +ATOM 414 CE LYS A 62 -27.575 16.034 5.782 1.00 38.66 C +ATOM 415 NZ LYS A 62 -28.999 15.682 5.961 1.00 35.92 N +ATOM 416 N ALA A 63 -21.546 15.267 8.880 1.00 46.50 N +ATOM 417 CA ALA A 63 -20.682 15.050 10.032 1.00 49.62 C +ATOM 418 C ALA A 63 -21.038 13.811 10.876 1.00 47.60 C +ATOM 419 O ALA A 63 -22.062 13.750 11.536 1.00 47.07 O +ATOM 420 CB ALA A 63 -20.726 16.341 10.874 1.00 49.30 C +ATOM 421 N GLY A 64 -20.109 12.888 10.865 1.00 44.68 N +ATOM 422 CA GLY A 64 -19.854 11.785 11.779 1.00 46.41 C +ATOM 423 C GLY A 64 -18.520 11.238 11.285 1.00 46.48 C +ATOM 424 O GLY A 64 -18.309 11.240 10.078 1.00 45.41 O +ATOM 425 N GLU A 65 -17.561 10.904 12.170 1.00 43.18 N +ATOM 426 CA GLU A 65 -16.192 10.581 11.744 1.00 46.20 C +ATOM 427 C GLU A 65 -16.184 9.589 10.575 1.00 44.54 C +ATOM 428 O GLU A 65 -16.772 8.503 10.644 1.00 45.01 O +ATOM 429 CB GLU A 65 -15.363 10.034 12.915 1.00 47.34 C +ATOM 430 CG GLU A 65 -15.030 11.128 13.941 1.00 44.32 C +ATOM 431 CD GLU A 65 -14.174 10.600 15.111 1.00 42.33 C +ATOM 432 OE1 GLU A 65 -13.441 11.426 15.694 1.00 41.84 O +ATOM 433 OE2 GLU A 65 -14.285 9.393 15.424 1.00 42.27 O +ATOM 434 N ALA A 66 -15.548 9.986 9.469 1.00 51.86 N +ATOM 435 CA ALA A 66 -15.479 9.192 8.255 1.00 53.22 C +ATOM 436 C ALA A 66 -14.798 7.839 8.550 1.00 52.47 C +ATOM 437 O ALA A 66 -13.723 7.793 9.140 1.00 51.07 O +ATOM 438 CB ALA A 66 -14.739 9.994 7.181 1.00 52.29 C +ATOM 439 N GLY A 67 -15.445 6.753 8.124 1.00 52.45 N +ATOM 440 CA GLY A 67 -14.812 5.431 8.118 1.00 54.12 C +ATOM 441 C GLY A 67 -13.505 5.466 7.321 1.00 54.47 C +ATOM 442 O GLY A 67 -13.353 6.263 6.399 1.00 52.83 O +ATOM 443 N ALA A 68 -12.566 4.590 7.693 1.00 56.58 N +ATOM 444 CA ALA A 68 -11.280 4.491 7.022 1.00 59.61 C +ATOM 445 C ALA A 68 -11.469 4.345 5.498 1.00 58.88 C +ATOM 446 O ALA A 68 -12.345 3.617 5.032 1.00 57.34 O +ATOM 447 CB ALA A 68 -10.496 3.313 7.617 1.00 58.23 C +ATOM 448 N LYS A 69 -10.647 5.076 4.723 1.00 62.44 N +ATOM 449 CA LYS A 69 -10.616 4.992 3.259 1.00 66.81 C +ATOM 450 C LYS A 69 -10.375 3.539 2.851 1.00 66.23 C +ATOM 451 O LYS A 69 -9.440 2.921 3.345 1.00 64.29 O +ATOM 452 CB LYS A 69 -9.514 5.936 2.749 1.00 63.86 C +ATOM 453 CG LYS A 69 -9.423 6.003 1.227 1.00 58.70 C +ATOM 454 CD LYS A 69 -8.308 6.967 0.805 1.00 58.86 C +ATOM 455 CE LYS A 69 -8.168 7.000 -0.713 1.00 56.40 C +ATOM 456 NZ LYS A 69 -7.009 7.816 -1.140 1.00 51.14 N +ATOM 457 N GLY A 70 -11.228 3.000 1.972 1.00 58.19 N +ATOM 458 CA GLY A 70 -11.043 1.651 1.433 1.00 59.52 C +ATOM 459 C GLY A 70 -9.696 1.512 0.712 1.00 60.78 C +ATOM 460 O GLY A 70 -9.202 2.485 0.135 1.00 58.80 O +ATOM 461 N GLU A 71 -9.119 0.311 0.771 1.00 58.35 N +ATOM 462 CA GLU A 71 -7.850 0.003 0.118 1.00 63.52 C +ATOM 463 C GLU A 71 -7.936 0.260 -1.394 1.00 61.87 C +ATOM 464 O GLU A 71 -8.948 0.005 -2.043 1.00 60.63 O +ATOM 465 CB GLU A 71 -7.440 -1.449 0.386 1.00 62.30 C +ATOM 466 CG GLU A 71 -7.118 -1.703 1.873 1.00 58.92 C +ATOM 467 CD GLU A 71 -6.723 -3.163 2.167 1.00 56.09 C +ATOM 468 OE1 GLU A 71 -6.301 -3.412 3.314 1.00 54.00 O +ATOM 469 OE2 GLU A 71 -6.898 -4.014 1.270 1.00 52.44 O +ATOM 470 N THR A 72 -6.849 0.793 -1.956 1.00 67.89 N +ATOM 471 CA THR A 72 -6.723 0.989 -3.403 1.00 69.40 C +ATOM 472 C THR A 72 -6.689 -0.386 -4.078 1.00 68.20 C +ATOM 473 O THR A 72 -5.894 -1.232 -3.698 1.00 65.43 O +ATOM 474 CB THR A 72 -5.463 1.795 -3.736 1.00 67.73 C +ATOM 475 OG1 THR A 72 -5.503 3.039 -3.058 1.00 63.78 O +ATOM 476 CG2 THR A 72 -5.330 2.122 -5.219 1.00 63.20 C +ATOM 477 N GLY A 73 -7.544 -0.597 -5.084 1.00 59.19 N +ATOM 478 CA GLY A 73 -7.563 -1.861 -5.830 1.00 59.83 C +ATOM 479 C GLY A 73 -6.207 -2.179 -6.483 1.00 60.12 C +ATOM 480 O GLY A 73 -5.447 -1.258 -6.805 1.00 58.90 O +ATOM 481 N PRO A 74 -5.891 -3.473 -6.707 1.00 61.59 N +ATOM 482 CA PRO A 74 -4.639 -3.885 -7.327 1.00 64.94 C +ATOM 483 C PRO A 74 -4.505 -3.326 -8.748 1.00 62.98 C +ATOM 484 O PRO A 74 -5.486 -3.166 -9.466 1.00 61.33 O +ATOM 485 CB PRO A 74 -4.640 -5.419 -7.301 1.00 64.41 C +ATOM 486 CG PRO A 74 -6.129 -5.763 -7.276 1.00 62.50 C +ATOM 487 CD PRO A 74 -6.736 -4.626 -6.451 1.00 63.55 C +ATOM 488 N ALA A 75 -3.249 -3.057 -9.170 1.00 65.18 N +ATOM 489 CA ALA A 75 -2.954 -2.638 -10.541 1.00 68.40 C +ATOM 490 C ALA A 75 -3.399 -3.720 -11.550 1.00 67.39 C +ATOM 491 O ALA A 75 -3.283 -4.914 -11.286 1.00 63.74 O +ATOM 492 CB ALA A 75 -1.458 -2.319 -10.663 1.00 66.48 C +ATOM 493 N GLY A 76 -3.910 -3.273 -12.705 1.00 57.97 N +ATOM 494 CA GLY A 76 -4.323 -4.182 -13.776 1.00 59.18 C +ATOM 495 C GLY A 76 -3.153 -5.026 -14.311 1.00 60.21 C +ATOM 496 O GLY A 76 -2.001 -4.611 -14.216 1.00 58.97 O +ATOM 497 N PRO A 77 -3.439 -6.214 -14.892 1.00 61.78 N +ATOM 498 CA PRO A 77 -2.413 -7.102 -15.419 1.00 65.46 C +ATOM 499 C PRO A 77 -1.650 -6.462 -16.591 1.00 63.88 C +ATOM 500 O PRO A 77 -2.221 -5.724 -17.396 1.00 61.84 O +ATOM 501 CB PRO A 77 -3.142 -8.384 -15.838 1.00 64.27 C +ATOM 502 CG PRO A 77 -4.557 -7.901 -16.149 1.00 61.64 C +ATOM 503 CD PRO A 77 -4.761 -6.773 -15.132 1.00 62.09 C +ATOM 504 N GLN A 78 -0.350 -6.795 -16.712 1.00 61.43 N +ATOM 505 CA GLN A 78 0.509 -6.367 -17.816 1.00 66.21 C +ATOM 506 C GLN A 78 -0.011 -6.904 -19.165 1.00 64.45 C +ATOM 507 O GLN A 78 -0.467 -8.041 -19.253 1.00 61.28 O +ATOM 508 CB GLN A 78 1.944 -6.820 -17.510 1.00 64.94 C +ATOM 509 CG GLN A 78 2.990 -6.386 -18.546 1.00 62.60 C +ATOM 510 CD GLN A 78 4.410 -6.783 -18.147 1.00 60.37 C +ATOM 511 OE1 GLN A 78 4.701 -7.096 -17.017 1.00 60.57 O +ATOM 512 NE2 GLN A 78 5.358 -6.773 -19.065 1.00 56.46 N +ATOM 513 N GLY A 79 0.055 -6.066 -20.210 1.00 58.16 N +ATOM 514 CA GLY A 79 -0.344 -6.452 -21.568 1.00 59.15 C +ATOM 515 C GLY A 79 0.496 -7.606 -22.137 1.00 61.04 C +ATOM 516 O GLY A 79 1.637 -7.808 -21.715 1.00 59.58 O +ATOM 517 N PRO A 80 -0.044 -8.377 -23.124 1.00 61.57 N +ATOM 518 CA PRO A 80 0.651 -9.511 -23.710 1.00 64.75 C +ATOM 519 C PRO A 80 1.923 -9.082 -24.447 1.00 63.68 C +ATOM 520 O PRO A 80 1.999 -8.004 -25.039 1.00 61.95 O +ATOM 521 CB PRO A 80 -0.358 -10.183 -24.642 1.00 63.54 C +ATOM 522 CG PRO A 80 -1.289 -9.043 -25.038 1.00 60.15 C +ATOM 523 CD PRO A 80 -1.333 -8.182 -23.768 1.00 60.35 C +ATOM 524 N ARG A 81 2.932 -9.986 -24.460 1.00 60.48 N +ATOM 525 CA ARG A 81 4.201 -9.808 -25.179 1.00 66.18 C +ATOM 526 C ARG A 81 3.953 -9.682 -26.688 1.00 64.49 C +ATOM 527 O ARG A 81 3.209 -10.469 -27.247 1.00 60.79 O +ATOM 528 CB ARG A 81 5.102 -11.007 -24.845 1.00 64.03 C +ATOM 529 CG ARG A 81 6.465 -10.940 -25.529 1.00 60.60 C +ATOM 530 CD ARG A 81 7.322 -12.124 -25.081 1.00 59.61 C +ATOM 531 NE ARG A 81 8.604 -12.138 -25.755 1.00 58.02 N +ATOM 532 CZ ARG A 81 9.562 -13.031 -25.569 1.00 52.63 C +ATOM 533 NH1 ARG A 81 9.430 -14.009 -24.718 1.00 52.97 N +ATOM 534 NH2 ARG A 81 10.674 -12.951 -26.249 1.00 52.34 N +ATOM 535 N GLY A 82 4.632 -8.715 -27.337 1.00 56.65 N +ATOM 536 CA GLY A 82 4.576 -8.563 -28.792 1.00 57.59 C +ATOM 537 C GLY A 82 5.101 -9.794 -29.542 1.00 59.71 C +ATOM 538 O GLY A 82 6.032 -10.461 -29.082 1.00 57.67 O +ATOM 539 N GLU A 83 4.506 -10.093 -30.703 1.00 55.98 N +ATOM 540 CA GLU A 83 4.913 -11.231 -31.540 1.00 62.57 C +ATOM 541 C GLU A 83 6.341 -11.056 -32.081 1.00 60.54 C +ATOM 542 O GLU A 83 6.799 -9.956 -32.396 1.00 58.55 O +ATOM 543 CB GLU A 83 3.922 -11.466 -32.687 1.00 60.95 C +ATOM 544 CG GLU A 83 2.527 -11.898 -32.191 1.00 56.44 C +ATOM 545 CD GLU A 83 1.579 -12.308 -33.336 1.00 53.27 C +ATOM 546 OE1 GLU A 83 0.585 -13.001 -33.020 1.00 50.74 O +ATOM 547 OE2 GLU A 83 1.850 -11.935 -34.494 1.00 50.07 O +ATOM 548 N GLN A 84 7.064 -12.183 -32.195 1.00 59.05 N +ATOM 549 CA GLN A 84 8.402 -12.203 -32.780 1.00 63.16 C +ATOM 550 C GLN A 84 8.323 -11.881 -34.278 1.00 61.27 C +ATOM 551 O GLN A 84 7.531 -12.471 -34.998 1.00 58.21 O +ATOM 552 CB GLN A 84 9.042 -13.576 -32.503 1.00 62.23 C +ATOM 553 CG GLN A 84 10.479 -13.686 -33.026 1.00 59.97 C +ATOM 554 CD GLN A 84 11.144 -15.018 -32.681 1.00 57.90 C +ATOM 555 OE1 GLN A 84 10.692 -15.808 -31.869 1.00 58.90 O +ATOM 556 NE2 GLN A 84 12.274 -15.316 -33.281 1.00 55.74 N +ATOM 557 N GLY A 85 9.170 -10.952 -34.751 1.00 55.38 N +ATOM 558 CA GLY A 85 9.235 -10.610 -36.172 1.00 57.06 C +ATOM 559 C GLY A 85 9.577 -11.830 -37.052 1.00 58.80 C +ATOM 560 O GLY A 85 10.304 -12.723 -36.602 1.00 56.75 O +ATOM 561 N PRO A 86 9.087 -11.865 -38.317 1.00 55.88 N +ATOM 562 CA PRO A 86 9.328 -12.990 -39.207 1.00 59.87 C +ATOM 563 C PRO A 86 10.820 -13.147 -39.515 1.00 58.69 C +ATOM 564 O PRO A 86 11.567 -12.177 -39.644 1.00 56.75 O +ATOM 565 CB PRO A 86 8.503 -12.704 -40.466 1.00 59.45 C +ATOM 566 CG PRO A 86 8.381 -11.183 -40.478 1.00 56.19 C +ATOM 567 CD PRO A 86 8.317 -10.833 -38.986 1.00 56.42 C +ATOM 568 N GLN A 87 11.261 -14.421 -39.690 1.00 55.01 N +ATOM 569 CA GLN A 87 12.625 -14.739 -40.107 1.00 60.61 C +ATOM 570 C GLN A 87 12.875 -14.219 -41.531 1.00 58.48 C +ATOM 571 O GLN A 87 12.035 -14.387 -42.415 1.00 56.02 O +ATOM 572 CB GLN A 87 12.825 -16.261 -39.987 1.00 60.68 C +ATOM 573 CG GLN A 87 14.255 -16.708 -40.317 1.00 57.85 C +ATOM 574 CD GLN A 87 14.480 -18.207 -40.096 1.00 55.90 C +ATOM 575 OE1 GLN A 87 13.675 -18.933 -39.556 1.00 55.82 O +ATOM 576 NE2 GLN A 87 15.623 -18.725 -40.503 1.00 51.89 N +ATOM 577 N GLY A 88 14.042 -13.578 -41.758 1.00 52.71 N +ATOM 578 CA GLY A 88 14.438 -13.118 -43.089 1.00 55.00 C +ATOM 579 C GLY A 88 14.504 -14.267 -44.103 1.00 56.62 C +ATOM 580 O GLY A 88 14.889 -15.381 -43.757 1.00 53.82 O +ATOM 581 N LEU A 89 14.112 -13.969 -45.362 1.00 51.70 N +ATOM 582 CA LEU A 89 14.156 -14.963 -46.438 1.00 57.08 C +ATOM 583 C LEU A 89 15.613 -15.322 -46.789 1.00 55.84 C +ATOM 584 O LEU A 89 16.486 -14.450 -46.727 1.00 54.75 O +ATOM 585 CB LEU A 89 13.407 -14.440 -47.677 1.00 56.23 C +ATOM 586 CG LEU A 89 11.888 -14.236 -47.478 1.00 53.51 C +ATOM 587 CD1 LEU A 89 11.290 -13.589 -48.726 1.00 52.35 C +ATOM 588 CD2 LEU A 89 11.154 -15.552 -47.222 1.00 50.54 C +ATOM 589 N PRO A 90 15.897 -16.579 -47.213 1.00 56.31 N +ATOM 590 CA PRO A 90 17.196 -16.955 -47.751 1.00 60.44 C +ATOM 591 C PRO A 90 17.588 -16.079 -48.952 1.00 58.07 C +ATOM 592 O PRO A 90 16.735 -15.714 -49.761 1.00 57.16 O +ATOM 593 CB PRO A 90 17.082 -18.430 -48.158 1.00 61.45 C +ATOM 594 CG PRO A 90 15.916 -18.955 -47.321 1.00 58.07 C +ATOM 595 CD PRO A 90 15.007 -17.741 -47.190 1.00 59.41 C +ATOM 596 N GLY A 91 18.893 -15.753 -49.082 1.00 54.80 N +ATOM 597 CA GLY A 91 19.421 -15.090 -50.273 1.00 56.20 C +ATOM 598 C GLY A 91 19.189 -15.926 -51.533 1.00 57.75 C +ATOM 599 O GLY A 91 19.151 -17.152 -51.461 1.00 55.63 O +ATOM 600 N LYS A 92 19.006 -15.250 -52.692 1.00 53.35 N +ATOM 601 CA LYS A 92 18.846 -15.950 -53.975 1.00 60.40 C +ATOM 602 C LYS A 92 20.172 -16.609 -54.380 1.00 59.28 C +ATOM 603 O LYS A 92 21.233 -16.018 -54.184 1.00 59.42 O +ATOM 604 CB LYS A 92 18.372 -14.985 -55.077 1.00 58.73 C +ATOM 605 CG LYS A 92 16.959 -14.432 -54.818 1.00 55.12 C +ATOM 606 CD LYS A 92 16.543 -13.514 -55.972 1.00 53.81 C +ATOM 607 CE LYS A 92 15.153 -12.926 -55.726 1.00 51.30 C +ATOM 608 NZ LYS A 92 14.771 -11.991 -56.816 1.00 45.54 N +ATOM 609 N ASP A 93 20.102 -17.798 -54.987 1.00 56.10 N +ATOM 610 CA ASP A 93 21.265 -18.448 -55.577 1.00 61.69 C +ATOM 611 C ASP A 93 21.848 -17.563 -56.697 1.00 59.32 C +ATOM 612 O ASP A 93 21.116 -16.907 -57.442 1.00 55.91 O +ATOM 613 CB ASP A 93 20.891 -19.842 -56.102 1.00 59.14 C +ATOM 614 CG ASP A 93 20.502 -20.824 -54.996 1.00 55.98 C +ATOM 615 OD1 ASP A 93 21.027 -20.676 -53.862 1.00 54.55 O +ATOM 616 OD2 ASP A 93 19.682 -21.723 -55.282 1.00 51.27 O +ATOM 617 N GLY A 94 23.201 -17.537 -56.803 1.00 55.86 N +ATOM 618 CA GLY A 94 23.882 -16.815 -57.874 1.00 56.98 C +ATOM 619 C GLY A 94 23.526 -17.379 -59.255 1.00 58.52 C +ATOM 620 O GLY A 94 23.356 -18.586 -59.410 1.00 55.85 O +ATOM 621 N GLU A 95 23.428 -16.484 -60.260 1.00 46.98 N +ATOM 622 CA GLU A 95 23.168 -16.908 -61.640 1.00 52.52 C +ATOM 623 C GLU A 95 24.326 -17.768 -62.179 1.00 49.91 C +ATOM 624 O GLU A 95 25.500 -17.509 -61.920 1.00 50.06 O +ATOM 625 CB GLU A 95 22.895 -15.701 -62.558 1.00 53.38 C +ATOM 626 CG GLU A 95 21.567 -14.988 -62.199 1.00 49.60 C +ATOM 627 CD GLU A 95 21.199 -13.849 -63.170 1.00 47.07 C +ATOM 628 OE1 GLU A 95 20.005 -13.465 -63.167 1.00 45.75 O +ATOM 629 OE2 GLU A 95 22.092 -13.363 -63.893 1.00 45.88 O +ATOM 630 N ALA A 96 24.005 -18.804 -62.953 1.00 56.98 N +ATOM 631 CA ALA A 96 25.008 -19.622 -63.624 1.00 61.34 C +ATOM 632 C ALA A 96 25.799 -18.775 -64.640 1.00 59.88 C +ATOM 633 O ALA A 96 25.227 -17.987 -65.387 1.00 56.44 O +ATOM 634 CB ALA A 96 24.322 -20.819 -64.288 1.00 58.66 C +ATOM 635 N GLY A 97 27.140 -18.967 -64.681 1.00 51.38 N +ATOM 636 CA GLY A 97 27.999 -18.273 -65.637 1.00 53.03 C +ATOM 637 C GLY A 97 27.584 -18.556 -67.081 1.00 52.18 C +ATOM 638 O GLY A 97 27.209 -19.676 -67.423 1.00 50.49 O +ATOM 639 N ALA A 98 27.676 -17.528 -67.950 1.00 46.01 N +ATOM 640 CA ALA A 98 27.361 -17.664 -69.366 1.00 50.79 C +ATOM 641 C ALA A 98 28.307 -18.672 -70.050 1.00 48.91 C +ATOM 642 O ALA A 98 29.507 -18.708 -69.786 1.00 48.80 O +ATOM 643 CB ALA A 98 27.403 -16.282 -70.028 1.00 50.34 C +ATOM 644 N GLN A 99 27.758 -19.464 -70.969 1.00 48.14 N +ATOM 645 CA GLN A 99 28.559 -20.368 -71.789 1.00 53.44 C +ATOM 646 C GLN A 99 29.516 -19.558 -72.681 1.00 51.46 C +ATOM 647 O GLN A 99 29.100 -18.602 -73.328 1.00 50.44 O +ATOM 648 CB GLN A 99 27.609 -21.266 -72.602 1.00 53.06 C +ATOM 649 CG GLN A 99 28.347 -22.320 -73.437 1.00 47.89 C +ATOM 650 CD GLN A 99 27.407 -23.279 -74.167 1.00 45.10 C +ATOM 651 OE1 GLN A 99 26.207 -23.317 -73.983 1.00 44.47 O +ATOM 652 NE2 GLN A 99 27.930 -24.122 -75.031 1.00 42.24 N +ATOM 653 N GLY A 100 30.790 -19.928 -72.678 1.00 48.37 N +ATOM 654 CA GLY A 100 31.786 -19.274 -73.525 1.00 50.45 C +ATOM 655 C GLY A 100 31.398 -19.299 -75.008 1.00 49.73 C +ATOM 656 O GLY A 100 30.733 -20.241 -75.450 1.00 48.98 O +ATOM 657 N PRO A 101 31.817 -18.271 -75.820 1.00 43.97 N +ATOM 658 CA PRO A 101 31.510 -18.215 -77.238 1.00 47.10 C +ATOM 659 C PRO A 101 32.116 -19.409 -77.979 1.00 44.46 C +ATOM 660 O PRO A 101 33.217 -19.873 -77.652 1.00 45.25 O +ATOM 661 CB PRO A 101 32.059 -16.866 -77.732 1.00 48.42 C +ATOM 662 CG PRO A 101 33.179 -16.562 -76.739 1.00 47.53 C +ATOM 663 CD PRO A 101 32.666 -17.152 -75.423 1.00 49.04 C +ATOM 664 N ALA A 102 31.421 -19.889 -78.986 1.00 47.09 N +ATOM 665 CA ALA A 102 31.958 -20.934 -79.856 1.00 48.83 C +ATOM 666 C ALA A 102 33.230 -20.416 -80.557 1.00 46.98 C +ATOM 667 O ALA A 102 33.252 -19.308 -81.078 1.00 46.07 O +ATOM 668 CB ALA A 102 30.881 -21.359 -80.860 1.00 47.10 C +ATOM 669 N GLY A 103 34.272 -21.236 -80.553 1.00 43.16 N +ATOM 670 CA GLY A 103 35.526 -20.909 -81.229 1.00 45.07 C +ATOM 671 C GLY A 103 35.326 -20.679 -82.734 1.00 44.32 C +ATOM 672 O GLY A 103 34.422 -21.265 -83.332 1.00 43.55 O +ATOM 673 N PRO A 104 36.177 -19.816 -83.374 1.00 39.63 N +ATOM 674 CA PRO A 104 36.076 -19.554 -84.796 1.00 42.44 C +ATOM 675 C PRO A 104 36.292 -20.845 -85.591 1.00 40.59 C +ATOM 676 O PRO A 104 37.183 -21.640 -85.302 1.00 40.71 O +ATOM 677 CB PRO A 104 37.135 -18.478 -85.097 1.00 43.38 C +ATOM 678 CG PRO A 104 38.160 -18.668 -83.983 1.00 42.77 C +ATOM 679 CD PRO A 104 37.313 -19.118 -82.798 1.00 44.73 C +ATOM 680 N MET A 105 35.478 -21.023 -86.619 1.00 39.54 N +ATOM 681 CA MET A 105 35.585 -22.182 -87.506 1.00 41.38 C +ATOM 682 C MET A 105 36.811 -22.002 -88.404 1.00 41.68 C +ATOM 683 O MET A 105 36.809 -21.185 -89.318 1.00 41.49 O +ATOM 684 CB MET A 105 34.258 -22.329 -88.271 1.00 40.24 C +ATOM 685 CG MET A 105 34.090 -23.711 -88.906 1.00 35.65 C +ATOM 686 SD MET A 105 32.370 -24.098 -89.367 1.00 32.57 S +ATOM 687 CE MET A 105 32.075 -22.876 -90.656 1.00 29.74 C +ATOM 688 N SER A 106 37.888 -22.744 -88.107 1.00 34.79 N +ATOM 689 CA SER A 106 39.103 -22.740 -88.921 1.00 36.81 C +ATOM 690 C SER A 106 38.887 -23.538 -90.220 1.00 35.94 C +ATOM 691 O SER A 106 38.152 -24.526 -90.206 1.00 35.10 O +ATOM 692 CB SER A 106 40.281 -23.307 -88.133 1.00 36.79 C +ATOM 693 OG SER A 106 40.545 -22.487 -87.015 1.00 33.95 O +ATOM 694 N PRO A 107 39.517 -23.104 -91.352 1.00 36.96 N +ATOM 695 CA PRO A 107 39.480 -23.893 -92.574 1.00 40.09 C +ATOM 696 C PRO A 107 40.121 -25.276 -92.340 1.00 38.19 C +ATOM 697 O PRO A 107 41.067 -25.406 -91.566 1.00 38.17 O +ATOM 698 CB PRO A 107 40.200 -23.057 -93.638 1.00 41.11 C +ATOM 699 CG PRO A 107 41.131 -22.160 -92.828 1.00 41.10 C +ATOM 700 CD PRO A 107 40.383 -21.945 -91.517 1.00 43.27 C +ATOM 701 N ALA A 108 39.596 -26.291 -93.000 1.00 40.89 N +ATOM 702 CA ALA A 108 39.883 -27.697 -92.761 1.00 43.82 C +ATOM 703 C ALA A 108 41.395 -28.005 -92.658 1.00 43.19 C +ATOM 704 O ALA A 108 42.127 -27.827 -93.619 1.00 42.78 O +ATOM 705 CB ALA A 108 39.250 -28.491 -93.905 1.00 42.57 C +ATOM 706 N GLY A 109 41.822 -28.522 -91.489 1.00 40.28 N +ATOM 707 CA GLY A 109 43.194 -28.970 -91.302 1.00 43.13 C +ATOM 708 C GLY A 109 43.572 -29.406 -89.895 1.00 42.77 C +ATOM 709 O GLY A 109 44.221 -30.434 -89.755 1.00 41.56 O +ATOM 710 N GLU A 110 43.153 -28.711 -88.883 1.00 34.83 N +ATOM 711 CA GLU A 110 43.487 -29.100 -87.513 1.00 38.20 C +ATOM 712 C GLU A 110 42.269 -28.963 -86.597 1.00 37.31 C +ATOM 713 O GLU A 110 41.442 -28.066 -86.730 1.00 37.34 O +ATOM 714 CB GLU A 110 44.708 -28.312 -86.982 1.00 38.67 C +ATOM 715 CG GLU A 110 45.998 -28.757 -87.697 1.00 35.55 C +ATOM 716 CD GLU A 110 47.289 -28.142 -87.130 1.00 32.88 C +ATOM 717 OE1 GLU A 110 48.364 -28.702 -87.457 1.00 30.94 O +ATOM 718 OE2 GLU A 110 47.191 -27.121 -86.411 1.00 33.08 O +ATOM 719 N ARG A 111 42.146 -29.915 -85.717 1.00 37.49 N +ATOM 720 CA ARG A 111 41.071 -29.917 -84.723 1.00 39.76 C +ATOM 721 C ARG A 111 41.266 -28.715 -83.807 1.00 38.08 C +ATOM 722 O ARG A 111 42.222 -28.689 -83.054 1.00 39.46 O +ATOM 723 CB ARG A 111 41.091 -31.244 -83.952 1.00 41.35 C +ATOM 724 CG ARG A 111 39.936 -31.383 -82.964 1.00 37.17 C +ATOM 725 CD ARG A 111 40.032 -32.737 -82.257 1.00 36.85 C +ATOM 726 NE ARG A 111 38.880 -33.008 -81.379 1.00 34.79 N +ATOM 727 CZ ARG A 111 38.697 -34.085 -80.643 1.00 34.21 C +ATOM 728 NH1 ARG A 111 39.582 -35.042 -80.597 1.00 34.71 N +ATOM 729 NH2 ARG A 111 37.616 -34.222 -79.929 1.00 33.45 N +ATOM 730 N GLY A 112 40.383 -27.747 -83.885 1.00 45.37 N +ATOM 731 CA GLY A 112 40.442 -26.562 -83.049 1.00 47.26 C +ATOM 732 C GLY A 112 40.552 -26.923 -81.568 1.00 46.80 C +ATOM 733 O GLY A 112 39.937 -27.890 -81.109 1.00 45.29 O +ATOM 734 N GLU A 113 41.385 -26.153 -80.872 1.00 41.32 N +ATOM 735 CA GLU A 113 41.551 -26.328 -79.431 1.00 45.14 C +ATOM 736 C GLU A 113 40.210 -26.178 -78.720 1.00 43.98 C +ATOM 737 O GLU A 113 39.333 -25.393 -79.099 1.00 44.41 O +ATOM 738 CB GLU A 113 42.600 -25.350 -78.863 1.00 45.43 C +ATOM 739 CG GLU A 113 44.014 -25.659 -79.391 1.00 42.13 C +ATOM 740 CD GLU A 113 45.113 -24.847 -78.694 1.00 39.76 C +ATOM 741 OE1 GLU A 113 46.269 -25.342 -78.688 1.00 38.39 O +ATOM 742 OE2 GLU A 113 44.795 -23.756 -78.172 1.00 38.66 O +ATOM 743 N LYS A 114 40.039 -27.014 -77.736 1.00 50.84 N +ATOM 744 CA LYS A 114 38.829 -26.955 -76.914 1.00 54.19 C +ATOM 745 C LYS A 114 38.754 -25.570 -76.265 1.00 52.06 C +ATOM 746 O LYS A 114 39.697 -25.172 -75.597 1.00 52.14 O +ATOM 747 CB LYS A 114 38.880 -28.084 -75.881 1.00 53.79 C +ATOM 748 CG LYS A 114 37.617 -28.163 -75.019 1.00 47.62 C +ATOM 749 CD LYS A 114 37.723 -29.301 -73.999 1.00 47.05 C +ATOM 750 CE LYS A 114 36.474 -29.335 -73.118 1.00 45.29 C +ATOM 751 NZ LYS A 114 36.583 -30.340 -72.036 1.00 41.61 N +ATOM 752 N GLY A 115 37.659 -24.858 -76.445 1.00 50.05 N +ATOM 753 CA GLY A 115 37.443 -23.551 -75.815 1.00 51.62 C +ATOM 754 C GLY A 115 37.678 -23.618 -74.300 1.00 52.19 C +ATOM 755 O GLY A 115 37.370 -24.632 -73.669 1.00 50.00 O +ATOM 756 N GLU A 116 38.265 -22.538 -73.770 1.00 41.64 N +ATOM 757 CA GLU A 116 38.541 -22.448 -72.338 1.00 46.66 C +ATOM 758 C GLU A 116 37.246 -22.576 -71.520 1.00 45.58 C +ATOM 759 O GLU A 116 36.188 -22.089 -71.931 1.00 46.57 O +ATOM 760 CB GLU A 116 39.264 -21.136 -71.979 1.00 47.46 C +ATOM 761 CG GLU A 116 40.690 -21.068 -72.547 1.00 44.26 C +ATOM 762 CD GLU A 116 41.489 -19.852 -72.031 1.00 41.70 C +ATOM 763 OE1 GLU A 116 42.737 -19.938 -72.041 1.00 40.60 O +ATOM 764 OE2 GLU A 116 40.847 -18.859 -71.617 1.00 41.60 O +ATOM 765 N PRO A 117 37.326 -23.237 -70.397 1.00 54.55 N +ATOM 766 CA PRO A 117 36.191 -23.276 -69.483 1.00 56.97 C +ATOM 767 C PRO A 117 35.736 -21.862 -69.120 1.00 53.69 C +ATOM 768 O PRO A 117 36.559 -20.993 -68.841 1.00 53.57 O +ATOM 769 CB PRO A 117 36.666 -24.044 -68.244 1.00 58.23 C +ATOM 770 CG PRO A 117 37.838 -24.872 -68.752 1.00 54.88 C +ATOM 771 CD PRO A 117 38.446 -23.997 -69.836 1.00 57.67 C +ATOM 772 N GLY A 118 34.450 -21.638 -69.125 1.00 52.97 N +ATOM 773 CA GLY A 118 33.891 -20.368 -68.677 1.00 55.33 C +ATOM 774 C GLY A 118 34.358 -20.025 -67.255 1.00 56.98 C +ATOM 775 O GLY A 118 34.527 -20.899 -66.412 1.00 54.54 O +ATOM 776 N THR A 119 34.586 -18.727 -67.009 1.00 46.82 N +ATOM 777 CA THR A 119 35.008 -18.255 -65.682 1.00 51.42 C +ATOM 778 C THR A 119 33.923 -18.556 -64.646 1.00 49.44 C +ATOM 779 O THR A 119 32.732 -18.409 -64.907 1.00 49.49 O +ATOM 780 CB THR A 119 35.344 -16.758 -65.691 1.00 52.32 C +ATOM 781 OG1 THR A 119 34.280 -16.015 -66.234 1.00 50.10 O +ATOM 782 CG2 THR A 119 36.577 -16.463 -66.533 1.00 50.46 C +ATOM 783 N GLN A 120 34.383 -18.969 -63.503 1.00 52.93 N +ATOM 784 CA GLN A 120 33.469 -19.209 -62.388 1.00 57.98 C +ATOM 785 C GLN A 120 32.696 -17.924 -62.052 1.00 53.64 C +ATOM 786 O GLN A 120 33.287 -16.849 -61.940 1.00 52.26 O +ATOM 787 CB GLN A 120 34.284 -19.739 -61.194 1.00 58.05 C +ATOM 788 CG GLN A 120 33.398 -20.118 -59.990 1.00 54.77 C +ATOM 789 CD GLN A 120 34.185 -20.751 -58.841 1.00 51.77 C +ATOM 790 OE1 GLN A 120 35.373 -21.002 -58.886 1.00 52.20 O +ATOM 791 NE2 GLN A 120 33.532 -21.039 -57.736 1.00 49.08 N +ATOM 792 N GLY A 121 31.388 -18.024 -61.890 1.00 53.99 N +ATOM 793 CA GLY A 121 30.546 -16.895 -61.491 1.00 56.28 C +ATOM 794 C GLY A 121 31.024 -16.259 -60.188 1.00 57.78 C +ATOM 795 O GLY A 121 31.554 -16.940 -59.307 1.00 55.23 O +ATOM 796 N ALA A 122 30.861 -14.938 -60.085 1.00 50.86 N +ATOM 797 CA ALA A 122 31.240 -14.206 -58.884 1.00 55.62 C +ATOM 798 C ALA A 122 30.497 -14.756 -57.658 1.00 54.15 C +ATOM 799 O ALA A 122 29.323 -15.125 -57.723 1.00 53.39 O +ATOM 800 CB ALA A 122 30.969 -12.709 -59.097 1.00 54.98 C +ATOM 801 N LYS A 123 31.210 -14.811 -56.541 1.00 57.92 N +ATOM 802 CA LYS A 123 30.622 -15.214 -55.257 1.00 63.43 C +ATOM 803 C LYS A 123 29.494 -14.246 -54.886 1.00 61.10 C +ATOM 804 O LYS A 123 29.688 -13.038 -54.970 1.00 60.27 O +ATOM 805 CB LYS A 123 31.737 -15.255 -54.207 1.00 61.67 C +ATOM 806 CG LYS A 123 31.242 -15.797 -52.858 1.00 57.02 C +ATOM 807 CD LYS A 123 32.414 -15.894 -51.874 1.00 57.51 C +ATOM 808 CE LYS A 123 31.911 -16.451 -50.548 1.00 56.37 C +ATOM 809 NZ LYS A 123 33.009 -16.570 -49.566 1.00 51.07 N +ATOM 810 N GLY A 124 28.377 -14.762 -54.475 1.00 54.28 N +ATOM 811 CA GLY A 124 27.248 -13.939 -54.036 1.00 56.06 C +ATOM 812 C GLY A 124 27.613 -13.005 -52.884 1.00 58.53 C +ATOM 813 O GLY A 124 28.498 -13.313 -52.076 1.00 55.73 O +ATOM 814 N ASP A 125 26.950 -11.856 -52.841 1.00 50.48 N +ATOM 815 CA ASP A 125 27.164 -10.864 -51.791 1.00 55.01 C +ATOM 816 C ASP A 125 26.885 -11.444 -50.403 1.00 53.70 C +ATOM 817 O ASP A 125 26.039 -12.317 -50.197 1.00 53.10 O +ATOM 818 CB ASP A 125 26.298 -9.615 -52.041 1.00 54.34 C +ATOM 819 CG ASP A 125 26.738 -8.815 -53.273 1.00 52.49 C +ATOM 820 OD1 ASP A 125 27.969 -8.708 -53.481 1.00 51.03 O +ATOM 821 OD2 ASP A 125 25.839 -8.308 -53.965 1.00 48.73 O +ATOM 822 N ARG A 126 27.629 -10.936 -49.414 1.00 55.34 N +ATOM 823 CA ARG A 126 27.437 -11.334 -48.018 1.00 59.40 C +ATOM 824 C ARG A 126 26.035 -10.950 -47.561 1.00 57.24 C +ATOM 825 O ARG A 126 25.641 -9.790 -47.695 1.00 55.94 O +ATOM 826 CB ARG A 126 28.511 -10.657 -47.162 1.00 58.96 C +ATOM 827 CG ARG A 126 28.409 -11.063 -45.684 1.00 54.78 C +ATOM 828 CD ARG A 126 29.524 -10.378 -44.905 1.00 55.37 C +ATOM 829 NE ARG A 126 29.531 -10.793 -43.494 1.00 54.41 N +ATOM 830 CZ ARG A 126 30.415 -10.435 -42.585 1.00 49.35 C +ATOM 831 NH1 ARG A 126 31.384 -9.605 -42.854 1.00 50.18 N +ATOM 832 NH2 ARG A 126 30.326 -10.908 -41.380 1.00 48.71 N +ATOM 833 N GLY A 127 25.338 -11.872 -46.967 1.00 55.37 N +ATOM 834 CA GLY A 127 24.034 -11.575 -46.373 1.00 56.16 C +ATOM 835 C GLY A 127 24.110 -10.446 -45.342 1.00 57.64 C +ATOM 836 O GLY A 127 25.090 -10.333 -44.590 1.00 55.22 O +ATOM 837 N GLU A 128 23.073 -9.606 -45.311 1.00 51.19 N +ATOM 838 CA GLU A 128 22.967 -8.508 -44.347 1.00 55.04 C +ATOM 839 C GLU A 128 22.987 -9.035 -42.905 1.00 53.87 C +ATOM 840 O GLU A 128 22.511 -10.124 -42.585 1.00 53.16 O +ATOM 841 CB GLU A 128 21.711 -7.663 -44.597 1.00 54.51 C +ATOM 842 CG GLU A 128 21.763 -6.914 -45.949 1.00 51.07 C +ATOM 843 CD GLU A 128 20.589 -5.927 -46.133 1.00 48.62 C +ATOM 844 OE1 GLU A 128 20.726 -5.047 -47.011 1.00 47.75 O +ATOM 845 OE2 GLU A 128 19.588 -6.058 -45.398 1.00 46.24 O +ATOM 846 N THR A 129 23.591 -8.228 -42.029 1.00 61.68 N +ATOM 847 CA THR A 129 23.581 -8.536 -40.591 1.00 62.93 C +ATOM 848 C THR A 129 22.143 -8.481 -40.086 1.00 60.61 C +ATOM 849 O THR A 129 21.439 -7.504 -40.329 1.00 58.29 O +ATOM 850 CB THR A 129 24.477 -7.554 -39.821 1.00 62.12 C +ATOM 851 OG1 THR A 129 25.802 -7.660 -40.300 1.00 58.68 O +ATOM 852 CG2 THR A 129 24.528 -7.823 -38.324 1.00 59.27 C +ATOM 853 N GLY A 130 21.722 -9.501 -39.377 1.00 56.49 N +ATOM 854 CA GLY A 130 20.383 -9.526 -38.792 1.00 57.53 C +ATOM 855 C GLY A 130 20.136 -8.326 -37.870 1.00 58.34 C +ATOM 856 O GLY A 130 21.077 -7.813 -37.258 1.00 56.47 O +ATOM 857 N PRO A 131 18.884 -7.884 -37.741 1.00 57.86 N +ATOM 858 CA PRO A 131 18.548 -6.762 -36.879 1.00 60.81 C +ATOM 859 C PRO A 131 18.937 -7.041 -35.421 1.00 59.70 C +ATOM 860 O PRO A 131 18.968 -8.189 -34.971 1.00 58.96 O +ATOM 861 CB PRO A 131 17.038 -6.549 -37.050 1.00 60.15 C +ATOM 862 CG PRO A 131 16.528 -7.927 -37.470 1.00 57.68 C +ATOM 863 CD PRO A 131 17.688 -8.471 -38.306 1.00 58.42 C +ATOM 864 N VAL A 132 19.244 -5.962 -34.690 1.00 62.71 N +ATOM 865 CA VAL A 132 19.471 -6.049 -33.244 1.00 66.02 C +ATOM 866 C VAL A 132 18.201 -6.581 -32.574 1.00 65.21 C +ATOM 867 O VAL A 132 17.099 -6.148 -32.896 1.00 62.27 O +ATOM 868 CB VAL A 132 19.888 -4.676 -32.667 1.00 63.80 C +ATOM 869 CG1 VAL A 132 20.119 -4.715 -31.150 1.00 59.43 C +ATOM 870 CG2 VAL A 132 21.185 -4.178 -33.309 1.00 60.89 C +ATOM 871 N GLY A 133 18.377 -7.523 -31.671 1.00 56.95 N +ATOM 872 CA GLY A 133 17.256 -8.054 -30.909 1.00 58.82 C +ATOM 873 C GLY A 133 16.528 -6.951 -30.123 1.00 60.70 C +ATOM 874 O GLY A 133 17.148 -5.965 -29.731 1.00 59.70 O +ATOM 875 N PRO A 134 15.231 -7.107 -29.881 1.00 60.47 N +ATOM 876 CA PRO A 134 14.473 -6.129 -29.112 1.00 63.88 C +ATOM 877 C PRO A 134 15.072 -5.948 -27.711 1.00 63.67 C +ATOM 878 O PRO A 134 15.628 -6.891 -27.128 1.00 62.41 O +ATOM 879 CB PRO A 134 13.037 -6.651 -29.065 1.00 62.19 C +ATOM 880 CG PRO A 134 13.200 -8.159 -29.247 1.00 58.74 C +ATOM 881 CD PRO A 134 14.408 -8.265 -30.180 1.00 58.96 C +ATOM 882 N ARG A 135 14.950 -4.735 -27.170 1.00 61.55 N +ATOM 883 CA ARG A 135 15.329 -4.453 -25.782 1.00 66.38 C +ATOM 884 C ARG A 135 14.515 -5.345 -24.839 1.00 64.86 C +ATOM 885 O ARG A 135 13.325 -5.532 -25.048 1.00 62.20 O +ATOM 886 CB ARG A 135 15.135 -2.958 -25.491 1.00 64.01 C +ATOM 887 CG ARG A 135 15.631 -2.562 -24.087 1.00 59.71 C +ATOM 888 CD ARG A 135 15.545 -1.049 -23.890 1.00 59.14 C +ATOM 889 NE ARG A 135 16.039 -0.648 -22.559 1.00 57.86 N +ATOM 890 CZ ARG A 135 16.210 0.585 -22.121 1.00 51.75 C +ATOM 891 NH1 ARG A 135 15.947 1.618 -22.867 1.00 52.30 N +ATOM 892 NH2 ARG A 135 16.655 0.802 -20.925 1.00 50.95 N +ATOM 893 N GLY A 136 15.180 -5.868 -23.818 1.00 61.27 N +ATOM 894 CA GLY A 136 14.504 -6.646 -22.793 1.00 62.25 C +ATOM 895 C GLY A 136 13.387 -5.847 -22.104 1.00 64.13 C +ATOM 896 O GLY A 136 13.481 -4.627 -21.953 1.00 62.44 O +ATOM 897 N GLU A 137 12.339 -6.546 -21.701 1.00 56.71 N +ATOM 898 CA GLU A 137 11.227 -5.939 -20.971 1.00 62.04 C +ATOM 899 C GLU A 137 11.706 -5.361 -19.636 1.00 61.11 C +ATOM 900 O GLU A 137 12.614 -5.891 -18.980 1.00 59.71 O +ATOM 901 CB GLU A 137 10.100 -6.956 -20.765 1.00 59.91 C +ATOM 902 CG GLU A 137 9.465 -7.366 -22.114 1.00 55.29 C +ATOM 903 CD GLU A 137 8.349 -8.422 -21.987 1.00 51.94 C +ATOM 904 OE1 GLU A 137 7.700 -8.662 -23.031 1.00 49.77 O +ATOM 905 OE2 GLU A 137 8.203 -9.006 -20.891 1.00 48.23 O +ATOM 906 N ARG A 138 11.102 -4.237 -19.230 1.00 63.05 N +ATOM 907 CA ARG A 138 11.365 -3.644 -17.925 1.00 66.56 C +ATOM 908 C ARG A 138 10.931 -4.627 -16.834 1.00 64.47 C +ATOM 909 O ARG A 138 9.854 -5.203 -16.923 1.00 61.59 O +ATOM 910 CB ARG A 138 10.632 -2.295 -17.819 1.00 64.63 C +ATOM 911 CG ARG A 138 11.003 -1.543 -16.537 1.00 60.92 C +ATOM 912 CD ARG A 138 10.333 -0.171 -16.529 1.00 60.92 C +ATOM 913 NE ARG A 138 10.755 0.612 -15.352 1.00 59.36 N +ATOM 914 CZ ARG A 138 10.307 1.796 -15.004 1.00 54.35 C +ATOM 915 NH1 ARG A 138 9.383 2.415 -15.686 1.00 54.74 N +ATOM 916 NH2 ARG A 138 10.788 2.386 -13.948 1.00 53.14 N +ATOM 917 N GLY A 139 11.775 -4.792 -15.814 1.00 61.05 N +ATOM 918 CA GLY A 139 11.418 -5.617 -14.670 1.00 61.48 C +ATOM 919 C GLY A 139 10.141 -5.116 -13.979 1.00 62.51 C +ATOM 920 O GLY A 139 9.869 -3.910 -13.960 1.00 60.68 O +ATOM 921 N GLU A 140 9.388 -6.041 -13.413 1.00 54.38 N +ATOM 922 CA GLU A 140 8.204 -5.711 -12.627 1.00 58.80 C +ATOM 923 C GLU A 140 8.567 -4.822 -11.434 1.00 56.61 C +ATOM 924 O GLU A 140 9.649 -4.935 -10.846 1.00 55.86 O +ATOM 925 CB GLU A 140 7.493 -6.982 -12.151 1.00 58.28 C +ATOM 926 CG GLU A 140 6.931 -7.806 -13.333 1.00 54.32 C +ATOM 927 CD GLU A 140 6.145 -9.050 -12.882 1.00 51.96 C +ATOM 928 OE1 GLU A 140 5.400 -9.588 -13.730 1.00 50.68 O +ATOM 929 OE2 GLU A 140 6.306 -9.464 -11.709 1.00 49.34 O +ATOM 930 N ALA A 141 7.670 -3.890 -11.093 1.00 64.99 N +ATOM 931 CA ALA A 141 7.824 -3.099 -9.884 1.00 66.62 C +ATOM 932 C ALA A 141 7.812 -4.021 -8.654 1.00 64.85 C +ATOM 933 O ALA A 141 7.090 -5.020 -8.622 1.00 61.64 O +ATOM 934 CB ALA A 141 6.728 -2.030 -9.818 1.00 64.95 C +ATOM 935 N GLY A 142 8.630 -3.696 -7.656 1.00 58.15 N +ATOM 936 CA GLY A 142 8.591 -4.413 -6.399 1.00 58.99 C +ATOM 937 C GLY A 142 7.208 -4.303 -5.737 1.00 59.13 C +ATOM 938 O GLY A 142 6.520 -3.301 -5.934 1.00 57.50 O +ATOM 939 N PRO A 143 6.804 -5.306 -4.948 1.00 58.96 N +ATOM 940 CA PRO A 143 5.561 -5.227 -4.200 1.00 62.33 C +ATOM 941 C PRO A 143 5.579 -4.020 -3.249 1.00 60.46 C +ATOM 942 O PRO A 143 6.642 -3.655 -2.728 1.00 58.77 O +ATOM 943 CB PRO A 143 5.438 -6.555 -3.447 1.00 62.13 C +ATOM 944 CG PRO A 143 6.891 -7.010 -3.298 1.00 60.40 C +ATOM 945 CD PRO A 143 7.548 -6.497 -4.582 1.00 62.79 C +ATOM 946 N ALA A 144 4.409 -3.419 -3.005 1.00 61.79 N +ATOM 947 CA ALA A 144 4.268 -2.382 -2.005 1.00 64.30 C +ATOM 948 C ALA A 144 4.728 -2.886 -0.619 1.00 62.68 C +ATOM 949 O ALA A 144 4.613 -4.076 -0.303 1.00 59.96 O +ATOM 950 CB ALA A 144 2.815 -1.882 -1.979 1.00 63.24 C +ATOM 951 N GLY A 145 5.298 -1.978 0.172 1.00 58.07 N +ATOM 952 CA GLY A 145 5.631 -2.276 1.558 1.00 59.58 C +ATOM 953 C GLY A 145 4.382 -2.680 2.343 1.00 60.71 C +ATOM 954 O GLY A 145 3.288 -2.193 2.072 1.00 59.22 O +ATOM 955 N LYS A 146 4.553 -3.580 3.305 1.00 59.79 N +ATOM 956 CA LYS A 146 3.459 -3.936 4.216 1.00 64.41 C +ATOM 957 C LYS A 146 3.107 -2.739 5.092 1.00 63.49 C +ATOM 958 O LYS A 146 4.000 -1.981 5.481 1.00 62.64 O +ATOM 959 CB LYS A 146 3.840 -5.133 5.093 1.00 62.39 C +ATOM 960 CG LYS A 146 4.073 -6.409 4.282 1.00 58.65 C +ATOM 961 CD LYS A 146 4.384 -7.577 5.220 1.00 57.56 C +ATOM 962 CE LYS A 146 4.634 -8.858 4.416 1.00 54.06 C +ATOM 963 NZ LYS A 146 4.927 -9.998 5.302 1.00 48.23 N +ATOM 964 N ASP A 147 1.829 -2.619 5.458 1.00 67.84 N +ATOM 965 CA ASP A 147 1.385 -1.630 6.424 1.00 70.79 C +ATOM 966 C ASP A 147 2.175 -1.748 7.731 1.00 71.02 C +ATOM 967 O ASP A 147 2.576 -2.838 8.155 1.00 67.46 O +ATOM 968 CB ASP A 147 -0.126 -1.768 6.694 1.00 67.42 C +ATOM 969 CG ASP A 147 -0.980 -1.542 5.460 1.00 63.39 C +ATOM 970 OD1 ASP A 147 -0.485 -0.889 4.504 1.00 60.18 O +ATOM 971 OD2 ASP A 147 -2.113 -2.077 5.451 1.00 58.71 O +ATOM 972 N GLY A 148 2.433 -0.597 8.351 1.00 63.47 N +ATOM 973 CA GLY A 148 3.077 -0.559 9.648 1.00 64.76 C +ATOM 974 C GLY A 148 2.251 -1.297 10.701 1.00 66.22 C +ATOM 975 O GLY A 148 1.023 -1.259 10.698 1.00 64.52 O +ATOM 976 N GLU A 149 2.930 -1.946 11.632 1.00 55.22 N +ATOM 977 CA GLU A 149 2.259 -2.590 12.766 1.00 60.64 C +ATOM 978 C GLU A 149 1.476 -1.552 13.585 1.00 59.10 C +ATOM 979 O GLU A 149 1.894 -0.398 13.762 1.00 58.48 O +ATOM 980 CB GLU A 149 3.258 -3.342 13.652 1.00 60.32 C +ATOM 981 CG GLU A 149 3.884 -4.537 12.899 1.00 57.02 C +ATOM 982 CD GLU A 149 4.832 -5.385 13.781 1.00 54.02 C +ATOM 983 OE1 GLU A 149 5.163 -6.502 13.329 1.00 52.14 O +ATOM 984 OE2 GLU A 149 5.226 -4.913 14.871 1.00 51.45 O +ATOM 985 N ARG A 150 0.305 -1.961 14.094 1.00 63.99 N +ATOM 986 CA ARG A 150 -0.494 -1.129 14.997 1.00 67.38 C +ATOM 987 C ARG A 150 0.334 -0.780 16.236 1.00 65.56 C +ATOM 988 O ARG A 150 0.977 -1.647 16.814 1.00 61.55 O +ATOM 989 CB ARG A 150 -1.796 -1.863 15.352 1.00 65.03 C +ATOM 990 CG ARG A 150 -2.765 -0.989 16.165 1.00 60.86 C +ATOM 991 CD ARG A 150 -4.071 -1.735 16.429 1.00 60.90 C +ATOM 992 NE ARG A 150 -5.039 -0.885 17.141 1.00 57.88 N +ATOM 993 CZ ARG A 150 -6.206 -1.249 17.653 1.00 52.43 C +ATOM 994 NH1 ARG A 150 -6.659 -2.460 17.571 1.00 52.46 N +ATOM 995 NH2 ARG A 150 -6.948 -0.391 18.272 1.00 50.77 N +ATOM 996 N GLY A 151 0.306 0.492 16.626 1.00 62.33 N +ATOM 997 CA GLY A 151 0.972 0.920 17.852 1.00 62.60 C +ATOM 998 C GLY A 151 0.469 0.144 19.071 1.00 63.23 C +ATOM 999 O GLY A 151 -0.680 -0.305 19.097 1.00 61.80 O +ATOM 1000 N PRO A 152 1.311 -0.014 20.107 1.00 60.17 N +ATOM 1001 CA PRO A 152 0.898 -0.679 21.336 1.00 64.01 C +ATOM 1002 C PRO A 152 -0.284 0.061 21.980 1.00 61.72 C +ATOM 1003 O PRO A 152 -0.387 1.291 21.895 1.00 60.70 O +ATOM 1004 CB PRO A 152 2.135 -0.701 22.236 1.00 64.30 C +ATOM 1005 CG PRO A 152 2.944 0.503 21.756 1.00 61.80 C +ATOM 1006 CD PRO A 152 2.649 0.523 20.250 1.00 64.55 C +ATOM 1007 N VAL A 153 -1.150 -0.687 22.655 1.00 66.81 N +ATOM 1008 CA VAL A 153 -2.224 -0.113 23.479 1.00 69.83 C +ATOM 1009 C VAL A 153 -1.602 0.783 24.548 1.00 69.04 C +ATOM 1010 O VAL A 153 -0.579 0.439 25.142 1.00 65.41 O +ATOM 1011 CB VAL A 153 -3.100 -1.227 24.089 1.00 67.32 C +ATOM 1012 CG1 VAL A 153 -4.234 -0.675 24.970 1.00 61.67 C +ATOM 1013 CG2 VAL A 153 -3.752 -2.079 22.997 1.00 63.91 C +ATOM 1014 N GLY A 154 -2.201 1.951 24.775 1.00 60.96 N +ATOM 1015 CA GLY A 154 -1.768 2.858 25.824 1.00 61.84 C +ATOM 1016 C GLY A 154 -1.841 2.191 27.212 1.00 62.13 C +ATOM 1017 O GLY A 154 -2.649 1.291 27.419 1.00 60.82 O +ATOM 1018 N PRO A 155 -1.012 2.632 28.159 1.00 60.48 N +ATOM 1019 CA PRO A 155 -1.076 2.116 29.523 1.00 64.73 C +ATOM 1020 C PRO A 155 -2.464 2.375 30.128 1.00 61.99 C +ATOM 1021 O PRO A 155 -3.094 3.399 29.832 1.00 60.51 O +ATOM 1022 CB PRO A 155 0.034 2.833 30.287 1.00 65.05 C +ATOM 1023 CG PRO A 155 0.199 4.143 29.524 1.00 62.94 C +ATOM 1024 CD PRO A 155 -0.077 3.736 28.073 1.00 64.97 C +ATOM 1025 N ALA A 156 -2.909 1.464 30.996 1.00 64.78 N +ATOM 1026 CA ALA A 156 -4.136 1.657 31.756 1.00 68.02 C +ATOM 1027 C ALA A 156 -4.104 2.975 32.553 1.00 66.36 C +ATOM 1028 O ALA A 156 -3.038 3.442 32.972 1.00 63.00 O +ATOM 1029 CB ALA A 156 -4.363 0.442 32.672 1.00 66.41 C +ATOM 1030 N GLY A 157 -5.279 3.583 32.722 1.00 59.99 N +ATOM 1031 CA GLY A 157 -5.447 4.740 33.587 1.00 61.26 C +ATOM 1032 C GLY A 157 -5.029 4.432 35.026 1.00 61.90 C +ATOM 1033 O GLY A 157 -5.054 3.286 35.462 1.00 60.17 O +ATOM 1034 N LYS A 158 -4.637 5.465 35.746 1.00 59.07 N +ATOM 1035 CA LYS A 158 -4.332 5.313 37.177 1.00 64.50 C +ATOM 1036 C LYS A 158 -5.609 4.976 37.945 1.00 62.55 C +ATOM 1037 O LYS A 158 -6.665 5.510 37.621 1.00 62.15 O +ATOM 1038 CB LYS A 158 -3.695 6.597 37.745 1.00 63.23 C +ATOM 1039 CG LYS A 158 -2.336 6.901 37.116 1.00 60.28 C +ATOM 1040 CD LYS A 158 -1.737 8.162 37.752 1.00 59.00 C +ATOM 1041 CE LYS A 158 -0.382 8.480 37.115 1.00 55.94 C +ATOM 1042 NZ LYS A 158 0.223 9.681 37.716 1.00 49.87 N +ATOM 1043 N ASP A 159 -5.453 4.174 38.988 1.00 64.00 N +ATOM 1044 CA ASP A 159 -6.552 3.870 39.906 1.00 67.78 C +ATOM 1045 C ASP A 159 -7.196 5.157 40.438 1.00 65.60 C +ATOM 1046 O ASP A 159 -6.539 6.190 40.636 1.00 61.79 O +ATOM 1047 CB ASP A 159 -6.063 2.992 41.073 1.00 65.83 C +ATOM 1048 CG ASP A 159 -5.461 1.666 40.626 1.00 62.78 C +ATOM 1049 OD1 ASP A 159 -5.783 1.216 39.503 1.00 59.93 O +ATOM 1050 OD2 ASP A 159 -4.608 1.137 41.381 1.00 58.46 O +ATOM 1051 N GLY A 160 -8.510 5.092 40.662 1.00 62.07 N +ATOM 1052 CA GLY A 160 -9.255 6.169 41.291 1.00 62.51 C +ATOM 1053 C GLY A 160 -8.735 6.473 42.696 1.00 63.04 C +ATOM 1054 O GLY A 160 -8.230 5.603 43.399 1.00 60.51 O +ATOM 1055 N GLN A 161 -8.858 7.725 43.093 1.00 56.84 N +ATOM 1056 CA GLN A 161 -8.535 8.097 44.477 1.00 60.70 C +ATOM 1057 C GLN A 161 -9.561 7.469 45.427 1.00 60.24 C +ATOM 1058 O GLN A 161 -10.749 7.411 45.109 1.00 58.21 O +ATOM 1059 CB GLN A 161 -8.500 9.620 44.637 1.00 60.06 C +ATOM 1060 CG GLN A 161 -7.334 10.254 43.857 1.00 57.64 C +ATOM 1061 CD GLN A 161 -7.241 11.771 44.014 1.00 53.85 C +ATOM 1062 OE1 GLN A 161 -8.081 12.441 44.582 1.00 53.48 O +ATOM 1063 NE2 GLN A 161 -6.203 12.378 43.497 1.00 49.32 N +ATOM 1064 N ASN A 162 -9.085 7.054 46.601 1.00 65.38 N +ATOM 1065 CA ASN A 162 -9.972 6.564 47.655 1.00 68.45 C +ATOM 1066 C ASN A 162 -11.059 7.597 47.980 1.00 66.54 C +ATOM 1067 O ASN A 162 -10.830 8.808 47.928 1.00 62.66 O +ATOM 1068 CB ASN A 162 -9.152 6.214 48.914 1.00 66.02 C +ATOM 1069 CG ASN A 162 -8.205 5.043 48.721 1.00 62.03 C +ATOM 1070 OD1 ASN A 162 -8.261 4.294 47.763 1.00 60.06 O +ATOM 1071 ND2 ASN A 162 -7.287 4.841 49.625 1.00 57.12 N +ATOM 1072 N GLY A 163 -12.240 7.109 48.316 1.00 60.50 N +ATOM 1073 CA GLY A 163 -13.320 7.957 48.812 1.00 61.40 C +ATOM 1074 C GLY A 163 -12.911 8.719 50.069 1.00 62.33 C +ATOM 1075 O GLY A 163 -12.070 8.268 50.843 1.00 60.15 O +ATOM 1076 N GLN A 164 -13.500 9.888 50.253 1.00 56.01 N +ATOM 1077 CA GLN A 164 -13.294 10.653 51.484 1.00 60.24 C +ATOM 1078 C GLN A 164 -13.922 9.909 52.670 1.00 59.83 C +ATOM 1079 O GLN A 164 -14.968 9.273 52.530 1.00 57.82 O +ATOM 1080 CB GLN A 164 -13.895 12.060 51.358 1.00 59.67 C +ATOM 1081 CG GLN A 164 -13.123 12.919 50.339 1.00 57.01 C +ATOM 1082 CD GLN A 164 -13.678 14.336 50.193 1.00 53.72 C +ATOM 1083 OE1 GLN A 164 -14.736 14.703 50.664 1.00 53.24 O +ATOM 1084 NE2 GLN A 164 -12.982 15.209 49.503 1.00 48.89 N +ATOM 1085 N ASP A 165 -13.287 10.053 53.823 1.00 62.85 N +ATOM 1086 CA ASP A 165 -13.822 9.507 55.067 1.00 65.96 C +ATOM 1087 C ASP A 165 -15.247 10.008 55.324 1.00 64.24 C +ATOM 1088 O ASP A 165 -15.617 11.140 54.977 1.00 60.36 O +ATOM 1089 CB ASP A 165 -12.904 9.854 56.252 1.00 64.12 C +ATOM 1090 CG ASP A 165 -11.515 9.235 56.162 1.00 61.65 C +ATOM 1091 OD1 ASP A 165 -11.379 8.191 55.473 1.00 59.51 O +ATOM 1092 OD2 ASP A 165 -10.584 9.824 56.759 1.00 57.11 O +ATOM 1093 N GLY A 166 -16.055 9.154 55.919 1.00 59.87 N +ATOM 1094 CA GLY A 166 -17.397 9.531 56.344 1.00 60.24 C +ATOM 1095 C GLY A 166 -17.367 10.679 57.364 1.00 60.87 C +ATOM 1096 O GLY A 166 -16.424 10.828 58.135 1.00 58.47 O +ATOM 1097 N LEU A 167 -18.428 11.480 57.368 1.00 57.40 N +ATOM 1098 CA LEU A 167 -18.565 12.541 58.362 1.00 61.26 C +ATOM 1099 C LEU A 167 -18.664 11.946 59.774 1.00 60.60 C +ATOM 1100 O LEU A 167 -19.293 10.889 59.935 1.00 59.42 O +ATOM 1101 CB LEU A 167 -19.792 13.417 58.050 1.00 60.68 C +ATOM 1102 CG LEU A 167 -19.697 14.222 56.746 1.00 57.18 C +ATOM 1103 CD1 LEU A 167 -21.022 14.948 56.497 1.00 55.61 C +ATOM 1104 CD2 LEU A 167 -18.580 15.264 56.777 1.00 54.26 C +ATOM 1105 N PRO A 168 -18.126 12.637 60.791 1.00 60.91 N +ATOM 1106 CA PRO A 168 -18.298 12.226 62.178 1.00 63.73 C +ATOM 1107 C PRO A 168 -19.769 12.008 62.536 1.00 61.08 C +ATOM 1108 O PRO A 168 -20.660 12.699 62.035 1.00 59.47 O +ATOM 1109 CB PRO A 168 -17.675 13.345 63.030 1.00 63.82 C +ATOM 1110 CG PRO A 168 -16.631 13.947 62.099 1.00 59.46 C +ATOM 1111 CD PRO A 168 -17.254 13.823 60.715 1.00 61.01 C +ATOM 1112 N GLY A 169 -20.017 11.048 63.394 1.00 58.44 N +ATOM 1113 CA GLY A 169 -21.349 10.837 63.960 1.00 59.22 C +ATOM 1114 C GLY A 169 -21.850 12.086 64.696 1.00 59.97 C +ATOM 1115 O GLY A 169 -21.071 12.893 65.184 1.00 58.33 O +ATOM 1116 N LYS A 170 -23.176 12.247 64.753 1.00 56.27 N +ATOM 1117 CA LYS A 170 -23.777 13.349 65.514 1.00 60.92 C +ATOM 1118 C LYS A 170 -23.565 13.129 67.004 1.00 60.55 C +ATOM 1119 O LYS A 170 -23.673 11.998 67.470 1.00 59.47 O +ATOM 1120 CB LYS A 170 -25.275 13.481 65.204 1.00 59.43 C +ATOM 1121 CG LYS A 170 -25.529 13.889 63.747 1.00 55.36 C +ATOM 1122 CD LYS A 170 -27.024 14.072 63.505 1.00 53.38 C +ATOM 1123 CE LYS A 170 -27.246 14.470 62.039 1.00 50.97 C +ATOM 1124 NZ LYS A 170 -28.672 14.690 61.733 1.00 45.15 N +ATOM 1125 N ASP A 171 -23.356 14.222 67.691 1.00 59.23 N +ATOM 1126 CA ASP A 171 -23.269 14.191 69.147 1.00 61.89 C +ATOM 1127 C ASP A 171 -24.485 13.494 69.769 1.00 59.22 C +ATOM 1128 O ASP A 171 -25.609 13.547 69.252 1.00 56.94 O +ATOM 1129 CB ASP A 171 -23.109 15.624 69.705 1.00 60.90 C +ATOM 1130 CG ASP A 171 -21.846 16.329 69.222 1.00 57.42 C +ATOM 1131 OD1 ASP A 171 -20.878 15.626 68.859 1.00 55.83 O +ATOM 1132 OD2 ASP A 171 -21.877 17.576 69.170 1.00 54.45 O +ATOM 1133 N GLY A 172 -24.244 12.796 70.863 1.00 59.31 N +ATOM 1134 CA GLY A 172 -25.300 12.188 71.657 1.00 59.45 C +ATOM 1135 C GLY A 172 -26.280 13.238 72.193 1.00 60.14 C +ATOM 1136 O GLY A 172 -25.930 14.404 72.372 1.00 58.26 O +ATOM 1137 N LYS A 173 -27.518 12.821 72.425 1.00 57.59 N +ATOM 1138 CA LYS A 173 -28.501 13.718 73.044 1.00 61.31 C +ATOM 1139 C LYS A 173 -28.129 13.954 74.502 1.00 60.67 C +ATOM 1140 O LYS A 173 -27.806 12.994 75.204 1.00 59.19 O +ATOM 1141 CB LYS A 173 -29.922 13.146 72.953 1.00 59.97 C +ATOM 1142 CG LYS A 173 -30.419 13.068 71.506 1.00 55.22 C +ATOM 1143 CD LYS A 173 -31.858 12.535 71.492 1.00 53.60 C +ATOM 1144 CE LYS A 173 -32.369 12.444 70.052 1.00 50.42 C +ATOM 1145 NZ LYS A 173 -33.749 11.926 70.016 1.00 45.06 N +ATOM 1146 N ASP A 174 -28.279 15.194 74.940 1.00 59.62 N +ATOM 1147 CA ASP A 174 -28.112 15.534 76.352 1.00 61.55 C +ATOM 1148 C ASP A 174 -28.981 14.654 77.243 1.00 59.72 C +ATOM 1149 O ASP A 174 -30.106 14.268 76.885 1.00 57.30 O +ATOM 1150 CB ASP A 174 -28.440 17.021 76.587 1.00 60.29 C +ATOM 1151 CG ASP A 174 -27.532 17.993 75.839 1.00 55.99 C +ATOM 1152 OD1 ASP A 174 -26.390 17.600 75.534 1.00 53.86 O +ATOM 1153 OD2 ASP A 174 -28.017 19.104 75.547 1.00 52.64 O +ATOM 1154 N GLY A 175 -28.447 14.327 78.408 1.00 55.47 N +ATOM 1155 CA GLY A 175 -29.193 13.616 79.435 1.00 56.03 C +ATOM 1156 C GLY A 175 -30.452 14.386 79.857 1.00 56.34 C +ATOM 1157 O GLY A 175 -30.490 15.613 79.832 1.00 54.78 O +ATOM 1158 N GLN A 176 -31.492 13.661 80.222 1.00 54.92 N +ATOM 1159 CA GLN A 176 -32.706 14.302 80.728 1.00 57.61 C +ATOM 1160 C GLN A 176 -32.440 14.903 82.114 1.00 57.34 C +ATOM 1161 O GLN A 176 -31.921 14.215 82.995 1.00 55.39 O +ATOM 1162 CB GLN A 176 -33.884 13.316 80.781 1.00 56.92 C +ATOM 1163 CG GLN A 176 -34.339 12.888 79.368 1.00 53.34 C +ATOM 1164 CD GLN A 176 -35.565 11.977 79.374 1.00 50.50 C +ATOM 1165 OE1 GLN A 176 -36.059 11.503 80.374 1.00 48.83 O +ATOM 1166 NE2 GLN A 176 -36.116 11.686 78.215 1.00 45.32 N +ATOM 1167 N ASN A 177 -32.857 16.152 82.291 1.00 58.68 N +ATOM 1168 CA ASN A 177 -32.791 16.782 83.609 1.00 59.77 C +ATOM 1169 C ASN A 177 -33.567 15.957 84.642 1.00 58.32 C +ATOM 1170 O ASN A 177 -34.664 15.448 84.369 1.00 56.04 O +ATOM 1171 CB ASN A 177 -33.327 18.224 83.523 1.00 58.26 C +ATOM 1172 CG ASN A 177 -32.445 19.160 82.719 1.00 52.64 C +ATOM 1173 OD1 ASN A 177 -31.286 18.909 82.466 1.00 50.36 O +ATOM 1174 ND2 ASN A 177 -32.962 20.286 82.277 1.00 48.76 N +ATOM 1175 N GLY A 178 -32.997 15.845 85.820 1.00 53.13 N +ATOM 1176 CA GLY A 178 -33.685 15.240 86.951 1.00 53.81 C +ATOM 1177 C GLY A 178 -34.996 15.974 87.274 1.00 53.75 C +ATOM 1178 O GLY A 178 -35.099 17.187 87.085 1.00 52.03 O +ATOM 1179 N LYS A 179 -36.006 15.242 87.690 1.00 57.66 N +ATOM 1180 CA LYS A 179 -37.260 15.862 88.154 1.00 60.33 C +ATOM 1181 C LYS A 179 -37.011 16.594 89.477 1.00 60.16 C +ATOM 1182 O LYS A 179 -36.297 16.068 90.330 1.00 57.16 O +ATOM 1183 CB LYS A 179 -38.373 14.817 88.325 1.00 58.46 C +ATOM 1184 CG LYS A 179 -38.825 14.218 86.990 1.00 53.46 C +ATOM 1185 CD LYS A 179 -39.986 13.234 87.202 1.00 51.14 C +ATOM 1186 CE LYS A 179 -40.433 12.646 85.863 1.00 48.35 C +ATOM 1187 NZ LYS A 179 -41.550 11.692 86.032 1.00 42.97 N +ATOM 1188 N ASP A 180 -37.626 17.763 89.647 1.00 56.34 N +ATOM 1189 CA ASP A 180 -37.536 18.553 90.870 1.00 58.86 C +ATOM 1190 C ASP A 180 -37.961 17.740 92.104 1.00 58.84 C +ATOM 1191 O ASP A 180 -39.107 17.265 92.206 1.00 54.88 O +ATOM 1192 CB ASP A 180 -38.400 19.828 90.752 1.00 56.47 C +ATOM 1193 CG ASP A 180 -37.899 20.806 89.683 1.00 51.19 C +ATOM 1194 OD1 ASP A 180 -36.670 20.959 89.582 1.00 48.18 O +ATOM 1195 OD2 ASP A 180 -38.762 21.380 88.986 1.00 46.36 O +ATOM 1196 N GLY A 181 -37.026 17.577 93.030 1.00 51.06 N +ATOM 1197 CA GLY A 181 -37.175 16.770 94.242 1.00 53.83 C +ATOM 1198 C GLY A 181 -35.832 16.141 94.658 1.00 54.10 C +ATOM 1199 O GLY A 181 -34.874 16.237 93.902 1.00 52.05 O +ATOM 1200 N PRO A 182 -35.715 15.467 95.840 1.00 52.79 N +ATOM 1201 CA PRO A 182 -34.502 14.725 96.202 1.00 56.28 C +ATOM 1202 C PRO A 182 -34.379 13.450 95.347 1.00 56.24 C +ATOM 1203 O PRO A 182 -34.568 12.326 95.811 1.00 54.69 O +ATOM 1204 CB PRO A 182 -34.630 14.480 97.724 1.00 56.38 C +ATOM 1205 CG PRO A 182 -36.133 14.361 97.912 1.00 52.98 C +ATOM 1206 CD PRO A 182 -36.727 15.325 96.877 1.00 54.61 C +ATOM 1207 N GLY A 183 -34.160 13.626 94.065 1.00 48.02 N +ATOM 1208 CA GLY A 183 -34.127 12.609 93.026 1.00 49.91 C +ATOM 1209 C GLY A 183 -32.731 12.412 92.454 1.00 50.86 C +ATOM 1210 O GLY A 183 -31.895 13.307 92.507 1.00 49.07 O +ATOM 1211 N LYS A 184 -32.464 11.191 91.926 1.00 51.98 N +ATOM 1212 CA LYS A 184 -31.183 10.800 91.324 1.00 56.02 C +ATOM 1213 C LYS A 184 -30.866 11.675 90.111 1.00 56.95 C +ATOM 1214 O LYS A 184 -31.784 12.024 89.368 1.00 55.56 O +ATOM 1215 CB LYS A 184 -31.231 9.319 90.908 1.00 55.14 C +ATOM 1216 CG LYS A 184 -31.428 8.360 92.091 1.00 50.68 C +ATOM 1217 CD LYS A 184 -31.483 6.906 91.610 1.00 49.33 C +ATOM 1218 CE LYS A 184 -31.668 5.978 92.815 1.00 46.08 C +ATOM 1219 NZ LYS A 184 -31.728 4.547 92.415 1.00 42.03 N +ATOM 1220 N ASP A 185 -29.562 11.942 89.892 1.00 56.33 N +ATOM 1221 CA ASP A 185 -29.067 12.636 88.711 1.00 59.46 C +ATOM 1222 C ASP A 185 -29.624 12.011 87.417 1.00 59.50 C +ATOM 1223 O ASP A 185 -29.899 10.802 87.350 1.00 57.73 O +ATOM 1224 CB ASP A 185 -27.526 12.649 88.701 1.00 57.98 C +ATOM 1225 CG ASP A 185 -26.924 13.342 89.929 1.00 53.62 C +ATOM 1226 OD1 ASP A 185 -27.587 14.262 90.463 1.00 51.28 O +ATOM 1227 OD2 ASP A 185 -25.848 12.899 90.370 1.00 50.32 O +ATOM 1228 N GLY A 186 -29.840 12.839 86.416 1.00 53.52 N +ATOM 1229 CA GLY A 186 -30.254 12.391 85.091 1.00 54.58 C +ATOM 1230 C GLY A 186 -29.230 11.422 84.492 1.00 55.33 C +ATOM 1231 O GLY A 186 -28.043 11.501 84.794 1.00 54.03 O +ATOM 1232 N LYS A 187 -29.694 10.472 83.702 1.00 60.29 N +ATOM 1233 CA LYS A 187 -28.770 9.554 83.011 1.00 64.32 C +ATOM 1234 C LYS A 187 -27.975 10.317 81.961 1.00 64.58 C +ATOM 1235 O LYS A 187 -28.559 11.105 81.225 1.00 63.75 O +ATOM 1236 CB LYS A 187 -29.527 8.388 82.352 1.00 62.27 C +ATOM 1237 CG LYS A 187 -30.181 7.456 83.371 1.00 57.22 C +ATOM 1238 CD LYS A 187 -30.831 6.279 82.638 1.00 55.64 C +ATOM 1239 CE LYS A 187 -31.486 5.317 83.635 1.00 51.92 C +ATOM 1240 NZ LYS A 187 -32.080 4.147 82.944 1.00 46.90 N +ATOM 1241 N ASP A 188 -26.671 9.997 81.837 1.00 66.94 N +ATOM 1242 CA ASP A 188 -25.810 10.538 80.788 1.00 68.89 C +ATOM 1243 C ASP A 188 -26.407 10.302 79.395 1.00 68.52 C +ATOM 1244 O ASP A 188 -27.075 9.294 79.136 1.00 65.36 O +ATOM 1245 CB ASP A 188 -24.395 9.934 80.879 1.00 65.88 C +ATOM 1246 CG ASP A 188 -23.682 10.242 82.197 1.00 61.51 C +ATOM 1247 OD1 ASP A 188 -24.006 11.286 82.802 1.00 58.75 O +ATOM 1248 OD2 ASP A 188 -22.855 9.399 82.602 1.00 57.07 O +ATOM 1249 N GLY A 189 -26.188 11.247 78.507 1.00 64.28 N +ATOM 1250 CA GLY A 189 -26.550 11.113 77.103 1.00 63.90 C +ATOM 1251 C GLY A 189 -25.826 9.930 76.447 1.00 64.60 C +ATOM 1252 O GLY A 189 -24.709 9.578 76.821 1.00 62.94 O +ATOM 1253 N GLN A 190 -26.478 9.289 75.479 1.00 64.73 N +ATOM 1254 CA GLN A 190 -25.833 8.233 74.708 1.00 68.14 C +ATOM 1255 C GLN A 190 -24.860 8.843 73.694 1.00 68.54 C +ATOM 1256 O GLN A 190 -25.205 9.816 73.027 1.00 66.61 O +ATOM 1257 CB GLN A 190 -26.869 7.359 73.988 1.00 65.92 C +ATOM 1258 CG GLN A 190 -27.728 6.550 74.984 1.00 61.97 C +ATOM 1259 CD GLN A 190 -28.729 5.615 74.302 1.00 57.84 C +ATOM 1260 OE1 GLN A 190 -28.984 5.630 73.110 1.00 56.72 O +ATOM 1261 NE2 GLN A 190 -29.369 4.752 75.059 1.00 52.19 N +ATOM 1262 N ASN A 191 -23.682 8.226 73.549 1.00 73.27 N +ATOM 1263 CA ASN A 191 -22.726 8.624 72.522 1.00 74.07 C +ATOM 1264 C ASN A 191 -23.369 8.589 71.131 1.00 72.60 C +ATOM 1265 O ASN A 191 -24.215 7.737 70.833 1.00 69.01 O +ATOM 1266 CB ASN A 191 -21.478 7.715 72.584 1.00 70.51 C +ATOM 1267 CG ASN A 191 -20.657 7.877 73.850 1.00 65.35 C +ATOM 1268 OD1 ASN A 191 -20.818 8.811 74.620 1.00 62.94 O +ATOM 1269 ND2 ASN A 191 -19.757 6.969 74.124 1.00 60.55 N +ATOM 1270 N GLY A 192 -22.962 9.502 70.265 1.00 69.91 N +ATOM 1271 CA GLY A 192 -23.320 9.490 68.849 1.00 69.23 C +ATOM 1272 C GLY A 192 -22.847 8.205 68.163 1.00 69.75 C +ATOM 1273 O GLY A 192 -21.886 7.573 68.590 1.00 68.16 O +ATOM 1274 N LYS A 193 -23.549 7.803 67.117 1.00 68.55 N +ATOM 1275 CA LYS A 193 -23.101 6.673 66.283 1.00 72.00 C +ATOM 1276 C LYS A 193 -21.933 7.120 65.410 1.00 72.25 C +ATOM 1277 O LYS A 193 -21.968 8.222 64.881 1.00 70.70 O +ATOM 1278 CB LYS A 193 -24.245 6.144 65.407 1.00 68.65 C +ATOM 1279 CG LYS A 193 -25.384 5.536 66.238 1.00 63.72 C +ATOM 1280 CD LYS A 193 -26.449 4.944 65.310 1.00 61.92 C +ATOM 1281 CE LYS A 193 -27.578 4.337 66.135 1.00 57.79 C +ATOM 1282 NZ LYS A 193 -28.599 3.707 65.278 1.00 51.73 N +ATOM 1283 N ASP A 194 -20.967 6.205 65.192 1.00 72.40 N +ATOM 1284 CA ASP A 194 -19.862 6.429 64.263 1.00 73.88 C +ATOM 1285 C ASP A 194 -20.374 6.772 62.863 1.00 73.51 C +ATOM 1286 O ASP A 194 -21.434 6.307 62.420 1.00 69.00 O +ATOM 1287 CB ASP A 194 -18.928 5.202 64.218 1.00 70.38 C +ATOM 1288 CG ASP A 194 -18.302 4.869 65.579 1.00 67.67 C +ATOM 1289 OD1 ASP A 194 -18.161 5.804 66.397 1.00 65.52 O +ATOM 1290 OD2 ASP A 194 -18.031 3.675 65.805 1.00 62.74 O +ATOM 1291 N GLY A 195 -19.628 7.617 62.163 1.00 72.39 N +ATOM 1292 CA GLY A 195 -19.892 7.933 60.763 1.00 71.44 C +ATOM 1293 C GLY A 195 -19.774 6.687 59.883 1.00 71.58 C +ATOM 1294 O GLY A 195 -19.047 5.746 60.198 1.00 69.29 O +ATOM 1295 N LEU A 196 -20.509 6.673 58.766 1.00 68.73 N +ATOM 1296 CA LEU A 196 -20.366 5.596 57.784 1.00 71.26 C +ATOM 1297 C LEU A 196 -19.012 5.725 57.063 1.00 70.83 C +ATOM 1298 O LEU A 196 -18.605 6.846 56.771 1.00 69.19 O +ATOM 1299 CB LEU A 196 -21.532 5.624 56.778 1.00 69.21 C +ATOM 1300 CG LEU A 196 -22.915 5.315 57.389 1.00 65.08 C +ATOM 1301 CD1 LEU A 196 -23.997 5.501 56.329 1.00 62.21 C +ATOM 1302 CD2 LEU A 196 -23.014 3.884 57.921 1.00 60.85 C +ATOM 1303 N PRO A 197 -18.360 4.592 56.717 1.00 71.50 N +ATOM 1304 CA PRO A 197 -17.157 4.617 55.877 1.00 72.91 C +ATOM 1305 C PRO A 197 -17.393 5.385 54.574 1.00 71.46 C +ATOM 1306 O PRO A 197 -18.490 5.379 54.016 1.00 68.42 O +ATOM 1307 CB PRO A 197 -16.796 3.149 55.610 1.00 71.17 C +ATOM 1308 CG PRO A 197 -17.398 2.412 56.798 1.00 68.15 C +ATOM 1309 CD PRO A 197 -18.655 3.214 57.115 1.00 70.30 C +ATOM 1310 N GLY A 198 -16.342 6.033 54.088 1.00 72.42 N +ATOM 1311 CA GLY A 198 -16.342 6.629 52.754 1.00 72.44 C +ATOM 1312 C GLY A 198 -16.595 5.585 51.666 1.00 72.87 C +ATOM 1313 O GLY A 198 -16.345 4.395 51.850 1.00 71.14 O +ATOM 1314 N LYS A 199 -17.138 6.033 50.519 1.00 68.69 N +ATOM 1315 CA LYS A 199 -17.321 5.141 49.361 1.00 71.84 C +ATOM 1316 C LYS A 199 -15.972 4.898 48.679 1.00 72.08 C +ATOM 1317 O LYS A 199 -15.191 5.833 48.548 1.00 70.31 O +ATOM 1318 CB LYS A 199 -18.315 5.731 48.353 1.00 68.28 C +ATOM 1319 CG LYS A 199 -19.736 5.830 48.937 1.00 63.44 C +ATOM 1320 CD LYS A 199 -20.697 6.366 47.876 1.00 60.53 C +ATOM 1321 CE LYS A 199 -22.096 6.465 48.467 1.00 56.53 C +ATOM 1322 NZ LYS A 199 -23.071 6.983 47.480 1.00 49.99 N +ATOM 1323 N ASP A 200 -15.781 3.673 48.159 1.00 73.70 N +ATOM 1324 CA ASP A 200 -14.612 3.345 47.357 1.00 75.18 C +ATOM 1325 C ASP A 200 -14.481 4.289 46.151 1.00 74.31 C +ATOM 1326 O ASP A 200 -15.472 4.776 45.587 1.00 70.42 O +ATOM 1327 CB ASP A 200 -14.659 1.875 46.904 1.00 71.80 C +ATOM 1328 CG ASP A 200 -14.694 0.880 48.079 1.00 68.44 C +ATOM 1329 OD1 ASP A 200 -14.185 1.242 49.168 1.00 65.67 O +ATOM 1330 OD2 ASP A 200 -15.287 -0.205 47.897 1.00 63.64 O +ATOM 1331 N GLY A 201 -13.236 4.577 45.785 1.00 73.91 N +ATOM 1332 CA GLY A 201 -12.923 5.312 44.564 1.00 73.36 C +ATOM 1333 C GLY A 201 -13.404 4.553 43.322 1.00 73.22 C +ATOM 1334 O GLY A 201 -13.567 3.342 43.330 1.00 71.38 O +ATOM 1335 N LYS A 202 -13.665 5.295 42.237 1.00 71.77 N +ATOM 1336 CA LYS A 202 -13.995 4.662 40.952 1.00 73.91 C +ATOM 1337 C LYS A 202 -12.724 4.102 40.315 1.00 73.96 C +ATOM 1338 O LYS A 202 -11.697 4.766 40.347 1.00 71.89 O +ATOM 1339 CB LYS A 202 -14.663 5.661 39.999 1.00 70.40 C +ATOM 1340 CG LYS A 202 -16.034 6.133 40.512 1.00 65.04 C +ATOM 1341 CD LYS A 202 -16.647 7.092 39.494 1.00 62.47 C +ATOM 1342 CE LYS A 202 -18.007 7.589 40.000 1.00 58.06 C +ATOM 1343 NZ LYS A 202 -18.607 8.531 39.039 1.00 51.75 N +ATOM 1344 N ASP A 203 -12.857 2.951 39.636 1.00 72.53 N +ATOM 1345 CA ASP A 203 -11.774 2.377 38.847 1.00 74.57 C +ATOM 1346 C ASP A 203 -11.259 3.382 37.810 1.00 74.10 C +ATOM 1347 O ASP A 203 -12.008 4.218 37.273 1.00 70.23 O +ATOM 1348 CB ASP A 203 -12.232 1.078 38.164 1.00 70.99 C +ATOM 1349 CG ASP A 203 -12.679 -0.008 39.153 1.00 67.07 C +ATOM 1350 OD1 ASP A 203 -12.195 0.017 40.310 1.00 63.97 O +ATOM 1351 OD2 ASP A 203 -13.545 -0.806 38.761 1.00 62.17 O +ATOM 1352 N GLY A 204 -9.956 3.303 37.543 1.00 72.46 N +ATOM 1353 CA GLY A 204 -9.324 4.069 36.471 1.00 72.14 C +ATOM 1354 C GLY A 204 -9.915 3.718 35.099 1.00 72.23 C +ATOM 1355 O GLY A 204 -10.382 2.609 34.863 1.00 70.44 O +ATOM 1356 N GLN A 205 -9.906 4.684 34.177 1.00 69.90 N +ATOM 1357 CA GLN A 205 -10.338 4.429 32.796 1.00 72.04 C +ATOM 1358 C GLN A 205 -9.261 3.632 32.047 1.00 71.70 C +ATOM 1359 O GLN A 205 -8.072 3.896 32.199 1.00 69.07 O +ATOM 1360 CB GLN A 205 -10.654 5.730 32.060 1.00 69.28 C +ATOM 1361 CG GLN A 205 -11.885 6.440 32.657 1.00 64.93 C +ATOM 1362 CD GLN A 205 -12.269 7.715 31.913 1.00 60.43 C +ATOM 1363 OE1 GLN A 205 -11.587 8.245 31.047 1.00 58.64 O +ATOM 1364 NE2 GLN A 205 -13.401 8.296 32.245 1.00 54.72 N +ATOM 1365 N ASP A 206 -9.701 2.711 31.174 1.00 73.36 N +ATOM 1366 CA ASP A 206 -8.798 1.990 30.284 1.00 75.65 C +ATOM 1367 C ASP A 206 -7.985 2.960 29.408 1.00 75.11 C +ATOM 1368 O ASP A 206 -8.455 4.028 28.990 1.00 70.36 O +ATOM 1369 CB ASP A 206 -9.574 1.003 29.398 1.00 72.03 C +ATOM 1370 CG ASP A 206 -10.227 -0.135 30.182 1.00 68.49 C +ATOM 1371 OD1 ASP A 206 -9.688 -0.488 31.254 1.00 65.29 O +ATOM 1372 OD2 ASP A 206 -11.253 -0.648 29.679 1.00 63.39 O +ATOM 1373 N GLY A 207 -6.743 2.572 29.116 1.00 71.04 N +ATOM 1374 CA GLY A 207 -5.896 3.299 28.183 1.00 70.97 C +ATOM 1375 C GLY A 207 -6.501 3.343 26.780 1.00 71.01 C +ATOM 1376 O GLY A 207 -7.176 2.421 26.337 1.00 69.19 O +ATOM 1377 N LYS A 208 -6.238 4.433 26.052 1.00 71.05 N +ATOM 1378 CA LYS A 208 -6.675 4.547 24.655 1.00 75.10 C +ATOM 1379 C LYS A 208 -5.847 3.608 23.770 1.00 75.57 C +ATOM 1380 O LYS A 208 -4.645 3.467 23.962 1.00 73.58 O +ATOM 1381 CB LYS A 208 -6.581 5.991 24.159 1.00 71.50 C +ATOM 1382 CG LYS A 208 -7.557 6.916 24.892 1.00 66.88 C +ATOM 1383 CD LYS A 208 -7.481 8.337 24.331 1.00 63.96 C +ATOM 1384 CE LYS A 208 -8.445 9.254 25.096 1.00 59.28 C +ATOM 1385 NZ LYS A 208 -8.389 10.641 24.597 1.00 52.73 N +ATOM 1386 N ASP A 209 -6.508 3.042 22.763 1.00 73.14 N +ATOM 1387 CA ASP A 209 -5.828 2.274 21.724 1.00 75.18 C +ATOM 1388 C ASP A 209 -4.718 3.090 21.047 1.00 74.81 C +ATOM 1389 O ASP A 209 -4.865 4.290 20.797 1.00 70.48 O +ATOM 1390 CB ASP A 209 -6.840 1.818 20.671 1.00 71.58 C +ATOM 1391 CG ASP A 209 -7.741 0.667 21.104 1.00 68.44 C +ATOM 1392 OD1 ASP A 209 -7.405 -0.023 22.090 1.00 65.00 O +ATOM 1393 OD2 ASP A 209 -8.666 0.372 20.318 1.00 62.68 O +ATOM 1394 N GLY A 210 -3.615 2.415 20.714 1.00 71.98 N +ATOM 1395 CA GLY A 210 -2.561 2.997 19.893 1.00 72.02 C +ATOM 1396 C GLY A 210 -3.074 3.382 18.502 1.00 72.36 C +ATOM 1397 O GLY A 210 -3.974 2.759 17.949 1.00 70.22 O +ATOM 1398 N LEU A 211 -2.475 4.432 17.935 1.00 66.34 N +ATOM 1399 CA LEU A 211 -2.786 4.848 16.568 1.00 70.69 C +ATOM 1400 C LEU A 211 -2.352 3.757 15.563 1.00 70.42 C +ATOM 1401 O LEU A 211 -1.344 3.087 15.806 1.00 69.50 O +ATOM 1402 CB LEU A 211 -2.125 6.199 16.254 1.00 68.78 C +ATOM 1403 CG LEU A 211 -2.653 7.379 17.088 1.00 64.81 C +ATOM 1404 CD1 LEU A 211 -1.850 8.641 16.769 1.00 61.91 C +ATOM 1405 CD2 LEU A 211 -4.132 7.676 16.815 1.00 60.34 C +ATOM 1406 N PRO A 212 -3.061 3.610 14.428 1.00 72.51 N +ATOM 1407 CA PRO A 212 -2.620 2.747 13.339 1.00 75.31 C +ATOM 1408 C PRO A 212 -1.188 3.084 12.906 1.00 74.67 C +ATOM 1409 O PRO A 212 -0.779 4.247 12.921 1.00 72.06 O +ATOM 1410 CB PRO A 212 -3.617 2.961 12.190 1.00 73.82 C +ATOM 1411 CG PRO A 212 -4.878 3.437 12.899 1.00 71.45 C +ATOM 1412 CD PRO A 212 -4.340 4.236 14.089 1.00 73.72 C +ATOM 1413 N GLY A 213 -0.431 2.055 12.517 1.00 75.73 N +ATOM 1414 CA GLY A 213 0.870 2.237 11.882 1.00 76.04 C +ATOM 1415 C GLY A 213 0.752 3.027 10.576 1.00 75.99 C +ATOM 1416 O GLY A 213 -0.307 3.072 9.958 1.00 74.69 O +ATOM 1417 N LYS A 214 1.839 3.674 10.169 1.00 73.85 N +ATOM 1418 CA LYS A 214 1.895 4.362 8.872 1.00 76.11 C +ATOM 1419 C LYS A 214 1.980 3.338 7.745 1.00 76.28 C +ATOM 1420 O LYS A 214 2.676 2.338 7.900 1.00 74.68 O +ATOM 1421 CB LYS A 214 3.089 5.316 8.803 1.00 72.79 C +ATOM 1422 CG LYS A 214 2.969 6.471 9.807 1.00 68.14 C +ATOM 1423 CD LYS A 214 4.157 7.423 9.668 1.00 65.19 C +ATOM 1424 CE LYS A 214 4.032 8.548 10.690 1.00 60.27 C +ATOM 1425 NZ LYS A 214 5.168 9.484 10.602 1.00 53.81 N +ATOM 1426 N ASP A 215 1.367 3.669 6.596 1.00 75.12 N +ATOM 1427 CA ASP A 215 1.464 2.855 5.393 1.00 76.45 C +ATOM 1428 C ASP A 215 2.927 2.591 5.024 1.00 76.01 C +ATOM 1429 O ASP A 215 3.815 3.441 5.191 1.00 72.16 O +ATOM 1430 CB ASP A 215 0.720 3.528 4.219 1.00 73.40 C +ATOM 1431 CG ASP A 215 -0.748 3.863 4.512 1.00 69.99 C +ATOM 1432 OD1 ASP A 215 -1.311 3.292 5.477 1.00 66.18 O +ATOM 1433 OD2 ASP A 215 -1.269 4.783 3.835 1.00 64.28 O +ATOM 1434 N GLY A 216 3.196 1.381 4.525 1.00 76.52 N +ATOM 1435 CA GLY A 216 4.487 1.008 3.985 1.00 76.56 C +ATOM 1436 C GLY A 216 4.869 1.870 2.774 1.00 76.54 C +ATOM 1437 O GLY A 216 4.021 2.355 2.040 1.00 74.90 O +ATOM 1438 N LYS A 217 6.172 2.060 2.562 1.00 73.75 N +ATOM 1439 CA LYS A 217 6.645 2.775 1.363 1.00 76.60 C +ATOM 1440 C LYS A 217 6.444 1.906 0.124 1.00 76.29 C +ATOM 1441 O LYS A 217 6.675 0.704 0.172 1.00 75.05 O +ATOM 1442 CB LYS A 217 8.116 3.169 1.498 1.00 73.62 C +ATOM 1443 CG LYS A 217 8.340 4.199 2.613 1.00 68.70 C +ATOM 1444 CD LYS A 217 9.816 4.590 2.677 1.00 66.00 C +ATOM 1445 CE LYS A 217 10.049 5.587 3.807 1.00 60.65 C +ATOM 1446 NZ LYS A 217 11.477 5.957 3.920 1.00 54.27 N +ATOM 1447 N ASP A 218 6.121 2.562 -1.006 1.00 75.24 N +ATOM 1448 CA ASP A 218 6.037 1.890 -2.302 1.00 76.27 C +ATOM 1449 C ASP A 218 7.334 1.136 -2.632 1.00 75.54 C +ATOM 1450 O ASP A 218 8.447 1.584 -2.325 1.00 71.03 O +ATOM 1451 CB ASP A 218 5.727 2.899 -3.421 1.00 73.45 C +ATOM 1452 CG ASP A 218 4.375 3.586 -3.274 1.00 71.10 C +ATOM 1453 OD1 ASP A 218 3.479 2.982 -2.647 1.00 66.80 O +ATOM 1454 OD2 ASP A 218 4.261 4.723 -3.780 1.00 64.55 O +ATOM 1455 N GLY A 219 7.180 -0.020 -3.287 1.00 77.08 N +ATOM 1456 CA GLY A 219 8.301 -0.780 -3.798 1.00 76.50 C +ATOM 1457 C GLY A 219 9.108 0.009 -4.842 1.00 76.97 C +ATOM 1458 O GLY A 219 8.571 0.817 -5.595 1.00 74.93 O +ATOM 1459 N LEU A 220 10.414 -0.240 -4.891 1.00 67.73 N +ATOM 1460 CA LEU A 220 11.266 0.388 -5.899 1.00 72.19 C +ATOM 1461 C LEU A 220 10.909 -0.127 -7.301 1.00 72.13 C +ATOM 1462 O LEU A 220 10.597 -1.304 -7.456 1.00 70.98 O +ATOM 1463 CB LEU A 220 12.754 0.148 -5.584 1.00 70.45 C +ATOM 1464 CG LEU A 220 13.254 0.820 -4.295 1.00 66.35 C +ATOM 1465 CD1 LEU A 220 14.707 0.421 -4.045 1.00 63.19 C +ATOM 1466 CD2 LEU A 220 13.192 2.346 -4.362 1.00 62.01 C +ATOM 1467 N PRO A 221 11.014 0.731 -8.352 1.00 71.91 N +ATOM 1468 CA PRO A 221 10.842 0.289 -9.730 1.00 74.52 C +ATOM 1469 C PRO A 221 11.773 -0.884 -10.072 1.00 73.09 C +ATOM 1470 O PRO A 221 12.941 -0.896 -9.669 1.00 69.99 O +ATOM 1471 CB PRO A 221 11.136 1.508 -10.602 1.00 73.49 C +ATOM 1472 CG PRO A 221 10.832 2.689 -9.684 1.00 71.67 C +ATOM 1473 CD PRO A 221 11.240 2.171 -8.306 1.00 73.66 C +ATOM 1474 N GLY A 222 11.278 -1.825 -10.858 1.00 75.82 N +ATOM 1475 CA GLY A 222 12.099 -2.898 -11.403 1.00 76.04 C +ATOM 1476 C GLY A 222 13.237 -2.359 -12.272 1.00 76.38 C +ATOM 1477 O GLY A 222 13.141 -1.282 -12.873 1.00 74.62 O +ATOM 1478 N LYS A 223 14.349 -3.111 -12.333 1.00 71.08 N +ATOM 1479 CA LYS A 223 15.494 -2.753 -13.180 1.00 75.01 C +ATOM 1480 C LYS A 223 15.133 -2.939 -14.654 1.00 75.26 C +ATOM 1481 O LYS A 223 14.439 -3.886 -15.008 1.00 73.70 O +ATOM 1482 CB LYS A 223 16.733 -3.581 -12.816 1.00 71.75 C +ATOM 1483 CG LYS A 223 17.241 -3.254 -11.399 1.00 66.79 C +ATOM 1484 CD LYS A 223 18.501 -4.063 -11.084 1.00 63.89 C +ATOM 1485 CE LYS A 223 18.961 -3.740 -9.658 1.00 58.89 C +ATOM 1486 NZ LYS A 223 20.157 -4.524 -9.260 1.00 52.24 N +ATOM 1487 N ASP A 224 15.660 -2.057 -15.510 1.00 71.24 N +ATOM 1488 CA ASP A 224 15.513 -2.200 -16.947 1.00 73.57 C +ATOM 1489 C ASP A 224 16.090 -3.535 -17.438 1.00 72.12 C +ATOM 1490 O ASP A 224 17.132 -3.995 -16.959 1.00 67.74 O +ATOM 1491 CB ASP A 224 16.189 -1.037 -17.672 1.00 70.71 C +ATOM 1492 CG ASP A 224 15.480 0.318 -17.491 1.00 67.27 C +ATOM 1493 OD1 ASP A 224 14.280 0.318 -17.126 1.00 62.99 O +ATOM 1494 OD2 ASP A 224 16.120 1.331 -17.808 1.00 61.61 O +ATOM 1495 N GLY A 225 15.423 -4.149 -18.394 1.00 76.04 N +ATOM 1496 CA GLY A 225 15.929 -5.323 -19.089 1.00 76.27 C +ATOM 1497 C GLY A 225 17.219 -5.009 -19.860 1.00 76.53 C +ATOM 1498 O GLY A 225 17.441 -3.881 -20.300 1.00 73.95 O +ATOM 1499 N LYS A 226 18.069 -6.017 -20.026 1.00 71.75 N +ATOM 1500 CA LYS A 226 19.295 -5.873 -20.820 1.00 75.21 C +ATOM 1501 C LYS A 226 18.954 -5.738 -22.303 1.00 75.26 C +ATOM 1502 O LYS A 226 18.059 -6.424 -22.788 1.00 73.50 O +ATOM 1503 CB LYS A 226 20.252 -7.056 -20.599 1.00 71.75 C +ATOM 1504 CG LYS A 226 20.789 -7.117 -19.162 1.00 65.93 C +ATOM 1505 CD LYS A 226 21.765 -8.289 -19.018 1.00 63.30 C +ATOM 1506 CE LYS A 226 22.291 -8.369 -17.583 1.00 58.63 C +ATOM 1507 NZ LYS A 226 23.211 -9.518 -17.400 1.00 52.50 N +ATOM 1508 N ASP A 227 19.712 -4.894 -23.016 1.00 70.10 N +ATOM 1509 CA ASP A 227 19.571 -4.772 -24.463 1.00 72.26 C +ATOM 1510 C ASP A 227 19.813 -6.123 -25.151 1.00 70.40 C +ATOM 1511 O ASP A 227 20.656 -6.922 -24.740 1.00 65.97 O +ATOM 1512 CB ASP A 227 20.519 -3.693 -25.005 1.00 69.39 C +ATOM 1513 CG ASP A 227 20.209 -2.280 -24.487 1.00 65.72 C +ATOM 1514 OD1 ASP A 227 19.036 -2.022 -24.130 1.00 61.74 O +ATOM 1515 OD2 ASP A 227 21.153 -1.472 -24.443 1.00 59.31 O +ATOM 1516 N GLY A 228 19.061 -6.378 -26.220 1.00 74.39 N +ATOM 1517 CA GLY A 228 19.262 -7.550 -27.058 1.00 74.64 C +ATOM 1518 C GLY A 228 20.646 -7.543 -27.713 1.00 75.04 C +ATOM 1519 O GLY A 228 21.183 -6.493 -28.073 1.00 71.88 O +ATOM 1520 N GLN A 229 21.237 -8.724 -27.863 1.00 63.91 N +ATOM 1521 CA GLN A 229 22.524 -8.839 -28.553 1.00 67.74 C +ATOM 1522 C GLN A 229 22.345 -8.621 -30.064 1.00 66.30 C +ATOM 1523 O GLN A 229 21.350 -9.076 -30.624 1.00 64.99 O +ATOM 1524 CB GLN A 229 23.194 -10.187 -28.268 1.00 66.25 C +ATOM 1525 CG GLN A 229 23.642 -10.295 -26.805 1.00 62.17 C +ATOM 1526 CD GLN A 229 24.454 -11.553 -26.512 1.00 57.88 C +ATOM 1527 OE1 GLN A 229 24.630 -12.446 -27.329 1.00 56.42 O +ATOM 1528 NE2 GLN A 229 24.988 -11.680 -25.320 1.00 52.72 N +ATOM 1529 N PRO A 230 23.333 -7.969 -30.748 1.00 66.01 N +ATOM 1530 CA PRO A 230 23.326 -7.865 -32.199 1.00 67.69 C +ATOM 1531 C PRO A 230 23.236 -9.245 -32.869 1.00 63.74 C +ATOM 1532 O PRO A 230 23.853 -10.209 -32.411 1.00 61.07 O +ATOM 1533 CB PRO A 230 24.627 -7.148 -32.582 1.00 67.82 C +ATOM 1534 CG PRO A 230 24.982 -6.366 -31.322 1.00 64.99 C +ATOM 1535 CD PRO A 230 24.479 -7.255 -30.192 1.00 67.13 C +ATOM 1536 N GLY A 231 22.497 -9.317 -33.967 1.00 68.24 N +ATOM 1537 CA GLY A 231 22.452 -10.524 -34.786 1.00 68.40 C +ATOM 1538 C GLY A 231 23.846 -10.920 -35.284 1.00 68.06 C +ATOM 1539 O GLY A 231 24.684 -10.065 -35.570 1.00 65.07 O +ATOM 1540 N LYS A 232 24.093 -12.225 -35.389 1.00 61.78 N +ATOM 1541 CA LYS A 232 25.361 -12.718 -35.922 1.00 66.82 C +ATOM 1542 C LYS A 232 25.473 -12.373 -37.410 1.00 65.14 C +ATOM 1543 O LYS A 232 24.483 -12.510 -38.124 1.00 63.78 O +ATOM 1544 CB LYS A 232 25.525 -14.232 -35.701 1.00 64.45 C +ATOM 1545 CG LYS A 232 25.675 -14.581 -34.215 1.00 59.76 C +ATOM 1546 CD LYS A 232 25.908 -16.095 -34.020 1.00 58.02 C +ATOM 1547 CE LYS A 232 26.029 -16.398 -32.521 1.00 53.72 C +ATOM 1548 NZ LYS A 232 26.217 -17.848 -32.267 1.00 48.61 N +ATOM 1549 N PRO A 233 26.669 -11.969 -37.887 1.00 62.19 N +ATOM 1550 CA PRO A 233 26.891 -11.769 -39.310 1.00 63.47 C +ATOM 1551 C PRO A 233 26.538 -13.030 -40.117 1.00 59.22 C +ATOM 1552 O PRO A 233 26.880 -14.140 -39.695 1.00 56.37 O +ATOM 1553 CB PRO A 233 28.372 -11.418 -39.455 1.00 63.79 C +ATOM 1554 CG PRO A 233 28.754 -10.872 -38.087 1.00 61.77 C +ATOM 1555 CD PRO A 233 27.880 -11.669 -37.130 1.00 63.81 C +ATOM 1556 N GLY A 234 25.915 -12.831 -41.271 1.00 61.50 N +ATOM 1557 CA GLY A 234 25.705 -13.923 -42.210 1.00 61.13 C +ATOM 1558 C GLY A 234 27.032 -14.584 -42.598 1.00 58.98 C +ATOM 1559 O GLY A 234 28.060 -13.912 -42.726 1.00 55.53 O +ATOM 1560 N LYS A 235 27.026 -15.911 -42.754 1.00 62.79 N +ATOM 1561 CA LYS A 235 28.190 -16.676 -43.226 1.00 67.57 C +ATOM 1562 C LYS A 235 28.275 -16.567 -44.751 1.00 62.12 C +ATOM 1563 O LYS A 235 27.243 -16.500 -45.406 1.00 58.25 O +ATOM 1564 CB LYS A 235 28.122 -18.133 -42.768 1.00 65.11 C +ATOM 1565 CG LYS A 235 28.246 -18.282 -41.247 1.00 59.08 C +ATOM 1566 CD LYS A 235 28.276 -19.764 -40.855 1.00 56.38 C +ATOM 1567 CE LYS A 235 28.413 -19.939 -39.340 1.00 53.63 C +ATOM 1568 NZ LYS A 235 28.469 -21.372 -38.965 1.00 48.16 N +ATOM 1569 N TYR A 236 29.507 -16.516 -45.253 1.00 65.26 N +ATOM 1570 CA TYR A 236 29.808 -16.543 -46.687 1.00 63.70 C +ATOM 1571 C TYR A 236 29.598 -17.934 -47.286 1.00 55.01 C +ATOM 1572 O TYR A 236 29.911 -18.909 -46.573 1.00 50.68 O +ATOM 1573 CB TYR A 236 31.263 -16.129 -46.918 1.00 59.16 C +ATOM 1574 CG TYR A 236 31.571 -14.680 -46.649 1.00 54.71 C +ATOM 1575 CD1 TYR A 236 31.299 -13.710 -47.632 1.00 51.35 C +ATOM 1576 CD2 TYR A 236 32.186 -14.291 -45.439 1.00 51.25 C +ATOM 1577 CE1 TYR A 236 31.646 -12.368 -47.416 1.00 47.22 C +ATOM 1578 CE2 TYR A 236 32.527 -12.944 -45.220 1.00 53.58 C +ATOM 1579 CZ TYR A 236 32.270 -11.989 -46.214 1.00 49.07 C +ATOM 1580 OH TYR A 236 32.607 -10.690 -46.021 1.00 49.96 O +ATOM 1581 OXT TYR A 236 29.168 -17.950 -48.461 1.00 49.21 O +TER 1582 TYR A 236 +END diff --git a/protein_pdb_126.txt b/protein_pdb_126.txt new file mode 100644 index 0000000000000000000000000000000000000000..300f3adbcbca16e2cde4ced6a85b318d8372cd07 --- /dev/null +++ b/protein_pdb_126.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 11.136 -3.544 -10.268 1.00 87.80 N +ATOM 2 CA GLY A 1 10.454 -2.278 -10.443 1.00 88.73 C +ATOM 3 C GLY A 1 10.238 -1.590 -9.126 1.00 89.62 C +ATOM 4 O GLY A 1 10.618 -2.109 -8.076 1.00 87.21 O +ATOM 5 N PRO A 2 9.583 -0.414 -9.118 1.00 89.22 N +ATOM 6 CA PRO A 2 9.352 0.335 -7.894 1.00 89.88 C +ATOM 7 C PRO A 2 8.313 -0.323 -7.003 1.00 90.04 C +ATOM 8 O PRO A 2 7.542 -1.168 -7.442 1.00 88.13 O +ATOM 9 CB PRO A 2 8.870 1.691 -8.397 1.00 86.46 C +ATOM 10 CG PRO A 2 8.244 1.390 -9.704 1.00 83.19 C +ATOM 11 CD PRO A 2 9.062 0.282 -10.295 1.00 84.63 C +HETATM 12 N HYP A 3 8.330 0.067 -5.784 1.00 90.26 N +HETATM 13 CA HYP A 3 7.289 -0.405 -4.842 1.00 86.65 C +HETATM 14 C HYP A 3 5.914 -0.038 -5.318 1.00 91.08 C +HETATM 15 O HYP A 3 5.744 0.980 -6.029 1.00 93.04 O +HETATM 16 CB HYP A 3 7.664 0.391 -3.550 1.00 89.68 C +HETATM 17 CG HYP A 3 9.146 0.635 -3.675 1.00 87.87 C +HETATM 18 CD HYP A 3 9.301 0.918 -5.178 1.00 90.29 C +HETATM 19 OD1 HYP A 3 9.825 -0.549 -3.355 1.00 89.25 O +ATOM 20 N GLY A 4 4.976 -0.882 -4.993 1.00 92.02 N +ATOM 21 CA GLY A 4 3.611 -0.608 -5.335 1.00 91.29 C +ATOM 22 C GLY A 4 3.094 0.596 -4.572 1.00 92.01 C +ATOM 23 O GLY A 4 3.749 1.106 -3.662 1.00 92.50 O +ATOM 24 N PRO A 5 1.906 1.048 -4.929 1.00 91.82 N +ATOM 25 CA PRO A 5 1.328 2.206 -4.262 1.00 91.58 C +ATOM 26 C PRO A 5 0.875 1.868 -2.851 1.00 91.63 C +ATOM 27 O PRO A 5 0.691 0.709 -2.502 1.00 91.07 O +ATOM 28 CB PRO A 5 0.149 2.566 -5.154 1.00 89.46 C +ATOM 29 CG PRO A 5 -0.251 1.271 -5.763 1.00 87.61 C +ATOM 30 CD PRO A 5 1.028 0.525 -5.977 1.00 89.90 C +HETATM 31 N HYP A 6 0.716 2.913 -2.064 1.00 92.78 N +HETATM 32 CA HYP A 6 0.194 2.726 -0.725 1.00 93.45 C +HETATM 33 C HYP A 6 -1.187 2.115 -0.750 1.00 94.28 C +HETATM 34 O HYP A 6 -1.968 2.360 -1.711 1.00 93.65 O +HETATM 35 CB HYP A 6 0.150 4.199 -0.210 1.00 91.05 C +HETATM 36 CG HYP A 6 1.234 4.895 -0.992 1.00 90.10 C +HETATM 37 CD HYP A 6 1.090 4.281 -2.366 1.00 91.95 C +HETATM 38 OD1 HYP A 6 2.491 4.553 -0.454 1.00 89.91 O +ATOM 39 N GLY A 7 -1.448 1.305 0.229 1.00 92.61 N +ATOM 40 CA GLY A 7 -2.751 0.712 0.351 1.00 91.66 C +ATOM 41 C GLY A 7 -3.805 1.759 0.640 1.00 92.03 C +ATOM 42 O GLY A 7 -3.502 2.934 0.846 1.00 92.08 O +ATOM 43 N PRO A 8 -5.053 1.332 0.649 1.00 93.61 N +ATOM 44 CA PRO A 8 -6.138 2.271 0.903 1.00 93.25 C +ATOM 45 C PRO A 8 -6.174 2.704 2.358 1.00 93.41 C +ATOM 46 O PRO A 8 -5.688 2.020 3.245 1.00 92.03 O +ATOM 47 CB PRO A 8 -7.383 1.475 0.535 1.00 90.65 C +ATOM 48 CG PRO A 8 -6.995 0.068 0.815 1.00 89.30 C +ATOM 49 CD PRO A 8 -5.537 -0.026 0.436 1.00 91.02 C +HETATM 50 N HYP A 9 -6.768 3.836 2.575 1.00 91.55 N +HETATM 51 CA HYP A 9 -6.933 4.337 3.912 1.00 91.07 C +HETATM 52 C HYP A 9 -7.902 3.444 4.682 1.00 92.27 C +HETATM 53 O HYP A 9 -8.807 2.832 4.080 1.00 92.69 O +HETATM 54 CB HYP A 9 -7.627 5.725 3.658 1.00 89.39 C +HETATM 55 CG HYP A 9 -7.252 6.096 2.269 1.00 87.67 C +HETATM 56 CD HYP A 9 -7.205 4.810 1.541 1.00 91.65 C +HETATM 57 OD1 HYP A 9 -5.951 6.655 2.272 1.00 87.58 O +ATOM 58 N GLY A 10 -7.719 3.308 5.939 1.00 92.91 N +ATOM 59 CA GLY A 10 -8.738 2.732 6.779 1.00 91.23 C +ATOM 60 C GLY A 10 -9.914 3.686 6.854 1.00 92.17 C +ATOM 61 O GLY A 10 -9.867 4.791 6.310 1.00 91.05 O +ATOM 62 N LEU A 11 -10.963 3.272 7.535 1.00 91.74 N +ATOM 63 CA LEU A 11 -12.124 4.157 7.624 1.00 93.29 C +ATOM 64 C LEU A 11 -11.742 5.528 8.155 1.00 93.28 C +ATOM 65 O LEU A 11 -12.254 6.539 7.681 1.00 91.37 O +ATOM 66 CB LEU A 11 -13.202 3.534 8.509 1.00 92.40 C +ATOM 67 CG LEU A 11 -13.919 2.331 7.921 1.00 87.54 C +ATOM 68 CD1 LEU A 11 -14.957 1.832 8.900 1.00 84.43 C +ATOM 69 CD2 LEU A 11 -14.568 2.659 6.588 1.00 82.26 C +ATOM 70 N ARG A 12 -10.854 5.554 9.124 1.00 93.86 N +ATOM 71 CA ARG A 12 -10.324 6.795 9.672 1.00 94.29 C +ATOM 72 C ARG A 12 -8.838 6.658 9.953 1.00 94.26 C +ATOM 73 O ARG A 12 -8.318 7.239 10.902 1.00 91.72 O +ATOM 74 CB ARG A 12 -11.062 7.191 10.959 1.00 91.63 C +ATOM 75 CG ARG A 12 -12.564 7.364 10.777 1.00 85.74 C +ATOM 76 CD ARG A 12 -12.912 8.490 9.818 1.00 81.37 C +ATOM 77 NE ARG A 12 -12.672 9.800 10.387 1.00 77.86 N +ATOM 78 CZ ARG A 12 -13.616 10.599 10.863 1.00 73.59 C +ATOM 79 NH1 ARG A 12 -14.888 10.240 10.810 1.00 71.79 N +ATOM 80 NH2 ARG A 12 -13.297 11.769 11.378 1.00 68.13 N +ATOM 81 N GLY A 13 -8.152 5.857 9.133 1.00 94.91 N +ATOM 82 CA GLY A 13 -6.763 5.542 9.388 1.00 94.12 C +ATOM 83 C GLY A 13 -5.851 5.850 8.225 1.00 94.23 C +ATOM 84 O GLY A 13 -6.295 6.294 7.164 1.00 93.92 O +ATOM 85 N PRO A 14 -4.570 5.625 8.434 1.00 94.24 N +ATOM 86 CA PRO A 14 -3.579 5.914 7.416 1.00 93.98 C +ATOM 87 C PRO A 14 -3.625 4.919 6.269 1.00 94.10 C +ATOM 88 O PRO A 14 -4.206 3.847 6.383 1.00 93.18 O +ATOM 89 CB PRO A 14 -2.259 5.811 8.167 1.00 92.45 C +ATOM 90 CG PRO A 14 -2.534 4.798 9.223 1.00 91.49 C +ATOM 91 CD PRO A 14 -3.959 5.054 9.636 1.00 92.32 C +HETATM 92 N HYP A 15 -2.988 5.313 5.219 1.00 93.58 N +HETATM 93 CA HYP A 15 -2.822 4.404 4.093 1.00 92.77 C +HETATM 94 C HYP A 15 -2.063 3.177 4.468 1.00 94.18 C +HETATM 95 O HYP A 15 -1.238 3.240 5.420 1.00 94.11 O +HETATM 96 CB HYP A 15 -2.033 5.305 3.111 1.00 90.25 C +HETATM 97 CG HYP A 15 -2.374 6.726 3.528 1.00 89.69 C +HETATM 98 CD HYP A 15 -2.475 6.627 5.028 1.00 92.50 C +HETATM 99 OD1 HYP A 15 -3.616 7.110 2.982 1.00 90.54 O +ATOM 100 N GLY A 16 -2.331 2.106 3.801 1.00 95.31 N +ATOM 101 CA GLY A 16 -1.579 0.901 4.015 1.00 94.97 C +ATOM 102 C GLY A 16 -0.162 1.051 3.511 1.00 95.30 C +ATOM 103 O GLY A 16 0.198 2.061 2.905 1.00 95.17 O +ATOM 104 N PRO A 17 0.656 0.032 3.767 1.00 94.61 N +ATOM 105 CA PRO A 17 2.043 0.087 3.338 1.00 94.18 C +ATOM 106 C PRO A 17 2.171 -0.043 1.834 1.00 94.71 C +ATOM 107 O PRO A 17 1.279 -0.550 1.163 1.00 94.13 O +ATOM 108 CB PRO A 17 2.681 -1.092 4.062 1.00 92.66 C +ATOM 109 CG PRO A 17 1.560 -2.048 4.237 1.00 91.36 C +ATOM 110 CD PRO A 17 0.338 -1.207 4.464 1.00 92.93 C +HETATM 111 N HYP A 18 3.296 0.423 1.325 1.00 92.87 N +HETATM 112 CA HYP A 18 3.587 0.238 -0.068 1.00 92.75 C +HETATM 113 C HYP A 18 3.628 -1.209 -0.453 1.00 94.28 C +HETATM 114 O HYP A 18 3.968 -2.071 0.384 1.00 94.26 O +HETATM 115 CB HYP A 18 4.992 0.867 -0.190 1.00 91.15 C +HETATM 116 CG HYP A 18 5.039 1.892 0.917 1.00 90.18 C +HETATM 117 CD HYP A 18 4.286 1.200 2.029 1.00 93.26 C +HETATM 118 OD1 HYP A 18 4.335 3.060 0.528 1.00 90.97 O +ATOM 119 N GLY A 19 3.260 -1.497 -1.665 1.00 91.72 N +ATOM 120 CA GLY A 19 3.352 -2.833 -2.173 1.00 90.95 C +ATOM 121 C GLY A 19 4.800 -3.247 -2.338 1.00 91.12 C +ATOM 122 O GLY A 19 5.715 -2.435 -2.215 1.00 91.70 O +ATOM 123 N PRO A 20 5.008 -4.525 -2.620 1.00 91.40 N +ATOM 124 CA PRO A 20 6.365 -5.010 -2.803 1.00 90.69 C +ATOM 125 C PRO A 20 6.969 -4.495 -4.097 1.00 90.72 C +ATOM 126 O PRO A 20 6.260 -4.053 -4.994 1.00 90.66 O +ATOM 127 CB PRO A 20 6.183 -6.527 -2.833 1.00 88.16 C +ATOM 128 CG PRO A 20 4.807 -6.711 -3.338 1.00 85.89 C +ATOM 129 CD PRO A 20 4.007 -5.569 -2.788 1.00 87.97 C +HETATM 130 N HYP A 21 8.282 -4.548 -4.155 1.00 93.05 N +HETATM 131 CA HYP A 21 8.959 -4.188 -5.374 1.00 91.08 C +HETATM 132 C HYP A 21 8.500 -4.972 -6.583 1.00 92.99 C +HETATM 133 O HYP A 21 8.143 -6.155 -6.431 1.00 94.64 O +HETATM 134 CB HYP A 21 10.431 -4.484 -5.062 1.00 90.78 C +HETATM 135 CG HYP A 21 10.536 -4.383 -3.559 1.00 87.62 C +HETATM 136 CD HYP A 21 9.224 -4.930 -3.090 1.00 92.31 C +HETATM 137 OD1 HYP A 21 10.581 -2.996 -3.174 1.00 90.43 O +ATOM 138 N GLY A 22 8.369 -4.336 -7.707 1.00 92.32 N +ATOM 139 CA GLY A 22 7.990 -5.006 -8.919 1.00 90.65 C +ATOM 140 C GLY A 22 9.109 -5.907 -9.410 1.00 90.60 C +ATOM 141 O GLY A 22 10.179 -5.974 -8.810 1.00 90.12 O +ATOM 142 N PRO A 23 8.878 -6.599 -10.516 1.00 93.14 N +ATOM 143 CA PRO A 23 9.912 -7.468 -11.058 1.00 92.65 C +ATOM 144 C PRO A 23 11.105 -6.653 -11.510 1.00 91.94 C +ATOM 145 O PRO A 23 10.980 -5.488 -11.870 1.00 89.23 O +ATOM 146 CB PRO A 23 9.213 -8.164 -12.225 1.00 89.78 C +ATOM 147 CG PRO A 23 8.129 -7.233 -12.612 1.00 87.91 C +ATOM 148 CD PRO A 23 7.677 -6.578 -11.336 1.00 90.27 C +HETATM 149 N HYP A 24 12.236 -7.177 -11.511 1.00 93.25 N +HETATM 150 CA HYP A 24 13.435 -6.395 -11.817 1.00 87.44 C +HETATM 151 C HYP A 24 13.212 -5.090 -12.460 1.00 91.08 C +HETATM 152 O HYP A 24 14.101 -4.513 -13.112 1.00 87.20 O +HETATM 153 CB HYP A 24 14.370 -7.362 -12.413 1.00 88.14 C +HETATM 154 CG HYP A 24 13.919 -8.718 -11.945 1.00 89.09 C +HETATM 155 CD HYP A 24 12.424 -8.581 -11.688 1.00 91.51 C +HETATM 156 OD1 HYP A 24 14.520 -9.032 -10.697 1.00 88.05 O +HETATM 157 OXT HYP A 24 12.136 -4.563 -12.385 1.00 86.57 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_127.txt b/protein_pdb_127.txt new file mode 100644 index 0000000000000000000000000000000000000000..c0e98ae7370dccc5316961a8a6c3fa224732a115 --- /dev/null +++ b/protein_pdb_127.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 3.687 0.703 -5.726 1.00 79.44 N +ATOM 2 CA GLY A 1 3.542 -0.545 -4.996 1.00 80.54 C +ATOM 3 C GLY A 1 2.090 -0.832 -4.697 1.00 80.62 C +ATOM 4 O GLY A 1 1.212 -0.045 -5.035 1.00 76.93 O +ATOM 5 N PRO A 2 1.825 -1.965 -4.045 1.00 80.23 N +ATOM 6 CA PRO A 2 0.452 -2.327 -3.713 1.00 81.49 C +ATOM 7 C PRO A 2 -0.115 -1.422 -2.629 1.00 81.51 C +ATOM 8 O PRO A 2 0.621 -0.734 -1.932 1.00 78.97 O +ATOM 9 CB PRO A 2 0.580 -3.768 -3.223 1.00 76.90 C +ATOM 10 CG PRO A 2 1.965 -3.863 -2.709 1.00 73.67 C +ATOM 11 CD PRO A 2 2.787 -2.951 -3.573 1.00 73.05 C +HETATM 12 N HYP A 3 -1.387 -1.418 -2.477 1.00 78.25 N +HETATM 13 CA HYP A 3 -2.055 -0.670 -1.457 1.00 79.85 C +HETATM 14 C HYP A 3 -1.513 -1.057 -0.045 1.00 78.09 C +HETATM 15 O HYP A 3 -1.121 -2.220 0.188 1.00 82.76 O +HETATM 16 CB HYP A 3 -3.511 -1.130 -1.634 1.00 79.49 C +HETATM 17 CG HYP A 3 -3.623 -1.471 -3.106 1.00 77.25 C +HETATM 18 CD HYP A 3 -2.327 -2.140 -3.355 1.00 80.27 C +HETATM 19 OD1 HYP A 3 -3.727 -0.297 -3.885 1.00 79.26 O +ATOM 20 N GLY A 4 -1.430 -0.075 0.778 1.00 82.60 N +ATOM 21 CA GLY A 4 -0.964 -0.319 2.113 1.00 81.38 C +ATOM 22 C GLY A 4 -1.977 -1.103 2.921 1.00 80.81 C +ATOM 23 O GLY A 4 -3.076 -1.393 2.450 1.00 80.60 O +ATOM 24 N PRO A 5 -1.599 -1.436 4.136 1.00 83.70 N +ATOM 25 CA PRO A 5 -2.527 -2.157 4.997 1.00 82.86 C +ATOM 26 C PRO A 5 -3.687 -1.262 5.395 1.00 83.54 C +ATOM 27 O PRO A 5 -3.586 -0.044 5.353 1.00 82.51 O +ATOM 28 CB PRO A 5 -1.672 -2.540 6.199 1.00 79.05 C +ATOM 29 CG PRO A 5 -0.586 -1.521 6.220 1.00 78.19 C +ATOM 30 CD PRO A 5 -0.334 -1.154 4.787 1.00 78.73 C +HETATM 31 N HYP A 6 -4.770 -1.881 5.807 1.00 80.56 N +HETATM 32 CA HYP A 6 -5.888 -1.153 6.276 1.00 84.56 C +HETATM 33 C HYP A 6 -5.553 -0.309 7.517 1.00 81.69 C +HETATM 34 O HYP A 6 -4.756 -0.711 8.367 1.00 84.93 O +HETATM 35 CB HYP A 6 -6.905 -2.246 6.602 1.00 81.69 C +HETATM 36 CG HYP A 6 -6.562 -3.335 5.622 1.00 79.50 C +HETATM 37 CD HYP A 6 -5.068 -3.281 5.614 1.00 83.81 C +HETATM 38 OD1 HYP A 6 -7.066 -3.046 4.354 1.00 81.21 O +ATOM 39 N GLY A 7 -6.053 0.910 7.505 1.00 81.90 N +ATOM 40 CA GLY A 7 -5.839 1.804 8.615 1.00 79.56 C +ATOM 41 C GLY A 7 -6.763 1.462 9.771 1.00 79.52 C +ATOM 42 O GLY A 7 -7.389 0.401 9.789 1.00 79.87 O +ATOM 43 N PRO A 8 -6.870 2.376 10.721 1.00 84.20 N +ATOM 44 CA PRO A 8 -7.796 2.169 11.832 1.00 84.66 C +ATOM 45 C PRO A 8 -9.216 1.963 11.321 1.00 85.03 C +ATOM 46 O PRO A 8 -9.541 2.370 10.204 1.00 84.26 O +ATOM 47 CB PRO A 8 -7.682 3.456 12.641 1.00 81.29 C +ATOM 48 CG PRO A 8 -6.343 3.995 12.278 1.00 80.83 C +ATOM 49 CD PRO A 8 -6.146 3.629 10.840 1.00 82.03 C +HETATM 50 N HYP A 9 -10.057 1.296 12.165 1.00 81.25 N +HETATM 51 CA HYP A 9 -11.425 1.111 11.787 1.00 82.49 C +HETATM 52 C HYP A 9 -12.018 2.217 11.116 1.00 77.65 C +HETATM 53 O HYP A 9 -11.980 3.375 11.597 1.00 78.49 O +HETATM 54 CB HYP A 9 -12.017 0.507 13.065 1.00 81.33 C +HETATM 55 CG HYP A 9 -10.841 -0.303 13.650 1.00 77.49 C +HETATM 56 CD HYP A 9 -9.683 0.553 13.357 1.00 80.60 C +HETATM 57 OD1 HYP A 9 -10.669 -1.538 13.000 1.00 78.49 O +ATOM 58 N GLY A 10 -12.568 2.006 9.833 1.00 80.36 N +ATOM 59 CA GLY A 10 -13.271 2.975 9.028 1.00 77.89 C +ATOM 60 C GLY A 10 -12.391 3.936 8.252 1.00 77.91 C +ATOM 61 O GLY A 10 -12.908 4.775 7.520 1.00 76.44 O +ATOM 62 N VAL A 11 -11.071 3.842 8.372 1.00 78.49 N +ATOM 63 CA VAL A 11 -10.131 4.746 7.720 1.00 80.20 C +ATOM 64 C VAL A 11 -9.104 3.908 6.973 1.00 79.96 C +ATOM 65 O VAL A 11 -8.448 3.048 7.556 1.00 78.44 O +ATOM 66 CB VAL A 11 -9.429 5.655 8.744 1.00 78.26 C +ATOM 67 CG1 VAL A 11 -8.463 6.595 8.038 1.00 72.27 C +ATOM 68 CG2 VAL A 11 -10.448 6.451 9.545 1.00 72.59 C +ATOM 69 N ARG A 12 -8.950 4.159 5.684 1.00 82.29 N +ATOM 70 CA ARG A 12 -7.970 3.445 4.881 1.00 82.31 C +ATOM 71 C ARG A 12 -6.567 3.759 5.365 1.00 81.57 C +ATOM 72 O ARG A 12 -6.264 4.894 5.740 1.00 77.05 O +ATOM 73 CB ARG A 12 -8.126 3.836 3.405 1.00 76.83 C +ATOM 74 CG ARG A 12 -7.201 3.071 2.478 1.00 70.32 C +ATOM 75 CD ARG A 12 -7.477 3.379 1.029 1.00 66.80 C +ATOM 76 NE ARG A 12 -8.737 2.795 0.584 1.00 65.62 N +ATOM 77 CZ ARG A 12 -9.148 2.761 -0.672 1.00 61.37 C +ATOM 78 NH1 ARG A 12 -8.408 3.280 -1.637 1.00 59.66 N +ATOM 79 NH2 ARG A 12 -10.302 2.199 -0.972 1.00 55.06 N +ATOM 80 N GLY A 13 -5.708 2.747 5.320 1.00 86.10 N +ATOM 81 CA GLY A 13 -4.325 2.922 5.725 1.00 84.04 C +ATOM 82 C GLY A 13 -3.510 3.690 4.714 1.00 84.54 C +ATOM 83 O GLY A 13 -4.007 4.078 3.650 1.00 84.41 O +ATOM 84 N PRO A 14 -2.239 3.928 5.031 1.00 80.02 N +ATOM 85 CA PRO A 14 -1.356 4.645 4.120 1.00 80.45 C +ATOM 86 C PRO A 14 -1.044 3.803 2.891 1.00 80.62 C +ATOM 87 O PRO A 14 -1.228 2.594 2.888 1.00 78.30 O +ATOM 88 CB PRO A 14 -0.102 4.892 4.954 1.00 77.25 C +ATOM 89 CG PRO A 14 -0.093 3.775 5.936 1.00 76.85 C +ATOM 90 CD PRO A 14 -1.533 3.503 6.248 1.00 76.27 C +HETATM 91 N HYP A 15 -0.531 4.433 1.895 1.00 78.45 N +HETATM 92 CA HYP A 15 -0.111 3.769 0.689 1.00 74.95 C +HETATM 93 C HYP A 15 0.971 2.715 1.000 1.00 74.87 C +HETATM 94 O HYP A 15 1.730 2.879 1.977 1.00 81.60 O +HETATM 95 CB HYP A 15 0.401 4.946 -0.138 1.00 74.22 C +HETATM 96 CG HYP A 15 -0.406 6.128 0.367 1.00 75.56 C +HETATM 97 CD HYP A 15 -0.501 5.866 1.822 1.00 80.07 C +HETATM 98 OD1 HYP A 15 -1.689 6.137 -0.218 1.00 80.81 O +ATOM 99 N GLY A 16 0.959 1.691 0.234 1.00 78.02 N +ATOM 100 CA GLY A 16 1.953 0.667 0.413 1.00 76.25 C +ATOM 101 C GLY A 16 3.321 1.145 -0.018 1.00 75.94 C +ATOM 102 O GLY A 16 3.486 2.259 -0.523 1.00 77.07 O +ATOM 103 N PRO A 17 4.333 0.286 0.181 1.00 74.13 N +ATOM 104 CA PRO A 17 5.681 0.651 -0.228 1.00 76.88 C +ATOM 105 C PRO A 17 5.772 0.792 -1.739 1.00 75.93 C +ATOM 106 O PRO A 17 4.999 0.196 -2.475 1.00 77.10 O +ATOM 107 CB PRO A 17 6.552 -0.505 0.267 1.00 75.55 C +ATOM 108 CG PRO A 17 5.643 -1.539 0.763 1.00 73.93 C +ATOM 109 CD PRO A 17 4.240 -1.043 0.772 1.00 73.17 C +HETATM 110 N HYP A 18 6.731 1.552 -2.190 1.00 78.88 N +HETATM 111 CA HYP A 18 6.956 1.692 -3.600 1.00 81.59 C +HETATM 112 C HYP A 18 7.247 0.347 -4.272 1.00 74.09 C +HETATM 113 O HYP A 18 7.802 -0.561 -3.623 1.00 83.32 O +HETATM 114 CB HYP A 18 8.163 2.596 -3.650 1.00 74.49 C +HETATM 115 CG HYP A 18 8.075 3.433 -2.404 1.00 75.60 C +HETATM 116 CD HYP A 18 7.554 2.453 -1.404 1.00 81.93 C +HETATM 117 OD1 HYP A 18 7.154 4.490 -2.585 1.00 81.29 O +ATOM 118 N GLY A 19 6.797 0.202 -5.500 1.00 74.23 N +ATOM 119 CA GLY A 19 7.082 -0.985 -6.257 1.00 72.49 C +ATOM 120 C GLY A 19 8.551 -1.060 -6.626 1.00 71.80 C +ATOM 121 O GLY A 19 9.309 -0.116 -6.404 1.00 73.01 O +ATOM 122 N PRO A 20 8.960 -2.189 -7.199 1.00 73.22 N +ATOM 123 CA PRO A 20 10.355 -2.341 -7.617 1.00 75.69 C +ATOM 124 C PRO A 20 10.715 -1.344 -8.701 1.00 74.80 C +ATOM 125 O PRO A 20 9.846 -0.860 -9.421 1.00 76.06 O +ATOM 126 CB PRO A 20 10.413 -3.773 -8.162 1.00 73.01 C +ATOM 127 CG PRO A 20 9.184 -4.432 -7.682 1.00 69.65 C +ATOM 128 CD PRO A 20 8.156 -3.364 -7.471 1.00 68.85 C +HETATM 129 N HYP A 21 11.998 -1.048 -8.815 1.00 78.35 N +HETATM 130 CA HYP A 21 12.453 -0.208 -9.914 1.00 81.59 C +HETATM 131 C HYP A 21 12.097 -0.748 -11.280 1.00 80.28 C +HETATM 132 O HYP A 21 12.052 -1.982 -11.445 1.00 83.12 O +HETATM 133 CB HYP A 21 13.974 -0.232 -9.710 1.00 80.05 C +HETATM 134 CG HYP A 21 14.192 -0.512 -8.219 1.00 78.02 C +HETATM 135 CD HYP A 21 13.065 -1.444 -7.885 1.00 82.60 C +HETATM 136 OD1 HYP A 21 14.028 0.694 -7.451 1.00 83.28 O +ATOM 137 N GLY A 22 11.718 0.085 -12.229 1.00 80.74 N +ATOM 138 CA GLY A 22 11.398 -0.339 -13.565 1.00 79.66 C +ATOM 139 C GLY A 22 12.626 -0.856 -14.296 1.00 79.10 C +ATOM 140 O GLY A 22 13.751 -0.725 -13.813 1.00 79.28 O +ATOM 141 N PRO A 23 12.425 -1.423 -15.476 1.00 78.74 N +ATOM 142 CA PRO A 23 13.556 -1.930 -16.247 1.00 80.97 C +ATOM 143 C PRO A 23 14.402 -0.782 -16.772 1.00 79.80 C +ATOM 144 O PRO A 23 13.916 0.331 -16.954 1.00 77.90 O +ATOM 145 CB PRO A 23 12.898 -2.709 -17.374 1.00 76.62 C +ATOM 146 CG PRO A 23 11.559 -2.078 -17.527 1.00 72.84 C +ATOM 147 CD PRO A 23 11.152 -1.630 -16.149 1.00 73.58 C +HETATM 148 N HYP A 24 15.638 -1.047 -17.080 1.00 86.75 N +HETATM 149 CA HYP A 24 16.465 0.053 -17.585 1.00 81.34 C +HETATM 150 C HYP A 24 15.880 0.627 -18.864 1.00 75.37 C +HETATM 151 O HYP A 24 16.227 1.715 -19.226 1.00 80.64 O +HETATM 152 CB HYP A 24 17.804 -0.697 -17.903 1.00 77.06 C +HETATM 153 CG HYP A 24 17.838 -1.945 -17.100 1.00 76.96 C +HETATM 154 CD HYP A 24 16.372 -2.338 -16.966 1.00 84.25 C +HETATM 155 OD1 HYP A 24 18.363 -1.667 -15.804 1.00 81.46 O +HETATM 156 OXT HYP A 24 15.079 -0.054 -19.519 1.00 82.38 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_128.txt b/protein_pdb_128.txt new file mode 100644 index 0000000000000000000000000000000000000000..2bcbb6d898aec981284a2f4aaea8ab13fcf9eb52 --- /dev/null +++ b/protein_pdb_128.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 21.186 -26.970 4.845 1.00 89.04 N +ATOM 2 CA GLY A 1 21.203 -26.331 3.534 1.00 90.90 C +ATOM 3 C GLY A 1 21.251 -24.825 3.645 1.00 92.30 C +ATOM 4 O GLY A 1 21.149 -24.275 4.742 1.00 89.72 O +ATOM 5 N PRO A 2 21.396 -24.112 2.546 1.00 94.21 N +ATOM 6 CA PRO A 2 21.435 -22.650 2.571 1.00 94.97 C +ATOM 7 C PRO A 2 20.065 -22.067 2.900 1.00 95.51 C +ATOM 8 O PRO A 2 19.041 -22.720 2.735 1.00 93.66 O +ATOM 9 CB PRO A 2 21.874 -22.264 1.158 1.00 92.69 C +ATOM 10 CG PRO A 2 21.404 -23.400 0.321 1.00 90.21 C +ATOM 11 CD PRO A 2 21.521 -24.628 1.184 1.00 92.21 C +HETATM 12 N HYP A 3 20.048 -20.860 3.382 1.00 95.97 N +HETATM 13 CA HYP A 3 18.826 -20.111 3.627 1.00 95.75 C +HETATM 14 C HYP A 3 17.949 -19.979 2.381 1.00 96.17 C +HETATM 15 O HYP A 3 18.464 -19.795 1.269 1.00 95.12 O +HETATM 16 CB HYP A 3 19.290 -18.756 4.087 1.00 95.16 C +HETATM 17 CG HYP A 3 20.669 -18.990 4.633 1.00 94.44 C +HETATM 18 CD HYP A 3 21.212 -20.074 3.704 1.00 95.70 C +HETATM 19 OD1 HYP A 3 20.622 -19.486 5.943 1.00 94.22 O +ATOM 20 N GLY A 4 16.636 -20.087 2.594 1.00 97.24 N +ATOM 21 CA GLY A 4 15.714 -19.913 1.492 1.00 96.95 C +ATOM 22 C GLY A 4 15.659 -18.455 1.056 1.00 97.12 C +ATOM 23 O GLY A 4 16.168 -17.566 1.741 1.00 96.67 O +ATOM 24 N PRO A 5 15.026 -18.192 -0.074 1.00 96.91 N +ATOM 25 CA PRO A 5 14.918 -16.818 -0.561 1.00 96.77 C +ATOM 26 C PRO A 5 13.933 -16.012 0.275 1.00 96.90 C +ATOM 27 O PRO A 5 13.067 -16.562 0.947 1.00 96.34 O +ATOM 28 CB PRO A 5 14.436 -16.986 -2.003 1.00 95.50 C +ATOM 29 CG PRO A 5 13.659 -18.255 -1.963 1.00 94.09 C +ATOM 30 CD PRO A 5 14.374 -19.143 -0.976 1.00 95.91 C +HETATM 31 N HYP A 6 14.047 -14.698 0.245 1.00 97.47 N +HETATM 32 CA HYP A 6 13.057 -13.807 0.853 1.00 96.65 C +HETATM 33 C HYP A 6 11.658 -13.993 0.320 1.00 97.69 C +HETATM 34 O HYP A 6 11.482 -14.299 -0.876 1.00 96.53 O +HETATM 35 CB HYP A 6 13.583 -12.409 0.551 1.00 95.86 C +HETATM 36 CG HYP A 6 15.038 -12.600 0.378 1.00 95.14 C +HETATM 37 CD HYP A 6 15.126 -13.961 -0.293 1.00 96.43 C +HETATM 38 OD1 HYP A 6 15.679 -12.655 1.634 1.00 93.52 O +ATOM 39 N GLY A 7 10.681 -13.792 1.176 1.00 97.41 N +ATOM 40 CA GLY A 7 9.305 -13.882 0.750 1.00 97.26 C +ATOM 41 C GLY A 7 8.946 -12.758 -0.206 1.00 97.50 C +ATOM 42 O GLY A 7 9.722 -11.826 -0.424 1.00 97.14 O +ATOM 43 N PRO A 8 7.748 -12.832 -0.783 1.00 97.10 N +ATOM 44 CA PRO A 8 7.313 -11.796 -1.713 1.00 97.06 C +ATOM 45 C PRO A 8 7.046 -10.474 -1.004 1.00 97.31 C +ATOM 46 O PRO A 8 6.799 -10.439 0.200 1.00 96.81 O +ATOM 47 CB PRO A 8 6.036 -12.371 -2.321 1.00 96.16 C +ATOM 48 CG PRO A 8 5.517 -13.271 -1.259 1.00 95.03 C +ATOM 49 CD PRO A 8 6.732 -13.858 -0.589 1.00 96.44 C +HETATM 50 N HYP A 9 7.074 -9.376 -1.698 1.00 96.98 N +HETATM 51 CA HYP A 9 6.700 -8.073 -1.191 1.00 96.89 C +HETATM 52 C HYP A 9 5.294 -8.044 -0.703 1.00 97.39 C +HETATM 53 O HYP A 9 4.424 -8.733 -1.218 1.00 96.47 O +HETATM 54 CB HYP A 9 6.864 -7.124 -2.407 1.00 95.27 C +HETATM 55 CG HYP A 9 7.900 -7.813 -3.203 1.00 94.68 C +HETATM 56 CD HYP A 9 7.570 -9.263 -3.004 1.00 96.07 C +HETATM 57 OD1 HYP A 9 9.196 -7.563 -2.662 1.00 93.02 O +ATOM 58 N GLY A 10 5.066 -7.239 0.355 1.00 97.50 N +ATOM 59 CA GLY A 10 3.732 -7.071 0.881 1.00 97.25 C +ATOM 60 C GLY A 10 2.814 -6.414 -0.130 1.00 97.56 C +ATOM 61 O GLY A 10 3.252 -5.847 -1.135 1.00 96.95 O +ATOM 62 N THR A 11 1.517 -6.491 0.150 1.00 97.56 N +ATOM 63 CA THR A 11 0.525 -5.875 -0.727 1.00 97.33 C +ATOM 64 C THR A 11 0.539 -4.361 -0.560 1.00 97.57 C +ATOM 65 O THR A 11 0.959 -3.838 0.475 1.00 97.12 O +ATOM 66 CB THR A 11 -0.864 -6.421 -0.436 1.00 96.26 C +ATOM 67 OG1 THR A 11 -1.211 -6.142 0.911 1.00 93.54 O +ATOM 68 CG2 THR A 11 -0.907 -7.918 -0.662 1.00 92.15 C +HETATM 69 N HYP A 12 0.078 -3.613 -1.521 1.00 97.07 N +HETATM 70 CA HYP A 12 -0.061 -2.176 -1.436 1.00 96.98 C +HETATM 71 C HYP A 12 -1.016 -1.764 -0.352 1.00 97.54 C +HETATM 72 O HYP A 12 -1.977 -2.475 -0.039 1.00 96.42 O +HETATM 73 CB HYP A 12 -0.617 -1.759 -2.801 1.00 95.52 C +HETATM 74 CG HYP A 12 -0.107 -2.825 -3.713 1.00 94.13 C +HETATM 75 CD HYP A 12 -0.160 -4.031 -2.860 1.00 95.74 C +HETATM 76 OD1 HYP A 12 1.247 -2.601 -4.075 1.00 92.86 O +ATOM 77 N GLY A 13 -0.720 -0.626 0.272 1.00 97.62 N +ATOM 78 CA GLY A 13 -1.601 -0.092 1.275 1.00 97.47 C +ATOM 79 C GLY A 13 -2.938 0.312 0.678 1.00 97.71 C +ATOM 80 O GLY A 13 -3.106 0.342 -0.548 1.00 97.39 O +ATOM 81 N PRO A 14 -3.909 0.626 1.526 1.00 97.43 N +ATOM 82 CA PRO A 14 -5.224 1.022 1.042 1.00 97.37 C +ATOM 83 C PRO A 14 -5.185 2.396 0.376 1.00 97.52 C +ATOM 84 O PRO A 14 -4.299 3.197 0.639 1.00 97.08 O +ATOM 85 CB PRO A 14 -6.081 1.031 2.304 1.00 96.53 C +ATOM 86 CG PRO A 14 -5.114 1.324 3.389 1.00 95.28 C +ATOM 87 CD PRO A 14 -3.829 0.650 2.989 1.00 96.73 C +HETATM 88 N HYP A 15 -6.127 2.699 -0.466 1.00 97.38 N +HETATM 89 CA HYP A 15 -6.289 4.018 -1.066 1.00 97.05 C +HETATM 90 C HYP A 15 -6.463 5.109 -0.040 1.00 97.55 C +HETATM 91 O HYP A 15 -7.025 4.867 1.032 1.00 96.63 O +HETATM 92 CB HYP A 15 -7.575 3.870 -1.898 1.00 96.10 C +HETATM 93 CG HYP A 15 -7.638 2.400 -2.201 1.00 95.58 C +HETATM 94 CD HYP A 15 -7.100 1.771 -0.952 1.00 96.36 C +HETATM 95 OD1 HYP A 15 -6.792 2.072 -3.295 1.00 94.23 O +ATOM 96 N GLY A 16 -5.958 6.282 -0.313 1.00 97.24 N +ATOM 97 CA GLY A 16 -6.176 7.410 0.557 1.00 96.99 C +ATOM 98 C GLY A 16 -7.647 7.790 0.591 1.00 97.33 C +ATOM 99 O GLY A 16 -8.448 7.321 -0.223 1.00 97.07 O +ATOM 100 N PRO A 17 -8.021 8.655 1.531 1.00 97.02 N +ATOM 101 CA PRO A 17 -9.420 9.065 1.629 1.00 96.86 C +ATOM 102 C PRO A 17 -9.820 9.947 0.453 1.00 96.82 C +ATOM 103 O PRO A 17 -8.980 10.587 -0.170 1.00 96.17 O +ATOM 104 CB PRO A 17 -9.470 9.830 2.950 1.00 95.79 C +ATOM 105 CG PRO A 17 -8.089 10.332 3.131 1.00 94.71 C +ATOM 106 CD PRO A 17 -7.178 9.278 2.547 1.00 96.31 C +HETATM 107 N HYP A 18 -11.088 10.016 0.128 1.00 96.85 N +HETATM 108 CA HYP A 18 -11.617 10.915 -0.870 1.00 96.77 C +HETATM 109 C HYP A 18 -11.314 12.364 -0.557 1.00 97.05 C +HETATM 110 O HYP A 18 -11.226 12.725 0.612 1.00 96.08 O +HETATM 111 CB HYP A 18 -13.122 10.658 -0.808 1.00 95.87 C +HETATM 112 CG HYP A 18 -13.252 9.255 -0.298 1.00 95.17 C +HETATM 113 CD HYP A 18 -12.099 9.156 0.665 1.00 96.09 C +HETATM 114 OD1 HYP A 18 -13.058 8.320 -1.343 1.00 93.49 O +ATOM 115 N GLY A 19 -11.115 13.153 -1.576 1.00 96.52 N +ATOM 116 CA GLY A 19 -10.940 14.569 -1.387 1.00 96.26 C +ATOM 117 C GLY A 19 -12.218 15.198 -0.854 1.00 96.52 C +ATOM 118 O GLY A 19 -13.282 14.582 -0.843 1.00 96.12 O +ATOM 119 N PRO A 20 -12.127 16.461 -0.418 1.00 96.01 N +ATOM 120 CA PRO A 20 -13.311 17.128 0.110 1.00 95.88 C +ATOM 121 C PRO A 20 -14.301 17.458 -1.000 1.00 95.91 C +ATOM 122 O PRO A 20 -13.933 17.562 -2.165 1.00 94.73 O +ATOM 123 CB PRO A 20 -12.736 18.400 0.747 1.00 94.51 C +ATOM 124 CG PRO A 20 -11.496 18.658 -0.025 1.00 93.22 C +ATOM 125 CD PRO A 20 -10.937 17.304 -0.384 1.00 95.18 C +HETATM 126 N HYP A 21 -15.557 17.670 -0.668 1.00 96.06 N +HETATM 127 CA HYP A 21 -16.568 18.048 -1.622 1.00 95.69 C +HETATM 128 C HYP A 21 -16.255 19.389 -2.285 1.00 96.69 C +HETATM 129 O HYP A 21 -15.662 20.261 -1.636 1.00 95.25 O +HETATM 130 CB HYP A 21 -17.842 18.234 -0.763 1.00 94.75 C +HETATM 131 CG HYP A 21 -17.612 17.338 0.419 1.00 93.99 C +HETATM 132 CD HYP A 21 -16.118 17.450 0.649 1.00 94.83 C +HETATM 133 OD1 HYP A 21 -17.910 15.985 0.080 1.00 91.74 O +ATOM 134 N GLY A 22 -16.606 19.524 -3.534 1.00 94.64 N +ATOM 135 CA GLY A 22 -16.466 20.790 -4.200 1.00 94.18 C +ATOM 136 C GLY A 22 -17.396 21.828 -3.590 1.00 94.50 C +ATOM 137 O GLY A 22 -18.282 21.503 -2.799 1.00 93.56 O +ATOM 138 N PRO A 23 -17.226 23.095 -3.980 1.00 93.73 N +ATOM 139 CA PRO A 23 -18.088 24.140 -3.438 1.00 93.88 C +ATOM 140 C PRO A 23 -19.503 24.005 -3.978 1.00 93.84 C +ATOM 141 O PRO A 23 -19.723 23.458 -5.053 1.00 90.90 O +ATOM 142 CB PRO A 23 -17.424 25.431 -3.907 1.00 91.37 C +ATOM 143 CG PRO A 23 -16.697 25.037 -5.134 1.00 89.37 C +ATOM 144 CD PRO A 23 -16.240 23.621 -4.916 1.00 92.06 C +HETATM 145 N HYP A 24 -20.475 24.554 -3.325 1.00 94.09 N +HETATM 146 CA HYP A 24 -21.846 24.477 -3.800 1.00 92.51 C +HETATM 147 C HYP A 24 -22.045 25.113 -5.152 1.00 92.56 C +HETATM 148 O HYP A 24 -21.391 26.138 -5.394 1.00 89.32 O +HETATM 149 CB HYP A 24 -22.663 25.294 -2.748 1.00 92.18 C +HETATM 150 CG HYP A 24 -21.796 25.326 -1.517 1.00 91.80 C +HETATM 151 CD HYP A 24 -20.364 25.267 -2.072 1.00 92.49 C +HETATM 152 OD1 HYP A 24 -21.997 24.123 -0.803 1.00 86.13 O +HETATM 153 OXT HYP A 24 -22.870 24.565 -5.901 1.00 83.41 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_129.txt b/protein_pdb_129.txt new file mode 100644 index 0000000000000000000000000000000000000000..2bcbb6d898aec981284a2f4aaea8ab13fcf9eb52 --- /dev/null +++ b/protein_pdb_129.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 21.186 -26.970 4.845 1.00 89.04 N +ATOM 2 CA GLY A 1 21.203 -26.331 3.534 1.00 90.90 C +ATOM 3 C GLY A 1 21.251 -24.825 3.645 1.00 92.30 C +ATOM 4 O GLY A 1 21.149 -24.275 4.742 1.00 89.72 O +ATOM 5 N PRO A 2 21.396 -24.112 2.546 1.00 94.21 N +ATOM 6 CA PRO A 2 21.435 -22.650 2.571 1.00 94.97 C +ATOM 7 C PRO A 2 20.065 -22.067 2.900 1.00 95.51 C +ATOM 8 O PRO A 2 19.041 -22.720 2.735 1.00 93.66 O +ATOM 9 CB PRO A 2 21.874 -22.264 1.158 1.00 92.69 C +ATOM 10 CG PRO A 2 21.404 -23.400 0.321 1.00 90.21 C +ATOM 11 CD PRO A 2 21.521 -24.628 1.184 1.00 92.21 C +HETATM 12 N HYP A 3 20.048 -20.860 3.382 1.00 95.97 N +HETATM 13 CA HYP A 3 18.826 -20.111 3.627 1.00 95.75 C +HETATM 14 C HYP A 3 17.949 -19.979 2.381 1.00 96.17 C +HETATM 15 O HYP A 3 18.464 -19.795 1.269 1.00 95.12 O +HETATM 16 CB HYP A 3 19.290 -18.756 4.087 1.00 95.16 C +HETATM 17 CG HYP A 3 20.669 -18.990 4.633 1.00 94.44 C +HETATM 18 CD HYP A 3 21.212 -20.074 3.704 1.00 95.70 C +HETATM 19 OD1 HYP A 3 20.622 -19.486 5.943 1.00 94.22 O +ATOM 20 N GLY A 4 16.636 -20.087 2.594 1.00 97.24 N +ATOM 21 CA GLY A 4 15.714 -19.913 1.492 1.00 96.95 C +ATOM 22 C GLY A 4 15.659 -18.455 1.056 1.00 97.12 C +ATOM 23 O GLY A 4 16.168 -17.566 1.741 1.00 96.67 O +ATOM 24 N PRO A 5 15.026 -18.192 -0.074 1.00 96.91 N +ATOM 25 CA PRO A 5 14.918 -16.818 -0.561 1.00 96.77 C +ATOM 26 C PRO A 5 13.933 -16.012 0.275 1.00 96.90 C +ATOM 27 O PRO A 5 13.067 -16.562 0.947 1.00 96.34 O +ATOM 28 CB PRO A 5 14.436 -16.986 -2.003 1.00 95.50 C +ATOM 29 CG PRO A 5 13.659 -18.255 -1.963 1.00 94.09 C +ATOM 30 CD PRO A 5 14.374 -19.143 -0.976 1.00 95.91 C +HETATM 31 N HYP A 6 14.047 -14.698 0.245 1.00 97.47 N +HETATM 32 CA HYP A 6 13.057 -13.807 0.853 1.00 96.65 C +HETATM 33 C HYP A 6 11.658 -13.993 0.320 1.00 97.69 C +HETATM 34 O HYP A 6 11.482 -14.299 -0.876 1.00 96.53 O +HETATM 35 CB HYP A 6 13.583 -12.409 0.551 1.00 95.86 C +HETATM 36 CG HYP A 6 15.038 -12.600 0.378 1.00 95.14 C +HETATM 37 CD HYP A 6 15.126 -13.961 -0.293 1.00 96.43 C +HETATM 38 OD1 HYP A 6 15.679 -12.655 1.634 1.00 93.52 O +ATOM 39 N GLY A 7 10.681 -13.792 1.176 1.00 97.41 N +ATOM 40 CA GLY A 7 9.305 -13.882 0.750 1.00 97.26 C +ATOM 41 C GLY A 7 8.946 -12.758 -0.206 1.00 97.50 C +ATOM 42 O GLY A 7 9.722 -11.826 -0.424 1.00 97.14 O +ATOM 43 N PRO A 8 7.748 -12.832 -0.783 1.00 97.10 N +ATOM 44 CA PRO A 8 7.313 -11.796 -1.713 1.00 97.06 C +ATOM 45 C PRO A 8 7.046 -10.474 -1.004 1.00 97.31 C +ATOM 46 O PRO A 8 6.799 -10.439 0.200 1.00 96.81 O +ATOM 47 CB PRO A 8 6.036 -12.371 -2.321 1.00 96.16 C +ATOM 48 CG PRO A 8 5.517 -13.271 -1.259 1.00 95.03 C +ATOM 49 CD PRO A 8 6.732 -13.858 -0.589 1.00 96.44 C +HETATM 50 N HYP A 9 7.074 -9.376 -1.698 1.00 96.98 N +HETATM 51 CA HYP A 9 6.700 -8.073 -1.191 1.00 96.89 C +HETATM 52 C HYP A 9 5.294 -8.044 -0.703 1.00 97.39 C +HETATM 53 O HYP A 9 4.424 -8.733 -1.218 1.00 96.47 O +HETATM 54 CB HYP A 9 6.864 -7.124 -2.407 1.00 95.27 C +HETATM 55 CG HYP A 9 7.900 -7.813 -3.203 1.00 94.68 C +HETATM 56 CD HYP A 9 7.570 -9.263 -3.004 1.00 96.07 C +HETATM 57 OD1 HYP A 9 9.196 -7.563 -2.662 1.00 93.02 O +ATOM 58 N GLY A 10 5.066 -7.239 0.355 1.00 97.50 N +ATOM 59 CA GLY A 10 3.732 -7.071 0.881 1.00 97.25 C +ATOM 60 C GLY A 10 2.814 -6.414 -0.130 1.00 97.56 C +ATOM 61 O GLY A 10 3.252 -5.847 -1.135 1.00 96.95 O +ATOM 62 N THR A 11 1.517 -6.491 0.150 1.00 97.56 N +ATOM 63 CA THR A 11 0.525 -5.875 -0.727 1.00 97.33 C +ATOM 64 C THR A 11 0.539 -4.361 -0.560 1.00 97.57 C +ATOM 65 O THR A 11 0.959 -3.838 0.475 1.00 97.12 O +ATOM 66 CB THR A 11 -0.864 -6.421 -0.436 1.00 96.26 C +ATOM 67 OG1 THR A 11 -1.211 -6.142 0.911 1.00 93.54 O +ATOM 68 CG2 THR A 11 -0.907 -7.918 -0.662 1.00 92.15 C +HETATM 69 N HYP A 12 0.078 -3.613 -1.521 1.00 97.07 N +HETATM 70 CA HYP A 12 -0.061 -2.176 -1.436 1.00 96.98 C +HETATM 71 C HYP A 12 -1.016 -1.764 -0.352 1.00 97.54 C +HETATM 72 O HYP A 12 -1.977 -2.475 -0.039 1.00 96.42 O +HETATM 73 CB HYP A 12 -0.617 -1.759 -2.801 1.00 95.52 C +HETATM 74 CG HYP A 12 -0.107 -2.825 -3.713 1.00 94.13 C +HETATM 75 CD HYP A 12 -0.160 -4.031 -2.860 1.00 95.74 C +HETATM 76 OD1 HYP A 12 1.247 -2.601 -4.075 1.00 92.86 O +ATOM 77 N GLY A 13 -0.720 -0.626 0.272 1.00 97.62 N +ATOM 78 CA GLY A 13 -1.601 -0.092 1.275 1.00 97.47 C +ATOM 79 C GLY A 13 -2.938 0.312 0.678 1.00 97.71 C +ATOM 80 O GLY A 13 -3.106 0.342 -0.548 1.00 97.39 O +ATOM 81 N PRO A 14 -3.909 0.626 1.526 1.00 97.43 N +ATOM 82 CA PRO A 14 -5.224 1.022 1.042 1.00 97.37 C +ATOM 83 C PRO A 14 -5.185 2.396 0.376 1.00 97.52 C +ATOM 84 O PRO A 14 -4.299 3.197 0.639 1.00 97.08 O +ATOM 85 CB PRO A 14 -6.081 1.031 2.304 1.00 96.53 C +ATOM 86 CG PRO A 14 -5.114 1.324 3.389 1.00 95.28 C +ATOM 87 CD PRO A 14 -3.829 0.650 2.989 1.00 96.73 C +HETATM 88 N HYP A 15 -6.127 2.699 -0.466 1.00 97.38 N +HETATM 89 CA HYP A 15 -6.289 4.018 -1.066 1.00 97.05 C +HETATM 90 C HYP A 15 -6.463 5.109 -0.040 1.00 97.55 C +HETATM 91 O HYP A 15 -7.025 4.867 1.032 1.00 96.63 O +HETATM 92 CB HYP A 15 -7.575 3.870 -1.898 1.00 96.10 C +HETATM 93 CG HYP A 15 -7.638 2.400 -2.201 1.00 95.58 C +HETATM 94 CD HYP A 15 -7.100 1.771 -0.952 1.00 96.36 C +HETATM 95 OD1 HYP A 15 -6.792 2.072 -3.295 1.00 94.23 O +ATOM 96 N GLY A 16 -5.958 6.282 -0.313 1.00 97.24 N +ATOM 97 CA GLY A 16 -6.176 7.410 0.557 1.00 96.99 C +ATOM 98 C GLY A 16 -7.647 7.790 0.591 1.00 97.33 C +ATOM 99 O GLY A 16 -8.448 7.321 -0.223 1.00 97.07 O +ATOM 100 N PRO A 17 -8.021 8.655 1.531 1.00 97.02 N +ATOM 101 CA PRO A 17 -9.420 9.065 1.629 1.00 96.86 C +ATOM 102 C PRO A 17 -9.820 9.947 0.453 1.00 96.82 C +ATOM 103 O PRO A 17 -8.980 10.587 -0.170 1.00 96.17 O +ATOM 104 CB PRO A 17 -9.470 9.830 2.950 1.00 95.79 C +ATOM 105 CG PRO A 17 -8.089 10.332 3.131 1.00 94.71 C +ATOM 106 CD PRO A 17 -7.178 9.278 2.547 1.00 96.31 C +HETATM 107 N HYP A 18 -11.088 10.016 0.128 1.00 96.85 N +HETATM 108 CA HYP A 18 -11.617 10.915 -0.870 1.00 96.77 C +HETATM 109 C HYP A 18 -11.314 12.364 -0.557 1.00 97.05 C +HETATM 110 O HYP A 18 -11.226 12.725 0.612 1.00 96.08 O +HETATM 111 CB HYP A 18 -13.122 10.658 -0.808 1.00 95.87 C +HETATM 112 CG HYP A 18 -13.252 9.255 -0.298 1.00 95.17 C +HETATM 113 CD HYP A 18 -12.099 9.156 0.665 1.00 96.09 C +HETATM 114 OD1 HYP A 18 -13.058 8.320 -1.343 1.00 93.49 O +ATOM 115 N GLY A 19 -11.115 13.153 -1.576 1.00 96.52 N +ATOM 116 CA GLY A 19 -10.940 14.569 -1.387 1.00 96.26 C +ATOM 117 C GLY A 19 -12.218 15.198 -0.854 1.00 96.52 C +ATOM 118 O GLY A 19 -13.282 14.582 -0.843 1.00 96.12 O +ATOM 119 N PRO A 20 -12.127 16.461 -0.418 1.00 96.01 N +ATOM 120 CA PRO A 20 -13.311 17.128 0.110 1.00 95.88 C +ATOM 121 C PRO A 20 -14.301 17.458 -1.000 1.00 95.91 C +ATOM 122 O PRO A 20 -13.933 17.562 -2.165 1.00 94.73 O +ATOM 123 CB PRO A 20 -12.736 18.400 0.747 1.00 94.51 C +ATOM 124 CG PRO A 20 -11.496 18.658 -0.025 1.00 93.22 C +ATOM 125 CD PRO A 20 -10.937 17.304 -0.384 1.00 95.18 C +HETATM 126 N HYP A 21 -15.557 17.670 -0.668 1.00 96.06 N +HETATM 127 CA HYP A 21 -16.568 18.048 -1.622 1.00 95.69 C +HETATM 128 C HYP A 21 -16.255 19.389 -2.285 1.00 96.69 C +HETATM 129 O HYP A 21 -15.662 20.261 -1.636 1.00 95.25 O +HETATM 130 CB HYP A 21 -17.842 18.234 -0.763 1.00 94.75 C +HETATM 131 CG HYP A 21 -17.612 17.338 0.419 1.00 93.99 C +HETATM 132 CD HYP A 21 -16.118 17.450 0.649 1.00 94.83 C +HETATM 133 OD1 HYP A 21 -17.910 15.985 0.080 1.00 91.74 O +ATOM 134 N GLY A 22 -16.606 19.524 -3.534 1.00 94.64 N +ATOM 135 CA GLY A 22 -16.466 20.790 -4.200 1.00 94.18 C +ATOM 136 C GLY A 22 -17.396 21.828 -3.590 1.00 94.50 C +ATOM 137 O GLY A 22 -18.282 21.503 -2.799 1.00 93.56 O +ATOM 138 N PRO A 23 -17.226 23.095 -3.980 1.00 93.73 N +ATOM 139 CA PRO A 23 -18.088 24.140 -3.438 1.00 93.88 C +ATOM 140 C PRO A 23 -19.503 24.005 -3.978 1.00 93.84 C +ATOM 141 O PRO A 23 -19.723 23.458 -5.053 1.00 90.90 O +ATOM 142 CB PRO A 23 -17.424 25.431 -3.907 1.00 91.37 C +ATOM 143 CG PRO A 23 -16.697 25.037 -5.134 1.00 89.37 C +ATOM 144 CD PRO A 23 -16.240 23.621 -4.916 1.00 92.06 C +HETATM 145 N HYP A 24 -20.475 24.554 -3.325 1.00 94.09 N +HETATM 146 CA HYP A 24 -21.846 24.477 -3.800 1.00 92.51 C +HETATM 147 C HYP A 24 -22.045 25.113 -5.152 1.00 92.56 C +HETATM 148 O HYP A 24 -21.391 26.138 -5.394 1.00 89.32 O +HETATM 149 CB HYP A 24 -22.663 25.294 -2.748 1.00 92.18 C +HETATM 150 CG HYP A 24 -21.796 25.326 -1.517 1.00 91.80 C +HETATM 151 CD HYP A 24 -20.364 25.267 -2.072 1.00 92.49 C +HETATM 152 OD1 HYP A 24 -21.997 24.123 -0.803 1.00 86.13 O +HETATM 153 OXT HYP A 24 -22.870 24.565 -5.901 1.00 83.41 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_13.txt b/protein_pdb_13.txt new file mode 100644 index 0000000000000000000000000000000000000000..89ca0d6d14c3b637d013cbb9ac7f2ac2ec90f75f --- /dev/null +++ b/protein_pdb_13.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 33.316 -6.616 9.763 1.00 82.24 N +ATOM 2 CA GLY A 1 33.022 -6.649 8.338 1.00 86.00 C +ATOM 3 C GLY A 1 32.099 -5.523 7.931 1.00 86.80 C +ATOM 4 O GLY A 1 31.556 -4.819 8.789 1.00 83.84 O +ATOM 5 N PRO A 2 31.905 -5.324 6.655 1.00 83.91 N +ATOM 6 CA PRO A 2 31.021 -4.261 6.181 1.00 88.07 C +ATOM 7 C PRO A 2 29.563 -4.573 6.484 1.00 87.91 C +ATOM 8 O PRO A 2 29.195 -5.718 6.738 1.00 86.11 O +ATOM 9 CB PRO A 2 31.278 -4.222 4.676 1.00 85.42 C +ATOM 10 CG PRO A 2 31.683 -5.627 4.351 1.00 81.51 C +ATOM 11 CD PRO A 2 32.469 -6.102 5.548 1.00 82.15 C +HETATM 12 N HYP A 3 28.812 -3.588 6.495 1.00 85.97 N +HETATM 13 CA HYP A 3 27.339 -3.736 6.627 1.00 86.75 C +HETATM 14 C HYP A 3 26.778 -4.634 5.581 1.00 86.17 C +HETATM 15 O HYP A 3 27.290 -4.697 4.451 1.00 87.28 O +HETATM 16 CB HYP A 3 26.839 -2.330 6.570 1.00 83.07 C +HETATM 17 CG HYP A 3 28.009 -1.485 7.053 1.00 83.33 C +HETATM 18 CD HYP A 3 29.196 -2.224 6.418 1.00 85.75 C +HETATM 19 OD1 HYP A 3 28.143 -1.536 8.440 1.00 87.79 O +ATOM 20 N GLY A 4 25.717 -5.381 5.927 1.00 90.34 N +ATOM 21 CA GLY A 4 25.066 -6.257 4.984 1.00 89.45 C +ATOM 22 C GLY A 4 24.347 -5.471 3.900 1.00 88.82 C +ATOM 23 O GLY A 4 24.223 -4.244 3.977 1.00 87.33 O +ATOM 24 N PRO A 5 23.862 -6.166 2.883 1.00 90.31 N +ATOM 25 CA PRO A 5 23.155 -5.494 1.803 1.00 89.67 C +ATOM 26 C PRO A 5 21.807 -4.953 2.265 1.00 89.50 C +ATOM 27 O PRO A 5 21.256 -5.402 3.262 1.00 88.18 O +ATOM 28 CB PRO A 5 22.981 -6.591 0.752 1.00 87.89 C +ATOM 29 CG PRO A 5 22.955 -7.850 1.564 1.00 86.58 C +ATOM 30 CD PRO A 5 23.919 -7.609 2.696 1.00 87.63 C +HETATM 31 N HYP A 6 21.333 -3.990 1.552 1.00 86.47 N +HETATM 32 CA HYP A 6 19.972 -3.482 1.821 1.00 89.55 C +HETATM 33 C HYP A 6 18.949 -4.587 1.727 1.00 88.29 C +HETATM 34 O HYP A 6 19.117 -5.545 0.946 1.00 87.99 O +HETATM 35 CB HYP A 6 19.795 -2.454 0.693 1.00 86.96 C +HETATM 36 CG HYP A 6 21.198 -1.993 0.383 1.00 83.97 C +HETATM 37 CD HYP A 6 22.006 -3.285 0.523 1.00 86.14 C +HETATM 38 OD1 HYP A 6 21.642 -1.059 1.337 1.00 86.12 O +ATOM 39 N GLY A 7 17.892 -4.465 2.542 1.00 91.51 N +ATOM 40 CA GLY A 7 16.812 -5.416 2.506 1.00 90.26 C +ATOM 41 C GLY A 7 16.013 -5.305 1.223 1.00 90.30 C +ATOM 42 O GLY A 7 16.199 -4.378 0.433 1.00 89.30 O +ATOM 43 N PRO A 8 15.102 -6.236 1.005 1.00 87.90 N +ATOM 44 CA PRO A 8 14.279 -6.204 -0.197 1.00 87.66 C +ATOM 45 C PRO A 8 13.271 -5.066 -0.144 1.00 87.81 C +ATOM 46 O PRO A 8 12.963 -4.543 0.919 1.00 85.55 O +ATOM 47 CB PRO A 8 13.586 -7.565 -0.193 1.00 85.36 C +ATOM 48 CG PRO A 8 13.514 -7.916 1.252 1.00 85.20 C +ATOM 49 CD PRO A 8 14.780 -7.373 1.860 1.00 85.92 C +HETATM 50 N HYP A 9 12.754 -4.668 -1.287 1.00 87.88 N +HETATM 51 CA HYP A 9 11.678 -3.691 -1.331 1.00 89.79 C +HETATM 52 C HYP A 9 10.516 -4.137 -0.516 1.00 88.89 C +HETATM 53 O HYP A 9 10.251 -5.354 -0.389 1.00 88.72 O +HETATM 54 CB HYP A 9 11.364 -3.692 -2.872 1.00 88.46 C +HETATM 55 CG HYP A 9 12.666 -4.042 -3.510 1.00 86.66 C +HETATM 56 CD HYP A 9 13.239 -5.082 -2.561 1.00 88.79 C +HETATM 57 OD1 HYP A 9 13.547 -2.916 -3.532 1.00 86.19 O +ATOM 58 N GLY A 10 9.768 -3.156 0.022 1.00 90.80 N +ATOM 59 CA GLY A 10 8.574 -3.450 0.779 1.00 89.35 C +ATOM 60 C GLY A 10 7.500 -4.079 -0.087 1.00 89.74 C +ATOM 61 O GLY A 10 7.611 -4.110 -1.315 1.00 88.39 O +ATOM 62 N PRO A 11 6.444 -4.585 0.541 1.00 89.24 N +ATOM 63 CA PRO A 11 5.364 -5.219 -0.210 1.00 88.98 C +ATOM 64 C PRO A 11 4.563 -4.193 -1.005 1.00 89.24 C +ATOM 65 O PRO A 11 4.555 -3.011 -0.682 1.00 86.99 O +ATOM 66 CB PRO A 11 4.518 -5.870 0.871 1.00 87.15 C +ATOM 67 CG PRO A 11 4.747 -5.015 2.066 1.00 87.18 C +ATOM 68 CD PRO A 11 6.193 -4.592 1.985 1.00 87.55 C +HETATM 69 N HYP A 12 3.885 -4.630 -2.014 1.00 90.07 N +HETATM 70 CA HYP A 12 2.963 -3.768 -2.759 1.00 88.48 C +HETATM 71 C HYP A 12 1.887 -3.216 -1.857 1.00 91.35 C +HETATM 72 O HYP A 12 1.519 -3.842 -0.842 1.00 89.53 O +HETATM 73 CB HYP A 12 2.345 -4.822 -3.755 1.00 87.56 C +HETATM 74 CG HYP A 12 3.420 -5.830 -3.937 1.00 84.93 C +HETATM 75 CD HYP A 12 4.010 -5.941 -2.557 1.00 89.26 C +HETATM 76 OD1 HYP A 12 4.441 -5.361 -4.805 1.00 87.35 O +ATOM 77 N GLY A 13 1.418 -2.032 -2.189 1.00 92.12 N +ATOM 78 CA GLY A 13 0.350 -1.434 -1.434 1.00 90.67 C +ATOM 79 C GLY A 13 -0.938 -2.233 -1.568 1.00 91.21 C +ATOM 80 O GLY A 13 -1.034 -3.149 -2.384 1.00 90.87 O +ATOM 81 N PRO A 14 -1.935 -1.878 -0.767 1.00 90.73 N +ATOM 82 CA PRO A 14 -3.208 -2.590 -0.834 1.00 90.97 C +ATOM 83 C PRO A 14 -3.955 -2.262 -2.118 1.00 91.02 C +ATOM 84 O PRO A 14 -3.710 -1.241 -2.746 1.00 89.28 O +ATOM 85 CB PRO A 14 -3.954 -2.085 0.401 1.00 89.60 C +ATOM 86 CG PRO A 14 -3.401 -0.724 0.621 1.00 88.98 C +ATOM 87 CD PRO A 14 -1.942 -0.827 0.248 1.00 89.98 C +HETATM 88 N HYP A 15 -4.893 -3.123 -2.515 1.00 86.98 N +HETATM 89 CA HYP A 15 -5.742 -2.831 -3.629 1.00 89.95 C +HETATM 90 C HYP A 15 -6.539 -1.547 -3.435 1.00 86.75 C +HETATM 91 O HYP A 15 -6.845 -1.167 -2.302 1.00 88.19 O +HETATM 92 CB HYP A 15 -6.694 -4.061 -3.629 1.00 85.98 C +HETATM 93 CG HYP A 15 -5.859 -5.139 -3.039 1.00 82.95 C +HETATM 94 CD HYP A 15 -5.096 -4.414 -1.970 1.00 87.35 C +HETATM 95 OD1 HYP A 15 -4.931 -5.655 -3.968 1.00 88.44 O +ATOM 96 N GLY A 16 -6.794 -0.859 -4.511 1.00 90.54 N +ATOM 97 CA GLY A 16 -7.573 0.344 -4.442 1.00 88.69 C +ATOM 98 C GLY A 16 -9.000 0.054 -3.994 1.00 89.73 C +ATOM 99 O GLY A 16 -9.427 -1.106 -3.950 1.00 89.53 O +ATOM 100 N PRO A 17 -9.739 1.107 -3.674 1.00 86.52 N +ATOM 101 CA PRO A 17 -11.120 0.913 -3.240 1.00 87.76 C +ATOM 102 C PRO A 17 -12.006 0.482 -4.395 1.00 87.32 C +ATOM 103 O PRO A 17 -11.680 0.690 -5.559 1.00 86.11 O +ATOM 104 CB PRO A 17 -11.514 2.290 -2.708 1.00 86.04 C +ATOM 105 CG PRO A 17 -10.663 3.224 -3.488 1.00 83.80 C +ATOM 106 CD PRO A 17 -9.349 2.510 -3.678 1.00 85.11 C +HETATM 107 N HYP A 18 -13.138 -0.124 -4.109 1.00 85.25 N +HETATM 108 CA HYP A 18 -14.122 -0.443 -5.103 1.00 90.27 C +HETATM 109 C HYP A 18 -14.561 0.765 -5.880 1.00 86.15 C +HETATM 110 O HYP A 18 -14.558 1.892 -5.363 1.00 88.93 O +HETATM 111 CB HYP A 18 -15.260 -1.018 -4.284 1.00 88.19 C +HETATM 112 CG HYP A 18 -14.582 -1.602 -3.101 1.00 84.21 C +HETATM 113 CD HYP A 18 -13.481 -0.602 -2.830 1.00 86.79 C +HETATM 114 OD1 HYP A 18 -13.985 -2.850 -3.397 1.00 89.42 O +ATOM 115 N GLY A 19 -14.884 0.577 -7.147 1.00 89.62 N +ATOM 116 CA GLY A 19 -15.376 1.650 -7.965 1.00 88.36 C +ATOM 117 C GLY A 19 -16.724 2.151 -7.478 1.00 88.42 C +ATOM 118 O GLY A 19 -17.346 1.547 -6.594 1.00 87.23 O +ATOM 119 N PRO A 20 -17.195 3.248 -8.050 1.00 82.81 N +ATOM 120 CA PRO A 20 -18.479 3.797 -7.642 1.00 83.08 C +ATOM 121 C PRO A 20 -19.630 2.920 -8.097 1.00 82.31 C +ATOM 122 O PRO A 20 -19.487 2.093 -8.989 1.00 80.81 O +ATOM 123 CB PRO A 20 -18.499 5.162 -8.328 1.00 79.98 C +ATOM 124 CG PRO A 20 -17.656 4.963 -9.539 1.00 76.50 C +ATOM 125 CD PRO A 20 -16.559 4.025 -9.111 1.00 78.48 C +HETATM 126 N HYP A 21 -20.810 3.060 -7.507 1.00 89.16 N +HETATM 127 CA HYP A 21 -21.973 2.366 -7.908 1.00 89.49 C +HETATM 128 C HYP A 21 -22.342 2.608 -9.360 1.00 90.49 C +HETATM 129 O HYP A 21 -22.051 3.684 -9.883 1.00 89.14 O +HETATM 130 CB HYP A 21 -23.067 2.948 -7.002 1.00 89.53 C +HETATM 131 CG HYP A 21 -22.330 3.367 -5.775 1.00 87.68 C +HETATM 132 CD HYP A 21 -21.018 3.884 -6.352 1.00 89.61 C +HETATM 133 OD1 HYP A 21 -22.044 2.257 -4.942 1.00 88.03 O +ATOM 134 N GLY A 22 -22.925 1.654 -10.017 1.00 85.04 N +ATOM 135 CA GLY A 22 -23.360 1.816 -11.377 1.00 83.28 C +ATOM 136 C GLY A 22 -24.431 2.891 -11.495 1.00 82.20 C +ATOM 137 O GLY A 22 -24.965 3.368 -10.494 1.00 80.11 O +ATOM 138 N PRO A 23 -24.774 3.258 -12.725 1.00 81.63 N +ATOM 139 CA PRO A 23 -25.785 4.292 -12.929 1.00 82.98 C +ATOM 140 C PRO A 23 -27.165 3.787 -12.557 1.00 82.14 C +ATOM 141 O PRO A 23 -27.420 2.584 -12.531 1.00 78.22 O +ATOM 142 CB PRO A 23 -25.672 4.607 -14.416 1.00 77.53 C +ATOM 143 CG PRO A 23 -25.192 3.333 -15.009 1.00 72.37 C +ATOM 144 CD PRO A 23 -24.258 2.745 -13.993 1.00 72.88 C +HETATM 145 N HYP A 24 -28.094 4.648 -12.301 1.00 85.29 N +HETATM 146 CA HYP A 24 -29.432 4.187 -12.044 1.00 85.01 C +HETATM 147 C HYP A 24 -29.967 3.569 -13.331 1.00 85.56 C +HETATM 148 O HYP A 24 -30.600 2.590 -13.210 1.00 82.86 O +HETATM 149 CB HYP A 24 -30.230 5.519 -11.835 1.00 86.59 C +HETATM 150 CG HYP A 24 -29.222 6.537 -11.442 1.00 86.16 C +HETATM 151 CD HYP A 24 -27.940 6.073 -12.137 1.00 84.67 C +HETATM 152 OD1 HYP A 24 -29.005 6.446 -10.050 1.00 81.81 O +HETATM 153 OXT HYP A 24 -29.678 4.136 -14.412 1.00 78.57 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_130.txt b/protein_pdb_130.txt new file mode 100644 index 0000000000000000000000000000000000000000..bceda91732708ab80749d01a3e4c591752bab030 --- /dev/null +++ b/protein_pdb_130.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 25.204 -16.311 19.940 1.00 82.90 N +ATOM 2 CA GLY A 1 24.012 -16.924 19.362 1.00 86.82 C +ATOM 3 C GLY A 1 23.759 -16.416 17.962 1.00 87.84 C +ATOM 4 O GLY A 1 24.426 -15.480 17.507 1.00 85.27 O +ATOM 5 N PRO A 2 22.829 -16.989 17.259 1.00 84.72 N +ATOM 6 CA PRO A 2 22.521 -16.558 15.893 1.00 88.58 C +ATOM 7 C PRO A 2 21.855 -15.193 15.873 1.00 88.70 C +ATOM 8 O PRO A 2 21.287 -14.748 16.864 1.00 87.28 O +ATOM 9 CB PRO A 2 21.583 -17.660 15.378 1.00 86.60 C +ATOM 10 CG PRO A 2 20.889 -18.102 16.622 1.00 82.14 C +ATOM 11 CD PRO A 2 21.981 -18.110 17.668 1.00 82.30 C +HETATM 12 N HYP A 3 21.990 -14.543 14.805 1.00 87.77 N +HETATM 13 CA HYP A 3 21.273 -13.258 14.586 1.00 89.36 C +HETATM 14 C HYP A 3 19.799 -13.405 14.783 1.00 88.88 C +HETATM 15 O HYP A 3 19.234 -14.472 14.540 1.00 88.76 O +HETATM 16 CB HYP A 3 21.606 -12.936 13.117 1.00 86.23 C +HETATM 17 CG HYP A 3 22.933 -13.608 12.858 1.00 84.16 C +HETATM 18 CD HYP A 3 22.789 -14.926 13.663 1.00 86.91 C +HETATM 19 OD1 HYP A 3 23.996 -12.886 13.375 1.00 87.75 O +ATOM 20 N GLY A 4 19.174 -12.319 15.255 1.00 92.12 N +ATOM 21 CA GLY A 4 17.745 -12.320 15.462 1.00 91.87 C +ATOM 22 C GLY A 4 17.018 -12.405 14.129 1.00 91.94 C +ATOM 23 O GLY A 4 17.619 -12.226 13.070 1.00 90.98 O +ATOM 24 N PRO A 5 15.727 -12.667 14.177 1.00 91.04 N +ATOM 25 CA PRO A 5 14.952 -12.764 12.940 1.00 91.69 C +ATOM 26 C PRO A 5 14.779 -11.406 12.273 1.00 91.60 C +ATOM 27 O PRO A 5 14.871 -10.369 12.921 1.00 90.01 O +ATOM 28 CB PRO A 5 13.619 -13.349 13.407 1.00 89.62 C +ATOM 29 CG PRO A 5 13.497 -12.801 14.791 1.00 87.47 C +ATOM 30 CD PRO A 5 14.909 -12.903 15.348 1.00 89.38 C +HETATM 31 N HYP A 6 14.558 -11.429 10.986 1.00 91.58 N +HETATM 32 CA HYP A 6 14.234 -10.174 10.279 1.00 93.36 C +HETATM 33 C HYP A 6 13.015 -9.506 10.835 1.00 92.65 C +HETATM 34 O HYP A 6 12.093 -10.178 11.337 1.00 90.73 O +HETATM 35 CB HYP A 6 13.969 -10.697 8.841 1.00 90.38 C +HETATM 36 CG HYP A 6 14.768 -11.945 8.722 1.00 87.62 C +HETATM 37 CD HYP A 6 14.624 -12.561 10.110 1.00 90.23 C +HETATM 38 OD1 HYP A 6 16.111 -11.675 8.437 1.00 88.34 O +ATOM 39 N GLY A 7 12.981 -8.175 10.730 1.00 92.92 N +ATOM 40 CA GLY A 7 11.837 -7.429 11.187 1.00 92.16 C +ATOM 41 C GLY A 7 10.636 -7.720 10.307 1.00 92.73 C +ATOM 42 O GLY A 7 10.770 -8.299 9.229 1.00 91.70 O +ATOM 43 N PRO A 8 9.456 -7.315 10.746 1.00 89.74 N +ATOM 44 CA PRO A 8 8.251 -7.559 9.962 1.00 90.17 C +ATOM 45 C PRO A 8 8.203 -6.679 8.718 1.00 90.13 C +ATOM 46 O PRO A 8 8.801 -5.609 8.677 1.00 88.44 O +ATOM 47 CB PRO A 8 7.127 -7.228 10.931 1.00 88.27 C +ATOM 48 CG PRO A 8 7.744 -6.169 11.792 1.00 87.43 C +ATOM 49 CD PRO A 8 9.159 -6.653 12.000 1.00 88.33 C +HETATM 50 N HYP A 9 7.508 -7.121 7.710 1.00 90.17 N +HETATM 51 CA HYP A 9 7.300 -6.320 6.527 1.00 91.99 C +HETATM 52 C HYP A 9 6.501 -5.101 6.827 1.00 90.55 C +HETATM 53 O HYP A 9 5.663 -5.089 7.741 1.00 89.51 O +HETATM 54 CB HYP A 9 6.426 -7.273 5.621 1.00 88.83 C +HETATM 55 CG HYP A 9 6.881 -8.634 6.023 1.00 86.02 C +HETATM 56 CD HYP A 9 7.046 -8.478 7.503 1.00 89.01 C +HETATM 57 OD1 HYP A 9 8.098 -8.948 5.415 1.00 86.07 O +ATOM 58 N GLY A 10 6.715 -4.046 6.035 1.00 90.94 N +ATOM 59 CA GLY A 10 5.967 -2.831 6.199 1.00 88.88 C +ATOM 60 C GLY A 10 4.504 -3.071 5.859 1.00 88.60 C +ATOM 61 O GLY A 10 4.158 -4.039 5.175 1.00 86.52 O +ATOM 62 N SER A 11 3.671 -2.190 6.324 1.00 90.02 N +ATOM 63 CA SER A 11 2.246 -2.314 6.039 1.00 89.07 C +ATOM 64 C SER A 11 1.956 -1.907 4.601 1.00 89.39 C +ATOM 65 O SER A 11 2.724 -1.159 3.992 1.00 87.76 O +ATOM 66 CB SER A 11 1.437 -1.449 7.005 1.00 85.61 C +ATOM 67 OG SER A 11 1.794 -0.099 6.864 1.00 78.28 O +ATOM 68 N PRO A 12 0.847 -2.382 4.026 1.00 86.84 N +ATOM 69 CA PRO A 12 0.499 -1.997 2.662 1.00 86.72 C +ATOM 70 C PRO A 12 0.306 -0.489 2.561 1.00 87.04 C +ATOM 71 O PRO A 12 -0.071 0.162 3.537 1.00 83.63 O +ATOM 72 CB PRO A 12 -0.802 -2.751 2.391 1.00 83.87 C +ATOM 73 CG PRO A 12 -0.701 -3.952 3.273 1.00 81.59 C +ATOM 74 CD PRO A 12 -0.090 -3.393 4.537 1.00 82.26 C +ATOM 75 N GLY A 13 0.596 0.022 1.399 1.00 90.39 N +ATOM 76 CA GLY A 13 0.413 1.448 1.179 1.00 88.56 C +ATOM 77 C GLY A 13 -1.060 1.801 1.150 1.00 89.45 C +ATOM 78 O GLY A 13 -1.919 0.921 1.097 1.00 89.79 O +ATOM 79 N PRO A 14 -1.385 3.102 1.169 1.00 88.52 N +ATOM 80 CA PRO A 14 -2.778 3.524 1.137 1.00 89.75 C +ATOM 81 C PRO A 14 -3.388 3.311 -0.237 1.00 89.74 C +ATOM 82 O PRO A 14 -2.684 3.173 -1.230 1.00 88.87 O +ATOM 83 CB PRO A 14 -2.694 5.011 1.493 1.00 88.46 C +ATOM 84 CG PRO A 14 -1.369 5.410 0.938 1.00 86.61 C +ATOM 85 CD PRO A 14 -0.474 4.235 1.278 1.00 87.44 C +HETATM 86 N HYP A 15 -4.717 3.277 -0.330 1.00 86.07 N +HETATM 87 CA HYP A 15 -5.400 3.195 -1.586 1.00 87.58 C +HETATM 88 C HYP A 15 -5.079 4.367 -2.498 1.00 89.47 C +HETATM 89 O HYP A 15 -4.774 5.477 -2.028 1.00 86.35 O +HETATM 90 CB HYP A 15 -6.863 3.270 -1.123 1.00 84.28 C +HETATM 91 CG HYP A 15 -6.819 2.659 0.246 1.00 79.20 C +HETATM 92 CD HYP A 15 -5.540 3.196 0.797 1.00 84.66 C +HETATM 93 OD1 HYP A 15 -6.763 1.270 0.186 1.00 87.04 O +ATOM 94 N GLY A 16 -5.092 4.103 -3.786 1.00 93.41 N +ATOM 95 CA GLY A 16 -4.829 5.132 -4.749 1.00 92.16 C +ATOM 96 C GLY A 16 -5.955 6.152 -4.761 1.00 93.02 C +ATOM 97 O GLY A 16 -6.994 5.949 -4.127 1.00 92.38 O +ATOM 98 N PRO A 17 -5.778 7.250 -5.491 1.00 87.10 N +ATOM 99 CA PRO A 17 -6.805 8.281 -5.556 1.00 87.78 C +ATOM 100 C PRO A 17 -8.018 7.813 -6.349 1.00 87.93 C +ATOM 101 O PRO A 17 -7.933 6.889 -7.140 1.00 86.49 O +ATOM 102 CB PRO A 17 -6.090 9.445 -6.236 1.00 85.49 C +ATOM 103 CG PRO A 17 -5.105 8.757 -7.115 1.00 83.98 C +ATOM 104 CD PRO A 17 -4.593 7.616 -6.271 1.00 85.03 C +HETATM 105 N HYP A 18 -9.178 8.454 -6.177 1.00 87.96 N +HETATM 106 CA HYP A 18 -10.345 8.160 -6.936 1.00 90.99 C +HETATM 107 C HYP A 18 -10.146 8.380 -8.424 1.00 89.16 C +HETATM 108 O HYP A 18 -9.386 9.279 -8.858 1.00 89.45 O +HETATM 109 CB HYP A 18 -11.359 9.187 -6.406 1.00 89.44 C +HETATM 110 CG HYP A 18 -10.907 9.447 -5.013 1.00 87.43 C +HETATM 111 CD HYP A 18 -9.403 9.407 -5.142 1.00 88.75 C +HETATM 112 OD1 HYP A 18 -11.302 8.438 -4.143 1.00 91.04 O +ATOM 113 N GLY A 19 -10.785 7.524 -9.224 1.00 92.51 N +ATOM 114 CA GLY A 19 -10.698 7.625 -10.648 1.00 91.27 C +ATOM 115 C GLY A 19 -11.437 8.863 -11.131 1.00 91.53 C +ATOM 116 O GLY A 19 -12.110 9.541 -10.356 1.00 91.21 O +ATOM 117 N PRO A 20 -11.337 9.161 -12.417 1.00 88.51 N +ATOM 118 CA PRO A 20 -12.004 10.337 -12.970 1.00 88.08 C +ATOM 119 C PRO A 20 -13.505 10.137 -13.039 1.00 87.73 C +ATOM 120 O PRO A 20 -14.003 9.016 -13.023 1.00 86.54 O +ATOM 121 CB PRO A 20 -11.373 10.465 -14.359 1.00 85.44 C +ATOM 122 CG PRO A 20 -11.062 9.048 -14.710 1.00 82.39 C +ATOM 123 CD PRO A 20 -10.549 8.449 -13.419 1.00 85.22 C +HETATM 124 N HYP A 21 -14.299 11.237 -13.121 1.00 92.28 N +HETATM 125 CA HYP A 21 -15.707 11.138 -13.285 1.00 91.85 C +HETATM 126 C HYP A 21 -16.138 10.434 -14.563 1.00 92.19 C +HETATM 127 O HYP A 21 -15.431 10.538 -15.575 1.00 90.48 O +HETATM 128 CB HYP A 21 -16.158 12.637 -13.396 1.00 91.18 C +HETATM 129 CG HYP A 21 -15.112 13.383 -12.627 1.00 91.04 C +HETATM 130 CD HYP A 21 -13.848 12.612 -12.941 1.00 91.49 C +HETATM 131 OD1 HYP A 21 -15.357 13.298 -11.232 1.00 90.84 O +ATOM 132 N GLY A 22 -17.205 9.670 -14.505 1.00 89.74 N +ATOM 133 CA GLY A 22 -17.715 8.983 -15.656 1.00 88.56 C +ATOM 134 C GLY A 22 -18.288 9.977 -16.652 1.00 88.44 C +ATOM 135 O GLY A 22 -18.405 11.166 -16.350 1.00 87.78 O +ATOM 136 N PRO A 23 -18.689 9.512 -17.842 1.00 86.94 N +ATOM 137 CA PRO A 23 -19.240 10.408 -18.851 1.00 87.36 C +ATOM 138 C PRO A 23 -20.635 10.867 -18.465 1.00 86.64 C +ATOM 139 O PRO A 23 -21.324 10.221 -17.682 1.00 83.97 O +ATOM 140 CB PRO A 23 -19.249 9.548 -20.109 1.00 84.19 C +ATOM 141 CG PRO A 23 -19.449 8.176 -19.567 1.00 80.63 C +ATOM 142 CD PRO A 23 -18.595 8.143 -18.324 1.00 82.40 C +HETATM 143 N HYP A 24 -21.118 11.988 -19.030 1.00 88.86 N +HETATM 144 CA HYP A 24 -22.453 12.390 -18.741 1.00 90.03 C +HETATM 145 C HYP A 24 -23.442 11.380 -19.289 1.00 89.46 C +HETATM 146 O HYP A 24 -23.097 10.725 -20.275 1.00 89.56 O +HETATM 147 CB HYP A 24 -22.651 13.712 -19.563 1.00 91.12 C +HETATM 148 CG HYP A 24 -21.290 14.223 -19.830 1.00 90.08 C +HETATM 149 CD HYP A 24 -20.414 12.951 -19.855 1.00 89.59 C +HETATM 150 OD1 HYP A 24 -20.855 15.001 -18.739 1.00 86.27 O +HETATM 151 OXT HYP A 24 -24.554 11.322 -18.755 1.00 83.59 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_131.txt b/protein_pdb_131.txt new file mode 100644 index 0000000000000000000000000000000000000000..fb10056a655d2b782f4ae2cc7595621cd2b1233e --- /dev/null +++ b/protein_pdb_131.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 1.798 3.971 4.027 1.00 68.44 N +ATOM 2 CA GLY A 1 2.702 2.960 3.524 1.00 71.23 C +ATOM 3 C GLY A 1 2.660 2.895 2.017 1.00 72.73 C +ATOM 4 O GLY A 1 1.855 3.575 1.372 1.00 69.97 O +ATOM 5 N PRO A 2 3.502 2.046 1.386 1.00 68.24 N +ATOM 6 CA PRO A 2 3.546 1.924 -0.065 1.00 71.58 C +ATOM 7 C PRO A 2 2.316 1.190 -0.589 1.00 71.93 C +ATOM 8 O PRO A 2 1.641 0.489 0.150 1.00 70.13 O +ATOM 9 CB PRO A 2 4.812 1.104 -0.308 1.00 68.53 C +ATOM 10 CG PRO A 2 4.941 0.277 0.920 1.00 65.14 C +ATOM 11 CD PRO A 2 4.454 1.158 2.034 1.00 65.25 C +HETATM 12 N HYP A 3 1.993 1.374 -1.856 1.00 72.07 N +HETATM 13 CA HYP A 3 0.961 0.637 -2.473 1.00 77.06 C +HETATM 14 C HYP A 3 1.174 -0.876 -2.332 1.00 72.08 C +HETATM 15 O HYP A 3 2.336 -1.349 -2.314 1.00 75.09 O +HETATM 16 CB HYP A 3 1.075 1.130 -3.938 1.00 72.02 C +HETATM 17 CG HYP A 3 1.580 2.540 -3.814 1.00 69.84 C +HETATM 18 CD HYP A 3 2.603 2.395 -2.727 1.00 71.27 C +HETATM 19 OD1 HYP A 3 0.540 3.407 -3.390 1.00 73.76 O +ATOM 20 N GLY A 4 0.128 -1.583 -2.148 1.00 79.10 N +ATOM 21 CA GLY A 4 0.208 -3.006 -1.990 1.00 76.65 C +ATOM 22 C GLY A 4 0.740 -3.670 -3.247 1.00 75.31 C +ATOM 23 O GLY A 4 0.928 -3.029 -4.278 1.00 73.39 O +ATOM 24 N PRO A 5 0.980 -4.959 -3.152 1.00 78.14 N +ATOM 25 CA PRO A 5 1.460 -5.670 -4.322 1.00 75.96 C +ATOM 26 C PRO A 5 0.387 -5.720 -5.396 1.00 76.54 C +ATOM 27 O PRO A 5 -0.796 -5.570 -5.113 1.00 74.10 O +ATOM 28 CB PRO A 5 1.786 -7.062 -3.787 1.00 72.68 C +ATOM 29 CG PRO A 5 0.907 -7.206 -2.597 1.00 71.37 C +ATOM 30 CD PRO A 5 0.795 -5.826 -2.006 1.00 72.40 C +HETATM 31 N HYP A 6 0.813 -5.959 -6.622 1.00 77.28 N +HETATM 32 CA HYP A 6 -0.134 -6.074 -7.678 1.00 80.08 C +HETATM 33 C HYP A 6 -1.173 -7.146 -7.427 1.00 76.87 C +HETATM 34 O HYP A 6 -0.840 -8.200 -6.882 1.00 77.08 O +HETATM 35 CB HYP A 6 0.724 -6.298 -8.915 1.00 75.33 C +HETATM 36 CG HYP A 6 2.003 -5.556 -8.579 1.00 76.29 C +HETATM 37 CD HYP A 6 2.178 -5.878 -7.131 1.00 78.76 C +HETATM 38 OD1 HYP A 6 1.866 -4.173 -8.748 1.00 73.35 O +ATOM 39 N GLY A 7 -2.407 -6.829 -7.698 1.00 75.42 N +ATOM 40 CA GLY A 7 -3.478 -7.767 -7.491 1.00 73.35 C +ATOM 41 C GLY A 7 -3.481 -8.835 -8.561 1.00 73.80 C +ATOM 42 O GLY A 7 -2.606 -8.866 -9.435 1.00 72.26 O +ATOM 43 N PRO A 8 -4.466 -9.688 -8.524 1.00 72.24 N +ATOM 44 CA PRO A 8 -4.602 -10.691 -9.576 1.00 73.35 C +ATOM 45 C PRO A 8 -4.793 -10.000 -10.919 1.00 73.62 C +ATOM 46 O PRO A 8 -5.189 -8.839 -10.976 1.00 71.57 O +ATOM 47 CB PRO A 8 -5.855 -11.464 -9.177 1.00 70.80 C +ATOM 48 CG PRO A 8 -6.027 -11.182 -7.730 1.00 70.82 C +ATOM 49 CD PRO A 8 -5.510 -9.790 -7.524 1.00 71.73 C +HETATM 50 N HYP A 9 -4.490 -10.752 -12.013 1.00 72.87 N +HETATM 51 CA HYP A 9 -4.780 -10.192 -13.280 1.00 76.37 C +HETATM 52 C HYP A 9 -6.052 -9.507 -13.371 1.00 70.88 C +HETATM 53 O HYP A 9 -7.074 -10.044 -12.886 1.00 70.55 O +HETATM 54 CB HYP A 9 -4.415 -11.331 -14.230 1.00 73.17 C +HETATM 55 CG HYP A 9 -3.293 -12.081 -13.471 1.00 71.43 C +HETATM 56 CD HYP A 9 -3.714 -11.960 -12.042 1.00 72.89 C +HETATM 57 OD1 HYP A 9 -2.051 -11.476 -13.603 1.00 70.89 O +ATOM 58 N GLY A 10 -6.093 -8.220 -13.812 1.00 73.61 N +ATOM 59 CA GLY A 10 -7.280 -7.418 -13.957 1.00 71.65 C +ATOM 60 C GLY A 10 -7.724 -6.675 -12.715 1.00 71.59 C +ATOM 61 O GLY A 10 -8.683 -5.914 -12.778 1.00 68.12 O +ATOM 62 N CYS A 11 -7.067 -6.852 -11.589 1.00 74.89 N +ATOM 63 CA CYS A 11 -7.459 -6.235 -10.326 1.00 74.87 C +ATOM 64 C CYS A 11 -6.248 -5.660 -9.631 1.00 74.97 C +ATOM 65 O CYS A 11 -5.418 -6.396 -9.129 1.00 72.13 O +ATOM 66 CB CYS A 11 -8.109 -7.268 -9.414 1.00 69.57 C +ATOM 67 SG CYS A 11 -9.581 -8.032 -10.114 1.00 62.80 S +HETATM 68 N HYP A 12 -6.200 -4.330 -9.523 1.00 76.90 N +HETATM 69 CA HYP A 12 -5.038 -3.742 -8.827 1.00 79.17 C +HETATM 70 C HYP A 12 -4.971 -4.187 -7.349 1.00 81.42 C +HETATM 71 O HYP A 12 -6.014 -4.498 -6.762 1.00 78.98 O +HETATM 72 CB HYP A 12 -5.341 -2.241 -8.867 1.00 75.48 C +HETATM 73 CG HYP A 12 -6.211 -2.069 -10.056 1.00 75.17 C +HETATM 74 CD HYP A 12 -7.077 -3.285 -10.048 1.00 77.86 C +HETATM 75 OD1 HYP A 12 -5.433 -2.007 -11.231 1.00 74.64 O +ATOM 76 N GLY A 13 -3.764 -4.255 -6.851 1.00 78.20 N +ATOM 77 CA GLY A 13 -3.584 -4.652 -5.479 1.00 76.47 C +ATOM 78 C GLY A 13 -4.137 -3.604 -4.536 1.00 77.21 C +ATOM 79 O GLY A 13 -4.361 -2.454 -4.919 1.00 75.98 O +ATOM 80 N PRO A 14 -4.361 -3.981 -3.287 1.00 74.71 N +ATOM 81 CA PRO A 14 -4.847 -3.023 -2.315 1.00 74.98 C +ATOM 82 C PRO A 14 -3.722 -2.090 -1.888 1.00 75.51 C +ATOM 83 O PRO A 14 -2.550 -2.405 -2.039 1.00 72.13 O +ATOM 84 CB PRO A 14 -5.296 -3.907 -1.153 1.00 71.02 C +ATOM 85 CG PRO A 14 -4.380 -5.073 -1.235 1.00 69.27 C +ATOM 86 CD PRO A 14 -4.171 -5.305 -2.712 1.00 68.30 C +HETATM 87 N HYP A 15 -4.085 -0.988 -1.348 1.00 75.16 N +HETATM 88 CA HYP A 15 -3.103 -0.113 -0.786 1.00 77.28 C +HETATM 89 C HYP A 15 -2.318 -0.839 0.313 1.00 77.78 C +HETATM 90 O HYP A 15 -2.903 -1.691 1.025 1.00 76.69 O +HETATM 91 CB HYP A 15 -4.007 1.008 -0.216 1.00 74.48 C +HETATM 92 CG HYP A 15 -5.193 1.023 -1.149 1.00 72.91 C +HETATM 93 CD HYP A 15 -5.423 -0.436 -1.360 1.00 76.11 C +HETATM 94 OD1 HYP A 15 -4.868 1.643 -2.386 1.00 74.26 O +ATOM 95 N GLY A 16 -1.073 -0.528 0.389 1.00 76.91 N +ATOM 96 CA GLY A 16 -0.253 -1.129 1.402 1.00 73.05 C +ATOM 97 C GLY A 16 -0.686 -0.679 2.782 1.00 74.03 C +ATOM 98 O GLY A 16 -1.504 0.231 2.928 1.00 73.67 O +ATOM 99 N PRO A 17 -0.132 -1.305 3.804 1.00 70.20 N +ATOM 100 CA PRO A 17 -0.476 -0.893 5.157 1.00 71.58 C +ATOM 101 C PRO A 17 0.049 0.508 5.423 1.00 70.62 C +ATOM 102 O PRO A 17 0.992 0.963 4.791 1.00 69.60 O +ATOM 103 CB PRO A 17 0.205 -1.938 6.037 1.00 69.17 C +ATOM 104 CG PRO A 17 1.271 -2.515 5.193 1.00 67.22 C +ATOM 105 CD PRO A 17 0.801 -2.422 3.777 1.00 66.17 C +HETATM 106 N HYP A 18 -0.561 1.205 6.379 1.00 72.59 N +HETATM 107 CA HYP A 18 -0.083 2.501 6.709 1.00 75.78 C +HETATM 108 C HYP A 18 1.373 2.491 7.069 1.00 69.85 C +HETATM 109 O HYP A 18 1.879 1.509 7.652 1.00 72.14 O +HETATM 110 CB HYP A 18 -0.993 2.925 7.829 1.00 70.68 C +HETATM 111 CG HYP A 18 -2.289 2.187 7.551 1.00 69.33 C +HETATM 112 CD HYP A 18 -1.789 0.862 7.054 1.00 76.57 C +HETATM 113 OD1 HYP A 18 -3.044 2.822 6.533 1.00 76.20 O +ATOM 114 N GLY A 19 2.073 3.537 6.676 1.00 71.10 N +ATOM 115 CA GLY A 19 3.463 3.670 7.000 1.00 68.09 C +ATOM 116 C GLY A 19 3.659 3.801 8.505 1.00 67.01 C +ATOM 117 O GLY A 19 2.699 3.979 9.255 1.00 67.20 O +ATOM 118 N PRO A 20 4.900 3.731 8.944 1.00 69.61 N +ATOM 119 CA PRO A 20 5.158 3.866 10.367 1.00 70.65 C +ATOM 120 C PRO A 20 4.876 5.285 10.831 1.00 70.11 C +ATOM 121 O PRO A 20 4.864 6.222 10.040 1.00 70.40 O +ATOM 122 CB PRO A 20 6.641 3.511 10.495 1.00 67.92 C +ATOM 123 CG PRO A 20 7.201 3.770 9.151 1.00 65.32 C +ATOM 124 CD PRO A 20 6.105 3.489 8.166 1.00 65.73 C +HETATM 125 N HYP A 21 4.637 5.456 12.127 1.00 72.46 N +HETATM 126 CA HYP A 21 4.449 6.758 12.670 1.00 74.08 C +HETATM 127 C HYP A 21 5.626 7.672 12.386 1.00 73.26 C +HETATM 128 O HYP A 21 6.776 7.199 12.326 1.00 78.23 O +HETATM 129 CB HYP A 21 4.351 6.455 14.172 1.00 73.38 C +HETATM 130 CG HYP A 21 3.772 5.040 14.238 1.00 73.79 C +HETATM 131 CD HYP A 21 4.456 4.362 13.081 1.00 76.50 C +HETATM 132 OD1 HYP A 21 2.363 5.059 13.996 1.00 74.77 O +ATOM 133 N GLY A 22 5.366 8.939 12.135 1.00 69.51 N +ATOM 134 CA GLY A 22 6.412 9.899 11.896 1.00 66.76 C +ATOM 135 C GLY A 22 7.320 10.032 13.112 1.00 65.84 C +ATOM 136 O GLY A 22 6.989 9.572 14.204 1.00 65.47 O +ATOM 137 N PRO A 23 8.447 10.677 12.925 1.00 67.11 N +ATOM 138 CA PRO A 23 9.370 10.851 14.041 1.00 71.06 C +ATOM 139 C PRO A 23 8.822 11.858 15.029 1.00 70.53 C +ATOM 140 O PRO A 23 8.017 12.722 14.680 1.00 68.00 O +ATOM 141 CB PRO A 23 10.645 11.347 13.369 1.00 65.98 C +ATOM 142 CG PRO A 23 10.170 12.022 12.139 1.00 61.08 C +ATOM 143 CD PRO A 23 8.965 11.244 11.686 1.00 63.71 C +HETATM 144 N HYP A 24 9.261 11.837 16.257 1.00 73.87 N +HETATM 145 CA HYP A 24 8.828 12.799 17.191 1.00 68.12 C +HETATM 146 C HYP A 24 9.353 14.196 16.809 1.00 66.59 C +HETATM 147 O HYP A 24 10.324 14.220 16.045 1.00 72.46 O +HETATM 148 CB HYP A 24 9.579 12.408 18.507 1.00 71.57 C +HETATM 149 CG HYP A 24 9.927 10.972 18.347 1.00 72.21 C +HETATM 150 CD HYP A 24 10.167 10.837 16.824 1.00 74.09 C +HETATM 151 OD1 HYP A 24 8.801 10.180 18.687 1.00 75.70 O +HETATM 152 OXT HYP A 24 8.841 15.189 17.331 1.00 69.31 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_132.txt b/protein_pdb_132.txt new file mode 100644 index 0000000000000000000000000000000000000000..fb10056a655d2b782f4ae2cc7595621cd2b1233e --- /dev/null +++ b/protein_pdb_132.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 1.798 3.971 4.027 1.00 68.44 N +ATOM 2 CA GLY A 1 2.702 2.960 3.524 1.00 71.23 C +ATOM 3 C GLY A 1 2.660 2.895 2.017 1.00 72.73 C +ATOM 4 O GLY A 1 1.855 3.575 1.372 1.00 69.97 O +ATOM 5 N PRO A 2 3.502 2.046 1.386 1.00 68.24 N +ATOM 6 CA PRO A 2 3.546 1.924 -0.065 1.00 71.58 C +ATOM 7 C PRO A 2 2.316 1.190 -0.589 1.00 71.93 C +ATOM 8 O PRO A 2 1.641 0.489 0.150 1.00 70.13 O +ATOM 9 CB PRO A 2 4.812 1.104 -0.308 1.00 68.53 C +ATOM 10 CG PRO A 2 4.941 0.277 0.920 1.00 65.14 C +ATOM 11 CD PRO A 2 4.454 1.158 2.034 1.00 65.25 C +HETATM 12 N HYP A 3 1.993 1.374 -1.856 1.00 72.07 N +HETATM 13 CA HYP A 3 0.961 0.637 -2.473 1.00 77.06 C +HETATM 14 C HYP A 3 1.174 -0.876 -2.332 1.00 72.08 C +HETATM 15 O HYP A 3 2.336 -1.349 -2.314 1.00 75.09 O +HETATM 16 CB HYP A 3 1.075 1.130 -3.938 1.00 72.02 C +HETATM 17 CG HYP A 3 1.580 2.540 -3.814 1.00 69.84 C +HETATM 18 CD HYP A 3 2.603 2.395 -2.727 1.00 71.27 C +HETATM 19 OD1 HYP A 3 0.540 3.407 -3.390 1.00 73.76 O +ATOM 20 N GLY A 4 0.128 -1.583 -2.148 1.00 79.10 N +ATOM 21 CA GLY A 4 0.208 -3.006 -1.990 1.00 76.65 C +ATOM 22 C GLY A 4 0.740 -3.670 -3.247 1.00 75.31 C +ATOM 23 O GLY A 4 0.928 -3.029 -4.278 1.00 73.39 O +ATOM 24 N PRO A 5 0.980 -4.959 -3.152 1.00 78.14 N +ATOM 25 CA PRO A 5 1.460 -5.670 -4.322 1.00 75.96 C +ATOM 26 C PRO A 5 0.387 -5.720 -5.396 1.00 76.54 C +ATOM 27 O PRO A 5 -0.796 -5.570 -5.113 1.00 74.10 O +ATOM 28 CB PRO A 5 1.786 -7.062 -3.787 1.00 72.68 C +ATOM 29 CG PRO A 5 0.907 -7.206 -2.597 1.00 71.37 C +ATOM 30 CD PRO A 5 0.795 -5.826 -2.006 1.00 72.40 C +HETATM 31 N HYP A 6 0.813 -5.959 -6.622 1.00 77.28 N +HETATM 32 CA HYP A 6 -0.134 -6.074 -7.678 1.00 80.08 C +HETATM 33 C HYP A 6 -1.173 -7.146 -7.427 1.00 76.87 C +HETATM 34 O HYP A 6 -0.840 -8.200 -6.882 1.00 77.08 O +HETATM 35 CB HYP A 6 0.724 -6.298 -8.915 1.00 75.33 C +HETATM 36 CG HYP A 6 2.003 -5.556 -8.579 1.00 76.29 C +HETATM 37 CD HYP A 6 2.178 -5.878 -7.131 1.00 78.76 C +HETATM 38 OD1 HYP A 6 1.866 -4.173 -8.748 1.00 73.35 O +ATOM 39 N GLY A 7 -2.407 -6.829 -7.698 1.00 75.42 N +ATOM 40 CA GLY A 7 -3.478 -7.767 -7.491 1.00 73.35 C +ATOM 41 C GLY A 7 -3.481 -8.835 -8.561 1.00 73.80 C +ATOM 42 O GLY A 7 -2.606 -8.866 -9.435 1.00 72.26 O +ATOM 43 N PRO A 8 -4.466 -9.688 -8.524 1.00 72.24 N +ATOM 44 CA PRO A 8 -4.602 -10.691 -9.576 1.00 73.35 C +ATOM 45 C PRO A 8 -4.793 -10.000 -10.919 1.00 73.62 C +ATOM 46 O PRO A 8 -5.189 -8.839 -10.976 1.00 71.57 O +ATOM 47 CB PRO A 8 -5.855 -11.464 -9.177 1.00 70.80 C +ATOM 48 CG PRO A 8 -6.027 -11.182 -7.730 1.00 70.82 C +ATOM 49 CD PRO A 8 -5.510 -9.790 -7.524 1.00 71.73 C +HETATM 50 N HYP A 9 -4.490 -10.752 -12.013 1.00 72.87 N +HETATM 51 CA HYP A 9 -4.780 -10.192 -13.280 1.00 76.37 C +HETATM 52 C HYP A 9 -6.052 -9.507 -13.371 1.00 70.88 C +HETATM 53 O HYP A 9 -7.074 -10.044 -12.886 1.00 70.55 O +HETATM 54 CB HYP A 9 -4.415 -11.331 -14.230 1.00 73.17 C +HETATM 55 CG HYP A 9 -3.293 -12.081 -13.471 1.00 71.43 C +HETATM 56 CD HYP A 9 -3.714 -11.960 -12.042 1.00 72.89 C +HETATM 57 OD1 HYP A 9 -2.051 -11.476 -13.603 1.00 70.89 O +ATOM 58 N GLY A 10 -6.093 -8.220 -13.812 1.00 73.61 N +ATOM 59 CA GLY A 10 -7.280 -7.418 -13.957 1.00 71.65 C +ATOM 60 C GLY A 10 -7.724 -6.675 -12.715 1.00 71.59 C +ATOM 61 O GLY A 10 -8.683 -5.914 -12.778 1.00 68.12 O +ATOM 62 N CYS A 11 -7.067 -6.852 -11.589 1.00 74.89 N +ATOM 63 CA CYS A 11 -7.459 -6.235 -10.326 1.00 74.87 C +ATOM 64 C CYS A 11 -6.248 -5.660 -9.631 1.00 74.97 C +ATOM 65 O CYS A 11 -5.418 -6.396 -9.129 1.00 72.13 O +ATOM 66 CB CYS A 11 -8.109 -7.268 -9.414 1.00 69.57 C +ATOM 67 SG CYS A 11 -9.581 -8.032 -10.114 1.00 62.80 S +HETATM 68 N HYP A 12 -6.200 -4.330 -9.523 1.00 76.90 N +HETATM 69 CA HYP A 12 -5.038 -3.742 -8.827 1.00 79.17 C +HETATM 70 C HYP A 12 -4.971 -4.187 -7.349 1.00 81.42 C +HETATM 71 O HYP A 12 -6.014 -4.498 -6.762 1.00 78.98 O +HETATM 72 CB HYP A 12 -5.341 -2.241 -8.867 1.00 75.48 C +HETATM 73 CG HYP A 12 -6.211 -2.069 -10.056 1.00 75.17 C +HETATM 74 CD HYP A 12 -7.077 -3.285 -10.048 1.00 77.86 C +HETATM 75 OD1 HYP A 12 -5.433 -2.007 -11.231 1.00 74.64 O +ATOM 76 N GLY A 13 -3.764 -4.255 -6.851 1.00 78.20 N +ATOM 77 CA GLY A 13 -3.584 -4.652 -5.479 1.00 76.47 C +ATOM 78 C GLY A 13 -4.137 -3.604 -4.536 1.00 77.21 C +ATOM 79 O GLY A 13 -4.361 -2.454 -4.919 1.00 75.98 O +ATOM 80 N PRO A 14 -4.361 -3.981 -3.287 1.00 74.71 N +ATOM 81 CA PRO A 14 -4.847 -3.023 -2.315 1.00 74.98 C +ATOM 82 C PRO A 14 -3.722 -2.090 -1.888 1.00 75.51 C +ATOM 83 O PRO A 14 -2.550 -2.405 -2.039 1.00 72.13 O +ATOM 84 CB PRO A 14 -5.296 -3.907 -1.153 1.00 71.02 C +ATOM 85 CG PRO A 14 -4.380 -5.073 -1.235 1.00 69.27 C +ATOM 86 CD PRO A 14 -4.171 -5.305 -2.712 1.00 68.30 C +HETATM 87 N HYP A 15 -4.085 -0.988 -1.348 1.00 75.16 N +HETATM 88 CA HYP A 15 -3.103 -0.113 -0.786 1.00 77.28 C +HETATM 89 C HYP A 15 -2.318 -0.839 0.313 1.00 77.78 C +HETATM 90 O HYP A 15 -2.903 -1.691 1.025 1.00 76.69 O +HETATM 91 CB HYP A 15 -4.007 1.008 -0.216 1.00 74.48 C +HETATM 92 CG HYP A 15 -5.193 1.023 -1.149 1.00 72.91 C +HETATM 93 CD HYP A 15 -5.423 -0.436 -1.360 1.00 76.11 C +HETATM 94 OD1 HYP A 15 -4.868 1.643 -2.386 1.00 74.26 O +ATOM 95 N GLY A 16 -1.073 -0.528 0.389 1.00 76.91 N +ATOM 96 CA GLY A 16 -0.253 -1.129 1.402 1.00 73.05 C +ATOM 97 C GLY A 16 -0.686 -0.679 2.782 1.00 74.03 C +ATOM 98 O GLY A 16 -1.504 0.231 2.928 1.00 73.67 O +ATOM 99 N PRO A 17 -0.132 -1.305 3.804 1.00 70.20 N +ATOM 100 CA PRO A 17 -0.476 -0.893 5.157 1.00 71.58 C +ATOM 101 C PRO A 17 0.049 0.508 5.423 1.00 70.62 C +ATOM 102 O PRO A 17 0.992 0.963 4.791 1.00 69.60 O +ATOM 103 CB PRO A 17 0.205 -1.938 6.037 1.00 69.17 C +ATOM 104 CG PRO A 17 1.271 -2.515 5.193 1.00 67.22 C +ATOM 105 CD PRO A 17 0.801 -2.422 3.777 1.00 66.17 C +HETATM 106 N HYP A 18 -0.561 1.205 6.379 1.00 72.59 N +HETATM 107 CA HYP A 18 -0.083 2.501 6.709 1.00 75.78 C +HETATM 108 C HYP A 18 1.373 2.491 7.069 1.00 69.85 C +HETATM 109 O HYP A 18 1.879 1.509 7.652 1.00 72.14 O +HETATM 110 CB HYP A 18 -0.993 2.925 7.829 1.00 70.68 C +HETATM 111 CG HYP A 18 -2.289 2.187 7.551 1.00 69.33 C +HETATM 112 CD HYP A 18 -1.789 0.862 7.054 1.00 76.57 C +HETATM 113 OD1 HYP A 18 -3.044 2.822 6.533 1.00 76.20 O +ATOM 114 N GLY A 19 2.073 3.537 6.676 1.00 71.10 N +ATOM 115 CA GLY A 19 3.463 3.670 7.000 1.00 68.09 C +ATOM 116 C GLY A 19 3.659 3.801 8.505 1.00 67.01 C +ATOM 117 O GLY A 19 2.699 3.979 9.255 1.00 67.20 O +ATOM 118 N PRO A 20 4.900 3.731 8.944 1.00 69.61 N +ATOM 119 CA PRO A 20 5.158 3.866 10.367 1.00 70.65 C +ATOM 120 C PRO A 20 4.876 5.285 10.831 1.00 70.11 C +ATOM 121 O PRO A 20 4.864 6.222 10.040 1.00 70.40 O +ATOM 122 CB PRO A 20 6.641 3.511 10.495 1.00 67.92 C +ATOM 123 CG PRO A 20 7.201 3.770 9.151 1.00 65.32 C +ATOM 124 CD PRO A 20 6.105 3.489 8.166 1.00 65.73 C +HETATM 125 N HYP A 21 4.637 5.456 12.127 1.00 72.46 N +HETATM 126 CA HYP A 21 4.449 6.758 12.670 1.00 74.08 C +HETATM 127 C HYP A 21 5.626 7.672 12.386 1.00 73.26 C +HETATM 128 O HYP A 21 6.776 7.199 12.326 1.00 78.23 O +HETATM 129 CB HYP A 21 4.351 6.455 14.172 1.00 73.38 C +HETATM 130 CG HYP A 21 3.772 5.040 14.238 1.00 73.79 C +HETATM 131 CD HYP A 21 4.456 4.362 13.081 1.00 76.50 C +HETATM 132 OD1 HYP A 21 2.363 5.059 13.996 1.00 74.77 O +ATOM 133 N GLY A 22 5.366 8.939 12.135 1.00 69.51 N +ATOM 134 CA GLY A 22 6.412 9.899 11.896 1.00 66.76 C +ATOM 135 C GLY A 22 7.320 10.032 13.112 1.00 65.84 C +ATOM 136 O GLY A 22 6.989 9.572 14.204 1.00 65.47 O +ATOM 137 N PRO A 23 8.447 10.677 12.925 1.00 67.11 N +ATOM 138 CA PRO A 23 9.370 10.851 14.041 1.00 71.06 C +ATOM 139 C PRO A 23 8.822 11.858 15.029 1.00 70.53 C +ATOM 140 O PRO A 23 8.017 12.722 14.680 1.00 68.00 O +ATOM 141 CB PRO A 23 10.645 11.347 13.369 1.00 65.98 C +ATOM 142 CG PRO A 23 10.170 12.022 12.139 1.00 61.08 C +ATOM 143 CD PRO A 23 8.965 11.244 11.686 1.00 63.71 C +HETATM 144 N HYP A 24 9.261 11.837 16.257 1.00 73.87 N +HETATM 145 CA HYP A 24 8.828 12.799 17.191 1.00 68.12 C +HETATM 146 C HYP A 24 9.353 14.196 16.809 1.00 66.59 C +HETATM 147 O HYP A 24 10.324 14.220 16.045 1.00 72.46 O +HETATM 148 CB HYP A 24 9.579 12.408 18.507 1.00 71.57 C +HETATM 149 CG HYP A 24 9.927 10.972 18.347 1.00 72.21 C +HETATM 150 CD HYP A 24 10.167 10.837 16.824 1.00 74.09 C +HETATM 151 OD1 HYP A 24 8.801 10.180 18.687 1.00 75.70 O +HETATM 152 OXT HYP A 24 8.841 15.189 17.331 1.00 69.31 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_133.txt b/protein_pdb_133.txt new file mode 100644 index 0000000000000000000000000000000000000000..fdb7333074b404b03868e08fca9b30d616ad41e8 --- /dev/null +++ b/protein_pdb_133.txt @@ -0,0 +1,117 @@ +ATOM 1 N GLY A 1 1.134 -9.651 2.471 1.00 75.32 N +ATOM 2 CA GLY A 1 0.112 -8.930 3.192 1.00 76.60 C +ATOM 3 C GLY A 1 -0.700 -8.053 2.271 1.00 78.22 C +ATOM 4 O GLY A 1 -0.488 -8.045 1.059 1.00 74.54 O +ATOM 5 N PRO A 2 -1.674 -7.234 2.800 1.00 77.20 N +ATOM 6 CA PRO A 2 -2.567 -6.409 2.007 1.00 79.26 C +ATOM 7 C PRO A 2 -1.877 -5.170 1.451 1.00 79.51 C +ATOM 8 O PRO A 2 -0.827 -4.761 1.926 1.00 76.30 O +ATOM 9 CB PRO A 2 -3.664 -6.029 2.993 1.00 76.83 C +ATOM 10 CG PRO A 2 -2.985 -6.044 4.308 1.00 74.91 C +ATOM 11 CD PRO A 2 -1.961 -7.148 4.231 1.00 75.44 C +HETATM 12 N HYP A 3 -2.520 -4.601 0.437 1.00 75.48 N +HETATM 13 CA HYP A 3 -2.023 -3.329 -0.082 1.00 80.69 C +HETATM 14 C HYP A 3 -2.052 -2.241 0.960 1.00 80.69 C +HETATM 15 O HYP A 3 -2.858 -2.283 1.918 1.00 80.92 O +HETATM 16 CB HYP A 3 -3.214 -3.037 -1.070 1.00 77.29 C +HETATM 17 CG HYP A 3 -3.780 -4.359 -1.447 1.00 73.36 C +HETATM 18 CD HYP A 3 -3.673 -5.150 -0.185 1.00 75.78 C +HETATM 19 OD1 HYP A 3 -3.010 -4.962 -2.445 1.00 72.80 O +ATOM 20 N GLY A 4 -1.087 -1.366 0.849 1.00 79.33 N +ATOM 21 CA GLY A 4 -1.036 -0.253 1.757 1.00 77.58 C +ATOM 22 C GLY A 4 -2.212 0.687 1.566 1.00 77.74 C +ATOM 23 O GLY A 4 -3.012 0.536 0.643 1.00 75.25 O +ATOM 24 N PRO A 5 -2.313 1.672 2.430 1.00 75.01 N +ATOM 25 CA PRO A 5 -3.404 2.630 2.340 1.00 74.49 C +ATOM 26 C PRO A 5 -3.219 3.571 1.161 1.00 74.12 C +ATOM 27 O PRO A 5 -2.119 3.738 0.647 1.00 70.97 O +ATOM 28 CB PRO A 5 -3.323 3.374 3.663 1.00 72.19 C +ATOM 29 CG PRO A 5 -1.884 3.308 4.017 1.00 70.11 C +ATOM 30 CD PRO A 5 -1.410 1.967 3.524 1.00 69.99 C +HETATM 31 N HYP A 6 -4.324 4.199 0.770 1.00 73.66 N +HETATM 32 CA HYP A 6 -4.253 5.179 -0.240 1.00 76.36 C +HETATM 33 C HYP A 6 -3.330 6.325 0.066 1.00 73.76 C +HETATM 34 O HYP A 6 -3.270 6.721 1.243 1.00 75.32 O +HETATM 35 CB HYP A 6 -5.714 5.701 -0.228 1.00 73.27 C +HETATM 36 CG HYP A 6 -6.532 4.587 0.300 1.00 72.07 C +HETATM 37 CD HYP A 6 -5.650 3.974 1.295 1.00 73.40 C +HETATM 38 OD1 HYP A 6 -6.788 3.653 -0.711 1.00 70.70 O +ATOM 39 N GLY A 7 -2.550 6.758 -0.877 1.00 76.94 N +ATOM 40 CA GLY A 7 -1.689 7.898 -0.688 1.00 74.75 C +ATOM 41 C GLY A 7 -2.505 9.169 -0.542 1.00 76.23 C +ATOM 42 O GLY A 7 -3.726 9.168 -0.713 1.00 74.23 O +ATOM 43 N PRO A 8 -1.835 10.272 -0.257 1.00 71.82 N +ATOM 44 CA PRO A 8 -2.502 11.541 -0.045 1.00 72.97 C +ATOM 45 C PRO A 8 -2.563 12.377 -1.336 1.00 72.31 C +ATOM 46 O PRO A 8 -1.714 13.223 -1.558 1.00 69.08 O +ATOM 47 CB PRO A 8 -1.624 12.197 1.020 1.00 70.19 C +ATOM 48 CG PRO A 8 -0.251 11.697 0.700 1.00 68.66 C +ATOM 49 CD PRO A 8 -0.431 10.309 0.139 1.00 68.18 C +HETATM 50 N HYP A 9 -3.607 11.996 -2.017 1.00 72.17 N +HETATM 51 CA HYP A 9 -4.113 11.574 -3.104 1.00 75.07 C +HETATM 52 C HYP A 9 -3.522 10.640 -3.996 1.00 70.75 C +HETATM 53 O HYP A 9 -3.969 10.344 -5.140 1.00 75.33 O +HETATM 54 CB HYP A 9 -5.035 12.613 -3.708 1.00 66.06 C +HETATM 55 CG HYP A 9 -5.194 13.555 -2.592 1.00 68.87 C +HETATM 56 CD HYP A 9 -4.306 13.006 -1.512 1.00 70.03 C +HETATM 57 OD1 HYP A 9 -6.493 13.641 -2.084 1.00 71.24 O +ATOM 58 N GLY A 10 -2.510 9.886 -3.448 1.00 78.43 N +ATOM 59 CA GLY A 10 -1.824 8.849 -4.181 1.00 77.47 C +ATOM 60 C GLY A 10 -2.540 7.511 -4.131 1.00 79.41 C +ATOM 61 O GLY A 10 -3.557 7.357 -3.457 1.00 77.64 O +ATOM 62 N PRO A 11 -2.007 6.540 -4.860 1.00 78.90 N +ATOM 63 CA PRO A 11 -2.620 5.223 -4.950 1.00 80.39 C +ATOM 64 C PRO A 11 -2.332 4.382 -3.714 1.00 79.60 C +ATOM 65 O PRO A 11 -1.496 4.718 -2.890 1.00 75.59 O +ATOM 66 CB PRO A 11 -1.958 4.627 -6.183 1.00 77.45 C +ATOM 67 CG PRO A 11 -0.595 5.228 -6.172 1.00 76.10 C +ATOM 68 CD PRO A 11 -0.795 6.629 -5.670 1.00 77.60 C +HETATM 69 N HYP A 12 -3.053 3.248 -3.647 1.00 72.99 N +HETATM 70 CA HYP A 12 -2.762 2.340 -2.589 1.00 79.76 C +HETATM 71 C HYP A 12 -1.334 1.908 -2.599 1.00 75.69 C +HETATM 72 O HYP A 12 -0.712 1.762 -3.686 1.00 76.32 O +HETATM 73 CB HYP A 12 -3.638 1.155 -3.022 1.00 77.74 C +HETATM 74 CG HYP A 12 -4.697 1.699 -3.865 1.00 74.34 C +HETATM 75 CD HYP A 12 -4.014 2.804 -4.582 1.00 72.08 C +HETATM 76 OD1 HYP A 12 -5.739 2.198 -3.072 1.00 74.99 O +ATOM 77 N GLY A 13 -0.776 1.743 -1.412 1.00 78.92 N +ATOM 78 CA GLY A 13 0.569 1.260 -1.288 1.00 77.58 C +ATOM 79 C GLY A 13 0.703 -0.165 -1.790 1.00 78.20 C +ATOM 80 O GLY A 13 -0.282 -0.828 -2.107 1.00 76.45 O +ATOM 81 N PRO A 14 1.936 -0.620 -1.865 1.00 78.31 N +ATOM 82 CA PRO A 14 2.180 -1.961 -2.360 1.00 78.46 C +ATOM 83 C PRO A 14 1.757 -3.009 -1.348 1.00 79.22 C +ATOM 84 O PRO A 14 1.631 -2.732 -0.159 1.00 76.55 O +ATOM 85 CB PRO A 14 3.689 -1.985 -2.579 1.00 75.78 C +ATOM 86 CG PRO A 14 4.200 -1.012 -1.580 1.00 74.85 C +ATOM 87 CD PRO A 14 3.161 0.069 -1.492 1.00 74.77 C +HETATM 88 N HYP A 15 1.541 -4.202 -1.854 1.00 81.07 N +HETATM 89 CA HYP A 15 1.260 -5.296 -0.960 1.00 82.37 C +HETATM 90 C HYP A 15 2.392 -5.492 0.028 1.00 80.87 C +HETATM 91 O HYP A 15 3.559 -5.229 -0.259 1.00 79.72 O +HETATM 92 CB HYP A 15 1.327 -6.456 -1.972 1.00 79.45 C +HETATM 93 CG HYP A 15 0.965 -5.887 -3.269 1.00 77.56 C +HETATM 94 CD HYP A 15 1.561 -4.546 -3.237 1.00 76.87 C +HETATM 95 OD1 HYP A 15 -0.429 -5.728 -3.354 1.00 75.73 O +ATOM 96 N GLY A 16 2.025 -5.843 1.243 1.00 81.43 N +ATOM 97 CA GLY A 16 2.998 -6.180 2.242 1.00 80.29 C +ATOM 98 C GLY A 16 3.696 -7.487 1.912 1.00 81.01 C +ATOM 99 O GLY A 16 3.410 -8.124 0.899 1.00 79.43 O +ATOM 100 N PRO A 17 4.594 -7.890 2.763 1.00 76.84 N +ATOM 101 CA PRO A 17 5.285 -9.151 2.538 1.00 78.15 C +ATOM 102 C PRO A 17 4.322 -10.316 2.674 1.00 78.11 C +ATOM 103 O PRO A 17 3.307 -10.217 3.361 1.00 74.81 O +ATOM 104 CB PRO A 17 6.360 -9.165 3.619 1.00 74.36 C +ATOM 105 CG PRO A 17 5.806 -8.310 4.698 1.00 72.26 C +ATOM 106 CD PRO A 17 4.997 -7.249 4.003 1.00 72.09 C +HETATM 107 N HYP A 18 4.581 -11.391 2.067 1.00 76.38 N +HETATM 108 CA HYP A 18 3.631 -12.404 2.147 1.00 76.72 C +HETATM 109 C HYP A 18 2.720 -12.217 3.282 1.00 72.78 C +HETATM 110 O HYP A 18 3.204 -12.370 4.398 1.00 73.25 O +HETATM 111 CB HYP A 18 4.230 -13.650 1.836 1.00 73.93 C +HETATM 112 CG HYP A 18 5.487 -13.237 1.107 1.00 72.68 C +HETATM 113 CD HYP A 18 5.830 -11.868 1.644 1.00 75.60 C +HETATM 114 OD1 HYP A 18 5.260 -13.101 -0.282 1.00 75.11 O +HETATM 115 OXT HYP A 18 1.543 -11.925 3.031 1.00 72.24 O +TER 116 HYP A 18 +END diff --git a/protein_pdb_134.txt b/protein_pdb_134.txt new file mode 100644 index 0000000000000000000000000000000000000000..fdb7333074b404b03868e08fca9b30d616ad41e8 --- /dev/null +++ b/protein_pdb_134.txt @@ -0,0 +1,117 @@ +ATOM 1 N GLY A 1 1.134 -9.651 2.471 1.00 75.32 N +ATOM 2 CA GLY A 1 0.112 -8.930 3.192 1.00 76.60 C +ATOM 3 C GLY A 1 -0.700 -8.053 2.271 1.00 78.22 C +ATOM 4 O GLY A 1 -0.488 -8.045 1.059 1.00 74.54 O +ATOM 5 N PRO A 2 -1.674 -7.234 2.800 1.00 77.20 N +ATOM 6 CA PRO A 2 -2.567 -6.409 2.007 1.00 79.26 C +ATOM 7 C PRO A 2 -1.877 -5.170 1.451 1.00 79.51 C +ATOM 8 O PRO A 2 -0.827 -4.761 1.926 1.00 76.30 O +ATOM 9 CB PRO A 2 -3.664 -6.029 2.993 1.00 76.83 C +ATOM 10 CG PRO A 2 -2.985 -6.044 4.308 1.00 74.91 C +ATOM 11 CD PRO A 2 -1.961 -7.148 4.231 1.00 75.44 C +HETATM 12 N HYP A 3 -2.520 -4.601 0.437 1.00 75.48 N +HETATM 13 CA HYP A 3 -2.023 -3.329 -0.082 1.00 80.69 C +HETATM 14 C HYP A 3 -2.052 -2.241 0.960 1.00 80.69 C +HETATM 15 O HYP A 3 -2.858 -2.283 1.918 1.00 80.92 O +HETATM 16 CB HYP A 3 -3.214 -3.037 -1.070 1.00 77.29 C +HETATM 17 CG HYP A 3 -3.780 -4.359 -1.447 1.00 73.36 C +HETATM 18 CD HYP A 3 -3.673 -5.150 -0.185 1.00 75.78 C +HETATM 19 OD1 HYP A 3 -3.010 -4.962 -2.445 1.00 72.80 O +ATOM 20 N GLY A 4 -1.087 -1.366 0.849 1.00 79.33 N +ATOM 21 CA GLY A 4 -1.036 -0.253 1.757 1.00 77.58 C +ATOM 22 C GLY A 4 -2.212 0.687 1.566 1.00 77.74 C +ATOM 23 O GLY A 4 -3.012 0.536 0.643 1.00 75.25 O +ATOM 24 N PRO A 5 -2.313 1.672 2.430 1.00 75.01 N +ATOM 25 CA PRO A 5 -3.404 2.630 2.340 1.00 74.49 C +ATOM 26 C PRO A 5 -3.219 3.571 1.161 1.00 74.12 C +ATOM 27 O PRO A 5 -2.119 3.738 0.647 1.00 70.97 O +ATOM 28 CB PRO A 5 -3.323 3.374 3.663 1.00 72.19 C +ATOM 29 CG PRO A 5 -1.884 3.308 4.017 1.00 70.11 C +ATOM 30 CD PRO A 5 -1.410 1.967 3.524 1.00 69.99 C +HETATM 31 N HYP A 6 -4.324 4.199 0.770 1.00 73.66 N +HETATM 32 CA HYP A 6 -4.253 5.179 -0.240 1.00 76.36 C +HETATM 33 C HYP A 6 -3.330 6.325 0.066 1.00 73.76 C +HETATM 34 O HYP A 6 -3.270 6.721 1.243 1.00 75.32 O +HETATM 35 CB HYP A 6 -5.714 5.701 -0.228 1.00 73.27 C +HETATM 36 CG HYP A 6 -6.532 4.587 0.300 1.00 72.07 C +HETATM 37 CD HYP A 6 -5.650 3.974 1.295 1.00 73.40 C +HETATM 38 OD1 HYP A 6 -6.788 3.653 -0.711 1.00 70.70 O +ATOM 39 N GLY A 7 -2.550 6.758 -0.877 1.00 76.94 N +ATOM 40 CA GLY A 7 -1.689 7.898 -0.688 1.00 74.75 C +ATOM 41 C GLY A 7 -2.505 9.169 -0.542 1.00 76.23 C +ATOM 42 O GLY A 7 -3.726 9.168 -0.713 1.00 74.23 O +ATOM 43 N PRO A 8 -1.835 10.272 -0.257 1.00 71.82 N +ATOM 44 CA PRO A 8 -2.502 11.541 -0.045 1.00 72.97 C +ATOM 45 C PRO A 8 -2.563 12.377 -1.336 1.00 72.31 C +ATOM 46 O PRO A 8 -1.714 13.223 -1.558 1.00 69.08 O +ATOM 47 CB PRO A 8 -1.624 12.197 1.020 1.00 70.19 C +ATOM 48 CG PRO A 8 -0.251 11.697 0.700 1.00 68.66 C +ATOM 49 CD PRO A 8 -0.431 10.309 0.139 1.00 68.18 C +HETATM 50 N HYP A 9 -3.607 11.996 -2.017 1.00 72.17 N +HETATM 51 CA HYP A 9 -4.113 11.574 -3.104 1.00 75.07 C +HETATM 52 C HYP A 9 -3.522 10.640 -3.996 1.00 70.75 C +HETATM 53 O HYP A 9 -3.969 10.344 -5.140 1.00 75.33 O +HETATM 54 CB HYP A 9 -5.035 12.613 -3.708 1.00 66.06 C +HETATM 55 CG HYP A 9 -5.194 13.555 -2.592 1.00 68.87 C +HETATM 56 CD HYP A 9 -4.306 13.006 -1.512 1.00 70.03 C +HETATM 57 OD1 HYP A 9 -6.493 13.641 -2.084 1.00 71.24 O +ATOM 58 N GLY A 10 -2.510 9.886 -3.448 1.00 78.43 N +ATOM 59 CA GLY A 10 -1.824 8.849 -4.181 1.00 77.47 C +ATOM 60 C GLY A 10 -2.540 7.511 -4.131 1.00 79.41 C +ATOM 61 O GLY A 10 -3.557 7.357 -3.457 1.00 77.64 O +ATOM 62 N PRO A 11 -2.007 6.540 -4.860 1.00 78.90 N +ATOM 63 CA PRO A 11 -2.620 5.223 -4.950 1.00 80.39 C +ATOM 64 C PRO A 11 -2.332 4.382 -3.714 1.00 79.60 C +ATOM 65 O PRO A 11 -1.496 4.718 -2.890 1.00 75.59 O +ATOM 66 CB PRO A 11 -1.958 4.627 -6.183 1.00 77.45 C +ATOM 67 CG PRO A 11 -0.595 5.228 -6.172 1.00 76.10 C +ATOM 68 CD PRO A 11 -0.795 6.629 -5.670 1.00 77.60 C +HETATM 69 N HYP A 12 -3.053 3.248 -3.647 1.00 72.99 N +HETATM 70 CA HYP A 12 -2.762 2.340 -2.589 1.00 79.76 C +HETATM 71 C HYP A 12 -1.334 1.908 -2.599 1.00 75.69 C +HETATM 72 O HYP A 12 -0.712 1.762 -3.686 1.00 76.32 O +HETATM 73 CB HYP A 12 -3.638 1.155 -3.022 1.00 77.74 C +HETATM 74 CG HYP A 12 -4.697 1.699 -3.865 1.00 74.34 C +HETATM 75 CD HYP A 12 -4.014 2.804 -4.582 1.00 72.08 C +HETATM 76 OD1 HYP A 12 -5.739 2.198 -3.072 1.00 74.99 O +ATOM 77 N GLY A 13 -0.776 1.743 -1.412 1.00 78.92 N +ATOM 78 CA GLY A 13 0.569 1.260 -1.288 1.00 77.58 C +ATOM 79 C GLY A 13 0.703 -0.165 -1.790 1.00 78.20 C +ATOM 80 O GLY A 13 -0.282 -0.828 -2.107 1.00 76.45 O +ATOM 81 N PRO A 14 1.936 -0.620 -1.865 1.00 78.31 N +ATOM 82 CA PRO A 14 2.180 -1.961 -2.360 1.00 78.46 C +ATOM 83 C PRO A 14 1.757 -3.009 -1.348 1.00 79.22 C +ATOM 84 O PRO A 14 1.631 -2.732 -0.159 1.00 76.55 O +ATOM 85 CB PRO A 14 3.689 -1.985 -2.579 1.00 75.78 C +ATOM 86 CG PRO A 14 4.200 -1.012 -1.580 1.00 74.85 C +ATOM 87 CD PRO A 14 3.161 0.069 -1.492 1.00 74.77 C +HETATM 88 N HYP A 15 1.541 -4.202 -1.854 1.00 81.07 N +HETATM 89 CA HYP A 15 1.260 -5.296 -0.960 1.00 82.37 C +HETATM 90 C HYP A 15 2.392 -5.492 0.028 1.00 80.87 C +HETATM 91 O HYP A 15 3.559 -5.229 -0.259 1.00 79.72 O +HETATM 92 CB HYP A 15 1.327 -6.456 -1.972 1.00 79.45 C +HETATM 93 CG HYP A 15 0.965 -5.887 -3.269 1.00 77.56 C +HETATM 94 CD HYP A 15 1.561 -4.546 -3.237 1.00 76.87 C +HETATM 95 OD1 HYP A 15 -0.429 -5.728 -3.354 1.00 75.73 O +ATOM 96 N GLY A 16 2.025 -5.843 1.243 1.00 81.43 N +ATOM 97 CA GLY A 16 2.998 -6.180 2.242 1.00 80.29 C +ATOM 98 C GLY A 16 3.696 -7.487 1.912 1.00 81.01 C +ATOM 99 O GLY A 16 3.410 -8.124 0.899 1.00 79.43 O +ATOM 100 N PRO A 17 4.594 -7.890 2.763 1.00 76.84 N +ATOM 101 CA PRO A 17 5.285 -9.151 2.538 1.00 78.15 C +ATOM 102 C PRO A 17 4.322 -10.316 2.674 1.00 78.11 C +ATOM 103 O PRO A 17 3.307 -10.217 3.361 1.00 74.81 O +ATOM 104 CB PRO A 17 6.360 -9.165 3.619 1.00 74.36 C +ATOM 105 CG PRO A 17 5.806 -8.310 4.698 1.00 72.26 C +ATOM 106 CD PRO A 17 4.997 -7.249 4.003 1.00 72.09 C +HETATM 107 N HYP A 18 4.581 -11.391 2.067 1.00 76.38 N +HETATM 108 CA HYP A 18 3.631 -12.404 2.147 1.00 76.72 C +HETATM 109 C HYP A 18 2.720 -12.217 3.282 1.00 72.78 C +HETATM 110 O HYP A 18 3.204 -12.370 4.398 1.00 73.25 O +HETATM 111 CB HYP A 18 4.230 -13.650 1.836 1.00 73.93 C +HETATM 112 CG HYP A 18 5.487 -13.237 1.107 1.00 72.68 C +HETATM 113 CD HYP A 18 5.830 -11.868 1.644 1.00 75.60 C +HETATM 114 OD1 HYP A 18 5.260 -13.101 -0.282 1.00 75.11 O +HETATM 115 OXT HYP A 18 1.543 -11.925 3.031 1.00 72.24 O +TER 116 HYP A 18 +END diff --git a/protein_pdb_135.txt b/protein_pdb_135.txt new file mode 100644 index 0000000000000000000000000000000000000000..b07e20d16bf108d11ba5a1fefd098126d7216333 --- /dev/null +++ b/protein_pdb_135.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 -20.460 -19.282 24.971 1.00 93.10 N +ATOM 2 CA GLY A 1 -19.215 -19.598 24.276 1.00 94.43 C +ATOM 3 C GLY A 1 -18.348 -18.370 24.128 1.00 94.62 C +ATOM 4 O GLY A 1 -18.814 -17.252 24.363 1.00 93.07 O +ATOM 5 N PRO A 2 -17.096 -18.534 23.737 1.00 95.32 N +ATOM 6 CA PRO A 2 -16.185 -17.395 23.577 1.00 95.88 C +ATOM 7 C PRO A 2 -16.579 -16.516 22.397 1.00 95.74 C +ATOM 8 O PRO A 2 -17.238 -16.967 21.470 1.00 95.18 O +ATOM 9 CB PRO A 2 -14.820 -18.053 23.351 1.00 94.57 C +ATOM 10 CG PRO A 2 -15.160 -19.364 22.734 1.00 92.10 C +ATOM 11 CD PRO A 2 -16.426 -19.797 23.432 1.00 93.78 C +HETATM 12 N HYP A 3 -16.249 -15.338 22.456 1.00 95.46 N +HETATM 13 CA HYP A 3 -16.434 -14.355 21.319 1.00 92.65 C +HETATM 14 C HYP A 3 -15.799 -14.842 20.054 1.00 93.48 C +HETATM 15 O HYP A 3 -14.773 -15.566 20.081 1.00 94.77 O +HETATM 16 CB HYP A 3 -15.753 -13.108 21.875 1.00 92.34 C +HETATM 17 CG HYP A 3 -15.730 -13.252 23.392 1.00 91.91 C +HETATM 18 CD HYP A 3 -15.510 -14.756 23.580 1.00 93.69 C +HETATM 19 OD1 HYP A 3 -16.961 -12.895 23.971 1.00 93.02 O +ATOM 20 N GLY A 4 -16.354 -14.470 18.920 1.00 95.92 N +ATOM 21 CA GLY A 4 -15.785 -14.825 17.642 1.00 95.79 C +ATOM 22 C GLY A 4 -14.484 -14.071 17.397 1.00 95.91 C +ATOM 23 O GLY A 4 -14.155 -13.125 18.129 1.00 95.87 O +ATOM 24 N PRO A 5 -13.742 -14.464 16.384 1.00 96.02 N +ATOM 25 CA PRO A 5 -12.465 -13.806 16.093 1.00 96.08 C +ATOM 26 C PRO A 5 -12.669 -12.391 15.566 1.00 96.13 C +ATOM 27 O PRO A 5 -13.715 -12.072 15.014 1.00 96.14 O +ATOM 28 CB PRO A 5 -11.829 -14.714 15.036 1.00 94.89 C +ATOM 29 CG PRO A 5 -13.002 -15.323 14.358 1.00 92.86 C +ATOM 30 CD PRO A 5 -14.014 -15.555 15.465 1.00 94.84 C +HETATM 31 N HYP A 6 -11.693 -11.578 15.737 1.00 94.48 N +HETATM 32 CA HYP A 6 -11.721 -10.203 15.169 1.00 94.85 C +HETATM 33 C HYP A 6 -11.834 -10.215 13.673 1.00 93.68 C +HETATM 34 O HYP A 6 -11.336 -11.157 13.009 1.00 93.25 O +HETATM 35 CB HYP A 6 -10.329 -9.659 15.624 1.00 90.72 C +HETATM 36 CG HYP A 6 -9.947 -10.467 16.860 1.00 89.70 C +HETATM 37 CD HYP A 6 -10.502 -11.848 16.527 1.00 92.37 C +HETATM 38 OD1 HYP A 6 -10.599 -9.974 18.016 1.00 90.87 O +ATOM 39 N GLY A 7 -12.476 -9.194 13.108 1.00 95.91 N +ATOM 40 CA GLY A 7 -12.606 -9.079 11.679 1.00 95.56 C +ATOM 41 C GLY A 7 -11.258 -8.799 11.037 1.00 95.73 C +ATOM 42 O GLY A 7 -10.280 -8.492 11.719 1.00 95.63 O +ATOM 43 N PRO A 8 -11.201 -8.880 9.710 1.00 95.31 N +ATOM 44 CA PRO A 8 -9.939 -8.643 9.013 1.00 95.25 C +ATOM 45 C PRO A 8 -9.545 -7.177 9.033 1.00 95.11 C +ATOM 46 O PRO A 8 -10.394 -6.298 9.126 1.00 94.78 O +ATOM 47 CB PRO A 8 -10.230 -9.122 7.594 1.00 93.84 C +ATOM 48 CG PRO A 8 -11.697 -8.891 7.445 1.00 92.93 C +ATOM 49 CD PRO A 8 -12.271 -9.233 8.803 1.00 94.51 C +HETATM 50 N HYP A 9 -8.297 -6.899 8.914 1.00 92.75 N +HETATM 51 CA HYP A 9 -7.772 -5.544 8.848 1.00 92.87 C +HETATM 52 C HYP A 9 -8.236 -4.855 7.600 1.00 93.27 C +HETATM 53 O HYP A 9 -8.409 -5.512 6.539 1.00 91.81 O +HETATM 54 CB HYP A 9 -6.203 -5.776 8.759 1.00 91.80 C +HETATM 55 CG HYP A 9 -5.997 -7.108 9.416 1.00 89.34 C +HETATM 56 CD HYP A 9 -7.223 -7.879 9.000 1.00 92.39 C +HETATM 57 OD1 HYP A 9 -5.985 -6.944 10.817 1.00 88.68 O +ATOM 58 N GLY A 10 -8.401 -3.540 7.645 1.00 94.67 N +ATOM 59 CA GLY A 10 -8.738 -2.778 6.469 1.00 93.47 C +ATOM 60 C GLY A 10 -7.576 -2.778 5.486 1.00 93.87 C +ATOM 61 O GLY A 10 -6.422 -3.009 5.858 1.00 93.45 O +ATOM 62 N MET A 11 -7.892 -2.518 4.214 1.00 94.55 N +ATOM 63 CA MET A 11 -6.858 -2.484 3.184 1.00 94.34 C +ATOM 64 C MET A 11 -6.143 -1.138 3.168 1.00 94.23 C +ATOM 65 O MET A 11 -6.745 -0.098 3.443 1.00 92.26 O +ATOM 66 CB MET A 11 -7.458 -2.754 1.808 1.00 92.39 C +ATOM 67 CG MET A 11 -8.028 -4.146 1.665 1.00 87.84 C +ATOM 68 SD MET A 11 -8.585 -4.459 -0.015 1.00 84.26 S +ATOM 69 CE MET A 11 -9.988 -3.368 -0.109 1.00 76.66 C +ATOM 70 N ARG A 12 -4.861 -1.165 2.834 1.00 93.24 N +ATOM 71 CA ARG A 12 -4.085 0.052 2.696 1.00 93.19 C +ATOM 72 C ARG A 12 -4.616 0.838 1.499 1.00 93.64 C +ATOM 73 O ARG A 12 -5.040 0.246 0.511 1.00 91.66 O +ATOM 74 CB ARG A 12 -2.599 -0.287 2.502 1.00 89.61 C +ATOM 75 CG ARG A 12 -1.709 0.940 2.412 1.00 82.60 C +ATOM 76 CD ARG A 12 -0.263 0.580 2.130 1.00 79.26 C +ATOM 77 NE ARG A 12 0.344 -0.159 3.219 1.00 74.94 N +ATOM 78 CZ ARG A 12 1.621 -0.506 3.275 1.00 71.25 C +ATOM 79 NH1 ARG A 12 2.454 -0.173 2.293 1.00 69.21 N +ATOM 80 NH2 ARG A 12 2.077 -1.181 4.301 1.00 64.58 N +ATOM 81 N GLY A 13 -4.589 2.156 1.637 1.00 93.61 N +ATOM 82 CA GLY A 13 -5.022 3.005 0.546 1.00 92.22 C +ATOM 83 C GLY A 13 -4.094 2.919 -0.648 1.00 92.63 C +ATOM 84 O GLY A 13 -3.009 2.339 -0.565 1.00 93.26 O +ATOM 85 N PRO A 14 -4.495 3.500 -1.787 1.00 93.14 N +ATOM 86 CA PRO A 14 -3.676 3.440 -2.997 1.00 93.58 C +ATOM 87 C PRO A 14 -2.410 4.273 -2.873 1.00 93.50 C +ATOM 88 O PRO A 14 -2.342 5.201 -2.076 1.00 93.75 O +ATOM 89 CB PRO A 14 -4.601 3.989 -4.080 1.00 92.11 C +ATOM 90 CG PRO A 14 -5.496 4.917 -3.333 1.00 90.13 C +ATOM 91 CD PRO A 14 -5.738 4.226 -2.014 1.00 91.31 C +HETATM 92 N HYP A 15 -1.421 3.961 -3.704 1.00 87.78 N +HETATM 93 CA HYP A 15 -0.172 4.708 -3.750 1.00 87.07 C +HETATM 94 C HYP A 15 -0.408 6.170 -4.173 1.00 89.88 C +HETATM 95 O HYP A 15 -1.388 6.440 -4.909 1.00 88.56 O +HETATM 96 CB HYP A 15 0.615 3.960 -4.847 1.00 84.97 C +HETATM 97 CG HYP A 15 0.037 2.552 -4.816 1.00 83.63 C +HETATM 98 CD HYP A 15 -1.421 2.788 -4.536 1.00 89.54 C +HETATM 99 OD1 HYP A 15 0.606 1.814 -3.778 1.00 87.54 O +ATOM 100 N GLY A 16 0.382 7.046 -3.653 1.00 95.11 N +ATOM 101 CA GLY A 16 0.285 8.424 -4.056 1.00 94.27 C +ATOM 102 C GLY A 16 0.765 8.596 -5.484 1.00 94.60 C +ATOM 103 O GLY A 16 1.338 7.677 -6.073 1.00 95.26 O +ATOM 104 N PRO A 17 0.539 9.784 -6.066 1.00 90.91 N +ATOM 105 CA PRO A 17 0.966 10.032 -7.440 1.00 91.18 C +ATOM 106 C PRO A 17 2.482 10.110 -7.553 1.00 91.01 C +ATOM 107 O PRO A 17 3.171 10.419 -6.587 1.00 92.29 O +ATOM 108 CB PRO A 17 0.301 11.355 -7.785 1.00 89.39 C +ATOM 109 CG PRO A 17 0.191 12.037 -6.461 1.00 86.84 C +ATOM 110 CD PRO A 17 -0.140 10.939 -5.491 1.00 87.92 C +HETATM 111 N HYP A 18 3.002 9.857 -8.765 1.00 89.17 N +HETATM 112 CA HYP A 18 4.427 9.987 -9.000 1.00 91.95 C +HETATM 113 C HYP A 18 4.911 11.419 -8.824 1.00 87.78 C +HETATM 114 O HYP A 18 4.156 12.393 -9.066 1.00 91.91 O +HETATM 115 CB HYP A 18 4.555 9.554 -10.467 1.00 88.38 C +HETATM 116 CG HYP A 18 3.404 8.620 -10.718 1.00 85.54 C +HETATM 117 CD HYP A 18 2.301 9.240 -9.888 1.00 90.49 C +HETATM 118 OD1 HYP A 18 3.665 7.326 -10.253 1.00 91.13 O +ATOM 119 N GLY A 19 6.118 11.583 -8.323 1.00 92.82 N +ATOM 120 CA GLY A 19 6.688 12.893 -8.149 1.00 92.15 C +ATOM 121 C GLY A 19 7.001 13.520 -9.498 1.00 92.12 C +ATOM 122 O GLY A 19 6.954 12.854 -10.533 1.00 92.43 O +ATOM 123 N PRO A 20 7.324 14.818 -9.501 1.00 91.00 N +ATOM 124 CA PRO A 20 7.638 15.491 -10.752 1.00 90.79 C +ATOM 125 C PRO A 20 8.991 15.051 -11.301 1.00 90.12 C +ATOM 126 O PRO A 20 9.835 14.550 -10.559 1.00 90.77 O +ATOM 127 CB PRO A 20 7.644 16.968 -10.355 1.00 88.24 C +ATOM 128 CG PRO A 20 8.053 16.935 -8.924 1.00 84.75 C +ATOM 129 CD PRO A 20 7.379 15.718 -8.357 1.00 86.61 C +HETATM 130 N HYP A 21 9.225 15.226 -12.615 1.00 92.15 N +HETATM 131 CA HYP A 21 10.514 14.932 -13.218 1.00 89.58 C +HETATM 132 C HYP A 21 11.651 15.749 -12.648 1.00 91.99 C +HETATM 133 O HYP A 21 11.430 16.884 -12.207 1.00 93.96 O +HETATM 134 CB HYP A 21 10.284 15.336 -14.693 1.00 90.69 C +HETATM 135 CG HYP A 21 8.798 15.164 -14.915 1.00 87.98 C +HETATM 136 CD HYP A 21 8.207 15.593 -13.600 1.00 91.65 C +HETATM 137 OD1 HYP A 21 8.474 13.811 -15.144 1.00 91.13 O +ATOM 138 N GLY A 22 12.836 15.206 -12.554 1.00 92.12 N +ATOM 139 CA GLY A 22 13.984 15.911 -12.060 1.00 91.75 C +ATOM 140 C GLY A 22 14.364 17.046 -12.999 1.00 91.80 C +ATOM 141 O GLY A 22 13.801 17.179 -14.082 1.00 91.05 O +ATOM 142 N PRO A 23 15.340 17.876 -12.624 1.00 93.74 N +ATOM 143 CA PRO A 23 15.752 18.992 -13.474 1.00 93.85 C +ATOM 144 C PRO A 23 16.421 18.503 -14.744 1.00 93.24 C +ATOM 145 O PRO A 23 17.005 17.418 -14.776 1.00 91.31 O +ATOM 146 CB PRO A 23 16.714 19.781 -12.584 1.00 91.42 C +ATOM 147 CG PRO A 23 17.257 18.751 -11.656 1.00 89.29 C +ATOM 148 CD PRO A 23 16.098 17.826 -11.381 1.00 91.70 C +HETATM 149 N HYP A 24 16.450 19.284 -15.829 1.00 93.95 N +HETATM 150 CA HYP A 24 17.023 18.819 -17.073 1.00 90.34 C +HETATM 151 C HYP A 24 18.482 18.446 -16.971 1.00 90.38 C +HETATM 152 O HYP A 24 19.174 19.070 -16.154 1.00 91.94 O +HETATM 153 CB HYP A 24 16.859 20.066 -18.036 1.00 91.31 C +HETATM 154 CG HYP A 24 15.775 20.887 -17.420 1.00 90.43 C +HETATM 155 CD HYP A 24 15.913 20.629 -15.917 1.00 92.24 C +HETATM 156 OD1 HYP A 24 14.526 20.422 -17.866 1.00 88.29 O +HETATM 157 OXT HYP A 24 18.900 17.547 -17.747 1.00 87.75 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_136.txt b/protein_pdb_136.txt new file mode 100644 index 0000000000000000000000000000000000000000..a97d13b8a05e61c13bf4ef3494475b327830d08b --- /dev/null +++ b/protein_pdb_136.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 -26.187 22.328 5.279 1.00 93.20 N +ATOM 2 CA GLY A 1 -24.811 22.749 5.530 1.00 94.83 C +ATOM 3 C GLY A 1 -23.921 22.508 4.329 1.00 95.52 C +ATOM 4 O GLY A 1 -24.336 21.852 3.375 1.00 93.76 O +ATOM 5 N PRO A 2 -22.698 23.009 4.340 1.00 96.62 N +ATOM 6 CA PRO A 2 -21.779 22.816 3.218 1.00 97.08 C +ATOM 7 C PRO A 2 -21.301 21.369 3.130 1.00 97.34 C +ATOM 8 O PRO A 2 -21.403 20.615 4.095 1.00 96.61 O +ATOM 9 CB PRO A 2 -20.627 23.772 3.528 1.00 95.92 C +ATOM 10 CG PRO A 2 -20.620 23.826 5.020 1.00 93.88 C +ATOM 11 CD PRO A 2 -22.071 23.800 5.398 1.00 95.52 C +HETATM 12 N HYP A 3 -20.811 21.007 1.989 1.00 97.46 N +HETATM 13 CA HYP A 3 -20.218 19.691 1.780 1.00 97.15 C +HETATM 14 C HYP A 3 -19.073 19.416 2.732 1.00 98.08 C +HETATM 15 O HYP A 3 -18.340 20.368 3.105 1.00 97.07 O +HETATM 16 CB HYP A 3 -19.764 19.721 0.331 1.00 95.41 C +HETATM 17 CG HYP A 3 -20.606 20.785 -0.320 1.00 94.82 C +HETATM 18 CD HYP A 3 -20.767 21.805 0.790 1.00 96.54 C +HETATM 19 OD1 HYP A 3 -21.847 20.307 -0.742 1.00 94.95 O +ATOM 20 N GLY A 4 -18.919 18.171 3.172 1.00 97.72 N +ATOM 21 CA GLY A 4 -17.851 17.812 4.077 1.00 97.59 C +ATOM 22 C GLY A 4 -16.500 17.878 3.385 1.00 97.71 C +ATOM 23 O GLY A 4 -16.425 17.995 2.156 1.00 97.46 O +ATOM 24 N PRO A 5 -15.415 17.788 4.159 1.00 97.62 N +ATOM 25 CA PRO A 5 -14.074 17.841 3.583 1.00 97.78 C +ATOM 26 C PRO A 5 -13.756 16.562 2.818 1.00 97.83 C +ATOM 27 O PRO A 5 -14.388 15.531 3.023 1.00 97.66 O +ATOM 28 CB PRO A 5 -13.176 18.020 4.798 1.00 97.07 C +ATOM 29 CG PRO A 5 -13.929 17.314 5.876 1.00 95.65 C +ATOM 30 CD PRO A 5 -15.375 17.641 5.604 1.00 97.00 C +HETATM 31 N HYP A 6 -12.804 16.649 1.943 1.00 97.98 N +HETATM 32 CA HYP A 6 -12.285 15.441 1.266 1.00 97.45 C +HETATM 33 C HYP A 6 -11.817 14.378 2.192 1.00 98.08 C +HETATM 34 O HYP A 6 -11.320 14.721 3.287 1.00 97.30 O +HETATM 35 CB HYP A 6 -11.171 16.001 0.379 1.00 95.23 C +HETATM 36 CG HYP A 6 -11.581 17.436 0.137 1.00 94.92 C +HETATM 37 CD HYP A 6 -12.176 17.819 1.481 1.00 96.80 C +HETATM 38 OD1 HYP A 6 -12.543 17.525 -0.871 1.00 93.34 O +ATOM 39 N GLY A 7 -11.991 13.097 1.860 1.00 97.71 N +ATOM 40 CA GLY A 7 -11.586 12.001 2.700 1.00 97.56 C +ATOM 41 C GLY A 7 -10.080 11.921 2.833 1.00 97.83 C +ATOM 42 O GLY A 7 -9.342 12.615 2.122 1.00 97.67 O +ATOM 43 N PRO A 8 -9.597 11.070 3.741 1.00 97.81 N +ATOM 44 CA PRO A 8 -8.167 10.919 3.948 1.00 97.85 C +ATOM 45 C PRO A 8 -7.513 10.190 2.784 1.00 97.91 C +ATOM 46 O PRO A 8 -8.183 9.523 2.002 1.00 97.57 O +ATOM 47 CB PRO A 8 -8.082 10.111 5.240 1.00 97.29 C +ATOM 48 CG PRO A 8 -9.328 9.286 5.199 1.00 96.38 C +ATOM 49 CD PRO A 8 -10.368 10.216 4.619 1.00 97.42 C +HETATM 50 N HYP A 9 -6.247 10.279 2.650 1.00 97.95 N +HETATM 51 CA HYP A 9 -5.465 9.546 1.657 1.00 97.57 C +HETATM 52 C HYP A 9 -5.610 8.070 1.775 1.00 98.07 C +HETATM 53 O HYP A 9 -5.804 7.561 2.883 1.00 97.39 O +HETATM 54 CB HYP A 9 -3.996 9.973 1.925 1.00 96.19 C +HETATM 55 CG HYP A 9 -4.146 11.308 2.589 1.00 95.06 C +HETATM 56 CD HYP A 9 -5.413 11.165 3.396 1.00 96.75 C +HETATM 57 OD1 HYP A 9 -4.327 12.336 1.623 1.00 93.79 O +ATOM 58 N GLY A 10 -5.524 7.344 0.681 1.00 97.51 N +ATOM 59 CA GLY A 10 -5.614 5.906 0.690 1.00 97.17 C +ATOM 60 C GLY A 10 -4.439 5.285 1.424 1.00 97.57 C +ATOM 61 O GLY A 10 -3.432 5.936 1.705 1.00 97.04 O +ATOM 62 N ARG A 11 -4.569 4.009 1.739 1.00 97.55 N +ATOM 63 CA ARG A 11 -3.516 3.275 2.434 1.00 97.59 C +ATOM 64 C ARG A 11 -2.326 3.058 1.501 1.00 97.53 C +ATOM 65 O ARG A 11 -2.493 2.909 0.291 1.00 96.74 O +ATOM 66 CB ARG A 11 -4.033 1.924 2.908 1.00 96.32 C +ATOM 67 CG ARG A 11 -5.162 2.008 3.923 1.00 92.09 C +ATOM 68 CD ARG A 11 -5.753 0.640 4.168 1.00 90.05 C +ATOM 69 NE ARG A 11 -4.806 -0.256 4.811 1.00 85.25 N +ATOM 70 CZ ARG A 11 -4.847 -1.583 4.734 1.00 82.87 C +ATOM 71 NH1 ARG A 11 -5.784 -2.186 4.028 1.00 79.48 N +ATOM 72 NH2 ARG A 11 -3.942 -2.301 5.354 1.00 80.30 N +ATOM 73 N MET A 12 -1.126 3.002 2.083 1.00 97.56 N +ATOM 74 CA MET A 12 0.060 2.698 1.307 1.00 97.59 C +ATOM 75 C MET A 12 -0.046 1.268 0.774 1.00 97.76 C +ATOM 76 O MET A 12 -0.543 0.381 1.469 1.00 96.51 O +ATOM 77 CB MET A 12 1.311 2.852 2.172 1.00 96.00 C +ATOM 78 CG MET A 12 2.614 2.633 1.416 1.00 89.11 C +ATOM 79 SD MET A 12 4.064 2.964 2.433 1.00 86.08 S +ATOM 80 CE MET A 12 3.955 4.722 2.616 1.00 78.90 C +ATOM 81 N GLY A 13 0.409 1.067 -0.460 1.00 97.68 N +ATOM 82 CA GLY A 13 0.360 -0.249 -1.059 1.00 97.59 C +ATOM 83 C GLY A 13 1.251 -1.251 -0.342 1.00 97.93 C +ATOM 84 O GLY A 13 2.106 -0.870 0.453 1.00 97.76 O +ATOM 85 N PRO A 14 1.065 -2.546 -0.614 1.00 97.64 N +ATOM 86 CA PRO A 14 1.863 -3.578 0.037 1.00 97.78 C +ATOM 87 C PRO A 14 3.292 -3.581 -0.481 1.00 98.00 C +ATOM 88 O PRO A 14 3.569 -3.081 -1.564 1.00 97.82 O +ATOM 89 CB PRO A 14 1.132 -4.872 -0.332 1.00 97.12 C +ATOM 90 CG PRO A 14 0.541 -4.564 -1.663 1.00 96.01 C +ATOM 91 CD PRO A 14 0.093 -3.126 -1.545 1.00 97.01 C +HETATM 92 N HYP A 15 4.216 -4.133 0.279 1.00 97.68 N +HETATM 93 CA HYP A 15 5.588 -4.325 -0.139 1.00 97.37 C +HETATM 94 C HYP A 15 5.702 -5.185 -1.374 1.00 98.08 C +HETATM 95 O HYP A 15 4.823 -6.042 -1.594 1.00 96.86 O +HETATM 96 CB HYP A 15 6.221 -5.011 1.071 1.00 97.13 C +HETATM 97 CG HYP A 15 5.358 -4.577 2.237 1.00 96.02 C +HETATM 98 CD HYP A 15 3.991 -4.541 1.635 1.00 96.78 C +HETATM 99 OD1 HYP A 15 5.703 -3.279 2.700 1.00 95.55 O +ATOM 100 N GLY A 16 6.679 -4.985 -2.189 1.00 98.11 N +ATOM 101 CA GLY A 16 6.888 -5.807 -3.355 1.00 97.87 C +ATOM 102 C GLY A 16 7.285 -7.215 -2.954 1.00 98.00 C +ATOM 103 O GLY A 16 7.558 -7.491 -1.784 1.00 97.91 O +ATOM 104 N PRO A 17 7.326 -8.130 -3.924 1.00 97.41 N +ATOM 105 CA PRO A 17 7.682 -9.512 -3.624 1.00 97.38 C +ATOM 106 C PRO A 17 9.158 -9.640 -3.275 1.00 97.41 C +ATOM 107 O PRO A 17 9.963 -8.780 -3.615 1.00 97.09 O +ATOM 108 CB PRO A 17 7.335 -10.252 -4.918 1.00 96.50 C +ATOM 109 CG PRO A 17 7.536 -9.211 -5.968 1.00 95.52 C +ATOM 110 CD PRO A 17 7.024 -7.942 -5.338 1.00 96.89 C +HETATM 111 N HYP A 18 9.549 -10.713 -2.604 1.00 97.67 N +HETATM 112 CA HYP A 18 10.925 -11.006 -2.317 1.00 96.85 C +HETATM 113 C HYP A 18 11.777 -11.105 -3.552 1.00 97.78 C +HETATM 114 O HYP A 18 11.286 -11.582 -4.594 1.00 97.13 O +HETATM 115 CB HYP A 18 10.872 -12.340 -1.573 1.00 96.30 C +HETATM 116 CG HYP A 18 9.468 -12.393 -0.992 1.00 96.00 C +HETATM 117 CD HYP A 18 8.666 -11.705 -2.048 1.00 96.84 C +HETATM 118 OD1 HYP A 18 9.378 -11.655 0.219 1.00 95.36 O +ATOM 119 N GLY A 19 12.995 -10.627 -3.516 1.00 97.12 N +ATOM 120 CA GLY A 19 13.890 -10.709 -4.639 1.00 97.15 C +ATOM 121 C GLY A 19 14.247 -12.154 -4.931 1.00 97.42 C +ATOM 122 O GLY A 19 13.967 -13.052 -4.129 1.00 97.32 O +ATOM 123 N PRO A 20 14.880 -12.400 -6.073 1.00 96.70 N +ATOM 124 CA PRO A 20 15.259 -13.764 -6.429 1.00 96.69 C +ATOM 125 C PRO A 20 16.426 -14.250 -5.577 1.00 96.82 C +ATOM 126 O PRO A 20 17.166 -13.447 -5.016 1.00 96.28 O +ATOM 127 CB PRO A 20 15.634 -13.646 -7.902 1.00 95.42 C +ATOM 128 CG PRO A 20 16.146 -12.244 -8.008 1.00 94.00 C +ATOM 129 CD PRO A 20 15.247 -11.440 -7.115 1.00 96.03 C +HETATM 130 N HYP A 21 16.622 -15.552 -5.471 1.00 96.85 N +HETATM 131 CA HYP A 21 17.749 -16.117 -4.795 1.00 95.88 C +HETATM 132 C HYP A 21 19.073 -15.667 -5.365 1.00 97.29 C +HETATM 133 O HYP A 21 19.151 -15.424 -6.574 1.00 96.52 O +HETATM 134 CB HYP A 21 17.578 -17.644 -4.957 1.00 95.29 C +HETATM 135 CG HYP A 21 16.084 -17.852 -5.144 1.00 94.23 C +HETATM 136 CD HYP A 21 15.699 -16.617 -5.922 1.00 95.28 C +HETATM 137 OD1 HYP A 21 15.394 -17.851 -3.907 1.00 94.10 O +ATOM 138 N GLY A 22 20.096 -15.501 -4.584 1.00 95.72 N +ATOM 139 CA GLY A 22 21.399 -15.109 -5.054 1.00 95.45 C +ATOM 140 C GLY A 22 21.985 -16.182 -5.964 1.00 96.00 C +ATOM 141 O GLY A 22 21.467 -17.289 -6.040 1.00 95.59 O +ATOM 142 N PRO A 23 23.100 -15.877 -6.646 1.00 94.64 N +ATOM 143 CA PRO A 23 23.713 -16.852 -7.551 1.00 95.15 C +ATOM 144 C PRO A 23 24.335 -17.994 -6.774 1.00 94.94 C +ATOM 145 O PRO A 23 24.704 -17.844 -5.612 1.00 92.70 O +ATOM 146 CB PRO A 23 24.755 -16.030 -8.303 1.00 92.74 C +ATOM 147 CG PRO A 23 25.115 -14.957 -7.335 1.00 89.82 C +ATOM 148 CD PRO A 23 23.822 -14.612 -6.652 1.00 93.04 C +HETATM 149 N HYP A 24 24.536 -19.127 -7.387 1.00 95.35 N +HETATM 150 CA HYP A 24 25.161 -20.269 -6.713 1.00 93.04 C +HETATM 151 C HYP A 24 26.547 -19.916 -6.267 1.00 92.88 C +HETATM 152 O HYP A 24 27.319 -19.358 -7.069 1.00 92.36 O +HETATM 153 CB HYP A 24 25.184 -21.396 -7.774 1.00 93.43 C +HETATM 154 CG HYP A 24 24.141 -21.007 -8.793 1.00 91.57 C +HETATM 155 CD HYP A 24 24.102 -19.485 -8.739 1.00 94.12 C +HETATM 156 OD1 HYP A 24 22.873 -21.494 -8.382 1.00 90.97 O +HETATM 157 OXT HYP A 24 26.790 -20.169 -5.070 1.00 89.65 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_137.txt b/protein_pdb_137.txt new file mode 100644 index 0000000000000000000000000000000000000000..94c6a42c1bcb854d3c2f832d358e94cdae4d8573 --- /dev/null +++ b/protein_pdb_137.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 9.911 -3.826 -10.180 1.00 80.10 N +ATOM 2 CA GLY A 1 9.687 -2.397 -10.038 1.00 82.32 C +ATOM 3 C GLY A 1 9.608 -2.000 -8.590 1.00 83.64 C +ATOM 4 O GLY A 1 9.704 -2.851 -7.707 1.00 80.02 O +ATOM 5 N PRO A 2 9.418 -0.722 -8.328 1.00 80.22 N +ATOM 6 CA PRO A 2 9.346 -0.252 -6.953 1.00 82.38 C +ATOM 7 C PRO A 2 8.062 -0.673 -6.265 1.00 82.60 C +ATOM 8 O PRO A 2 7.094 -1.062 -6.911 1.00 80.00 O +ATOM 9 CB PRO A 2 9.420 1.271 -7.103 1.00 78.59 C +ATOM 10 CG PRO A 2 8.816 1.515 -8.436 1.00 74.62 C +ATOM 11 CD PRO A 2 9.278 0.367 -9.291 1.00 74.48 C +HETATM 12 N HYP A 3 8.102 -0.628 -4.976 1.00 83.47 N +HETATM 13 CA HYP A 3 6.875 -0.896 -4.203 1.00 82.76 C +HETATM 14 C HYP A 3 5.784 0.063 -4.572 1.00 84.48 C +HETATM 15 O HYP A 3 6.059 1.221 -4.964 1.00 86.98 O +HETATM 16 CB HYP A 3 7.349 -0.651 -2.740 1.00 82.57 C +HETATM 17 CG HYP A 3 8.809 -0.997 -2.773 1.00 78.50 C +HETATM 18 CD HYP A 3 9.252 -0.417 -4.137 1.00 83.52 C +HETATM 19 OD1 HYP A 3 8.944 -2.389 -2.794 1.00 79.46 O +ATOM 20 N GLY A 4 4.570 -0.444 -4.506 1.00 86.52 N +ATOM 21 CA GLY A 4 3.434 0.386 -4.797 1.00 86.17 C +ATOM 22 C GLY A 4 3.254 1.452 -3.729 1.00 86.44 C +ATOM 23 O GLY A 4 3.902 1.416 -2.682 1.00 86.49 O +ATOM 24 N PRO A 5 2.374 2.408 -3.984 1.00 84.94 N +ATOM 25 CA PRO A 5 2.137 3.469 -3.022 1.00 84.89 C +ATOM 26 C PRO A 5 1.364 2.971 -1.819 1.00 84.80 C +ATOM 27 O PRO A 5 0.742 1.915 -1.853 1.00 83.60 O +ATOM 28 CB PRO A 5 1.340 4.489 -3.821 1.00 82.99 C +ATOM 29 CG PRO A 5 0.603 3.657 -4.805 1.00 80.47 C +ATOM 30 CD PRO A 5 1.561 2.565 -5.187 1.00 80.89 C +HETATM 31 N HYP A 6 1.435 3.763 -0.741 1.00 86.88 N +HETATM 32 CA HYP A 6 0.644 3.425 0.419 1.00 92.96 C +HETATM 33 C HYP A 6 -0.828 3.443 0.122 1.00 87.75 C +HETATM 34 O HYP A 6 -1.287 4.221 -0.742 1.00 87.87 O +HETATM 35 CB HYP A 6 0.983 4.613 1.388 1.00 84.46 C +HETATM 36 CG HYP A 6 2.345 5.043 0.962 1.00 82.07 C +HETATM 37 CD HYP A 6 2.268 4.910 -0.542 1.00 85.56 C +HETATM 38 OD1 HYP A 6 3.300 4.133 1.473 1.00 83.40 O +ATOM 39 N GLY A 7 -1.523 2.547 0.751 1.00 87.72 N +ATOM 40 CA GLY A 7 -2.944 2.486 0.560 1.00 86.66 C +ATOM 41 C GLY A 7 -3.609 3.719 1.138 1.00 87.33 C +ATOM 42 O GLY A 7 -2.979 4.525 1.820 1.00 86.48 O +ATOM 43 N PRO A 8 -4.887 3.884 0.860 1.00 88.24 N +ATOM 44 CA PRO A 8 -5.610 5.033 1.382 1.00 88.67 C +ATOM 45 C PRO A 8 -5.876 4.894 2.869 1.00 88.73 C +ATOM 46 O PRO A 8 -5.801 3.808 3.426 1.00 86.98 O +ATOM 47 CB PRO A 8 -6.900 5.026 0.579 1.00 86.06 C +ATOM 48 CG PRO A 8 -7.119 3.582 0.302 1.00 84.50 C +ATOM 49 CD PRO A 8 -5.743 3.027 0.047 1.00 85.97 C +HETATM 50 N HYP A 9 -6.169 6.039 3.509 1.00 83.57 N +HETATM 51 CA HYP A 9 -6.561 5.989 4.881 1.00 88.59 C +HETATM 52 C HYP A 9 -7.821 5.213 5.063 1.00 85.75 C +HETATM 53 O HYP A 9 -8.691 5.217 4.192 1.00 85.31 O +HETATM 54 CB HYP A 9 -6.796 7.493 5.207 1.00 79.17 C +HETATM 55 CG HYP A 9 -5.937 8.236 4.250 1.00 75.35 C +HETATM 56 CD HYP A 9 -6.011 7.426 3.005 1.00 82.42 C +HETATM 57 OD1 HYP A 9 -4.604 8.227 4.719 1.00 76.70 O +ATOM 58 N GLY A 10 -7.967 4.508 6.145 1.00 86.17 N +ATOM 59 CA GLY A 10 -9.201 3.817 6.429 1.00 82.50 C +ATOM 60 C GLY A 10 -10.276 4.838 6.745 1.00 82.70 C +ATOM 61 O GLY A 10 -10.032 6.047 6.719 1.00 81.00 O +ATOM 62 N ALA A 11 -11.477 4.363 7.059 1.00 81.32 N +ATOM 63 CA ALA A 11 -12.543 5.275 7.449 1.00 84.74 C +ATOM 64 C ALA A 11 -12.018 6.201 8.531 1.00 85.59 C +ATOM 65 O ALA A 11 -12.280 7.402 8.531 1.00 83.17 O +ATOM 66 CB ALA A 11 -13.744 4.488 7.948 1.00 81.58 C +ATOM 67 N ILE A 12 -11.267 5.622 9.435 1.00 89.08 N +ATOM 68 CA ILE A 12 -10.454 6.320 10.414 1.00 90.45 C +ATOM 69 C ILE A 12 -9.260 5.404 10.611 1.00 89.95 C +ATOM 70 O ILE A 12 -9.410 4.249 11.001 1.00 85.56 O +ATOM 71 CB ILE A 12 -11.173 6.584 11.768 1.00 88.22 C +ATOM 72 CG1 ILE A 12 -11.852 5.326 12.281 1.00 83.23 C +ATOM 73 CG2 ILE A 12 -12.166 7.723 11.633 1.00 80.89 C +ATOM 74 CD1 ILE A 12 -12.403 5.478 13.685 1.00 75.61 C +ATOM 75 N GLY A 13 -8.083 5.893 10.300 1.00 90.13 N +ATOM 76 CA GLY A 13 -6.918 5.051 10.451 1.00 88.66 C +ATOM 77 C GLY A 13 -5.806 5.447 9.518 1.00 89.23 C +ATOM 78 O GLY A 13 -5.986 6.288 8.637 1.00 89.17 O +ATOM 79 N PRO A 14 -4.645 4.851 9.709 1.00 88.52 N +ATOM 80 CA PRO A 14 -3.481 5.174 8.903 1.00 88.15 C +ATOM 81 C PRO A 14 -3.589 4.626 7.492 1.00 88.54 C +ATOM 82 O PRO A 14 -4.431 3.788 7.195 1.00 86.60 O +ATOM 83 CB PRO A 14 -2.339 4.511 9.661 1.00 86.41 C +ATOM 84 CG PRO A 14 -2.987 3.329 10.289 1.00 85.14 C +ATOM 85 CD PRO A 14 -4.343 3.819 10.697 1.00 84.36 C +HETATM 86 N HYP A 15 -2.708 5.144 6.666 1.00 88.37 N +HETATM 87 CA HYP A 15 -2.622 4.597 5.321 1.00 89.38 C +HETATM 88 C HYP A 15 -2.243 3.158 5.320 1.00 90.87 C +HETATM 89 O HYP A 15 -1.592 2.690 6.274 1.00 88.83 O +HETATM 90 CB HYP A 15 -1.463 5.450 4.727 1.00 84.46 C +HETATM 91 CG HYP A 15 -1.494 6.738 5.518 1.00 82.10 C +HETATM 92 CD HYP A 15 -1.851 6.267 6.902 1.00 87.00 C +HETATM 93 OD1 HYP A 15 -2.503 7.575 5.022 1.00 84.78 O +ATOM 94 N GLY A 16 -2.690 2.461 4.322 1.00 91.41 N +ATOM 95 CA GLY A 16 -2.339 1.080 4.196 1.00 90.66 C +ATOM 96 C GLY A 16 -0.864 0.929 3.887 1.00 91.52 C +ATOM 97 O GLY A 16 -0.168 1.912 3.618 1.00 91.04 O +ATOM 98 N PRO A 17 -0.372 -0.307 3.925 1.00 88.50 N +ATOM 99 CA PRO A 17 1.037 -0.543 3.642 1.00 88.08 C +ATOM 100 C PRO A 17 1.342 -0.359 2.171 1.00 89.13 C +ATOM 101 O PRO A 17 0.448 -0.381 1.329 1.00 87.41 O +ATOM 102 CB PRO A 17 1.249 -1.988 4.093 1.00 86.61 C +ATOM 103 CG PRO A 17 -0.086 -2.603 3.888 1.00 86.21 C +ATOM 104 CD PRO A 17 -1.080 -1.540 4.252 1.00 86.65 C +HETATM 105 N HYP A 18 2.622 -0.178 1.867 1.00 83.46 N +HETATM 106 CA HYP A 18 3.026 -0.120 0.503 1.00 86.89 C +HETATM 107 C HYP A 18 2.693 -1.372 -0.248 1.00 84.56 C +HETATM 108 O HYP A 18 2.680 -2.473 0.345 1.00 84.67 O +HETATM 109 CB HYP A 18 4.557 0.037 0.597 1.00 82.33 C +HETATM 110 CG HYP A 18 4.763 0.725 1.916 1.00 81.27 C +HETATM 111 CD HYP A 18 3.699 0.064 2.781 1.00 84.75 C +HETATM 112 OD1 HYP A 18 4.470 2.108 1.779 1.00 81.44 O +ATOM 113 N GLY A 19 2.378 -1.229 -1.493 1.00 84.01 N +ATOM 114 CA GLY A 19 2.094 -2.363 -2.324 1.00 84.27 C +ATOM 115 C GLY A 19 3.350 -3.174 -2.579 1.00 85.03 C +ATOM 116 O GLY A 19 4.454 -2.750 -2.247 1.00 84.71 O +ATOM 117 N PRO A 20 3.184 -4.340 -3.166 1.00 75.41 N +ATOM 118 CA PRO A 20 4.332 -5.181 -3.454 1.00 75.88 C +ATOM 119 C PRO A 20 5.150 -4.616 -4.604 1.00 76.33 C +ATOM 120 O PRO A 20 4.698 -3.747 -5.340 1.00 77.97 O +ATOM 121 CB PRO A 20 3.695 -6.515 -3.821 1.00 73.94 C +ATOM 122 CG PRO A 20 2.384 -6.126 -4.398 1.00 71.35 C +ATOM 123 CD PRO A 20 1.928 -4.945 -3.582 1.00 70.76 C +HETATM 124 N HYP A 21 6.384 -5.101 -4.715 1.00 81.38 N +HETATM 125 CA HYP A 21 7.180 -4.722 -5.838 1.00 83.95 C +HETATM 126 C HYP A 21 6.541 -4.995 -7.170 1.00 81.29 C +HETATM 127 O HYP A 21 5.810 -5.980 -7.293 1.00 85.10 O +HETATM 128 CB HYP A 21 8.463 -5.544 -5.688 1.00 80.89 C +HETATM 129 CG HYP A 21 8.568 -5.777 -4.205 1.00 74.37 C +HETATM 130 CD HYP A 21 7.127 -5.965 -3.791 1.00 80.21 C +HETATM 131 OD1 HYP A 21 9.060 -4.595 -3.568 1.00 76.39 O +ATOM 132 N GLY A 22 6.699 -4.079 -8.092 1.00 78.74 N +ATOM 133 CA GLY A 22 6.140 -4.249 -9.403 1.00 76.56 C +ATOM 134 C GLY A 22 6.862 -5.351 -10.156 1.00 76.04 C +ATOM 135 O GLY A 22 7.802 -5.953 -9.645 1.00 75.91 O +ATOM 136 N PRO A 23 6.441 -5.612 -11.383 1.00 81.94 N +ATOM 137 CA PRO A 23 7.086 -6.655 -12.170 1.00 82.26 C +ATOM 138 C PRO A 23 8.516 -6.279 -12.503 1.00 81.24 C +ATOM 139 O PRO A 23 8.895 -5.119 -12.471 1.00 77.79 O +ATOM 140 CB PRO A 23 6.215 -6.754 -13.413 1.00 77.72 C +ATOM 141 CG PRO A 23 5.615 -5.406 -13.531 1.00 73.46 C +ATOM 142 CD PRO A 23 5.378 -4.955 -12.113 1.00 73.84 C +HETATM 143 N HYP A 24 9.311 -7.172 -12.816 1.00 85.76 N +HETATM 144 CA HYP A 24 10.717 -6.876 -13.092 1.00 78.93 C +HETATM 145 C HYP A 24 11.024 -5.508 -13.431 1.00 79.46 C +HETATM 146 O HYP A 24 11.538 -5.204 -14.508 1.00 75.12 O +HETATM 147 CB HYP A 24 11.189 -8.000 -13.924 1.00 77.42 C +HETATM 148 CG HYP A 24 10.207 -9.126 -13.722 1.00 76.95 C +HETATM 149 CD HYP A 24 8.915 -8.453 -13.336 1.00 82.77 C +HETATM 150 OD1 HYP A 24 10.593 -9.935 -12.616 1.00 79.38 O +HETATM 151 OXT HYP A 24 10.776 -4.662 -12.542 1.00 76.97 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_138.txt b/protein_pdb_138.txt new file mode 100644 index 0000000000000000000000000000000000000000..3579acdd1d05ed8c75bf906e36f4d5bac2eab725 --- /dev/null +++ b/protein_pdb_138.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 12.008 -11.059 -3.094 1.00 85.51 N +ATOM 2 CA GLY A 1 11.367 -10.541 -4.289 1.00 87.64 C +ATOM 3 C GLY A 1 11.046 -9.071 -4.152 1.00 89.13 C +ATOM 4 O GLY A 1 11.275 -8.477 -3.102 1.00 86.38 O +ATOM 5 N PRO A 2 10.472 -8.457 -5.197 1.00 88.21 N +ATOM 6 CA PRO A 2 10.155 -7.039 -5.171 1.00 89.59 C +ATOM 7 C PRO A 2 8.956 -6.734 -4.293 1.00 89.33 C +ATOM 8 O PRO A 2 8.186 -7.620 -3.937 1.00 86.75 O +ATOM 9 CB PRO A 2 9.861 -6.723 -6.636 1.00 86.06 C +ATOM 10 CG PRO A 2 9.349 -8.001 -7.184 1.00 82.53 C +ATOM 11 CD PRO A 2 10.109 -9.083 -6.470 1.00 84.71 C +HETATM 12 N HYP A 3 8.846 -5.493 -3.979 1.00 88.07 N +HETATM 13 CA HYP A 3 7.661 -5.038 -3.240 1.00 87.35 C +HETATM 14 C HYP A 3 6.390 -5.352 -3.990 1.00 88.25 C +HETATM 15 O HYP A 3 6.388 -5.384 -5.244 1.00 92.64 O +HETATM 16 CB HYP A 3 7.897 -3.505 -3.164 1.00 88.92 C +HETATM 17 CG HYP A 3 9.411 -3.350 -3.229 1.00 84.06 C +HETATM 18 CD HYP A 3 9.808 -4.456 -4.237 1.00 87.59 C +HETATM 19 OD1 HYP A 3 9.953 -3.661 -1.978 1.00 87.98 O +ATOM 20 N GLY A 4 5.358 -5.636 -3.246 1.00 92.70 N +ATOM 21 CA GLY A 4 4.077 -5.890 -3.847 1.00 92.65 C +ATOM 22 C GLY A 4 3.490 -4.631 -4.463 1.00 93.84 C +ATOM 23 O GLY A 4 4.026 -3.536 -4.315 1.00 93.56 O +ATOM 24 N PRO A 5 2.390 -4.792 -5.170 1.00 93.20 N +ATOM 25 CA PRO A 5 1.755 -3.649 -5.800 1.00 93.68 C +ATOM 26 C PRO A 5 1.121 -2.725 -4.779 1.00 93.31 C +ATOM 27 O PRO A 5 0.857 -3.111 -3.648 1.00 91.67 O +ATOM 28 CB PRO A 5 0.697 -4.288 -6.696 1.00 91.83 C +ATOM 29 CG PRO A 5 0.361 -5.560 -5.994 1.00 89.95 C +ATOM 30 CD PRO A 5 1.642 -6.027 -5.381 1.00 92.34 C +HETATM 31 N HYP A 6 0.901 -1.490 -5.200 1.00 92.69 N +HETATM 32 CA HYP A 6 0.183 -0.558 -4.370 1.00 93.05 C +HETATM 33 C HYP A 6 -1.169 -1.074 -4.014 1.00 92.96 C +HETATM 34 O HYP A 6 -1.800 -1.833 -4.784 1.00 93.31 O +HETATM 35 CB HYP A 6 0.067 0.668 -5.303 1.00 89.52 C +HETATM 36 CG HYP A 6 1.261 0.550 -6.212 1.00 88.77 C +HETATM 37 CD HYP A 6 1.351 -0.949 -6.451 1.00 91.83 C +HETATM 38 OD1 HYP A 6 2.409 0.991 -5.526 1.00 89.61 O +ATOM 39 N GLY A 7 -1.613 -0.734 -2.839 1.00 93.61 N +ATOM 40 CA GLY A 7 -2.937 -1.107 -2.409 1.00 93.26 C +ATOM 41 C GLY A 7 -3.996 -0.424 -3.238 1.00 94.02 C +ATOM 42 O GLY A 7 -3.714 0.449 -4.055 1.00 93.77 O +ATOM 43 N PRO A 8 -5.233 -0.831 -3.032 1.00 93.22 N +ATOM 44 CA PRO A 8 -6.320 -0.237 -3.796 1.00 93.46 C +ATOM 45 C PRO A 8 -6.580 1.192 -3.366 1.00 93.41 C +ATOM 46 O PRO A 8 -6.256 1.606 -2.257 1.00 91.38 O +ATOM 47 CB PRO A 8 -7.511 -1.145 -3.474 1.00 91.29 C +ATOM 48 CG PRO A 8 -7.192 -1.709 -2.141 1.00 89.90 C +ATOM 49 CD PRO A 8 -5.696 -1.849 -2.095 1.00 92.12 C +HETATM 50 N HYP A 9 -7.202 1.942 -4.271 1.00 88.37 N +HETATM 51 CA HYP A 9 -7.569 3.273 -3.973 1.00 88.39 C +HETATM 52 C HYP A 9 -8.624 3.310 -2.895 1.00 90.75 C +HETATM 53 O HYP A 9 -9.430 2.376 -2.767 1.00 90.53 O +HETATM 54 CB HYP A 9 -8.223 3.771 -5.301 1.00 86.72 C +HETATM 55 CG HYP A 9 -7.690 2.874 -6.356 1.00 85.82 C +HETATM 56 CD HYP A 9 -7.471 1.569 -5.681 1.00 89.28 C +HETATM 57 OD1 HYP A 9 -6.420 3.392 -6.753 1.00 86.45 O +ATOM 58 N GLY A 10 -8.614 4.270 -2.043 1.00 92.66 N +ATOM 59 CA GLY A 10 -9.718 4.499 -1.141 1.00 90.97 C +ATOM 60 C GLY A 10 -10.922 4.945 -1.937 1.00 91.53 C +ATOM 61 O GLY A 10 -10.876 5.067 -3.163 1.00 89.81 O +ATOM 62 N GLU A 11 -12.016 5.210 -1.241 1.00 86.79 N +ATOM 63 CA GLU A 11 -13.209 5.588 -1.993 1.00 90.31 C +ATOM 64 C GLU A 11 -12.973 6.826 -2.850 1.00 89.85 C +ATOM 65 O GLU A 11 -13.543 6.937 -3.935 1.00 86.27 O +ATOM 66 CB GLU A 11 -14.422 5.740 -1.065 1.00 87.57 C +ATOM 67 CG GLU A 11 -14.261 6.703 0.075 1.00 80.18 C +ATOM 68 CD GLU A 11 -15.480 6.678 0.996 1.00 73.41 C +ATOM 69 OE1 GLU A 11 -16.615 6.717 0.486 1.00 68.89 O +ATOM 70 OE2 GLU A 11 -15.288 6.608 2.219 1.00 70.79 O +ATOM 71 N THR A 12 -12.117 7.719 -2.388 1.00 92.88 N +ATOM 72 CA THR A 12 -11.648 8.843 -3.205 1.00 93.01 C +ATOM 73 C THR A 12 -10.148 9.031 -3.046 1.00 92.83 C +ATOM 74 O THR A 12 -9.580 9.985 -3.584 1.00 89.39 O +ATOM 75 CB THR A 12 -12.356 10.165 -2.826 1.00 90.52 C +ATOM 76 OG1 THR A 12 -12.097 10.457 -1.458 1.00 86.78 O +ATOM 77 CG2 THR A 12 -13.866 10.081 -3.034 1.00 84.41 C +ATOM 78 N GLY A 13 -9.503 8.154 -2.319 1.00 94.06 N +ATOM 79 CA GLY A 13 -8.128 8.348 -1.907 1.00 93.31 C +ATOM 80 C GLY A 13 -7.110 7.684 -2.798 1.00 93.94 C +ATOM 81 O GLY A 13 -7.451 6.969 -3.744 1.00 93.33 O +ATOM 82 N PRO A 14 -5.857 7.925 -2.495 1.00 92.03 N +ATOM 83 CA PRO A 14 -4.768 7.365 -3.277 1.00 92.07 C +ATOM 84 C PRO A 14 -4.590 5.878 -3.012 1.00 92.11 C +ATOM 85 O PRO A 14 -5.113 5.340 -2.042 1.00 90.33 O +ATOM 86 CB PRO A 14 -3.551 8.154 -2.797 1.00 89.94 C +ATOM 87 CG PRO A 14 -3.874 8.464 -1.376 1.00 88.96 C +ATOM 88 CD PRO A 14 -5.361 8.721 -1.362 1.00 90.49 C +HETATM 89 N HYP A 15 -3.828 5.293 -3.880 1.00 93.17 N +HETATM 90 CA HYP A 15 -3.456 3.914 -3.667 1.00 93.26 C +HETATM 91 C HYP A 15 -2.684 3.757 -2.403 1.00 93.68 C +HETATM 92 O HYP A 15 -2.000 4.695 -1.931 1.00 93.39 O +HETATM 93 CB HYP A 15 -2.521 3.674 -4.892 1.00 89.84 C +HETATM 94 CG HYP A 15 -2.969 4.663 -5.942 1.00 86.83 C +HETATM 95 CD HYP A 15 -3.339 5.866 -5.134 1.00 91.20 C +HETATM 96 OD1 HYP A 15 -4.106 4.171 -6.603 1.00 88.72 O +ATOM 97 N GLY A 16 -2.823 2.614 -1.804 1.00 94.03 N +ATOM 98 CA GLY A 16 -2.034 2.310 -0.638 1.00 94.05 C +ATOM 99 C GLY A 16 -0.578 2.116 -1.004 1.00 94.94 C +ATOM 100 O GLY A 16 -0.204 2.130 -2.180 1.00 94.63 O +ATOM 101 N PRO A 17 0.251 1.949 0.013 1.00 93.31 N +ATOM 102 CA PRO A 17 1.671 1.754 -0.238 1.00 93.65 C +ATOM 103 C PRO A 17 1.946 0.395 -0.862 1.00 94.03 C +ATOM 104 O PRO A 17 1.114 -0.504 -0.812 1.00 92.38 O +ATOM 105 CB PRO A 17 2.292 1.869 1.158 1.00 92.05 C +ATOM 106 CG PRO A 17 1.204 1.433 2.067 1.00 90.78 C +ATOM 107 CD PRO A 17 -0.073 1.902 1.439 1.00 92.59 C +HETATM 108 N HYP A 18 3.129 0.275 -1.452 1.00 92.39 N +HETATM 109 CA HYP A 18 3.538 -0.993 -1.944 1.00 92.56 C +HETATM 110 C HYP A 18 3.549 -2.034 -0.877 1.00 93.17 C +HETATM 111 O HYP A 18 3.806 -1.727 0.305 1.00 93.21 O +HETATM 112 CB HYP A 18 4.980 -0.697 -2.422 1.00 89.34 C +HETATM 113 CG HYP A 18 4.968 0.783 -2.776 1.00 87.70 C +HETATM 114 CD HYP A 18 4.062 1.353 -1.705 1.00 91.61 C +HETATM 115 OD1 HYP A 18 4.361 0.941 -4.045 1.00 89.50 O +ATOM 116 N GLY A 19 3.252 -3.239 -1.245 1.00 91.54 N +ATOM 117 CA GLY A 19 3.305 -4.337 -0.319 1.00 91.47 C +ATOM 118 C GLY A 19 4.727 -4.627 0.109 1.00 92.14 C +ATOM 119 O GLY A 19 5.685 -4.053 -0.407 1.00 92.40 O +ATOM 120 N PRO A 20 4.865 -5.534 1.058 1.00 87.60 N +ATOM 121 CA PRO A 20 6.192 -5.881 1.538 1.00 88.17 C +ATOM 122 C PRO A 20 6.970 -6.654 0.491 1.00 87.74 C +ATOM 123 O PRO A 20 6.404 -7.209 -0.441 1.00 87.09 O +ATOM 124 CB PRO A 20 5.896 -6.750 2.758 1.00 85.12 C +ATOM 125 CG PRO A 20 4.569 -7.340 2.469 1.00 81.73 C +ATOM 126 CD PRO A 20 3.808 -6.295 1.704 1.00 85.41 C +HETATM 127 N HYP A 21 8.271 -6.665 0.668 1.00 90.36 N +HETATM 128 CA HYP A 21 9.098 -7.437 -0.203 1.00 89.39 C +HETATM 129 C HYP A 21 8.727 -8.897 -0.213 1.00 89.85 C +HETATM 130 O HYP A 21 8.285 -9.412 0.815 1.00 93.00 O +HETATM 131 CB HYP A 21 10.500 -7.242 0.344 1.00 87.78 C +HETATM 132 CG HYP A 21 10.439 -5.916 1.079 1.00 83.61 C +HETATM 133 CD HYP A 21 9.042 -5.898 1.661 1.00 90.07 C +HETATM 134 OD1 HYP A 21 10.531 -4.852 0.126 1.00 87.04 O +ATOM 135 N GLY A 22 8.775 -9.493 -1.366 1.00 89.14 N +ATOM 136 CA GLY A 22 8.512 -10.902 -1.471 1.00 87.35 C +ATOM 137 C GLY A 22 9.629 -11.707 -0.826 1.00 87.44 C +ATOM 138 O GLY A 22 10.616 -11.156 -0.339 1.00 86.73 O +ATOM 139 N PRO A 23 9.492 -13.022 -0.827 1.00 91.00 N +ATOM 140 CA PRO A 23 10.531 -13.878 -0.268 1.00 90.75 C +ATOM 141 C PRO A 23 11.845 -13.662 -0.992 1.00 89.20 C +ATOM 142 O PRO A 23 11.857 -13.478 -2.207 1.00 84.83 O +ATOM 143 CB PRO A 23 10.011 -15.288 -0.505 1.00 86.82 C +ATOM 144 CG PRO A 23 8.549 -15.107 -0.712 1.00 84.32 C +ATOM 145 CD PRO A 23 8.383 -13.777 -1.362 1.00 87.72 C +HETATM 146 N HYP A 24 12.900 -13.639 -0.379 1.00 91.37 N +HETATM 147 CA HYP A 24 14.131 -13.270 -1.038 1.00 84.63 C +HETATM 148 C HYP A 24 14.013 -12.591 -2.281 1.00 90.15 C +HETATM 149 O HYP A 24 14.520 -11.463 -2.429 1.00 84.70 O +HETATM 150 CB HYP A 24 15.210 -13.632 -0.214 1.00 85.80 C +HETATM 151 CG HYP A 24 14.604 -14.513 0.925 1.00 84.13 C +HETATM 152 CD HYP A 24 13.078 -14.428 0.767 1.00 89.54 C +HETATM 153 OD1 HYP A 24 14.905 -13.889 2.167 1.00 85.34 O +HETATM 154 OXT HYP A 24 13.668 -13.299 -3.268 1.00 83.13 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_139.txt b/protein_pdb_139.txt new file mode 100644 index 0000000000000000000000000000000000000000..8f4f7ed4b2bdce83ed4d244cd0c2d2879eabf83e --- /dev/null +++ b/protein_pdb_139.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 14.445 -1.431 4.159 1.00 88.60 N +ATOM 2 CA GLY A 1 14.067 -0.703 2.964 1.00 89.53 C +ATOM 3 C GLY A 1 12.878 0.190 3.211 1.00 90.12 C +ATOM 4 O GLY A 1 12.319 0.203 4.303 1.00 87.90 O +ATOM 5 N PRO A 2 12.414 0.945 2.173 1.00 90.12 N +ATOM 6 CA PRO A 2 11.302 1.863 2.334 1.00 91.08 C +ATOM 7 C PRO A 2 9.968 1.142 2.419 1.00 91.34 C +ATOM 8 O PRO A 2 9.851 -0.023 2.063 1.00 89.56 O +ATOM 9 CB PRO A 2 11.381 2.726 1.073 1.00 87.95 C +ATOM 10 CG PRO A 2 11.988 1.823 0.060 1.00 84.30 C +ATOM 11 CD PRO A 2 12.961 0.973 0.815 1.00 85.69 C +HETATM 12 N HYP A 3 8.981 1.870 2.899 1.00 90.66 N +HETATM 13 CA HYP A 3 7.633 1.332 2.926 1.00 89.45 C +HETATM 14 C HYP A 3 7.153 0.963 1.531 1.00 92.48 C +HETATM 15 O HYP A 3 7.548 1.643 0.545 1.00 93.39 O +HETATM 16 CB HYP A 3 6.779 2.561 3.430 1.00 91.02 C +HETATM 17 CG HYP A 3 7.757 3.381 4.237 1.00 87.50 C +HETATM 18 CD HYP A 3 9.075 3.225 3.428 1.00 89.96 C +HETATM 19 OD1 HYP A 3 7.919 2.770 5.489 1.00 89.08 O +ATOM 20 N GLY A 4 6.450 -0.124 1.457 1.00 93.92 N +ATOM 21 CA GLY A 4 5.884 -0.528 0.196 1.00 93.19 C +ATOM 22 C GLY A 4 4.814 0.442 -0.266 1.00 93.51 C +ATOM 23 O GLY A 4 4.356 1.298 0.489 1.00 93.60 O +ATOM 24 N PRO A 5 4.412 0.306 -1.530 1.00 93.72 N +ATOM 25 CA PRO A 5 3.381 1.181 -2.062 1.00 93.28 C +ATOM 26 C PRO A 5 2.023 0.859 -1.474 1.00 93.23 C +ATOM 27 O PRO A 5 1.808 -0.215 -0.924 1.00 92.47 O +ATOM 28 CB PRO A 5 3.422 0.887 -3.560 1.00 91.45 C +ATOM 29 CG PRO A 5 3.875 -0.531 -3.629 1.00 90.08 C +ATOM 30 CD PRO A 5 4.848 -0.690 -2.498 1.00 92.40 C +HETATM 31 N HYP A 6 1.113 1.839 -1.604 1.00 92.78 N +HETATM 32 CA HYP A 6 -0.244 1.576 -1.192 1.00 94.05 C +HETATM 33 C HYP A 6 -0.813 0.408 -1.946 1.00 94.88 C +HETATM 34 O HYP A 6 -0.457 0.181 -3.137 1.00 93.74 O +HETATM 35 CB HYP A 6 -0.961 2.912 -1.599 1.00 90.49 C +HETATM 36 CG HYP A 6 0.130 3.954 -1.539 1.00 90.14 C +HETATM 37 CD HYP A 6 1.334 3.201 -2.090 1.00 91.73 C +HETATM 38 OD1 HYP A 6 0.371 4.298 -0.195 1.00 90.00 O +ATOM 39 N GLY A 7 -1.597 -0.387 -1.267 1.00 93.41 N +ATOM 40 CA GLY A 7 -2.254 -1.498 -1.907 1.00 92.56 C +ATOM 41 C GLY A 7 -3.204 -1.032 -2.984 1.00 93.03 C +ATOM 42 O GLY A 7 -3.534 0.148 -3.084 1.00 93.16 O +ATOM 43 N PRO A 8 -3.644 -1.970 -3.807 1.00 94.51 N +ATOM 44 CA PRO A 8 -4.554 -1.607 -4.883 1.00 94.35 C +ATOM 45 C PRO A 8 -5.932 -1.274 -4.351 1.00 94.71 C +ATOM 46 O PRO A 8 -6.316 -1.688 -3.265 1.00 93.66 O +ATOM 47 CB PRO A 8 -4.586 -2.863 -5.750 1.00 92.03 C +ATOM 48 CG PRO A 8 -4.328 -3.960 -4.788 1.00 90.43 C +ATOM 49 CD PRO A 8 -3.361 -3.390 -3.777 1.00 92.19 C +HETATM 50 N HYP A 9 -6.660 -0.522 -5.159 1.00 91.85 N +HETATM 51 CA HYP A 9 -7.995 -0.208 -4.797 1.00 91.97 C +HETATM 52 C HYP A 9 -8.849 -1.462 -4.789 1.00 93.27 C +HETATM 53 O HYP A 9 -8.642 -2.359 -5.649 1.00 93.27 O +HETATM 54 CB HYP A 9 -8.481 0.699 -5.998 1.00 89.16 C +HETATM 55 CG HYP A 9 -7.218 1.253 -6.597 1.00 88.42 C +HETATM 56 CD HYP A 9 -6.223 0.170 -6.421 1.00 91.78 C +HETATM 57 OD1 HYP A 9 -6.797 2.365 -5.828 1.00 89.01 O +ATOM 58 N GLY A 10 -9.696 -1.657 -3.838 1.00 91.81 N +ATOM 59 CA GLY A 10 -10.700 -2.681 -3.926 1.00 90.07 C +ATOM 60 C GLY A 10 -11.740 -2.280 -4.949 1.00 90.31 C +ATOM 61 O GLY A 10 -11.623 -1.259 -5.630 1.00 89.48 O +ATOM 62 N ILE A 11 -12.761 -3.074 -5.059 1.00 93.35 N +ATOM 63 CA ILE A 11 -13.872 -2.693 -5.921 1.00 93.89 C +ATOM 64 C ILE A 11 -14.622 -1.590 -5.178 1.00 94.03 C +ATOM 65 O ILE A 11 -15.402 -1.860 -4.275 1.00 91.66 O +ATOM 66 CB ILE A 11 -14.760 -3.897 -6.234 1.00 93.81 C +ATOM 67 CG1 ILE A 11 -13.932 -4.980 -6.944 1.00 90.94 C +ATOM 68 CG2 ILE A 11 -15.938 -3.467 -7.098 1.00 87.81 C +ATOM 69 CD1 ILE A 11 -14.668 -6.284 -7.121 1.00 83.21 C +ATOM 70 N ARG A 12 -14.296 -0.376 -5.511 1.00 93.74 N +ATOM 71 CA ARG A 12 -14.703 0.826 -4.796 1.00 94.29 C +ATOM 72 C ARG A 12 -13.986 1.031 -3.471 1.00 94.34 C +ATOM 73 O ARG A 12 -14.216 2.050 -2.815 1.00 92.13 O +ATOM 74 CB ARG A 12 -16.214 0.879 -4.547 1.00 91.73 C +ATOM 75 CG ARG A 12 -17.063 0.917 -5.769 1.00 85.20 C +ATOM 76 CD ARG A 12 -18.538 1.014 -5.416 1.00 81.38 C +ATOM 77 NE ARG A 12 -19.121 -0.279 -5.121 1.00 77.59 N +ATOM 78 CZ ARG A 12 -19.371 -0.762 -3.913 1.00 73.44 C +ATOM 79 NH1 ARG A 12 -19.072 -0.068 -2.829 1.00 71.62 N +ATOM 80 NH2 ARG A 12 -19.930 -1.954 -3.784 1.00 66.76 N +ATOM 81 N GLY A 13 -13.149 0.094 -3.079 1.00 95.21 N +ATOM 82 CA GLY A 13 -12.445 0.224 -1.825 1.00 94.72 C +ATOM 83 C GLY A 13 -11.285 1.186 -1.918 1.00 95.03 C +ATOM 84 O GLY A 13 -10.762 1.442 -3.003 1.00 94.80 O +ATOM 85 N PRO A 14 -10.869 1.721 -0.787 1.00 94.84 N +ATOM 86 CA PRO A 14 -9.719 2.612 -0.783 1.00 94.58 C +ATOM 87 C PRO A 14 -8.428 1.836 -0.998 1.00 94.70 C +ATOM 88 O PRO A 14 -8.382 0.624 -0.830 1.00 93.80 O +ATOM 89 CB PRO A 14 -9.756 3.238 0.604 1.00 93.01 C +ATOM 90 CG PRO A 14 -10.390 2.188 1.448 1.00 91.78 C +ATOM 91 CD PRO A 14 -11.399 1.512 0.559 1.00 92.75 C +HETATM 92 N HYP A 15 -7.399 2.607 -1.349 1.00 93.78 N +HETATM 93 CA HYP A 15 -6.097 1.988 -1.433 1.00 94.17 C +HETATM 94 C HYP A 15 -5.707 1.388 -0.119 1.00 94.58 C +HETATM 95 O HYP A 15 -6.108 1.923 0.948 1.00 94.22 O +HETATM 96 CB HYP A 15 -5.201 3.185 -1.803 1.00 91.46 C +HETATM 97 CG HYP A 15 -6.127 4.162 -2.504 1.00 90.56 C +HETATM 98 CD HYP A 15 -7.409 4.023 -1.736 1.00 92.96 C +HETATM 99 OD1 HYP A 15 -6.324 3.790 -3.844 1.00 91.26 O +ATOM 100 N GLY A 16 -5.002 0.293 -0.177 1.00 95.51 N +ATOM 101 CA GLY A 16 -4.480 -0.288 1.029 1.00 95.07 C +ATOM 102 C GLY A 16 -3.407 0.585 1.642 1.00 95.40 C +ATOM 103 O GLY A 16 -2.924 1.529 1.019 1.00 95.29 O +ATOM 104 N PRO A 17 -3.039 0.273 2.874 1.00 94.41 N +ATOM 105 CA PRO A 17 -1.988 1.038 3.533 1.00 93.98 C +ATOM 106 C PRO A 17 -0.636 0.754 2.905 1.00 94.41 C +ATOM 107 O PRO A 17 -0.451 -0.241 2.209 1.00 93.47 O +ATOM 108 CB PRO A 17 -2.045 0.545 4.971 1.00 92.40 C +ATOM 109 CG PRO A 17 -2.563 -0.845 4.846 1.00 91.00 C +ATOM 110 CD PRO A 17 -3.528 -0.820 3.704 1.00 92.47 C +HETATM 111 N HYP A 18 0.307 1.676 3.166 1.00 92.47 N +HETATM 112 CA HYP A 18 1.635 1.403 2.747 1.00 92.35 C +HETATM 113 C HYP A 18 2.128 0.094 3.280 1.00 93.78 C +HETATM 114 O HYP A 18 1.763 -0.288 4.407 1.00 93.00 O +HETATM 115 CB HYP A 18 2.413 2.584 3.346 1.00 90.72 C +HETATM 116 CG HYP A 18 1.404 3.696 3.447 1.00 89.95 C +HETATM 117 CD HYP A 18 0.147 2.944 3.836 1.00 92.46 C +HETATM 118 OD1 HYP A 18 1.213 4.299 2.170 1.00 90.14 O +ATOM 119 N GLY A 19 2.870 -0.631 2.477 1.00 92.52 N +ATOM 120 CA GLY A 19 3.458 -1.863 2.920 1.00 92.25 C +ATOM 121 C GLY A 19 4.478 -1.623 4.018 1.00 92.52 C +ATOM 122 O GLY A 19 4.898 -0.495 4.264 1.00 92.85 O +ATOM 123 N PRO A 20 4.869 -2.687 4.683 1.00 88.80 N +ATOM 124 CA PRO A 20 5.862 -2.555 5.734 1.00 88.09 C +ATOM 125 C PRO A 20 7.231 -2.236 5.164 1.00 87.92 C +ATOM 126 O PRO A 20 7.488 -2.442 3.985 1.00 88.43 O +ATOM 127 CB PRO A 20 5.841 -3.928 6.401 1.00 85.56 C +ATOM 128 CG PRO A 20 5.445 -4.841 5.311 1.00 82.62 C +ATOM 129 CD PRO A 20 4.467 -4.074 4.472 1.00 84.22 C +HETATM 130 N HYP A 21 8.059 -1.715 6.024 1.00 91.75 N +HETATM 131 CA HYP A 21 9.430 -1.496 5.618 1.00 91.18 C +HETATM 132 C HYP A 21 10.108 -2.743 5.099 1.00 91.79 C +HETATM 133 O HYP A 21 9.789 -3.827 5.589 1.00 93.34 O +HETATM 134 CB HYP A 21 10.090 -0.967 6.890 1.00 90.41 C +HETATM 135 CG HYP A 21 8.974 -0.347 7.688 1.00 87.39 C +HETATM 136 CD HYP A 21 7.811 -1.263 7.400 1.00 91.72 C +HETATM 137 OD1 HYP A 21 8.653 0.937 7.148 1.00 88.92 O +ATOM 138 N GLY A 22 10.874 -2.629 4.075 1.00 91.72 N +ATOM 139 CA GLY A 22 11.625 -3.744 3.569 1.00 89.95 C +ATOM 140 C GLY A 22 12.678 -4.189 4.573 1.00 89.70 C +ATOM 141 O GLY A 22 12.840 -3.591 5.637 1.00 89.18 O +ATOM 142 N PRO A 23 13.417 -5.243 4.246 1.00 91.54 N +ATOM 143 CA PRO A 23 14.464 -5.697 5.147 1.00 90.85 C +ATOM 144 C PRO A 23 15.522 -4.619 5.301 1.00 89.84 C +ATOM 145 O PRO A 23 15.871 -3.937 4.341 1.00 87.04 O +ATOM 146 CB PRO A 23 15.017 -6.945 4.462 1.00 87.68 C +ATOM 147 CG PRO A 23 14.634 -6.801 3.046 1.00 85.19 C +ATOM 148 CD PRO A 23 13.360 -6.015 3.018 1.00 87.72 C +HETATM 149 N HYP A 24 15.984 -4.376 6.416 1.00 92.65 N +HETATM 150 CA HYP A 24 16.843 -3.205 6.627 1.00 87.44 C +HETATM 151 C HYP A 24 16.657 -2.104 5.699 1.00 92.08 C +HETATM 152 O HYP A 24 17.235 -1.016 5.829 1.00 88.30 O +HETATM 153 CB HYP A 24 17.289 -3.264 7.930 1.00 88.64 C +HETATM 154 CG HYP A 24 17.295 -4.781 8.224 1.00 88.79 C +HETATM 155 CD HYP A 24 16.106 -5.335 7.425 1.00 90.80 C +HETATM 156 OD1 HYP A 24 17.264 -5.075 9.551 1.00 87.64 O +HETATM 157 OXT HYP A 24 16.113 -2.260 4.666 1.00 86.87 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_14.txt b/protein_pdb_14.txt new file mode 100644 index 0000000000000000000000000000000000000000..af275d82844ab91156e8367305a41d76ee5721de --- /dev/null +++ b/protein_pdb_14.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 17.438 -29.515 -8.605 1.00 89.74 N +ATOM 2 CA GLY A 1 18.062 -28.196 -8.656 1.00 91.94 C +ATOM 3 C GLY A 1 17.531 -27.302 -7.555 1.00 92.92 C +ATOM 4 O GLY A 1 16.569 -27.654 -6.874 1.00 90.15 O +ATOM 5 N PRO A 2 18.105 -26.122 -7.364 1.00 93.93 N +ATOM 6 CA PRO A 2 17.642 -25.204 -6.328 1.00 95.29 C +ATOM 7 C PRO A 2 16.275 -24.626 -6.664 1.00 95.51 C +ATOM 8 O PRO A 2 15.896 -24.532 -7.825 1.00 94.28 O +ATOM 9 CB PRO A 2 18.723 -24.115 -6.288 1.00 92.98 C +ATOM 10 CG PRO A 2 19.262 -24.121 -7.673 1.00 90.25 C +ATOM 11 CD PRO A 2 19.252 -25.572 -8.089 1.00 91.67 C +HETATM 12 N HYP A 3 15.580 -24.289 -5.691 1.00 95.15 N +HETATM 13 CA HYP A 3 14.255 -23.617 -5.842 1.00 93.95 C +HETATM 14 C HYP A 3 14.341 -22.301 -6.618 1.00 95.89 C +HETATM 15 O HYP A 3 15.361 -21.585 -6.539 1.00 94.34 O +HETATM 16 CB HYP A 3 13.866 -23.375 -4.390 1.00 93.23 C +HETATM 17 CG HYP A 3 14.639 -24.380 -3.577 1.00 91.74 C +HETATM 18 CD HYP A 3 15.971 -24.467 -4.309 1.00 94.55 C +HETATM 19 OD1 HYP A 3 14.040 -25.633 -3.580 1.00 93.15 O +ATOM 20 N GLY A 4 13.282 -21.979 -7.338 1.00 95.10 N +ATOM 21 CA GLY A 4 13.228 -20.738 -8.060 1.00 94.38 C +ATOM 22 C GLY A 4 13.013 -19.576 -7.099 1.00 94.61 C +ATOM 23 O GLY A 4 12.704 -19.779 -5.926 1.00 94.19 O +ATOM 24 N PRO A 5 13.153 -18.341 -7.592 1.00 96.50 N +ATOM 25 CA PRO A 5 12.973 -17.174 -6.731 1.00 96.56 C +ATOM 26 C PRO A 5 11.510 -16.963 -6.372 1.00 96.74 C +ATOM 27 O PRO A 5 10.613 -17.393 -7.095 1.00 96.06 O +ATOM 28 CB PRO A 5 13.527 -16.025 -7.568 1.00 95.08 C +ATOM 29 CG PRO A 5 13.258 -16.471 -8.967 1.00 93.24 C +ATOM 30 CD PRO A 5 13.519 -17.961 -8.944 1.00 94.84 C +HETATM 31 N HYP A 6 11.277 -16.311 -5.267 1.00 95.16 N +HETATM 32 CA HYP A 6 9.897 -15.908 -4.867 1.00 95.46 C +HETATM 33 C HYP A 6 9.234 -15.005 -5.884 1.00 95.39 C +HETATM 34 O HYP A 6 9.938 -14.262 -6.612 1.00 94.01 O +HETATM 35 CB HYP A 6 10.148 -15.155 -3.539 1.00 92.06 C +HETATM 36 CG HYP A 6 11.421 -15.732 -2.981 1.00 90.41 C +HETATM 37 CD HYP A 6 12.239 -15.974 -4.252 1.00 94.37 C +HETATM 38 OD1 HYP A 6 11.176 -16.941 -2.332 1.00 91.34 O +ATOM 39 N GLY A 7 7.917 -15.033 -5.964 1.00 96.60 N +ATOM 40 CA GLY A 7 7.181 -14.179 -6.860 1.00 96.06 C +ATOM 41 C GLY A 7 7.244 -12.727 -6.404 1.00 96.22 C +ATOM 42 O GLY A 7 7.736 -12.425 -5.322 1.00 95.91 O +ATOM 43 N PRO A 8 6.725 -11.819 -7.231 1.00 95.80 N +ATOM 44 CA PRO A 8 6.750 -10.400 -6.882 1.00 95.66 C +ATOM 45 C PRO A 8 5.795 -10.080 -5.743 1.00 95.73 C +ATOM 46 O PRO A 8 4.831 -10.804 -5.502 1.00 95.25 O +ATOM 47 CB PRO A 8 6.336 -9.713 -8.183 1.00 94.30 C +ATOM 48 CG PRO A 8 5.461 -10.734 -8.842 1.00 92.94 C +ATOM 49 CD PRO A 8 6.120 -12.051 -8.526 1.00 94.12 C +HETATM 50 N HYP A 9 6.023 -9.010 -5.053 1.00 95.05 N +HETATM 51 CA HYP A 9 5.134 -8.512 -4.001 1.00 95.19 C +HETATM 52 C HYP A 9 3.766 -8.171 -4.534 1.00 94.95 C +HETATM 53 O HYP A 9 3.639 -7.715 -5.701 1.00 94.36 O +HETATM 54 CB HYP A 9 5.846 -7.198 -3.507 1.00 92.41 C +HETATM 55 CG HYP A 9 7.281 -7.426 -3.835 1.00 91.52 C +HETATM 56 CD HYP A 9 7.199 -8.208 -5.138 1.00 93.79 C +HETATM 57 OD1 HYP A 9 7.885 -8.238 -2.843 1.00 89.90 O +ATOM 58 N GLY A 10 2.750 -8.354 -3.737 1.00 96.50 N +ATOM 59 CA GLY A 10 1.401 -8.036 -4.129 1.00 95.89 C +ATOM 60 C GLY A 10 1.216 -6.530 -4.275 1.00 96.01 C +ATOM 61 O GLY A 10 2.079 -5.742 -3.874 1.00 95.63 O +ATOM 62 N PRO A 11 0.063 -6.103 -4.832 1.00 96.29 N +ATOM 63 CA PRO A 11 -0.183 -4.672 -5.014 1.00 95.78 C +ATOM 64 C PRO A 11 -0.406 -3.960 -3.680 1.00 95.56 C +ATOM 65 O PRO A 11 -0.874 -4.551 -2.707 1.00 94.01 O +ATOM 66 CB PRO A 11 -1.435 -4.633 -5.886 1.00 94.53 C +ATOM 67 CG PRO A 11 -2.139 -5.894 -5.520 1.00 93.54 C +ATOM 68 CD PRO A 11 -1.039 -6.910 -5.332 1.00 94.70 C +ATOM 69 N ARG A 12 -0.064 -2.674 -3.652 1.00 95.19 N +ATOM 70 CA ARG A 12 -0.267 -1.864 -2.459 1.00 94.79 C +ATOM 71 C ARG A 12 -1.765 -1.670 -2.240 1.00 95.37 C +ATOM 72 O ARG A 12 -2.530 -1.606 -3.204 1.00 93.89 O +ATOM 73 CB ARG A 12 0.435 -0.509 -2.616 1.00 91.82 C +ATOM 74 CG ARG A 12 0.339 0.380 -1.383 1.00 84.53 C +ATOM 75 CD ARG A 12 1.062 1.692 -1.582 1.00 82.02 C +ATOM 76 NE ARG A 12 0.972 2.544 -0.393 1.00 77.91 N +ATOM 77 CZ ARG A 12 1.507 3.746 -0.284 1.00 75.38 C +ATOM 78 NH1 ARG A 12 2.175 4.280 -1.290 1.00 72.48 N +ATOM 79 NH2 ARG A 12 1.374 4.429 0.841 1.00 70.31 N +ATOM 80 N GLY A 13 -2.147 -1.592 -0.971 1.00 95.60 N +ATOM 81 CA GLY A 13 -3.540 -1.374 -0.644 1.00 94.84 C +ATOM 82 C GLY A 13 -4.011 0.009 -1.052 1.00 95.34 C +ATOM 83 O GLY A 13 -3.209 0.857 -1.440 1.00 95.16 O +ATOM 84 N PRO A 14 -5.331 0.267 -0.971 1.00 95.32 N +ATOM 85 CA PRO A 14 -5.875 1.566 -1.362 1.00 95.35 C +ATOM 86 C PRO A 14 -5.460 2.665 -0.391 1.00 95.62 C +ATOM 87 O PRO A 14 -5.099 2.400 0.751 1.00 95.06 O +ATOM 88 CB PRO A 14 -7.386 1.341 -1.343 1.00 94.12 C +ATOM 89 CG PRO A 14 -7.563 0.264 -0.330 1.00 92.42 C +ATOM 90 CD PRO A 14 -6.383 -0.648 -0.537 1.00 93.52 C +HETATM 91 N HYP A 15 -5.546 3.919 -0.825 1.00 91.65 N +HETATM 92 CA HYP A 15 -5.274 5.068 0.001 1.00 93.05 C +HETATM 93 C HYP A 15 -6.187 5.173 1.225 1.00 95.07 C +HETATM 94 O HYP A 15 -7.316 4.638 1.191 1.00 88.12 O +HETATM 95 CB HYP A 15 -5.529 6.214 -0.985 1.00 91.23 C +HETATM 96 CG HYP A 15 -5.230 5.608 -2.336 1.00 89.42 C +HETATM 97 CD HYP A 15 -5.781 4.236 -2.181 1.00 90.37 C +HETATM 98 OD1 HYP A 15 -3.847 5.538 -2.586 1.00 92.32 O +ATOM 99 N GLY A 16 -5.708 5.720 2.276 1.00 96.82 N +ATOM 100 CA GLY A 16 -6.506 5.906 3.456 1.00 96.15 C +ATOM 101 C GLY A 16 -7.581 6.951 3.221 1.00 96.34 C +ATOM 102 O GLY A 16 -7.614 7.603 2.180 1.00 96.27 O +ATOM 103 N PRO A 17 -8.487 7.129 4.207 1.00 94.53 N +ATOM 104 CA PRO A 17 -9.571 8.093 4.059 1.00 94.48 C +ATOM 105 C PRO A 17 -9.071 9.532 4.117 1.00 94.43 C +ATOM 106 O PRO A 17 -8.025 9.812 4.690 1.00 93.69 O +ATOM 107 CB PRO A 17 -10.490 7.766 5.233 1.00 92.79 C +ATOM 108 CG PRO A 17 -9.555 7.238 6.259 1.00 91.16 C +ATOM 109 CD PRO A 17 -8.555 6.425 5.483 1.00 92.67 C +HETATM 110 N HYP A 18 -9.803 10.450 3.566 1.00 93.08 N +HETATM 111 CA HYP A 18 -9.520 11.871 3.616 1.00 94.29 C +HETATM 112 C HYP A 18 -9.569 12.419 5.052 1.00 92.89 C +HETATM 113 O HYP A 18 -10.300 11.873 5.918 1.00 94.54 O +HETATM 114 CB HYP A 18 -10.668 12.461 2.819 1.00 92.59 C +HETATM 115 CG HYP A 18 -11.092 11.412 1.880 1.00 91.13 C +HETATM 116 CD HYP A 18 -10.898 10.159 2.689 1.00 90.54 C +HETATM 117 OD1 HYP A 18 -10.263 11.357 0.744 1.00 91.91 O +ATOM 118 N GLY A 19 -8.821 13.440 5.313 1.00 93.43 N +ATOM 119 CA GLY A 19 -8.829 14.067 6.599 1.00 92.89 C +ATOM 120 C GLY A 19 -10.147 14.783 6.835 1.00 93.10 C +ATOM 121 O GLY A 19 -10.995 14.871 5.941 1.00 92.92 O +ATOM 122 N PRO A 20 -10.349 15.337 8.042 1.00 93.62 N +ATOM 123 CA PRO A 20 -11.597 16.024 8.362 1.00 93.39 C +ATOM 124 C PRO A 20 -11.730 17.336 7.599 1.00 93.00 C +ATOM 125 O PRO A 20 -10.737 17.924 7.174 1.00 91.89 O +ATOM 126 CB PRO A 20 -11.492 16.243 9.874 1.00 91.02 C +ATOM 127 CG PRO A 20 -10.030 16.312 10.119 1.00 88.46 C +ATOM 128 CD PRO A 20 -9.437 15.300 9.181 1.00 91.07 C +HETATM 129 N HYP A 21 -12.933 17.849 7.469 1.00 95.15 N +HETATM 130 CA HYP A 21 -13.226 19.088 6.782 1.00 93.89 C +HETATM 131 C HYP A 21 -12.643 20.310 7.484 1.00 95.68 C +HETATM 132 O HYP A 21 -12.496 20.293 8.736 1.00 94.34 O +HETATM 133 CB HYP A 21 -14.768 19.195 6.900 1.00 93.09 C +HETATM 134 CG HYP A 21 -15.248 17.794 7.071 1.00 91.14 C +HETATM 135 CD HYP A 21 -14.142 17.157 7.859 1.00 93.94 C +HETATM 136 OD1 HYP A 21 -15.339 17.164 5.818 1.00 90.77 O +ATOM 137 N GLY A 22 -12.239 21.307 6.769 1.00 90.24 N +ATOM 138 CA GLY A 22 -11.729 22.521 7.335 1.00 89.76 C +ATOM 139 C GLY A 22 -12.861 23.298 7.997 1.00 90.00 C +ATOM 140 O GLY A 22 -14.026 22.906 7.916 1.00 88.74 O +ATOM 141 N PRO A 23 -12.563 24.446 8.626 1.00 92.74 N +ATOM 142 CA PRO A 23 -13.596 25.240 9.292 1.00 92.87 C +ATOM 143 C PRO A 23 -14.526 25.891 8.288 1.00 92.40 C +ATOM 144 O PRO A 23 -14.137 26.161 7.150 1.00 89.08 O +ATOM 145 CB PRO A 23 -12.796 26.266 10.086 1.00 89.52 C +ATOM 146 CG PRO A 23 -11.543 26.417 9.296 1.00 86.89 C +ATOM 147 CD PRO A 23 -11.237 25.029 8.792 1.00 89.52 C +HETATM 148 N HYP A 24 -15.769 26.277 8.689 1.00 92.75 N +HETATM 149 CA HYP A 24 -16.699 26.866 7.711 1.00 88.84 C +HETATM 150 C HYP A 24 -16.236 28.285 7.325 1.00 88.37 C +HETATM 151 O HYP A 24 -16.934 29.240 7.211 1.00 89.44 O +HETATM 152 CB HYP A 24 -18.003 27.059 8.584 1.00 91.02 C +HETATM 153 CG HYP A 24 -17.866 26.157 9.768 1.00 88.17 C +HETATM 154 CD HYP A 24 -16.354 26.081 10.012 1.00 90.97 C +HETATM 155 OD1 HYP A 24 -18.319 24.884 9.419 1.00 85.76 O +HETATM 156 OXT HYP A 24 -15.047 28.375 7.156 1.00 84.87 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_140.txt b/protein_pdb_140.txt new file mode 100644 index 0000000000000000000000000000000000000000..5f91f1685b686b6c0ead67268d2c3af055a72787 --- /dev/null +++ b/protein_pdb_140.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 12.595 1.517 -8.916 1.00 77.84 N +ATOM 2 CA GLY A 1 12.083 2.756 -8.346 1.00 79.41 C +ATOM 3 C GLY A 1 11.642 2.553 -6.919 1.00 81.10 C +ATOM 4 O GLY A 1 11.712 1.437 -6.391 1.00 76.72 O +ATOM 5 N PRO A 2 11.163 3.598 -6.281 1.00 79.74 N +ATOM 6 CA PRO A 2 10.726 3.490 -4.897 1.00 81.55 C +ATOM 7 C PRO A 2 9.444 2.681 -4.770 1.00 81.73 C +ATOM 8 O PRO A 2 8.710 2.501 -5.731 1.00 79.17 O +ATOM 9 CB PRO A 2 10.502 4.944 -4.481 1.00 78.07 C +ATOM 10 CG PRO A 2 10.185 5.640 -5.755 1.00 73.70 C +ATOM 11 CD PRO A 2 10.988 4.952 -6.815 1.00 74.67 C +HETATM 12 N HYP A 3 9.234 2.195 -3.620 1.00 82.85 N +HETATM 13 CA HYP A 3 7.958 1.515 -3.318 1.00 82.38 C +HETATM 14 C HYP A 3 6.787 2.391 -3.596 1.00 83.78 C +HETATM 15 O HYP A 3 6.878 3.638 -3.452 1.00 88.89 O +HETATM 16 CB HYP A 3 8.099 1.185 -1.812 1.00 84.81 C +HETATM 17 CG HYP A 3 9.586 1.048 -1.596 1.00 78.16 C +HETATM 18 CD HYP A 3 10.142 2.171 -2.493 1.00 83.15 C +HETATM 19 OD1 HYP A 3 10.003 -0.196 -2.091 1.00 85.70 O +ATOM 20 N GLY A 4 5.733 1.779 -4.050 1.00 87.71 N +ATOM 21 CA GLY A 4 4.512 2.509 -4.261 1.00 86.57 C +ATOM 22 C GLY A 4 3.933 3.004 -2.949 1.00 86.90 C +ATOM 23 O GLY A 4 4.380 2.629 -1.869 1.00 85.92 O +ATOM 24 N PRO A 5 2.928 3.863 -3.040 1.00 87.44 N +ATOM 25 CA PRO A 5 2.304 4.393 -1.830 1.00 85.89 C +ATOM 26 C PRO A 5 1.506 3.325 -1.103 1.00 85.80 C +ATOM 27 O PRO A 5 1.140 2.304 -1.677 1.00 83.95 O +ATOM 28 CB PRO A 5 1.406 5.508 -2.357 1.00 83.71 C +ATOM 29 CG PRO A 5 1.086 5.092 -3.750 1.00 81.94 C +ATOM 30 CD PRO A 5 2.299 4.372 -4.260 1.00 83.33 C +HETATM 31 N HYP A 6 1.246 3.566 0.154 1.00 88.16 N +HETATM 32 CA HYP A 6 0.388 2.685 0.944 1.00 90.95 C +HETATM 33 C HYP A 6 -0.971 2.567 0.342 1.00 89.85 C +HETATM 34 O HYP A 6 -1.504 3.543 -0.230 1.00 89.84 O +HETATM 35 CB HYP A 6 0.336 3.388 2.313 1.00 88.04 C +HETATM 36 CG HYP A 6 1.622 4.176 2.361 1.00 84.72 C +HETATM 37 CD HYP A 6 1.777 4.655 0.943 1.00 87.69 C +HETATM 38 OD1 HYP A 6 2.694 3.312 2.697 1.00 87.10 O +ATOM 39 N GLY A 7 -1.521 1.375 0.408 1.00 89.53 N +ATOM 40 CA GLY A 7 -2.869 1.171 -0.047 1.00 87.15 C +ATOM 41 C GLY A 7 -3.866 1.930 0.810 1.00 87.84 C +ATOM 42 O GLY A 7 -3.528 2.448 1.873 1.00 87.12 O +ATOM 43 N PRO A 8 -5.093 2.000 0.353 1.00 87.00 N +ATOM 44 CA PRO A 8 -6.117 2.693 1.123 1.00 85.95 C +ATOM 45 C PRO A 8 -6.517 1.898 2.357 1.00 85.62 C +ATOM 46 O PRO A 8 -6.312 0.692 2.433 1.00 82.20 O +ATOM 47 CB PRO A 8 -7.275 2.816 0.142 1.00 82.84 C +ATOM 48 CG PRO A 8 -7.102 1.650 -0.759 1.00 81.82 C +ATOM 49 CD PRO A 8 -5.613 1.442 -0.888 1.00 83.30 C +HETATM 50 N HYP A 9 -7.120 2.576 3.329 1.00 83.39 N +HETATM 51 CA HYP A 9 -7.595 1.932 4.495 1.00 88.15 C +HETATM 52 C HYP A 9 -8.751 0.996 4.194 1.00 83.48 C +HETATM 53 O HYP A 9 -9.517 1.230 3.241 1.00 86.62 O +HETATM 54 CB HYP A 9 -8.162 3.131 5.346 1.00 80.72 C +HETATM 55 CG HYP A 9 -7.394 4.312 4.896 1.00 78.75 C +HETATM 56 CD HYP A 9 -7.203 4.053 3.435 1.00 84.61 C +HETATM 57 OD1 HYP A 9 -6.142 4.322 5.537 1.00 81.71 O +ATOM 58 N GLY A 10 -8.840 -0.088 4.876 1.00 84.50 N +ATOM 59 CA GLY A 10 -10.059 -0.872 4.852 1.00 80.59 C +ATOM 60 C GLY A 10 -11.192 -0.048 5.434 1.00 80.34 C +ATOM 61 O GLY A 10 -11.018 1.112 5.794 1.00 77.00 O +ATOM 62 N LYS A 11 -12.366 -0.665 5.544 1.00 83.27 N +ATOM 63 CA LYS A 11 -13.503 0.134 5.988 1.00 85.22 C +ATOM 64 C LYS A 11 -13.253 0.816 7.334 1.00 83.88 C +ATOM 65 O LYS A 11 -13.697 1.950 7.538 1.00 80.28 O +ATOM 66 CB LYS A 11 -14.790 -0.703 6.006 1.00 80.31 C +ATOM 67 CG LYS A 11 -14.874 -1.762 7.076 1.00 76.16 C +ATOM 68 CD LYS A 11 -16.237 -2.457 7.063 1.00 72.66 C +ATOM 69 CE LYS A 11 -16.315 -3.596 8.070 1.00 68.90 C +ATOM 70 NZ LYS A 11 -16.289 -3.118 9.473 1.00 63.54 N +ATOM 71 N ASP A 12 -12.524 0.166 8.217 1.00 78.12 N +ATOM 72 CA ASP A 12 -12.081 0.755 9.478 1.00 81.58 C +ATOM 73 C ASP A 12 -10.651 0.332 9.801 1.00 81.32 C +ATOM 74 O ASP A 12 -10.271 0.259 10.966 1.00 74.79 O +ATOM 75 CB ASP A 12 -13.017 0.344 10.631 1.00 77.33 C +ATOM 76 CG ASP A 12 -14.412 0.929 10.492 1.00 72.43 C +ATOM 77 OD1 ASP A 12 -15.354 0.149 10.270 1.00 70.86 O +ATOM 78 OD2 ASP A 12 -14.552 2.163 10.621 1.00 67.95 O +ATOM 79 N GLY A 13 -9.869 0.045 8.779 1.00 85.87 N +ATOM 80 CA GLY A 13 -8.589 -0.609 8.976 1.00 82.81 C +ATOM 81 C GLY A 13 -7.398 0.259 8.632 1.00 82.53 C +ATOM 82 O GLY A 13 -7.540 1.391 8.174 1.00 82.22 O +ATOM 83 N PRO A 14 -6.214 -0.272 8.876 1.00 87.40 N +ATOM 84 CA PRO A 14 -4.988 0.448 8.563 1.00 86.16 C +ATOM 85 C PRO A 14 -4.768 0.529 7.068 1.00 86.11 C +ATOM 86 O PRO A 14 -5.389 -0.184 6.289 1.00 81.93 O +ATOM 87 CB PRO A 14 -3.908 -0.402 9.232 1.00 82.71 C +ATOM 88 CG PRO A 14 -4.457 -1.785 9.188 1.00 81.57 C +ATOM 89 CD PRO A 14 -5.945 -1.621 9.379 1.00 82.60 C +HETATM 90 N HYP A 15 -3.874 1.418 6.719 1.00 86.17 N +HETATM 91 CA HYP A 15 -3.456 1.481 5.339 1.00 88.17 C +HETATM 92 C HYP A 15 -2.921 0.184 4.838 1.00 88.08 C +HETATM 93 O HYP A 15 -2.342 -0.575 5.641 1.00 87.66 O +HETATM 94 CB HYP A 15 -2.388 2.600 5.385 1.00 81.45 C +HETATM 95 CG HYP A 15 -2.779 3.443 6.581 1.00 79.70 C +HETATM 96 CD HYP A 15 -3.286 2.430 7.558 1.00 85.08 C +HETATM 97 OD1 HYP A 15 -3.800 4.339 6.228 1.00 85.14 O +ATOM 98 N GLY A 16 -3.124 -0.098 3.596 1.00 88.14 N +ATOM 99 CA GLY A 16 -2.544 -1.269 3.004 1.00 86.67 C +ATOM 100 C GLY A 16 -1.032 -1.160 2.939 1.00 88.31 C +ATOM 101 O GLY A 16 -0.455 -0.105 3.209 1.00 87.64 O +ATOM 102 N PRO A 17 -0.382 -2.272 2.576 1.00 88.23 N +ATOM 103 CA PRO A 17 1.068 -2.264 2.490 1.00 87.15 C +ATOM 104 C PRO A 17 1.551 -1.426 1.318 1.00 88.62 C +ATOM 105 O PRO A 17 0.803 -1.145 0.386 1.00 86.41 O +ATOM 106 CB PRO A 17 1.420 -3.741 2.307 1.00 84.62 C +ATOM 107 CG PRO A 17 0.212 -4.323 1.670 1.00 84.00 C +ATOM 108 CD PRO A 17 -0.961 -3.562 2.220 1.00 84.56 C +HETATM 109 N HYP A 18 2.801 -1.029 1.357 1.00 85.47 N +HETATM 110 CA HYP A 18 3.419 -0.332 0.275 1.00 89.35 C +HETATM 111 C HYP A 18 3.392 -1.126 -0.994 1.00 88.56 C +HETATM 112 O HYP A 18 3.488 -2.374 -0.951 1.00 89.18 O +HETATM 113 CB HYP A 18 4.842 -0.108 0.762 1.00 85.69 C +HETATM 114 CG HYP A 18 4.718 -0.117 2.254 1.00 83.45 C +HETATM 115 CD HYP A 18 3.667 -1.171 2.498 1.00 86.50 C +HETATM 116 OD1 HYP A 18 4.243 1.140 2.721 1.00 85.60 O +ATOM 117 N GLY A 19 3.229 -0.468 -2.104 1.00 88.63 N +ATOM 118 CA GLY A 19 3.291 -1.119 -3.381 1.00 87.68 C +ATOM 119 C GLY A 19 4.697 -1.599 -3.691 1.00 88.00 C +ATOM 120 O GLY A 19 5.656 -1.264 -3.005 1.00 86.98 O +ATOM 121 N PRO A 20 4.814 -2.395 -4.733 1.00 82.83 N +ATOM 122 CA PRO A 20 6.119 -2.897 -5.120 1.00 81.56 C +ATOM 123 C PRO A 20 6.980 -1.794 -5.709 1.00 82.01 C +ATOM 124 O PRO A 20 6.491 -0.736 -6.090 1.00 79.34 O +ATOM 125 CB PRO A 20 5.781 -3.964 -6.161 1.00 77.87 C +ATOM 126 CG PRO A 20 4.494 -3.507 -6.746 1.00 75.82 C +ATOM 127 CD PRO A 20 3.748 -2.833 -5.627 1.00 76.20 C +HETATM 128 N HYP A 21 8.272 -2.040 -5.750 1.00 83.95 N +HETATM 129 CA HYP A 21 9.184 -1.132 -6.396 1.00 86.86 C +HETATM 130 C HYP A 21 8.800 -0.787 -7.818 1.00 86.07 C +HETATM 131 O HYP A 21 8.297 -1.679 -8.516 1.00 88.30 O +HETATM 132 CB HYP A 21 10.520 -1.793 -6.312 1.00 81.31 C +HETATM 133 CG HYP A 21 10.414 -2.672 -5.075 1.00 77.89 C +HETATM 134 CD HYP A 21 8.989 -3.147 -5.116 1.00 84.53 C +HETATM 135 OD1 HYP A 21 10.547 -1.869 -3.899 1.00 84.80 O +ATOM 136 N GLY A 22 8.940 0.449 -8.212 1.00 85.20 N +ATOM 137 CA GLY A 22 8.662 0.858 -9.556 1.00 82.89 C +ATOM 138 C GLY A 22 9.654 0.273 -10.541 1.00 83.02 C +ATOM 139 O GLY A 22 10.621 -0.382 -10.154 1.00 81.72 O +ATOM 140 N PRO A 23 9.433 0.512 -11.832 1.00 84.81 N +ATOM 141 CA PRO A 23 10.339 -0.013 -12.846 1.00 84.69 C +ATOM 142 C PRO A 23 11.697 0.662 -12.762 1.00 83.72 C +ATOM 143 O PRO A 23 11.830 1.759 -12.237 1.00 79.21 O +ATOM 144 CB PRO A 23 9.629 0.296 -14.155 1.00 79.65 C +ATOM 145 CG PRO A 23 8.783 1.478 -13.842 1.00 76.36 C +ATOM 146 CD PRO A 23 8.368 1.317 -12.408 1.00 78.64 C +HETATM 147 N HYP A 24 12.672 0.084 -13.277 1.00 85.76 N +HETATM 148 CA HYP A 24 14.015 0.679 -13.244 1.00 82.93 C +HETATM 149 C HYP A 24 14.022 2.112 -13.505 1.00 81.59 C +HETATM 150 O HYP A 24 13.712 2.486 -14.659 1.00 82.05 O +HETATM 151 CB HYP A 24 14.843 -0.200 -14.122 1.00 83.07 C +HETATM 152 CG HYP A 24 14.103 -1.496 -14.274 1.00 80.62 C +HETATM 153 CD HYP A 24 12.629 -1.123 -14.097 1.00 84.56 C +HETATM 154 OD1 HYP A 24 14.432 -2.366 -13.196 1.00 79.95 O +HETATM 155 OXT HYP A 24 14.289 2.836 -12.514 1.00 78.06 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_141.txt b/protein_pdb_141.txt new file mode 100644 index 0000000000000000000000000000000000000000..05b7dec06a244dd81cbc5d59a49c9b157a579d7f --- /dev/null +++ b/protein_pdb_141.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 14.653 -1.632 -1.546 1.00 90.04 N +ATOM 2 CA GLY A 1 13.634 -1.181 -2.423 1.00 90.81 C +ATOM 3 C GLY A 1 12.716 -0.151 -1.807 1.00 91.30 C +ATOM 4 O GLY A 1 12.713 0.048 -0.595 1.00 89.32 O +ATOM 5 N PRO A 2 11.956 0.488 -2.616 1.00 92.94 N +ATOM 6 CA PRO A 2 11.038 1.507 -2.142 1.00 93.45 C +ATOM 7 C PRO A 2 9.817 0.889 -1.486 1.00 93.33 C +ATOM 8 O PRO A 2 9.586 -0.314 -1.581 1.00 91.31 O +ATOM 9 CB PRO A 2 10.669 2.252 -3.422 1.00 90.67 C +ATOM 10 CG PRO A 2 10.737 1.186 -4.460 1.00 87.46 C +ATOM 11 CD PRO A 2 11.914 0.339 -4.063 1.00 90.86 C +HETATM 12 N HYP A 3 9.061 1.760 -0.813 1.00 93.65 N +HETATM 13 CA HYP A 3 7.837 1.257 -0.232 1.00 93.88 C +HETATM 14 C HYP A 3 6.915 0.704 -1.283 1.00 95.08 C +HETATM 15 O HYP A 3 6.884 1.212 -2.421 1.00 94.58 O +HETATM 16 CB HYP A 3 7.204 2.579 0.379 1.00 91.64 C +HETATM 17 CG HYP A 3 8.382 3.475 0.665 1.00 88.71 C +HETATM 18 CD HYP A 3 9.337 3.154 -0.529 1.00 91.28 C +HETATM 19 OD1 HYP A 3 8.980 3.042 1.853 1.00 90.81 O +ATOM 20 N GLY A 4 6.235 -0.357 -0.914 1.00 94.41 N +ATOM 21 CA GLY A 4 5.273 -0.937 -1.806 1.00 94.27 C +ATOM 22 C GLY A 4 4.093 -0.010 -2.001 1.00 95.20 C +ATOM 23 O GLY A 4 3.932 0.978 -1.285 1.00 95.13 O +ATOM 24 N PRO A 5 3.246 -0.314 -2.977 1.00 94.44 N +ATOM 25 CA PRO A 5 2.088 0.529 -3.239 1.00 94.69 C +ATOM 26 C PRO A 5 1.044 0.390 -2.143 1.00 94.40 C +ATOM 27 O PRO A 5 1.061 -0.556 -1.365 1.00 93.43 O +ATOM 28 CB PRO A 5 1.568 -0.000 -4.573 1.00 93.29 C +ATOM 29 CG PRO A 5 1.972 -1.437 -4.553 1.00 91.75 C +ATOM 30 CD PRO A 5 3.312 -1.452 -3.885 1.00 93.84 C +HETATM 31 N HYP A 6 0.143 1.388 -2.093 1.00 93.86 N +HETATM 32 CA HYP A 6 -0.949 1.285 -1.159 1.00 95.65 C +HETATM 33 C HYP A 6 -1.744 0.035 -1.373 1.00 95.35 C +HETATM 34 O HYP A 6 -1.864 -0.430 -2.529 1.00 95.25 O +HETATM 35 CB HYP A 6 -1.785 2.556 -1.477 1.00 92.04 C +HETATM 36 CG HYP A 6 -0.797 3.524 -2.049 1.00 90.96 C +HETATM 37 CD HYP A 6 0.110 2.624 -2.855 1.00 91.96 C +HETATM 38 OD1 HYP A 6 -0.067 4.117 -0.998 1.00 91.63 O +ATOM 39 N GLY A 7 -2.212 -0.553 -0.322 1.00 95.43 N +ATOM 40 CA GLY A 7 -3.031 -1.720 -0.420 1.00 95.35 C +ATOM 41 C GLY A 7 -4.311 -1.411 -1.164 1.00 95.94 C +ATOM 42 O GLY A 7 -4.674 -0.256 -1.364 1.00 95.69 O +ATOM 43 N PRO A 8 -5.003 -2.445 -1.582 1.00 95.40 N +ATOM 44 CA PRO A 8 -6.243 -2.230 -2.315 1.00 95.35 C +ATOM 45 C PRO A 8 -7.335 -1.686 -1.411 1.00 95.52 C +ATOM 46 O PRO A 8 -7.306 -1.868 -0.201 1.00 94.23 O +ATOM 47 CB PRO A 8 -6.589 -3.619 -2.841 1.00 94.01 C +ATOM 48 CG PRO A 8 -5.985 -4.530 -1.834 1.00 92.69 C +ATOM 49 CD PRO A 8 -4.703 -3.858 -1.418 1.00 94.77 C +HETATM 50 N HYP A 9 -8.285 -1.023 -2.015 1.00 94.39 N +HETATM 51 CA HYP A 9 -9.401 -0.533 -1.289 1.00 93.85 C +HETATM 52 C HYP A 9 -10.190 -1.664 -0.703 1.00 95.18 C +HETATM 53 O HYP A 9 -10.363 -2.685 -1.368 1.00 94.81 O +HETATM 54 CB HYP A 9 -10.237 0.215 -2.356 1.00 91.30 C +HETATM 55 CG HYP A 9 -9.290 0.529 -3.460 1.00 90.36 C +HETATM 56 CD HYP A 9 -8.342 -0.608 -3.434 1.00 93.02 C +HETATM 57 OD1 HYP A 9 -8.559 1.706 -3.146 1.00 91.40 O +ATOM 58 N GLY A 10 -10.640 -1.596 0.509 1.00 94.60 N +ATOM 59 CA GLY A 10 -11.539 -2.558 1.077 1.00 94.09 C +ATOM 60 C GLY A 10 -12.911 -2.390 0.453 1.00 94.94 C +ATOM 61 O GLY A 10 -13.135 -1.471 -0.338 1.00 94.29 O +ATOM 62 N PRO A 11 -13.858 -3.243 0.812 1.00 93.37 N +ATOM 63 CA PRO A 11 -15.195 -3.100 0.241 1.00 93.56 C +ATOM 64 C PRO A 11 -15.773 -1.709 0.420 1.00 94.28 C +ATOM 65 O PRO A 11 -16.419 -1.178 -0.484 1.00 91.52 O +ATOM 66 CB PRO A 11 -16.003 -4.151 0.995 1.00 91.81 C +ATOM 67 CG PRO A 11 -14.986 -5.192 1.342 1.00 90.73 C +ATOM 68 CD PRO A 11 -13.738 -4.413 1.666 1.00 92.51 C +ATOM 69 N HIS A 12 -15.525 -1.128 1.575 1.00 92.58 N +ATOM 70 CA HIS A 12 -16.002 0.220 1.870 1.00 93.83 C +ATOM 71 C HIS A 12 -14.973 1.015 2.655 1.00 93.19 C +ATOM 72 O HIS A 12 -15.283 2.072 3.204 1.00 89.88 O +ATOM 73 CB HIS A 12 -17.306 0.148 2.670 1.00 92.51 C +ATOM 74 CG HIS A 12 -18.379 -0.628 1.972 1.00 90.06 C +ATOM 75 ND1 HIS A 12 -19.067 -0.137 0.894 1.00 86.09 N +ATOM 76 CD2 HIS A 12 -18.847 -1.879 2.186 1.00 83.24 C +ATOM 77 CE1 HIS A 12 -19.919 -1.066 0.469 1.00 84.70 C +ATOM 78 NE2 HIS A 12 -19.805 -2.125 1.239 1.00 85.23 N +ATOM 79 N GLY A 13 -13.769 0.511 2.726 1.00 94.21 N +ATOM 80 CA GLY A 13 -12.742 1.122 3.525 1.00 93.51 C +ATOM 81 C GLY A 13 -11.676 1.804 2.699 1.00 94.23 C +ATOM 82 O GLY A 13 -11.648 1.693 1.475 1.00 93.86 O +ATOM 83 N PRO A 14 -10.780 2.511 3.373 1.00 95.10 N +ATOM 84 CA PRO A 14 -9.707 3.213 2.690 1.00 95.06 C +ATOM 85 C PRO A 14 -8.662 2.243 2.161 1.00 95.01 C +ATOM 86 O PRO A 14 -8.628 1.077 2.549 1.00 93.70 O +ATOM 87 CB PRO A 14 -9.133 4.124 3.768 1.00 93.67 C +ATOM 88 CG PRO A 14 -9.368 3.356 5.022 1.00 91.93 C +ATOM 89 CD PRO A 14 -10.704 2.684 4.823 1.00 93.44 C +HETATM 90 N HYP A 15 -7.837 2.781 1.299 1.00 94.07 N +HETATM 91 CA HYP A 15 -6.726 1.977 0.821 1.00 94.27 C +HETATM 92 C HYP A 15 -5.861 1.560 1.951 1.00 95.48 C +HETATM 93 O HYP A 15 -5.762 2.281 2.975 1.00 94.63 O +HETATM 94 CB HYP A 15 -6.041 3.000 -0.139 1.00 91.68 C +HETATM 95 CG HYP A 15 -7.138 3.965 -0.561 1.00 90.04 C +HETATM 96 CD HYP A 15 -7.960 4.111 0.688 1.00 92.93 C +HETATM 97 OD1 HYP A 15 -7.922 3.387 -1.574 1.00 91.08 O +ATOM 98 N GLY A 16 -5.247 0.395 1.829 1.00 94.54 N +ATOM 99 CA GLY A 16 -4.324 -0.065 2.819 1.00 94.37 C +ATOM 100 C GLY A 16 -3.088 0.807 2.844 1.00 95.21 C +ATOM 101 O GLY A 16 -2.858 1.613 1.936 1.00 94.88 O +ATOM 102 N PRO A 17 -2.276 0.654 3.878 1.00 92.93 N +ATOM 103 CA PRO A 17 -1.054 1.438 3.975 1.00 93.05 C +ATOM 104 C PRO A 17 -0.035 0.995 2.941 1.00 93.42 C +ATOM 105 O PRO A 17 -0.143 -0.093 2.372 1.00 92.27 O +ATOM 106 CB PRO A 17 -0.572 1.171 5.396 1.00 91.52 C +ATOM 107 CG PRO A 17 -1.091 -0.199 5.678 1.00 89.49 C +ATOM 108 CD PRO A 17 -2.437 -0.252 5.008 1.00 91.46 C +HETATM 109 N HYP A 18 0.938 1.878 2.708 1.00 90.57 N +HETATM 110 CA HYP A 18 2.008 1.482 1.836 1.00 91.85 C +HETATM 111 C HYP A 18 2.661 0.233 2.309 1.00 92.26 C +HETATM 112 O HYP A 18 2.758 -0.014 3.523 1.00 93.93 O +HETATM 113 CB HYP A 18 2.941 2.703 1.889 1.00 89.30 C +HETATM 114 CG HYP A 18 2.055 3.863 2.234 1.00 88.68 C +HETATM 115 CD HYP A 18 1.066 3.235 3.194 1.00 91.90 C +HETATM 116 OD1 HYP A 18 1.364 4.316 1.075 1.00 89.41 O +ATOM 117 N GLY A 19 3.081 -0.597 1.377 1.00 92.23 N +ATOM 118 CA GLY A 19 3.792 -1.802 1.710 1.00 92.28 C +ATOM 119 C GLY A 19 5.140 -1.476 2.317 1.00 93.20 C +ATOM 120 O GLY A 19 5.614 -0.343 2.234 1.00 93.77 O +ATOM 121 N PRO A 20 5.767 -2.455 2.932 1.00 90.93 N +ATOM 122 CA PRO A 20 7.072 -2.220 3.526 1.00 91.06 C +ATOM 123 C PRO A 20 8.138 -2.035 2.463 1.00 90.91 C +ATOM 124 O PRO A 20 7.953 -2.413 1.309 1.00 90.11 O +ATOM 125 CB PRO A 20 7.308 -3.488 4.350 1.00 88.70 C +ATOM 126 CG PRO A 20 6.550 -4.525 3.606 1.00 87.04 C +ATOM 127 CD PRO A 20 5.317 -3.827 3.106 1.00 90.40 C +HETATM 128 N HYP A 21 9.252 -1.424 2.876 1.00 91.75 N +HETATM 129 CA HYP A 21 10.351 -1.305 1.970 1.00 92.66 C +HETATM 130 C HYP A 21 10.825 -2.626 1.430 1.00 92.07 C +HETATM 131 O HYP A 21 10.797 -3.618 2.166 1.00 94.14 O +HETATM 132 CB HYP A 21 11.439 -0.606 2.801 1.00 89.63 C +HETATM 133 CG HYP A 21 10.680 0.146 3.865 1.00 87.88 C +HETATM 134 CD HYP A 21 9.523 -0.774 4.152 1.00 91.05 C +HETATM 135 OD1 HYP A 21 10.179 1.358 3.310 1.00 88.70 O +ATOM 136 N GLY A 22 11.171 -2.679 0.184 1.00 90.90 N +ATOM 137 CA GLY A 22 11.694 -3.875 -0.407 1.00 89.99 C +ATOM 138 C GLY A 22 13.081 -4.166 0.140 1.00 90.02 C +ATOM 139 O GLY A 22 13.649 -3.360 0.878 1.00 90.15 O +ATOM 140 N PRO A 23 13.675 -5.295 -0.218 1.00 91.91 N +ATOM 141 CA PRO A 23 15.013 -5.621 0.254 1.00 90.89 C +ATOM 142 C PRO A 23 16.033 -4.732 -0.439 1.00 89.22 C +ATOM 143 O PRO A 23 16.388 -4.962 -1.589 1.00 85.36 O +ATOM 144 CB PRO A 23 15.168 -7.090 -0.124 1.00 87.84 C +ATOM 145 CG PRO A 23 14.286 -7.254 -1.307 1.00 86.31 C +ATOM 146 CD PRO A 23 13.118 -6.328 -1.066 1.00 89.47 C +HETATM 147 N HYP A 24 16.414 -3.650 0.110 1.00 94.16 N +HETATM 148 CA HYP A 24 17.027 -2.466 -0.656 1.00 89.63 C +HETATM 149 C HYP A 24 16.140 -1.643 -1.389 1.00 94.49 C +HETATM 150 O HYP A 24 16.493 -1.439 -2.655 1.00 93.04 O +HETATM 151 CB HYP A 24 17.813 -1.727 0.431 1.00 87.47 C +HETATM 152 CG HYP A 24 17.988 -2.708 1.630 1.00 86.82 C +HETATM 153 CD HYP A 24 17.017 -3.856 1.348 1.00 91.59 C +HETATM 154 OD1 HYP A 24 19.289 -3.226 1.630 1.00 88.93 O +HETATM 155 OXT HYP A 24 15.826 -0.324 -0.933 1.00 88.28 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_142.txt b/protein_pdb_142.txt new file mode 100644 index 0000000000000000000000000000000000000000..5e2f038a161a9016d0a2463a808374971fcffdb1 --- /dev/null +++ b/protein_pdb_142.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 9.158 0.732 -12.615 1.00 86.90 N +ATOM 2 CA GLY A 1 8.822 1.999 -12.004 1.00 87.73 C +ATOM 3 C GLY A 1 8.917 1.924 -10.504 1.00 88.32 C +ATOM 4 O GLY A 1 9.210 0.870 -9.942 1.00 86.19 O +ATOM 5 N PRO A 2 8.648 3.031 -9.790 1.00 90.02 N +ATOM 6 CA PRO A 2 8.732 3.055 -8.334 1.00 90.38 C +ATOM 7 C PRO A 2 7.617 2.253 -7.683 1.00 90.44 C +ATOM 8 O PRO A 2 6.609 1.941 -8.309 1.00 88.75 O +ATOM 9 CB PRO A 2 8.607 4.539 -8.002 1.00 87.20 C +ATOM 10 CG PRO A 2 7.837 5.102 -9.137 1.00 84.04 C +ATOM 11 CD PRO A 2 8.249 4.318 -10.344 1.00 85.37 C +HETATM 12 N HYP A 3 7.834 1.920 -6.446 1.00 87.06 N +HETATM 13 CA HYP A 3 6.769 1.266 -5.664 1.00 84.75 C +HETATM 14 C HYP A 3 5.529 2.107 -5.627 1.00 88.08 C +HETATM 15 O HYP A 3 5.620 3.350 -5.663 1.00 91.73 O +HETATM 16 CB HYP A 3 7.409 1.155 -4.254 1.00 88.15 C +HETATM 17 CG HYP A 3 8.877 1.064 -4.546 1.00 85.83 C +HETATM 18 CD HYP A 3 9.046 2.060 -5.698 1.00 87.93 C +HETATM 19 OD1 HYP A 3 9.180 -0.223 -4.978 1.00 87.19 O +ATOM 20 N GLY A 4 4.415 1.425 -5.616 1.00 91.32 N +ATOM 21 CA GLY A 4 3.159 2.110 -5.509 1.00 90.59 C +ATOM 22 C GLY A 4 3.005 2.795 -4.168 1.00 91.01 C +ATOM 23 O GLY A 4 3.796 2.587 -3.249 1.00 91.71 O +ATOM 24 N PRO A 5 1.977 3.624 -4.046 1.00 92.02 N +ATOM 25 CA PRO A 5 1.749 4.335 -2.797 1.00 91.48 C +ATOM 26 C PRO A 5 1.234 3.404 -1.712 1.00 91.33 C +ATOM 27 O PRO A 5 0.751 2.315 -1.987 1.00 90.70 O +ATOM 28 CB PRO A 5 0.695 5.372 -3.177 1.00 89.73 C +ATOM 29 CG PRO A 5 -0.047 4.729 -4.287 1.00 87.70 C +ATOM 30 CD PRO A 5 0.963 3.937 -5.053 1.00 89.66 C +HETATM 31 N HYP A 6 1.362 3.866 -0.472 1.00 90.68 N +HETATM 32 CA HYP A 6 0.811 3.123 0.631 1.00 92.45 C +HETATM 33 C HYP A 6 -0.686 2.954 0.511 1.00 91.88 C +HETATM 34 O HYP A 6 -1.376 3.845 -0.045 1.00 91.71 O +HETATM 35 CB HYP A 6 1.131 4.066 1.838 1.00 89.76 C +HETATM 36 CG HYP A 6 2.345 4.827 1.392 1.00 89.27 C +HETATM 37 CD HYP A 6 2.058 5.058 -0.073 1.00 90.70 C +HETATM 38 OD1 HYP A 6 3.471 3.985 1.529 1.00 89.02 O +ATOM 39 N GLY A 7 -1.155 1.836 0.943 1.00 92.61 N +ATOM 40 CA GLY A 7 -2.572 1.598 0.953 1.00 91.36 C +ATOM 41 C GLY A 7 -3.277 2.526 1.921 1.00 91.63 C +ATOM 42 O GLY A 7 -2.653 3.236 2.703 1.00 91.89 O +ATOM 43 N PRO A 8 -4.601 2.524 1.857 1.00 94.21 N +ATOM 44 CA PRO A 8 -5.366 3.375 2.751 1.00 93.65 C +ATOM 45 C PRO A 8 -5.366 2.846 4.171 1.00 93.71 C +ATOM 46 O PRO A 8 -5.084 1.680 4.421 1.00 92.48 O +ATOM 47 CB PRO A 8 -6.774 3.330 2.153 1.00 91.62 C +ATOM 48 CG PRO A 8 -6.832 1.990 1.515 1.00 90.35 C +ATOM 49 CD PRO A 8 -5.451 1.726 0.986 1.00 91.91 C +HETATM 50 N HYP A 9 -5.704 3.731 5.109 1.00 89.05 N +HETATM 51 CA HYP A 9 -5.835 3.336 6.464 1.00 91.07 C +HETATM 52 C HYP A 9 -6.970 2.336 6.637 1.00 88.87 C +HETATM 53 O HYP A 9 -8.011 2.465 5.959 1.00 90.27 O +HETATM 54 CB HYP A 9 -6.229 4.653 7.206 1.00 87.39 C +HETATM 55 CG HYP A 9 -5.684 5.721 6.337 1.00 85.96 C +HETATM 56 CD HYP A 9 -5.840 5.200 4.969 1.00 89.37 C +HETATM 57 OD1 HYP A 9 -4.301 5.856 6.616 1.00 85.41 O +ATOM 58 N GLY A 10 -6.819 1.363 7.448 1.00 91.51 N +ATOM 59 CA GLY A 10 -7.922 0.522 7.842 1.00 89.07 C +ATOM 60 C GLY A 10 -8.799 1.242 8.844 1.00 88.71 C +ATOM 61 O GLY A 10 -8.510 2.362 9.271 1.00 87.38 O +ATOM 62 N ASN A 11 -9.876 0.575 9.239 1.00 93.54 N +ATOM 63 CA ASN A 11 -10.756 1.180 10.241 1.00 94.14 C +ATOM 64 C ASN A 11 -10.024 1.524 11.527 1.00 94.38 C +ATOM 65 O ASN A 11 -10.363 2.497 12.191 1.00 91.81 O +ATOM 66 CB ASN A 11 -11.907 0.237 10.558 1.00 92.18 C +ATOM 67 CG ASN A 11 -12.908 0.134 9.434 1.00 87.45 C +ATOM 68 OD1 ASN A 11 -13.051 1.054 8.629 1.00 83.89 O +ATOM 69 ND2 ASN A 11 -13.611 -0.983 9.377 1.00 81.01 N +ATOM 70 N ARG A 12 -9.048 0.705 11.873 1.00 92.66 N +ATOM 71 CA ARG A 12 -8.262 0.867 13.085 1.00 93.23 C +ATOM 72 C ARG A 12 -6.769 0.801 12.841 1.00 93.24 C +ATOM 73 O ARG A 12 -6.000 0.848 13.803 1.00 90.30 O +ATOM 74 CB ARG A 12 -8.626 -0.229 14.096 1.00 90.43 C +ATOM 75 CG ARG A 12 -10.042 -0.187 14.595 1.00 85.04 C +ATOM 76 CD ARG A 12 -10.503 -1.529 15.134 1.00 81.21 C +ATOM 77 NE ARG A 12 -9.521 -2.162 15.997 1.00 76.85 N +ATOM 78 CZ ARG A 12 -8.892 -3.294 15.733 1.00 73.41 C +ATOM 79 NH1 ARG A 12 -9.129 -3.953 14.608 1.00 72.23 N +ATOM 80 NH2 ARG A 12 -8.018 -3.771 16.589 1.00 67.31 N +ATOM 81 N GLY A 13 -6.355 0.643 11.594 1.00 94.31 N +ATOM 82 CA GLY A 13 -4.981 0.280 11.311 1.00 93.62 C +ATOM 83 C GLY A 13 -4.212 1.278 10.496 1.00 94.03 C +ATOM 84 O GLY A 13 -4.755 2.263 9.993 1.00 93.65 O +ATOM 85 N PRO A 14 -2.921 1.022 10.366 1.00 94.34 N +ATOM 86 CA PRO A 14 -2.046 1.879 9.589 1.00 93.88 C +ATOM 87 C PRO A 14 -2.283 1.702 8.104 1.00 94.00 C +ATOM 88 O PRO A 14 -2.987 0.799 7.670 1.00 93.33 O +ATOM 89 CB PRO A 14 -0.651 1.390 9.974 1.00 92.31 C +ATOM 90 CG PRO A 14 -0.856 -0.056 10.261 1.00 91.42 C +ATOM 91 CD PRO A 14 -2.212 -0.145 10.898 1.00 92.30 C +HETATM 92 N HYP A 15 -1.631 2.576 7.373 1.00 92.88 N +HETATM 93 CA HYP A 15 -1.667 2.425 5.935 1.00 91.47 C +HETATM 94 C HYP A 15 -1.116 1.100 5.486 1.00 93.68 C +HETATM 95 O HYP A 15 -0.240 0.547 6.178 1.00 92.95 O +HETATM 96 CB HYP A 15 -0.752 3.587 5.486 1.00 90.33 C +HETATM 97 CG HYP A 15 -0.819 4.593 6.625 1.00 88.92 C +HETATM 98 CD HYP A 15 -0.888 3.709 7.845 1.00 92.12 C +HETATM 99 OD1 HYP A 15 -1.994 5.353 6.519 1.00 89.39 O +ATOM 100 N GLY A 16 -1.632 0.604 4.404 1.00 94.11 N +ATOM 101 CA GLY A 16 -1.115 -0.614 3.841 1.00 93.67 C +ATOM 102 C GLY A 16 0.288 -0.425 3.310 1.00 94.30 C +ATOM 103 O GLY A 16 0.802 0.687 3.233 1.00 94.25 O +ATOM 104 N PRO A 17 0.914 -1.539 2.940 1.00 93.71 N +ATOM 105 CA PRO A 17 2.269 -1.471 2.414 1.00 92.88 C +ATOM 106 C PRO A 17 2.299 -0.849 1.030 1.00 93.51 C +ATOM 107 O PRO A 17 1.288 -0.788 0.335 1.00 92.88 O +ATOM 108 CB PRO A 17 2.707 -2.934 2.376 1.00 91.32 C +ATOM 109 CG PRO A 17 1.436 -3.680 2.214 1.00 90.47 C +ATOM 110 CD PRO A 17 0.399 -2.908 2.968 1.00 91.88 C +HETATM 111 N HYP A 18 3.476 -0.386 0.637 1.00 90.37 N +HETATM 112 CA HYP A 18 3.661 0.090 -0.693 1.00 90.15 C +HETATM 113 C HYP A 18 3.333 -0.942 -1.728 1.00 92.58 C +HETATM 114 O HYP A 18 3.547 -2.161 -1.486 1.00 92.01 O +HETATM 115 CB HYP A 18 5.164 0.433 -0.732 1.00 88.61 C +HETATM 116 CG HYP A 18 5.501 0.736 0.709 1.00 87.72 C +HETATM 117 CD HYP A 18 4.654 -0.264 1.449 1.00 91.17 C +HETATM 118 OD1 HYP A 18 5.061 2.053 1.019 1.00 89.37 O +ATOM 119 N GLY A 19 2.819 -0.528 -2.833 1.00 91.12 N +ATOM 120 CA GLY A 19 2.572 -1.411 -3.937 1.00 90.45 C +ATOM 121 C GLY A 19 3.854 -1.891 -4.574 1.00 90.42 C +ATOM 122 O GLY A 19 4.944 -1.405 -4.258 1.00 91.33 O +ATOM 123 N PRO A 20 3.735 -2.853 -5.475 1.00 87.50 N +ATOM 124 CA PRO A 20 4.913 -3.380 -6.144 1.00 86.69 C +ATOM 125 C PRO A 20 5.480 -2.381 -7.137 1.00 86.32 C +ATOM 126 O PRO A 20 4.823 -1.424 -7.527 1.00 87.32 O +ATOM 127 CB PRO A 20 4.370 -4.626 -6.848 1.00 84.08 C +ATOM 128 CG PRO A 20 2.946 -4.302 -7.093 1.00 81.50 C +ATOM 129 CD PRO A 20 2.498 -3.476 -5.928 1.00 81.64 C +HETATM 130 N HYP A 21 6.742 -2.620 -7.517 1.00 85.95 N +HETATM 131 CA HYP A 21 7.330 -1.823 -8.551 1.00 87.68 C +HETATM 132 C HYP A 21 6.540 -1.790 -9.833 1.00 86.69 C +HETATM 133 O HYP A 21 5.912 -2.810 -10.176 1.00 92.33 O +HETATM 134 CB HYP A 21 8.708 -2.459 -8.769 1.00 86.41 C +HETATM 135 CG HYP A 21 9.023 -3.124 -7.459 1.00 83.57 C +HETATM 136 CD HYP A 21 7.693 -3.617 -6.985 1.00 88.60 C +HETATM 137 OD1 HYP A 21 9.466 -2.139 -6.523 1.00 86.07 O +ATOM 138 N GLY A 22 6.469 -0.658 -10.474 1.00 90.42 N +ATOM 139 CA GLY A 22 5.808 -0.531 -11.737 1.00 88.45 C +ATOM 140 C GLY A 22 6.552 -1.270 -12.832 1.00 88.40 C +ATOM 141 O GLY A 22 7.617 -1.841 -12.603 1.00 88.13 O +ATOM 142 N PRO A 23 6.005 -1.252 -14.044 1.00 93.24 N +ATOM 143 CA PRO A 23 6.648 -1.947 -15.154 1.00 92.95 C +ATOM 144 C PRO A 23 7.958 -1.283 -15.533 1.00 92.24 C +ATOM 145 O PRO A 23 8.200 -0.121 -15.230 1.00 90.01 O +ATOM 146 CB PRO A 23 5.624 -1.854 -16.275 1.00 90.39 C +ATOM 147 CG PRO A 23 4.846 -0.639 -15.950 1.00 88.44 C +ATOM 148 CD PRO A 23 4.795 -0.565 -14.448 1.00 90.75 C +HETATM 149 N HYP A 24 8.791 -1.933 -16.154 1.00 91.15 N +HETATM 150 CA HYP A 24 10.094 -1.387 -16.560 1.00 83.74 C +HETATM 151 C HYP A 24 10.028 0.055 -16.915 1.00 87.68 C +HETATM 152 O HYP A 24 10.379 0.499 -18.006 1.00 85.65 O +HETATM 153 CB HYP A 24 10.515 -2.260 -17.714 1.00 85.73 C +HETATM 154 CG HYP A 24 9.738 -3.516 -17.611 1.00 84.28 C +HETATM 155 CD HYP A 24 8.475 -3.157 -16.860 1.00 89.08 C +HETATM 156 OD1 HYP A 24 10.432 -4.460 -16.811 1.00 85.98 O +HETATM 157 OXT HYP A 24 9.686 0.802 -16.022 1.00 84.96 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_143.txt b/protein_pdb_143.txt new file mode 100644 index 0000000000000000000000000000000000000000..d7828883eca8c2032ef7aba98a22bb4b6b2baae7 --- /dev/null +++ b/protein_pdb_143.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 3.371 1.905 4.900 1.00 80.04 N +ATOM 2 CA GLY A 1 3.954 1.068 3.871 1.00 81.91 C +ATOM 3 C GLY A 1 3.694 1.643 2.501 1.00 82.10 C +ATOM 4 O GLY A 1 3.019 2.665 2.356 1.00 78.47 O +ATOM 5 N PRO A 2 4.200 0.999 1.433 1.00 81.04 N +ATOM 6 CA PRO A 2 4.011 1.480 0.076 1.00 82.85 C +ATOM 7 C PRO A 2 2.572 1.289 -0.381 1.00 81.93 C +ATOM 8 O PRO A 2 1.822 0.528 0.207 1.00 80.09 O +ATOM 9 CB PRO A 2 4.968 0.611 -0.740 1.00 79.16 C +ATOM 10 CG PRO A 2 5.025 -0.660 0.024 1.00 75.26 C +ATOM 11 CD PRO A 2 4.948 -0.249 1.468 1.00 76.02 C +HETATM 12 N HYP A 3 2.160 1.992 -1.391 1.00 81.25 N +HETATM 13 CA HYP A 3 0.910 1.787 -2.010 1.00 83.78 C +HETATM 14 C HYP A 3 0.678 0.318 -2.344 1.00 82.48 C +HETATM 15 O HYP A 3 1.638 -0.413 -2.640 1.00 83.09 O +HETATM 16 CB HYP A 3 0.973 2.736 -3.211 1.00 77.56 C +HETATM 17 CG HYP A 3 1.814 3.878 -2.710 1.00 74.46 C +HETATM 18 CD HYP A 3 2.894 3.119 -1.964 1.00 79.38 C +HETATM 19 OD1 HYP A 3 1.076 4.691 -1.822 1.00 79.09 O +ATOM 20 N GLY A 4 -0.525 -0.128 -2.176 1.00 82.61 N +ATOM 21 CA GLY A 4 -0.859 -1.494 -2.455 1.00 80.27 C +ATOM 22 C GLY A 4 -0.631 -1.824 -3.916 1.00 79.80 C +ATOM 23 O GLY A 4 -0.325 -0.952 -4.726 1.00 78.80 O +ATOM 24 N PRO A 5 -0.775 -3.085 -4.241 1.00 86.04 N +ATOM 25 CA PRO A 5 -0.591 -3.479 -5.632 1.00 85.69 C +ATOM 26 C PRO A 5 -1.716 -2.916 -6.481 1.00 84.90 C +ATOM 27 O PRO A 5 -2.769 -2.535 -5.982 1.00 83.19 O +ATOM 28 CB PRO A 5 -0.643 -5.000 -5.574 1.00 82.86 C +ATOM 29 CG PRO A 5 -1.497 -5.281 -4.385 1.00 81.25 C +ATOM 30 CD PRO A 5 -1.179 -4.196 -3.399 1.00 84.31 C +HETATM 31 N HYP A 6 -1.495 -2.911 -7.748 1.00 84.36 N +HETATM 32 CA HYP A 6 -2.496 -2.494 -8.634 1.00 88.95 C +HETATM 33 C HYP A 6 -3.747 -3.336 -8.518 1.00 83.25 C +HETATM 34 O HYP A 6 -3.660 -4.560 -8.317 1.00 85.49 O +HETATM 35 CB HYP A 6 -1.832 -2.575 -9.995 1.00 81.60 C +HETATM 36 CG HYP A 6 -0.373 -2.337 -9.663 1.00 80.43 C +HETATM 37 CD HYP A 6 -0.219 -3.090 -8.374 1.00 84.22 C +HETATM 38 OD1 HYP A 6 -0.095 -0.985 -9.470 1.00 80.10 O +ATOM 39 N GLY A 7 -4.880 -2.702 -8.454 1.00 82.53 N +ATOM 40 CA GLY A 7 -6.129 -3.406 -8.359 1.00 80.35 C +ATOM 41 C GLY A 7 -6.489 -4.007 -9.706 1.00 80.94 C +ATOM 42 O GLY A 7 -5.638 -4.134 -10.591 1.00 80.75 O +ATOM 43 N PRO A 8 -7.742 -4.356 -9.864 1.00 86.00 N +ATOM 44 CA PRO A 8 -8.181 -4.856 -11.162 1.00 86.95 C +ATOM 45 C PRO A 8 -7.917 -3.817 -12.240 1.00 86.52 C +ATOM 46 O PRO A 8 -7.751 -2.631 -11.950 1.00 85.81 O +ATOM 47 CB PRO A 8 -9.679 -5.082 -10.971 1.00 85.11 C +ATOM 48 CG PRO A 8 -9.843 -5.239 -9.503 1.00 84.44 C +ATOM 49 CD PRO A 8 -8.820 -4.328 -8.890 1.00 86.45 C +HETATM 50 N HYP A 9 -7.855 -4.298 -13.515 1.00 82.79 N +HETATM 51 CA HYP A 9 -7.697 -3.383 -14.577 1.00 86.55 C +HETATM 52 C HYP A 9 -8.448 -2.173 -14.422 1.00 80.28 C +HETATM 53 O HYP A 9 -9.641 -2.204 -14.060 1.00 79.70 O +HETATM 54 CB HYP A 9 -7.858 -4.273 -15.797 1.00 81.83 C +HETATM 55 CG HYP A 9 -7.260 -5.590 -15.321 1.00 79.42 C +HETATM 56 CD HYP A 9 -7.684 -5.659 -13.898 1.00 81.77 C +HETATM 57 OD1 HYP A 9 -5.874 -5.620 -15.398 1.00 78.46 O +ATOM 58 N GLY A 10 -7.770 -0.941 -14.505 1.00 82.95 N +ATOM 59 CA GLY A 10 -8.344 0.372 -14.385 1.00 80.29 C +ATOM 60 C GLY A 10 -8.465 0.898 -12.966 1.00 81.24 C +ATOM 61 O GLY A 10 -8.910 2.026 -12.777 1.00 79.13 O +ATOM 62 N GLN A 11 -8.070 0.126 -11.967 1.00 83.57 N +ATOM 63 CA GLN A 11 -8.216 0.509 -10.568 1.00 85.52 C +ATOM 64 C GLN A 11 -6.933 0.184 -9.820 1.00 84.08 C +ATOM 65 O GLN A 11 -6.557 -0.974 -9.702 1.00 81.26 O +ATOM 66 CB GLN A 11 -9.356 -0.266 -9.910 1.00 82.00 C +ATOM 67 CG GLN A 11 -10.706 -0.142 -10.611 1.00 78.06 C +ATOM 68 CD GLN A 11 -11.342 1.221 -10.445 1.00 72.80 C +ATOM 69 OE1 GLN A 11 -10.962 1.999 -9.573 1.00 70.68 O +ATOM 70 NE2 GLN A 11 -12.325 1.510 -11.282 1.00 67.47 N +ATOM 71 N MET A 12 -6.263 1.201 -9.308 1.00 83.88 N +ATOM 72 CA MET A 12 -5.114 0.940 -8.443 1.00 84.53 C +ATOM 73 C MET A 12 -5.643 0.443 -7.110 1.00 84.32 C +ATOM 74 O MET A 12 -6.656 0.923 -6.608 1.00 77.47 O +ATOM 75 CB MET A 12 -4.279 2.203 -8.250 1.00 80.88 C +ATOM 76 CG MET A 12 -3.032 1.944 -7.425 1.00 76.47 C +ATOM 77 SD MET A 12 -1.909 3.341 -7.409 1.00 71.94 S +ATOM 78 CE MET A 12 -1.277 3.259 -9.070 1.00 66.45 C +ATOM 79 N GLY A 13 -4.934 -0.511 -6.535 1.00 84.17 N +ATOM 80 CA GLY A 13 -5.339 -1.043 -5.252 1.00 82.28 C +ATOM 81 C GLY A 13 -5.182 -0.016 -4.144 1.00 81.83 C +ATOM 82 O GLY A 13 -4.583 1.039 -4.332 1.00 81.16 O +ATOM 83 N PRO A 14 -5.728 -0.307 -2.970 1.00 82.90 N +ATOM 84 CA PRO A 14 -5.595 0.611 -1.849 1.00 83.36 C +ATOM 85 C PRO A 14 -4.152 0.642 -1.368 1.00 82.81 C +ATOM 86 O PRO A 14 -3.370 -0.255 -1.642 1.00 80.45 O +ATOM 87 CB PRO A 14 -6.520 0.017 -0.785 1.00 80.61 C +ATOM 88 CG PRO A 14 -6.556 -1.429 -1.104 1.00 79.58 C +ATOM 89 CD PRO A 14 -6.471 -1.514 -2.604 1.00 79.66 C +HETATM 90 N HYP A 15 -3.824 1.666 -0.655 1.00 75.47 N +HETATM 91 CA HYP A 15 -2.524 1.780 -0.069 1.00 77.17 C +HETATM 92 C HYP A 15 -2.174 0.540 0.733 1.00 77.08 C +HETATM 93 O HYP A 15 -3.094 -0.089 1.307 1.00 80.88 O +HETATM 94 CB HYP A 15 -2.647 3.076 0.716 1.00 71.90 C +HETATM 95 CG HYP A 15 -3.658 3.867 -0.089 1.00 70.43 C +HETATM 96 CD HYP A 15 -4.647 2.821 -0.461 1.00 80.38 C +HETATM 97 OD1 HYP A 15 -3.078 4.436 -1.247 1.00 77.86 O +ATOM 98 N GLY A 16 -0.943 0.187 0.720 1.00 79.54 N +ATOM 99 CA GLY A 16 -0.502 -0.937 1.496 1.00 77.27 C +ATOM 100 C GLY A 16 -0.625 -0.644 2.981 1.00 76.31 C +ATOM 101 O GLY A 16 -0.911 0.484 3.383 1.00 76.65 O +ATOM 102 N PRO A 17 -0.409 -1.661 3.802 1.00 77.53 N +ATOM 103 CA PRO A 17 -0.484 -1.453 5.238 1.00 78.95 C +ATOM 104 C PRO A 17 0.645 -0.548 5.700 1.00 77.92 C +ATOM 105 O PRO A 17 1.660 -0.400 5.029 1.00 79.12 O +ATOM 106 CB PRO A 17 -0.350 -2.862 5.811 1.00 78.28 C +ATOM 107 CG PRO A 17 0.374 -3.619 4.760 1.00 76.67 C +ATOM 108 CD PRO A 17 -0.059 -3.034 3.452 1.00 77.37 C +HETATM 109 N HYP A 18 0.474 0.053 6.846 1.00 80.07 N +HETATM 110 CA HYP A 18 1.511 0.832 7.401 1.00 87.05 C +HETATM 111 C HYP A 18 2.798 0.055 7.501 1.00 74.76 C +HETATM 112 O HYP A 18 2.772 -1.171 7.700 1.00 83.11 O +HETATM 113 CB HYP A 18 0.940 1.243 8.733 1.00 72.18 C +HETATM 114 CG HYP A 18 -0.565 1.239 8.534 1.00 70.02 C +HETATM 115 CD HYP A 18 -0.746 0.073 7.620 1.00 79.34 C +HETATM 116 OD1 HYP A 18 -0.985 2.427 7.881 1.00 77.26 O +ATOM 117 N GLY A 19 3.909 0.715 7.280 1.00 77.43 N +ATOM 118 CA GLY A 19 5.194 0.084 7.423 1.00 75.88 C +ATOM 119 C GLY A 19 5.395 -0.387 8.851 1.00 76.00 C +ATOM 120 O GLY A 19 4.630 -0.041 9.750 1.00 77.47 O +ATOM 121 N PRO A 20 6.432 -1.168 9.061 1.00 74.53 N +ATOM 122 CA PRO A 20 6.686 -1.673 10.399 1.00 76.66 C +ATOM 123 C PRO A 20 7.125 -0.554 11.325 1.00 75.81 C +ATOM 124 O PRO A 20 7.598 0.487 10.884 1.00 78.40 O +ATOM 125 CB PRO A 20 7.800 -2.696 10.184 1.00 74.30 C +ATOM 126 CG PRO A 20 8.504 -2.211 8.967 1.00 70.99 C +ATOM 127 CD PRO A 20 7.426 -1.626 8.094 1.00 71.55 C +HETATM 128 N HYP A 21 6.980 -0.759 12.595 1.00 75.15 N +HETATM 129 CA HYP A 21 7.432 0.178 13.564 1.00 80.36 C +HETATM 130 C HYP A 21 8.931 0.439 13.464 1.00 76.17 C +HETATM 131 O HYP A 21 9.685 -0.459 13.055 1.00 80.90 O +HETATM 132 CB HYP A 21 7.126 -0.537 14.888 1.00 75.04 C +HETATM 133 CG HYP A 21 6.011 -1.519 14.561 1.00 68.87 C +HETATM 134 CD HYP A 21 6.328 -1.932 13.154 1.00 74.47 C +HETATM 135 OD1 HYP A 21 4.734 -0.870 14.568 1.00 78.55 O +ATOM 136 N GLY A 22 9.361 1.637 13.707 1.00 77.40 N +ATOM 137 CA GLY A 22 10.763 1.944 13.721 1.00 75.89 C +ATOM 138 C GLY A 22 11.462 1.188 14.844 1.00 75.22 C +ATOM 139 O GLY A 22 10.821 0.532 15.664 1.00 76.47 O +ATOM 140 N PRO A 23 12.766 1.307 14.906 1.00 79.01 N +ATOM 141 CA PRO A 23 13.488 0.622 15.973 1.00 82.79 C +ATOM 142 C PRO A 23 13.112 1.204 17.320 1.00 80.92 C +ATOM 143 O PRO A 23 12.732 2.365 17.430 1.00 78.02 O +ATOM 144 CB PRO A 23 14.961 0.849 15.637 1.00 78.28 C +ATOM 145 CG PRO A 23 14.988 1.894 14.614 1.00 73.53 C +ATOM 146 CD PRO A 23 13.635 2.025 13.997 1.00 77.81 C +HETATM 147 N HYP A 24 13.245 0.464 18.386 1.00 83.56 N +HETATM 148 CA HYP A 24 12.827 0.950 19.641 1.00 79.13 C +HETATM 149 C HYP A 24 13.196 2.327 19.956 1.00 79.39 C +HETATM 150 O HYP A 24 14.350 2.669 19.716 1.00 80.81 O +HETATM 151 CB HYP A 24 13.255 -0.128 20.644 1.00 76.14 C +HETATM 152 CG HYP A 24 13.496 -1.362 19.818 1.00 75.47 C +HETATM 153 CD HYP A 24 13.911 -0.830 18.464 1.00 82.31 C +HETATM 154 OD1 HYP A 24 12.275 -2.091 19.680 1.00 79.32 O +HETATM 155 OXT HYP A 24 12.319 3.062 20.474 1.00 79.50 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_144.txt b/protein_pdb_144.txt new file mode 100644 index 0000000000000000000000000000000000000000..6ddfe100f47284dcf27ce05405884d15304ade18 --- /dev/null +++ b/protein_pdb_144.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 8.240 2.654 -12.769 1.00 89.24 N +ATOM 2 CA GLY A 1 8.483 3.599 -11.692 1.00 90.21 C +ATOM 3 C GLY A 1 8.582 2.898 -10.365 1.00 91.00 C +ATOM 4 O GLY A 1 8.430 1.684 -10.282 1.00 88.85 O +ATOM 5 N PRO A 2 8.799 3.635 -9.251 1.00 91.14 N +ATOM 6 CA PRO A 2 8.921 3.044 -7.924 1.00 91.65 C +ATOM 7 C PRO A 2 7.590 2.513 -7.414 1.00 91.93 C +ATOM 8 O PRO A 2 6.532 2.883 -7.901 1.00 89.97 O +ATOM 9 CB PRO A 2 9.424 4.203 -7.071 1.00 89.38 C +ATOM 10 CG PRO A 2 8.921 5.409 -7.766 1.00 85.55 C +ATOM 11 CD PRO A 2 8.961 5.087 -9.227 1.00 87.51 C +HETATM 12 N HYP A 3 7.701 1.628 -6.464 1.00 89.75 N +HETATM 13 CA HYP A 3 6.482 1.154 -5.790 1.00 89.38 C +HETATM 14 C HYP A 3 5.693 2.295 -5.205 1.00 90.98 C +HETATM 15 O HYP A 3 6.296 3.314 -4.793 1.00 93.63 O +HETATM 16 CB HYP A 3 7.061 0.238 -4.656 1.00 89.96 C +HETATM 17 CG HYP A 3 8.377 -0.279 -5.215 1.00 85.01 C +HETATM 18 CD HYP A 3 8.893 0.969 -5.979 1.00 90.07 C +HETATM 19 OD1 HYP A 3 8.102 -1.302 -6.122 1.00 89.59 O +ATOM 20 N GLY A 4 4.395 2.139 -5.239 1.00 92.91 N +ATOM 21 CA GLY A 4 3.536 3.127 -4.656 1.00 92.57 C +ATOM 22 C GLY A 4 3.694 3.183 -3.149 1.00 93.10 C +ATOM 23 O GLY A 4 4.317 2.314 -2.542 1.00 93.36 O +ATOM 24 N PRO A 5 3.126 4.213 -2.544 1.00 93.04 N +ATOM 25 CA PRO A 5 3.214 4.350 -1.095 1.00 92.79 C +ATOM 26 C PRO A 5 2.358 3.311 -0.390 1.00 92.70 C +ATOM 27 O PRO A 5 1.459 2.718 -0.980 1.00 91.75 O +ATOM 28 CB PRO A 5 2.704 5.759 -0.849 1.00 91.42 C +ATOM 29 CG PRO A 5 1.756 5.998 -1.970 1.00 89.00 C +ATOM 30 CD PRO A 5 2.348 5.287 -3.151 1.00 91.17 C +HETATM 31 N HYP A 6 2.668 3.109 0.873 1.00 92.56 N +HETATM 32 CA HYP A 6 1.853 2.222 1.685 1.00 94.95 C +HETATM 33 C HYP A 6 0.428 2.699 1.773 1.00 93.85 C +HETATM 34 O HYP A 6 0.160 3.930 1.735 1.00 93.69 O +HETATM 35 CB HYP A 6 2.540 2.360 3.083 1.00 90.58 C +HETATM 36 CG HYP A 6 3.965 2.720 2.757 1.00 88.64 C +HETATM 37 CD HYP A 6 3.796 3.651 1.568 1.00 91.23 C +HETATM 38 OD1 HYP A 6 4.662 1.559 2.368 1.00 90.80 O +ATOM 39 N GLY A 7 -0.450 1.759 1.791 1.00 92.83 N +ATOM 40 CA GLY A 7 -1.837 2.090 1.936 1.00 91.85 C +ATOM 41 C GLY A 7 -2.121 2.684 3.297 1.00 92.14 C +ATOM 42 O GLY A 7 -1.282 2.665 4.194 1.00 92.04 O +ATOM 43 N PRO A 8 -3.310 3.228 3.453 1.00 93.90 N +ATOM 44 CA PRO A 8 -3.684 3.801 4.736 1.00 93.25 C +ATOM 45 C PRO A 8 -3.942 2.719 5.766 1.00 93.22 C +ATOM 46 O PRO A 8 -4.112 1.549 5.430 1.00 92.35 O +ATOM 47 CB PRO A 8 -4.955 4.569 4.412 1.00 91.93 C +ATOM 48 CG PRO A 8 -5.546 3.803 3.285 1.00 90.87 C +ATOM 49 CD PRO A 8 -4.377 3.316 2.476 1.00 92.45 C +HETATM 50 N HYP A 9 -3.969 3.144 7.055 1.00 91.39 N +HETATM 51 CA HYP A 9 -4.301 2.238 8.071 1.00 93.35 C +HETATM 52 C HYP A 9 -5.682 1.637 7.892 1.00 91.88 C +HETATM 53 O HYP A 9 -6.605 2.342 7.448 1.00 92.36 O +HETATM 54 CB HYP A 9 -4.294 3.105 9.372 1.00 88.00 C +HETATM 55 CG HYP A 9 -3.357 4.213 9.055 1.00 87.83 C +HETATM 56 CD HYP A 9 -3.603 4.477 7.613 1.00 90.80 C +HETATM 57 OD1 HYP A 9 -2.033 3.739 9.241 1.00 85.73 O +ATOM 58 N GLY A 10 -5.812 0.393 8.117 1.00 91.80 N +ATOM 59 CA GLY A 10 -7.115 -0.223 8.070 1.00 89.29 C +ATOM 60 C GLY A 10 -7.968 0.268 9.222 1.00 89.44 C +ATOM 61 O GLY A 10 -7.505 0.988 10.107 1.00 87.76 O +ATOM 62 N LYS A 11 -9.218 -0.150 9.208 1.00 91.17 N +ATOM 63 CA LYS A 11 -10.112 0.181 10.311 1.00 92.26 C +ATOM 64 C LYS A 11 -9.479 -0.238 11.641 1.00 92.08 C +ATOM 65 O LYS A 11 -9.549 0.482 12.634 1.00 90.28 O +ATOM 66 CB LYS A 11 -11.445 -0.522 10.085 1.00 89.91 C +ATOM 67 CG LYS A 11 -12.495 -0.196 11.118 1.00 86.06 C +ATOM 68 CD LYS A 11 -13.809 -0.830 10.739 1.00 81.27 C +ATOM 69 CE LYS A 11 -14.880 -0.500 11.757 1.00 77.97 C +ATOM 70 NZ LYS A 11 -16.179 -1.075 11.359 1.00 71.11 N +ATOM 71 N ILE A 12 -8.851 -1.405 11.616 1.00 93.18 N +ATOM 72 CA ILE A 12 -8.039 -1.942 12.700 1.00 93.68 C +ATOM 73 C ILE A 12 -6.845 -2.586 12.013 1.00 93.69 C +ATOM 74 O ILE A 12 -7.019 -3.553 11.276 1.00 89.28 O +ATOM 75 CB ILE A 12 -8.784 -3.007 13.533 1.00 92.54 C +ATOM 76 CG1 ILE A 12 -10.065 -2.453 14.182 1.00 88.49 C +ATOM 77 CG2 ILE A 12 -7.847 -3.574 14.591 1.00 85.51 C +ATOM 78 CD1 ILE A 12 -9.836 -1.481 15.296 1.00 80.14 C +ATOM 79 N GLY A 13 -5.664 -2.065 12.221 1.00 94.41 N +ATOM 80 CA GLY A 13 -4.495 -2.707 11.650 1.00 93.88 C +ATOM 81 C GLY A 13 -3.518 -1.742 11.028 1.00 94.13 C +ATOM 82 O GLY A 13 -3.750 -0.535 10.978 1.00 93.56 O +ATOM 83 N PRO A 14 -2.403 -2.280 10.562 1.00 94.80 N +ATOM 84 CA PRO A 14 -1.322 -1.482 10.005 1.00 94.56 C +ATOM 85 C PRO A 14 -1.640 -0.970 8.612 1.00 94.61 C +ATOM 86 O PRO A 14 -2.633 -1.345 8.002 1.00 93.14 O +ATOM 87 CB PRO A 14 -0.153 -2.463 9.973 1.00 93.40 C +ATOM 88 CG PRO A 14 -0.809 -3.771 9.742 1.00 92.16 C +ATOM 89 CD PRO A 14 -2.093 -3.706 10.525 1.00 92.98 C +HETATM 90 N HYP A 15 -0.748 -0.129 8.174 1.00 92.27 N +HETATM 91 CA HYP A 15 -0.832 0.337 6.799 1.00 93.27 C +HETATM 92 C HYP A 15 -0.835 -0.788 5.816 1.00 93.38 C +HETATM 93 O HYP A 15 -0.221 -1.845 6.097 1.00 93.43 O +HETATM 94 CB HYP A 15 0.440 1.206 6.680 1.00 90.89 C +HETATM 95 CG HYP A 15 0.737 1.651 8.119 1.00 90.22 C +HETATM 96 CD HYP A 15 0.353 0.435 8.936 1.00 91.97 C +HETATM 97 OD1 HYP A 15 -0.081 2.746 8.450 1.00 91.14 O +ATOM 98 N GLY A 16 -1.491 -0.595 4.709 1.00 95.74 N +ATOM 99 CA GLY A 16 -1.481 -1.576 3.660 1.00 95.17 C +ATOM 100 C GLY A 16 -0.111 -1.678 3.013 1.00 95.51 C +ATOM 101 O GLY A 16 0.776 -0.873 3.275 1.00 95.33 O +ATOM 102 N PRO A 17 0.054 -2.686 2.165 1.00 94.43 N +ATOM 103 CA PRO A 17 1.329 -2.880 1.498 1.00 93.65 C +ATOM 104 C PRO A 17 1.587 -1.808 0.456 1.00 94.02 C +ATOM 105 O PRO A 17 0.677 -1.112 0.016 1.00 92.52 O +ATOM 106 CB PRO A 17 1.182 -4.261 0.858 1.00 92.61 C +ATOM 107 CG PRO A 17 -0.278 -4.382 0.617 1.00 91.32 C +ATOM 108 CD PRO A 17 -0.935 -3.682 1.770 1.00 92.86 C +HETATM 109 N HYP A 18 2.840 -1.684 0.070 1.00 90.37 N +HETATM 110 CA HYP A 18 3.201 -0.803 -0.994 1.00 90.35 C +HETATM 111 C HYP A 18 2.477 -1.130 -2.271 1.00 92.16 C +HETATM 112 O HYP A 18 2.177 -2.310 -2.546 1.00 92.40 O +HETATM 113 CB HYP A 18 4.714 -1.060 -1.161 1.00 89.04 C +HETATM 114 CG HYP A 18 5.171 -1.536 0.206 1.00 87.93 C +HETATM 115 CD HYP A 18 3.978 -2.360 0.654 1.00 91.44 C +HETATM 116 OD1 HYP A 18 5.320 -0.418 1.085 1.00 89.90 O +ATOM 117 N GLY A 19 2.169 -0.122 -3.031 1.00 93.23 N +ATOM 118 CA GLY A 19 1.562 -0.315 -4.314 1.00 93.18 C +ATOM 119 C GLY A 19 2.538 -0.914 -5.304 1.00 93.60 C +ATOM 120 O GLY A 19 3.737 -1.013 -5.041 1.00 94.01 O +ATOM 121 N PRO A 20 2.029 -1.323 -6.451 1.00 86.73 N +ATOM 122 CA PRO A 20 2.882 -1.908 -7.468 1.00 86.46 C +ATOM 123 C PRO A 20 3.761 -0.862 -8.126 1.00 86.51 C +ATOM 124 O PRO A 20 3.520 0.332 -8.010 1.00 87.31 O +ATOM 125 CB PRO A 20 1.875 -2.504 -8.455 1.00 85.06 C +ATOM 126 CG PRO A 20 0.691 -1.618 -8.322 1.00 81.69 C +ATOM 127 CD PRO A 20 0.635 -1.235 -6.870 1.00 83.16 C +HETATM 128 N HYP A 21 4.804 -1.346 -8.798 1.00 86.95 N +HETATM 129 CA HYP A 21 5.629 -0.460 -9.581 1.00 87.96 C +HETATM 130 C HYP A 21 4.873 0.361 -10.597 1.00 87.77 C +HETATM 131 O HYP A 21 3.874 -0.130 -11.125 1.00 93.43 O +HETATM 132 CB HYP A 21 6.647 -1.375 -10.256 1.00 85.89 C +HETATM 133 CG HYP A 21 6.745 -2.585 -9.337 1.00 78.83 C +HETATM 134 CD HYP A 21 5.340 -2.735 -8.813 1.00 87.91 C +HETATM 135 OD1 HYP A 21 7.590 -2.254 -8.234 1.00 86.64 O +ATOM 136 N GLY A 22 5.256 1.595 -10.760 1.00 92.10 N +ATOM 137 CA GLY A 22 4.644 2.440 -11.742 1.00 90.49 C +ATOM 138 C GLY A 22 4.986 1.982 -13.152 1.00 90.62 C +ATOM 139 O GLY A 22 5.716 1.011 -13.340 1.00 90.16 O +ATOM 140 N PRO A 23 4.468 2.691 -14.149 1.00 92.31 N +ATOM 141 CA PRO A 23 4.746 2.315 -15.530 1.00 91.69 C +ATOM 142 C PRO A 23 6.214 2.479 -15.862 1.00 90.62 C +ATOM 143 O PRO A 23 6.933 3.233 -15.212 1.00 87.80 O +ATOM 144 CB PRO A 23 3.864 3.251 -16.339 1.00 89.25 C +ATOM 145 CG PRO A 23 3.669 4.426 -15.455 1.00 86.54 C +ATOM 146 CD PRO A 23 3.649 3.883 -14.056 1.00 89.69 C +HETATM 147 N HYP A 24 6.681 1.816 -16.806 1.00 91.56 N +HETATM 148 CA HYP A 24 8.117 1.821 -17.140 1.00 86.03 C +HETATM 149 C HYP A 24 8.854 2.950 -16.560 1.00 88.99 C +HETATM 150 O HYP A 24 9.390 3.817 -17.282 1.00 88.77 O +HETATM 151 CB HYP A 24 8.196 1.601 -18.590 1.00 87.11 C +HETATM 152 CG HYP A 24 6.829 1.169 -19.049 1.00 85.32 C +HETATM 153 CD HYP A 24 5.870 1.498 -17.926 1.00 90.75 C +HETATM 154 OD1 HYP A 24 6.782 -0.244 -19.211 1.00 85.30 O +HETATM 155 OXT HYP A 24 9.036 2.950 -15.350 1.00 84.95 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_145.txt b/protein_pdb_145.txt new file mode 100644 index 0000000000000000000000000000000000000000..fb5c40b8a71f26323b92f2b531b1b1178b7eda05 --- /dev/null +++ b/protein_pdb_145.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 13.867 -1.965 -2.197 1.00 85.04 N +ATOM 2 CA GLY A 1 12.925 -2.285 -3.248 1.00 86.53 C +ATOM 3 C GLY A 1 11.854 -1.233 -3.362 1.00 87.23 C +ATOM 4 O GLY A 1 11.870 -0.241 -2.632 1.00 84.98 O +ATOM 5 N PRO A 2 10.844 -1.414 -4.257 1.00 88.14 N +ATOM 6 CA PRO A 2 9.779 -0.444 -4.434 1.00 88.98 C +ATOM 7 C PRO A 2 8.811 -0.449 -3.265 1.00 88.53 C +ATOM 8 O PRO A 2 8.763 -1.386 -2.480 1.00 86.95 O +ATOM 9 CB PRO A 2 9.099 -0.903 -5.722 1.00 85.29 C +ATOM 10 CG PRO A 2 9.346 -2.366 -5.752 1.00 80.54 C +ATOM 11 CD PRO A 2 10.714 -2.557 -5.164 1.00 82.00 C +HETATM 12 N HYP A 3 8.054 0.645 -3.186 1.00 86.47 N +HETATM 13 CA HYP A 3 7.015 0.688 -2.155 1.00 85.26 C +HETATM 14 C HYP A 3 6.050 -0.451 -2.314 1.00 87.28 C +HETATM 15 O HYP A 3 5.813 -0.893 -3.470 1.00 90.85 O +HETATM 16 CB HYP A 3 6.279 2.045 -2.498 1.00 85.91 C +HETATM 17 CG HYP A 3 7.326 2.894 -3.183 1.00 82.48 C +HETATM 18 CD HYP A 3 8.129 1.848 -4.011 1.00 86.70 C +HETATM 19 OD1 HYP A 3 8.169 3.434 -2.203 1.00 84.86 O +ATOM 20 N GLY A 4 5.588 -0.971 -1.197 1.00 91.40 N +ATOM 21 CA GLY A 4 4.619 -2.029 -1.236 1.00 90.45 C +ATOM 22 C GLY A 4 3.295 -1.557 -1.792 1.00 91.51 C +ATOM 23 O GLY A 4 3.062 -0.357 -1.945 1.00 91.37 O +ATOM 24 N PRO A 5 2.417 -2.499 -2.102 1.00 90.94 N +ATOM 25 CA PRO A 5 1.110 -2.133 -2.639 1.00 90.96 C +ATOM 26 C PRO A 5 0.237 -1.498 -1.571 1.00 90.74 C +ATOM 27 O PRO A 5 0.476 -1.658 -0.382 1.00 90.07 O +ATOM 28 CB PRO A 5 0.541 -3.466 -3.114 1.00 89.67 C +ATOM 29 CG PRO A 5 1.178 -4.463 -2.203 1.00 87.85 C +ATOM 30 CD PRO A 5 2.565 -3.940 -1.956 1.00 89.86 C +HETATM 31 N HYP A 6 -0.768 -0.778 -2.043 1.00 90.58 N +HETATM 32 CA HYP A 6 -1.741 -0.233 -1.119 1.00 93.68 C +HETATM 33 C HYP A 6 -2.397 -1.330 -0.328 1.00 91.27 C +HETATM 34 O HYP A 6 -2.542 -2.468 -0.843 1.00 92.24 O +HETATM 35 CB HYP A 6 -2.758 0.416 -2.101 1.00 88.08 C +HETATM 36 CG HYP A 6 -1.951 0.762 -3.318 1.00 87.76 C +HETATM 37 CD HYP A 6 -0.990 -0.420 -3.434 1.00 90.23 C +HETATM 38 OD1 HYP A 6 -1.220 1.947 -3.091 1.00 87.70 O +ATOM 39 N GLY A 7 -2.717 -1.056 0.897 1.00 91.42 N +ATOM 40 CA GLY A 7 -3.391 -2.011 1.733 1.00 90.85 C +ATOM 41 C GLY A 7 -4.761 -2.349 1.188 1.00 91.70 C +ATOM 42 O GLY A 7 -5.274 -1.688 0.287 1.00 91.36 O +ATOM 43 N PRO A 8 -5.365 -3.389 1.747 1.00 91.14 N +ATOM 44 CA PRO A 8 -6.679 -3.794 1.274 1.00 90.85 C +ATOM 45 C PRO A 8 -7.752 -2.817 1.712 1.00 91.02 C +ATOM 46 O PRO A 8 -7.602 -2.094 2.690 1.00 90.33 O +ATOM 47 CB PRO A 8 -6.874 -5.162 1.921 1.00 88.74 C +ATOM 48 CG PRO A 8 -6.070 -5.078 3.174 1.00 87.06 C +ATOM 49 CD PRO A 8 -4.872 -4.235 2.818 1.00 88.91 C +HETATM 50 N HYP A 9 -8.853 -2.813 0.976 1.00 89.07 N +HETATM 51 CA HYP A 9 -9.972 -2.033 1.333 1.00 89.97 C +HETATM 52 C HYP A 9 -10.574 -2.513 2.622 1.00 90.38 C +HETATM 53 O HYP A 9 -10.516 -3.718 2.923 1.00 89.80 O +HETATM 54 CB HYP A 9 -11.000 -2.301 0.188 1.00 85.86 C +HETATM 55 CG HYP A 9 -10.173 -2.747 -0.952 1.00 85.41 C +HETATM 56 CD HYP A 9 -9.037 -3.493 -0.330 1.00 89.40 C +HETATM 57 OD1 HYP A 9 -9.653 -1.608 -1.613 1.00 83.92 O +ATOM 58 N GLY A 10 -11.070 -1.671 3.452 1.00 91.08 N +ATOM 59 CA GLY A 10 -11.843 -2.079 4.605 1.00 88.61 C +ATOM 60 C GLY A 10 -13.211 -2.548 4.149 1.00 89.14 C +ATOM 61 O GLY A 10 -13.401 -2.931 2.994 1.00 88.67 O +ATOM 62 N ALA A 11 -14.158 -2.496 5.041 1.00 89.93 N +ATOM 63 CA ALA A 11 -15.529 -2.830 4.664 1.00 91.87 C +ATOM 64 C ALA A 11 -16.062 -1.667 3.828 1.00 92.91 C +ATOM 65 O ALA A 11 -16.753 -0.783 4.325 1.00 90.98 O +ATOM 66 CB ALA A 11 -16.375 -3.056 5.905 1.00 90.24 C +ATOM 67 N GLN A 12 -15.678 -1.669 2.568 1.00 92.70 N +ATOM 68 CA GLN A 12 -15.895 -0.584 1.609 1.00 93.62 C +ATOM 69 C GLN A 12 -15.013 0.627 1.904 1.00 93.79 C +ATOM 70 O GLN A 12 -15.191 1.683 1.304 1.00 89.74 O +ATOM 71 CB GLN A 12 -17.368 -0.156 1.546 1.00 91.49 C +ATOM 72 CG GLN A 12 -18.314 -1.270 1.118 1.00 85.66 C +ATOM 73 CD GLN A 12 -18.085 -1.672 -0.323 1.00 79.83 C +ATOM 74 OE1 GLN A 12 -17.330 -2.597 -0.602 1.00 74.42 O +ATOM 75 NE2 GLN A 12 -18.728 -0.978 -1.237 1.00 73.18 N +ATOM 76 N GLY A 13 -14.060 0.455 2.809 1.00 93.47 N +ATOM 77 CA GLY A 13 -13.130 1.522 3.107 1.00 92.27 C +ATOM 78 C GLY A 13 -12.083 1.665 2.022 1.00 92.71 C +ATOM 79 O GLY A 13 -11.925 0.791 1.172 1.00 92.76 O +ATOM 80 N PRO A 14 -11.346 2.769 2.049 1.00 90.61 N +ATOM 81 CA PRO A 14 -10.315 2.992 1.042 1.00 90.58 C +ATOM 82 C PRO A 14 -9.121 2.073 1.256 1.00 90.71 C +ATOM 83 O PRO A 14 -8.920 1.532 2.333 1.00 89.28 O +ATOM 84 CB PRO A 14 -9.930 4.453 1.240 1.00 88.63 C +ATOM 85 CG PRO A 14 -10.202 4.703 2.680 1.00 87.59 C +ATOM 86 CD PRO A 14 -11.417 3.876 3.004 1.00 88.66 C +HETATM 87 N HYP A 15 -8.364 1.949 0.182 1.00 92.06 N +HETATM 88 CA HYP A 15 -7.124 1.207 0.289 1.00 92.28 C +HETATM 89 C HYP A 15 -6.198 1.839 1.299 1.00 92.48 C +HETATM 90 O HYP A 15 -6.225 3.093 1.476 1.00 93.14 O +HETATM 91 CB HYP A 15 -6.548 1.371 -1.151 1.00 88.98 C +HETATM 92 CG HYP A 15 -7.732 1.622 -2.050 1.00 87.72 C +HETATM 93 CD HYP A 15 -8.656 2.439 -1.184 1.00 90.92 C +HETATM 94 OD1 HYP A 15 -8.346 0.404 -2.393 1.00 88.91 O +ATOM 95 N GLY A 16 -5.433 1.020 1.968 1.00 92.71 N +ATOM 96 CA GLY A 16 -4.435 1.531 2.871 1.00 92.05 C +ATOM 97 C GLY A 16 -3.305 2.195 2.114 1.00 92.83 C +ATOM 98 O GLY A 16 -3.241 2.144 0.887 1.00 92.32 O +ATOM 99 N PRO A 17 -2.402 2.831 2.863 1.00 90.30 N +ATOM 100 CA PRO A 17 -1.279 3.494 2.218 1.00 90.38 C +ATOM 101 C PRO A 17 -0.307 2.488 1.626 1.00 90.72 C +ATOM 102 O PRO A 17 -0.298 1.314 2.003 1.00 89.24 O +ATOM 103 CB PRO A 17 -0.639 4.279 3.359 1.00 88.96 C +ATOM 104 CG PRO A 17 -0.987 3.493 4.570 1.00 87.45 C +ATOM 105 CD PRO A 17 -2.362 2.944 4.313 1.00 88.85 C +HETATM 106 N HYP A 18 0.503 2.972 0.697 1.00 89.49 N +HETATM 107 CA HYP A 18 1.545 2.129 0.157 1.00 88.58 C +HETATM 108 C HYP A 18 2.454 1.640 1.248 1.00 89.55 C +HETATM 109 O HYP A 18 2.706 2.367 2.243 1.00 90.33 O +HETATM 110 CB HYP A 18 2.312 3.105 -0.767 1.00 85.65 C +HETATM 111 CG HYP A 18 1.309 4.142 -1.172 1.00 85.41 C +HETATM 112 CD HYP A 18 0.469 4.300 0.092 1.00 89.18 C +HETATM 113 OD1 HYP A 18 0.489 3.644 -2.225 1.00 87.66 O +ATOM 114 N GLY A 19 2.910 0.415 1.120 1.00 87.10 N +ATOM 115 CA GLY A 19 3.845 -0.136 2.064 1.00 87.09 C +ATOM 116 C GLY A 19 5.183 0.557 1.972 1.00 87.71 C +ATOM 117 O GLY A 19 5.451 1.313 1.040 1.00 87.92 O +ATOM 118 N PRO A 20 6.043 0.305 2.950 1.00 81.31 N +ATOM 119 CA PRO A 20 7.364 0.916 2.938 1.00 81.95 C +ATOM 120 C PRO A 20 8.237 0.310 1.850 1.00 82.01 C +ATOM 121 O PRO A 20 7.948 -0.760 1.327 1.00 83.72 O +ATOM 122 CB PRO A 20 7.903 0.591 4.329 1.00 80.38 C +ATOM 123 CG PRO A 20 7.221 -0.682 4.678 1.00 76.47 C +ATOM 124 CD PRO A 20 5.842 -0.575 4.089 1.00 75.98 C +HETATM 125 N HYP A 21 9.297 1.035 1.514 1.00 86.06 N +HETATM 126 CA HYP A 21 10.260 0.498 0.575 1.00 85.78 C +HETATM 127 C HYP A 21 10.827 -0.840 1.010 1.00 88.56 C +HETATM 128 O HYP A 21 10.934 -1.075 2.217 1.00 89.98 O +HETATM 129 CB HYP A 21 11.339 1.586 0.549 1.00 84.62 C +HETATM 130 CG HYP A 21 10.616 2.865 0.890 1.00 79.47 C +HETATM 131 CD HYP A 21 9.603 2.417 1.932 1.00 85.06 C +HETATM 132 OD1 HYP A 21 9.903 3.346 -0.247 1.00 82.40 O +ATOM 133 N GLY A 22 11.051 -1.735 0.092 1.00 82.91 N +ATOM 134 CA GLY A 22 11.612 -3.018 0.402 1.00 80.46 C +ATOM 135 C GLY A 22 13.067 -2.894 0.839 1.00 80.54 C +ATOM 136 O GLY A 22 13.581 -1.792 1.019 1.00 80.94 O +ATOM 137 N PRO A 23 13.761 -4.027 0.999 1.00 84.81 N +ATOM 138 CA PRO A 23 15.168 -3.990 1.399 1.00 85.16 C +ATOM 139 C PRO A 23 15.984 -3.178 0.416 1.00 84.23 C +ATOM 140 O PRO A 23 15.680 -3.140 -0.773 1.00 81.16 O +ATOM 141 CB PRO A 23 15.589 -5.458 1.366 1.00 81.15 C +ATOM 142 CG PRO A 23 14.328 -6.217 1.434 1.00 77.96 C +ATOM 143 CD PRO A 23 13.287 -5.379 0.777 1.00 79.74 C +HETATM 144 N HYP A 24 16.983 -2.568 0.821 1.00 90.37 N +HETATM 145 CA HYP A 24 17.733 -1.725 -0.109 1.00 83.62 C +HETATM 146 C HYP A 24 17.622 -2.141 -1.533 1.00 88.69 C +HETATM 147 O HYP A 24 18.508 -1.931 -2.362 1.00 82.73 O +HETATM 148 CB HYP A 24 19.066 -1.594 0.511 1.00 85.04 C +HETATM 149 CG HYP A 24 18.941 -2.057 1.967 1.00 84.17 C +HETATM 150 CD HYP A 24 17.654 -2.848 2.039 1.00 88.21 C +HETATM 151 OD1 HYP A 24 18.793 -0.941 2.840 1.00 85.02 O +HETATM 152 OXT HYP A 24 16.631 -2.689 -1.928 1.00 82.79 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_146.txt b/protein_pdb_146.txt new file mode 100644 index 0000000000000000000000000000000000000000..9d739b8566fff32f19059d5ac1e140c39468f857 --- /dev/null +++ b/protein_pdb_146.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 3.371 -15.818 -5.627 1.00 90.64 N +ATOM 2 CA GLY A 1 2.750 -14.857 -6.474 1.00 91.31 C +ATOM 3 C GLY A 1 3.456 -13.517 -6.504 1.00 92.00 C +ATOM 4 O GLY A 1 4.430 -13.303 -5.786 1.00 89.87 O +ATOM 5 N PRO A 2 2.963 -12.630 -7.308 1.00 90.94 N +ATOM 6 CA PRO A 2 3.556 -11.314 -7.443 1.00 91.45 C +ATOM 7 C PRO A 2 3.246 -10.417 -6.260 1.00 91.53 C +ATOM 8 O PRO A 2 2.403 -10.735 -5.428 1.00 89.31 O +ATOM 9 CB PRO A 2 2.908 -10.787 -8.726 1.00 88.44 C +ATOM 10 CG PRO A 2 1.578 -11.452 -8.741 1.00 85.38 C +ATOM 11 CD PRO A 2 1.800 -12.816 -8.158 1.00 87.90 C +HETATM 12 N HYP A 3 3.943 -9.304 -6.229 1.00 91.15 N +HETATM 13 CA HYP A 3 3.687 -8.326 -5.164 1.00 90.08 C +HETATM 14 C HYP A 3 2.252 -7.841 -5.190 1.00 91.18 C +HETATM 15 O HYP A 3 1.620 -7.808 -6.267 1.00 93.35 O +HETATM 16 CB HYP A 3 4.672 -7.181 -5.553 1.00 89.03 C +HETATM 17 CG HYP A 3 5.772 -7.881 -6.295 1.00 86.93 C +HETATM 18 CD HYP A 3 5.029 -8.964 -7.088 1.00 90.21 C +HETATM 19 OD1 HYP A 3 6.642 -8.478 -5.390 1.00 88.49 O +ATOM 20 N GLY A 4 1.727 -7.563 -4.036 1.00 93.21 N +ATOM 21 CA GLY A 4 0.390 -7.045 -3.923 1.00 92.67 C +ATOM 22 C GLY A 4 0.289 -5.635 -4.473 1.00 93.50 C +ATOM 23 O GLY A 4 1.283 -5.023 -4.857 1.00 93.30 O +ATOM 24 N PRO A 5 -0.924 -5.105 -4.519 1.00 92.14 N +ATOM 25 CA PRO A 5 -1.132 -3.755 -5.027 1.00 91.99 C +ATOM 26 C PRO A 5 -0.565 -2.711 -4.076 1.00 91.90 C +ATOM 27 O PRO A 5 -0.346 -2.976 -2.903 1.00 90.65 O +ATOM 28 CB PRO A 5 -2.650 -3.645 -5.129 1.00 90.03 C +ATOM 29 CG PRO A 5 -3.149 -4.580 -4.089 1.00 88.76 C +ATOM 30 CD PRO A 5 -2.169 -5.718 -4.066 1.00 91.35 C +HETATM 31 N HYP A 6 -0.314 -1.524 -4.621 1.00 92.26 N +HETATM 32 CA HYP A 6 0.118 -0.405 -3.800 1.00 93.35 C +HETATM 33 C HYP A 6 -0.864 -0.081 -2.717 1.00 93.15 C +HETATM 34 O HYP A 6 -2.089 -0.326 -2.876 1.00 93.24 O +HETATM 35 CB HYP A 6 0.176 0.734 -4.859 1.00 89.24 C +HETATM 36 CG HYP A 6 0.473 0.015 -6.151 1.00 88.89 C +HETATM 37 CD HYP A 6 -0.371 -1.243 -6.034 1.00 91.38 C +HETATM 38 OD1 HYP A 6 1.843 -0.320 -6.197 1.00 88.94 O +ATOM 39 N GLY A 7 -0.372 0.347 -1.608 1.00 93.13 N +ATOM 40 CA GLY A 7 -1.207 0.753 -0.513 1.00 92.45 C +ATOM 41 C GLY A 7 -2.050 1.959 -0.870 1.00 93.04 C +ATOM 42 O GLY A 7 -1.899 2.555 -1.929 1.00 92.71 O +ATOM 43 N PRO A 8 -2.965 2.318 0.022 1.00 92.60 N +ATOM 44 CA PRO A 8 -3.842 3.454 -0.246 1.00 92.55 C +ATOM 45 C PRO A 8 -3.084 4.769 -0.192 1.00 92.92 C +ATOM 46 O PRO A 8 -2.063 4.897 0.468 1.00 90.95 O +ATOM 47 CB PRO A 8 -4.883 3.361 0.865 1.00 89.68 C +ATOM 48 CG PRO A 8 -4.172 2.675 1.966 1.00 88.45 C +ATOM 49 CD PRO A 8 -3.231 1.704 1.313 1.00 90.77 C +HETATM 50 N HYP A 9 -3.613 5.748 -0.881 1.00 92.09 N +HETATM 51 CA HYP A 9 -3.043 7.060 -0.896 1.00 90.25 C +HETATM 52 C HYP A 9 -3.181 7.735 0.459 1.00 92.08 C +HETATM 53 O HYP A 9 -4.142 7.484 1.201 1.00 92.28 O +HETATM 54 CB HYP A 9 -3.980 7.850 -1.879 1.00 87.81 C +HETATM 55 CG HYP A 9 -4.666 6.822 -2.669 1.00 88.21 C +HETATM 56 CD HYP A 9 -4.784 5.635 -1.799 1.00 91.50 C +HETATM 57 OD1 HYP A 9 -3.831 6.486 -3.776 1.00 86.56 O +ATOM 58 N GLY A 10 -2.266 8.535 0.847 1.00 92.40 N +ATOM 59 CA GLY A 10 -2.458 9.441 1.952 1.00 90.92 C +ATOM 60 C GLY A 10 -3.412 10.548 1.547 1.00 91.67 C +ATOM 61 O GLY A 10 -3.853 10.627 0.403 1.00 90.51 O +ATOM 62 N LEU A 11 -3.731 11.422 2.493 1.00 92.72 N +ATOM 63 CA LEU A 11 -4.654 12.510 2.176 1.00 94.16 C +ATOM 64 C LEU A 11 -4.180 13.320 0.976 1.00 94.31 C +ATOM 65 O LEU A 11 -4.982 13.693 0.116 1.00 92.19 O +ATOM 66 CB LEU A 11 -4.823 13.431 3.385 1.00 93.11 C +ATOM 67 CG LEU A 11 -5.746 12.902 4.477 1.00 88.94 C +ATOM 68 CD1 LEU A 11 -5.707 13.837 5.671 1.00 86.86 C +ATOM 69 CD2 LEU A 11 -7.174 12.764 3.971 1.00 83.86 C +ATOM 70 N GLN A 12 -2.884 13.584 0.941 1.00 92.92 N +ATOM 71 CA GLN A 12 -2.255 14.278 -0.180 1.00 93.33 C +ATOM 72 C GLN A 12 -1.066 13.491 -0.708 1.00 93.49 C +ATOM 73 O GLN A 12 -0.268 14.021 -1.478 1.00 88.94 O +ATOM 74 CB GLN A 12 -1.788 15.674 0.263 1.00 90.60 C +ATOM 75 CG GLN A 12 -2.930 16.625 0.583 1.00 86.15 C +ATOM 76 CD GLN A 12 -3.582 17.190 -0.666 1.00 80.79 C +ATOM 77 OE1 GLN A 12 -2.902 17.710 -1.537 1.00 74.55 O +ATOM 78 NE2 GLN A 12 -4.882 17.078 -0.751 1.00 73.53 N +ATOM 79 N GLY A 13 -0.937 12.253 -0.295 1.00 94.77 N +ATOM 80 CA GLY A 13 0.261 11.480 -0.533 1.00 94.18 C +ATOM 81 C GLY A 13 0.117 10.401 -1.574 1.00 94.53 C +ATOM 82 O GLY A 13 -0.985 10.088 -2.032 1.00 93.98 O +ATOM 83 N PRO A 14 1.232 9.823 -1.947 1.00 94.10 N +ATOM 84 CA PRO A 14 1.248 8.756 -2.932 1.00 94.06 C +ATOM 85 C PRO A 14 0.749 7.452 -2.341 1.00 94.31 C +ATOM 86 O PRO A 14 0.633 7.300 -1.130 1.00 92.95 O +ATOM 87 CB PRO A 14 2.723 8.652 -3.316 1.00 92.22 C +ATOM 88 CG PRO A 14 3.430 9.026 -2.063 1.00 91.21 C +ATOM 89 CD PRO A 14 2.581 10.101 -1.437 1.00 92.70 C +HETATM 90 N HYP A 15 0.481 6.561 -3.213 1.00 92.77 N +HETATM 91 CA HYP A 15 0.147 5.209 -2.793 1.00 92.07 C +HETATM 92 C HYP A 15 1.251 4.592 -1.996 1.00 93.88 C +HETATM 93 O HYP A 15 2.441 4.957 -2.179 1.00 94.09 O +HETATM 94 CB HYP A 15 -0.005 4.526 -4.174 1.00 90.72 C +HETATM 95 CG HYP A 15 -0.362 5.635 -5.132 1.00 89.95 C +HETATM 96 CD HYP A 15 0.448 6.799 -4.639 1.00 92.54 C +HETATM 97 OD1 HYP A 15 -1.731 5.928 -5.037 1.00 90.35 O +ATOM 98 N GLY A 16 0.910 3.729 -1.116 1.00 94.84 N +ATOM 99 CA GLY A 16 1.902 2.989 -0.385 1.00 94.57 C +ATOM 100 C GLY A 16 2.650 2.023 -1.282 1.00 94.81 C +ATOM 101 O GLY A 16 2.325 1.870 -2.463 1.00 94.36 O +ATOM 102 N PRO A 17 3.663 1.375 -0.720 1.00 92.73 N +ATOM 103 CA PRO A 17 4.443 0.431 -1.507 1.00 92.65 C +ATOM 104 C PRO A 17 3.631 -0.813 -1.850 1.00 93.22 C +ATOM 105 O PRO A 17 2.615 -1.094 -1.221 1.00 91.63 O +ATOM 106 CB PRO A 17 5.621 0.101 -0.592 1.00 90.72 C +ATOM 107 CG PRO A 17 5.104 0.342 0.768 1.00 89.31 C +ATOM 108 CD PRO A 17 4.129 1.468 0.652 1.00 91.35 C +HETATM 109 N HYP A 18 4.110 -1.532 -2.854 1.00 88.07 N +HETATM 110 CA HYP A 18 3.486 -2.791 -3.184 1.00 88.95 C +HETATM 111 C HYP A 18 3.489 -3.743 -2.036 1.00 90.86 C +HETATM 112 O HYP A 18 4.412 -3.704 -1.190 1.00 91.06 O +HETATM 113 CB HYP A 18 4.415 -3.296 -4.324 1.00 87.66 C +HETATM 114 CG HYP A 18 4.958 -2.044 -4.948 1.00 86.09 C +HETATM 115 CD HYP A 18 5.177 -1.146 -3.757 1.00 90.32 C +HETATM 116 OD1 HYP A 18 3.981 -1.480 -5.803 1.00 88.38 O +ATOM 117 N GLY A 19 2.481 -4.522 -1.944 1.00 87.53 N +ATOM 118 CA GLY A 19 2.401 -5.532 -0.923 1.00 86.98 C +ATOM 119 C GLY A 19 3.451 -6.603 -1.113 1.00 87.20 C +ATOM 120 O GLY A 19 4.165 -6.627 -2.113 1.00 87.45 O +ATOM 121 N PRO A 20 3.551 -7.503 -0.141 1.00 87.13 N +ATOM 122 CA PRO A 20 4.523 -8.579 -0.239 1.00 87.36 C +ATOM 123 C PRO A 20 4.143 -9.567 -1.326 1.00 87.21 C +ATOM 124 O PRO A 20 2.998 -9.604 -1.774 1.00 86.98 O +ATOM 125 CB PRO A 20 4.463 -9.224 1.143 1.00 84.85 C +ATOM 126 CG PRO A 20 3.078 -8.946 1.606 1.00 82.30 C +ATOM 127 CD PRO A 20 2.729 -7.596 1.049 1.00 84.85 C +HETATM 128 N HYP A 21 5.131 -10.343 -1.743 1.00 88.35 N +HETATM 129 CA HYP A 21 4.858 -11.390 -2.691 1.00 88.06 C +HETATM 130 C HYP A 21 3.770 -12.337 -2.227 1.00 88.07 C +HETATM 131 O HYP A 21 3.672 -12.601 -1.025 1.00 91.13 O +HETATM 132 CB HYP A 21 6.186 -12.096 -2.865 1.00 87.32 C +HETATM 133 CG HYP A 21 7.204 -11.058 -2.523 1.00 83.61 C +HETATM 134 CD HYP A 21 6.558 -10.276 -1.408 1.00 88.70 C +HETATM 135 OD1 HYP A 21 7.404 -10.200 -3.641 1.00 85.05 O +ATOM 136 N GLY A 22 2.930 -12.736 -3.117 1.00 87.80 N +ATOM 137 CA GLY A 22 1.902 -13.681 -2.806 1.00 85.39 C +ATOM 138 C GLY A 22 2.497 -15.033 -2.467 1.00 85.22 C +ATOM 139 O GLY A 22 3.699 -15.253 -2.608 1.00 85.11 O +ATOM 140 N PRO A 23 1.657 -15.978 -2.034 1.00 90.51 N +ATOM 141 CA PRO A 23 2.147 -17.310 -1.716 1.00 90.39 C +ATOM 142 C PRO A 23 2.521 -18.043 -2.994 1.00 89.42 C +ATOM 143 O PRO A 23 1.650 -18.411 -3.776 1.00 86.22 O +ATOM 144 CB PRO A 23 0.973 -17.961 -0.996 1.00 87.00 C +ATOM 145 CG PRO A 23 -0.222 -17.228 -1.493 1.00 83.86 C +ATOM 146 CD PRO A 23 0.234 -15.836 -1.823 1.00 87.58 C +HETATM 147 N HYP A 24 3.704 -18.113 -3.343 1.00 92.96 N +HETATM 148 CA HYP A 24 4.277 -18.275 -4.728 1.00 88.73 C +HETATM 149 C HYP A 24 4.060 -17.395 -5.730 1.00 92.79 C +HETATM 150 O HYP A 24 3.395 -17.769 -6.818 1.00 92.32 O +HETATM 151 CB HYP A 24 5.519 -19.076 -4.471 1.00 87.70 C +HETATM 152 CG HYP A 24 5.175 -19.886 -3.198 1.00 87.48 C +HETATM 153 CD HYP A 24 4.092 -19.063 -2.461 1.00 90.94 C +HETATM 154 OD1 HYP A 24 6.299 -20.020 -2.350 1.00 88.63 O +HETATM 155 OXT HYP A 24 5.138 -16.573 -6.116 1.00 87.45 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_147.txt b/protein_pdb_147.txt new file mode 100644 index 0000000000000000000000000000000000000000..05b7dec06a244dd81cbc5d59a49c9b157a579d7f --- /dev/null +++ b/protein_pdb_147.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 14.653 -1.632 -1.546 1.00 90.04 N +ATOM 2 CA GLY A 1 13.634 -1.181 -2.423 1.00 90.81 C +ATOM 3 C GLY A 1 12.716 -0.151 -1.807 1.00 91.30 C +ATOM 4 O GLY A 1 12.713 0.048 -0.595 1.00 89.32 O +ATOM 5 N PRO A 2 11.956 0.488 -2.616 1.00 92.94 N +ATOM 6 CA PRO A 2 11.038 1.507 -2.142 1.00 93.45 C +ATOM 7 C PRO A 2 9.817 0.889 -1.486 1.00 93.33 C +ATOM 8 O PRO A 2 9.586 -0.314 -1.581 1.00 91.31 O +ATOM 9 CB PRO A 2 10.669 2.252 -3.422 1.00 90.67 C +ATOM 10 CG PRO A 2 10.737 1.186 -4.460 1.00 87.46 C +ATOM 11 CD PRO A 2 11.914 0.339 -4.063 1.00 90.86 C +HETATM 12 N HYP A 3 9.061 1.760 -0.813 1.00 93.65 N +HETATM 13 CA HYP A 3 7.837 1.257 -0.232 1.00 93.88 C +HETATM 14 C HYP A 3 6.915 0.704 -1.283 1.00 95.08 C +HETATM 15 O HYP A 3 6.884 1.212 -2.421 1.00 94.58 O +HETATM 16 CB HYP A 3 7.204 2.579 0.379 1.00 91.64 C +HETATM 17 CG HYP A 3 8.382 3.475 0.665 1.00 88.71 C +HETATM 18 CD HYP A 3 9.337 3.154 -0.529 1.00 91.28 C +HETATM 19 OD1 HYP A 3 8.980 3.042 1.853 1.00 90.81 O +ATOM 20 N GLY A 4 6.235 -0.357 -0.914 1.00 94.41 N +ATOM 21 CA GLY A 4 5.273 -0.937 -1.806 1.00 94.27 C +ATOM 22 C GLY A 4 4.093 -0.010 -2.001 1.00 95.20 C +ATOM 23 O GLY A 4 3.932 0.978 -1.285 1.00 95.13 O +ATOM 24 N PRO A 5 3.246 -0.314 -2.977 1.00 94.44 N +ATOM 25 CA PRO A 5 2.088 0.529 -3.239 1.00 94.69 C +ATOM 26 C PRO A 5 1.044 0.390 -2.143 1.00 94.40 C +ATOM 27 O PRO A 5 1.061 -0.556 -1.365 1.00 93.43 O +ATOM 28 CB PRO A 5 1.568 -0.000 -4.573 1.00 93.29 C +ATOM 29 CG PRO A 5 1.972 -1.437 -4.553 1.00 91.75 C +ATOM 30 CD PRO A 5 3.312 -1.452 -3.885 1.00 93.84 C +HETATM 31 N HYP A 6 0.143 1.388 -2.093 1.00 93.86 N +HETATM 32 CA HYP A 6 -0.949 1.285 -1.159 1.00 95.65 C +HETATM 33 C HYP A 6 -1.744 0.035 -1.373 1.00 95.35 C +HETATM 34 O HYP A 6 -1.864 -0.430 -2.529 1.00 95.25 O +HETATM 35 CB HYP A 6 -1.785 2.556 -1.477 1.00 92.04 C +HETATM 36 CG HYP A 6 -0.797 3.524 -2.049 1.00 90.96 C +HETATM 37 CD HYP A 6 0.110 2.624 -2.855 1.00 91.96 C +HETATM 38 OD1 HYP A 6 -0.067 4.117 -0.998 1.00 91.63 O +ATOM 39 N GLY A 7 -2.212 -0.553 -0.322 1.00 95.43 N +ATOM 40 CA GLY A 7 -3.031 -1.720 -0.420 1.00 95.35 C +ATOM 41 C GLY A 7 -4.311 -1.411 -1.164 1.00 95.94 C +ATOM 42 O GLY A 7 -4.674 -0.256 -1.364 1.00 95.69 O +ATOM 43 N PRO A 8 -5.003 -2.445 -1.582 1.00 95.40 N +ATOM 44 CA PRO A 8 -6.243 -2.230 -2.315 1.00 95.35 C +ATOM 45 C PRO A 8 -7.335 -1.686 -1.411 1.00 95.52 C +ATOM 46 O PRO A 8 -7.306 -1.868 -0.201 1.00 94.23 O +ATOM 47 CB PRO A 8 -6.589 -3.619 -2.841 1.00 94.01 C +ATOM 48 CG PRO A 8 -5.985 -4.530 -1.834 1.00 92.69 C +ATOM 49 CD PRO A 8 -4.703 -3.858 -1.418 1.00 94.77 C +HETATM 50 N HYP A 9 -8.285 -1.023 -2.015 1.00 94.39 N +HETATM 51 CA HYP A 9 -9.401 -0.533 -1.289 1.00 93.85 C +HETATM 52 C HYP A 9 -10.190 -1.664 -0.703 1.00 95.18 C +HETATM 53 O HYP A 9 -10.363 -2.685 -1.368 1.00 94.81 O +HETATM 54 CB HYP A 9 -10.237 0.215 -2.356 1.00 91.30 C +HETATM 55 CG HYP A 9 -9.290 0.529 -3.460 1.00 90.36 C +HETATM 56 CD HYP A 9 -8.342 -0.608 -3.434 1.00 93.02 C +HETATM 57 OD1 HYP A 9 -8.559 1.706 -3.146 1.00 91.40 O +ATOM 58 N GLY A 10 -10.640 -1.596 0.509 1.00 94.60 N +ATOM 59 CA GLY A 10 -11.539 -2.558 1.077 1.00 94.09 C +ATOM 60 C GLY A 10 -12.911 -2.390 0.453 1.00 94.94 C +ATOM 61 O GLY A 10 -13.135 -1.471 -0.338 1.00 94.29 O +ATOM 62 N PRO A 11 -13.858 -3.243 0.812 1.00 93.37 N +ATOM 63 CA PRO A 11 -15.195 -3.100 0.241 1.00 93.56 C +ATOM 64 C PRO A 11 -15.773 -1.709 0.420 1.00 94.28 C +ATOM 65 O PRO A 11 -16.419 -1.178 -0.484 1.00 91.52 O +ATOM 66 CB PRO A 11 -16.003 -4.151 0.995 1.00 91.81 C +ATOM 67 CG PRO A 11 -14.986 -5.192 1.342 1.00 90.73 C +ATOM 68 CD PRO A 11 -13.738 -4.413 1.666 1.00 92.51 C +ATOM 69 N HIS A 12 -15.525 -1.128 1.575 1.00 92.58 N +ATOM 70 CA HIS A 12 -16.002 0.220 1.870 1.00 93.83 C +ATOM 71 C HIS A 12 -14.973 1.015 2.655 1.00 93.19 C +ATOM 72 O HIS A 12 -15.283 2.072 3.204 1.00 89.88 O +ATOM 73 CB HIS A 12 -17.306 0.148 2.670 1.00 92.51 C +ATOM 74 CG HIS A 12 -18.379 -0.628 1.972 1.00 90.06 C +ATOM 75 ND1 HIS A 12 -19.067 -0.137 0.894 1.00 86.09 N +ATOM 76 CD2 HIS A 12 -18.847 -1.879 2.186 1.00 83.24 C +ATOM 77 CE1 HIS A 12 -19.919 -1.066 0.469 1.00 84.70 C +ATOM 78 NE2 HIS A 12 -19.805 -2.125 1.239 1.00 85.23 N +ATOM 79 N GLY A 13 -13.769 0.511 2.726 1.00 94.21 N +ATOM 80 CA GLY A 13 -12.742 1.122 3.525 1.00 93.51 C +ATOM 81 C GLY A 13 -11.676 1.804 2.699 1.00 94.23 C +ATOM 82 O GLY A 13 -11.648 1.693 1.475 1.00 93.86 O +ATOM 83 N PRO A 14 -10.780 2.511 3.373 1.00 95.10 N +ATOM 84 CA PRO A 14 -9.707 3.213 2.690 1.00 95.06 C +ATOM 85 C PRO A 14 -8.662 2.243 2.161 1.00 95.01 C +ATOM 86 O PRO A 14 -8.628 1.077 2.549 1.00 93.70 O +ATOM 87 CB PRO A 14 -9.133 4.124 3.768 1.00 93.67 C +ATOM 88 CG PRO A 14 -9.368 3.356 5.022 1.00 91.93 C +ATOM 89 CD PRO A 14 -10.704 2.684 4.823 1.00 93.44 C +HETATM 90 N HYP A 15 -7.837 2.781 1.299 1.00 94.07 N +HETATM 91 CA HYP A 15 -6.726 1.977 0.821 1.00 94.27 C +HETATM 92 C HYP A 15 -5.861 1.560 1.951 1.00 95.48 C +HETATM 93 O HYP A 15 -5.762 2.281 2.975 1.00 94.63 O +HETATM 94 CB HYP A 15 -6.041 3.000 -0.139 1.00 91.68 C +HETATM 95 CG HYP A 15 -7.138 3.965 -0.561 1.00 90.04 C +HETATM 96 CD HYP A 15 -7.960 4.111 0.688 1.00 92.93 C +HETATM 97 OD1 HYP A 15 -7.922 3.387 -1.574 1.00 91.08 O +ATOM 98 N GLY A 16 -5.247 0.395 1.829 1.00 94.54 N +ATOM 99 CA GLY A 16 -4.324 -0.065 2.819 1.00 94.37 C +ATOM 100 C GLY A 16 -3.088 0.807 2.844 1.00 95.21 C +ATOM 101 O GLY A 16 -2.858 1.613 1.936 1.00 94.88 O +ATOM 102 N PRO A 17 -2.276 0.654 3.878 1.00 92.93 N +ATOM 103 CA PRO A 17 -1.054 1.438 3.975 1.00 93.05 C +ATOM 104 C PRO A 17 -0.035 0.995 2.941 1.00 93.42 C +ATOM 105 O PRO A 17 -0.143 -0.093 2.372 1.00 92.27 O +ATOM 106 CB PRO A 17 -0.572 1.171 5.396 1.00 91.52 C +ATOM 107 CG PRO A 17 -1.091 -0.199 5.678 1.00 89.49 C +ATOM 108 CD PRO A 17 -2.437 -0.252 5.008 1.00 91.46 C +HETATM 109 N HYP A 18 0.938 1.878 2.708 1.00 90.57 N +HETATM 110 CA HYP A 18 2.008 1.482 1.836 1.00 91.85 C +HETATM 111 C HYP A 18 2.661 0.233 2.309 1.00 92.26 C +HETATM 112 O HYP A 18 2.758 -0.014 3.523 1.00 93.93 O +HETATM 113 CB HYP A 18 2.941 2.703 1.889 1.00 89.30 C +HETATM 114 CG HYP A 18 2.055 3.863 2.234 1.00 88.68 C +HETATM 115 CD HYP A 18 1.066 3.235 3.194 1.00 91.90 C +HETATM 116 OD1 HYP A 18 1.364 4.316 1.075 1.00 89.41 O +ATOM 117 N GLY A 19 3.081 -0.597 1.377 1.00 92.23 N +ATOM 118 CA GLY A 19 3.792 -1.802 1.710 1.00 92.28 C +ATOM 119 C GLY A 19 5.140 -1.476 2.317 1.00 93.20 C +ATOM 120 O GLY A 19 5.614 -0.343 2.234 1.00 93.77 O +ATOM 121 N PRO A 20 5.767 -2.455 2.932 1.00 90.93 N +ATOM 122 CA PRO A 20 7.072 -2.220 3.526 1.00 91.06 C +ATOM 123 C PRO A 20 8.138 -2.035 2.463 1.00 90.91 C +ATOM 124 O PRO A 20 7.953 -2.413 1.309 1.00 90.11 O +ATOM 125 CB PRO A 20 7.308 -3.488 4.350 1.00 88.70 C +ATOM 126 CG PRO A 20 6.550 -4.525 3.606 1.00 87.04 C +ATOM 127 CD PRO A 20 5.317 -3.827 3.106 1.00 90.40 C +HETATM 128 N HYP A 21 9.252 -1.424 2.876 1.00 91.75 N +HETATM 129 CA HYP A 21 10.351 -1.305 1.970 1.00 92.66 C +HETATM 130 C HYP A 21 10.825 -2.626 1.430 1.00 92.07 C +HETATM 131 O HYP A 21 10.797 -3.618 2.166 1.00 94.14 O +HETATM 132 CB HYP A 21 11.439 -0.606 2.801 1.00 89.63 C +HETATM 133 CG HYP A 21 10.680 0.146 3.865 1.00 87.88 C +HETATM 134 CD HYP A 21 9.523 -0.774 4.152 1.00 91.05 C +HETATM 135 OD1 HYP A 21 10.179 1.358 3.310 1.00 88.70 O +ATOM 136 N GLY A 22 11.171 -2.679 0.184 1.00 90.90 N +ATOM 137 CA GLY A 22 11.694 -3.875 -0.407 1.00 89.99 C +ATOM 138 C GLY A 22 13.081 -4.166 0.140 1.00 90.02 C +ATOM 139 O GLY A 22 13.649 -3.360 0.878 1.00 90.15 O +ATOM 140 N PRO A 23 13.675 -5.295 -0.218 1.00 91.91 N +ATOM 141 CA PRO A 23 15.013 -5.621 0.254 1.00 90.89 C +ATOM 142 C PRO A 23 16.033 -4.732 -0.439 1.00 89.22 C +ATOM 143 O PRO A 23 16.388 -4.962 -1.589 1.00 85.36 O +ATOM 144 CB PRO A 23 15.168 -7.090 -0.124 1.00 87.84 C +ATOM 145 CG PRO A 23 14.286 -7.254 -1.307 1.00 86.31 C +ATOM 146 CD PRO A 23 13.118 -6.328 -1.066 1.00 89.47 C +HETATM 147 N HYP A 24 16.414 -3.650 0.110 1.00 94.16 N +HETATM 148 CA HYP A 24 17.027 -2.466 -0.656 1.00 89.63 C +HETATM 149 C HYP A 24 16.140 -1.643 -1.389 1.00 94.49 C +HETATM 150 O HYP A 24 16.493 -1.439 -2.655 1.00 93.04 O +HETATM 151 CB HYP A 24 17.813 -1.727 0.431 1.00 87.47 C +HETATM 152 CG HYP A 24 17.988 -2.708 1.630 1.00 86.82 C +HETATM 153 CD HYP A 24 17.017 -3.856 1.348 1.00 91.59 C +HETATM 154 OD1 HYP A 24 19.289 -3.226 1.630 1.00 88.93 O +HETATM 155 OXT HYP A 24 15.826 -0.324 -0.933 1.00 88.28 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_148.txt b/protein_pdb_148.txt new file mode 100644 index 0000000000000000000000000000000000000000..5f91f1685b686b6c0ead67268d2c3af055a72787 --- /dev/null +++ b/protein_pdb_148.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 12.595 1.517 -8.916 1.00 77.84 N +ATOM 2 CA GLY A 1 12.083 2.756 -8.346 1.00 79.41 C +ATOM 3 C GLY A 1 11.642 2.553 -6.919 1.00 81.10 C +ATOM 4 O GLY A 1 11.712 1.437 -6.391 1.00 76.72 O +ATOM 5 N PRO A 2 11.163 3.598 -6.281 1.00 79.74 N +ATOM 6 CA PRO A 2 10.726 3.490 -4.897 1.00 81.55 C +ATOM 7 C PRO A 2 9.444 2.681 -4.770 1.00 81.73 C +ATOM 8 O PRO A 2 8.710 2.501 -5.731 1.00 79.17 O +ATOM 9 CB PRO A 2 10.502 4.944 -4.481 1.00 78.07 C +ATOM 10 CG PRO A 2 10.185 5.640 -5.755 1.00 73.70 C +ATOM 11 CD PRO A 2 10.988 4.952 -6.815 1.00 74.67 C +HETATM 12 N HYP A 3 9.234 2.195 -3.620 1.00 82.85 N +HETATM 13 CA HYP A 3 7.958 1.515 -3.318 1.00 82.38 C +HETATM 14 C HYP A 3 6.787 2.391 -3.596 1.00 83.78 C +HETATM 15 O HYP A 3 6.878 3.638 -3.452 1.00 88.89 O +HETATM 16 CB HYP A 3 8.099 1.185 -1.812 1.00 84.81 C +HETATM 17 CG HYP A 3 9.586 1.048 -1.596 1.00 78.16 C +HETATM 18 CD HYP A 3 10.142 2.171 -2.493 1.00 83.15 C +HETATM 19 OD1 HYP A 3 10.003 -0.196 -2.091 1.00 85.70 O +ATOM 20 N GLY A 4 5.733 1.779 -4.050 1.00 87.71 N +ATOM 21 CA GLY A 4 4.512 2.509 -4.261 1.00 86.57 C +ATOM 22 C GLY A 4 3.933 3.004 -2.949 1.00 86.90 C +ATOM 23 O GLY A 4 4.380 2.629 -1.869 1.00 85.92 O +ATOM 24 N PRO A 5 2.928 3.863 -3.040 1.00 87.44 N +ATOM 25 CA PRO A 5 2.304 4.393 -1.830 1.00 85.89 C +ATOM 26 C PRO A 5 1.506 3.325 -1.103 1.00 85.80 C +ATOM 27 O PRO A 5 1.140 2.304 -1.677 1.00 83.95 O +ATOM 28 CB PRO A 5 1.406 5.508 -2.357 1.00 83.71 C +ATOM 29 CG PRO A 5 1.086 5.092 -3.750 1.00 81.94 C +ATOM 30 CD PRO A 5 2.299 4.372 -4.260 1.00 83.33 C +HETATM 31 N HYP A 6 1.246 3.566 0.154 1.00 88.16 N +HETATM 32 CA HYP A 6 0.388 2.685 0.944 1.00 90.95 C +HETATM 33 C HYP A 6 -0.971 2.567 0.342 1.00 89.85 C +HETATM 34 O HYP A 6 -1.504 3.543 -0.230 1.00 89.84 O +HETATM 35 CB HYP A 6 0.336 3.388 2.313 1.00 88.04 C +HETATM 36 CG HYP A 6 1.622 4.176 2.361 1.00 84.72 C +HETATM 37 CD HYP A 6 1.777 4.655 0.943 1.00 87.69 C +HETATM 38 OD1 HYP A 6 2.694 3.312 2.697 1.00 87.10 O +ATOM 39 N GLY A 7 -1.521 1.375 0.408 1.00 89.53 N +ATOM 40 CA GLY A 7 -2.869 1.171 -0.047 1.00 87.15 C +ATOM 41 C GLY A 7 -3.866 1.930 0.810 1.00 87.84 C +ATOM 42 O GLY A 7 -3.528 2.448 1.873 1.00 87.12 O +ATOM 43 N PRO A 8 -5.093 2.000 0.353 1.00 87.00 N +ATOM 44 CA PRO A 8 -6.117 2.693 1.123 1.00 85.95 C +ATOM 45 C PRO A 8 -6.517 1.898 2.357 1.00 85.62 C +ATOM 46 O PRO A 8 -6.312 0.692 2.433 1.00 82.20 O +ATOM 47 CB PRO A 8 -7.275 2.816 0.142 1.00 82.84 C +ATOM 48 CG PRO A 8 -7.102 1.650 -0.759 1.00 81.82 C +ATOM 49 CD PRO A 8 -5.613 1.442 -0.888 1.00 83.30 C +HETATM 50 N HYP A 9 -7.120 2.576 3.329 1.00 83.39 N +HETATM 51 CA HYP A 9 -7.595 1.932 4.495 1.00 88.15 C +HETATM 52 C HYP A 9 -8.751 0.996 4.194 1.00 83.48 C +HETATM 53 O HYP A 9 -9.517 1.230 3.241 1.00 86.62 O +HETATM 54 CB HYP A 9 -8.162 3.131 5.346 1.00 80.72 C +HETATM 55 CG HYP A 9 -7.394 4.312 4.896 1.00 78.75 C +HETATM 56 CD HYP A 9 -7.203 4.053 3.435 1.00 84.61 C +HETATM 57 OD1 HYP A 9 -6.142 4.322 5.537 1.00 81.71 O +ATOM 58 N GLY A 10 -8.840 -0.088 4.876 1.00 84.50 N +ATOM 59 CA GLY A 10 -10.059 -0.872 4.852 1.00 80.59 C +ATOM 60 C GLY A 10 -11.192 -0.048 5.434 1.00 80.34 C +ATOM 61 O GLY A 10 -11.018 1.112 5.794 1.00 77.00 O +ATOM 62 N LYS A 11 -12.366 -0.665 5.544 1.00 83.27 N +ATOM 63 CA LYS A 11 -13.503 0.134 5.988 1.00 85.22 C +ATOM 64 C LYS A 11 -13.253 0.816 7.334 1.00 83.88 C +ATOM 65 O LYS A 11 -13.697 1.950 7.538 1.00 80.28 O +ATOM 66 CB LYS A 11 -14.790 -0.703 6.006 1.00 80.31 C +ATOM 67 CG LYS A 11 -14.874 -1.762 7.076 1.00 76.16 C +ATOM 68 CD LYS A 11 -16.237 -2.457 7.063 1.00 72.66 C +ATOM 69 CE LYS A 11 -16.315 -3.596 8.070 1.00 68.90 C +ATOM 70 NZ LYS A 11 -16.289 -3.118 9.473 1.00 63.54 N +ATOM 71 N ASP A 12 -12.524 0.166 8.217 1.00 78.12 N +ATOM 72 CA ASP A 12 -12.081 0.755 9.478 1.00 81.58 C +ATOM 73 C ASP A 12 -10.651 0.332 9.801 1.00 81.32 C +ATOM 74 O ASP A 12 -10.271 0.259 10.966 1.00 74.79 O +ATOM 75 CB ASP A 12 -13.017 0.344 10.631 1.00 77.33 C +ATOM 76 CG ASP A 12 -14.412 0.929 10.492 1.00 72.43 C +ATOM 77 OD1 ASP A 12 -15.354 0.149 10.270 1.00 70.86 O +ATOM 78 OD2 ASP A 12 -14.552 2.163 10.621 1.00 67.95 O +ATOM 79 N GLY A 13 -9.869 0.045 8.779 1.00 85.87 N +ATOM 80 CA GLY A 13 -8.589 -0.609 8.976 1.00 82.81 C +ATOM 81 C GLY A 13 -7.398 0.259 8.632 1.00 82.53 C +ATOM 82 O GLY A 13 -7.540 1.391 8.174 1.00 82.22 O +ATOM 83 N PRO A 14 -6.214 -0.272 8.876 1.00 87.40 N +ATOM 84 CA PRO A 14 -4.988 0.448 8.563 1.00 86.16 C +ATOM 85 C PRO A 14 -4.768 0.529 7.068 1.00 86.11 C +ATOM 86 O PRO A 14 -5.389 -0.184 6.289 1.00 81.93 O +ATOM 87 CB PRO A 14 -3.908 -0.402 9.232 1.00 82.71 C +ATOM 88 CG PRO A 14 -4.457 -1.785 9.188 1.00 81.57 C +ATOM 89 CD PRO A 14 -5.945 -1.621 9.379 1.00 82.60 C +HETATM 90 N HYP A 15 -3.874 1.418 6.719 1.00 86.17 N +HETATM 91 CA HYP A 15 -3.456 1.481 5.339 1.00 88.17 C +HETATM 92 C HYP A 15 -2.921 0.184 4.838 1.00 88.08 C +HETATM 93 O HYP A 15 -2.342 -0.575 5.641 1.00 87.66 O +HETATM 94 CB HYP A 15 -2.388 2.600 5.385 1.00 81.45 C +HETATM 95 CG HYP A 15 -2.779 3.443 6.581 1.00 79.70 C +HETATM 96 CD HYP A 15 -3.286 2.430 7.558 1.00 85.08 C +HETATM 97 OD1 HYP A 15 -3.800 4.339 6.228 1.00 85.14 O +ATOM 98 N GLY A 16 -3.124 -0.098 3.596 1.00 88.14 N +ATOM 99 CA GLY A 16 -2.544 -1.269 3.004 1.00 86.67 C +ATOM 100 C GLY A 16 -1.032 -1.160 2.939 1.00 88.31 C +ATOM 101 O GLY A 16 -0.455 -0.105 3.209 1.00 87.64 O +ATOM 102 N PRO A 17 -0.382 -2.272 2.576 1.00 88.23 N +ATOM 103 CA PRO A 17 1.068 -2.264 2.490 1.00 87.15 C +ATOM 104 C PRO A 17 1.551 -1.426 1.318 1.00 88.62 C +ATOM 105 O PRO A 17 0.803 -1.145 0.386 1.00 86.41 O +ATOM 106 CB PRO A 17 1.420 -3.741 2.307 1.00 84.62 C +ATOM 107 CG PRO A 17 0.212 -4.323 1.670 1.00 84.00 C +ATOM 108 CD PRO A 17 -0.961 -3.562 2.220 1.00 84.56 C +HETATM 109 N HYP A 18 2.801 -1.029 1.357 1.00 85.47 N +HETATM 110 CA HYP A 18 3.419 -0.332 0.275 1.00 89.35 C +HETATM 111 C HYP A 18 3.392 -1.126 -0.994 1.00 88.56 C +HETATM 112 O HYP A 18 3.488 -2.374 -0.951 1.00 89.18 O +HETATM 113 CB HYP A 18 4.842 -0.108 0.762 1.00 85.69 C +HETATM 114 CG HYP A 18 4.718 -0.117 2.254 1.00 83.45 C +HETATM 115 CD HYP A 18 3.667 -1.171 2.498 1.00 86.50 C +HETATM 116 OD1 HYP A 18 4.243 1.140 2.721 1.00 85.60 O +ATOM 117 N GLY A 19 3.229 -0.468 -2.104 1.00 88.63 N +ATOM 118 CA GLY A 19 3.291 -1.119 -3.381 1.00 87.68 C +ATOM 119 C GLY A 19 4.697 -1.599 -3.691 1.00 88.00 C +ATOM 120 O GLY A 19 5.656 -1.264 -3.005 1.00 86.98 O +ATOM 121 N PRO A 20 4.814 -2.395 -4.733 1.00 82.83 N +ATOM 122 CA PRO A 20 6.119 -2.897 -5.120 1.00 81.56 C +ATOM 123 C PRO A 20 6.980 -1.794 -5.709 1.00 82.01 C +ATOM 124 O PRO A 20 6.491 -0.736 -6.090 1.00 79.34 O +ATOM 125 CB PRO A 20 5.781 -3.964 -6.161 1.00 77.87 C +ATOM 126 CG PRO A 20 4.494 -3.507 -6.746 1.00 75.82 C +ATOM 127 CD PRO A 20 3.748 -2.833 -5.627 1.00 76.20 C +HETATM 128 N HYP A 21 8.272 -2.040 -5.750 1.00 83.95 N +HETATM 129 CA HYP A 21 9.184 -1.132 -6.396 1.00 86.86 C +HETATM 130 C HYP A 21 8.800 -0.787 -7.818 1.00 86.07 C +HETATM 131 O HYP A 21 8.297 -1.679 -8.516 1.00 88.30 O +HETATM 132 CB HYP A 21 10.520 -1.793 -6.312 1.00 81.31 C +HETATM 133 CG HYP A 21 10.414 -2.672 -5.075 1.00 77.89 C +HETATM 134 CD HYP A 21 8.989 -3.147 -5.116 1.00 84.53 C +HETATM 135 OD1 HYP A 21 10.547 -1.869 -3.899 1.00 84.80 O +ATOM 136 N GLY A 22 8.940 0.449 -8.212 1.00 85.20 N +ATOM 137 CA GLY A 22 8.662 0.858 -9.556 1.00 82.89 C +ATOM 138 C GLY A 22 9.654 0.273 -10.541 1.00 83.02 C +ATOM 139 O GLY A 22 10.621 -0.382 -10.154 1.00 81.72 O +ATOM 140 N PRO A 23 9.433 0.512 -11.832 1.00 84.81 N +ATOM 141 CA PRO A 23 10.339 -0.013 -12.846 1.00 84.69 C +ATOM 142 C PRO A 23 11.697 0.662 -12.762 1.00 83.72 C +ATOM 143 O PRO A 23 11.830 1.759 -12.237 1.00 79.21 O +ATOM 144 CB PRO A 23 9.629 0.296 -14.155 1.00 79.65 C +ATOM 145 CG PRO A 23 8.783 1.478 -13.842 1.00 76.36 C +ATOM 146 CD PRO A 23 8.368 1.317 -12.408 1.00 78.64 C +HETATM 147 N HYP A 24 12.672 0.084 -13.277 1.00 85.76 N +HETATM 148 CA HYP A 24 14.015 0.679 -13.244 1.00 82.93 C +HETATM 149 C HYP A 24 14.022 2.112 -13.505 1.00 81.59 C +HETATM 150 O HYP A 24 13.712 2.486 -14.659 1.00 82.05 O +HETATM 151 CB HYP A 24 14.843 -0.200 -14.122 1.00 83.07 C +HETATM 152 CG HYP A 24 14.103 -1.496 -14.274 1.00 80.62 C +HETATM 153 CD HYP A 24 12.629 -1.123 -14.097 1.00 84.56 C +HETATM 154 OD1 HYP A 24 14.432 -2.366 -13.196 1.00 79.95 O +HETATM 155 OXT HYP A 24 14.289 2.836 -12.514 1.00 78.06 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_149.txt b/protein_pdb_149.txt new file mode 100644 index 0000000000000000000000000000000000000000..7e6bdadcef548cec2afdd4967d1c6ace60e03790 --- /dev/null +++ b/protein_pdb_149.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 13.032 -6.647 -2.965 1.00 84.64 N +ATOM 2 CA GLY A 1 11.732 -7.308 -3.031 1.00 86.31 C +ATOM 3 C GLY A 1 10.714 -6.435 -3.717 1.00 87.30 C +ATOM 4 O GLY A 1 11.009 -5.299 -4.087 1.00 84.76 O +ATOM 5 N PRO A 2 9.512 -6.936 -3.868 1.00 87.34 N +ATOM 6 CA PRO A 2 8.466 -6.175 -4.536 1.00 88.45 C +ATOM 7 C PRO A 2 7.961 -5.032 -3.684 1.00 88.93 C +ATOM 8 O PRO A 2 8.204 -4.972 -2.487 1.00 87.04 O +ATOM 9 CB PRO A 2 7.367 -7.212 -4.776 1.00 85.17 C +ATOM 10 CG PRO A 2 7.569 -8.205 -3.696 1.00 81.37 C +ATOM 11 CD PRO A 2 9.048 -8.262 -3.461 1.00 81.49 C +HETATM 12 N HYP A 3 7.311 -4.163 -4.313 1.00 84.85 N +HETATM 13 CA HYP A 3 6.633 -3.040 -3.615 1.00 83.08 C +HETATM 14 C HYP A 3 5.699 -3.557 -2.555 1.00 86.48 C +HETATM 15 O HYP A 3 5.096 -4.668 -2.723 1.00 90.27 O +HETATM 16 CB HYP A 3 5.859 -2.350 -4.762 1.00 87.31 C +HETATM 17 CG HYP A 3 6.645 -2.700 -6.018 1.00 83.69 C +HETATM 18 CD HYP A 3 7.074 -4.160 -5.753 1.00 85.24 C +HETATM 19 OD1 HYP A 3 7.793 -1.894 -6.072 1.00 86.32 O +ATOM 20 N GLY A 4 5.582 -2.829 -1.495 1.00 90.11 N +ATOM 21 CA GLY A 4 4.662 -3.196 -0.455 1.00 89.87 C +ATOM 22 C GLY A 4 3.222 -3.020 -0.902 1.00 90.20 C +ATOM 23 O GLY A 4 2.946 -2.506 -1.987 1.00 90.18 O +ATOM 24 N PRO A 5 2.303 -3.447 -0.052 1.00 89.34 N +ATOM 25 CA PRO A 5 0.892 -3.322 -0.388 1.00 88.69 C +ATOM 26 C PRO A 5 0.421 -1.884 -0.300 1.00 88.70 C +ATOM 27 O PRO A 5 1.078 -1.037 0.295 1.00 87.27 O +ATOM 28 CB PRO A 5 0.215 -4.189 0.668 1.00 86.76 C +ATOM 29 CG PRO A 5 1.137 -4.110 1.836 1.00 85.31 C +ATOM 30 CD PRO A 5 2.515 -4.052 1.255 1.00 86.28 C +HETATM 31 N HYP A 6 -0.724 -1.614 -0.936 1.00 87.16 N +HETATM 32 CA HYP A 6 -1.351 -0.323 -0.804 1.00 91.45 C +HETATM 33 C HYP A 6 -1.615 0.054 0.632 1.00 87.45 C +HETATM 34 O HYP A 6 -1.867 -0.849 1.476 1.00 89.96 O +HETATM 35 CB HYP A 6 -2.673 -0.521 -1.596 1.00 84.69 C +HETATM 36 CG HYP A 6 -2.347 -1.588 -2.617 1.00 84.71 C +HETATM 37 CD HYP A 6 -1.461 -2.516 -1.817 1.00 86.67 C +HETATM 38 OD1 HYP A 6 -1.607 -1.027 -3.668 1.00 86.63 O +ATOM 39 N GLY A 7 -1.510 1.305 0.936 1.00 92.03 N +ATOM 40 CA GLY A 7 -1.776 1.783 2.259 1.00 90.95 C +ATOM 41 C GLY A 7 -3.236 1.618 2.635 1.00 91.04 C +ATOM 42 O GLY A 7 -4.066 1.204 1.822 1.00 90.76 O +ATOM 43 N PRO A 8 -3.538 1.956 3.883 1.00 91.70 N +ATOM 44 CA PRO A 8 -4.908 1.802 4.360 1.00 90.95 C +ATOM 45 C PRO A 8 -5.876 2.726 3.646 1.00 91.12 C +ATOM 46 O PRO A 8 -5.511 3.816 3.224 1.00 89.29 O +ATOM 47 CB PRO A 8 -4.830 2.173 5.843 1.00 88.42 C +ATOM 48 CG PRO A 8 -3.396 2.218 6.171 1.00 87.88 C +ATOM 49 CD PRO A 8 -2.653 2.477 4.905 1.00 89.04 C +HETATM 50 N HYP A 9 -7.123 2.297 3.563 1.00 80.89 N +HETATM 51 CA HYP A 9 -8.148 3.105 2.998 1.00 83.85 C +HETATM 52 C HYP A 9 -8.459 4.295 3.903 1.00 82.98 C +HETATM 53 O HYP A 9 -8.415 4.141 5.147 1.00 85.95 O +HETATM 54 CB HYP A 9 -9.394 2.148 3.026 1.00 78.71 C +HETATM 55 CG HYP A 9 -8.850 0.753 3.113 1.00 77.36 C +HETATM 56 CD HYP A 9 -7.592 0.911 3.893 1.00 82.81 C +HETATM 57 OD1 HYP A 9 -8.504 0.333 1.810 1.00 79.91 O +ATOM 58 N GLY A 10 -8.711 5.426 3.401 1.00 89.30 N +ATOM 59 CA GLY A 10 -9.265 6.510 4.181 1.00 86.29 C +ATOM 60 C GLY A 10 -10.746 6.280 4.390 1.00 85.84 C +ATOM 61 O GLY A 10 -11.332 5.341 3.848 1.00 83.85 O +ATOM 62 N SER A 11 -11.357 7.145 5.176 1.00 86.87 N +ATOM 63 CA SER A 11 -12.796 6.996 5.394 1.00 87.66 C +ATOM 64 C SER A 11 -13.565 7.204 4.102 1.00 88.38 C +ATOM 65 O SER A 11 -14.638 6.624 3.915 1.00 85.01 O +ATOM 66 CB SER A 11 -13.277 7.964 6.474 1.00 83.61 C +ATOM 67 OG SER A 11 -12.987 9.290 6.122 1.00 75.92 O +ATOM 68 N ARG A 12 -13.015 8.014 3.217 1.00 84.48 N +ATOM 69 CA ARG A 12 -13.545 8.187 1.874 1.00 86.68 C +ATOM 70 C ARG A 12 -12.461 8.124 0.814 1.00 87.09 C +ATOM 71 O ARG A 12 -12.776 8.003 -0.370 1.00 81.27 O +ATOM 72 CB ARG A 12 -14.306 9.513 1.754 1.00 81.15 C +ATOM 73 CG ARG A 12 -15.683 9.463 2.380 1.00 73.13 C +ATOM 74 CD ARG A 12 -16.425 10.782 2.244 1.00 68.75 C +ATOM 75 NE ARG A 12 -16.617 11.202 0.875 1.00 66.04 N +ATOM 76 CZ ARG A 12 -17.566 10.758 0.063 1.00 61.91 C +ATOM 77 NH1 ARG A 12 -18.437 9.857 0.472 1.00 60.50 N +ATOM 78 NH2 ARG A 12 -17.646 11.224 -1.171 1.00 55.64 N +ATOM 79 N GLY A 13 -11.211 8.212 1.212 1.00 92.41 N +ATOM 80 CA GLY A 13 -10.111 8.211 0.276 1.00 91.31 C +ATOM 81 C GLY A 13 -9.706 6.824 -0.165 1.00 92.03 C +ATOM 82 O GLY A 13 -10.076 5.823 0.454 1.00 91.58 O +ATOM 83 N PRO A 14 -8.953 6.758 -1.235 1.00 92.70 N +ATOM 84 CA PRO A 14 -8.484 5.478 -1.749 1.00 92.06 C +ATOM 85 C PRO A 14 -7.340 4.929 -0.912 1.00 92.41 C +ATOM 86 O PRO A 14 -6.784 5.620 -0.061 1.00 91.73 O +ATOM 87 CB PRO A 14 -8.004 5.824 -3.152 1.00 90.47 C +ATOM 88 CG PRO A 14 -7.525 7.229 -3.026 1.00 90.33 C +ATOM 89 CD PRO A 14 -8.459 7.884 -2.041 1.00 90.74 C +HETATM 90 N HYP A 15 -7.021 3.716 -1.219 1.00 91.57 N +HETATM 91 CA HYP A 15 -5.858 3.111 -0.609 1.00 89.27 C +HETATM 92 C HYP A 15 -4.618 3.916 -0.903 1.00 91.98 C +HETATM 93 O HYP A 15 -4.552 4.568 -1.969 1.00 91.56 O +HETATM 94 CB HYP A 15 -5.855 1.718 -1.269 1.00 88.25 C +HETATM 95 CG HYP A 15 -7.305 1.474 -1.677 1.00 85.96 C +HETATM 96 CD HYP A 15 -7.755 2.837 -2.120 1.00 89.26 C +HETATM 97 OD1 HYP A 15 -8.063 1.046 -0.582 1.00 87.90 O +ATOM 98 N GLY A 16 -3.696 3.897 -0.012 1.00 94.54 N +ATOM 99 CA GLY A 16 -2.438 4.563 -0.253 1.00 93.77 C +ATOM 100 C GLY A 16 -1.636 3.849 -1.322 1.00 94.31 C +ATOM 101 O GLY A 16 -2.019 2.776 -1.798 1.00 94.24 O +ATOM 102 N PRO A 17 -0.528 4.459 -1.698 1.00 94.23 N +ATOM 103 CA PRO A 17 0.315 3.860 -2.720 1.00 93.55 C +ATOM 104 C PRO A 17 1.023 2.621 -2.197 1.00 94.02 C +ATOM 105 O PRO A 17 1.123 2.399 -0.995 1.00 93.13 O +ATOM 106 CB PRO A 17 1.309 4.966 -3.052 1.00 92.08 C +ATOM 107 CG PRO A 17 1.393 5.752 -1.791 1.00 91.18 C +ATOM 108 CD PRO A 17 0.026 5.712 -1.195 1.00 92.46 C +HETATM 109 N HYP A 18 1.506 1.814 -3.122 1.00 89.67 N +HETATM 110 CA HYP A 18 2.331 0.697 -2.750 1.00 89.95 C +HETATM 111 C HYP A 18 3.497 1.108 -1.907 1.00 90.06 C +HETATM 112 O HYP A 18 4.025 2.242 -2.082 1.00 92.03 O +HETATM 113 CB HYP A 18 2.741 0.107 -4.095 1.00 87.95 C +HETATM 114 CG HYP A 18 1.630 0.504 -5.053 1.00 87.06 C +HETATM 115 CD HYP A 18 1.256 1.881 -4.565 1.00 89.93 C +HETATM 116 OD1 HYP A 18 0.530 -0.374 -4.896 1.00 88.34 O +ATOM 117 N GLY A 19 3.881 0.281 -1.004 1.00 89.73 N +ATOM 118 CA GLY A 19 5.040 0.539 -0.196 1.00 89.48 C +ATOM 119 C GLY A 19 6.305 0.516 -1.032 1.00 89.80 C +ATOM 120 O GLY A 19 6.285 0.169 -2.213 1.00 90.11 O +ATOM 121 N PRO A 20 7.404 0.887 -0.405 1.00 86.73 N +ATOM 122 CA PRO A 20 8.670 0.894 -1.122 1.00 86.46 C +ATOM 123 C PRO A 20 9.129 -0.516 -1.452 1.00 86.61 C +ATOM 124 O PRO A 20 8.692 -1.486 -0.849 1.00 87.26 O +ATOM 125 CB PRO A 20 9.619 1.578 -0.139 1.00 84.06 C +ATOM 126 CG PRO A 20 9.029 1.289 1.188 1.00 81.31 C +ATOM 127 CD PRO A 20 7.549 1.292 0.994 1.00 81.43 C +HETATM 128 N HYP A 21 10.002 -0.579 -2.394 1.00 86.55 N +HETATM 129 CA HYP A 21 10.599 -1.860 -2.746 1.00 83.66 C +HETATM 130 C HYP A 21 11.341 -2.493 -1.575 1.00 87.47 C +HETATM 131 O HYP A 21 11.832 -1.750 -0.704 1.00 91.81 O +HETATM 132 CB HYP A 21 11.572 -1.504 -3.855 1.00 86.06 C +HETATM 133 CG HYP A 21 11.010 -0.235 -4.472 1.00 81.80 C +HETATM 134 CD HYP A 21 10.458 0.501 -3.280 1.00 87.27 C +HETATM 135 OD1 HYP A 21 9.914 -0.574 -5.328 1.00 87.47 O +ATOM 136 N GLY A 22 11.297 -3.755 -1.487 1.00 87.80 N +ATOM 137 CA GLY A 22 12.034 -4.439 -0.463 1.00 86.09 C +ATOM 138 C GLY A 22 13.529 -4.284 -0.678 1.00 85.92 C +ATOM 139 O GLY A 22 13.972 -3.632 -1.619 1.00 85.47 O +ATOM 140 N PRO A 23 14.320 -4.884 0.191 1.00 92.11 N +ATOM 141 CA PRO A 23 15.767 -4.780 0.055 1.00 92.39 C +ATOM 142 C PRO A 23 16.249 -5.460 -1.207 1.00 91.42 C +ATOM 143 O PRO A 23 15.597 -6.354 -1.744 1.00 89.07 O +ATOM 144 CB PRO A 23 16.295 -5.465 1.307 1.00 89.54 C +ATOM 145 CG PRO A 23 15.205 -6.373 1.720 1.00 86.84 C +ATOM 146 CD PRO A 23 13.925 -5.719 1.319 1.00 88.65 C +HETATM 147 N HYP A 24 17.355 -5.114 -1.685 1.00 88.96 N +HETATM 148 CA HYP A 24 17.873 -5.725 -2.913 1.00 80.23 C +HETATM 149 C HYP A 24 17.819 -7.188 -2.897 1.00 83.59 C +HETATM 150 O HYP A 24 18.614 -7.798 -2.173 1.00 80.09 O +HETATM 151 CB HYP A 24 19.251 -5.104 -3.103 1.00 84.10 C +HETATM 152 CG HYP A 24 19.278 -3.878 -2.222 1.00 84.13 C +HETATM 153 CD HYP A 24 18.329 -4.206 -1.075 1.00 86.92 C +HETATM 154 OD1 HYP A 24 18.730 -2.771 -2.933 1.00 85.23 O +HETATM 155 OXT HYP A 24 16.883 -7.681 -3.589 1.00 84.76 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_15.txt b/protein_pdb_15.txt new file mode 100644 index 0000000000000000000000000000000000000000..af275d82844ab91156e8367305a41d76ee5721de --- /dev/null +++ b/protein_pdb_15.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 17.438 -29.515 -8.605 1.00 89.74 N +ATOM 2 CA GLY A 1 18.062 -28.196 -8.656 1.00 91.94 C +ATOM 3 C GLY A 1 17.531 -27.302 -7.555 1.00 92.92 C +ATOM 4 O GLY A 1 16.569 -27.654 -6.874 1.00 90.15 O +ATOM 5 N PRO A 2 18.105 -26.122 -7.364 1.00 93.93 N +ATOM 6 CA PRO A 2 17.642 -25.204 -6.328 1.00 95.29 C +ATOM 7 C PRO A 2 16.275 -24.626 -6.664 1.00 95.51 C +ATOM 8 O PRO A 2 15.896 -24.532 -7.825 1.00 94.28 O +ATOM 9 CB PRO A 2 18.723 -24.115 -6.288 1.00 92.98 C +ATOM 10 CG PRO A 2 19.262 -24.121 -7.673 1.00 90.25 C +ATOM 11 CD PRO A 2 19.252 -25.572 -8.089 1.00 91.67 C +HETATM 12 N HYP A 3 15.580 -24.289 -5.691 1.00 95.15 N +HETATM 13 CA HYP A 3 14.255 -23.617 -5.842 1.00 93.95 C +HETATM 14 C HYP A 3 14.341 -22.301 -6.618 1.00 95.89 C +HETATM 15 O HYP A 3 15.361 -21.585 -6.539 1.00 94.34 O +HETATM 16 CB HYP A 3 13.866 -23.375 -4.390 1.00 93.23 C +HETATM 17 CG HYP A 3 14.639 -24.380 -3.577 1.00 91.74 C +HETATM 18 CD HYP A 3 15.971 -24.467 -4.309 1.00 94.55 C +HETATM 19 OD1 HYP A 3 14.040 -25.633 -3.580 1.00 93.15 O +ATOM 20 N GLY A 4 13.282 -21.979 -7.338 1.00 95.10 N +ATOM 21 CA GLY A 4 13.228 -20.738 -8.060 1.00 94.38 C +ATOM 22 C GLY A 4 13.013 -19.576 -7.099 1.00 94.61 C +ATOM 23 O GLY A 4 12.704 -19.779 -5.926 1.00 94.19 O +ATOM 24 N PRO A 5 13.153 -18.341 -7.592 1.00 96.50 N +ATOM 25 CA PRO A 5 12.973 -17.174 -6.731 1.00 96.56 C +ATOM 26 C PRO A 5 11.510 -16.963 -6.372 1.00 96.74 C +ATOM 27 O PRO A 5 10.613 -17.393 -7.095 1.00 96.06 O +ATOM 28 CB PRO A 5 13.527 -16.025 -7.568 1.00 95.08 C +ATOM 29 CG PRO A 5 13.258 -16.471 -8.967 1.00 93.24 C +ATOM 30 CD PRO A 5 13.519 -17.961 -8.944 1.00 94.84 C +HETATM 31 N HYP A 6 11.277 -16.311 -5.267 1.00 95.16 N +HETATM 32 CA HYP A 6 9.897 -15.908 -4.867 1.00 95.46 C +HETATM 33 C HYP A 6 9.234 -15.005 -5.884 1.00 95.39 C +HETATM 34 O HYP A 6 9.938 -14.262 -6.612 1.00 94.01 O +HETATM 35 CB HYP A 6 10.148 -15.155 -3.539 1.00 92.06 C +HETATM 36 CG HYP A 6 11.421 -15.732 -2.981 1.00 90.41 C +HETATM 37 CD HYP A 6 12.239 -15.974 -4.252 1.00 94.37 C +HETATM 38 OD1 HYP A 6 11.176 -16.941 -2.332 1.00 91.34 O +ATOM 39 N GLY A 7 7.917 -15.033 -5.964 1.00 96.60 N +ATOM 40 CA GLY A 7 7.181 -14.179 -6.860 1.00 96.06 C +ATOM 41 C GLY A 7 7.244 -12.727 -6.404 1.00 96.22 C +ATOM 42 O GLY A 7 7.736 -12.425 -5.322 1.00 95.91 O +ATOM 43 N PRO A 8 6.725 -11.819 -7.231 1.00 95.80 N +ATOM 44 CA PRO A 8 6.750 -10.400 -6.882 1.00 95.66 C +ATOM 45 C PRO A 8 5.795 -10.080 -5.743 1.00 95.73 C +ATOM 46 O PRO A 8 4.831 -10.804 -5.502 1.00 95.25 O +ATOM 47 CB PRO A 8 6.336 -9.713 -8.183 1.00 94.30 C +ATOM 48 CG PRO A 8 5.461 -10.734 -8.842 1.00 92.94 C +ATOM 49 CD PRO A 8 6.120 -12.051 -8.526 1.00 94.12 C +HETATM 50 N HYP A 9 6.023 -9.010 -5.053 1.00 95.05 N +HETATM 51 CA HYP A 9 5.134 -8.512 -4.001 1.00 95.19 C +HETATM 52 C HYP A 9 3.766 -8.171 -4.534 1.00 94.95 C +HETATM 53 O HYP A 9 3.639 -7.715 -5.701 1.00 94.36 O +HETATM 54 CB HYP A 9 5.846 -7.198 -3.507 1.00 92.41 C +HETATM 55 CG HYP A 9 7.281 -7.426 -3.835 1.00 91.52 C +HETATM 56 CD HYP A 9 7.199 -8.208 -5.138 1.00 93.79 C +HETATM 57 OD1 HYP A 9 7.885 -8.238 -2.843 1.00 89.90 O +ATOM 58 N GLY A 10 2.750 -8.354 -3.737 1.00 96.50 N +ATOM 59 CA GLY A 10 1.401 -8.036 -4.129 1.00 95.89 C +ATOM 60 C GLY A 10 1.216 -6.530 -4.275 1.00 96.01 C +ATOM 61 O GLY A 10 2.079 -5.742 -3.874 1.00 95.63 O +ATOM 62 N PRO A 11 0.063 -6.103 -4.832 1.00 96.29 N +ATOM 63 CA PRO A 11 -0.183 -4.672 -5.014 1.00 95.78 C +ATOM 64 C PRO A 11 -0.406 -3.960 -3.680 1.00 95.56 C +ATOM 65 O PRO A 11 -0.874 -4.551 -2.707 1.00 94.01 O +ATOM 66 CB PRO A 11 -1.435 -4.633 -5.886 1.00 94.53 C +ATOM 67 CG PRO A 11 -2.139 -5.894 -5.520 1.00 93.54 C +ATOM 68 CD PRO A 11 -1.039 -6.910 -5.332 1.00 94.70 C +ATOM 69 N ARG A 12 -0.064 -2.674 -3.652 1.00 95.19 N +ATOM 70 CA ARG A 12 -0.267 -1.864 -2.459 1.00 94.79 C +ATOM 71 C ARG A 12 -1.765 -1.670 -2.240 1.00 95.37 C +ATOM 72 O ARG A 12 -2.530 -1.606 -3.204 1.00 93.89 O +ATOM 73 CB ARG A 12 0.435 -0.509 -2.616 1.00 91.82 C +ATOM 74 CG ARG A 12 0.339 0.380 -1.383 1.00 84.53 C +ATOM 75 CD ARG A 12 1.062 1.692 -1.582 1.00 82.02 C +ATOM 76 NE ARG A 12 0.972 2.544 -0.393 1.00 77.91 N +ATOM 77 CZ ARG A 12 1.507 3.746 -0.284 1.00 75.38 C +ATOM 78 NH1 ARG A 12 2.175 4.280 -1.290 1.00 72.48 N +ATOM 79 NH2 ARG A 12 1.374 4.429 0.841 1.00 70.31 N +ATOM 80 N GLY A 13 -2.147 -1.592 -0.971 1.00 95.60 N +ATOM 81 CA GLY A 13 -3.540 -1.374 -0.644 1.00 94.84 C +ATOM 82 C GLY A 13 -4.011 0.009 -1.052 1.00 95.34 C +ATOM 83 O GLY A 13 -3.209 0.857 -1.440 1.00 95.16 O +ATOM 84 N PRO A 14 -5.331 0.267 -0.971 1.00 95.32 N +ATOM 85 CA PRO A 14 -5.875 1.566 -1.362 1.00 95.35 C +ATOM 86 C PRO A 14 -5.460 2.665 -0.391 1.00 95.62 C +ATOM 87 O PRO A 14 -5.099 2.400 0.751 1.00 95.06 O +ATOM 88 CB PRO A 14 -7.386 1.341 -1.343 1.00 94.12 C +ATOM 89 CG PRO A 14 -7.563 0.264 -0.330 1.00 92.42 C +ATOM 90 CD PRO A 14 -6.383 -0.648 -0.537 1.00 93.52 C +HETATM 91 N HYP A 15 -5.546 3.919 -0.825 1.00 91.65 N +HETATM 92 CA HYP A 15 -5.274 5.068 0.001 1.00 93.05 C +HETATM 93 C HYP A 15 -6.187 5.173 1.225 1.00 95.07 C +HETATM 94 O HYP A 15 -7.316 4.638 1.191 1.00 88.12 O +HETATM 95 CB HYP A 15 -5.529 6.214 -0.985 1.00 91.23 C +HETATM 96 CG HYP A 15 -5.230 5.608 -2.336 1.00 89.42 C +HETATM 97 CD HYP A 15 -5.781 4.236 -2.181 1.00 90.37 C +HETATM 98 OD1 HYP A 15 -3.847 5.538 -2.586 1.00 92.32 O +ATOM 99 N GLY A 16 -5.708 5.720 2.276 1.00 96.82 N +ATOM 100 CA GLY A 16 -6.506 5.906 3.456 1.00 96.15 C +ATOM 101 C GLY A 16 -7.581 6.951 3.221 1.00 96.34 C +ATOM 102 O GLY A 16 -7.614 7.603 2.180 1.00 96.27 O +ATOM 103 N PRO A 17 -8.487 7.129 4.207 1.00 94.53 N +ATOM 104 CA PRO A 17 -9.571 8.093 4.059 1.00 94.48 C +ATOM 105 C PRO A 17 -9.071 9.532 4.117 1.00 94.43 C +ATOM 106 O PRO A 17 -8.025 9.812 4.690 1.00 93.69 O +ATOM 107 CB PRO A 17 -10.490 7.766 5.233 1.00 92.79 C +ATOM 108 CG PRO A 17 -9.555 7.238 6.259 1.00 91.16 C +ATOM 109 CD PRO A 17 -8.555 6.425 5.483 1.00 92.67 C +HETATM 110 N HYP A 18 -9.803 10.450 3.566 1.00 93.08 N +HETATM 111 CA HYP A 18 -9.520 11.871 3.616 1.00 94.29 C +HETATM 112 C HYP A 18 -9.569 12.419 5.052 1.00 92.89 C +HETATM 113 O HYP A 18 -10.300 11.873 5.918 1.00 94.54 O +HETATM 114 CB HYP A 18 -10.668 12.461 2.819 1.00 92.59 C +HETATM 115 CG HYP A 18 -11.092 11.412 1.880 1.00 91.13 C +HETATM 116 CD HYP A 18 -10.898 10.159 2.689 1.00 90.54 C +HETATM 117 OD1 HYP A 18 -10.263 11.357 0.744 1.00 91.91 O +ATOM 118 N GLY A 19 -8.821 13.440 5.313 1.00 93.43 N +ATOM 119 CA GLY A 19 -8.829 14.067 6.599 1.00 92.89 C +ATOM 120 C GLY A 19 -10.147 14.783 6.835 1.00 93.10 C +ATOM 121 O GLY A 19 -10.995 14.871 5.941 1.00 92.92 O +ATOM 122 N PRO A 20 -10.349 15.337 8.042 1.00 93.62 N +ATOM 123 CA PRO A 20 -11.597 16.024 8.362 1.00 93.39 C +ATOM 124 C PRO A 20 -11.730 17.336 7.599 1.00 93.00 C +ATOM 125 O PRO A 20 -10.737 17.924 7.174 1.00 91.89 O +ATOM 126 CB PRO A 20 -11.492 16.243 9.874 1.00 91.02 C +ATOM 127 CG PRO A 20 -10.030 16.312 10.119 1.00 88.46 C +ATOM 128 CD PRO A 20 -9.437 15.300 9.181 1.00 91.07 C +HETATM 129 N HYP A 21 -12.933 17.849 7.469 1.00 95.15 N +HETATM 130 CA HYP A 21 -13.226 19.088 6.782 1.00 93.89 C +HETATM 131 C HYP A 21 -12.643 20.310 7.484 1.00 95.68 C +HETATM 132 O HYP A 21 -12.496 20.293 8.736 1.00 94.34 O +HETATM 133 CB HYP A 21 -14.768 19.195 6.900 1.00 93.09 C +HETATM 134 CG HYP A 21 -15.248 17.794 7.071 1.00 91.14 C +HETATM 135 CD HYP A 21 -14.142 17.157 7.859 1.00 93.94 C +HETATM 136 OD1 HYP A 21 -15.339 17.164 5.818 1.00 90.77 O +ATOM 137 N GLY A 22 -12.239 21.307 6.769 1.00 90.24 N +ATOM 138 CA GLY A 22 -11.729 22.521 7.335 1.00 89.76 C +ATOM 139 C GLY A 22 -12.861 23.298 7.997 1.00 90.00 C +ATOM 140 O GLY A 22 -14.026 22.906 7.916 1.00 88.74 O +ATOM 141 N PRO A 23 -12.563 24.446 8.626 1.00 92.74 N +ATOM 142 CA PRO A 23 -13.596 25.240 9.292 1.00 92.87 C +ATOM 143 C PRO A 23 -14.526 25.891 8.288 1.00 92.40 C +ATOM 144 O PRO A 23 -14.137 26.161 7.150 1.00 89.08 O +ATOM 145 CB PRO A 23 -12.796 26.266 10.086 1.00 89.52 C +ATOM 146 CG PRO A 23 -11.543 26.417 9.296 1.00 86.89 C +ATOM 147 CD PRO A 23 -11.237 25.029 8.792 1.00 89.52 C +HETATM 148 N HYP A 24 -15.769 26.277 8.689 1.00 92.75 N +HETATM 149 CA HYP A 24 -16.699 26.866 7.711 1.00 88.84 C +HETATM 150 C HYP A 24 -16.236 28.285 7.325 1.00 88.37 C +HETATM 151 O HYP A 24 -16.934 29.240 7.211 1.00 89.44 O +HETATM 152 CB HYP A 24 -18.003 27.059 8.584 1.00 91.02 C +HETATM 153 CG HYP A 24 -17.866 26.157 9.768 1.00 88.17 C +HETATM 154 CD HYP A 24 -16.354 26.081 10.012 1.00 90.97 C +HETATM 155 OD1 HYP A 24 -18.319 24.884 9.419 1.00 85.76 O +HETATM 156 OXT HYP A 24 -15.047 28.375 7.156 1.00 84.87 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_150.txt b/protein_pdb_150.txt new file mode 100644 index 0000000000000000000000000000000000000000..bd1b1e074e73cb13331e198b668a462686cde9c4 --- /dev/null +++ b/protein_pdb_150.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -21.220 22.730 -13.816 1.00 88.61 N +ATOM 2 CA GLY A 1 -20.853 21.615 -14.677 1.00 91.44 C +ATOM 3 C GLY A 1 -20.783 20.315 -13.921 1.00 91.63 C +ATOM 4 O GLY A 1 -20.941 20.296 -12.699 1.00 89.30 O +ATOM 5 N PRO A 2 -20.542 19.209 -14.600 1.00 92.21 N +ATOM 6 CA PRO A 2 -20.458 17.906 -13.942 1.00 93.69 C +ATOM 7 C PRO A 2 -19.211 17.797 -13.081 1.00 93.53 C +ATOM 8 O PRO A 2 -18.249 18.525 -13.261 1.00 92.36 O +ATOM 9 CB PRO A 2 -20.426 16.918 -15.108 1.00 91.63 C +ATOM 10 CG PRO A 2 -19.787 17.700 -16.205 1.00 87.93 C +ATOM 11 CD PRO A 2 -20.318 19.103 -16.038 1.00 89.74 C +HETATM 12 N HYP A 3 -19.274 16.953 -12.182 1.00 92.57 N +HETATM 13 CA HYP A 3 -18.084 16.600 -11.313 1.00 92.75 C +HETATM 14 C HYP A 3 -16.914 16.176 -12.164 1.00 91.65 C +HETATM 15 O HYP A 3 -17.068 15.536 -13.228 1.00 92.46 O +HETATM 16 CB HYP A 3 -18.627 15.454 -10.467 1.00 89.78 C +HETATM 17 CG HYP A 3 -20.159 15.625 -10.439 1.00 88.52 C +HETATM 18 CD HYP A 3 -20.452 16.155 -11.873 1.00 90.94 C +HETATM 19 OD1 HYP A 3 -20.544 16.593 -9.502 1.00 90.50 O +ATOM 20 N GLY A 4 -15.699 16.507 -11.703 1.00 93.30 N +ATOM 21 CA GLY A 4 -14.499 16.108 -12.398 1.00 92.45 C +ATOM 22 C GLY A 4 -14.259 14.614 -12.270 1.00 92.64 C +ATOM 23 O GLY A 4 -14.967 13.920 -11.534 1.00 92.62 O +ATOM 24 N PRO A 5 -13.263 14.107 -12.979 1.00 92.80 N +ATOM 25 CA PRO A 5 -12.962 12.675 -12.914 1.00 93.48 C +ATOM 26 C PRO A 5 -12.382 12.292 -11.560 1.00 93.21 C +ATOM 27 O PRO A 5 -11.850 13.127 -10.841 1.00 92.35 O +ATOM 28 CB PRO A 5 -11.948 12.472 -14.038 1.00 91.50 C +ATOM 29 CG PRO A 5 -11.268 13.791 -14.125 1.00 89.45 C +ATOM 30 CD PRO A 5 -12.353 14.810 -13.867 1.00 91.41 C +HETATM 31 N HYP A 6 -12.521 11.032 -11.239 1.00 90.39 N +HETATM 32 CA HYP A 6 -11.871 10.518 -9.994 1.00 94.55 C +HETATM 33 C HYP A 6 -10.396 10.705 -10.026 1.00 89.26 C +HETATM 34 O HYP A 6 -9.759 10.659 -11.089 1.00 91.23 O +HETATM 35 CB HYP A 6 -12.252 9.013 -10.057 1.00 85.38 C +HETATM 36 CG HYP A 6 -13.529 8.929 -10.883 1.00 83.53 C +HETATM 37 CD HYP A 6 -13.289 10.015 -11.920 1.00 88.55 C +HETATM 38 OD1 HYP A 6 -14.670 9.237 -10.105 1.00 88.07 O +ATOM 39 N GLY A 7 -9.797 10.950 -8.847 1.00 94.61 N +ATOM 40 CA GLY A 7 -8.368 11.113 -8.731 1.00 93.66 C +ATOM 41 C GLY A 7 -7.643 9.804 -8.999 1.00 93.82 C +ATOM 42 O GLY A 7 -8.265 8.752 -9.162 1.00 93.60 O +ATOM 43 N PRO A 8 -6.315 9.864 -9.040 1.00 93.12 N +ATOM 44 CA PRO A 8 -5.534 8.659 -9.293 1.00 93.06 C +ATOM 45 C PRO A 8 -5.599 7.693 -8.115 1.00 92.71 C +ATOM 46 O PRO A 8 -5.920 8.080 -6.995 1.00 91.21 O +ATOM 47 CB PRO A 8 -4.120 9.186 -9.505 1.00 91.09 C +ATOM 48 CG PRO A 8 -4.092 10.441 -8.698 1.00 90.43 C +ATOM 49 CD PRO A 8 -5.469 11.033 -8.864 1.00 92.41 C +HETATM 50 N HYP A 9 -5.295 6.444 -8.353 1.00 90.27 N +HETATM 51 CA HYP A 9 -5.204 5.433 -7.317 1.00 91.59 C +HETATM 52 C HYP A 9 -4.217 5.777 -6.304 1.00 89.25 C +HETATM 53 O HYP A 9 -3.199 6.415 -6.598 1.00 87.98 O +HETATM 54 CB HYP A 9 -4.805 4.172 -8.133 1.00 87.09 C +HETATM 55 CG HYP A 9 -5.389 4.424 -9.510 1.00 83.86 C +HETATM 56 CD HYP A 9 -5.173 5.893 -9.666 1.00 87.66 C +HETATM 57 OD1 HYP A 9 -6.781 4.133 -9.560 1.00 83.95 O +ATOM 58 N GLY A 10 -4.437 5.399 -5.022 1.00 90.73 N +ATOM 59 CA GLY A 10 -3.527 5.671 -3.933 1.00 88.63 C +ATOM 60 C GLY A 10 -2.211 4.925 -4.088 1.00 89.15 C +ATOM 61 O GLY A 10 -2.016 4.153 -5.031 1.00 88.29 O +ATOM 62 N ASP A 11 -1.315 5.163 -3.129 1.00 89.09 N +ATOM 63 CA ASP A 11 -0.002 4.521 -3.153 1.00 90.41 C +ATOM 64 C ASP A 11 -0.116 3.006 -3.077 1.00 90.53 C +ATOM 65 O ASP A 11 -1.027 2.461 -2.448 1.00 88.11 O +ATOM 66 CB ASP A 11 0.849 5.003 -1.985 1.00 87.25 C +ATOM 67 CG ASP A 11 1.193 6.469 -2.062 1.00 82.26 C +ATOM 68 OD1 ASP A 11 1.160 7.048 -3.166 1.00 80.35 O +ATOM 69 OD2 ASP A 11 1.508 7.049 -1.003 1.00 78.77 O +ATOM 70 N MET A 12 0.833 2.330 -3.689 1.00 87.28 N +ATOM 71 CA MET A 12 0.915 0.874 -3.596 1.00 88.41 C +ATOM 72 C MET A 12 1.156 0.494 -2.134 1.00 88.18 C +ATOM 73 O MET A 12 1.838 1.217 -1.402 1.00 81.85 O +ATOM 74 CB MET A 12 2.051 0.363 -4.487 1.00 83.66 C +ATOM 75 CG MET A 12 2.104 -1.137 -4.625 1.00 78.63 C +ATOM 76 SD MET A 12 3.366 -1.655 -5.799 1.00 74.21 S +ATOM 77 CE MET A 12 2.723 -0.974 -7.308 1.00 67.98 C +ATOM 78 N GLY A 13 0.567 -0.626 -1.734 1.00 89.06 N +ATOM 79 CA GLY A 13 0.724 -1.089 -0.368 1.00 87.29 C +ATOM 80 C GLY A 13 2.160 -1.448 -0.030 1.00 87.94 C +ATOM 81 O GLY A 13 3.029 -1.491 -0.905 1.00 88.57 O +ATOM 82 N PRO A 14 2.430 -1.711 1.252 1.00 88.43 N +ATOM 83 CA PRO A 14 3.785 -2.041 1.681 1.00 89.27 C +ATOM 84 C PRO A 14 4.236 -3.394 1.141 1.00 88.61 C +ATOM 85 O PRO A 14 3.422 -4.236 0.789 1.00 88.22 O +ATOM 86 CB PRO A 14 3.688 -2.052 3.206 1.00 87.67 C +ATOM 87 CG PRO A 14 2.271 -2.420 3.468 1.00 85.82 C +ATOM 88 CD PRO A 14 1.492 -1.712 2.388 1.00 86.41 C +HETATM 89 N HYP A 15 5.531 -3.595 1.107 1.00 82.87 N +HETATM 90 CA HYP A 15 6.117 -4.854 0.707 1.00 83.56 C +HETATM 91 C HYP A 15 5.661 -6.001 1.614 1.00 86.28 C +HETATM 92 O HYP A 15 5.345 -5.746 2.798 1.00 78.79 O +HETATM 93 CB HYP A 15 7.631 -4.575 0.896 1.00 81.27 C +HETATM 94 CG HYP A 15 7.734 -3.089 0.695 1.00 77.12 C +HETATM 95 CD HYP A 15 6.492 -2.587 1.336 1.00 82.97 C +HETATM 96 OD1 HYP A 15 7.748 -2.772 -0.671 1.00 80.80 O +ATOM 97 N GLY A 16 5.572 -7.170 1.094 1.00 89.13 N +ATOM 98 CA GLY A 16 5.223 -8.310 1.897 1.00 87.35 C +ATOM 99 C GLY A 16 6.333 -8.634 2.884 1.00 87.64 C +ATOM 100 O GLY A 16 7.417 -8.053 2.830 1.00 89.40 O +ATOM 101 N PRO A 17 6.062 -9.578 3.804 1.00 85.31 N +ATOM 102 CA PRO A 17 7.069 -9.944 4.793 1.00 86.95 C +ATOM 103 C PRO A 17 8.234 -10.686 4.146 1.00 87.03 C +ATOM 104 O PRO A 17 8.097 -11.265 3.080 1.00 87.76 O +ATOM 105 CB PRO A 17 6.303 -10.835 5.770 1.00 85.23 C +ATOM 106 CG PRO A 17 5.224 -11.425 4.929 1.00 82.18 C +ATOM 107 CD PRO A 17 4.818 -10.325 3.987 1.00 82.75 C +HETATM 108 N HYP A 18 9.359 -10.684 4.799 1.00 87.69 N +HETATM 109 CA HYP A 18 10.517 -11.423 4.362 1.00 92.46 C +HETATM 110 C HYP A 18 10.244 -12.917 4.266 1.00 88.77 C +HETATM 111 O HYP A 18 9.395 -13.458 5.013 1.00 90.86 O +HETATM 112 CB HYP A 18 11.526 -11.130 5.457 1.00 87.22 C +HETATM 113 CG HYP A 18 11.098 -9.796 6.061 1.00 82.74 C +HETATM 114 CD HYP A 18 9.605 -9.875 5.974 1.00 86.87 C +HETATM 115 OD1 HYP A 18 11.569 -8.722 5.291 1.00 88.17 O +ATOM 116 N GLY A 19 10.880 -13.581 3.339 1.00 90.34 N +ATOM 117 CA GLY A 19 10.750 -15.006 3.207 1.00 89.47 C +ATOM 118 C GLY A 19 11.375 -15.713 4.401 1.00 89.84 C +ATOM 119 O GLY A 19 12.025 -15.092 5.238 1.00 89.95 O +ATOM 120 N PRO A 20 11.192 -17.034 4.484 1.00 86.30 N +ATOM 121 CA PRO A 20 11.748 -17.792 5.597 1.00 87.37 C +ATOM 122 C PRO A 20 13.270 -17.854 5.524 1.00 86.94 C +ATOM 123 O PRO A 20 13.855 -17.680 4.460 1.00 86.00 O +ATOM 124 CB PRO A 20 11.108 -19.169 5.439 1.00 84.10 C +ATOM 125 CG PRO A 20 10.847 -19.260 3.970 1.00 81.65 C +ATOM 126 CD PRO A 20 10.445 -17.871 3.561 1.00 84.25 C +HETATM 127 N HYP A 21 13.905 -18.127 6.652 1.00 92.96 N +HETATM 128 CA HYP A 21 15.357 -18.283 6.705 1.00 90.19 C +HETATM 129 C HYP A 21 15.841 -19.445 5.841 1.00 89.05 C +HETATM 130 O HYP A 21 15.118 -20.433 5.661 1.00 91.78 O +HETATM 131 CB HYP A 21 15.600 -18.610 8.198 1.00 88.76 C +HETATM 132 CG HYP A 21 14.427 -17.971 8.949 1.00 82.84 C +HETATM 133 CD HYP A 21 13.293 -18.163 7.983 1.00 89.09 C +HETATM 134 OD1 HYP A 21 14.632 -16.578 9.140 1.00 88.48 O +ATOM 135 N GLY A 22 17.015 -19.315 5.245 1.00 88.84 N +ATOM 136 CA GLY A 22 17.594 -20.370 4.457 1.00 88.25 C +ATOM 137 C GLY A 22 17.929 -21.572 5.329 1.00 88.64 C +ATOM 138 O GLY A 22 17.859 -21.499 6.556 1.00 87.36 O +ATOM 139 N PRO A 23 18.328 -22.687 4.723 1.00 88.20 N +ATOM 140 CA PRO A 23 18.654 -23.879 5.496 1.00 89.45 C +ATOM 141 C PRO A 23 19.924 -23.670 6.310 1.00 88.50 C +ATOM 142 O PRO A 23 20.781 -22.861 5.951 1.00 85.04 O +ATOM 143 CB PRO A 23 18.828 -24.960 4.435 1.00 85.20 C +ATOM 144 CG PRO A 23 19.238 -24.199 3.230 1.00 82.51 C +ATOM 145 CD PRO A 23 18.473 -22.906 3.293 1.00 84.70 C +HETATM 146 N HYP A 24 20.129 -24.425 7.383 1.00 90.77 N +HETATM 147 CA HYP A 24 21.366 -24.222 8.147 1.00 83.93 C +HETATM 148 C HYP A 24 22.508 -24.685 7.294 1.00 86.85 C +HETATM 149 O HYP A 24 23.296 -23.827 6.998 1.00 84.12 O +HETATM 150 CB HYP A 24 21.206 -25.182 9.376 1.00 87.15 C +HETATM 151 CG HYP A 24 19.747 -25.445 9.537 1.00 83.83 C +HETATM 152 CD HYP A 24 19.188 -25.310 8.095 1.00 89.23 C +HETATM 153 OD1 HYP A 24 19.183 -24.448 10.354 1.00 82.95 O +HETATM 154 OXT HYP A 24 22.569 -25.895 6.917 1.00 81.62 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_151.txt b/protein_pdb_151.txt new file mode 100644 index 0000000000000000000000000000000000000000..fed408cd008291b60e31d81c9a19202851dfe5ae --- /dev/null +++ b/protein_pdb_151.txt @@ -0,0 +1,1746 @@ +ATOM 1 N GLY A 1 -39.822 -39.864 -48.991 1.00 48.60 N +ATOM 2 CA GLY A 1 -39.181 -40.084 -47.675 1.00 56.56 C +ATOM 3 C GLY A 1 -39.343 -38.821 -46.869 1.00 54.16 C +ATOM 4 O GLY A 1 -39.277 -37.755 -47.469 1.00 51.92 O +ATOM 5 N GLN A 2 -39.686 -38.963 -45.613 1.00 67.03 N +ATOM 6 CA GLN A 2 -39.793 -37.814 -44.721 1.00 70.43 C +ATOM 7 C GLN A 2 -38.407 -37.485 -44.160 1.00 68.21 C +ATOM 8 O GLN A 2 -37.737 -38.384 -43.647 1.00 63.66 O +ATOM 9 CB GLN A 2 -40.779 -38.131 -43.579 1.00 66.39 C +ATOM 10 CG GLN A 2 -42.243 -38.172 -44.053 1.00 59.19 C +ATOM 11 CD GLN A 2 -43.226 -38.586 -42.948 1.00 53.33 C +ATOM 12 OE1 GLN A 2 -42.869 -38.923 -41.836 1.00 51.80 O +ATOM 13 NE2 GLN A 2 -44.510 -38.603 -43.228 1.00 48.33 N +ATOM 14 N ASP A 3 -37.997 -36.236 -44.272 1.00 61.25 N +ATOM 15 CA ASP A 3 -36.720 -35.759 -43.754 1.00 67.58 C +ATOM 16 C ASP A 3 -36.695 -35.811 -42.224 1.00 65.23 C +ATOM 17 O ASP A 3 -37.647 -35.414 -41.544 1.00 59.63 O +ATOM 18 CB ASP A 3 -36.441 -34.341 -44.284 1.00 63.71 C +ATOM 19 CG ASP A 3 -36.298 -34.311 -45.803 1.00 56.12 C +ATOM 20 OD1 ASP A 3 -35.678 -35.252 -46.353 1.00 52.64 O +ATOM 21 OD2 ASP A 3 -36.855 -33.362 -46.408 1.00 50.51 O +ATOM 22 N GLY A 4 -35.623 -36.347 -41.697 1.00 64.38 N +ATOM 23 CA GLY A 4 -35.397 -36.446 -40.259 1.00 66.68 C +ATOM 24 C GLY A 4 -35.289 -35.064 -39.608 1.00 65.31 C +ATOM 25 O GLY A 4 -34.601 -34.182 -40.109 1.00 62.72 O +ATOM 26 N ARG A 5 -35.964 -34.883 -38.484 1.00 68.37 N +ATOM 27 CA ARG A 5 -35.873 -33.656 -37.682 1.00 75.44 C +ATOM 28 C ARG A 5 -34.512 -33.591 -36.985 1.00 73.20 C +ATOM 29 O ARG A 5 -34.083 -34.580 -36.393 1.00 70.82 O +ATOM 30 CB ARG A 5 -37.018 -33.588 -36.660 1.00 70.91 C +ATOM 31 CG ARG A 5 -38.407 -33.496 -37.318 1.00 62.50 C +ATOM 32 CD ARG A 5 -39.501 -33.394 -36.251 1.00 59.32 C +ATOM 33 NE ARG A 5 -40.849 -33.415 -36.844 1.00 55.75 N +ATOM 34 CZ ARG A 5 -41.994 -33.309 -36.182 1.00 49.27 C +ATOM 35 NH1 ARG A 5 -42.030 -33.161 -34.882 1.00 49.67 N +ATOM 36 NH2 ARG A 5 -43.122 -33.363 -36.816 1.00 48.64 N +ATOM 37 N ASN A 6 -33.878 -32.437 -37.027 1.00 69.29 N +ATOM 38 CA ASN A 6 -32.673 -32.173 -36.248 1.00 75.01 C +ATOM 39 C ASN A 6 -32.943 -32.361 -34.750 1.00 72.65 C +ATOM 40 O ASN A 6 -33.978 -31.918 -34.247 1.00 67.11 O +ATOM 41 CB ASN A 6 -32.155 -30.759 -36.541 1.00 69.39 C +ATOM 42 CG ASN A 6 -31.468 -30.636 -37.894 1.00 62.21 C +ATOM 43 OD1 ASN A 6 -30.964 -31.597 -38.453 1.00 58.25 O +ATOM 44 ND2 ASN A 6 -31.397 -29.455 -38.460 1.00 55.48 N +ATOM 45 N GLY A 7 -32.020 -33.016 -34.067 1.00 68.89 N +ATOM 46 CA GLY A 7 -32.095 -33.214 -32.620 1.00 70.71 C +ATOM 47 C GLY A 7 -32.093 -31.892 -31.850 1.00 70.31 C +ATOM 48 O GLY A 7 -31.397 -30.943 -32.229 1.00 68.08 O +ATOM 49 N GLU A 8 -32.882 -31.846 -30.792 1.00 65.91 N +ATOM 50 CA GLU A 8 -32.979 -30.673 -29.921 1.00 73.03 C +ATOM 51 C GLU A 8 -31.646 -30.434 -29.189 1.00 71.24 C +ATOM 52 O GLU A 8 -30.947 -31.361 -28.783 1.00 68.53 O +ATOM 53 CB GLU A 8 -34.157 -30.809 -28.951 1.00 68.83 C +ATOM 54 CG GLU A 8 -35.510 -30.811 -29.701 1.00 61.49 C +ATOM 55 CD GLU A 8 -36.733 -30.857 -28.779 1.00 57.85 C +ATOM 56 OE1 GLU A 8 -37.832 -30.543 -29.294 1.00 54.74 O +ATOM 57 OE2 GLU A 8 -36.583 -31.214 -27.593 1.00 53.78 O +ATOM 58 N ARG A 9 -31.273 -29.142 -29.041 1.00 69.25 N +ATOM 59 CA ARG A 9 -30.074 -28.725 -28.303 1.00 75.87 C +ATOM 60 C ARG A 9 -30.246 -29.100 -26.824 1.00 72.86 C +ATOM 61 O ARG A 9 -31.240 -28.736 -26.214 1.00 66.75 O +ATOM 62 CB ARG A 9 -29.852 -27.208 -28.506 1.00 71.35 C +ATOM 63 CG ARG A 9 -28.677 -26.660 -27.686 1.00 65.52 C +ATOM 64 CD ARG A 9 -28.499 -25.139 -27.869 1.00 63.34 C +ATOM 65 NE ARG A 9 -27.675 -24.791 -29.034 1.00 58.80 N +ATOM 66 CZ ARG A 9 -27.330 -23.573 -29.416 1.00 53.60 C +ATOM 67 NH1 ARG A 9 -27.779 -22.504 -28.816 1.00 53.28 N +ATOM 68 NH2 ARG A 9 -26.519 -23.402 -30.420 1.00 52.31 N +ATOM 69 N GLY A 10 -29.255 -29.777 -26.251 1.00 69.55 N +ATOM 70 CA GLY A 10 -29.265 -30.144 -24.835 1.00 71.49 C +ATOM 71 C GLY A 10 -29.392 -28.923 -23.911 1.00 70.22 C +ATOM 72 O GLY A 10 -28.844 -27.853 -24.211 1.00 69.30 O +ATOM 73 N GLU A 11 -30.127 -29.106 -22.807 1.00 65.66 N +ATOM 74 CA GLU A 11 -30.357 -28.053 -21.817 1.00 74.17 C +ATOM 75 C GLU A 11 -29.051 -27.628 -21.129 1.00 71.10 C +ATOM 76 O GLU A 11 -28.145 -28.421 -20.870 1.00 68.43 O +ATOM 77 CB GLU A 11 -31.400 -28.490 -20.781 1.00 70.62 C +ATOM 78 CG GLU A 11 -32.800 -28.700 -21.393 1.00 62.87 C +ATOM 79 CD GLU A 11 -33.885 -28.980 -20.331 1.00 59.70 C +ATOM 80 OE1 GLU A 11 -35.076 -28.798 -20.678 1.00 55.68 O +ATOM 81 OE2 GLU A 11 -33.519 -29.356 -19.194 1.00 55.40 O +ATOM 82 N GLN A 12 -28.942 -26.328 -20.834 1.00 68.35 N +ATOM 83 CA GLN A 12 -27.802 -25.750 -20.132 1.00 75.07 C +ATOM 84 C GLN A 12 -27.768 -26.235 -18.671 1.00 72.67 C +ATOM 85 O GLN A 12 -28.776 -26.174 -17.970 1.00 66.38 O +ATOM 86 CB GLN A 12 -27.881 -24.223 -20.245 1.00 73.03 C +ATOM 87 CG GLN A 12 -26.675 -23.499 -19.627 1.00 68.54 C +ATOM 88 CD GLN A 12 -26.705 -21.985 -19.856 1.00 64.52 C +ATOM 89 OE1 GLN A 12 -27.562 -21.425 -20.523 1.00 62.57 O +ATOM 90 NE2 GLN A 12 -25.744 -21.257 -19.331 1.00 58.32 N +ATOM 91 N GLY A 13 -26.615 -26.694 -18.214 1.00 68.79 N +ATOM 92 CA GLY A 13 -26.445 -27.172 -16.833 1.00 71.46 C +ATOM 93 C GLY A 13 -26.707 -26.078 -15.784 1.00 70.14 C +ATOM 94 O GLY A 13 -26.528 -24.892 -16.062 1.00 69.30 O +ATOM 95 N PRO A 14 -27.102 -26.483 -14.558 1.00 62.66 N +ATOM 96 CA PRO A 14 -27.439 -25.538 -13.498 1.00 68.24 C +ATOM 97 C PRO A 14 -26.230 -24.702 -13.056 1.00 65.43 C +ATOM 98 O PRO A 14 -25.090 -25.172 -13.023 1.00 63.77 O +ATOM 99 CB PRO A 14 -28.009 -26.383 -12.356 1.00 68.32 C +ATOM 100 CG PRO A 14 -27.351 -27.746 -12.555 1.00 66.16 C +ATOM 101 CD PRO A 14 -27.238 -27.847 -14.081 1.00 66.92 C +ATOM 102 N THR A 15 -26.498 -23.454 -12.664 1.00 66.76 N +ATOM 103 CA THR A 15 -25.490 -22.545 -12.111 1.00 72.03 C +ATOM 104 C THR A 15 -24.928 -23.089 -10.790 1.00 68.16 C +ATOM 105 O THR A 15 -25.688 -23.496 -9.912 1.00 63.77 O +ATOM 106 CB THR A 15 -26.094 -21.150 -11.889 1.00 71.03 C +ATOM 107 OG1 THR A 15 -26.694 -20.691 -13.087 1.00 68.75 O +ATOM 108 CG2 THR A 15 -25.075 -20.096 -11.482 1.00 66.94 C +ATOM 109 N GLY A 16 -23.610 -23.077 -10.629 1.00 68.09 N +ATOM 110 CA GLY A 16 -22.940 -23.535 -9.410 1.00 70.31 C +ATOM 111 C GLY A 16 -23.288 -22.688 -8.168 1.00 68.90 C +ATOM 112 O GLY A 16 -23.638 -21.517 -8.291 1.00 67.94 O +ATOM 113 N PRO A 17 -23.167 -23.270 -6.963 1.00 64.35 N +ATOM 114 CA PRO A 17 -23.496 -22.582 -5.717 1.00 68.91 C +ATOM 115 C PRO A 17 -22.561 -21.387 -5.457 1.00 65.40 C +ATOM 116 O PRO A 17 -21.377 -21.409 -5.791 1.00 63.73 O +ATOM 117 CB PRO A 17 -23.406 -23.647 -4.623 1.00 68.97 C +ATOM 118 CG PRO A 17 -22.395 -24.645 -5.173 1.00 68.05 C +ATOM 119 CD PRO A 17 -22.677 -24.617 -6.680 1.00 69.61 C +ATOM 120 N THR A 18 -23.108 -20.363 -4.782 1.00 68.98 N +ATOM 121 CA THR A 18 -22.346 -19.190 -4.338 1.00 73.34 C +ATOM 122 C THR A 18 -21.250 -19.603 -3.339 1.00 69.16 C +ATOM 123 O THR A 18 -21.518 -20.338 -2.399 1.00 64.65 O +ATOM 124 CB THR A 18 -23.273 -18.150 -3.690 1.00 72.08 C +ATOM 125 OG1 THR A 18 -24.331 -17.834 -4.581 1.00 70.40 O +ATOM 126 CG2 THR A 18 -22.583 -16.837 -3.342 1.00 68.29 C +ATOM 127 N GLY A 19 -20.024 -19.119 -3.541 1.00 68.55 N +ATOM 128 CA GLY A 19 -18.902 -19.389 -2.638 1.00 70.84 C +ATOM 129 C GLY A 19 -19.116 -18.832 -1.221 1.00 70.80 C +ATOM 130 O GLY A 19 -19.849 -17.852 -1.049 1.00 69.67 O +ATOM 131 N PRO A 20 -18.474 -19.425 -0.198 1.00 67.29 N +ATOM 132 CA PRO A 20 -18.590 -18.975 1.181 1.00 71.63 C +ATOM 133 C PRO A 20 -18.028 -17.561 1.362 1.00 68.48 C +ATOM 134 O PRO A 20 -17.109 -17.136 0.664 1.00 66.82 O +ATOM 135 CB PRO A 20 -17.841 -20.010 2.022 1.00 71.06 C +ATOM 136 CG PRO A 20 -16.800 -20.563 1.053 1.00 69.45 C +ATOM 137 CD PRO A 20 -17.531 -20.533 -0.293 1.00 71.16 C +ATOM 138 N ALA A 21 -18.571 -16.832 2.363 1.00 73.79 N +ATOM 139 CA ALA A 21 -18.057 -15.520 2.739 1.00 79.03 C +ATOM 140 C ALA A 21 -16.588 -15.614 3.199 1.00 76.46 C +ATOM 141 O ALA A 21 -16.201 -16.561 3.883 1.00 70.92 O +ATOM 142 CB ALA A 21 -18.950 -14.916 3.830 1.00 76.07 C +ATOM 143 N GLY A 22 -15.772 -14.619 2.830 1.00 70.67 N +ATOM 144 CA GLY A 22 -14.371 -14.554 3.231 1.00 73.18 C +ATOM 145 C GLY A 22 -14.199 -14.454 4.757 1.00 73.60 C +ATOM 146 O GLY A 22 -15.078 -13.934 5.443 1.00 72.05 O +ATOM 147 N PRO A 23 -13.066 -14.954 5.300 1.00 69.27 N +ATOM 148 CA PRO A 23 -12.793 -14.900 6.730 1.00 73.38 C +ATOM 149 C PRO A 23 -12.697 -13.442 7.219 1.00 71.37 C +ATOM 150 O PRO A 23 -12.247 -12.554 6.498 1.00 68.17 O +ATOM 151 CB PRO A 23 -11.493 -15.671 6.938 1.00 71.32 C +ATOM 152 CG PRO A 23 -10.781 -15.530 5.597 1.00 68.58 C +ATOM 153 CD PRO A 23 -11.928 -15.524 4.588 1.00 70.31 C +ATOM 154 N ARG A 24 -13.110 -13.215 8.480 1.00 67.36 N +ATOM 155 CA ARG A 24 -12.952 -11.921 9.151 1.00 74.29 C +ATOM 156 C ARG A 24 -11.461 -11.572 9.252 1.00 70.47 C +ATOM 157 O ARG A 24 -10.678 -12.409 9.665 1.00 64.72 O +ATOM 158 CB ARG A 24 -13.629 -11.989 10.525 1.00 71.78 C +ATOM 159 CG ARG A 24 -13.617 -10.644 11.273 1.00 69.25 C +ATOM 160 CD ARG A 24 -14.368 -10.774 12.601 1.00 68.40 C +ATOM 161 NE ARG A 24 -14.388 -9.511 13.344 1.00 63.38 N +ATOM 162 CZ ARG A 24 -15.008 -9.277 14.493 1.00 57.75 C +ATOM 163 NH1 ARG A 24 -15.690 -10.211 15.092 1.00 57.01 N +ATOM 164 NH2 ARG A 24 -14.948 -8.107 15.047 1.00 55.11 N +ATOM 165 N GLY A 25 -11.100 -10.328 8.915 1.00 68.66 N +ATOM 166 CA GLY A 25 -9.727 -9.841 9.042 1.00 71.09 C +ATOM 167 C GLY A 25 -9.194 -10.005 10.476 1.00 71.62 C +ATOM 168 O GLY A 25 -9.946 -9.835 11.440 1.00 68.58 O +ATOM 169 N LEU A 26 -7.907 -10.365 10.593 1.00 68.03 N +ATOM 170 CA LEU A 26 -7.245 -10.518 11.883 1.00 73.65 C +ATOM 171 C LEU A 26 -7.164 -9.157 12.592 1.00 71.41 C +ATOM 172 O LEU A 26 -6.955 -8.126 11.970 1.00 68.44 O +ATOM 173 CB LEU A 26 -5.853 -11.145 11.715 1.00 70.47 C +ATOM 174 CG LEU A 26 -5.863 -12.589 11.168 1.00 64.05 C +ATOM 175 CD1 LEU A 26 -4.426 -13.071 10.931 1.00 60.38 C +ATOM 176 CD2 LEU A 26 -6.529 -13.570 12.134 1.00 58.49 C +ATOM 177 N GLN A 27 -7.335 -9.177 13.934 1.00 69.61 N +ATOM 178 CA GLN A 27 -7.146 -7.998 14.767 1.00 74.34 C +ATOM 179 C GLN A 27 -5.673 -7.563 14.713 1.00 70.75 C +ATOM 180 O GLN A 27 -4.783 -8.402 14.850 1.00 65.99 O +ATOM 181 CB GLN A 27 -7.613 -8.329 16.189 1.00 72.18 C +ATOM 182 CG GLN A 27 -7.543 -7.129 17.149 1.00 69.22 C +ATOM 183 CD GLN A 27 -8.128 -7.440 18.530 1.00 66.23 C +ATOM 184 OE1 GLN A 27 -8.707 -8.486 18.790 1.00 63.13 O +ATOM 185 NE2 GLN A 27 -8.012 -6.530 19.471 1.00 60.04 N +ATOM 186 N GLY A 28 -5.415 -6.259 14.527 1.00 65.83 N +ATOM 187 CA GLY A 28 -4.063 -5.709 14.518 1.00 68.83 C +ATOM 188 C GLY A 28 -3.296 -6.058 15.801 1.00 68.72 C +ATOM 189 O GLY A 28 -3.869 -6.066 16.892 1.00 65.86 O +ATOM 190 N LEU A 29 -2.007 -6.367 15.663 1.00 68.21 N +ATOM 191 CA LEU A 29 -1.139 -6.689 16.789 1.00 73.66 C +ATOM 192 C LEU A 29 -1.000 -5.471 17.710 1.00 72.20 C +ATOM 193 O LEU A 29 -0.905 -4.332 17.261 1.00 69.19 O +ATOM 194 CB LEU A 29 0.232 -7.191 16.308 1.00 69.99 C +ATOM 195 CG LEU A 29 0.192 -8.532 15.545 1.00 63.95 C +ATOM 196 CD1 LEU A 29 1.591 -8.871 15.016 1.00 60.02 C +ATOM 197 CD2 LEU A 29 -0.264 -9.695 16.433 1.00 57.40 C +ATOM 198 N GLN A 30 -0.976 -5.723 19.036 1.00 68.50 N +ATOM 199 CA GLN A 30 -0.718 -4.689 20.022 1.00 73.91 C +ATOM 200 C GLN A 30 0.701 -4.143 19.842 1.00 70.69 C +ATOM 201 O GLN A 30 1.649 -4.914 19.757 1.00 65.61 O +ATOM 202 CB GLN A 30 -0.954 -5.277 21.421 1.00 71.31 C +ATOM 203 CG GLN A 30 -0.819 -4.227 22.543 1.00 68.24 C +ATOM 204 CD GLN A 30 -1.163 -4.776 23.929 1.00 65.15 C +ATOM 205 OE1 GLN A 30 -1.540 -5.922 24.126 1.00 61.93 O +ATOM 206 NE2 GLN A 30 -1.068 -3.973 24.958 1.00 58.65 N +ATOM 207 N GLY A 31 0.840 -2.811 19.789 1.00 63.91 N +ATOM 208 CA GLY A 31 2.153 -2.162 19.686 1.00 67.00 C +ATOM 209 C GLY A 31 3.092 -2.604 20.813 1.00 67.34 C +ATOM 210 O GLY A 31 2.666 -2.790 21.951 1.00 64.70 O +ATOM 211 N LEU A 32 4.389 -2.768 20.486 1.00 67.62 N +ATOM 212 CA LEU A 32 5.419 -3.144 21.449 1.00 73.47 C +ATOM 213 C LEU A 32 5.545 -2.058 22.528 1.00 72.30 C +ATOM 214 O LEU A 32 5.416 -0.865 22.262 1.00 69.28 O +ATOM 215 CB LEU A 32 6.757 -3.408 20.748 1.00 69.78 C +ATOM 216 CG LEU A 32 6.763 -4.609 19.790 1.00 63.40 C +ATOM 217 CD1 LEU A 32 8.104 -4.702 19.060 1.00 59.33 C +ATOM 218 CD2 LEU A 32 6.522 -5.931 20.516 1.00 57.24 C +ATOM 219 N GLN A 33 5.787 -2.496 23.784 1.00 70.90 N +ATOM 220 CA GLN A 33 6.058 -1.586 24.890 1.00 76.22 C +ATOM 221 C GLN A 33 7.350 -0.809 24.607 1.00 72.87 C +ATOM 222 O GLN A 33 8.361 -1.415 24.265 1.00 68.45 O +ATOM 223 CB GLN A 33 6.124 -2.393 26.192 1.00 72.93 C +ATOM 224 CG GLN A 33 6.341 -1.514 27.438 1.00 69.94 C +ATOM 225 CD GLN A 33 6.296 -2.298 28.748 1.00 65.62 C +ATOM 226 OE1 GLN A 33 6.024 -3.484 28.814 1.00 63.05 O +ATOM 227 NE2 GLN A 33 6.551 -1.652 29.864 1.00 60.51 N +ATOM 228 N GLY A 34 7.313 0.519 24.758 1.00 67.00 N +ATOM 229 CA GLY A 34 8.495 1.362 24.571 1.00 69.82 C +ATOM 230 C GLY A 34 9.654 0.924 25.474 1.00 70.41 C +ATOM 231 O GLY A 34 9.445 0.503 26.607 1.00 68.02 O +ATOM 232 N GLU A 35 10.890 1.044 24.946 1.00 64.00 N +ATOM 233 CA GLU A 35 12.103 0.697 25.685 1.00 71.71 C +ATOM 234 C GLU A 35 12.244 1.560 26.940 1.00 70.04 C +ATOM 235 O GLU A 35 11.838 2.725 27.002 1.00 67.95 O +ATOM 236 CB GLU A 35 13.353 0.799 24.800 1.00 68.03 C +ATOM 237 CG GLU A 35 13.313 -0.242 23.654 1.00 62.71 C +ATOM 238 CD GLU A 35 14.637 -0.311 22.870 1.00 58.49 C +ATOM 239 OE1 GLU A 35 14.848 -1.369 22.241 1.00 54.40 O +ATOM 240 OE2 GLU A 35 15.401 0.673 22.919 1.00 53.87 O +ATOM 241 N ARG A 36 12.807 0.948 28.002 1.00 67.79 N +ATOM 242 CA ARG A 36 13.064 1.646 29.267 1.00 73.95 C +ATOM 243 C ARG A 36 14.128 2.712 29.034 1.00 70.87 C +ATOM 244 O ARG A 36 15.208 2.392 28.558 1.00 65.52 O +ATOM 245 CB ARG A 36 13.486 0.617 30.319 1.00 70.82 C +ATOM 246 CG ARG A 36 13.726 1.253 31.699 1.00 68.06 C +ATOM 247 CD ARG A 36 14.101 0.168 32.703 1.00 66.32 C +ATOM 248 NE ARG A 36 14.315 0.706 34.051 1.00 63.16 N +ATOM 249 CZ ARG A 36 14.575 0.007 35.142 1.00 59.23 C +ATOM 250 NH1 ARG A 36 14.683 -1.291 35.099 1.00 58.48 N +ATOM 251 NH2 ARG A 36 14.725 0.611 36.275 1.00 56.93 N +ATOM 252 N GLY A 37 13.843 3.961 29.419 1.00 62.56 N +ATOM 253 CA GLY A 37 14.815 5.051 29.317 1.00 64.59 C +ATOM 254 C GLY A 37 16.124 4.718 30.043 1.00 66.11 C +ATOM 255 O GLY A 37 16.116 4.082 31.096 1.00 63.96 O +ATOM 256 N GLU A 38 17.258 5.182 29.482 1.00 61.85 N +ATOM 257 CA GLU A 38 18.587 4.984 30.052 1.00 69.78 C +ATOM 258 C GLU A 38 18.692 5.604 31.445 1.00 68.24 C +ATOM 259 O GLU A 38 18.091 6.628 31.768 1.00 66.14 O +ATOM 260 CB GLU A 38 19.685 5.534 29.127 1.00 66.28 C +ATOM 261 CG GLU A 38 19.782 4.768 27.796 1.00 60.20 C +ATOM 262 CD GLU A 38 21.009 5.194 26.963 1.00 55.91 C +ATOM 263 OE1 GLU A 38 21.392 4.402 26.075 1.00 52.49 O +ATOM 264 OE2 GLU A 38 21.558 6.290 27.234 1.00 51.95 O +ATOM 265 N GLN A 39 19.481 4.951 32.318 1.00 67.65 N +ATOM 266 CA GLN A 39 19.730 5.452 33.663 1.00 73.15 C +ATOM 267 C GLN A 39 20.516 6.764 33.593 1.00 70.55 C +ATOM 268 O GLN A 39 21.558 6.836 32.951 1.00 66.15 O +ATOM 269 CB GLN A 39 20.452 4.372 34.475 1.00 71.85 C +ATOM 270 CG GLN A 39 20.693 4.792 35.935 1.00 70.12 C +ATOM 271 CD GLN A 39 21.316 3.683 36.787 1.00 66.85 C +ATOM 272 OE1 GLN A 39 21.462 2.540 36.405 1.00 65.79 O +ATOM 273 NE2 GLN A 39 21.705 3.995 38.010 1.00 62.85 N +ATOM 274 N GLY A 40 20.033 7.801 34.285 1.00 60.68 N +ATOM 275 CA GLY A 40 20.726 9.086 34.341 1.00 62.99 C +ATOM 276 C GLY A 40 22.161 8.955 34.875 1.00 63.03 C +ATOM 277 O GLY A 40 22.443 8.078 35.696 1.00 61.46 O +ATOM 278 N PRO A 41 23.090 9.848 34.441 1.00 62.98 N +ATOM 279 CA PRO A 41 24.485 9.798 34.858 1.00 67.94 C +ATOM 280 C PRO A 41 24.619 9.987 36.369 1.00 66.33 C +ATOM 281 O PRO A 41 23.888 10.750 37.002 1.00 64.44 O +ATOM 282 CB PRO A 41 25.204 10.897 34.066 1.00 66.20 C +ATOM 283 CG PRO A 41 24.094 11.890 33.753 1.00 63.17 C +ATOM 284 CD PRO A 41 22.863 10.994 33.567 1.00 63.92 C +ATOM 285 N THR A 42 25.615 9.305 36.970 1.00 65.98 N +ATOM 286 CA THR A 42 25.953 9.470 38.385 1.00 69.73 C +ATOM 287 C THR A 42 26.408 10.913 38.642 1.00 66.67 C +ATOM 288 O THR A 42 27.273 11.423 37.937 1.00 63.40 O +ATOM 289 CB THR A 42 27.062 8.485 38.794 1.00 68.21 C +ATOM 290 OG1 THR A 42 26.663 7.166 38.491 1.00 65.31 O +ATOM 291 CG2 THR A 42 27.376 8.518 40.288 1.00 64.14 C +ATOM 292 N GLY A 43 25.848 11.551 39.672 1.00 59.66 N +ATOM 293 CA GLY A 43 26.247 12.905 40.057 1.00 62.31 C +ATOM 294 C GLY A 43 27.748 13.001 40.384 1.00 63.02 C +ATOM 295 O GLY A 43 28.340 12.029 40.852 1.00 61.89 O +ATOM 296 N PRO A 44 28.373 14.181 40.173 1.00 61.58 N +ATOM 297 CA PRO A 44 29.785 14.383 40.470 1.00 66.90 C +ATOM 298 C PRO A 44 30.070 14.192 41.965 1.00 65.69 C +ATOM 299 O PRO A 44 29.240 14.494 42.822 1.00 63.97 O +ATOM 300 CB PRO A 44 30.114 15.797 39.989 1.00 65.66 C +ATOM 301 CG PRO A 44 28.769 16.520 40.057 1.00 62.99 C +ATOM 302 CD PRO A 44 27.766 15.424 39.709 1.00 63.09 C +ATOM 303 N ALA A 45 31.286 13.699 42.288 1.00 67.56 N +ATOM 304 CA ALA A 45 31.732 13.600 43.674 1.00 72.63 C +ATOM 305 C ALA A 45 31.764 14.988 44.336 1.00 70.96 C +ATOM 306 O ALA A 45 32.189 15.968 43.723 1.00 67.09 O +ATOM 307 CB ALA A 45 33.106 12.920 43.716 1.00 70.20 C +ATOM 308 N GLY A 46 31.332 15.059 45.596 1.00 62.49 N +ATOM 309 CA GLY A 46 31.376 16.307 46.355 1.00 65.35 C +ATOM 310 C GLY A 46 32.793 16.878 46.441 1.00 65.44 C +ATOM 311 O GLY A 46 33.767 16.125 46.457 1.00 64.02 O +ATOM 312 N PRO A 47 32.949 18.226 46.506 1.00 61.87 N +ATOM 313 CA PRO A 47 34.254 18.856 46.602 1.00 67.48 C +ATOM 314 C PRO A 47 34.977 18.414 47.880 1.00 65.89 C +ATOM 315 O PRO A 47 34.371 18.230 48.934 1.00 63.50 O +ATOM 316 CB PRO A 47 33.997 20.362 46.563 1.00 65.51 C +ATOM 317 CG PRO A 47 32.574 20.499 47.091 1.00 62.99 C +ATOM 318 CD PRO A 47 31.890 19.228 46.589 1.00 63.67 C +ATOM 319 N ARG A 48 36.316 18.259 47.765 1.00 60.57 N +ATOM 320 CA ARG A 48 37.157 17.975 48.924 1.00 66.98 C +ATOM 321 C ARG A 48 37.050 19.133 49.917 1.00 63.19 C +ATOM 322 O ARG A 48 37.208 20.284 49.529 1.00 59.83 O +ATOM 323 CB ARG A 48 38.597 17.749 48.446 1.00 65.42 C +ATOM 324 CG ARG A 48 39.542 17.316 49.571 1.00 61.09 C +ATOM 325 CD ARG A 48 40.932 17.045 48.999 1.00 61.68 C +ATOM 326 NE ARG A 48 41.884 16.613 50.034 1.00 57.59 N +ATOM 327 CZ ARG A 48 43.141 16.253 49.848 1.00 51.75 C +ATOM 328 NH1 ARG A 48 43.686 16.258 48.662 1.00 52.06 N +ATOM 329 NH2 ARG A 48 43.871 15.888 50.852 1.00 49.62 N +ATOM 330 N GLY A 49 36.802 18.822 51.203 1.00 62.07 N +ATOM 331 CA GLY A 49 36.772 19.836 52.256 1.00 63.85 C +ATOM 332 C GLY A 49 38.056 20.673 52.274 1.00 63.54 C +ATOM 333 O GLY A 49 39.144 20.136 52.077 1.00 61.11 O +ATOM 334 N LEU A 50 37.914 21.995 52.493 1.00 58.23 N +ATOM 335 CA LEU A 50 39.055 22.901 52.602 1.00 64.59 C +ATOM 336 C LEU A 50 39.898 22.516 53.822 1.00 62.71 C +ATOM 337 O LEU A 50 39.375 22.165 54.876 1.00 60.52 O +ATOM 338 CB LEU A 50 38.576 24.363 52.678 1.00 62.45 C +ATOM 339 CG LEU A 50 37.866 24.882 51.413 1.00 57.87 C +ATOM 340 CD1 LEU A 50 37.328 26.293 51.648 1.00 55.35 C +ATOM 341 CD2 LEU A 50 38.798 24.921 50.200 1.00 53.65 C +ATOM 342 N GLN A 51 41.234 22.581 53.662 1.00 61.60 N +ATOM 343 CA GLN A 51 42.161 22.383 54.770 1.00 66.51 C +ATOM 344 C GLN A 51 41.964 23.520 55.777 1.00 61.95 C +ATOM 345 O GLN A 51 42.012 24.684 55.402 1.00 58.81 O +ATOM 346 CB GLN A 51 43.589 22.326 54.209 1.00 64.74 C +ATOM 347 CG GLN A 51 44.646 22.074 55.291 1.00 60.83 C +ATOM 348 CD GLN A 51 46.053 21.886 54.708 1.00 57.97 C +ATOM 349 OE1 GLN A 51 46.283 21.756 53.515 1.00 57.11 O +ATOM 350 NE2 GLN A 51 47.064 21.835 55.546 1.00 54.47 N +ATOM 351 N GLY A 52 41.719 23.180 57.046 1.00 58.91 N +ATOM 352 CA GLY A 52 41.593 24.183 58.104 1.00 60.43 C +ATOM 353 C GLY A 52 42.856 25.032 58.210 1.00 60.11 C +ATOM 354 O GLY A 52 43.967 24.515 58.073 1.00 58.24 O +ATOM 355 N GLU A 53 42.687 26.345 58.462 1.00 52.20 N +ATOM 356 CA GLU A 53 43.800 27.255 58.714 1.00 58.50 C +ATOM 357 C GLU A 53 44.562 26.819 59.970 1.00 56.91 C +ATOM 358 O GLU A 53 43.997 26.300 60.937 1.00 55.72 O +ATOM 359 CB GLU A 53 43.324 28.710 58.820 1.00 56.91 C +ATOM 360 CG GLU A 53 42.765 29.220 57.474 1.00 52.69 C +ATOM 361 CD GLU A 53 42.478 30.743 57.472 1.00 49.67 C +ATOM 362 OE1 GLU A 53 42.404 31.299 56.349 1.00 47.01 O +ATOM 363 OE2 GLU A 53 42.333 31.317 58.565 1.00 47.08 O +ATOM 364 N ARG A 54 45.886 26.984 59.924 1.00 57.07 N +ATOM 365 CA ARG A 54 46.769 26.601 61.027 1.00 62.05 C +ATOM 366 C ARG A 54 46.487 27.491 62.234 1.00 58.27 C +ATOM 367 O ARG A 54 46.808 28.667 62.207 1.00 55.87 O +ATOM 368 CB ARG A 54 48.225 26.712 60.547 1.00 60.47 C +ATOM 369 CG ARG A 54 49.244 26.271 61.606 1.00 55.49 C +ATOM 370 CD ARG A 54 50.658 26.387 61.018 1.00 56.94 C +ATOM 371 NE ARG A 54 51.690 25.953 61.970 1.00 54.20 N +ATOM 372 CZ ARG A 54 52.986 25.862 61.735 1.00 49.86 C +ATOM 373 NH1 ARG A 54 53.492 26.186 60.575 1.00 50.41 N +ATOM 374 NH2 ARG A 54 53.799 25.452 62.659 1.00 48.74 N +ATOM 375 N GLY A 55 45.930 26.912 63.311 1.00 52.78 N +ATOM 376 CA GLY A 55 45.789 27.608 64.587 1.00 54.26 C +ATOM 377 C GLY A 55 47.150 27.963 65.182 1.00 53.51 C +ATOM 378 O GLY A 55 48.114 27.202 65.046 1.00 52.01 O +ATOM 379 N GLU A 56 47.236 29.143 65.861 1.00 48.26 N +ATOM 380 CA GLU A 56 48.416 29.527 66.634 1.00 52.77 C +ATOM 381 C GLU A 56 48.707 28.507 67.740 1.00 51.32 C +ATOM 382 O GLU A 56 47.818 27.885 68.327 1.00 51.39 O +ATOM 383 CB GLU A 56 48.284 30.946 67.205 1.00 52.19 C +ATOM 384 CG GLU A 56 48.324 32.025 66.100 1.00 47.93 C +ATOM 385 CD GLU A 56 48.449 33.458 66.662 1.00 45.61 C +ATOM 386 OE1 GLU A 56 48.940 34.326 65.899 1.00 43.58 O +ATOM 387 OE2 GLU A 56 48.070 33.661 67.831 1.00 43.98 O +ATOM 388 N GLN A 57 50.000 28.309 67.990 1.00 52.05 N +ATOM 389 CA GLN A 57 50.517 27.185 68.761 1.00 55.69 C +ATOM 390 C GLN A 57 50.165 27.307 70.254 1.00 53.25 C +ATOM 391 O GLN A 57 50.812 28.016 71.008 1.00 51.89 O +ATOM 392 CB GLN A 57 52.031 27.129 68.485 1.00 55.33 C +ATOM 393 CG GLN A 57 52.742 25.928 69.121 1.00 51.06 C +ATOM 394 CD GLN A 57 54.213 25.855 68.713 1.00 49.65 C +ATOM 395 OE1 GLN A 57 54.745 26.615 67.925 1.00 49.85 O +ATOM 396 NE2 GLN A 57 54.957 24.895 69.242 1.00 47.03 N +ATOM 397 N GLY A 58 49.191 26.511 70.703 1.00 42.95 N +ATOM 398 CA GLY A 58 49.045 26.117 72.101 1.00 45.96 C +ATOM 399 C GLY A 58 49.803 24.809 72.390 1.00 44.33 C +ATOM 400 O GLY A 58 50.079 24.054 71.461 1.00 43.41 O +ATOM 401 N PRO A 59 50.194 24.548 73.726 1.00 42.56 N +ATOM 402 CA PRO A 59 51.035 23.402 74.063 1.00 48.01 C +ATOM 403 C PRO A 59 50.388 22.072 73.648 1.00 45.62 C +ATOM 404 O PRO A 59 49.175 21.883 73.729 1.00 46.18 O +ATOM 405 CB PRO A 59 51.279 23.494 75.577 1.00 49.44 C +ATOM 406 CG PRO A 59 50.077 24.281 76.085 1.00 48.53 C +ATOM 407 CD PRO A 59 49.764 25.241 74.934 1.00 50.34 C +ATOM 408 N THR A 60 51.236 21.174 73.213 1.00 42.77 N +ATOM 409 CA THR A 60 50.947 19.968 72.438 1.00 46.33 C +ATOM 410 C THR A 60 49.888 19.056 73.067 1.00 44.77 C +ATOM 411 O THR A 60 50.158 18.307 74.004 1.00 45.00 O +ATOM 412 CB THR A 60 52.258 19.183 72.252 1.00 47.19 C +ATOM 413 OG1 THR A 60 53.320 20.062 71.940 1.00 44.09 O +ATOM 414 CG2 THR A 60 52.185 18.152 71.141 1.00 44.41 C +ATOM 415 N GLY A 61 48.696 19.048 72.500 1.00 40.18 N +ATOM 416 CA GLY A 61 47.725 17.967 72.655 1.00 43.07 C +ATOM 417 C GLY A 61 47.858 16.965 71.507 1.00 41.88 C +ATOM 418 O GLY A 61 48.176 17.346 70.386 1.00 41.11 O +ATOM 419 N LEU A 62 47.671 15.681 71.852 1.00 41.05 N +ATOM 420 CA LEU A 62 47.798 14.585 70.889 1.00 47.09 C +ATOM 421 C LEU A 62 46.959 14.837 69.625 1.00 45.03 C +ATOM 422 O LEU A 62 45.804 15.244 69.706 1.00 45.46 O +ATOM 423 CB LEU A 62 47.363 13.264 71.560 1.00 47.02 C +ATOM 424 CG LEU A 62 48.317 12.755 72.661 1.00 44.32 C +ATOM 425 CD1 LEU A 62 47.637 11.674 73.498 1.00 42.44 C +ATOM 426 CD2 LEU A 62 49.599 12.175 72.069 1.00 41.26 C +ATOM 427 N ALA A 63 47.549 14.575 68.483 1.00 44.51 N +ATOM 428 CA ALA A 63 46.879 14.749 67.204 1.00 48.28 C +ATOM 429 C ALA A 63 45.556 13.961 67.140 1.00 47.25 C +ATOM 430 O ALA A 63 45.536 12.740 67.308 1.00 47.02 O +ATOM 431 CB ALA A 63 47.842 14.327 66.080 1.00 47.57 C +ATOM 432 N GLY A 64 44.477 14.657 66.907 1.00 42.07 N +ATOM 433 CA GLY A 64 43.192 14.025 66.635 1.00 44.97 C +ATOM 434 C GLY A 64 43.266 13.167 65.366 1.00 43.93 C +ATOM 435 O GLY A 64 43.932 13.540 64.397 1.00 42.97 O +ATOM 436 N LYS A 65 42.618 12.009 65.404 1.00 46.41 N +ATOM 437 CA LYS A 65 42.529 11.140 64.219 1.00 53.46 C +ATOM 438 C LYS A 65 41.858 11.901 63.066 1.00 49.11 C +ATOM 439 O LYS A 65 40.901 12.633 63.288 1.00 49.95 O +ATOM 440 CB LYS A 65 41.758 9.847 64.540 1.00 53.81 C +ATOM 441 CG LYS A 65 42.509 8.914 65.504 1.00 50.39 C +ATOM 442 CD LYS A 65 41.707 7.623 65.740 1.00 48.31 C +ATOM 443 CE LYS A 65 42.444 6.691 66.690 1.00 45.28 C +ATOM 444 NZ LYS A 65 41.670 5.441 66.941 1.00 40.52 N +ATOM 445 N ALA A 66 42.392 11.731 61.891 1.00 50.74 N +ATOM 446 CA ALA A 66 41.773 12.299 60.698 1.00 55.63 C +ATOM 447 C ALA A 66 40.298 11.875 60.607 1.00 53.72 C +ATOM 448 O ALA A 66 39.970 10.714 60.834 1.00 51.84 O +ATOM 449 CB ALA A 66 42.566 11.842 59.461 1.00 54.12 C +ATOM 450 N GLY A 67 39.434 12.831 60.311 1.00 47.65 N +ATOM 451 CA GLY A 67 38.009 12.559 60.117 1.00 51.74 C +ATOM 452 C GLY A 67 37.784 11.564 58.968 1.00 51.58 C +ATOM 453 O GLY A 67 38.511 11.587 57.974 1.00 50.42 O +ATOM 454 N GLU A 68 36.813 10.713 59.172 1.00 48.05 N +ATOM 455 CA GLU A 68 36.445 9.740 58.143 1.00 53.93 C +ATOM 456 C GLU A 68 35.988 10.445 56.856 1.00 50.41 C +ATOM 457 O GLU A 68 35.379 11.520 56.880 1.00 51.23 O +ATOM 458 CB GLU A 68 35.363 8.775 58.653 1.00 54.53 C +ATOM 459 CG GLU A 68 35.898 7.846 59.765 1.00 50.26 C +ATOM 460 CD GLU A 68 34.886 6.793 60.235 1.00 47.55 C +ATOM 461 OE1 GLU A 68 35.350 5.799 60.841 1.00 45.88 O +ATOM 462 OE2 GLU A 68 33.676 6.988 60.021 1.00 46.87 O +ATOM 463 N ALA A 69 36.329 9.855 55.736 1.00 55.57 N +ATOM 464 CA ALA A 69 35.911 10.381 54.443 1.00 61.60 C +ATOM 465 C ALA A 69 34.371 10.450 54.364 1.00 59.47 C +ATOM 466 O ALA A 69 33.680 9.517 54.758 1.00 56.84 O +ATOM 467 CB ALA A 69 36.497 9.506 53.331 1.00 60.23 C +ATOM 468 N GLY A 70 33.873 11.564 53.875 1.00 51.96 N +ATOM 469 CA GLY A 70 32.435 11.748 53.707 1.00 55.62 C +ATOM 470 C GLY A 70 31.810 10.620 52.873 1.00 55.67 C +ATOM 471 O GLY A 70 32.401 10.167 51.893 1.00 54.29 O +ATOM 472 N ALA A 71 30.637 10.190 53.303 1.00 51.25 N +ATOM 473 CA ALA A 71 29.906 9.149 52.592 1.00 57.32 C +ATOM 474 C ALA A 71 29.635 9.558 51.133 1.00 54.48 C +ATOM 475 O ALA A 71 29.327 10.716 50.838 1.00 53.28 O +ATOM 476 CB ALA A 71 28.611 8.830 53.353 1.00 56.45 C +ATOM 477 N LYS A 72 29.758 8.602 50.225 1.00 57.40 N +ATOM 478 CA LYS A 72 29.434 8.788 48.809 1.00 65.34 C +ATOM 479 C LYS A 72 27.982 9.250 48.677 1.00 61.12 C +ATOM 480 O LYS A 72 27.090 8.654 49.276 1.00 59.08 O +ATOM 481 CB LYS A 72 29.698 7.462 48.065 1.00 63.37 C +ATOM 482 CG LYS A 72 29.472 7.556 46.534 1.00 60.44 C +ATOM 483 CD LYS A 72 29.818 6.231 45.855 1.00 59.91 C +ATOM 484 CE LYS A 72 29.571 6.336 44.347 1.00 56.25 C +ATOM 485 NZ LYS A 72 29.856 5.064 43.647 1.00 51.13 N +ATOM 486 N GLY A 73 27.764 10.307 47.938 1.00 52.78 N +ATOM 487 CA GLY A 73 26.409 10.810 47.683 1.00 55.52 C +ATOM 488 C GLY A 73 25.505 9.734 47.082 1.00 55.66 C +ATOM 489 O GLY A 73 25.959 8.905 46.290 1.00 53.57 O +ATOM 490 N GLU A 74 24.254 9.749 47.509 1.00 51.38 N +ATOM 491 CA GLU A 74 23.258 8.815 46.976 1.00 57.51 C +ATOM 492 C GLU A 74 23.024 9.034 45.478 1.00 54.77 C +ATOM 493 O GLU A 74 23.055 10.160 44.969 1.00 53.90 O +ATOM 494 CB GLU A 74 21.934 8.932 47.743 1.00 56.79 C +ATOM 495 CG GLU A 74 22.055 8.502 49.218 1.00 53.55 C +ATOM 496 CD GLU A 74 20.716 8.539 49.970 1.00 50.23 C +ATOM 497 OE1 GLU A 74 20.635 7.844 51.008 1.00 48.33 O +ATOM 498 OE2 GLU A 74 19.796 9.271 49.527 1.00 48.43 O +ATOM 499 N THR A 75 22.805 7.954 44.793 1.00 56.16 N +ATOM 500 CA THR A 75 22.447 7.992 43.370 1.00 60.01 C +ATOM 501 C THR A 75 21.112 8.722 43.205 1.00 57.40 C +ATOM 502 O THR A 75 20.156 8.433 43.914 1.00 55.43 O +ATOM 503 CB THR A 75 22.356 6.576 42.795 1.00 60.12 C +ATOM 504 OG1 THR A 75 23.565 5.887 43.032 1.00 58.73 O +ATOM 505 CG2 THR A 75 22.123 6.542 41.287 1.00 57.25 C +ATOM 506 N GLY A 76 21.055 9.670 42.289 1.00 53.99 N +ATOM 507 CA GLY A 76 19.818 10.389 41.988 1.00 55.84 C +ATOM 508 C GLY A 76 18.679 9.440 41.592 1.00 56.31 C +ATOM 509 O GLY A 76 18.937 8.363 41.050 1.00 54.75 O +ATOM 510 N PRO A 77 17.435 9.818 41.889 1.00 56.36 N +ATOM 511 CA PRO A 77 16.289 8.996 41.535 1.00 60.20 C +ATOM 512 C PRO A 77 16.230 8.784 40.020 1.00 57.75 C +ATOM 513 O PRO A 77 16.578 9.663 39.229 1.00 56.74 O +ATOM 514 CB PRO A 77 15.056 9.731 42.071 1.00 60.08 C +ATOM 515 CG PRO A 77 15.498 11.187 42.102 1.00 58.02 C +ATOM 516 CD PRO A 77 16.989 11.098 42.449 1.00 58.56 C +ATOM 517 N ALA A 78 15.761 7.608 39.623 1.00 57.85 N +ATOM 518 CA ALA A 78 15.516 7.335 38.212 1.00 63.04 C +ATOM 519 C ALA A 78 14.465 8.302 37.652 1.00 60.87 C +ATOM 520 O ALA A 78 13.483 8.617 38.322 1.00 57.43 O +ATOM 521 CB ALA A 78 15.076 5.871 38.061 1.00 61.92 C +ATOM 522 N GLY A 79 14.687 8.767 36.440 1.00 54.46 N +ATOM 523 CA GLY A 79 13.724 9.617 35.748 1.00 57.07 C +ATOM 524 C GLY A 79 12.359 8.932 35.607 1.00 58.74 C +ATOM 525 O GLY A 79 12.280 7.702 35.589 1.00 57.76 O +ATOM 526 N PRO A 80 11.280 9.726 35.542 1.00 60.99 N +ATOM 527 CA PRO A 80 9.949 9.174 35.373 1.00 64.96 C +ATOM 528 C PRO A 80 9.854 8.352 34.078 1.00 63.86 C +ATOM 529 O PRO A 80 10.479 8.676 33.065 1.00 61.84 O +ATOM 530 CB PRO A 80 8.991 10.377 35.382 1.00 63.17 C +ATOM 531 CG PRO A 80 9.863 11.531 34.908 1.00 59.41 C +ATOM 532 CD PRO A 80 11.240 11.188 35.483 1.00 58.84 C +ATOM 533 N GLN A 81 9.055 7.295 34.143 1.00 60.22 N +ATOM 534 CA GLN A 81 8.781 6.481 32.962 1.00 66.73 C +ATOM 535 C GLN A 81 8.084 7.335 31.895 1.00 63.99 C +ATOM 536 O GLN A 81 7.129 8.044 32.198 1.00 60.22 O +ATOM 537 CB GLN A 81 7.941 5.269 33.383 1.00 65.58 C +ATOM 538 CG GLN A 81 7.673 4.292 32.231 1.00 64.61 C +ATOM 539 CD GLN A 81 6.901 3.041 32.659 1.00 62.25 C +ATOM 540 OE1 GLN A 81 6.580 2.814 33.814 1.00 62.16 O +ATOM 541 NE2 GLN A 81 6.577 2.171 31.740 1.00 58.42 N +ATOM 542 N GLY A 82 8.562 7.257 30.671 1.00 57.25 N +ATOM 543 CA GLY A 82 7.933 7.952 29.553 1.00 59.78 C +ATOM 544 C GLY A 82 6.459 7.557 29.382 1.00 61.80 C +ATOM 545 O GLY A 82 6.074 6.436 29.728 1.00 60.08 O +ATOM 546 N PRO A 83 5.624 8.475 28.877 1.00 63.27 N +ATOM 547 CA PRO A 83 4.219 8.172 28.644 1.00 67.05 C +ATOM 548 C PRO A 83 4.077 6.990 27.681 1.00 66.99 C +ATOM 549 O PRO A 83 4.866 6.814 26.744 1.00 65.05 O +ATOM 550 CB PRO A 83 3.601 9.462 28.091 1.00 64.61 C +ATOM 551 CG PRO A 83 4.782 10.176 27.444 1.00 60.71 C +ATOM 552 CD PRO A 83 5.961 9.790 28.348 1.00 60.46 C +ATOM 553 N ARG A 84 3.039 6.180 27.915 1.00 62.85 N +ATOM 554 CA ARG A 84 2.694 5.085 27.009 1.00 69.78 C +ATOM 555 C ARG A 84 2.364 5.650 25.627 1.00 67.19 C +ATOM 556 O ARG A 84 1.578 6.586 25.535 1.00 63.25 O +ATOM 557 CB ARG A 84 1.515 4.301 27.608 1.00 66.85 C +ATOM 558 CG ARG A 84 1.114 3.074 26.775 1.00 63.79 C +ATOM 559 CD ARG A 84 -0.027 2.315 27.460 1.00 62.84 C +ATOM 560 NE ARG A 84 -0.436 1.138 26.692 1.00 60.12 N +ATOM 561 CZ ARG A 84 -1.357 0.248 27.037 1.00 55.01 C +ATOM 562 NH1 ARG A 84 -2.032 0.361 28.154 1.00 54.84 N +ATOM 563 NH2 ARG A 84 -1.617 -0.759 26.267 1.00 54.22 N +ATOM 564 N GLY A 85 2.945 5.070 24.594 1.00 57.35 N +ATOM 565 CA GLY A 85 2.628 5.447 23.217 1.00 59.86 C +ATOM 566 C GLY A 85 1.128 5.350 22.937 1.00 62.12 C +ATOM 567 O GLY A 85 0.453 4.447 23.441 1.00 59.74 O +ATOM 568 N GLU A 86 0.610 6.307 22.175 1.00 57.37 N +ATOM 569 CA GLU A 86 -0.796 6.284 21.766 1.00 64.78 C +ATOM 570 C GLU A 86 -1.086 5.036 20.924 1.00 63.02 C +ATOM 571 O GLU A 86 -0.258 4.563 20.147 1.00 60.89 O +ATOM 572 CB GLU A 86 -1.196 7.579 21.028 1.00 62.02 C +ATOM 573 CG GLU A 86 -1.163 8.816 21.955 1.00 56.96 C +ATOM 574 CD GLU A 86 -1.733 10.103 21.307 1.00 52.57 C +ATOM 575 OE1 GLU A 86 -2.032 11.048 22.080 1.00 49.83 O +ATOM 576 OE2 GLU A 86 -1.865 10.151 20.069 1.00 49.25 O +ATOM 577 N GLN A 87 -2.292 4.486 21.118 1.00 60.95 N +ATOM 578 CA GLN A 87 -2.741 3.358 20.314 1.00 65.65 C +ATOM 579 C GLN A 87 -2.905 3.806 18.859 1.00 62.46 C +ATOM 580 O GLN A 87 -3.552 4.811 18.599 1.00 59.12 O +ATOM 581 CB GLN A 87 -4.045 2.818 20.923 1.00 65.15 C +ATOM 582 CG GLN A 87 -4.586 1.577 20.190 1.00 63.53 C +ATOM 583 CD GLN A 87 -5.828 0.992 20.847 1.00 61.19 C +ATOM 584 OE1 GLN A 87 -6.246 1.339 21.937 1.00 61.60 O +ATOM 585 NE2 GLN A 87 -6.477 0.033 20.205 1.00 58.05 N +ATOM 586 N GLY A 88 -2.323 3.064 17.936 1.00 56.07 N +ATOM 587 CA GLY A 88 -2.478 3.348 16.511 1.00 59.05 C +ATOM 588 C GLY A 88 -3.954 3.390 16.092 1.00 60.21 C +ATOM 589 O GLY A 88 -4.784 2.692 16.682 1.00 58.33 O +ATOM 590 N PRO A 89 -4.297 4.213 15.088 1.00 57.68 N +ATOM 591 CA PRO A 89 -5.668 4.312 14.614 1.00 62.26 C +ATOM 592 C PRO A 89 -6.182 2.947 14.149 1.00 60.65 C +ATOM 593 O PRO A 89 -5.454 2.154 13.548 1.00 58.25 O +ATOM 594 CB PRO A 89 -5.652 5.353 13.494 1.00 60.98 C +ATOM 595 CG PRO A 89 -4.212 5.311 12.986 1.00 57.59 C +ATOM 596 CD PRO A 89 -3.413 4.996 14.248 1.00 57.38 C +ATOM 597 N GLN A 90 -7.453 2.673 14.446 1.00 56.80 N +ATOM 598 CA GLN A 90 -8.104 1.455 13.980 1.00 62.04 C +ATOM 599 C GLN A 90 -8.144 1.455 12.450 1.00 58.87 C +ATOM 600 O GLN A 90 -8.578 2.426 11.841 1.00 56.51 O +ATOM 601 CB GLN A 90 -9.497 1.377 14.609 1.00 61.63 C +ATOM 602 CG GLN A 90 -10.238 0.077 14.252 1.00 59.14 C +ATOM 603 CD GLN A 90 -11.591 -0.057 14.948 1.00 57.31 C +ATOM 604 OE1 GLN A 90 -12.007 0.732 15.778 1.00 56.21 O +ATOM 605 NE2 GLN A 90 -12.341 -1.093 14.638 1.00 52.63 N +ATOM 606 N GLY A 91 -7.712 0.358 11.841 1.00 52.44 N +ATOM 607 CA GLY A 91 -7.792 0.200 10.392 1.00 55.31 C +ATOM 608 C GLY A 91 -9.225 0.408 9.889 1.00 55.91 C +ATOM 609 O GLY A 91 -10.188 -0.012 10.527 1.00 53.72 O +ATOM 610 N LEU A 92 -9.355 1.098 8.755 1.00 53.01 N +ATOM 611 CA LEU A 92 -10.656 1.332 8.144 1.00 58.16 C +ATOM 612 C LEU A 92 -11.335 -0.011 7.791 1.00 56.84 C +ATOM 613 O LEU A 92 -10.652 -0.947 7.379 1.00 55.90 O +ATOM 614 CB LEU A 92 -10.525 2.233 6.906 1.00 56.70 C +ATOM 615 CG LEU A 92 -10.076 3.673 7.193 1.00 53.81 C +ATOM 616 CD1 LEU A 92 -9.857 4.427 5.876 1.00 52.05 C +ATOM 617 CD2 LEU A 92 -11.107 4.454 8.014 1.00 50.47 C +ATOM 618 N PRO A 93 -12.667 -0.101 7.935 1.00 56.00 N +ATOM 619 CA PRO A 93 -13.410 -1.266 7.465 1.00 59.60 C +ATOM 620 C PRO A 93 -13.122 -1.515 5.979 1.00 57.26 C +ATOM 621 O PRO A 93 -13.164 -0.588 5.176 1.00 56.48 O +ATOM 622 CB PRO A 93 -14.888 -0.954 7.706 1.00 59.85 C +ATOM 623 CG PRO A 93 -14.874 0.111 8.808 1.00 57.35 C +ATOM 624 CD PRO A 93 -13.583 0.873 8.540 1.00 58.83 C +ATOM 625 N GLY A 94 -12.853 -2.769 5.626 1.00 50.71 N +ATOM 626 CA GLY A 94 -12.707 -3.136 4.221 1.00 53.65 C +ATOM 627 C GLY A 94 -13.950 -2.739 3.418 1.00 53.72 C +ATOM 628 O GLY A 94 -15.075 -2.908 3.883 1.00 52.57 O +ATOM 629 N ALA A 95 -13.737 -2.202 2.213 1.00 49.61 N +ATOM 630 CA ALA A 95 -14.826 -1.859 1.314 1.00 54.13 C +ATOM 631 C ALA A 95 -15.700 -3.098 1.045 1.00 54.16 C +ATOM 632 O ALA A 95 -15.202 -4.213 0.862 1.00 52.54 O +ATOM 633 CB ALA A 95 -14.260 -1.242 0.027 1.00 51.74 C +ATOM 634 N ARG A 96 -17.020 -2.904 1.057 1.00 51.26 N +ATOM 635 CA ARG A 96 -17.964 -3.969 0.711 1.00 55.66 C +ATOM 636 C ARG A 96 -17.710 -4.389 -0.736 1.00 53.11 C +ATOM 637 O ARG A 96 -17.852 -3.564 -1.622 1.00 52.23 O +ATOM 638 CB ARG A 96 -19.396 -3.463 0.929 1.00 55.08 C +ATOM 639 CG ARG A 96 -20.450 -4.533 0.615 1.00 51.02 C +ATOM 640 CD ARG A 96 -21.849 -3.979 0.907 1.00 51.52 C +ATOM 641 NE ARG A 96 -22.899 -4.965 0.640 1.00 50.11 N +ATOM 642 CZ ARG A 96 -24.182 -4.822 0.914 1.00 45.78 C +ATOM 643 NH1 ARG A 96 -24.652 -3.738 1.463 1.00 46.43 N +ATOM 644 NH2 ARG A 96 -25.021 -5.769 0.622 1.00 45.31 N +ATOM 645 N GLY A 97 -17.376 -5.657 -0.938 1.00 47.67 N +ATOM 646 CA GLY A 97 -17.162 -6.175 -2.287 1.00 49.78 C +ATOM 647 C GLY A 97 -18.382 -5.939 -3.175 1.00 49.82 C +ATOM 648 O GLY A 97 -19.504 -6.272 -2.786 1.00 48.81 O +ATOM 649 N GLU A 98 -18.164 -5.350 -4.353 1.00 42.90 N +ATOM 650 CA GLU A 98 -19.204 -5.218 -5.362 1.00 47.33 C +ATOM 651 C GLU A 98 -19.545 -6.583 -5.967 1.00 46.62 C +ATOM 652 O GLU A 98 -18.738 -7.522 -5.979 1.00 46.24 O +ATOM 653 CB GLU A 98 -18.833 -4.187 -6.426 1.00 46.61 C +ATOM 654 CG GLU A 98 -18.720 -2.774 -5.814 1.00 42.61 C +ATOM 655 CD GLU A 98 -18.803 -1.653 -6.858 1.00 39.69 C +ATOM 656 OE1 GLU A 98 -19.188 -0.539 -6.443 1.00 37.36 O +ATOM 657 OE2 GLU A 98 -18.559 -1.933 -8.045 1.00 38.08 O +ATOM 658 N ARG A 99 -20.801 -6.726 -6.397 1.00 49.26 N +ATOM 659 CA ARG A 99 -21.295 -7.976 -6.997 1.00 52.49 C +ATOM 660 C ARG A 99 -20.560 -8.217 -8.325 1.00 49.97 C +ATOM 661 O ARG A 99 -20.770 -7.475 -9.271 1.00 49.86 O +ATOM 662 CB ARG A 99 -22.823 -7.882 -7.159 1.00 53.22 C +ATOM 663 CG ARG A 99 -23.423 -9.137 -7.802 1.00 49.67 C +ATOM 664 CD ARG A 99 -24.942 -9.004 -8.026 1.00 50.44 C +ATOM 665 NE ARG A 99 -25.715 -9.153 -6.785 1.00 49.45 N +ATOM 666 CZ ARG A 99 -27.035 -9.052 -6.680 1.00 44.48 C +ATOM 667 NH1 ARG A 99 -27.788 -8.731 -7.694 1.00 46.11 N +ATOM 668 NH2 ARG A 99 -27.615 -9.275 -5.538 1.00 44.68 N +ATOM 669 N GLY A 100 -19.721 -9.264 -8.379 1.00 45.37 N +ATOM 670 CA GLY A 100 -18.968 -9.598 -9.581 1.00 46.32 C +ATOM 671 C GLY A 100 -19.857 -9.966 -10.774 1.00 46.10 C +ATOM 672 O GLY A 100 -20.819 -10.725 -10.622 1.00 45.07 O +ATOM 673 N PHE A 101 -19.513 -9.454 -11.959 1.00 44.58 N +ATOM 674 CA PHE A 101 -20.023 -9.942 -13.237 1.00 48.81 C +ATOM 675 C PHE A 101 -19.264 -11.220 -13.669 1.00 48.35 C +ATOM 676 O PHE A 101 -18.119 -11.410 -13.268 1.00 48.67 O +ATOM 677 CB PHE A 101 -19.925 -8.838 -14.294 1.00 48.22 C +ATOM 678 CG PHE A 101 -20.956 -7.745 -14.138 1.00 45.96 C +ATOM 679 CD1 PHE A 101 -22.249 -7.903 -14.685 1.00 43.51 C +ATOM 680 CD2 PHE A 101 -20.647 -6.555 -13.442 1.00 41.57 C +ATOM 681 CE1 PHE A 101 -23.211 -6.896 -14.540 1.00 38.81 C +ATOM 682 CE2 PHE A 101 -21.616 -5.547 -13.294 1.00 40.10 C +ATOM 683 CZ PHE A 101 -22.888 -5.720 -13.850 1.00 40.02 C +ATOM 684 N PRO A 102 -19.874 -12.111 -14.480 1.00 49.80 N +ATOM 685 CA PRO A 102 -19.218 -13.341 -14.915 1.00 53.16 C +ATOM 686 C PRO A 102 -18.068 -13.039 -15.887 1.00 50.99 C +ATOM 687 O PRO A 102 -18.298 -12.670 -17.034 1.00 51.26 O +ATOM 688 CB PRO A 102 -20.307 -14.215 -15.549 1.00 53.89 C +ATOM 689 CG PRO A 102 -21.625 -13.529 -15.196 1.00 51.61 C +ATOM 690 CD PRO A 102 -21.224 -12.070 -15.008 1.00 53.65 C +ATOM 691 N GLY A 103 -16.837 -13.236 -15.439 1.00 44.39 N +ATOM 692 CA GLY A 103 -15.623 -13.158 -16.252 1.00 46.98 C +ATOM 693 C GLY A 103 -14.434 -13.592 -15.398 1.00 46.10 C +ATOM 694 O GLY A 103 -14.449 -13.381 -14.187 1.00 45.39 O +ATOM 695 N GLU A 104 -13.448 -14.301 -15.996 1.00 42.32 N +ATOM 696 CA GLU A 104 -12.382 -14.991 -15.271 1.00 46.23 C +ATOM 697 C GLU A 104 -11.712 -14.125 -14.195 1.00 45.31 C +ATOM 698 O GLU A 104 -11.389 -12.955 -14.384 1.00 45.27 O +ATOM 699 CB GLU A 104 -11.345 -15.545 -16.252 1.00 45.82 C +ATOM 700 CG GLU A 104 -11.935 -16.679 -17.116 1.00 41.57 C +ATOM 701 CD GLU A 104 -10.888 -17.321 -18.043 1.00 38.77 C +ATOM 702 OE1 GLU A 104 -11.085 -18.516 -18.358 1.00 36.64 O +ATOM 703 OE2 GLU A 104 -9.934 -16.622 -18.420 1.00 37.69 O +ATOM 704 N ARG A 105 -11.512 -14.763 -13.033 1.00 46.07 N +ATOM 705 CA ARG A 105 -11.082 -14.162 -11.768 1.00 48.75 C +ATOM 706 C ARG A 105 -9.706 -13.497 -11.922 1.00 46.99 C +ATOM 707 O ARG A 105 -8.690 -14.169 -11.872 1.00 47.14 O +ATOM 708 CB ARG A 105 -11.083 -15.295 -10.737 1.00 49.24 C +ATOM 709 CG ARG A 105 -10.919 -14.850 -9.282 1.00 44.95 C +ATOM 710 CD ARG A 105 -10.965 -16.112 -8.403 1.00 44.67 C +ATOM 711 NE ARG A 105 -11.101 -15.803 -6.979 1.00 43.55 N +ATOM 712 CZ ARG A 105 -11.209 -16.689 -6.000 1.00 39.91 C +ATOM 713 NH1 ARG A 105 -11.144 -17.968 -6.226 1.00 41.36 N +ATOM 714 NH2 ARG A 105 -11.391 -16.301 -4.779 1.00 40.30 N +ATOM 715 N GLY A 106 -9.676 -12.170 -12.027 1.00 49.04 N +ATOM 716 CA GLY A 106 -8.448 -11.405 -11.826 1.00 50.54 C +ATOM 717 C GLY A 106 -7.868 -11.703 -10.439 1.00 49.77 C +ATOM 718 O GLY A 106 -8.596 -11.743 -9.449 1.00 48.81 O +ATOM 719 N VAL A 107 -6.552 -11.968 -10.384 1.00 47.08 N +ATOM 720 CA VAL A 107 -5.844 -12.139 -9.117 1.00 52.05 C +ATOM 721 C VAL A 107 -5.967 -10.848 -8.297 1.00 50.79 C +ATOM 722 O VAL A 107 -5.653 -9.767 -8.764 1.00 50.18 O +ATOM 723 CB VAL A 107 -4.368 -12.566 -9.303 1.00 51.25 C +ATOM 724 CG1 VAL A 107 -4.262 -14.093 -9.287 1.00 47.89 C +ATOM 725 CG2 VAL A 107 -3.735 -12.048 -10.601 1.00 47.79 C +ATOM 726 N GLN A 108 -6.467 -10.996 -7.064 1.00 53.01 N +ATOM 727 CA GLN A 108 -6.573 -9.899 -6.120 1.00 57.83 C +ATOM 728 C GLN A 108 -5.188 -9.291 -5.879 1.00 56.29 C +ATOM 729 O GLN A 108 -4.253 -10.015 -5.530 1.00 54.85 O +ATOM 730 CB GLN A 108 -7.207 -10.445 -4.833 1.00 57.07 C +ATOM 731 CG GLN A 108 -7.433 -9.384 -3.748 1.00 53.34 C +ATOM 732 CD GLN A 108 -8.155 -9.937 -2.514 1.00 51.37 C +ATOM 733 OE1 GLN A 108 -8.568 -11.081 -2.441 1.00 51.26 O +ATOM 734 NE2 GLN A 108 -8.346 -9.122 -1.507 1.00 48.02 N +ATOM 735 N GLY A 109 -5.041 -7.976 -6.072 1.00 55.58 N +ATOM 736 CA GLY A 109 -3.807 -7.267 -5.744 1.00 57.87 C +ATOM 737 C GLY A 109 -3.471 -7.414 -4.251 1.00 57.63 C +ATOM 738 O GLY A 109 -4.388 -7.515 -3.431 1.00 56.61 O +ATOM 739 N PRO A 110 -2.170 -7.466 -3.886 1.00 52.65 N +ATOM 740 CA PRO A 110 -1.780 -7.582 -2.496 1.00 57.85 C +ATOM 741 C PRO A 110 -2.300 -6.379 -1.689 1.00 55.64 C +ATOM 742 O PRO A 110 -2.382 -5.270 -2.227 1.00 55.29 O +ATOM 743 CB PRO A 110 -0.255 -7.675 -2.491 1.00 58.34 C +ATOM 744 CG PRO A 110 0.145 -6.966 -3.784 1.00 56.47 C +ATOM 745 CD PRO A 110 -1.003 -7.295 -4.735 1.00 57.20 C +ATOM 746 N PRO A 111 -2.628 -6.567 -0.384 1.00 56.57 N +ATOM 747 CA PRO A 111 -2.974 -5.464 0.504 1.00 60.88 C +ATOM 748 C PRO A 111 -1.869 -4.397 0.510 1.00 58.16 C +ATOM 749 O PRO A 111 -0.685 -4.732 0.506 1.00 57.25 O +ATOM 750 CB PRO A 111 -3.163 -6.080 1.894 1.00 61.53 C +ATOM 751 CG PRO A 111 -3.453 -7.546 1.611 1.00 57.64 C +ATOM 752 CD PRO A 111 -2.669 -7.840 0.340 1.00 59.96 C +ATOM 753 N GLY A 112 -2.260 -3.115 0.539 1.00 56.52 N +ATOM 754 CA GLY A 112 -1.316 -2.021 0.753 1.00 59.03 C +ATOM 755 C GLY A 112 -0.563 -2.200 2.075 1.00 58.86 C +ATOM 756 O GLY A 112 -1.140 -2.676 3.049 1.00 57.54 O +ATOM 757 N LYS A 113 0.735 -1.849 2.085 1.00 54.78 N +ATOM 758 CA LYS A 113 1.533 -1.925 3.315 1.00 61.00 C +ATOM 759 C LYS A 113 1.032 -0.882 4.321 1.00 57.99 C +ATOM 760 O LYS A 113 0.702 0.238 3.930 1.00 57.20 O +ATOM 761 CB LYS A 113 3.023 -1.727 3.019 1.00 58.96 C +ATOM 762 CG LYS A 113 3.613 -2.864 2.172 1.00 55.24 C +ATOM 763 CD LYS A 113 5.114 -2.632 1.941 1.00 53.08 C +ATOM 764 CE LYS A 113 5.704 -3.745 1.070 1.00 50.43 C +ATOM 765 NZ LYS A 113 7.129 -3.492 0.785 1.00 44.80 N +ATOM 766 N ASP A 114 1.029 -1.248 5.605 1.00 58.51 N +ATOM 767 CA ASP A 114 0.735 -0.318 6.687 1.00 64.38 C +ATOM 768 C ASP A 114 1.700 0.871 6.649 1.00 62.42 C +ATOM 769 O ASP A 114 2.881 0.723 6.333 1.00 58.55 O +ATOM 770 CB ASP A 114 0.795 -1.040 8.046 1.00 61.04 C +ATOM 771 CG ASP A 114 -0.263 -2.126 8.220 1.00 57.15 C +ATOM 772 OD1 ASP A 114 -1.379 -1.962 7.669 1.00 54.05 O +ATOM 773 OD2 ASP A 114 0.034 -3.125 8.911 1.00 51.73 O +ATOM 774 N GLY A 115 1.191 2.081 6.959 1.00 58.48 N +ATOM 775 CA GLY A 115 2.020 3.279 7.068 1.00 59.75 C +ATOM 776 C GLY A 115 3.075 3.118 8.168 1.00 59.60 C +ATOM 777 O GLY A 115 2.805 2.537 9.216 1.00 57.39 O +ATOM 778 N GLU A 116 4.292 3.637 7.920 1.00 51.79 N +ATOM 779 CA GLU A 116 5.356 3.617 8.921 1.00 57.00 C +ATOM 780 C GLU A 116 4.934 4.407 10.172 1.00 54.61 C +ATOM 781 O GLU A 116 4.296 5.463 10.094 1.00 53.86 O +ATOM 782 CB GLU A 116 6.682 4.140 8.350 1.00 56.43 C +ATOM 783 CG GLU A 116 7.266 3.198 7.279 1.00 52.67 C +ATOM 784 CD GLU A 116 8.651 3.625 6.765 1.00 49.42 C +ATOM 785 OE1 GLU A 116 9.314 2.763 6.141 1.00 48.22 O +ATOM 786 OE2 GLU A 116 9.042 4.791 6.973 1.00 47.89 O +ATOM 787 N ALA A 117 5.294 3.885 11.364 1.00 61.29 N +ATOM 788 CA ALA A 117 5.038 4.567 12.622 1.00 65.13 C +ATOM 789 C ALA A 117 5.747 5.934 12.654 1.00 63.87 C +ATOM 790 O ALA A 117 6.909 6.050 12.275 1.00 60.58 O +ATOM 791 CB ALA A 117 5.468 3.666 13.783 1.00 62.91 C +ATOM 792 N GLY A 118 5.041 6.972 13.137 1.00 54.55 N +ATOM 793 CA GLY A 118 5.629 8.303 13.304 1.00 56.72 C +ATOM 794 C GLY A 118 6.847 8.274 14.235 1.00 57.19 C +ATOM 795 O GLY A 118 6.868 7.530 15.218 1.00 55.30 O +ATOM 796 N ALA A 119 7.860 9.101 13.939 1.00 54.10 N +ATOM 797 CA ALA A 119 9.067 9.208 14.749 1.00 59.45 C +ATOM 798 C ALA A 119 8.736 9.676 16.183 1.00 57.63 C +ATOM 799 O ALA A 119 7.882 10.536 16.403 1.00 56.24 O +ATOM 800 CB ALA A 119 10.066 10.146 14.058 1.00 58.20 C +ATOM 801 N GLN A 120 9.450 9.106 17.166 1.00 54.00 N +ATOM 802 CA GLN A 120 9.317 9.511 18.564 1.00 61.21 C +ATOM 803 C GLN A 120 9.726 10.988 18.731 1.00 59.38 C +ATOM 804 O GLN A 120 10.774 11.402 18.248 1.00 56.17 O +ATOM 805 CB GLN A 120 10.165 8.560 19.432 1.00 60.51 C +ATOM 806 CG GLN A 120 10.049 8.851 20.932 1.00 57.83 C +ATOM 807 CD GLN A 120 10.825 7.860 21.801 1.00 54.32 C +ATOM 808 OE1 GLN A 120 11.288 6.823 21.380 1.00 54.61 O +ATOM 809 NE2 GLN A 120 10.986 8.147 23.075 1.00 50.69 N +ATOM 810 N GLY A 121 8.909 11.766 19.452 1.00 53.16 N +ATOM 811 CA GLY A 121 9.223 13.165 19.761 1.00 55.96 C +ATOM 812 C GLY A 121 10.508 13.305 20.591 1.00 56.41 C +ATOM 813 O GLY A 121 10.850 12.392 21.343 1.00 55.23 O +ATOM 814 N PRO A 122 11.228 14.450 20.489 1.00 55.09 N +ATOM 815 CA PRO A 122 12.454 14.691 21.238 1.00 60.14 C +ATOM 816 C PRO A 122 12.206 14.655 22.747 1.00 57.59 C +ATOM 817 O PRO A 122 11.141 15.047 23.236 1.00 56.36 O +ATOM 818 CB PRO A 122 12.988 16.040 20.757 1.00 60.19 C +ATOM 819 CG PRO A 122 11.730 16.770 20.284 1.00 58.50 C +ATOM 820 CD PRO A 122 10.867 15.634 19.723 1.00 59.33 C +ATOM 821 N ALA A 123 13.228 14.222 23.521 1.00 59.46 N +ATOM 822 CA ALA A 123 13.179 14.270 24.980 1.00 64.91 C +ATOM 823 C ALA A 123 13.026 15.719 25.472 1.00 63.38 C +ATOM 824 O ALA A 123 13.666 16.628 24.955 1.00 59.24 O +ATOM 825 CB ALA A 123 14.438 13.601 25.552 1.00 63.10 C +ATOM 826 N GLY A 124 12.172 15.923 26.494 1.00 53.98 N +ATOM 827 CA GLY A 124 11.987 17.242 27.097 1.00 56.98 C +ATOM 828 C GLY A 124 13.284 17.783 27.717 1.00 57.43 C +ATOM 829 O GLY A 124 14.133 17.004 28.143 1.00 56.33 O +ATOM 830 N PRO A 125 13.452 19.126 27.796 1.00 54.20 N +ATOM 831 CA PRO A 125 14.641 19.741 28.375 1.00 59.22 C +ATOM 832 C PRO A 125 14.802 19.357 29.853 1.00 56.57 C +ATOM 833 O PRO A 125 13.827 19.200 30.588 1.00 55.45 O +ATOM 834 CB PRO A 125 14.475 21.247 28.169 1.00 59.14 C +ATOM 835 CG PRO A 125 12.959 21.433 28.099 1.00 56.93 C +ATOM 836 CD PRO A 125 12.482 20.147 27.420 1.00 56.78 C +ATOM 837 N MET A 126 16.076 19.254 30.309 1.00 57.69 N +ATOM 838 CA MET A 126 16.390 19.031 31.719 1.00 63.82 C +ATOM 839 C MET A 126 15.908 20.217 32.569 1.00 62.86 C +ATOM 840 O MET A 126 16.093 21.367 32.189 1.00 58.46 O +ATOM 841 CB MET A 126 17.907 18.806 31.869 1.00 61.98 C +ATOM 842 CG MET A 126 18.280 18.225 33.235 1.00 58.50 C +ATOM 843 SD MET A 126 20.035 17.757 33.373 1.00 56.19 S +ATOM 844 CE MET A 126 20.766 19.352 33.782 1.00 52.95 C +ATOM 845 N GLY A 127 15.288 19.932 33.733 1.00 54.28 N +ATOM 846 CA GLY A 127 14.847 20.977 34.662 1.00 57.48 C +ATOM 847 C GLY A 127 16.018 21.865 35.130 1.00 58.02 C +ATOM 848 O GLY A 127 17.159 21.416 35.138 1.00 56.58 O +ATOM 849 N PRO A 128 15.747 23.136 35.536 1.00 51.47 N +ATOM 850 CA PRO A 128 16.780 24.039 36.012 1.00 56.70 C +ATOM 851 C PRO A 128 17.487 23.464 37.245 1.00 54.16 C +ATOM 852 O PRO A 128 16.884 22.775 38.066 1.00 53.54 O +ATOM 853 CB PRO A 128 16.067 25.369 36.298 1.00 57.03 C +ATOM 854 CG PRO A 128 14.629 24.947 36.587 1.00 55.39 C +ATOM 855 CD PRO A 128 14.429 23.734 35.670 1.00 54.89 C +ATOM 856 N ALA A 129 18.788 23.766 37.382 1.00 58.36 N +ATOM 857 CA ALA A 129 19.537 23.403 38.574 1.00 64.01 C +ATOM 858 C ALA A 129 18.936 24.110 39.802 1.00 61.49 C +ATOM 859 O ALA A 129 18.610 25.290 39.735 1.00 58.06 O +ATOM 860 CB ALA A 129 21.016 23.762 38.379 1.00 61.80 C +ATOM 861 N GLY A 130 18.821 23.381 40.934 1.00 53.38 N +ATOM 862 CA GLY A 130 18.354 23.960 42.199 1.00 57.41 C +ATOM 863 C GLY A 130 19.234 25.131 42.651 1.00 58.49 C +ATOM 864 O GLY A 130 20.439 25.151 42.399 1.00 56.42 O +ATOM 865 N GLU A 131 18.623 26.123 43.331 1.00 47.60 N +ATOM 866 CA GLU A 131 19.332 27.291 43.849 1.00 54.92 C +ATOM 867 C GLU A 131 20.413 26.876 44.851 1.00 52.41 C +ATOM 868 O GLU A 131 20.297 25.901 45.598 1.00 51.63 O +ATOM 869 CB GLU A 131 18.368 28.316 44.450 1.00 54.25 C +ATOM 870 CG GLU A 131 17.447 28.934 43.374 1.00 50.23 C +ATOM 871 CD GLU A 131 16.601 30.112 43.895 1.00 46.71 C +ATOM 872 OE1 GLU A 131 16.111 30.874 43.030 1.00 43.85 O +ATOM 873 OE2 GLU A 131 16.464 30.235 45.129 1.00 45.27 O +ATOM 874 N ARG A 132 21.540 27.619 44.831 1.00 53.27 N +ATOM 875 CA ARG A 132 22.640 27.374 45.762 1.00 58.29 C +ATOM 876 C ARG A 132 22.188 27.748 47.171 1.00 54.37 C +ATOM 877 O ARG A 132 21.845 28.895 47.398 1.00 53.12 O +ATOM 878 CB ARG A 132 23.859 28.182 45.311 1.00 57.84 C +ATOM 879 CG ARG A 132 25.087 27.935 46.204 1.00 53.83 C +ATOM 880 CD ARG A 132 26.262 28.755 45.669 1.00 54.17 C +ATOM 881 NE ARG A 132 27.476 28.536 46.454 1.00 52.05 N +ATOM 882 CZ ARG A 132 28.679 29.023 46.192 1.00 48.21 C +ATOM 883 NH1 ARG A 132 28.882 29.803 45.168 1.00 48.71 N +ATOM 884 NH2 ARG A 132 29.687 28.727 46.957 1.00 47.14 N +ATOM 885 N GLY A 133 22.273 26.820 48.125 1.00 52.27 N +ATOM 886 CA GLY A 133 21.970 27.083 49.531 1.00 54.59 C +ATOM 887 C GLY A 133 22.745 28.276 50.096 1.00 54.72 C +ATOM 888 O GLY A 133 23.901 28.500 49.726 1.00 52.44 O +ATOM 889 N GLU A 134 22.101 29.052 50.993 1.00 44.63 N +ATOM 890 CA GLU A 134 22.691 30.231 51.616 1.00 50.22 C +ATOM 891 C GLU A 134 23.946 29.874 52.417 1.00 48.15 C +ATOM 892 O GLU A 134 24.107 28.780 52.964 1.00 48.03 O +ATOM 893 CB GLU A 134 21.674 30.972 52.496 1.00 50.03 C +ATOM 894 CG GLU A 134 20.516 31.573 51.666 1.00 46.23 C +ATOM 895 CD GLU A 134 19.608 32.514 52.480 1.00 43.15 C +ATOM 896 OE1 GLU A 134 18.951 33.363 51.839 1.00 40.76 O +ATOM 897 OE2 GLU A 134 19.603 32.386 53.723 1.00 42.54 O +ATOM 898 N LYS A 135 24.902 30.821 52.458 1.00 54.03 N +ATOM 899 CA LYS A 135 26.158 30.635 53.189 1.00 57.56 C +ATOM 900 C LYS A 135 25.849 30.596 54.687 1.00 53.36 C +ATOM 901 O LYS A 135 25.413 31.592 55.235 1.00 52.95 O +ATOM 902 CB LYS A 135 27.118 31.770 52.813 1.00 56.99 C +ATOM 903 CG LYS A 135 28.495 31.630 53.464 1.00 52.62 C +ATOM 904 CD LYS A 135 29.386 32.805 53.047 1.00 52.39 C +ATOM 905 CE LYS A 135 30.759 32.689 53.701 1.00 50.57 C +ATOM 906 NZ LYS A 135 31.602 33.856 53.390 1.00 46.42 N +ATOM 907 N GLY A 136 26.139 29.478 55.343 1.00 47.76 N +ATOM 908 CA GLY A 136 25.963 29.332 56.791 1.00 49.71 C +ATOM 909 C GLY A 136 26.782 30.349 57.597 1.00 50.16 C +ATOM 910 O GLY A 136 27.897 30.692 57.217 1.00 48.39 O +ATOM 911 N GLU A 137 26.230 30.843 58.751 1.00 36.41 N +ATOM 912 CA GLU A 137 26.898 31.750 59.673 1.00 40.88 C +ATOM 913 C GLU A 137 28.139 31.096 60.309 1.00 40.45 C +ATOM 914 O GLU A 137 28.157 29.899 60.598 1.00 40.56 O +ATOM 915 CB GLU A 137 25.941 32.245 60.765 1.00 40.22 C +ATOM 916 CG GLU A 137 24.827 33.171 60.226 1.00 36.20 C +ATOM 917 CD GLU A 137 24.019 33.853 61.340 1.00 32.64 C +ATOM 918 OE1 GLU A 137 23.462 34.937 61.060 1.00 30.20 O +ATOM 919 OE2 GLU A 137 23.976 33.301 62.467 1.00 33.38 O +ATOM 920 N PRO A 138 29.224 31.875 60.566 1.00 45.06 N +ATOM 921 CA PRO A 138 30.410 31.341 61.213 1.00 47.07 C +ATOM 922 C PRO A 138 30.124 31.034 62.682 1.00 44.75 C +ATOM 923 O PRO A 138 29.873 31.954 63.446 1.00 45.51 O +ATOM 924 CB PRO A 138 31.491 32.425 61.062 1.00 48.84 C +ATOM 925 CG PRO A 138 30.922 33.434 60.065 1.00 48.49 C +ATOM 926 CD PRO A 138 29.420 33.275 60.223 1.00 50.89 C +ATOM 927 N GLY A 139 30.241 29.763 63.098 1.00 41.58 N +ATOM 928 CA GLY A 139 30.365 29.470 64.529 1.00 44.02 C +ATOM 929 C GLY A 139 29.641 28.260 65.105 1.00 43.18 C +ATOM 930 O GLY A 139 29.743 28.058 66.306 1.00 42.31 O +ATOM 931 N THR A 140 29.013 27.441 64.386 1.00 37.82 N +ATOM 932 CA THR A 140 28.670 26.077 64.818 1.00 40.51 C +ATOM 933 C THR A 140 28.854 25.118 63.646 1.00 39.83 C +ATOM 934 O THR A 140 28.699 25.499 62.490 1.00 39.40 O +ATOM 935 CB THR A 140 27.253 25.960 65.410 1.00 40.18 C +ATOM 936 OG1 THR A 140 26.285 26.473 64.530 1.00 37.19 O +ATOM 937 CG2 THR A 140 27.086 26.695 66.735 1.00 36.01 C +ATOM 938 N GLN A 141 29.269 23.882 63.964 1.00 40.82 N +ATOM 939 CA GLN A 141 29.418 22.858 62.927 1.00 42.76 C +ATOM 940 C GLN A 141 28.086 22.737 62.167 1.00 41.53 C +ATOM 941 O GLN A 141 27.106 22.260 62.728 1.00 41.75 O +ATOM 942 CB GLN A 141 29.854 21.542 63.585 1.00 42.23 C +ATOM 943 CG GLN A 141 30.107 20.413 62.577 1.00 38.65 C +ATOM 944 CD GLN A 141 30.683 19.149 63.234 1.00 36.61 C +ATOM 945 OE1 GLN A 141 30.982 19.091 64.411 1.00 36.29 O +ATOM 946 NE2 GLN A 141 30.869 18.086 62.482 1.00 36.56 N +ATOM 947 N GLY A 142 28.069 23.232 60.964 1.00 41.17 N +ATOM 948 CA GLY A 142 26.841 23.344 60.193 1.00 42.39 C +ATOM 949 C GLY A 142 26.165 21.987 60.053 1.00 42.19 C +ATOM 950 O GLY A 142 26.818 20.998 59.724 1.00 41.23 O +ATOM 951 N ALA A 143 24.884 21.970 60.382 1.00 46.48 N +ATOM 952 CA ALA A 143 24.069 20.809 60.072 1.00 50.23 C +ATOM 953 C ALA A 143 24.227 20.456 58.586 1.00 49.29 C +ATOM 954 O ALA A 143 24.398 21.336 57.733 1.00 48.27 O +ATOM 955 CB ALA A 143 22.611 21.103 60.456 1.00 48.63 C +ATOM 956 N LYS A 144 24.240 19.169 58.304 1.00 51.72 N +ATOM 957 CA LYS A 144 24.253 18.683 56.920 1.00 55.23 C +ATOM 958 C LYS A 144 23.138 19.405 56.154 1.00 53.43 C +ATOM 959 O LYS A 144 21.993 19.325 56.575 1.00 52.88 O +ATOM 960 CB LYS A 144 24.056 17.157 56.936 1.00 54.27 C +ATOM 961 CG LYS A 144 24.072 16.509 55.544 1.00 49.12 C +ATOM 962 CD LYS A 144 23.887 14.991 55.660 1.00 49.07 C +ATOM 963 CE LYS A 144 23.876 14.329 54.278 1.00 47.93 C +ATOM 964 NZ LYS A 144 23.608 12.873 54.361 1.00 44.13 N +ATOM 965 N GLY A 145 23.498 20.118 55.118 1.00 50.68 N +ATOM 966 CA GLY A 145 22.517 20.867 54.331 1.00 52.38 C +ATOM 967 C GLY A 145 21.375 19.953 53.885 1.00 53.30 C +ATOM 968 O GLY A 145 21.623 18.806 53.500 1.00 51.62 O +ATOM 969 N ASP A 146 20.172 20.486 53.997 1.00 49.49 N +ATOM 970 CA ASP A 146 18.994 19.746 53.581 1.00 54.64 C +ATOM 971 C ASP A 146 19.106 19.338 52.107 1.00 53.80 C +ATOM 972 O ASP A 146 19.714 20.019 51.277 1.00 52.83 O +ATOM 973 CB ASP A 146 17.713 20.559 53.851 1.00 53.33 C +ATOM 974 CG ASP A 146 17.437 20.721 55.352 1.00 50.91 C +ATOM 975 OD1 ASP A 146 17.625 19.721 56.087 1.00 48.98 O +ATOM 976 OD2 ASP A 146 17.042 21.837 55.748 1.00 46.11 O +ATOM 977 N ARG A 147 18.564 18.189 51.814 1.00 56.74 N +ATOM 978 CA ARG A 147 18.526 17.677 50.439 1.00 61.93 C +ATOM 979 C ARG A 147 17.788 18.689 49.567 1.00 58.84 C +ATOM 980 O ARG A 147 16.640 18.998 49.851 1.00 56.76 O +ATOM 981 CB ARG A 147 17.839 16.301 50.445 1.00 60.53 C +ATOM 982 CG ARG A 147 17.773 15.649 49.055 1.00 55.76 C +ATOM 983 CD ARG A 147 17.121 14.271 49.189 1.00 56.59 C +ATOM 984 NE ARG A 147 17.063 13.546 47.914 1.00 54.44 N +ATOM 985 CZ ARG A 147 16.882 12.237 47.766 1.00 49.88 C +ATOM 986 NH1 ARG A 147 16.684 11.444 48.786 1.00 50.14 N +ATOM 987 NH2 ARG A 147 16.918 11.697 46.595 1.00 48.90 N +ATOM 988 N GLY A 148 18.450 19.195 48.552 1.00 56.66 N +ATOM 989 CA GLY A 148 17.822 20.128 47.620 1.00 57.89 C +ATOM 990 C GLY A 148 16.501 19.570 47.086 1.00 58.50 C +ATOM 991 O GLY A 148 16.410 18.372 46.797 1.00 56.25 O +ATOM 992 N GLU A 149 15.511 20.449 47.011 1.00 51.45 N +ATOM 993 CA GLU A 149 14.201 20.058 46.493 1.00 57.93 C +ATOM 994 C GLU A 149 14.323 19.501 45.077 1.00 56.35 C +ATOM 995 O GLU A 149 15.153 19.924 44.262 1.00 55.48 O +ATOM 996 CB GLU A 149 13.204 21.221 46.554 1.00 57.22 C +ATOM 997 CG GLU A 149 12.875 21.633 47.995 1.00 52.94 C +ATOM 998 CD GLU A 149 11.709 22.636 48.092 1.00 49.89 C +ATOM 999 OE1 GLU A 149 11.116 22.719 49.190 1.00 48.06 O +ATOM 1000 OE2 GLU A 149 11.395 23.285 47.065 1.00 47.69 O +ATOM 1001 N THR A 150 13.506 18.513 44.819 1.00 62.78 N +ATOM 1002 CA THR A 150 13.444 17.944 43.476 1.00 65.33 C +ATOM 1003 C THR A 150 12.996 19.031 42.504 1.00 62.21 C +ATOM 1004 O THR A 150 11.953 19.643 42.719 1.00 59.41 O +ATOM 1005 CB THR A 150 12.480 16.745 43.437 1.00 64.50 C +ATOM 1006 OG1 THR A 150 12.876 15.783 44.388 1.00 61.16 O +ATOM 1007 CG2 THR A 150 12.452 16.039 42.084 1.00 60.57 C +ATOM 1008 N GLY A 151 13.783 19.285 41.482 1.00 59.39 N +ATOM 1009 CA GLY A 151 13.429 20.283 40.468 1.00 60.30 C +ATOM 1010 C GLY A 151 12.048 20.006 39.861 1.00 60.51 C +ATOM 1011 O GLY A 151 11.618 18.849 39.793 1.00 58.97 O +ATOM 1012 N PRO A 152 11.352 21.067 39.433 1.00 58.57 N +ATOM 1013 CA PRO A 152 10.032 20.917 38.855 1.00 63.41 C +ATOM 1014 C PRO A 152 10.059 19.966 37.659 1.00 61.22 C +ATOM 1015 O PRO A 152 11.046 19.903 36.909 1.00 59.75 O +ATOM 1016 CB PRO A 152 9.569 22.326 38.479 1.00 62.78 C +ATOM 1017 CG PRO A 152 10.882 23.096 38.298 1.00 59.67 C +ATOM 1018 CD PRO A 152 11.804 22.450 39.336 1.00 59.60 C +ATOM 1019 N VAL A 153 8.972 19.241 37.494 1.00 65.32 N +ATOM 1020 CA VAL A 153 8.802 18.370 36.325 1.00 69.63 C +ATOM 1021 C VAL A 153 8.901 19.225 35.061 1.00 68.22 C +ATOM 1022 O VAL A 153 8.206 20.237 34.939 1.00 64.63 O +ATOM 1023 CB VAL A 153 7.458 17.616 36.386 1.00 66.81 C +ATOM 1024 CG1 VAL A 153 7.234 16.714 35.166 1.00 61.61 C +ATOM 1025 CG2 VAL A 153 7.387 16.721 37.630 1.00 62.01 C +ATOM 1026 N GLY A 154 9.781 18.848 34.165 1.00 59.96 N +ATOM 1027 CA GLY A 154 9.938 19.547 32.891 1.00 61.81 C +ATOM 1028 C GLY A 154 8.622 19.607 32.108 1.00 62.60 C +ATOM 1029 O GLY A 154 7.771 18.721 32.253 1.00 61.48 O +ATOM 1030 N PRO A 155 8.441 20.655 31.302 1.00 60.98 N +ATOM 1031 CA PRO A 155 7.235 20.786 30.496 1.00 66.15 C +ATOM 1032 C PRO A 155 7.043 19.549 29.607 1.00 64.46 C +ATOM 1033 O PRO A 155 8.009 18.930 29.145 1.00 61.73 O +ATOM 1034 CB PRO A 155 7.404 22.080 29.691 1.00 64.40 C +ATOM 1035 CG PRO A 155 8.919 22.258 29.620 1.00 61.06 C +ATOM 1036 CD PRO A 155 9.404 21.690 30.958 1.00 60.49 C +ATOM 1037 N ARG A 156 5.784 19.201 29.385 1.00 63.86 N +ATOM 1038 CA ARG A 156 5.447 18.110 28.466 1.00 70.65 C +ATOM 1039 C ARG A 156 6.036 18.410 27.088 1.00 68.17 C +ATOM 1040 O ARG A 156 5.822 19.499 26.573 1.00 63.11 O +ATOM 1041 CB ARG A 156 3.914 17.947 28.416 1.00 67.09 C +ATOM 1042 CG ARG A 156 3.465 16.787 27.515 1.00 62.77 C +ATOM 1043 CD ARG A 156 1.936 16.636 27.555 1.00 61.36 C +ATOM 1044 NE ARG A 156 1.480 15.558 26.685 1.00 58.58 N +ATOM 1045 CZ ARG A 156 0.224 15.150 26.509 1.00 52.74 C +ATOM 1046 NH1 ARG A 156 -0.773 15.713 27.147 1.00 52.81 N +ATOM 1047 NH2 ARG A 156 -0.057 14.177 25.685 1.00 51.49 N +ATOM 1048 N GLY A 157 6.756 17.451 26.535 1.00 59.47 N +ATOM 1049 CA GLY A 157 7.296 17.586 25.183 1.00 60.87 C +ATOM 1050 C GLY A 157 6.199 17.920 24.169 1.00 61.42 C +ATOM 1051 O GLY A 157 5.054 17.487 24.316 1.00 59.53 O +ATOM 1052 N GLU A 158 6.560 18.736 23.176 1.00 57.34 N +ATOM 1053 CA GLU A 158 5.641 19.092 22.101 1.00 64.22 C +ATOM 1054 C GLU A 158 5.192 17.844 21.341 1.00 62.04 C +ATOM 1055 O GLU A 158 5.920 16.855 21.213 1.00 59.62 O +ATOM 1056 CB GLU A 158 6.266 20.125 21.157 1.00 61.87 C +ATOM 1057 CG GLU A 158 6.514 21.467 21.878 1.00 57.42 C +ATOM 1058 CD GLU A 158 6.996 22.591 20.943 1.00 53.26 C +ATOM 1059 OE1 GLU A 158 6.905 23.760 21.384 1.00 51.06 O +ATOM 1060 OE2 GLU A 158 7.446 22.280 19.824 1.00 50.05 O +ATOM 1061 N ARG A 159 3.945 17.891 20.888 1.00 64.59 N +ATOM 1062 CA ARG A 159 3.395 16.801 20.085 1.00 70.06 C +ATOM 1063 C ARG A 159 4.226 16.654 18.812 1.00 67.38 C +ATOM 1064 O ARG A 159 4.403 17.635 18.105 1.00 62.79 O +ATOM 1065 CB ARG A 159 1.918 17.100 19.774 1.00 66.93 C +ATOM 1066 CG ARG A 159 1.236 15.939 19.041 1.00 62.78 C +ATOM 1067 CD ARG A 159 -0.240 16.273 18.785 1.00 61.82 C +ATOM 1068 NE ARG A 159 -0.946 15.141 18.192 1.00 59.19 N +ATOM 1069 CZ ARG A 159 -2.205 15.125 17.766 1.00 53.97 C +ATOM 1070 NH1 ARG A 159 -2.949 16.197 17.809 1.00 54.20 N +ATOM 1071 NH2 ARG A 159 -2.719 14.030 17.305 1.00 52.74 N +ATOM 1072 N GLY A 160 4.701 15.439 18.553 1.00 59.76 N +ATOM 1073 CA GLY A 160 5.425 15.166 17.310 1.00 60.37 C +ATOM 1074 C GLY A 160 4.606 15.560 16.080 1.00 60.30 C +ATOM 1075 O GLY A 160 3.376 15.438 16.078 1.00 58.19 O +ATOM 1076 N GLU A 161 5.301 16.067 15.051 1.00 56.47 N +ATOM 1077 CA GLU A 161 4.668 16.386 13.778 1.00 62.82 C +ATOM 1078 C GLU A 161 3.995 15.139 13.186 1.00 60.20 C +ATOM 1079 O GLU A 161 4.457 14.011 13.355 1.00 58.99 O +ATOM 1080 CB GLU A 161 5.676 16.981 12.790 1.00 61.46 C +ATOM 1081 CG GLU A 161 6.191 18.375 13.241 1.00 56.81 C +ATOM 1082 CD GLU A 161 7.086 19.058 12.193 1.00 53.36 C +ATOM 1083 OE1 GLU A 161 7.238 20.291 12.301 1.00 51.90 O +ATOM 1084 OE2 GLU A 161 7.605 18.356 11.296 1.00 51.15 O +ATOM 1085 N ALA A 162 2.869 15.365 12.538 1.00 65.59 N +ATOM 1086 CA ALA A 162 2.187 14.287 11.837 1.00 69.23 C +ATOM 1087 C ALA A 162 3.138 13.670 10.793 1.00 67.98 C +ATOM 1088 O ALA A 162 3.813 14.395 10.069 1.00 63.98 O +ATOM 1089 CB ALA A 162 0.898 14.816 11.199 1.00 66.89 C +ATOM 1090 N GLY A 163 3.177 12.347 10.748 1.00 58.98 N +ATOM 1091 CA GLY A 163 3.962 11.654 9.736 1.00 60.26 C +ATOM 1092 C GLY A 163 3.563 12.098 8.322 1.00 59.54 C +ATOM 1093 O GLY A 163 2.419 12.495 8.101 1.00 57.88 O +ATOM 1094 N PRO A 164 4.507 12.046 7.363 1.00 58.89 N +ATOM 1095 CA PRO A 164 4.214 12.407 5.986 1.00 63.12 C +ATOM 1096 C PRO A 164 3.050 11.560 5.452 1.00 61.19 C +ATOM 1097 O PRO A 164 2.907 10.387 5.811 1.00 59.26 O +ATOM 1098 CB PRO A 164 5.513 12.182 5.205 1.00 62.47 C +ATOM 1099 CG PRO A 164 6.256 11.143 6.042 1.00 60.18 C +ATOM 1100 CD PRO A 164 5.844 11.492 7.478 1.00 60.99 C +ATOM 1101 N ALA A 165 2.231 12.170 4.606 1.00 60.67 N +ATOM 1102 CA ALA A 165 1.163 11.441 3.929 1.00 65.34 C +ATOM 1103 C ALA A 165 1.753 10.224 3.187 1.00 62.86 C +ATOM 1104 O ALA A 165 2.827 10.314 2.586 1.00 59.63 O +ATOM 1105 CB ALA A 165 0.418 12.388 2.982 1.00 63.71 C +ATOM 1106 N GLY A 166 1.049 9.096 3.281 1.00 55.37 N +ATOM 1107 CA GLY A 166 1.434 7.908 2.535 1.00 57.68 C +ATOM 1108 C GLY A 166 1.556 8.216 1.039 1.00 57.61 C +ATOM 1109 O GLY A 166 0.804 9.039 0.519 1.00 55.85 O +ATOM 1110 N LYS A 167 2.532 7.593 0.377 1.00 56.77 N +ATOM 1111 CA LYS A 167 2.694 7.748 -1.073 1.00 63.03 C +ATOM 1112 C LYS A 167 1.426 7.269 -1.779 1.00 60.56 C +ATOM 1113 O LYS A 167 0.847 6.266 -1.377 1.00 59.02 O +ATOM 1114 CB LYS A 167 3.921 6.982 -1.573 1.00 60.51 C +ATOM 1115 CG LYS A 167 5.234 7.554 -1.028 1.00 56.54 C +ATOM 1116 CD LYS A 167 6.428 6.769 -1.573 1.00 54.25 C +ATOM 1117 CE LYS A 167 7.726 7.314 -0.987 1.00 51.52 C +ATOM 1118 NZ LYS A 167 8.896 6.515 -1.435 1.00 45.87 N +ATOM 1119 N ASP A 168 1.062 7.971 -2.844 1.00 60.14 N +ATOM 1120 CA ASP A 168 -0.043 7.554 -3.698 1.00 66.16 C +ATOM 1121 C ASP A 168 0.153 6.102 -4.146 1.00 64.61 C +ATOM 1122 O ASP A 168 1.271 5.656 -4.427 1.00 60.27 O +ATOM 1123 CB ASP A 168 -0.170 8.482 -4.913 1.00 62.82 C +ATOM 1124 CG ASP A 168 -0.558 9.925 -4.547 1.00 59.15 C +ATOM 1125 OD1 ASP A 168 -1.271 10.097 -3.532 1.00 56.43 O +ATOM 1126 OD2 ASP A 168 -0.121 10.842 -5.274 1.00 54.05 O +ATOM 1127 N GLY A 169 -0.958 5.338 -4.162 1.00 57.69 N +ATOM 1128 CA GLY A 169 -0.943 3.958 -4.618 1.00 59.89 C +ATOM 1129 C GLY A 169 -0.394 3.846 -6.043 1.00 60.11 C +ATOM 1130 O GLY A 169 -0.627 4.717 -6.885 1.00 57.72 O +ATOM 1131 N GLU A 170 0.351 2.787 -6.317 1.00 52.53 N +ATOM 1132 CA GLU A 170 0.864 2.533 -7.664 1.00 58.61 C +ATOM 1133 C GLU A 170 -0.289 2.444 -8.669 1.00 56.44 C +ATOM 1134 O GLU A 170 -1.362 1.901 -8.395 1.00 55.24 O +ATOM 1135 CB GLU A 170 1.736 1.274 -7.716 1.00 58.07 C +ATOM 1136 CG GLU A 170 3.056 1.438 -6.931 1.00 53.73 C +ATOM 1137 CD GLU A 170 4.030 0.266 -7.125 1.00 50.00 C +ATOM 1138 OE1 GLU A 170 5.219 0.458 -6.786 1.00 47.97 O +ATOM 1139 OE2 GLU A 170 3.603 -0.804 -7.595 1.00 47.22 O +ATOM 1140 N ARG A 171 -0.047 2.990 -9.860 1.00 59.08 N +ATOM 1141 CA ARG A 171 -1.006 2.942 -10.961 1.00 63.86 C +ATOM 1142 C ARG A 171 -1.393 1.488 -11.250 1.00 61.48 C +ATOM 1143 O ARG A 171 -0.524 0.655 -11.474 1.00 58.08 O +ATOM 1144 CB ARG A 171 -0.385 3.623 -12.187 1.00 62.49 C +ATOM 1145 CG ARG A 171 -1.337 3.692 -13.383 1.00 58.49 C +ATOM 1146 CD ARG A 171 -0.649 4.413 -14.543 1.00 58.07 C +ATOM 1147 NE ARG A 171 -1.522 4.511 -15.729 1.00 55.68 N +ATOM 1148 CZ ARG A 171 -1.216 5.090 -16.871 1.00 50.17 C +ATOM 1149 NH1 ARG A 171 -0.052 5.637 -17.070 1.00 50.62 N +ATOM 1150 NH2 ARG A 171 -2.087 5.131 -17.833 1.00 48.94 N +ATOM 1151 N GLY A 172 -2.701 1.209 -11.256 1.00 58.71 N +ATOM 1152 CA GLY A 172 -3.205 -0.120 -11.597 1.00 60.34 C +ATOM 1153 C GLY A 172 -2.678 -0.600 -12.959 1.00 60.84 C +ATOM 1154 O GLY A 172 -2.409 0.222 -13.843 1.00 59.21 O +ATOM 1155 N PRO A 173 -2.514 -1.924 -13.147 1.00 57.15 N +ATOM 1156 CA PRO A 173 -2.035 -2.472 -14.403 1.00 61.34 C +ATOM 1157 C PRO A 173 -2.968 -2.079 -15.554 1.00 58.62 C +ATOM 1158 O PRO A 173 -4.184 -1.977 -15.390 1.00 57.36 O +ATOM 1159 CB PRO A 173 -1.965 -3.987 -14.203 1.00 61.65 C +ATOM 1160 CG PRO A 173 -2.987 -4.245 -13.093 1.00 59.29 C +ATOM 1161 CD PRO A 173 -2.882 -2.983 -12.231 1.00 60.27 C +ATOM 1162 N VAL A 174 -2.375 -1.850 -16.733 1.00 63.34 N +ATOM 1163 CA VAL A 174 -3.143 -1.617 -17.961 1.00 68.00 C +ATOM 1164 C VAL A 174 -4.044 -2.830 -18.216 1.00 66.31 C +ATOM 1165 O VAL A 174 -3.573 -3.967 -18.147 1.00 62.69 O +ATOM 1166 CB VAL A 174 -2.204 -1.343 -19.160 1.00 65.79 C +ATOM 1167 CG1 VAL A 174 -2.966 -1.087 -20.458 1.00 60.42 C +ATOM 1168 CG2 VAL A 174 -1.323 -0.110 -18.899 1.00 61.32 C +ATOM 1169 N GLY A 175 -5.331 -2.584 -18.469 1.00 58.37 N +ATOM 1170 CA GLY A 175 -6.280 -3.652 -18.783 1.00 59.84 C +ATOM 1171 C GLY A 175 -5.818 -4.472 -20.006 1.00 59.73 C +ATOM 1172 O GLY A 175 -5.132 -3.929 -20.876 1.00 58.73 O +ATOM 1173 N PRO A 176 -6.169 -5.761 -20.081 1.00 57.29 N +ATOM 1174 CA PRO A 176 -5.801 -6.597 -21.215 1.00 62.13 C +ATOM 1175 C PRO A 176 -6.336 -6.001 -22.521 1.00 59.55 C +ATOM 1176 O PRO A 176 -7.426 -5.423 -22.549 1.00 58.22 O +ATOM 1177 CB PRO A 176 -6.384 -7.979 -20.918 1.00 62.34 C +ATOM 1178 CG PRO A 176 -7.551 -7.679 -19.985 1.00 60.13 C +ATOM 1179 CD PRO A 176 -7.060 -6.467 -19.183 1.00 60.18 C +ATOM 1180 N ALA A 177 -5.575 -6.172 -23.615 1.00 59.78 N +ATOM 1181 CA ALA A 177 -6.023 -5.773 -24.942 1.00 65.00 C +ATOM 1182 C ALA A 177 -7.365 -6.443 -25.283 1.00 61.99 C +ATOM 1183 O ALA A 177 -7.603 -7.606 -24.934 1.00 59.24 O +ATOM 1184 CB ALA A 177 -4.935 -6.103 -25.972 1.00 64.36 C +ATOM 1185 N GLY A 178 -8.253 -5.703 -25.953 1.00 57.39 N +ATOM 1186 CA GLY A 178 -9.508 -6.255 -26.451 1.00 59.75 C +ATOM 1187 C GLY A 178 -9.243 -7.446 -27.384 1.00 59.32 C +ATOM 1188 O GLY A 178 -8.270 -7.440 -28.126 1.00 58.24 O +ATOM 1189 N LYS A 179 -10.104 -8.457 -27.327 1.00 57.95 N +ATOM 1190 CA LYS A 179 -10.003 -9.601 -28.241 1.00 65.00 C +ATOM 1191 C LYS A 179 -10.252 -9.130 -29.675 1.00 62.18 C +ATOM 1192 O LYS A 179 -11.135 -8.304 -29.901 1.00 61.04 O +ATOM 1193 CB LYS A 179 -10.992 -10.709 -27.855 1.00 63.51 C +ATOM 1194 CG LYS A 179 -10.667 -11.336 -26.496 1.00 60.16 C +ATOM 1195 CD LYS A 179 -11.638 -12.484 -26.185 1.00 57.30 C +ATOM 1196 CE LYS A 179 -11.304 -13.085 -24.826 1.00 53.83 C +ATOM 1197 NZ LYS A 179 -12.211 -14.202 -24.469 1.00 47.71 N +ATOM 1198 N ASP A 180 -9.516 -9.719 -30.623 1.00 59.63 N +ATOM 1199 CA ASP A 180 -9.746 -9.481 -32.041 1.00 65.57 C +ATOM 1200 C ASP A 180 -11.205 -9.796 -32.414 1.00 62.54 C +ATOM 1201 O ASP A 180 -11.826 -10.722 -31.876 1.00 58.57 O +ATOM 1202 CB ASP A 180 -8.762 -10.307 -32.898 1.00 64.04 C +ATOM 1203 CG ASP A 180 -7.298 -9.932 -32.651 1.00 60.84 C +ATOM 1204 OD1 ASP A 180 -7.043 -8.758 -32.290 1.00 57.97 O +ATOM 1205 OD2 ASP A 180 -6.443 -10.836 -32.783 1.00 55.20 O +ATOM 1206 N GLY A 181 -11.767 -8.983 -33.320 1.00 61.17 N +ATOM 1207 CA GLY A 181 -13.105 -9.217 -33.847 1.00 63.03 C +ATOM 1208 C GLY A 181 -13.184 -10.582 -34.541 1.00 62.84 C +ATOM 1209 O GLY A 181 -12.245 -11.003 -35.202 1.00 60.74 O +ATOM 1210 N GLN A 182 -14.306 -11.274 -34.390 1.00 55.12 N +ATOM 1211 CA GLN A 182 -14.522 -12.517 -35.125 1.00 60.41 C +ATOM 1212 C GLN A 182 -14.615 -12.226 -36.629 1.00 58.52 C +ATOM 1213 O GLN A 182 -15.262 -11.261 -37.030 1.00 56.88 O +ATOM 1214 CB GLN A 182 -15.782 -13.248 -34.624 1.00 60.43 C +ATOM 1215 CG GLN A 182 -15.612 -13.778 -33.195 1.00 58.34 C +ATOM 1216 CD GLN A 182 -16.818 -14.561 -32.678 1.00 53.65 C +ATOM 1217 OE1 GLN A 182 -17.842 -14.728 -33.309 1.00 53.09 O +ATOM 1218 NE2 GLN A 182 -16.745 -15.088 -31.477 1.00 48.92 N +ATOM 1219 N ASN A 183 -13.998 -13.079 -37.446 1.00 61.27 N +ATOM 1220 CA ASN A 183 -14.122 -12.981 -38.896 1.00 66.57 C +ATOM 1221 C ASN A 183 -15.595 -13.078 -39.306 1.00 63.02 C +ATOM 1222 O ASN A 183 -16.368 -13.841 -38.725 1.00 59.58 O +ATOM 1223 CB ASN A 183 -13.277 -14.079 -39.573 1.00 64.30 C +ATOM 1224 CG ASN A 183 -11.774 -13.896 -39.389 1.00 60.58 C +ATOM 1225 OD1 ASN A 183 -11.298 -12.884 -38.907 1.00 59.11 O +ATOM 1226 ND2 ASN A 183 -10.981 -14.858 -39.762 1.00 55.47 N +ATOM 1227 N GLY A 184 -15.979 -12.292 -40.318 1.00 58.84 N +ATOM 1228 CA GLY A 184 -17.317 -12.387 -40.903 1.00 59.93 C +ATOM 1229 C GLY A 184 -17.575 -13.790 -41.470 1.00 59.82 C +ATOM 1230 O GLY A 184 -16.652 -14.442 -41.949 1.00 58.41 O +ATOM 1231 N GLN A 185 -18.820 -14.251 -41.397 1.00 51.60 N +ATOM 1232 CA GLN A 185 -19.193 -15.530 -42.006 1.00 57.11 C +ATOM 1233 C GLN A 185 -19.059 -15.457 -43.531 1.00 55.24 C +ATOM 1234 O GLN A 185 -19.398 -14.443 -44.141 1.00 54.59 O +ATOM 1235 CB GLN A 185 -20.626 -15.936 -41.610 1.00 57.46 C +ATOM 1236 CG GLN A 185 -20.744 -16.260 -40.110 1.00 55.02 C +ATOM 1237 CD GLN A 185 -22.136 -16.719 -39.690 1.00 51.22 C +ATOM 1238 OE1 GLN A 185 -23.084 -16.836 -40.448 1.00 50.20 O +ATOM 1239 NE2 GLN A 185 -22.335 -17.003 -38.422 1.00 46.57 N +ATOM 1240 N ASP A 186 -18.607 -16.556 -44.139 1.00 56.05 N +ATOM 1241 CA ASP A 186 -18.514 -16.665 -45.589 1.00 60.55 C +ATOM 1242 C ASP A 186 -19.880 -16.432 -46.239 1.00 57.20 C +ATOM 1243 O ASP A 186 -20.927 -16.860 -45.744 1.00 54.78 O +ATOM 1244 CB ASP A 186 -17.967 -18.046 -46.003 1.00 60.13 C +ATOM 1245 CG ASP A 186 -16.538 -18.302 -45.529 1.00 58.50 C +ATOM 1246 OD1 ASP A 186 -15.787 -17.309 -45.360 1.00 56.47 O +ATOM 1247 OD2 ASP A 186 -16.219 -19.493 -45.336 1.00 53.92 O +ATOM 1248 N GLY A 187 -19.876 -15.740 -47.381 1.00 58.27 N +ATOM 1249 CA GLY A 187 -21.093 -15.528 -48.162 1.00 58.80 C +ATOM 1250 C GLY A 187 -21.703 -16.866 -48.628 1.00 58.38 C +ATOM 1251 O GLY A 187 -20.982 -17.794 -48.988 1.00 56.21 O +ATOM 1252 N LEU A 188 -23.029 -16.943 -48.647 1.00 50.14 N +ATOM 1253 CA LEU A 188 -23.716 -18.127 -49.156 1.00 55.46 C +ATOM 1254 C LEU A 188 -23.340 -18.380 -50.630 1.00 53.81 C +ATOM 1255 O LEU A 188 -23.234 -17.418 -51.400 1.00 54.05 O +ATOM 1256 CB LEU A 188 -25.240 -17.973 -49.008 1.00 56.07 C +ATOM 1257 CG LEU A 188 -25.756 -17.976 -47.555 1.00 52.79 C +ATOM 1258 CD1 LEU A 188 -27.248 -17.661 -47.548 1.00 51.25 C +ATOM 1259 CD2 LEU A 188 -25.552 -19.325 -46.870 1.00 49.82 C +ATOM 1260 N PRO A 189 -23.208 -19.649 -51.058 1.00 55.02 N +ATOM 1261 CA PRO A 189 -22.986 -19.983 -52.460 1.00 58.01 C +ATOM 1262 C PRO A 189 -24.058 -19.356 -53.359 1.00 54.57 C +ATOM 1263 O PRO A 189 -25.248 -19.358 -53.026 1.00 54.47 O +ATOM 1264 CB PRO A 189 -22.997 -21.519 -52.549 1.00 59.11 C +ATOM 1265 CG PRO A 189 -22.593 -21.954 -51.137 1.00 55.45 C +ATOM 1266 CD PRO A 189 -23.188 -20.871 -50.248 1.00 56.22 C +ATOM 1267 N GLY A 190 -23.644 -18.835 -54.506 1.00 54.63 N +ATOM 1268 CA GLY A 190 -24.575 -18.353 -55.521 1.00 55.34 C +ATOM 1269 C GLY A 190 -25.500 -19.488 -55.994 1.00 54.79 C +ATOM 1270 O GLY A 190 -25.091 -20.639 -56.041 1.00 53.29 O +ATOM 1271 N LYS A 191 -26.753 -19.164 -56.340 1.00 48.49 N +ATOM 1272 CA LYS A 191 -27.684 -20.162 -56.903 1.00 54.20 C +ATOM 1273 C LYS A 191 -27.148 -20.651 -58.251 1.00 52.77 C +ATOM 1274 O LYS A 191 -26.735 -19.833 -59.066 1.00 52.73 O +ATOM 1275 CB LYS A 191 -29.098 -19.574 -57.060 1.00 54.62 C +ATOM 1276 CG LYS A 191 -29.757 -19.280 -55.710 1.00 51.62 C +ATOM 1277 CD LYS A 191 -31.177 -18.737 -55.911 1.00 49.54 C +ATOM 1278 CE LYS A 191 -31.815 -18.430 -54.559 1.00 46.33 C +ATOM 1279 NZ LYS A 191 -33.157 -17.835 -54.691 1.00 41.20 N +ATOM 1280 N ASP A 192 -27.240 -21.967 -58.492 1.00 49.34 N +ATOM 1281 CA ASP A 192 -26.839 -22.574 -59.757 1.00 52.85 C +ATOM 1282 C ASP A 192 -27.515 -21.885 -60.948 1.00 49.90 C +ATOM 1283 O ASP A 192 -28.732 -21.657 -60.964 1.00 49.11 O +ATOM 1284 CB ASP A 192 -27.150 -24.085 -59.755 1.00 52.63 C +ATOM 1285 CG ASP A 192 -26.413 -24.864 -58.657 1.00 49.39 C +ATOM 1286 OD1 ASP A 192 -25.298 -24.429 -58.296 1.00 46.65 O +ATOM 1287 OD2 ASP A 192 -26.999 -25.847 -58.171 1.00 45.35 O +ATOM 1288 N GLY A 193 -26.704 -21.513 -61.949 1.00 50.01 N +ATOM 1289 CA GLY A 193 -27.215 -21.006 -63.221 1.00 51.37 C +ATOM 1290 C GLY A 193 -27.999 -22.089 -63.950 1.00 51.14 C +ATOM 1291 O GLY A 193 -27.644 -23.264 -63.912 1.00 49.55 O +ATOM 1292 N LYS A 194 -29.094 -21.719 -64.650 1.00 43.47 N +ATOM 1293 CA LYS A 194 -29.812 -22.662 -65.515 1.00 49.33 C +ATOM 1294 C LYS A 194 -28.895 -23.140 -66.641 1.00 47.87 C +ATOM 1295 O LYS A 194 -28.203 -22.330 -67.244 1.00 47.84 O +ATOM 1296 CB LYS A 194 -31.093 -22.024 -66.083 1.00 50.04 C +ATOM 1297 CG LYS A 194 -32.173 -21.825 -65.009 1.00 46.77 C +ATOM 1298 CD LYS A 194 -33.440 -21.223 -65.634 1.00 44.99 C +ATOM 1299 CE LYS A 194 -34.517 -21.033 -64.574 1.00 40.97 C +ATOM 1300 NZ LYS A 194 -35.725 -20.377 -65.129 1.00 37.52 N +ATOM 1301 N ASP A 195 -28.934 -24.452 -66.936 1.00 46.31 N +ATOM 1302 CA ASP A 195 -28.033 -25.208 -67.805 1.00 50.79 C +ATOM 1303 C ASP A 195 -27.601 -24.478 -69.093 1.00 48.23 C +ATOM 1304 O ASP A 195 -28.356 -24.330 -70.057 1.00 47.83 O +ATOM 1305 CB ASP A 195 -28.685 -26.554 -68.158 1.00 51.47 C +ATOM 1306 CG ASP A 195 -28.905 -27.458 -66.944 1.00 48.06 C +ATOM 1307 OD1 ASP A 195 -28.001 -27.478 -66.082 1.00 45.60 O +ATOM 1308 OD2 ASP A 195 -29.969 -28.098 -66.900 1.00 43.96 O +ATOM 1309 N GLY A 196 -26.343 -24.093 -69.121 1.00 47.45 N +ATOM 1310 CA GLY A 196 -25.561 -23.735 -70.292 1.00 49.73 C +ATOM 1311 C GLY A 196 -24.129 -24.229 -70.063 1.00 49.12 C +ATOM 1312 O GLY A 196 -23.570 -24.011 -68.999 1.00 47.96 O +ATOM 1313 N GLN A 197 -23.586 -24.971 -71.055 1.00 42.51 N +ATOM 1314 CA GLN A 197 -22.376 -25.786 -70.913 1.00 47.61 C +ATOM 1315 C GLN A 197 -21.198 -25.064 -70.217 1.00 47.00 C +ATOM 1316 O GLN A 197 -20.734 -24.040 -70.684 1.00 46.67 O +ATOM 1317 CB GLN A 197 -21.937 -26.255 -72.310 1.00 47.91 C +ATOM 1318 CG GLN A 197 -22.913 -27.278 -72.926 1.00 44.93 C +ATOM 1319 CD GLN A 197 -22.584 -27.640 -74.374 1.00 41.29 C +ATOM 1320 OE1 GLN A 197 -21.744 -27.067 -75.035 1.00 39.07 O +ATOM 1321 NE2 GLN A 197 -23.275 -28.607 -74.936 1.00 37.87 N +ATOM 1322 N ASN A 198 -20.707 -25.710 -69.154 1.00 50.37 N +ATOM 1323 CA ASN A 198 -19.451 -25.480 -68.437 1.00 54.87 C +ATOM 1324 C ASN A 198 -18.919 -24.036 -68.423 1.00 52.73 C +ATOM 1325 O ASN A 198 -17.897 -23.713 -69.035 1.00 51.78 O +ATOM 1326 CB ASN A 198 -18.395 -26.500 -68.912 1.00 54.30 C +ATOM 1327 CG ASN A 198 -18.720 -27.933 -68.541 1.00 49.89 C +ATOM 1328 OD1 ASN A 198 -19.666 -28.241 -67.845 1.00 47.47 O +ATOM 1329 ND2 ASN A 198 -17.924 -28.879 -68.988 1.00 46.09 N +ATOM 1330 N GLY A 199 -19.544 -23.177 -67.636 1.00 52.91 N +ATOM 1331 CA GLY A 199 -18.871 -22.014 -67.065 1.00 54.53 C +ATOM 1332 C GLY A 199 -17.846 -22.478 -66.014 1.00 54.37 C +ATOM 1333 O GLY A 199 -18.108 -23.411 -65.265 1.00 52.60 O +ATOM 1334 N LYS A 200 -16.640 -21.890 -66.045 1.00 52.75 N +ATOM 1335 CA LYS A 200 -15.645 -22.172 -65.001 1.00 59.62 C +ATOM 1336 C LYS A 200 -16.230 -21.831 -63.634 1.00 58.88 C +ATOM 1337 O LYS A 200 -16.891 -20.803 -63.515 1.00 58.00 O +ATOM 1338 CB LYS A 200 -14.368 -21.353 -65.243 1.00 58.84 C +ATOM 1339 CG LYS A 200 -13.620 -21.767 -66.520 1.00 54.95 C +ATOM 1340 CD LYS A 200 -12.359 -20.910 -66.694 1.00 52.58 C +ATOM 1341 CE LYS A 200 -11.619 -21.335 -67.952 1.00 48.28 C +ATOM 1342 NZ LYS A 200 -10.383 -20.523 -68.152 1.00 42.39 N +ATOM 1343 N ASP A 201 -15.933 -22.666 -62.652 1.00 59.03 N +ATOM 1344 CA ASP A 201 -16.328 -22.421 -61.267 1.00 63.28 C +ATOM 1345 C ASP A 201 -16.047 -20.965 -60.875 1.00 61.94 C +ATOM 1346 O ASP A 201 -14.998 -20.398 -61.206 1.00 59.02 O +ATOM 1347 CB ASP A 201 -15.596 -23.390 -60.319 1.00 61.40 C +ATOM 1348 CG ASP A 201 -15.874 -24.865 -60.627 1.00 58.11 C +ATOM 1349 OD1 ASP A 201 -16.980 -25.155 -61.122 1.00 55.04 O +ATOM 1350 OD2 ASP A 201 -14.934 -25.665 -60.447 1.00 53.38 O +ATOM 1351 N GLY A 202 -17.010 -20.358 -60.225 1.00 60.99 N +ATOM 1352 CA GLY A 202 -16.845 -19.008 -59.700 1.00 61.50 C +ATOM 1353 C GLY A 202 -15.641 -18.960 -58.751 1.00 61.77 C +ATOM 1354 O GLY A 202 -15.407 -19.887 -57.986 1.00 59.70 O +ATOM 1355 N LEU A 203 -14.858 -17.895 -58.876 1.00 53.91 N +ATOM 1356 CA LEU A 203 -13.755 -17.715 -57.934 1.00 60.58 C +ATOM 1357 C LEU A 203 -14.306 -17.656 -56.500 1.00 59.54 C +ATOM 1358 O LEU A 203 -15.355 -17.038 -56.296 1.00 59.75 O +ATOM 1359 CB LEU A 203 -12.973 -16.429 -58.263 1.00 59.93 C +ATOM 1360 CG LEU A 203 -12.187 -16.477 -59.587 1.00 55.69 C +ATOM 1361 CD1 LEU A 203 -11.623 -15.102 -59.916 1.00 53.52 C +ATOM 1362 CD2 LEU A 203 -11.022 -17.467 -59.530 1.00 52.20 C +ATOM 1363 N PRO A 204 -13.608 -18.246 -55.539 1.00 59.90 N +ATOM 1364 CA PRO A 204 -13.977 -18.115 -54.140 1.00 64.72 C +ATOM 1365 C PRO A 204 -14.206 -16.643 -53.767 1.00 62.28 C +ATOM 1366 O PRO A 204 -13.505 -15.751 -54.246 1.00 61.69 O +ATOM 1367 CB PRO A 204 -12.820 -18.719 -53.326 1.00 64.61 C +ATOM 1368 CG PRO A 204 -12.201 -19.724 -54.294 1.00 59.53 C +ATOM 1369 CD PRO A 204 -12.389 -19.072 -55.655 1.00 59.85 C +ATOM 1370 N GLY A 205 -15.202 -16.407 -52.941 1.00 62.62 N +ATOM 1371 CA GLY A 205 -15.431 -15.083 -52.364 1.00 64.02 C +ATOM 1372 C GLY A 205 -14.161 -14.591 -51.656 1.00 63.59 C +ATOM 1373 O GLY A 205 -13.435 -15.376 -51.062 1.00 62.02 O +ATOM 1374 N LYS A 206 -13.859 -13.295 -51.791 1.00 57.69 N +ATOM 1375 CA LYS A 206 -12.734 -12.726 -51.042 1.00 65.51 C +ATOM 1376 C LYS A 206 -13.066 -12.726 -49.564 1.00 64.15 C +ATOM 1377 O LYS A 206 -14.166 -12.309 -49.206 1.00 63.61 O +ATOM 1378 CB LYS A 206 -12.411 -11.302 -51.515 1.00 63.79 C +ATOM 1379 CG LYS A 206 -11.866 -11.269 -52.943 1.00 58.85 C +ATOM 1380 CD LYS A 206 -11.481 -9.835 -53.325 1.00 55.32 C +ATOM 1381 CE LYS A 206 -10.926 -9.820 -54.750 1.00 51.54 C +ATOM 1382 NZ LYS A 206 -10.491 -8.456 -55.141 1.00 44.92 N +ATOM 1383 N ASP A 207 -12.101 -13.118 -48.764 1.00 62.73 N +ATOM 1384 CA ASP A 207 -12.214 -13.055 -47.306 1.00 68.65 C +ATOM 1385 C ASP A 207 -12.680 -11.659 -46.858 1.00 65.42 C +ATOM 1386 O ASP A 207 -12.321 -10.631 -47.442 1.00 61.67 O +ATOM 1387 CB ASP A 207 -10.872 -13.419 -46.642 1.00 66.38 C +ATOM 1388 CG ASP A 207 -10.342 -14.798 -47.053 1.00 61.68 C +ATOM 1389 OD1 ASP A 207 -11.167 -15.659 -47.427 1.00 57.70 O +ATOM 1390 OD2 ASP A 207 -9.099 -14.940 -47.083 1.00 55.49 O +ATOM 1391 N GLY A 208 -13.535 -11.650 -45.859 1.00 65.93 N +ATOM 1392 CA GLY A 208 -13.955 -10.408 -45.218 1.00 65.76 C +ATOM 1393 C GLY A 208 -12.738 -9.639 -44.700 1.00 65.11 C +ATOM 1394 O GLY A 208 -11.762 -10.224 -44.258 1.00 63.56 O +ATOM 1395 N LYS A 209 -12.787 -8.305 -44.794 1.00 61.67 N +ATOM 1396 CA LYS A 209 -11.723 -7.501 -44.184 1.00 68.30 C +ATOM 1397 C LYS A 209 -11.771 -7.667 -42.668 1.00 66.58 C +ATOM 1398 O LYS A 209 -12.845 -7.543 -42.091 1.00 65.91 O +ATOM 1399 CB LYS A 209 -11.855 -6.017 -44.552 1.00 66.22 C +ATOM 1400 CG LYS A 209 -11.584 -5.751 -46.029 1.00 60.45 C +ATOM 1401 CD LYS A 209 -11.644 -4.241 -46.303 1.00 56.75 C +ATOM 1402 CE LYS A 209 -11.365 -3.960 -47.774 1.00 52.96 C +ATOM 1403 NZ LYS A 209 -11.374 -2.513 -48.037 1.00 46.61 N +ATOM 1404 N ASP A 210 -10.595 -7.852 -42.077 1.00 62.73 N +ATOM 1405 CA ASP A 210 -10.464 -7.898 -40.633 1.00 68.56 C +ATOM 1406 C ASP A 210 -11.145 -6.682 -39.986 1.00 65.63 C +ATOM 1407 O ASP A 210 -11.092 -5.555 -40.494 1.00 61.70 O +ATOM 1408 CB ASP A 210 -8.981 -7.957 -40.226 1.00 66.94 C +ATOM 1409 CG ASP A 210 -8.243 -9.173 -40.800 1.00 62.80 C +ATOM 1410 OD1 ASP A 210 -8.917 -10.201 -41.036 1.00 59.00 O +ATOM 1411 OD2 ASP A 210 -7.032 -9.019 -41.080 1.00 56.58 O +ATOM 1412 N GLY A 211 -11.813 -6.938 -38.881 1.00 65.08 N +ATOM 1413 CA GLY A 211 -12.377 -5.867 -38.068 1.00 65.00 C +ATOM 1414 C GLY A 211 -11.280 -4.887 -37.648 1.00 64.74 C +ATOM 1415 O GLY A 211 -10.166 -5.275 -37.327 1.00 62.68 O +ATOM 1416 N GLN A 212 -11.590 -3.585 -37.683 1.00 56.90 N +ATOM 1417 CA GLN A 212 -10.632 -2.599 -37.180 1.00 62.10 C +ATOM 1418 C GLN A 212 -10.442 -2.800 -35.676 1.00 60.71 C +ATOM 1419 O GLN A 212 -11.426 -2.864 -34.942 1.00 58.91 O +ATOM 1420 CB GLN A 212 -11.082 -1.162 -37.480 1.00 61.60 C +ATOM 1421 CG GLN A 212 -11.015 -0.834 -38.975 1.00 58.66 C +ATOM 1422 CD GLN A 212 -11.400 0.603 -39.305 1.00 53.70 C +ATOM 1423 OE1 GLN A 212 -11.799 1.411 -38.485 1.00 53.10 O +ATOM 1424 NE2 GLN A 212 -11.304 0.990 -40.552 1.00 48.98 N +ATOM 1425 N ASN A 213 -9.180 -2.836 -35.239 1.00 66.07 N +ATOM 1426 CA ASN A 213 -8.851 -2.894 -33.823 1.00 70.18 C +ATOM 1427 C ASN A 213 -9.542 -1.745 -33.069 1.00 67.61 C +ATOM 1428 O ASN A 213 -9.623 -0.611 -33.554 1.00 63.40 O +ATOM 1429 CB ASN A 213 -7.324 -2.852 -33.635 1.00 67.13 C +ATOM 1430 CG ASN A 213 -6.610 -4.075 -34.204 1.00 62.38 C +ATOM 1431 OD1 ASN A 213 -7.222 -5.059 -34.580 1.00 59.65 O +ATOM 1432 ND2 ASN A 213 -5.312 -4.058 -34.301 1.00 56.56 N +ATOM 1433 N GLY A 214 -10.036 -2.054 -31.888 1.00 62.23 N +ATOM 1434 CA GLY A 214 -10.534 -1.029 -30.977 1.00 62.33 C +ATOM 1435 C GLY A 214 -9.454 0.027 -30.723 1.00 61.87 C +ATOM 1436 O GLY A 214 -8.276 -0.295 -30.603 1.00 60.13 O +ATOM 1437 N LYS A 215 -9.841 1.311 -30.675 1.00 57.17 N +ATOM 1438 CA LYS A 215 -8.886 2.365 -30.313 1.00 63.40 C +ATOM 1439 C LYS A 215 -8.424 2.157 -28.873 1.00 61.68 C +ATOM 1440 O LYS A 215 -9.266 1.926 -28.005 1.00 60.32 O +ATOM 1441 CB LYS A 215 -9.491 3.758 -30.482 1.00 62.09 C +ATOM 1442 CG LYS A 215 -9.752 4.102 -31.949 1.00 58.92 C +ATOM 1443 CD LYS A 215 -10.286 5.532 -32.071 1.00 56.40 C +ATOM 1444 CE LYS A 215 -10.551 5.865 -33.537 1.00 53.38 C +ATOM 1445 NZ LYS A 215 -11.052 7.239 -33.690 1.00 47.33 N +ATOM 1446 N ASP A 216 -7.128 2.327 -28.655 1.00 62.23 N +ATOM 1447 CA ASP A 216 -6.573 2.310 -27.311 1.00 66.48 C +ATOM 1448 C ASP A 216 -7.323 3.279 -26.397 1.00 64.50 C +ATOM 1449 O ASP A 216 -7.697 4.396 -26.793 1.00 60.05 O +ATOM 1450 CB ASP A 216 -5.077 2.656 -27.336 1.00 64.28 C +ATOM 1451 CG ASP A 216 -4.231 1.668 -28.142 1.00 61.40 C +ATOM 1452 OD1 ASP A 216 -4.632 0.484 -28.197 1.00 58.45 O +ATOM 1453 OD2 ASP A 216 -3.226 2.124 -28.710 1.00 55.82 O +ATOM 1454 N GLY A 217 -7.556 2.852 -25.170 1.00 62.57 N +ATOM 1455 CA GLY A 217 -8.129 3.722 -24.145 1.00 62.31 C +ATOM 1456 C GLY A 217 -7.263 4.973 -23.961 1.00 61.88 C +ATOM 1457 O GLY A 217 -6.043 4.896 -23.907 1.00 60.11 O +ATOM 1458 N LEU A 218 -7.903 6.145 -23.871 1.00 57.81 N +ATOM 1459 CA LEU A 218 -7.175 7.380 -23.595 1.00 62.37 C +ATOM 1460 C LEU A 218 -6.476 7.275 -22.227 1.00 61.30 C +ATOM 1461 O LEU A 218 -7.072 6.756 -21.282 1.00 60.56 O +ATOM 1462 CB LEU A 218 -8.115 8.598 -23.644 1.00 61.33 C +ATOM 1463 CG LEU A 218 -8.658 8.924 -25.033 1.00 57.51 C +ATOM 1464 CD1 LEU A 218 -9.708 10.035 -24.936 1.00 55.60 C +ATOM 1465 CD2 LEU A 218 -7.566 9.410 -25.989 1.00 54.17 C +ATOM 1466 N PRO A 219 -5.238 7.797 -22.097 1.00 62.22 N +ATOM 1467 CA PRO A 219 -4.575 7.891 -20.801 1.00 65.31 C +ATOM 1468 C PRO A 219 -5.472 8.611 -19.794 1.00 63.66 C +ATOM 1469 O PRO A 219 -6.073 9.641 -20.105 1.00 61.78 O +ATOM 1470 CB PRO A 219 -3.264 8.649 -21.042 1.00 64.51 C +ATOM 1471 CG PRO A 219 -2.980 8.406 -22.528 1.00 60.68 C +ATOM 1472 CD PRO A 219 -4.373 8.330 -23.148 1.00 62.71 C +ATOM 1473 N GLY A 220 -5.566 8.067 -18.584 1.00 56.60 N +ATOM 1474 CA GLY A 220 -6.258 8.737 -17.476 1.00 57.41 C +ATOM 1475 C GLY A 220 -5.643 10.117 -17.225 1.00 56.95 C +ATOM 1476 O GLY A 220 -4.424 10.263 -17.295 1.00 55.88 O +ATOM 1477 N LYS A 221 -6.483 11.136 -16.977 1.00 50.56 N +ATOM 1478 CA LYS A 221 -6.002 12.462 -16.575 1.00 56.43 C +ATOM 1479 C LYS A 221 -5.457 12.382 -15.154 1.00 55.28 C +ATOM 1480 O LYS A 221 -6.107 11.803 -14.290 1.00 54.22 O +ATOM 1481 CB LYS A 221 -7.115 13.511 -16.667 1.00 55.55 C +ATOM 1482 CG LYS A 221 -7.520 13.793 -18.119 1.00 52.53 C +ATOM 1483 CD LYS A 221 -8.586 14.899 -18.170 1.00 50.73 C +ATOM 1484 CE LYS A 221 -8.984 15.187 -19.611 1.00 47.85 C +ATOM 1485 NZ LYS A 221 -10.018 16.244 -19.689 1.00 42.82 N +ATOM 1486 N ASP A 222 -4.296 12.995 -14.929 1.00 53.22 N +ATOM 1487 CA ASP A 222 -3.703 13.085 -13.598 1.00 58.18 C +ATOM 1488 C ASP A 222 -4.629 13.854 -12.648 1.00 56.13 C +ATOM 1489 O ASP A 222 -5.117 14.937 -12.964 1.00 54.21 O +ATOM 1490 CB ASP A 222 -2.312 13.730 -13.682 1.00 57.49 C +ATOM 1491 CG ASP A 222 -1.319 12.903 -14.506 1.00 54.61 C +ATOM 1492 OD1 ASP A 222 -1.416 11.653 -14.448 1.00 52.35 O +ATOM 1493 OD2 ASP A 222 -0.502 13.521 -15.219 1.00 50.54 O +ATOM 1494 N GLY A 223 -4.846 13.292 -11.463 1.00 52.81 N +ATOM 1495 CA GLY A 223 -5.415 13.983 -10.310 1.00 54.26 C +ATOM 1496 C GLY A 223 -6.943 14.017 -10.234 1.00 53.13 C +ATOM 1497 O GLY A 223 -7.554 15.057 -10.439 1.00 51.69 O +ATOM 1498 N LYS A 224 -7.523 12.916 -9.855 1.00 49.57 N +ATOM 1499 CA LYS A 224 -8.653 12.715 -8.918 1.00 54.21 C +ATOM 1500 C LYS A 224 -8.883 11.210 -8.858 1.00 53.27 C +ATOM 1501 O LYS A 224 -8.759 10.560 -9.891 1.00 52.52 O +ATOM 1502 CB LYS A 224 -9.938 13.422 -9.382 1.00 53.27 C +ATOM 1503 CG LYS A 224 -10.067 14.812 -8.727 1.00 49.80 C +ATOM 1504 CD LYS A 224 -11.111 15.664 -9.444 1.00 47.88 C +ATOM 1505 CE LYS A 224 -11.030 17.099 -8.928 1.00 44.95 C +ATOM 1506 NZ LYS A 224 -12.091 17.950 -9.503 1.00 40.75 N +ATOM 1507 N ASP A 225 -9.170 10.694 -7.651 1.00 52.34 N +ATOM 1508 CA ASP A 225 -9.288 9.269 -7.317 1.00 57.18 C +ATOM 1509 C ASP A 225 -9.678 8.411 -8.520 1.00 55.60 C +ATOM 1510 O ASP A 225 -10.675 8.677 -9.190 1.00 53.84 O +ATOM 1511 CB ASP A 225 -10.328 9.099 -6.200 1.00 56.39 C +ATOM 1512 CG ASP A 225 -9.963 9.900 -4.947 1.00 53.60 C +ATOM 1513 OD1 ASP A 225 -8.752 9.996 -4.658 1.00 51.48 O +ATOM 1514 OD2 ASP A 225 -10.892 10.490 -4.355 1.00 49.78 O +ATOM 1515 N GLY A 226 -8.828 7.406 -8.795 1.00 52.85 N +ATOM 1516 CA GLY A 226 -8.911 6.612 -10.012 1.00 54.00 C +ATOM 1517 C GLY A 226 -10.309 6.010 -10.171 1.00 53.72 C +ATOM 1518 O GLY A 226 -10.663 5.082 -9.463 1.00 52.30 O +ATOM 1519 N GLN A 227 -11.085 6.574 -11.098 1.00 51.82 N +ATOM 1520 CA GLN A 227 -12.272 5.869 -11.561 1.00 55.82 C +ATOM 1521 C GLN A 227 -11.798 4.676 -12.378 1.00 55.50 C +ATOM 1522 O GLN A 227 -10.976 4.837 -13.279 1.00 54.02 O +ATOM 1523 CB GLN A 227 -13.183 6.791 -12.392 1.00 54.63 C +ATOM 1524 CG GLN A 227 -13.857 7.844 -11.513 1.00 51.79 C +ATOM 1525 CD GLN A 227 -14.855 8.727 -12.244 1.00 48.12 C +ATOM 1526 OE1 GLN A 227 -15.083 8.686 -13.440 1.00 47.17 O +ATOM 1527 NE2 GLN A 227 -15.524 9.602 -11.526 1.00 44.24 N +ATOM 1528 N ASP A 228 -12.327 3.495 -12.054 1.00 56.67 N +ATOM 1529 CA ASP A 228 -12.082 2.297 -12.834 1.00 62.05 C +ATOM 1530 C ASP A 228 -12.325 2.588 -14.321 1.00 61.11 C +ATOM 1531 O ASP A 228 -13.305 3.233 -14.706 1.00 57.93 O +ATOM 1532 CB ASP A 228 -12.973 1.142 -12.343 1.00 60.20 C +ATOM 1533 CG ASP A 228 -12.632 0.690 -10.920 1.00 56.58 C +ATOM 1534 OD1 ASP A 228 -11.432 0.727 -10.571 1.00 54.10 O +ATOM 1535 OD2 ASP A 228 -13.581 0.318 -10.203 1.00 52.38 O +ATOM 1536 N GLY A 229 -11.382 2.166 -15.153 1.00 58.92 N +ATOM 1537 CA GLY A 229 -11.529 2.299 -16.595 1.00 60.45 C +ATOM 1538 C GLY A 229 -12.831 1.624 -17.017 1.00 60.30 C +ATOM 1539 O GLY A 229 -13.060 0.466 -16.694 1.00 58.56 O +ATOM 1540 N LYS A 230 -13.688 2.359 -17.734 1.00 59.09 N +ATOM 1541 CA LYS A 230 -14.897 1.742 -18.280 1.00 66.33 C +ATOM 1542 C LYS A 230 -14.482 0.667 -19.282 1.00 65.49 C +ATOM 1543 O LYS A 230 -13.650 0.935 -20.142 1.00 64.19 O +ATOM 1544 CB LYS A 230 -15.812 2.776 -18.954 1.00 64.20 C +ATOM 1545 CG LYS A 230 -16.411 3.734 -17.925 1.00 60.09 C +ATOM 1546 CD LYS A 230 -17.383 4.707 -18.596 1.00 57.53 C +ATOM 1547 CE LYS A 230 -17.946 5.645 -17.535 1.00 53.75 C +ATOM 1548 NZ LYS A 230 -18.896 6.621 -18.104 1.00 47.72 N +ATOM 1549 N ASP A 231 -15.123 -0.495 -19.184 1.00 59.81 N +ATOM 1550 CA ASP A 231 -14.946 -1.562 -20.158 1.00 65.97 C +ATOM 1551 C ASP A 231 -15.085 -1.002 -21.582 1.00 64.54 C +ATOM 1552 O ASP A 231 -15.975 -0.199 -21.886 1.00 59.58 O +ATOM 1553 CB ASP A 231 -15.968 -2.682 -19.927 1.00 64.01 C +ATOM 1554 CG ASP A 231 -15.785 -3.417 -18.603 1.00 60.57 C +ATOM 1555 OD1 ASP A 231 -14.623 -3.516 -18.151 1.00 57.34 O +ATOM 1556 OD2 ASP A 231 -16.816 -3.871 -18.063 1.00 54.90 O +ATOM 1557 N GLY A 232 -14.175 -1.429 -22.461 1.00 62.69 N +ATOM 1558 CA GLY A 232 -14.255 -1.077 -23.874 1.00 64.33 C +ATOM 1559 C GLY A 232 -15.610 -1.507 -24.438 1.00 64.08 C +ATOM 1560 O GLY A 232 -16.085 -2.607 -24.169 1.00 62.22 O +ATOM 1561 N LEU A 233 -16.230 -0.630 -25.229 1.00 60.94 N +ATOM 1562 CA LEU A 233 -17.488 -1.004 -25.888 1.00 67.07 C +ATOM 1563 C LEU A 233 -17.229 -2.202 -26.824 1.00 65.84 C +ATOM 1564 O LEU A 233 -16.214 -2.198 -27.520 1.00 65.30 O +ATOM 1565 CB LEU A 233 -18.061 0.181 -26.670 1.00 65.35 C +ATOM 1566 CG LEU A 233 -18.571 1.344 -25.796 1.00 60.72 C +ATOM 1567 CD1 LEU A 233 -18.959 2.520 -26.689 1.00 57.62 C +ATOM 1568 CD2 LEU A 233 -19.790 0.960 -24.967 1.00 56.09 C +ATOM 1569 N PRO A 234 -18.159 -3.183 -26.893 1.00 62.70 N +ATOM 1570 CA PRO A 234 -18.073 -4.266 -27.854 1.00 68.01 C +ATOM 1571 C PRO A 234 -17.875 -3.719 -29.276 1.00 65.46 C +ATOM 1572 O PRO A 234 -18.507 -2.734 -29.668 1.00 63.29 O +ATOM 1573 CB PRO A 234 -19.377 -5.062 -27.731 1.00 67.86 C +ATOM 1574 CG PRO A 234 -19.834 -4.778 -26.292 1.00 62.66 C +ATOM 1575 CD PRO A 234 -19.347 -3.348 -26.047 1.00 62.74 C +ATOM 1576 N GLY A 235 -16.992 -4.366 -30.035 1.00 67.34 N +ATOM 1577 CA GLY A 235 -16.840 -4.063 -31.454 1.00 69.54 C +ATOM 1578 C GLY A 235 -18.187 -4.204 -32.178 1.00 68.25 C +ATOM 1579 O GLY A 235 -18.985 -5.078 -31.850 1.00 67.10 O +ATOM 1580 N LYS A 236 -18.449 -3.304 -33.142 1.00 67.79 N +ATOM 1581 CA LYS A 236 -19.663 -3.435 -33.962 1.00 74.12 C +ATOM 1582 C LYS A 236 -19.522 -4.651 -34.871 1.00 72.36 C +ATOM 1583 O LYS A 236 -18.466 -4.814 -35.480 1.00 70.67 O +ATOM 1584 CB LYS A 236 -19.924 -2.178 -34.793 1.00 71.27 C +ATOM 1585 CG LYS A 236 -20.284 -0.972 -33.923 1.00 66.53 C +ATOM 1586 CD LYS A 236 -20.604 0.244 -34.791 1.00 62.18 C +ATOM 1587 CE LYS A 236 -20.956 1.433 -33.903 1.00 58.35 C +ATOM 1588 NZ LYS A 236 -21.260 2.635 -34.698 1.00 51.13 N +ATOM 1589 N ASP A 237 -20.593 -5.416 -35.003 1.00 67.61 N +ATOM 1590 CA ASP A 237 -20.646 -6.528 -35.939 1.00 72.58 C +ATOM 1591 C ASP A 237 -20.236 -6.074 -37.352 1.00 69.71 C +ATOM 1592 O ASP A 237 -20.566 -4.965 -37.799 1.00 63.98 O +ATOM 1593 CB ASP A 237 -22.055 -7.158 -35.953 1.00 69.85 C +ATOM 1594 CG ASP A 237 -22.497 -7.688 -34.579 1.00 65.45 C +ATOM 1595 OD1 ASP A 237 -21.605 -8.066 -33.790 1.00 61.37 O +ATOM 1596 OD2 ASP A 237 -23.714 -7.637 -34.322 1.00 59.03 O +ATOM 1597 N GLY A 238 -19.477 -6.928 -38.043 1.00 72.80 N +ATOM 1598 CA GLY A 238 -19.107 -6.701 -39.432 1.00 74.08 C +ATOM 1599 C GLY A 238 -20.354 -6.546 -40.310 1.00 73.10 C +ATOM 1600 O GLY A 238 -21.364 -7.211 -40.086 1.00 70.71 O +ATOM 1601 N LYS A 239 -20.297 -5.659 -41.313 1.00 70.56 N +ATOM 1602 CA LYS A 239 -21.402 -5.549 -42.274 1.00 76.12 C +ATOM 1603 C LYS A 239 -21.432 -6.793 -43.155 1.00 74.26 C +ATOM 1604 O LYS A 239 -20.382 -7.204 -43.643 1.00 72.35 O +ATOM 1605 CB LYS A 239 -21.275 -4.291 -43.134 1.00 72.93 C +ATOM 1606 CG LYS A 239 -21.470 -2.999 -42.328 1.00 67.24 C +ATOM 1607 CD LYS A 239 -21.401 -1.793 -43.256 1.00 63.57 C +ATOM 1608 CE LYS A 239 -21.598 -0.502 -42.460 1.00 59.09 C +ATOM 1609 NZ LYS A 239 -21.538 0.687 -43.338 1.00 52.21 N +ATOM 1610 N ASP A 240 -22.626 -7.294 -43.409 1.00 70.64 N +ATOM 1611 CA ASP A 240 -22.818 -8.403 -44.347 1.00 74.68 C +ATOM 1612 C ASP A 240 -22.142 -8.109 -45.696 1.00 72.30 C +ATOM 1613 O ASP A 240 -22.178 -6.982 -46.210 1.00 65.74 O +ATOM 1614 CB ASP A 240 -24.313 -8.680 -44.558 1.00 71.53 C +ATOM 1615 CG ASP A 240 -25.058 -9.074 -43.281 1.00 67.56 C +ATOM 1616 OD1 ASP A 240 -24.403 -9.618 -42.363 1.00 63.53 O +ATOM 1617 OD2 ASP A 240 -26.270 -8.784 -43.215 1.00 60.46 O +ATOM 1618 N GLY A 241 -21.524 -9.146 -46.275 1.00 72.06 N +ATOM 1619 CA GLY A 241 -20.923 -9.058 -47.601 1.00 73.00 C +ATOM 1620 C GLY A 241 -21.964 -8.671 -48.666 1.00 72.36 C +ATOM 1621 O GLY A 241 -23.117 -9.091 -48.609 1.00 69.28 O +ATOM 1622 N LEU A 242 -21.546 -7.867 -49.648 1.00 66.02 N +ATOM 1623 CA LEU A 242 -22.429 -7.532 -50.762 1.00 70.88 C +ATOM 1624 C LEU A 242 -22.732 -8.803 -51.591 1.00 70.04 C +ATOM 1625 O LEU A 242 -21.814 -9.584 -51.825 1.00 68.25 O +ATOM 1626 CB LEU A 242 -21.802 -6.442 -51.650 1.00 68.54 C +ATOM 1627 CG LEU A 242 -21.686 -5.060 -50.986 1.00 63.33 C +ATOM 1628 CD1 LEU A 242 -20.901 -4.116 -51.901 1.00 59.63 C +ATOM 1629 CD2 LEU A 242 -23.058 -4.429 -50.728 1.00 58.46 C +ATOM 1630 N PRO A 243 -23.969 -8.972 -52.094 1.00 67.51 N +ATOM 1631 CA PRO A 243 -24.301 -10.070 -53.000 1.00 71.43 C +ATOM 1632 C PRO A 243 -23.361 -10.098 -54.208 1.00 68.45 C +ATOM 1633 O PRO A 243 -23.012 -9.056 -54.773 1.00 65.33 O +ATOM 1634 CB PRO A 243 -25.761 -9.847 -53.423 1.00 70.37 C +ATOM 1635 CG PRO A 243 -26.338 -9.029 -52.267 1.00 65.33 C +ATOM 1636 CD PRO A 243 -25.170 -8.174 -51.794 1.00 65.34 C +ATOM 1637 N GLY A 244 -22.973 -11.305 -54.644 1.00 72.91 N +ATOM 1638 CA GLY A 244 -22.217 -11.496 -55.870 1.00 73.71 C +ATOM 1639 C GLY A 244 -22.967 -10.937 -57.086 1.00 72.97 C +ATOM 1640 O GLY A 244 -24.197 -10.966 -57.132 1.00 70.39 O +ATOM 1641 N LYS A 245 -22.231 -10.400 -58.086 1.00 73.95 N +ATOM 1642 CA LYS A 245 -22.852 -9.945 -59.331 1.00 78.24 C +ATOM 1643 C LYS A 245 -23.300 -11.158 -60.147 1.00 78.36 C +ATOM 1644 O LYS A 245 -22.530 -12.107 -60.273 1.00 76.51 O +ATOM 1645 CB LYS A 245 -21.887 -9.081 -60.155 1.00 73.82 C +ATOM 1646 CG LYS A 245 -21.590 -7.741 -59.476 1.00 67.39 C +ATOM 1647 CD LYS A 245 -20.680 -6.881 -60.365 1.00 63.46 C +ATOM 1648 CE LYS A 245 -20.385 -5.545 -59.673 1.00 59.08 C +ATOM 1649 NZ LYS A 245 -19.505 -4.694 -60.489 1.00 51.96 N +ATOM 1650 N ASP A 246 -24.476 -11.067 -60.741 1.00 71.04 N +ATOM 1651 CA ASP A 246 -24.978 -12.102 -61.639 1.00 74.78 C +ATOM 1652 C ASP A 246 -23.974 -12.406 -62.757 1.00 70.81 C +ATOM 1653 O ASP A 246 -23.322 -11.506 -63.306 1.00 65.08 O +ATOM 1654 CB ASP A 246 -26.345 -11.689 -62.219 1.00 72.10 C +ATOM 1655 CG ASP A 246 -27.422 -11.471 -61.153 1.00 67.44 C +ATOM 1656 OD1 ASP A 246 -27.343 -12.137 -60.094 1.00 63.43 O +ATOM 1657 OD2 ASP A 246 -28.287 -10.605 -61.382 1.00 61.46 O +ATOM 1658 N GLY A 247 -23.824 -13.696 -63.089 1.00 77.00 N +ATOM 1659 CA GLY A 247 -23.000 -14.138 -64.206 1.00 76.69 C +ATOM 1660 C GLY A 247 -23.506 -13.548 -65.530 1.00 76.20 C +ATOM 1661 O GLY A 247 -24.704 -13.373 -65.727 1.00 73.51 O +ATOM 1662 N LYS A 248 -22.592 -13.233 -66.465 1.00 74.45 N +ATOM 1663 CA LYS A 248 -22.980 -12.781 -67.804 1.00 78.90 C +ATOM 1664 C LYS A 248 -23.590 -13.943 -68.587 1.00 79.07 C +ATOM 1665 O LYS A 248 -23.022 -15.031 -68.581 1.00 77.12 O +ATOM 1666 CB LYS A 248 -21.782 -12.199 -68.572 1.00 74.28 C +ATOM 1667 CG LYS A 248 -21.272 -10.883 -67.969 1.00 66.74 C +ATOM 1668 CD LYS A 248 -20.125 -10.333 -68.824 1.00 63.22 C +ATOM 1669 CE LYS A 248 -19.602 -9.011 -68.245 1.00 58.61 C +ATOM 1670 NZ LYS A 248 -18.489 -8.479 -69.050 1.00 51.82 N +ATOM 1671 N ASP A 249 -24.665 -13.676 -69.318 1.00 71.03 N +ATOM 1672 CA ASP A 249 -25.297 -14.660 -70.192 1.00 74.69 C +ATOM 1673 C ASP A 249 -24.286 -15.266 -71.176 1.00 70.80 C +ATOM 1674 O ASP A 249 -23.451 -14.568 -71.759 1.00 65.83 O +ATOM 1675 CB ASP A 249 -26.473 -14.032 -70.951 1.00 71.72 C +ATOM 1676 CG ASP A 249 -27.606 -13.536 -70.044 1.00 66.89 C +ATOM 1677 OD1 ASP A 249 -27.797 -14.158 -68.977 1.00 62.51 O +ATOM 1678 OD2 ASP A 249 -28.240 -12.543 -70.429 1.00 60.76 O +ATOM 1679 N GLY A 250 -24.376 -16.589 -71.379 1.00 74.67 N +ATOM 1680 CA GLY A 250 -23.537 -17.317 -72.334 1.00 74.01 C +ATOM 1681 C GLY A 250 -23.776 -16.844 -73.780 1.00 73.93 C +ATOM 1682 O GLY A 250 -24.898 -16.548 -74.168 1.00 70.84 O +ATOM 1683 N GLN A 251 -22.710 -16.789 -74.603 1.00 69.64 N +ATOM 1684 CA GLN A 251 -22.850 -16.453 -76.023 1.00 73.32 C +ATOM 1685 C GLN A 251 -23.595 -17.560 -76.784 1.00 72.44 C +ATOM 1686 O GLN A 251 -23.310 -18.740 -76.557 1.00 71.04 O +ATOM 1687 CB GLN A 251 -21.488 -16.181 -76.679 1.00 70.07 C +ATOM 1688 CG GLN A 251 -20.852 -14.874 -76.184 1.00 63.62 C +ATOM 1689 CD GLN A 251 -19.598 -14.479 -76.960 1.00 58.18 C +ATOM 1690 OE1 GLN A 251 -19.072 -15.183 -77.811 1.00 56.59 O +ATOM 1691 NE2 GLN A 251 -19.049 -13.317 -76.700 1.00 52.20 N +ATOM 1692 N PRO A 252 -24.481 -17.232 -77.739 1.00 69.30 N +ATOM 1693 CA PRO A 252 -25.175 -18.221 -78.542 1.00 72.69 C +ATOM 1694 C PRO A 252 -24.194 -19.103 -79.335 1.00 68.73 C +ATOM 1695 O PRO A 252 -23.238 -18.605 -79.927 1.00 65.85 O +ATOM 1696 CB PRO A 252 -26.101 -17.441 -79.480 1.00 71.97 C +ATOM 1697 CG PRO A 252 -26.306 -16.107 -78.749 1.00 66.43 C +ATOM 1698 CD PRO A 252 -24.992 -15.885 -78.027 1.00 67.71 C +ATOM 1699 N GLY A 253 -24.465 -20.407 -79.375 1.00 72.92 N +ATOM 1700 CA GLY A 253 -23.683 -21.355 -80.167 1.00 73.02 C +ATOM 1701 C GLY A 253 -23.710 -21.017 -81.663 1.00 72.15 C +ATOM 1702 O GLY A 253 -24.726 -20.580 -82.195 1.00 70.14 O +ATOM 1703 N LYS A 254 -22.568 -21.236 -82.379 1.00 67.35 N +ATOM 1704 CA LYS A 254 -22.488 -21.033 -83.836 1.00 74.43 C +ATOM 1705 C LYS A 254 -23.364 -22.067 -84.563 1.00 72.03 C +ATOM 1706 O LYS A 254 -23.327 -23.234 -84.183 1.00 71.79 O +ATOM 1707 CB LYS A 254 -21.036 -21.114 -84.328 1.00 70.89 C +ATOM 1708 CG LYS A 254 -20.184 -19.928 -83.851 1.00 63.41 C +ATOM 1709 CD LYS A 254 -18.757 -20.012 -84.408 1.00 59.72 C +ATOM 1710 CE LYS A 254 -17.933 -18.811 -83.914 1.00 55.90 C +ATOM 1711 NZ LYS A 254 -16.527 -18.872 -84.367 1.00 49.21 N +ATOM 1712 N PRO A 255 -24.097 -21.683 -85.631 1.00 69.06 N +ATOM 1713 CA PRO A 255 -24.891 -22.624 -86.417 1.00 73.48 C +ATOM 1714 C PRO A 255 -24.018 -23.734 -87.020 1.00 68.34 C +ATOM 1715 O PRO A 255 -22.941 -23.461 -87.545 1.00 65.22 O +ATOM 1716 CB PRO A 255 -25.582 -21.796 -87.509 1.00 72.56 C +ATOM 1717 CG PRO A 255 -25.524 -20.369 -86.984 1.00 67.49 C +ATOM 1718 CD PRO A 255 -24.259 -20.328 -86.152 1.00 69.75 C +ATOM 1719 N GLY A 256 -24.499 -24.974 -86.937 1.00 72.10 N +ATOM 1720 CA GLY A 256 -23.865 -26.108 -87.598 1.00 72.13 C +ATOM 1721 C GLY A 256 -23.848 -25.911 -89.116 1.00 67.76 C +ATOM 1722 O GLY A 256 -24.825 -25.453 -89.698 1.00 64.74 O +ATOM 1723 N LYS A 257 -22.714 -26.244 -89.797 1.00 67.76 N +ATOM 1724 CA LYS A 257 -22.620 -26.308 -91.259 1.00 72.55 C +ATOM 1725 C LYS A 257 -23.222 -27.636 -91.711 1.00 66.33 C +ATOM 1726 O LYS A 257 -22.745 -28.672 -91.258 1.00 61.17 O +ATOM 1727 CB LYS A 257 -21.163 -26.182 -91.723 1.00 68.18 C +ATOM 1728 CG LYS A 257 -20.581 -24.784 -91.497 1.00 59.96 C +ATOM 1729 CD LYS A 257 -19.152 -24.704 -92.081 1.00 56.94 C +ATOM 1730 CE LYS A 257 -18.575 -23.295 -91.942 1.00 53.39 C +ATOM 1731 NZ LYS A 257 -17.226 -23.209 -92.554 1.00 47.16 N +ATOM 1732 N TYR A 258 -24.260 -27.564 -92.562 1.00 74.35 N +ATOM 1733 CA TYR A 258 -24.738 -28.683 -93.377 1.00 74.00 C +ATOM 1734 C TYR A 258 -23.948 -28.744 -94.680 1.00 63.43 C +ATOM 1735 O TYR A 258 -23.591 -27.663 -95.197 1.00 56.18 O +ATOM 1736 CB TYR A 258 -26.245 -28.533 -93.638 1.00 66.88 C +ATOM 1737 CG TYR A 258 -27.114 -28.864 -92.434 1.00 58.49 C +ATOM 1738 CD1 TYR A 258 -27.440 -30.203 -92.153 1.00 54.34 C +ATOM 1739 CD2 TYR A 258 -27.607 -27.832 -91.603 1.00 53.52 C +ATOM 1740 CE1 TYR A 258 -28.248 -30.515 -91.063 1.00 49.11 C +ATOM 1741 CE2 TYR A 258 -28.407 -28.150 -90.498 1.00 58.22 C +ATOM 1742 CZ TYR A 258 -28.740 -29.492 -90.226 1.00 51.29 C +ATOM 1743 OH TYR A 258 -29.516 -29.803 -89.172 1.00 53.28 O +ATOM 1744 OXT TYR A 258 -23.726 -29.903 -95.092 1.00 50.76 O +TER 1745 TYR A 258 +END diff --git a/protein_pdb_152.txt b/protein_pdb_152.txt new file mode 100644 index 0000000000000000000000000000000000000000..2bfbe18dbeb77431ee93ff86811db1aa0a6dc6ae --- /dev/null +++ b/protein_pdb_152.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -7.045 14.148 -3.644 1.00 90.24 N +ATOM 2 CA GLY A 1 -6.827 12.923 -4.343 1.00 91.14 C +ATOM 3 C GLY A 1 -7.440 11.700 -3.679 1.00 91.92 C +ATOM 4 O GLY A 1 -7.903 11.771 -2.545 1.00 89.62 O +ATOM 5 N PRO A 2 -7.403 10.631 -4.346 1.00 90.93 N +ATOM 6 CA PRO A 2 -7.963 9.397 -3.829 1.00 91.59 C +ATOM 7 C PRO A 2 -7.047 8.739 -2.805 1.00 91.31 C +ATOM 8 O PRO A 2 -5.874 9.088 -2.690 1.00 89.33 O +ATOM 9 CB PRO A 2 -8.089 8.536 -5.086 1.00 88.61 C +ATOM 10 CG PRO A 2 -6.970 9.005 -5.945 1.00 84.60 C +ATOM 11 CD PRO A 2 -6.869 10.485 -5.695 1.00 87.46 C +HETATM 12 N HYP A 3 -7.618 7.777 -2.087 1.00 90.75 N +HETATM 13 CA HYP A 3 -6.810 7.032 -1.113 1.00 90.55 C +HETATM 14 C HYP A 3 -5.683 6.257 -1.807 1.00 91.39 C +HETATM 15 O HYP A 3 -5.858 5.806 -2.960 1.00 93.47 O +HETATM 16 CB HYP A 3 -7.842 6.018 -0.517 1.00 89.78 C +HETATM 17 CG HYP A 3 -9.168 6.715 -0.672 1.00 86.67 C +HETATM 18 CD HYP A 3 -9.003 7.453 -2.045 1.00 90.36 C +HETATM 19 OD1 HYP A 3 -9.289 7.649 0.340 1.00 89.37 O +ATOM 20 N GLY A 4 -4.572 6.179 -1.121 1.00 92.90 N +ATOM 21 CA GLY A 4 -3.469 5.419 -1.638 1.00 92.18 C +ATOM 22 C GLY A 4 -3.767 3.932 -1.632 1.00 92.81 C +ATOM 23 O GLY A 4 -4.746 3.473 -1.045 1.00 92.52 O +ATOM 24 N PRO A 5 -2.912 3.147 -2.300 1.00 93.00 N +ATOM 25 CA PRO A 5 -3.109 1.707 -2.358 1.00 92.76 C +ATOM 26 C PRO A 5 -2.812 1.048 -1.015 1.00 92.44 C +ATOM 27 O PRO A 5 -2.163 1.630 -0.156 1.00 90.99 O +ATOM 28 CB PRO A 5 -2.120 1.261 -3.433 1.00 90.93 C +ATOM 29 CG PRO A 5 -1.020 2.260 -3.329 1.00 88.78 C +ATOM 30 CD PRO A 5 -1.691 3.564 -2.994 1.00 91.44 C +HETATM 31 N HYP A 6 -3.333 -0.190 -0.876 1.00 91.56 N +HETATM 32 CA HYP A 6 -2.991 -0.972 0.302 1.00 93.96 C +HETATM 33 C HYP A 6 -1.502 -1.148 0.454 1.00 92.79 C +HETATM 34 O HYP A 6 -0.768 -1.223 -0.580 1.00 93.12 O +HETATM 35 CB HYP A 6 -3.710 -2.312 0.057 1.00 90.67 C +HETATM 36 CG HYP A 6 -4.873 -1.971 -0.869 1.00 89.21 C +HETATM 37 CD HYP A 6 -4.264 -0.881 -1.767 1.00 91.53 C +HETATM 38 OD1 HYP A 6 -5.928 -1.427 -0.129 1.00 89.53 O +ATOM 39 N GLY A 7 -1.020 -1.131 1.651 1.00 93.40 N +ATOM 40 CA GLY A 7 0.375 -1.364 1.901 1.00 92.46 C +ATOM 41 C GLY A 7 0.768 -2.786 1.528 1.00 92.62 C +ATOM 42 O GLY A 7 -0.079 -3.642 1.280 1.00 92.64 O +ATOM 43 N PRO A 8 2.064 -3.043 1.490 1.00 92.80 N +ATOM 44 CA PRO A 8 2.529 -4.383 1.156 1.00 92.26 C +ATOM 45 C PRO A 8 2.239 -5.368 2.278 1.00 92.23 C +ATOM 46 O PRO A 8 2.046 -4.986 3.425 1.00 90.85 O +ATOM 47 CB PRO A 8 4.031 -4.197 0.945 1.00 90.43 C +ATOM 48 CG PRO A 8 4.365 -3.026 1.792 1.00 89.04 C +ATOM 49 CD PRO A 8 3.162 -2.127 1.765 1.00 91.52 C +HETATM 50 N HYP A 9 2.224 -6.675 1.921 1.00 91.35 N +HETATM 51 CA HYP A 9 2.013 -7.680 2.886 1.00 90.69 C +HETATM 52 C HYP A 9 3.124 -7.721 3.918 1.00 90.55 C +HETATM 53 O HYP A 9 4.304 -7.511 3.562 1.00 91.87 O +HETATM 54 CB HYP A 9 2.022 -9.022 2.089 1.00 88.63 C +HETATM 55 CG HYP A 9 1.671 -8.639 0.705 1.00 87.27 C +HETATM 56 CD HYP A 9 2.252 -7.253 0.540 1.00 90.92 C +HETATM 57 OD1 HYP A 9 0.268 -8.575 0.611 1.00 85.72 O +ATOM 58 N GLY A 10 2.823 -7.874 5.164 1.00 91.40 N +ATOM 59 CA GLY A 10 3.830 -8.153 6.158 1.00 88.39 C +ATOM 60 C GLY A 10 4.414 -9.530 5.908 1.00 87.51 C +ATOM 61 O GLY A 10 3.935 -10.286 5.059 1.00 85.68 O +ATOM 62 N LYS A 11 5.449 -9.877 6.658 1.00 90.39 N +ATOM 63 CA LYS A 11 6.085 -11.173 6.434 1.00 91.10 C +ATOM 64 C LYS A 11 5.123 -12.342 6.624 1.00 89.96 C +ATOM 65 O LYS A 11 5.294 -13.387 5.989 1.00 86.47 O +ATOM 66 CB LYS A 11 7.327 -11.316 7.313 1.00 87.66 C +ATOM 67 CG LYS A 11 8.460 -10.419 6.845 1.00 83.21 C +ATOM 68 CD LYS A 11 9.770 -10.729 7.512 1.00 78.06 C +ATOM 69 CE LYS A 11 10.881 -9.856 6.928 1.00 73.43 C +ATOM 70 NZ LYS A 11 12.207 -10.212 7.472 1.00 67.79 N +ATOM 71 N GLU A 12 4.120 -12.160 7.470 1.00 90.29 N +ATOM 72 CA GLU A 12 3.079 -13.169 7.674 1.00 91.91 C +ATOM 73 C GLU A 12 1.693 -12.533 7.736 1.00 92.77 C +ATOM 74 O GLU A 12 0.772 -13.093 8.323 1.00 87.85 O +ATOM 75 CB GLU A 12 3.357 -13.985 8.944 1.00 88.60 C +ATOM 76 CG GLU A 12 4.625 -14.828 8.851 1.00 82.21 C +ATOM 77 CD GLU A 12 4.838 -15.757 10.032 1.00 76.74 C +ATOM 78 OE1 GLU A 12 4.143 -15.597 11.057 1.00 70.93 O +ATOM 79 OE2 GLU A 12 5.696 -16.646 9.938 1.00 72.97 O +ATOM 80 N GLY A 13 1.523 -11.367 7.135 1.00 93.09 N +ATOM 81 CA GLY A 13 0.297 -10.608 7.302 1.00 91.96 C +ATOM 82 C GLY A 13 -0.306 -10.102 6.011 1.00 92.24 C +ATOM 83 O GLY A 13 0.302 -10.180 4.941 1.00 91.01 O +ATOM 84 N PRO A 14 -1.523 -9.594 6.109 1.00 94.52 N +ATOM 85 CA PRO A 14 -2.237 -9.064 4.958 1.00 94.15 C +ATOM 86 C PRO A 14 -1.701 -7.708 4.535 1.00 94.32 C +ATOM 87 O PRO A 14 -0.863 -7.116 5.210 1.00 92.53 O +ATOM 88 CB PRO A 14 -3.675 -8.949 5.469 1.00 92.44 C +ATOM 89 CG PRO A 14 -3.505 -8.645 6.919 1.00 91.18 C +ATOM 90 CD PRO A 14 -2.295 -9.428 7.349 1.00 92.85 C +HETATM 91 N HYP A 15 -2.214 -7.249 3.381 1.00 92.25 N +HETATM 92 CA HYP A 15 -1.885 -5.917 2.942 1.00 92.65 C +HETATM 93 C HYP A 15 -2.193 -4.902 3.989 1.00 93.37 C +HETATM 94 O HYP A 15 -3.188 -5.070 4.749 1.00 93.97 O +HETATM 95 CB HYP A 15 -2.735 -5.741 1.677 1.00 90.51 C +HETATM 96 CG HYP A 15 -2.944 -7.142 1.156 1.00 89.33 C +HETATM 97 CD HYP A 15 -3.074 -7.962 2.435 1.00 91.97 C +HETATM 98 OD1 HYP A 15 -1.834 -7.545 0.419 1.00 90.24 O +ATOM 99 N GLY A 16 -1.395 -3.871 4.072 1.00 95.32 N +ATOM 100 CA GLY A 16 -1.676 -2.784 4.972 1.00 94.75 C +ATOM 101 C GLY A 16 -2.890 -1.997 4.524 1.00 94.94 C +ATOM 102 O GLY A 16 -3.429 -2.221 3.439 1.00 94.30 O +ATOM 103 N PRO A 17 -3.328 -1.063 5.366 1.00 93.13 N +ATOM 104 CA PRO A 17 -4.495 -0.254 5.027 1.00 92.58 C +ATOM 105 C PRO A 17 -4.195 0.711 3.888 1.00 93.03 C +ATOM 106 O PRO A 17 -3.037 0.990 3.582 1.00 91.35 O +ATOM 107 CB PRO A 17 -4.794 0.490 6.323 1.00 91.18 C +ATOM 108 CG PRO A 17 -3.481 0.559 7.015 1.00 89.73 C +ATOM 109 CD PRO A 17 -2.761 -0.703 6.654 1.00 91.39 C +HETATM 110 N HYP A 18 -5.268 1.204 3.248 1.00 88.08 N +HETATM 111 CA HYP A 18 -5.108 2.201 2.239 1.00 89.09 C +HETATM 112 C HYP A 18 -4.399 3.424 2.738 1.00 90.49 C +HETATM 113 O HYP A 18 -4.564 3.798 3.927 1.00 92.38 O +HETATM 114 CB HYP A 18 -6.560 2.515 1.824 1.00 87.81 C +HETATM 115 CG HYP A 18 -7.333 1.242 2.131 1.00 86.88 C +HETATM 116 CD HYP A 18 -6.652 0.764 3.412 1.00 90.45 C +HETATM 117 OD1 HYP A 18 -7.138 0.306 1.091 1.00 88.37 O +ATOM 118 N GLY A 19 -3.584 3.999 1.908 1.00 89.03 N +ATOM 119 CA GLY A 19 -2.916 5.217 2.260 1.00 88.49 C +ATOM 120 C GLY A 19 -3.904 6.360 2.412 1.00 88.70 C +ATOM 121 O GLY A 19 -5.081 6.236 2.062 1.00 88.95 O +ATOM 122 N PRO A 20 -3.436 7.479 2.930 1.00 87.42 N +ATOM 123 CA PRO A 20 -4.306 8.628 3.116 1.00 87.59 C +ATOM 124 C PRO A 20 -4.679 9.260 1.782 1.00 87.00 C +ATOM 125 O PRO A 20 -4.015 9.051 0.775 1.00 87.09 O +ATOM 126 CB PRO A 20 -3.453 9.575 3.959 1.00 85.77 C +ATOM 127 CG PRO A 20 -2.056 9.236 3.565 1.00 83.07 C +ATOM 128 CD PRO A 20 -2.062 7.754 3.334 1.00 85.97 C +HETATM 129 N HYP A 21 -5.759 10.012 1.809 1.00 88.55 N +HETATM 130 CA HYP A 21 -6.130 10.771 0.639 1.00 88.49 C +HETATM 131 C HYP A 21 -5.057 11.715 0.173 1.00 86.88 C +HETATM 132 O HYP A 21 -4.328 12.263 1.024 1.00 92.14 O +HETATM 133 CB HYP A 21 -7.386 11.528 1.082 1.00 87.16 C +HETATM 134 CG HYP A 21 -7.964 10.720 2.211 1.00 84.41 C +HETATM 135 CD HYP A 21 -6.737 10.166 2.904 1.00 90.36 C +HETATM 136 OD1 HYP A 21 -8.709 9.627 1.672 1.00 83.37 O +ATOM 137 N GLY A 22 -4.867 11.822 -1.089 1.00 87.24 N +ATOM 138 CA GLY A 22 -3.965 12.814 -1.604 1.00 84.56 C +ATOM 139 C GLY A 22 -4.534 14.206 -1.342 1.00 84.60 C +ATOM 140 O GLY A 22 -5.671 14.351 -0.906 1.00 84.20 O +ATOM 141 N PRO A 23 -3.754 15.248 -1.610 1.00 90.54 N +ATOM 142 CA PRO A 23 -4.265 16.593 -1.406 1.00 90.47 C +ATOM 143 C PRO A 23 -5.370 16.886 -2.418 1.00 88.90 C +ATOM 144 O PRO A 23 -5.151 16.794 -3.620 1.00 84.78 O +ATOM 145 CB PRO A 23 -3.035 17.487 -1.611 1.00 87.50 C +ATOM 146 CG PRO A 23 -2.087 16.665 -2.401 1.00 84.43 C +ATOM 147 CD PRO A 23 -2.388 15.227 -2.102 1.00 88.10 C +HETATM 148 N HYP A 24 -6.532 17.048 -2.040 1.00 92.85 N +HETATM 149 CA HYP A 24 -7.755 16.916 -2.971 1.00 86.94 C +HETATM 150 C HYP A 24 -7.986 15.775 -3.699 1.00 92.57 C +HETATM 151 O HYP A 24 -9.078 15.053 -3.696 1.00 91.39 O +HETATM 152 CB HYP A 24 -8.776 17.709 -2.251 1.00 87.86 C +HETATM 153 CG HYP A 24 -8.036 18.572 -1.257 1.00 86.39 C +HETATM 154 CD HYP A 24 -6.659 17.985 -1.030 1.00 90.67 C +HETATM 155 OD1 HYP A 24 -8.643 19.336 -0.400 1.00 87.69 O +HETATM 156 OXT HYP A 24 -7.483 15.741 -4.892 1.00 86.59 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_153.txt b/protein_pdb_153.txt new file mode 100644 index 0000000000000000000000000000000000000000..90b88319ed0302feec5e475c587420b996569918 --- /dev/null +++ b/protein_pdb_153.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -22.325 23.321 12.390 1.00 88.21 N +ATOM 2 CA GLY A 1 -21.320 23.855 11.479 1.00 90.74 C +ATOM 3 C GLY A 1 -21.194 23.030 10.214 1.00 91.13 C +ATOM 4 O GLY A 1 -21.751 21.932 10.135 1.00 88.27 O +ATOM 5 N PRO A 2 -20.462 23.508 9.223 1.00 91.21 N +ATOM 6 CA PRO A 2 -20.293 22.770 7.973 1.00 93.09 C +ATOM 7 C PRO A 2 -19.400 21.552 8.158 1.00 92.83 C +ATOM 8 O PRO A 2 -18.636 21.465 9.117 1.00 91.29 O +ATOM 9 CB PRO A 2 -19.648 23.798 7.036 1.00 91.06 C +ATOM 10 CG PRO A 2 -18.875 24.668 7.969 1.00 87.39 C +ATOM 11 CD PRO A 2 -19.747 24.785 9.198 1.00 89.09 C +HETATM 12 N HYP A 3 -19.530 20.672 7.315 1.00 93.97 N +HETATM 13 CA HYP A 3 -18.637 19.439 7.275 1.00 91.55 C +HETATM 14 C HYP A 3 -17.161 19.826 7.163 1.00 90.95 C +HETATM 15 O HYP A 3 -16.811 20.833 6.526 1.00 92.09 O +HETATM 16 CB HYP A 3 -19.112 18.708 6.038 1.00 91.09 C +HETATM 17 CG HYP A 3 -20.550 19.181 5.788 1.00 90.71 C +HETATM 18 CD HYP A 3 -20.483 20.642 6.223 1.00 92.60 C +HETATM 19 OD1 HYP A 3 -21.490 18.507 6.570 1.00 91.16 O +ATOM 20 N GLY A 4 -16.296 19.042 7.807 1.00 94.00 N +ATOM 21 CA GLY A 4 -14.874 19.300 7.758 1.00 93.25 C +ATOM 22 C GLY A 4 -14.287 18.941 6.404 1.00 93.54 C +ATOM 23 O GLY A 4 -14.963 18.355 5.553 1.00 92.73 O +ATOM 24 N PRO A 5 -13.012 19.286 6.184 1.00 94.00 N +ATOM 25 CA PRO A 5 -12.361 18.979 4.909 1.00 94.08 C +ATOM 26 C PRO A 5 -12.130 17.480 4.755 1.00 94.01 C +ATOM 27 O PRO A 5 -12.104 16.740 5.736 1.00 92.54 O +ATOM 28 CB PRO A 5 -11.052 19.747 4.975 1.00 91.98 C +ATOM 29 CG PRO A 5 -10.756 19.787 6.443 1.00 90.37 C +ATOM 30 CD PRO A 5 -12.103 19.965 7.099 1.00 92.61 C +HETATM 31 N HYP A 6 -11.989 17.066 3.526 1.00 91.49 N +HETATM 32 CA HYP A 6 -11.608 15.622 3.274 1.00 93.65 C +HETATM 33 C HYP A 6 -10.355 15.227 3.957 1.00 86.66 C +HETATM 34 O HYP A 6 -9.417 16.043 4.120 1.00 90.45 O +HETATM 35 CB HYP A 6 -11.489 15.617 1.739 1.00 87.33 C +HETATM 36 CG HYP A 6 -12.396 16.736 1.237 1.00 85.44 C +HETATM 37 CD HYP A 6 -12.208 17.789 2.313 1.00 90.33 C +HETATM 38 OD1 HYP A 6 -13.742 16.335 1.173 1.00 88.86 O +ATOM 39 N GLY A 7 -10.285 13.962 4.465 1.00 94.91 N +ATOM 40 CA GLY A 7 -9.131 13.455 5.169 1.00 94.16 C +ATOM 41 C GLY A 7 -7.951 13.229 4.236 1.00 94.32 C +ATOM 42 O GLY A 7 -8.082 13.337 3.012 1.00 93.73 O +ATOM 43 N PRO A 8 -6.784 12.900 4.804 1.00 92.62 N +ATOM 44 CA PRO A 8 -5.593 12.655 3.996 1.00 93.06 C +ATOM 45 C PRO A 8 -5.705 11.339 3.227 1.00 92.81 C +ATOM 46 O PRO A 8 -6.500 10.472 3.578 1.00 91.49 O +ATOM 47 CB PRO A 8 -4.468 12.616 5.022 1.00 91.29 C +ATOM 48 CG PRO A 8 -5.147 12.095 6.239 1.00 90.61 C +ATOM 49 CD PRO A 8 -6.514 12.741 6.226 1.00 92.27 C +HETATM 50 N HYP A 9 -4.932 11.164 2.210 1.00 90.47 N +HETATM 51 CA HYP A 9 -4.850 9.921 1.458 1.00 91.59 C +HETATM 52 C HYP A 9 -4.468 8.778 2.304 1.00 89.05 C +HETATM 53 O HYP A 9 -3.684 8.931 3.269 1.00 90.30 O +HETATM 54 CB HYP A 9 -3.762 10.226 0.401 1.00 89.08 C +HETATM 55 CG HYP A 9 -3.768 11.713 0.247 1.00 86.46 C +HETATM 56 CD HYP A 9 -4.116 12.185 1.635 1.00 89.02 C +HETATM 57 OD1 HYP A 9 -4.778 12.126 -0.655 1.00 86.04 O +ATOM 58 N GLY A 10 -4.950 7.565 1.982 1.00 92.66 N +ATOM 59 CA GLY A 10 -4.642 6.368 2.731 1.00 91.07 C +ATOM 60 C GLY A 10 -3.178 5.989 2.612 1.00 91.13 C +ATOM 61 O GLY A 10 -2.423 6.555 1.815 1.00 89.65 O +ATOM 62 N GLU A 11 -2.758 4.994 3.426 1.00 90.89 N +ATOM 63 CA GLU A 11 -1.379 4.518 3.422 1.00 91.36 C +ATOM 64 C GLU A 11 -1.037 3.836 2.107 1.00 90.93 C +ATOM 65 O GLU A 11 -1.894 3.233 1.454 1.00 87.91 O +ATOM 66 CB GLU A 11 -1.144 3.525 4.556 1.00 87.77 C +ATOM 67 CG GLU A 11 -1.311 4.117 5.939 1.00 82.19 C +ATOM 68 CD GLU A 11 -1.014 3.093 7.029 1.00 78.35 C +ATOM 69 OE1 GLU A 11 -1.069 1.883 6.745 1.00 73.72 O +ATOM 70 OE2 GLU A 11 -0.743 3.511 8.165 1.00 73.80 O +ATOM 71 N VAL A 12 0.244 3.913 1.726 1.00 90.30 N +ATOM 72 CA VAL A 12 0.714 3.197 0.539 1.00 90.01 C +ATOM 73 C VAL A 12 0.747 1.716 0.904 1.00 90.48 C +ATOM 74 O VAL A 12 1.109 1.353 2.020 1.00 87.59 O +ATOM 75 CB VAL A 12 2.119 3.681 0.128 1.00 86.66 C +ATOM 76 CG1 VAL A 12 2.653 2.858 -1.038 1.00 82.45 C +ATOM 77 CG2 VAL A 12 2.073 5.156 -0.262 1.00 81.56 C +ATOM 78 N GLY A 13 0.348 0.878 -0.052 1.00 89.76 N +ATOM 79 CA GLY A 13 0.327 -0.548 0.195 1.00 88.21 C +ATOM 80 C GLY A 13 1.701 -1.133 0.469 1.00 89.04 C +ATOM 81 O GLY A 13 2.722 -0.488 0.220 1.00 88.39 O +ATOM 82 N PRO A 14 1.757 -2.370 0.989 1.00 91.03 N +ATOM 83 CA PRO A 14 3.032 -3.016 1.287 1.00 91.57 C +ATOM 84 C PRO A 14 3.773 -3.393 0.018 1.00 91.21 C +ATOM 85 O PRO A 14 3.182 -3.505 -1.046 1.00 90.12 O +ATOM 86 CB PRO A 14 2.628 -4.253 2.094 1.00 89.72 C +ATOM 87 CG PRO A 14 1.279 -4.582 1.562 1.00 88.61 C +ATOM 88 CD PRO A 14 0.623 -3.243 1.332 1.00 89.41 C +HETATM 89 N HYP A 15 5.073 -3.624 0.145 1.00 82.17 N +HETATM 90 CA HYP A 15 5.882 -4.072 -0.975 1.00 84.16 C +HETATM 91 C HYP A 15 5.405 -5.424 -1.518 1.00 84.68 C +HETATM 92 O HYP A 15 4.810 -6.211 -0.767 1.00 84.25 O +HETATM 93 CB HYP A 15 7.260 -4.271 -0.293 1.00 79.52 C +HETATM 94 CG HYP A 15 7.231 -3.312 0.889 1.00 78.92 C +HETATM 95 CD HYP A 15 5.807 -3.393 1.327 1.00 85.47 C +HETATM 96 OD1 HYP A 15 7.546 -2.005 0.494 1.00 83.67 O +ATOM 97 N GLY A 16 5.579 -5.641 -2.780 1.00 92.53 N +ATOM 98 CA GLY A 16 5.203 -6.897 -3.370 1.00 91.45 C +ATOM 99 C GLY A 16 6.101 -8.022 -2.876 1.00 91.94 C +ATOM 100 O GLY A 16 7.091 -7.783 -2.187 1.00 91.53 O +ATOM 101 N PRO A 17 5.762 -9.279 -3.220 1.00 85.71 N +ATOM 102 CA PRO A 17 6.567 -10.417 -2.786 1.00 87.85 C +ATOM 103 C PRO A 17 7.922 -10.428 -3.473 1.00 87.83 C +ATOM 104 O PRO A 17 8.096 -9.857 -4.538 1.00 87.45 O +ATOM 105 CB PRO A 17 5.718 -11.625 -3.176 1.00 86.12 C +ATOM 106 CG PRO A 17 4.943 -11.141 -4.354 1.00 83.10 C +ATOM 107 CD PRO A 17 4.618 -9.705 -4.030 1.00 84.04 C +HETATM 108 N HYP A 18 8.898 -11.098 -2.877 1.00 89.29 N +HETATM 109 CA HYP A 18 10.206 -11.240 -3.474 1.00 90.86 C +HETATM 110 C HYP A 18 10.170 -11.929 -4.819 1.00 88.27 C +HETATM 111 O HYP A 18 9.320 -12.823 -5.050 1.00 90.40 O +HETATM 112 CB HYP A 18 10.933 -12.121 -2.441 1.00 86.68 C +HETATM 113 CG HYP A 18 10.228 -11.894 -1.126 1.00 83.83 C +HETATM 114 CD HYP A 18 8.803 -11.684 -1.558 1.00 89.40 C +HETATM 115 OD1 HYP A 18 10.694 -10.734 -0.476 1.00 88.17 O +ATOM 116 N GLY A 19 11.003 -11.492 -5.765 1.00 90.14 N +ATOM 117 CA GLY A 19 11.076 -12.089 -7.068 1.00 89.67 C +ATOM 118 C GLY A 19 11.651 -13.496 -6.990 1.00 90.24 C +ATOM 119 O GLY A 19 12.177 -13.903 -5.952 1.00 90.11 O +ATOM 120 N PRO A 20 11.581 -14.254 -8.081 1.00 87.50 N +ATOM 121 CA PRO A 20 12.103 -15.618 -8.091 1.00 88.47 C +ATOM 122 C PRO A 20 13.620 -15.624 -8.082 1.00 87.94 C +ATOM 123 O PRO A 20 14.259 -14.655 -8.475 1.00 86.67 O +ATOM 124 CB PRO A 20 11.535 -16.200 -9.383 1.00 85.86 C +ATOM 125 CG PRO A 20 11.421 -15.007 -10.267 1.00 83.43 C +ATOM 126 CD PRO A 20 10.980 -13.888 -9.355 1.00 85.96 C +HETATM 127 N HYP A 21 14.222 -16.723 -7.623 1.00 94.06 N +HETATM 128 CA HYP A 21 15.669 -16.869 -7.679 1.00 90.89 C +HETATM 129 C HYP A 21 16.236 -16.814 -9.086 1.00 93.65 C +HETATM 130 O HYP A 21 15.535 -17.189 -10.031 1.00 92.07 O +HETATM 131 CB HYP A 21 15.872 -18.328 -7.109 1.00 89.81 C +HETATM 132 CG HYP A 21 14.661 -18.602 -6.225 1.00 86.69 C +HETATM 133 CD HYP A 21 13.558 -17.838 -6.940 1.00 91.05 C +HETATM 134 OD1 HYP A 21 14.828 -18.045 -4.920 1.00 88.20 O +ATOM 135 N GLY A 22 17.428 -16.279 -9.284 1.00 90.24 N +ATOM 136 CA GLY A 22 18.061 -16.192 -10.570 1.00 89.15 C +ATOM 137 C GLY A 22 18.352 -17.580 -11.136 1.00 89.24 C +ATOM 138 O GLY A 22 18.215 -18.584 -10.433 1.00 87.27 O +ATOM 139 N PRO A 23 18.790 -17.657 -12.393 1.00 90.30 N +ATOM 140 CA PRO A 23 19.080 -18.947 -13.007 1.00 90.65 C +ATOM 141 C PRO A 23 20.298 -19.594 -12.368 1.00 89.80 C +ATOM 142 O PRO A 23 21.182 -18.908 -11.852 1.00 85.65 O +ATOM 143 CB PRO A 23 19.310 -18.606 -14.473 1.00 86.55 C +ATOM 144 CG PRO A 23 19.799 -17.207 -14.426 1.00 84.37 C +ATOM 145 CD PRO A 23 19.015 -16.558 -13.315 1.00 86.59 C +HETATM 146 N HYP A 24 20.460 -20.881 -12.426 1.00 91.67 N +HETATM 147 CA HYP A 24 21.635 -21.529 -11.806 1.00 86.03 C +HETATM 148 C HYP A 24 22.881 -21.045 -12.481 1.00 90.45 C +HETATM 149 O HYP A 24 23.735 -20.634 -11.766 1.00 86.04 O +HETATM 150 CB HYP A 24 21.430 -23.049 -12.152 1.00 89.14 C +HETATM 151 CG HYP A 24 19.966 -23.232 -12.464 1.00 87.11 C +HETATM 152 CD HYP A 24 19.533 -21.861 -13.013 1.00 89.88 C +HETATM 153 OD1 HYP A 24 19.258 -23.494 -11.276 1.00 83.29 O +HETATM 154 OXT HYP A 24 22.946 -21.104 -13.750 1.00 80.56 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_154.txt b/protein_pdb_154.txt new file mode 100644 index 0000000000000000000000000000000000000000..574664aff07a0f202fd5da01464012fee58d1764 --- /dev/null +++ b/protein_pdb_154.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -8.623 13.601 -1.877 1.00 83.44 N +ATOM 2 CA GLY A 1 -8.948 12.449 -2.698 1.00 85.74 C +ATOM 3 C GLY A 1 -9.175 11.221 -1.845 1.00 87.22 C +ATOM 4 O GLY A 1 -9.064 11.286 -0.620 1.00 83.73 O +ATOM 5 N PRO A 2 -9.457 10.100 -2.475 1.00 85.33 N +ATOM 6 CA PRO A 2 -9.715 8.872 -1.736 1.00 87.59 C +ATOM 7 C PRO A 2 -8.464 8.291 -1.115 1.00 87.61 C +ATOM 8 O PRO A 2 -7.351 8.609 -1.513 1.00 85.30 O +ATOM 9 CB PRO A 2 -10.305 7.946 -2.798 1.00 84.02 C +ATOM 10 CG PRO A 2 -9.649 8.405 -4.048 1.00 80.78 C +ATOM 11 CD PRO A 2 -9.602 9.904 -3.914 1.00 82.11 C +HETATM 12 N HYP A 3 -8.674 7.486 -0.154 1.00 90.05 N +HETATM 13 CA HYP A 3 -7.552 6.758 0.466 1.00 85.55 C +HETATM 14 C HYP A 3 -6.814 5.902 -0.548 1.00 89.89 C +HETATM 15 O HYP A 3 -7.451 5.387 -1.508 1.00 90.87 O +HETATM 16 CB HYP A 3 -8.272 5.864 1.516 1.00 87.67 C +HETATM 17 CG HYP A 3 -9.550 6.624 1.848 1.00 82.78 C +HETATM 18 CD HYP A 3 -9.939 7.209 0.462 1.00 86.73 C +HETATM 19 OD1 HYP A 3 -9.242 7.678 2.725 1.00 86.99 O +ATOM 20 N GLY A 4 -5.540 5.769 -0.364 1.00 91.10 N +ATOM 21 CA GLY A 4 -4.748 4.959 -1.247 1.00 90.88 C +ATOM 22 C GLY A 4 -5.047 3.489 -1.029 1.00 91.31 C +ATOM 23 O GLY A 4 -5.734 3.110 -0.079 1.00 91.15 O +ATOM 24 N PRO A 5 -4.536 2.646 -1.916 1.00 90.00 N +ATOM 25 CA PRO A 5 -4.777 1.216 -1.800 1.00 90.46 C +ATOM 26 C PRO A 5 -3.960 0.602 -0.674 1.00 90.14 C +ATOM 27 O PRO A 5 -3.006 1.195 -0.187 1.00 88.42 O +ATOM 28 CB PRO A 5 -4.350 0.688 -3.163 1.00 87.88 C +ATOM 29 CG PRO A 5 -3.252 1.619 -3.557 1.00 85.71 C +ATOM 30 CD PRO A 5 -3.727 2.970 -3.097 1.00 88.28 C +HETATM 31 N HYP A 6 -4.386 -0.584 -0.276 1.00 90.46 N +HETATM 32 CA HYP A 6 -3.608 -1.337 0.706 1.00 91.66 C +HETATM 33 C HYP A 6 -2.201 -1.567 0.228 1.00 92.09 C +HETATM 34 O HYP A 6 -1.958 -1.682 -1.005 1.00 90.35 O +HETATM 35 CB HYP A 6 -4.400 -2.665 0.800 1.00 87.87 C +HETATM 36 CG HYP A 6 -5.817 -2.316 0.402 1.00 86.14 C +HETATM 37 CD HYP A 6 -5.601 -1.254 -0.683 1.00 89.31 C +HETATM 38 OD1 HYP A 6 -6.477 -1.729 1.496 1.00 86.93 O +ATOM 39 N GLY A 7 -1.274 -1.627 1.132 1.00 91.50 N +ATOM 40 CA GLY A 7 0.093 -1.891 0.795 1.00 90.86 C +ATOM 41 C GLY A 7 0.243 -3.306 0.275 1.00 91.52 C +ATOM 42 O GLY A 7 -0.672 -4.122 0.373 1.00 91.07 O +ATOM 43 N PRO A 8 1.395 -3.602 -0.288 1.00 90.50 N +ATOM 44 CA PRO A 8 1.613 -4.930 -0.841 1.00 90.46 C +ATOM 45 C PRO A 8 1.797 -5.996 0.224 1.00 90.43 C +ATOM 46 O PRO A 8 2.229 -5.714 1.340 1.00 87.86 O +ATOM 47 CB PRO A 8 2.869 -4.746 -1.693 1.00 87.51 C +ATOM 48 CG PRO A 8 3.609 -3.674 -0.982 1.00 86.35 C +ATOM 49 CD PRO A 8 2.535 -2.718 -0.521 1.00 88.82 C +HETATM 50 N HYP A 9 1.472 -7.234 -0.192 1.00 88.85 N +HETATM 51 CA HYP A 9 1.656 -8.344 0.681 1.00 87.29 C +HETATM 52 C HYP A 9 3.144 -8.579 0.902 1.00 88.85 C +HETATM 53 O HYP A 9 3.970 -8.188 0.074 1.00 89.58 O +HETATM 54 CB HYP A 9 1.184 -9.594 -0.114 1.00 85.79 C +HETATM 55 CG HYP A 9 0.299 -9.059 -1.182 1.00 83.96 C +HETATM 56 CD HYP A 9 0.853 -7.681 -1.471 1.00 88.08 C +HETATM 57 OD1 HYP A 9 -0.997 -8.920 -0.648 1.00 85.24 O +ATOM 58 N GLY A 10 3.583 -9.191 1.863 1.00 89.36 N +ATOM 59 CA GLY A 10 4.968 -9.537 2.055 1.00 86.59 C +ATOM 60 C GLY A 10 5.082 -10.787 2.908 1.00 86.31 C +ATOM 61 O GLY A 10 4.124 -11.213 3.548 1.00 84.69 O +ATOM 62 N GLU A 11 6.271 -11.358 2.918 1.00 87.61 N +ATOM 63 CA GLU A 11 6.479 -12.563 3.708 1.00 90.20 C +ATOM 64 C GLU A 11 6.376 -12.292 5.202 1.00 90.16 C +ATOM 65 O GLU A 11 6.316 -13.226 6.000 1.00 84.98 O +ATOM 66 CB GLU A 11 7.819 -13.204 3.354 1.00 86.37 C +ATOM 67 CG GLU A 11 9.023 -12.340 3.675 1.00 79.74 C +ATOM 68 CD GLU A 11 10.326 -12.952 3.160 1.00 73.78 C +ATOM 69 OE1 GLU A 11 10.315 -14.130 2.759 1.00 69.46 O +ATOM 70 OE2 GLU A 11 11.349 -12.239 3.154 1.00 70.84 O +ATOM 71 N GLU A 12 6.360 -11.025 5.576 1.00 88.19 N +ATOM 72 CA GLU A 12 6.261 -10.666 6.987 1.00 89.81 C +ATOM 73 C GLU A 12 4.886 -10.154 7.394 1.00 90.07 C +ATOM 74 O GLU A 12 4.703 -9.677 8.511 1.00 84.21 O +ATOM 75 CB GLU A 12 7.337 -9.628 7.335 1.00 84.42 C +ATOM 76 CG GLU A 12 8.741 -10.155 7.171 1.00 77.70 C +ATOM 77 CD GLU A 12 9.822 -9.201 7.661 1.00 72.99 C +ATOM 78 OE1 GLU A 12 9.493 -8.082 8.079 1.00 68.82 O +ATOM 79 OE2 GLU A 12 11.002 -9.578 7.620 1.00 70.56 O +ATOM 80 N GLY A 13 3.909 -10.255 6.517 1.00 92.09 N +ATOM 81 CA GLY A 13 2.584 -9.817 6.894 1.00 90.86 C +ATOM 82 C GLY A 13 1.628 -9.575 5.758 1.00 91.64 C +ATOM 83 O GLY A 13 1.989 -9.686 4.587 1.00 90.95 O +ATOM 84 N PRO A 14 0.386 -9.262 6.109 1.00 91.62 N +ATOM 85 CA PRO A 14 -0.659 -9.006 5.130 1.00 91.65 C +ATOM 86 C PRO A 14 -0.487 -7.640 4.480 1.00 91.62 C +ATOM 87 O PRO A 14 0.438 -6.899 4.802 1.00 89.70 O +ATOM 88 CB PRO A 14 -1.927 -9.077 5.967 1.00 89.55 C +ATOM 89 CG PRO A 14 -1.498 -8.539 7.285 1.00 88.52 C +ATOM 90 CD PRO A 14 -0.120 -9.122 7.487 1.00 90.00 C +HETATM 91 N HYP A 15 -1.436 -7.345 3.579 1.00 92.05 N +HETATM 92 CA HYP A 15 -1.394 -6.054 2.948 1.00 92.65 C +HETATM 93 C HYP A 15 -1.405 -4.953 3.974 1.00 92.87 C +HETATM 94 O HYP A 15 -2.046 -5.101 5.046 1.00 92.25 O +HETATM 95 CB HYP A 15 -2.703 -6.030 2.122 1.00 89.90 C +HETATM 96 CG HYP A 15 -2.996 -7.472 1.852 1.00 86.90 C +HETATM 97 CD HYP A 15 -2.545 -8.168 3.130 1.00 90.82 C +HETATM 98 OD1 HYP A 15 -2.209 -7.906 0.804 1.00 87.85 O +ATOM 99 N GLY A 16 -0.696 -3.902 3.681 1.00 93.32 N +ATOM 100 CA GLY A 16 -0.656 -2.780 4.577 1.00 93.45 C +ATOM 101 C GLY A 16 -1.982 -2.045 4.565 1.00 94.24 C +ATOM 102 O GLY A 16 -2.871 -2.358 3.764 1.00 93.72 O +ATOM 103 N PRO A 17 -2.126 -1.069 5.445 1.00 91.83 N +ATOM 104 CA PRO A 17 -3.363 -0.307 5.503 1.00 92.18 C +ATOM 105 C PRO A 17 -3.512 0.618 4.306 1.00 92.83 C +ATOM 106 O PRO A 17 -2.554 0.882 3.589 1.00 91.46 O +ATOM 107 CB PRO A 17 -3.229 0.474 6.809 1.00 90.27 C +ATOM 108 CG PRO A 17 -1.762 0.637 6.966 1.00 89.07 C +ATOM 109 CD PRO A 17 -1.169 -0.645 6.460 1.00 90.83 C +HETATM 110 N HYP A 18 -4.728 1.084 4.068 1.00 91.28 N +HETATM 111 CA HYP A 18 -4.943 2.041 3.052 1.00 91.49 C +HETATM 112 C HYP A 18 -4.099 3.267 3.205 1.00 92.79 C +HETATM 113 O HYP A 18 -3.815 3.675 4.362 1.00 92.28 O +HETATM 114 CB HYP A 18 -6.444 2.380 3.198 1.00 89.29 C +HETATM 115 CG HYP A 18 -7.052 1.145 3.820 1.00 87.40 C +HETATM 116 CD HYP A 18 -5.943 0.684 4.759 1.00 91.18 C +HETATM 117 OD1 HYP A 18 -7.267 0.179 2.818 1.00 88.56 O +ATOM 118 N GLY A 19 -3.673 3.824 2.129 1.00 91.23 N +ATOM 119 CA GLY A 19 -2.873 5.012 2.168 1.00 91.39 C +ATOM 120 C GLY A 19 -3.698 6.182 2.670 1.00 92.20 C +ATOM 121 O GLY A 19 -4.914 6.079 2.837 1.00 92.02 O +ATOM 122 N PRO A 20 -3.045 7.303 2.912 1.00 86.12 N +ATOM 123 CA PRO A 20 -3.749 8.472 3.406 1.00 86.99 C +ATOM 124 C PRO A 20 -4.637 9.106 2.352 1.00 86.90 C +ATOM 125 O PRO A 20 -4.453 8.890 1.158 1.00 86.94 O +ATOM 126 CB PRO A 20 -2.611 9.406 3.818 1.00 83.91 C +ATOM 127 CG PRO A 20 -1.519 9.046 2.870 1.00 80.43 C +ATOM 128 CD PRO A 20 -1.613 7.546 2.751 1.00 83.07 C +HETATM 129 N HYP A 21 -5.593 9.865 2.808 1.00 90.75 N +HETATM 130 CA HYP A 21 -6.416 10.596 1.895 1.00 86.79 C +HETATM 131 C HYP A 21 -5.643 11.545 1.014 1.00 89.68 C +HETATM 132 O HYP A 21 -4.608 12.070 1.471 1.00 91.97 O +HETATM 133 CB HYP A 21 -7.354 11.406 2.835 1.00 86.85 C +HETATM 134 CG HYP A 21 -7.394 10.616 4.130 1.00 83.44 C +HETATM 135 CD HYP A 21 -5.983 10.048 4.219 1.00 89.97 C +HETATM 136 OD1 HYP A 21 -8.290 9.524 3.980 1.00 84.93 O +ATOM 137 N GLY A 22 -6.027 11.690 -0.187 1.00 87.24 N +ATOM 138 CA GLY A 22 -5.372 12.616 -1.062 1.00 85.46 C +ATOM 139 C GLY A 22 -5.705 14.037 -0.635 1.00 85.80 C +ATOM 140 O GLY A 22 -6.440 14.252 0.327 1.00 85.12 O +ATOM 141 N PRO A 23 -5.193 15.035 -1.351 1.00 90.34 N +ATOM 142 CA PRO A 23 -5.466 16.424 -1.015 1.00 90.47 C +ATOM 143 C PRO A 23 -6.948 16.728 -1.111 1.00 89.30 C +ATOM 144 O PRO A 23 -7.687 16.044 -1.807 1.00 84.92 O +ATOM 145 CB PRO A 23 -4.680 17.213 -2.058 1.00 86.30 C +ATOM 146 CG PRO A 23 -3.671 16.258 -2.562 1.00 84.12 C +ATOM 147 CD PRO A 23 -4.314 14.921 -2.509 1.00 86.82 C +HETATM 148 N HYP A 24 -7.407 17.739 -0.482 1.00 90.85 N +HETATM 149 CA HYP A 24 -8.827 18.044 -0.651 1.00 85.04 C +HETATM 150 C HYP A 24 -9.243 17.834 -2.024 1.00 87.97 C +HETATM 151 O HYP A 24 -8.907 18.668 -2.869 1.00 81.42 O +HETATM 152 CB HYP A 24 -8.963 19.424 -0.062 1.00 83.79 C +HETATM 153 CG HYP A 24 -7.766 19.646 0.861 1.00 82.66 C +HETATM 154 CD HYP A 24 -6.674 18.752 0.262 1.00 88.19 C +HETATM 155 OD1 HYP A 24 -8.062 19.126 2.162 1.00 83.12 O +HETATM 156 OXT HYP A 24 -9.885 16.784 -2.219 1.00 77.99 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_155.txt b/protein_pdb_155.txt new file mode 100644 index 0000000000000000000000000000000000000000..2bfbe18dbeb77431ee93ff86811db1aa0a6dc6ae --- /dev/null +++ b/protein_pdb_155.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -7.045 14.148 -3.644 1.00 90.24 N +ATOM 2 CA GLY A 1 -6.827 12.923 -4.343 1.00 91.14 C +ATOM 3 C GLY A 1 -7.440 11.700 -3.679 1.00 91.92 C +ATOM 4 O GLY A 1 -7.903 11.771 -2.545 1.00 89.62 O +ATOM 5 N PRO A 2 -7.403 10.631 -4.346 1.00 90.93 N +ATOM 6 CA PRO A 2 -7.963 9.397 -3.829 1.00 91.59 C +ATOM 7 C PRO A 2 -7.047 8.739 -2.805 1.00 91.31 C +ATOM 8 O PRO A 2 -5.874 9.088 -2.690 1.00 89.33 O +ATOM 9 CB PRO A 2 -8.089 8.536 -5.086 1.00 88.61 C +ATOM 10 CG PRO A 2 -6.970 9.005 -5.945 1.00 84.60 C +ATOM 11 CD PRO A 2 -6.869 10.485 -5.695 1.00 87.46 C +HETATM 12 N HYP A 3 -7.618 7.777 -2.087 1.00 90.75 N +HETATM 13 CA HYP A 3 -6.810 7.032 -1.113 1.00 90.55 C +HETATM 14 C HYP A 3 -5.683 6.257 -1.807 1.00 91.39 C +HETATM 15 O HYP A 3 -5.858 5.806 -2.960 1.00 93.47 O +HETATM 16 CB HYP A 3 -7.842 6.018 -0.517 1.00 89.78 C +HETATM 17 CG HYP A 3 -9.168 6.715 -0.672 1.00 86.67 C +HETATM 18 CD HYP A 3 -9.003 7.453 -2.045 1.00 90.36 C +HETATM 19 OD1 HYP A 3 -9.289 7.649 0.340 1.00 89.37 O +ATOM 20 N GLY A 4 -4.572 6.179 -1.121 1.00 92.90 N +ATOM 21 CA GLY A 4 -3.469 5.419 -1.638 1.00 92.18 C +ATOM 22 C GLY A 4 -3.767 3.932 -1.632 1.00 92.81 C +ATOM 23 O GLY A 4 -4.746 3.473 -1.045 1.00 92.52 O +ATOM 24 N PRO A 5 -2.912 3.147 -2.300 1.00 93.00 N +ATOM 25 CA PRO A 5 -3.109 1.707 -2.358 1.00 92.76 C +ATOM 26 C PRO A 5 -2.812 1.048 -1.015 1.00 92.44 C +ATOM 27 O PRO A 5 -2.163 1.630 -0.156 1.00 90.99 O +ATOM 28 CB PRO A 5 -2.120 1.261 -3.433 1.00 90.93 C +ATOM 29 CG PRO A 5 -1.020 2.260 -3.329 1.00 88.78 C +ATOM 30 CD PRO A 5 -1.691 3.564 -2.994 1.00 91.44 C +HETATM 31 N HYP A 6 -3.333 -0.190 -0.876 1.00 91.56 N +HETATM 32 CA HYP A 6 -2.991 -0.972 0.302 1.00 93.96 C +HETATM 33 C HYP A 6 -1.502 -1.148 0.454 1.00 92.79 C +HETATM 34 O HYP A 6 -0.768 -1.223 -0.580 1.00 93.12 O +HETATM 35 CB HYP A 6 -3.710 -2.312 0.057 1.00 90.67 C +HETATM 36 CG HYP A 6 -4.873 -1.971 -0.869 1.00 89.21 C +HETATM 37 CD HYP A 6 -4.264 -0.881 -1.767 1.00 91.53 C +HETATM 38 OD1 HYP A 6 -5.928 -1.427 -0.129 1.00 89.53 O +ATOM 39 N GLY A 7 -1.020 -1.131 1.651 1.00 93.40 N +ATOM 40 CA GLY A 7 0.375 -1.364 1.901 1.00 92.46 C +ATOM 41 C GLY A 7 0.768 -2.786 1.528 1.00 92.62 C +ATOM 42 O GLY A 7 -0.079 -3.642 1.280 1.00 92.64 O +ATOM 43 N PRO A 8 2.064 -3.043 1.490 1.00 92.80 N +ATOM 44 CA PRO A 8 2.529 -4.383 1.156 1.00 92.26 C +ATOM 45 C PRO A 8 2.239 -5.368 2.278 1.00 92.23 C +ATOM 46 O PRO A 8 2.046 -4.986 3.425 1.00 90.85 O +ATOM 47 CB PRO A 8 4.031 -4.197 0.945 1.00 90.43 C +ATOM 48 CG PRO A 8 4.365 -3.026 1.792 1.00 89.04 C +ATOM 49 CD PRO A 8 3.162 -2.127 1.765 1.00 91.52 C +HETATM 50 N HYP A 9 2.224 -6.675 1.921 1.00 91.35 N +HETATM 51 CA HYP A 9 2.013 -7.680 2.886 1.00 90.69 C +HETATM 52 C HYP A 9 3.124 -7.721 3.918 1.00 90.55 C +HETATM 53 O HYP A 9 4.304 -7.511 3.562 1.00 91.87 O +HETATM 54 CB HYP A 9 2.022 -9.022 2.089 1.00 88.63 C +HETATM 55 CG HYP A 9 1.671 -8.639 0.705 1.00 87.27 C +HETATM 56 CD HYP A 9 2.252 -7.253 0.540 1.00 90.92 C +HETATM 57 OD1 HYP A 9 0.268 -8.575 0.611 1.00 85.72 O +ATOM 58 N GLY A 10 2.823 -7.874 5.164 1.00 91.40 N +ATOM 59 CA GLY A 10 3.830 -8.153 6.158 1.00 88.39 C +ATOM 60 C GLY A 10 4.414 -9.530 5.908 1.00 87.51 C +ATOM 61 O GLY A 10 3.935 -10.286 5.059 1.00 85.68 O +ATOM 62 N LYS A 11 5.449 -9.877 6.658 1.00 90.39 N +ATOM 63 CA LYS A 11 6.085 -11.173 6.434 1.00 91.10 C +ATOM 64 C LYS A 11 5.123 -12.342 6.624 1.00 89.96 C +ATOM 65 O LYS A 11 5.294 -13.387 5.989 1.00 86.47 O +ATOM 66 CB LYS A 11 7.327 -11.316 7.313 1.00 87.66 C +ATOM 67 CG LYS A 11 8.460 -10.419 6.845 1.00 83.21 C +ATOM 68 CD LYS A 11 9.770 -10.729 7.512 1.00 78.06 C +ATOM 69 CE LYS A 11 10.881 -9.856 6.928 1.00 73.43 C +ATOM 70 NZ LYS A 11 12.207 -10.212 7.472 1.00 67.79 N +ATOM 71 N GLU A 12 4.120 -12.160 7.470 1.00 90.29 N +ATOM 72 CA GLU A 12 3.079 -13.169 7.674 1.00 91.91 C +ATOM 73 C GLU A 12 1.693 -12.533 7.736 1.00 92.77 C +ATOM 74 O GLU A 12 0.772 -13.093 8.323 1.00 87.85 O +ATOM 75 CB GLU A 12 3.357 -13.985 8.944 1.00 88.60 C +ATOM 76 CG GLU A 12 4.625 -14.828 8.851 1.00 82.21 C +ATOM 77 CD GLU A 12 4.838 -15.757 10.032 1.00 76.74 C +ATOM 78 OE1 GLU A 12 4.143 -15.597 11.057 1.00 70.93 O +ATOM 79 OE2 GLU A 12 5.696 -16.646 9.938 1.00 72.97 O +ATOM 80 N GLY A 13 1.523 -11.367 7.135 1.00 93.09 N +ATOM 81 CA GLY A 13 0.297 -10.608 7.302 1.00 91.96 C +ATOM 82 C GLY A 13 -0.306 -10.102 6.011 1.00 92.24 C +ATOM 83 O GLY A 13 0.302 -10.180 4.941 1.00 91.01 O +ATOM 84 N PRO A 14 -1.523 -9.594 6.109 1.00 94.52 N +ATOM 85 CA PRO A 14 -2.237 -9.064 4.958 1.00 94.15 C +ATOM 86 C PRO A 14 -1.701 -7.708 4.535 1.00 94.32 C +ATOM 87 O PRO A 14 -0.863 -7.116 5.210 1.00 92.53 O +ATOM 88 CB PRO A 14 -3.675 -8.949 5.469 1.00 92.44 C +ATOM 89 CG PRO A 14 -3.505 -8.645 6.919 1.00 91.18 C +ATOM 90 CD PRO A 14 -2.295 -9.428 7.349 1.00 92.85 C +HETATM 91 N HYP A 15 -2.214 -7.249 3.381 1.00 92.25 N +HETATM 92 CA HYP A 15 -1.885 -5.917 2.942 1.00 92.65 C +HETATM 93 C HYP A 15 -2.193 -4.902 3.989 1.00 93.37 C +HETATM 94 O HYP A 15 -3.188 -5.070 4.749 1.00 93.97 O +HETATM 95 CB HYP A 15 -2.735 -5.741 1.677 1.00 90.51 C +HETATM 96 CG HYP A 15 -2.944 -7.142 1.156 1.00 89.33 C +HETATM 97 CD HYP A 15 -3.074 -7.962 2.435 1.00 91.97 C +HETATM 98 OD1 HYP A 15 -1.834 -7.545 0.419 1.00 90.24 O +ATOM 99 N GLY A 16 -1.395 -3.871 4.072 1.00 95.32 N +ATOM 100 CA GLY A 16 -1.676 -2.784 4.972 1.00 94.75 C +ATOM 101 C GLY A 16 -2.890 -1.997 4.524 1.00 94.94 C +ATOM 102 O GLY A 16 -3.429 -2.221 3.439 1.00 94.30 O +ATOM 103 N PRO A 17 -3.328 -1.063 5.366 1.00 93.13 N +ATOM 104 CA PRO A 17 -4.495 -0.254 5.027 1.00 92.58 C +ATOM 105 C PRO A 17 -4.195 0.711 3.888 1.00 93.03 C +ATOM 106 O PRO A 17 -3.037 0.990 3.582 1.00 91.35 O +ATOM 107 CB PRO A 17 -4.794 0.490 6.323 1.00 91.18 C +ATOM 108 CG PRO A 17 -3.481 0.559 7.015 1.00 89.73 C +ATOM 109 CD PRO A 17 -2.761 -0.703 6.654 1.00 91.39 C +HETATM 110 N HYP A 18 -5.268 1.204 3.248 1.00 88.08 N +HETATM 111 CA HYP A 18 -5.108 2.201 2.239 1.00 89.09 C +HETATM 112 C HYP A 18 -4.399 3.424 2.738 1.00 90.49 C +HETATM 113 O HYP A 18 -4.564 3.798 3.927 1.00 92.38 O +HETATM 114 CB HYP A 18 -6.560 2.515 1.824 1.00 87.81 C +HETATM 115 CG HYP A 18 -7.333 1.242 2.131 1.00 86.88 C +HETATM 116 CD HYP A 18 -6.652 0.764 3.412 1.00 90.45 C +HETATM 117 OD1 HYP A 18 -7.138 0.306 1.091 1.00 88.37 O +ATOM 118 N GLY A 19 -3.584 3.999 1.908 1.00 89.03 N +ATOM 119 CA GLY A 19 -2.916 5.217 2.260 1.00 88.49 C +ATOM 120 C GLY A 19 -3.904 6.360 2.412 1.00 88.70 C +ATOM 121 O GLY A 19 -5.081 6.236 2.062 1.00 88.95 O +ATOM 122 N PRO A 20 -3.436 7.479 2.930 1.00 87.42 N +ATOM 123 CA PRO A 20 -4.306 8.628 3.116 1.00 87.59 C +ATOM 124 C PRO A 20 -4.679 9.260 1.782 1.00 87.00 C +ATOM 125 O PRO A 20 -4.015 9.051 0.775 1.00 87.09 O +ATOM 126 CB PRO A 20 -3.453 9.575 3.959 1.00 85.77 C +ATOM 127 CG PRO A 20 -2.056 9.236 3.565 1.00 83.07 C +ATOM 128 CD PRO A 20 -2.062 7.754 3.334 1.00 85.97 C +HETATM 129 N HYP A 21 -5.759 10.012 1.809 1.00 88.55 N +HETATM 130 CA HYP A 21 -6.130 10.771 0.639 1.00 88.49 C +HETATM 131 C HYP A 21 -5.057 11.715 0.173 1.00 86.88 C +HETATM 132 O HYP A 21 -4.328 12.263 1.024 1.00 92.14 O +HETATM 133 CB HYP A 21 -7.386 11.528 1.082 1.00 87.16 C +HETATM 134 CG HYP A 21 -7.964 10.720 2.211 1.00 84.41 C +HETATM 135 CD HYP A 21 -6.737 10.166 2.904 1.00 90.36 C +HETATM 136 OD1 HYP A 21 -8.709 9.627 1.672 1.00 83.37 O +ATOM 137 N GLY A 22 -4.867 11.822 -1.089 1.00 87.24 N +ATOM 138 CA GLY A 22 -3.965 12.814 -1.604 1.00 84.56 C +ATOM 139 C GLY A 22 -4.534 14.206 -1.342 1.00 84.60 C +ATOM 140 O GLY A 22 -5.671 14.351 -0.906 1.00 84.20 O +ATOM 141 N PRO A 23 -3.754 15.248 -1.610 1.00 90.54 N +ATOM 142 CA PRO A 23 -4.265 16.593 -1.406 1.00 90.47 C +ATOM 143 C PRO A 23 -5.370 16.886 -2.418 1.00 88.90 C +ATOM 144 O PRO A 23 -5.151 16.794 -3.620 1.00 84.78 O +ATOM 145 CB PRO A 23 -3.035 17.487 -1.611 1.00 87.50 C +ATOM 146 CG PRO A 23 -2.087 16.665 -2.401 1.00 84.43 C +ATOM 147 CD PRO A 23 -2.388 15.227 -2.102 1.00 88.10 C +HETATM 148 N HYP A 24 -6.532 17.048 -2.040 1.00 92.85 N +HETATM 149 CA HYP A 24 -7.755 16.916 -2.971 1.00 86.94 C +HETATM 150 C HYP A 24 -7.986 15.775 -3.699 1.00 92.57 C +HETATM 151 O HYP A 24 -9.078 15.053 -3.696 1.00 91.39 O +HETATM 152 CB HYP A 24 -8.776 17.709 -2.251 1.00 87.86 C +HETATM 153 CG HYP A 24 -8.036 18.572 -1.257 1.00 86.39 C +HETATM 154 CD HYP A 24 -6.659 17.985 -1.030 1.00 90.67 C +HETATM 155 OD1 HYP A 24 -8.643 19.336 -0.400 1.00 87.69 O +HETATM 156 OXT HYP A 24 -7.483 15.741 -4.892 1.00 86.59 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_156.txt b/protein_pdb_156.txt new file mode 100644 index 0000000000000000000000000000000000000000..61feb93e8a61a931dadedeb031caa7dc637e9fc9 --- /dev/null +++ b/protein_pdb_156.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -27.136 -5.394 26.218 1.00 89.14 N +ATOM 2 CA GLY A 1 -25.715 -5.677 26.378 1.00 91.33 C +ATOM 3 C GLY A 1 -24.855 -4.622 25.717 1.00 91.53 C +ATOM 4 O GLY A 1 -25.366 -3.786 24.972 1.00 88.58 O +ATOM 5 N PRO A 2 -23.549 -4.623 25.962 1.00 93.04 N +ATOM 6 CA PRO A 2 -22.659 -3.627 25.350 1.00 94.08 C +ATOM 7 C PRO A 2 -22.520 -3.836 23.847 1.00 94.03 C +ATOM 8 O PRO A 2 -22.744 -4.928 23.339 1.00 92.80 O +ATOM 9 CB PRO A 2 -21.321 -3.846 26.061 1.00 92.81 C +ATOM 10 CG PRO A 2 -21.361 -5.266 26.486 1.00 89.82 C +ATOM 11 CD PRO A 2 -22.805 -5.567 26.794 1.00 91.50 C +HETATM 12 N HYP A 3 -22.237 -2.845 23.181 1.00 90.47 N +HETATM 13 CA HYP A 3 -21.898 -2.868 21.718 1.00 90.36 C +HETATM 14 C HYP A 3 -20.811 -3.874 21.427 1.00 88.38 C +HETATM 15 O HYP A 3 -19.915 -4.101 22.257 1.00 92.49 O +HETATM 16 CB HYP A 3 -21.532 -1.435 21.438 1.00 88.62 C +HETATM 17 CG HYP A 3 -22.207 -0.610 22.506 1.00 86.14 C +HETATM 18 CD HYP A 3 -22.099 -1.502 23.731 1.00 90.08 C +HETATM 19 OD1 HYP A 3 -23.550 -0.349 22.214 1.00 90.27 O +ATOM 20 N GLY A 4 -20.854 -4.469 20.230 1.00 92.50 N +ATOM 21 CA GLY A 4 -19.814 -5.377 19.794 1.00 92.25 C +ATOM 22 C GLY A 4 -18.505 -4.651 19.531 1.00 91.91 C +ATOM 23 O GLY A 4 -18.461 -3.417 19.502 1.00 91.25 O +ATOM 24 N PRO A 5 -17.420 -5.398 19.327 1.00 93.94 N +ATOM 25 CA PRO A 5 -16.123 -4.775 19.068 1.00 93.96 C +ATOM 26 C PRO A 5 -16.098 -4.060 17.720 1.00 94.04 C +ATOM 27 O PRO A 5 -16.877 -4.376 16.821 1.00 93.09 O +ATOM 28 CB PRO A 5 -15.143 -5.948 19.100 1.00 92.81 C +ATOM 29 CG PRO A 5 -15.977 -7.125 18.735 1.00 90.57 C +ATOM 30 CD PRO A 5 -17.350 -6.852 19.292 1.00 92.23 C +HETATM 31 N HYP A 6 -15.243 -3.098 17.584 1.00 89.38 N +HETATM 32 CA HYP A 6 -15.007 -2.418 16.283 1.00 90.98 C +HETATM 33 C HYP A 6 -14.617 -3.370 15.194 1.00 83.17 C +HETATM 34 O HYP A 6 -13.939 -4.398 15.492 1.00 90.27 O +HETATM 35 CB HYP A 6 -13.893 -1.396 16.634 1.00 80.33 C +HETATM 36 CG HYP A 6 -14.051 -1.135 18.106 1.00 82.19 C +HETATM 37 CD HYP A 6 -14.453 -2.502 18.637 1.00 84.75 C +HETATM 38 OD1 HYP A 6 -15.070 -0.200 18.378 1.00 89.06 O +ATOM 39 N GLY A 7 -15.007 -3.092 13.951 1.00 92.02 N +ATOM 40 CA GLY A 7 -14.651 -3.901 12.804 1.00 91.05 C +ATOM 41 C GLY A 7 -13.158 -3.858 12.517 1.00 90.60 C +ATOM 42 O GLY A 7 -12.429 -3.034 13.076 1.00 90.07 O +ATOM 43 N PRO A 8 -12.699 -4.730 11.627 1.00 90.04 N +ATOM 44 CA PRO A 8 -11.275 -4.763 11.292 1.00 90.45 C +ATOM 45 C PRO A 8 -10.858 -3.542 10.478 1.00 89.92 C +ATOM 46 O PRO A 8 -11.682 -2.903 9.834 1.00 89.00 O +ATOM 47 CB PRO A 8 -11.128 -6.051 10.483 1.00 89.25 C +ATOM 48 CG PRO A 8 -12.472 -6.245 9.880 1.00 88.87 C +ATOM 49 CD PRO A 8 -13.461 -5.711 10.886 1.00 90.06 C +HETATM 50 N HYP A 9 -9.595 -3.222 10.469 1.00 84.07 N +HETATM 51 CA HYP A 9 -9.029 -2.154 9.682 1.00 85.17 C +HETATM 52 C HYP A 9 -9.199 -2.394 8.219 1.00 80.88 C +HETATM 53 O HYP A 9 -9.163 -3.553 7.747 1.00 82.72 O +HETATM 54 CB HYP A 9 -7.489 -2.199 10.050 1.00 81.89 C +HETATM 55 CG HYP A 9 -7.485 -2.775 11.433 1.00 81.83 C +HETATM 56 CD HYP A 9 -8.609 -3.787 11.365 1.00 82.39 C +HETATM 57 OD1 HYP A 9 -7.783 -1.781 12.377 1.00 81.97 O +ATOM 58 N GLY A 10 -9.364 -1.311 7.451 1.00 87.51 N +ATOM 59 CA GLY A 10 -9.487 -1.412 6.015 1.00 85.25 C +ATOM 60 C GLY A 10 -8.225 -1.964 5.376 1.00 84.34 C +ATOM 61 O GLY A 10 -7.134 -1.922 5.947 1.00 82.77 O +ATOM 62 N LYS A 11 -8.395 -2.488 4.164 1.00 85.63 N +ATOM 63 CA LYS A 11 -7.273 -3.033 3.398 1.00 86.97 C +ATOM 64 C LYS A 11 -6.313 -1.911 3.003 1.00 85.71 C +ATOM 65 O LYS A 11 -6.726 -0.791 2.729 1.00 84.93 O +ATOM 66 CB LYS A 11 -7.808 -3.763 2.159 1.00 83.28 C +ATOM 67 CG LYS A 11 -6.785 -4.627 1.449 1.00 79.57 C +ATOM 68 CD LYS A 11 -7.420 -5.374 0.284 1.00 75.54 C +ATOM 69 CE LYS A 11 -6.508 -6.435 -0.306 1.00 72.25 C +ATOM 70 NZ LYS A 11 -5.322 -5.842 -0.949 1.00 66.63 N +ATOM 71 N ALA A 12 -5.016 -2.226 2.979 1.00 83.90 N +ATOM 72 CA ALA A 12 -4.012 -1.250 2.570 1.00 84.82 C +ATOM 73 C ALA A 12 -4.255 -0.809 1.130 1.00 86.02 C +ATOM 74 O ALA A 12 -4.694 -1.600 0.297 1.00 80.31 O +ATOM 75 CB ALA A 12 -2.615 -1.833 2.715 1.00 80.72 C +ATOM 76 N GLY A 13 -3.984 0.464 0.864 1.00 83.87 N +ATOM 77 CA GLY A 13 -4.165 0.997 -0.477 1.00 82.67 C +ATOM 78 C GLY A 13 -3.149 0.456 -1.464 1.00 83.11 C +ATOM 79 O GLY A 13 -2.187 -0.215 -1.080 1.00 82.96 O +ATOM 80 N PRO A 14 -3.338 0.736 -2.770 1.00 84.71 N +ATOM 81 CA PRO A 14 -2.414 0.237 -3.785 1.00 86.68 C +ATOM 82 C PRO A 14 -1.063 0.944 -3.714 1.00 86.41 C +ATOM 83 O PRO A 14 -0.950 2.037 -3.169 1.00 84.47 O +ATOM 84 CB PRO A 14 -3.128 0.546 -5.102 1.00 85.30 C +ATOM 85 CG PRO A 14 -3.990 1.714 -4.786 1.00 83.79 C +ATOM 86 CD PRO A 14 -4.412 1.528 -3.351 1.00 83.36 C +HETATM 87 N HYP A 15 -0.047 0.327 -4.296 1.00 72.56 N +HETATM 88 CA HYP A 15 1.280 0.905 -4.400 1.00 76.38 C +HETATM 89 C HYP A 15 1.274 2.223 -5.171 1.00 82.78 C +HETATM 90 O HYP A 15 0.442 2.376 -6.086 1.00 75.86 O +HETATM 91 CB HYP A 15 2.065 -0.181 -5.109 1.00 76.08 C +HETATM 92 CG HYP A 15 1.340 -1.455 -4.765 1.00 71.77 C +HETATM 93 CD HYP A 15 -0.099 -1.025 -4.773 1.00 75.52 C +HETATM 94 OD1 HYP A 15 1.700 -1.930 -3.507 1.00 80.33 O +ATOM 95 N GLY A 16 2.110 3.113 -4.777 1.00 87.31 N +ATOM 96 CA GLY A 16 2.256 4.339 -5.513 1.00 86.05 C +ATOM 97 C GLY A 16 2.907 4.102 -6.872 1.00 86.83 C +ATOM 98 O GLY A 16 3.387 3.004 -7.155 1.00 87.56 O +ATOM 99 N PRO A 17 2.924 5.144 -7.731 1.00 81.30 N +ATOM 100 CA PRO A 17 3.530 4.989 -9.052 1.00 84.98 C +ATOM 101 C PRO A 17 5.044 4.838 -8.960 1.00 84.82 C +ATOM 102 O PRO A 17 5.660 5.259 -7.990 1.00 85.06 O +ATOM 103 CB PRO A 17 3.142 6.282 -9.772 1.00 83.78 C +ATOM 104 CG PRO A 17 2.945 7.257 -8.675 1.00 79.95 C +ATOM 105 CD PRO A 17 2.402 6.478 -7.512 1.00 79.38 C +HETATM 106 N HYP A 18 5.643 4.231 -9.985 1.00 82.59 N +HETATM 107 CA HYP A 18 7.085 4.133 -10.073 1.00 86.18 C +HETATM 108 C HYP A 18 7.773 5.497 -10.126 1.00 80.25 C +HETATM 109 O HYP A 18 7.208 6.464 -10.694 1.00 85.21 O +HETATM 110 CB HYP A 18 7.309 3.361 -11.361 1.00 80.96 C +HETATM 111 CG HYP A 18 6.038 2.568 -11.585 1.00 78.18 C +HETATM 112 CD HYP A 18 4.984 3.491 -11.050 1.00 83.78 C +HETATM 113 OD1 HYP A 18 6.044 1.377 -10.862 1.00 88.29 O +ATOM 114 N GLY A 19 8.916 5.616 -9.493 1.00 89.20 N +ATOM 115 CA GLY A 19 9.677 6.839 -9.531 1.00 88.19 C +ATOM 116 C GLY A 19 10.247 7.087 -10.923 1.00 88.61 C +ATOM 117 O GLY A 19 10.224 6.205 -11.780 1.00 88.00 O +ATOM 118 N PRO A 20 10.780 8.293 -11.158 1.00 90.31 N +ATOM 119 CA PRO A 20 11.361 8.598 -12.462 1.00 90.45 C +ATOM 120 C PRO A 20 12.675 7.855 -12.677 1.00 90.41 C +ATOM 121 O PRO A 20 13.323 7.430 -11.724 1.00 88.58 O +ATOM 122 CB PRO A 20 11.580 10.115 -12.403 1.00 87.99 C +ATOM 123 CG PRO A 20 11.752 10.398 -10.953 1.00 85.20 C +ATOM 124 CD PRO A 20 10.872 9.409 -10.229 1.00 87.43 C +HETATM 125 N HYP A 21 13.088 7.676 -13.955 1.00 90.76 N +HETATM 126 CA HYP A 21 14.371 7.090 -14.269 1.00 89.58 C +HETATM 127 C HYP A 21 15.557 7.861 -13.701 1.00 89.66 C +HETATM 128 O HYP A 21 15.465 9.085 -13.561 1.00 92.34 O +HETATM 129 CB HYP A 21 14.417 7.134 -15.800 1.00 89.56 C +HETATM 130 CG HYP A 21 12.967 7.119 -16.235 1.00 86.11 C +HETATM 131 CD HYP A 21 12.288 7.926 -15.150 1.00 88.82 C +HETATM 132 OD1 HYP A 21 12.447 5.813 -16.245 1.00 89.53 O +ATOM 133 N GLY A 22 16.593 7.189 -13.303 1.00 90.11 N +ATOM 134 CA GLY A 22 17.788 7.833 -12.809 1.00 89.96 C +ATOM 135 C GLY A 22 18.465 8.661 -13.889 1.00 90.44 C +ATOM 136 O GLY A 22 18.097 8.586 -15.063 1.00 88.65 O +ATOM 137 N PRO A 23 19.495 9.445 -13.537 1.00 92.31 N +ATOM 138 CA PRO A 23 20.184 10.267 -14.529 1.00 92.76 C +ATOM 139 C PRO A 23 20.953 9.408 -15.524 1.00 92.33 C +ATOM 140 O PRO A 23 21.390 8.304 -15.197 1.00 89.45 O +ATOM 141 CB PRO A 23 21.118 11.141 -13.694 1.00 89.83 C +ATOM 142 CG PRO A 23 21.338 10.356 -12.449 1.00 86.57 C +ATOM 143 CD PRO A 23 20.066 9.593 -12.213 1.00 89.53 C +HETATM 144 N HYP A 24 21.221 9.902 -16.746 1.00 91.57 N +HETATM 145 CA HYP A 24 21.930 9.115 -17.732 1.00 89.92 C +HETATM 146 C HYP A 24 23.341 8.765 -17.318 1.00 89.19 C +HETATM 147 O HYP A 24 23.928 9.545 -16.564 1.00 90.16 O +HETATM 148 CB HYP A 24 22.005 10.061 -19.002 1.00 91.68 C +HETATM 149 CG HYP A 24 20.934 11.080 -18.789 1.00 89.05 C +HETATM 150 CD HYP A 24 20.819 11.199 -17.262 1.00 91.05 C +HETATM 151 OD1 HYP A 24 19.724 10.591 -19.316 1.00 86.01 O +HETATM 152 OXT HYP A 24 23.833 7.733 -17.813 1.00 85.58 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_157.txt b/protein_pdb_157.txt new file mode 100644 index 0000000000000000000000000000000000000000..ff7de6c1846cf52eda632053533d7ff2b50ff340 --- /dev/null +++ b/protein_pdb_157.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 9.826 -5.388 -10.256 1.00 87.30 N +ATOM 2 CA GLY A 1 9.369 -4.046 -10.574 1.00 88.93 C +ATOM 3 C GLY A 1 9.315 -3.185 -9.342 1.00 90.72 C +ATOM 4 O GLY A 1 9.641 -3.633 -8.247 1.00 88.12 O +ATOM 5 N PRO A 2 8.896 -1.943 -9.496 1.00 90.02 N +ATOM 6 CA PRO A 2 8.840 -1.034 -8.359 1.00 91.08 C +ATOM 7 C PRO A 2 7.763 -1.431 -7.365 1.00 91.64 C +ATOM 8 O PRO A 2 6.840 -2.171 -7.689 1.00 90.20 O +ATOM 9 CB PRO A 2 8.531 0.322 -8.990 1.00 87.91 C +ATOM 10 CG PRO A 2 7.849 -0.012 -10.259 1.00 84.07 C +ATOM 11 CD PRO A 2 8.448 -1.294 -10.735 1.00 85.79 C +HETATM 12 N HYP A 3 7.918 -0.959 -6.184 1.00 93.56 N +HETATM 13 CA HYP A 3 6.882 -1.175 -5.160 1.00 90.85 C +HETATM 14 C HYP A 3 5.567 -0.625 -5.589 1.00 94.68 C +HETATM 15 O HYP A 3 5.501 0.369 -6.351 1.00 93.98 O +HETATM 16 CB HYP A 3 7.473 -0.425 -3.946 1.00 92.31 C +HETATM 17 CG HYP A 3 8.962 -0.485 -4.165 1.00 89.61 C +HETATM 18 CD HYP A 3 9.079 -0.276 -5.687 1.00 91.63 C +HETATM 19 OD1 HYP A 3 9.407 -1.773 -3.834 1.00 90.83 O +ATOM 20 N GLY A 4 4.520 -1.273 -5.149 1.00 93.92 N +ATOM 21 CA GLY A 4 3.193 -0.805 -5.437 1.00 93.29 C +ATOM 22 C GLY A 4 2.901 0.514 -4.753 1.00 93.81 C +ATOM 23 O GLY A 4 3.681 0.988 -3.921 1.00 93.85 O +ATOM 24 N PRO A 5 1.779 1.118 -5.097 1.00 93.72 N +ATOM 25 CA PRO A 5 1.420 2.394 -4.489 1.00 92.98 C +ATOM 26 C PRO A 5 1.012 2.223 -3.036 1.00 92.93 C +ATOM 27 O PRO A 5 0.715 1.126 -2.580 1.00 92.45 O +ATOM 28 CB PRO A 5 0.246 2.868 -5.346 1.00 91.49 C +ATOM 29 CG PRO A 5 -0.358 1.616 -5.862 1.00 89.55 C +ATOM 30 CD PRO A 5 0.778 0.665 -6.060 1.00 91.90 C +HETATM 31 N HYP A 6 1.030 3.341 -2.313 1.00 93.88 N +HETATM 32 CA HYP A 6 0.572 3.324 -0.946 1.00 94.25 C +HETATM 33 C HYP A 6 -0.854 2.866 -0.823 1.00 95.08 C +HETATM 34 O HYP A 6 -1.683 3.142 -1.716 1.00 93.99 O +HETATM 35 CB HYP A 6 0.742 4.800 -0.523 1.00 92.56 C +HETATM 36 CG HYP A 6 1.849 5.302 -1.416 1.00 91.37 C +HETATM 37 CD HYP A 6 1.537 4.631 -2.731 1.00 92.87 C +HETATM 38 OD1 HYP A 6 3.089 4.837 -0.936 1.00 88.93 O +ATOM 39 N GLY A 7 -1.133 2.131 0.217 1.00 93.31 N +ATOM 40 CA GLY A 7 -2.476 1.696 0.469 1.00 92.46 C +ATOM 41 C GLY A 7 -3.397 2.860 0.769 1.00 93.33 C +ATOM 42 O GLY A 7 -2.965 4.003 0.906 1.00 93.37 O +ATOM 43 N PRO A 8 -4.681 2.570 0.866 1.00 93.61 N +ATOM 44 CA PRO A 8 -5.637 3.625 1.162 1.00 93.25 C +ATOM 45 C PRO A 8 -5.519 4.095 2.600 1.00 93.51 C +ATOM 46 O PRO A 8 -4.975 3.405 3.458 1.00 92.34 O +ATOM 47 CB PRO A 8 -6.986 2.960 0.903 1.00 91.25 C +ATOM 48 CG PRO A 8 -6.733 1.523 1.168 1.00 89.13 C +ATOM 49 CD PRO A 8 -5.318 1.271 0.730 1.00 91.09 C +HETATM 50 N HYP A 9 -6.042 5.279 2.869 1.00 93.05 N +HETATM 51 CA HYP A 9 -6.069 5.798 4.195 1.00 93.97 C +HETATM 52 C HYP A 9 -6.915 4.953 5.099 1.00 94.37 C +HETATM 53 O HYP A 9 -7.885 4.323 4.654 1.00 93.04 O +HETATM 54 CB HYP A 9 -6.659 7.200 4.030 1.00 91.50 C +HETATM 55 CG HYP A 9 -6.367 7.571 2.623 1.00 90.34 C +HETATM 56 CD HYP A 9 -6.487 6.276 1.886 1.00 92.85 C +HETATM 57 OD1 HYP A 9 -5.041 8.022 2.519 1.00 88.27 O +ATOM 58 N GLY A 10 -6.583 4.871 6.339 1.00 92.61 N +ATOM 59 CA GLY A 10 -7.462 4.278 7.320 1.00 90.47 C +ATOM 60 C GLY A 10 -8.712 5.121 7.473 1.00 90.97 C +ATOM 61 O GLY A 10 -8.996 6.003 6.664 1.00 89.80 O +ATOM 62 N ARG A 11 -9.468 4.848 8.522 1.00 91.55 N +ATOM 63 CA ARG A 11 -10.696 5.617 8.727 1.00 92.29 C +ATOM 64 C ARG A 11 -10.420 7.116 8.640 1.00 91.43 C +ATOM 65 O ARG A 11 -11.082 7.824 7.889 1.00 88.95 O +ATOM 66 CB ARG A 11 -11.319 5.256 10.073 1.00 88.93 C +ATOM 67 CG ARG A 11 -11.803 3.824 10.137 1.00 84.04 C +ATOM 68 CD ARG A 11 -12.452 3.511 11.465 1.00 79.75 C +ATOM 69 NE ARG A 11 -12.767 2.102 11.592 1.00 74.84 N +ATOM 70 CZ ARG A 11 -11.913 1.174 12.018 1.00 71.38 C +ATOM 71 NH1 ARG A 11 -10.698 1.516 12.387 1.00 69.68 N +ATOM 72 NH2 ARG A 11 -12.288 -0.089 12.084 1.00 66.85 N +ATOM 73 N ASP A 12 -9.449 7.581 9.389 1.00 93.56 N +ATOM 74 CA ASP A 12 -8.929 8.943 9.286 1.00 94.09 C +ATOM 75 C ASP A 12 -7.425 8.916 9.529 1.00 94.54 C +ATOM 76 O ASP A 12 -6.893 9.721 10.284 1.00 90.72 O +ATOM 77 CB ASP A 12 -9.617 9.877 10.290 1.00 91.60 C +ATOM 78 CG ASP A 12 -10.953 10.411 9.811 1.00 85.53 C +ATOM 79 OD1 ASP A 12 -11.297 10.215 8.636 1.00 84.52 O +ATOM 80 OD2 ASP A 12 -11.647 11.055 10.620 1.00 81.43 O +ATOM 81 N GLY A 13 -6.748 7.984 8.908 1.00 94.88 N +ATOM 82 CA GLY A 13 -5.362 7.731 9.220 1.00 94.12 C +ATOM 83 C GLY A 13 -4.451 7.796 8.019 1.00 94.63 C +ATOM 84 O GLY A 13 -4.874 8.146 6.915 1.00 94.08 O +ATOM 85 N PRO A 14 -3.190 7.472 8.230 1.00 94.74 N +ATOM 86 CA PRO A 14 -2.217 7.538 7.154 1.00 94.38 C +ATOM 87 C PRO A 14 -2.463 6.463 6.107 1.00 94.50 C +ATOM 88 O PRO A 14 -3.156 5.482 6.348 1.00 93.52 O +ATOM 89 CB PRO A 14 -0.879 7.316 7.863 1.00 92.46 C +ATOM 90 CG PRO A 14 -1.232 6.512 9.057 1.00 90.60 C +ATOM 91 CD PRO A 14 -2.589 6.985 9.480 1.00 92.56 C +HETATM 92 N HYP A 15 -1.873 6.698 4.969 1.00 93.68 N +HETATM 93 CA HYP A 15 -1.902 5.697 3.919 1.00 93.57 C +HETATM 94 C HYP A 15 -1.268 4.409 4.355 1.00 94.88 C +HETATM 95 O HYP A 15 -0.363 4.434 5.213 1.00 93.99 O +HETATM 96 CB HYP A 15 -1.141 6.394 2.785 1.00 91.24 C +HETATM 97 CG HYP A 15 -1.345 7.865 3.049 1.00 89.58 C +HETATM 98 CD HYP A 15 -1.282 7.936 4.555 1.00 92.45 C +HETATM 99 OD1 HYP A 15 -2.598 8.265 2.594 1.00 90.23 O +ATOM 100 N GLY A 16 -1.735 3.333 3.814 1.00 94.21 N +ATOM 101 CA GLY A 16 -1.122 2.057 4.074 1.00 94.07 C +ATOM 102 C GLY A 16 0.268 1.981 3.482 1.00 94.70 C +ATOM 103 O GLY A 16 0.713 2.878 2.767 1.00 94.45 O +ATOM 104 N PRO A 17 0.970 0.891 3.785 1.00 93.01 N +ATOM 105 CA PRO A 17 2.316 0.731 3.269 1.00 92.58 C +ATOM 106 C PRO A 17 2.316 0.474 1.775 1.00 92.91 C +ATOM 107 O PRO A 17 1.308 0.075 1.195 1.00 92.32 O +ATOM 108 CB PRO A 17 2.852 -0.468 4.046 1.00 91.03 C +ATOM 109 CG PRO A 17 1.641 -1.240 4.397 1.00 89.28 C +ATOM 110 CD PRO A 17 0.555 -0.239 4.611 1.00 91.36 C +HETATM 111 N HYP A 18 3.464 0.709 1.133 1.00 92.27 N +HETATM 112 CA HYP A 18 3.616 0.391 -0.252 1.00 92.05 C +HETATM 113 C HYP A 18 3.396 -1.068 -0.534 1.00 94.28 C +HETATM 114 O HYP A 18 3.673 -1.920 0.327 1.00 93.36 O +HETATM 115 CB HYP A 18 5.071 0.815 -0.541 1.00 90.97 C +HETATM 116 CG HYP A 18 5.338 1.895 0.458 1.00 90.32 C +HETATM 117 CD HYP A 18 4.614 1.385 1.677 1.00 92.31 C +HETATM 118 OD1 HYP A 18 4.757 3.117 0.036 1.00 90.13 O +ATOM 119 N GLY A 19 2.871 -1.351 -1.676 1.00 90.72 N +ATOM 120 CA GLY A 19 2.707 -2.712 -2.100 1.00 90.45 C +ATOM 121 C GLY A 19 4.042 -3.389 -2.317 1.00 91.22 C +ATOM 122 O GLY A 19 5.091 -2.753 -2.328 1.00 91.58 O +ATOM 123 N PRO A 20 4.008 -4.702 -2.494 1.00 89.90 N +ATOM 124 CA PRO A 20 5.236 -5.435 -2.721 1.00 89.59 C +ATOM 125 C PRO A 20 5.814 -5.130 -4.093 1.00 89.92 C +ATOM 126 O PRO A 20 5.135 -4.608 -4.971 1.00 90.06 O +ATOM 127 CB PRO A 20 4.800 -6.894 -2.607 1.00 87.21 C +ATOM 128 CG PRO A 20 3.370 -6.874 -2.974 1.00 84.49 C +ATOM 129 CD PRO A 20 2.831 -5.557 -2.498 1.00 86.27 C +HETATM 130 N HYP A 21 7.090 -5.451 -4.260 1.00 93.35 N +HETATM 131 CA HYP A 21 7.722 -5.291 -5.530 1.00 91.28 C +HETATM 132 C HYP A 21 7.016 -6.027 -6.650 1.00 93.89 C +HETATM 133 O HYP A 21 6.475 -7.112 -6.416 1.00 93.65 O +HETATM 134 CB HYP A 21 9.129 -5.836 -5.319 1.00 90.51 C +HETATM 135 CG HYP A 21 9.376 -5.640 -3.846 1.00 87.45 C +HETATM 136 CD HYP A 21 8.037 -5.914 -3.228 1.00 92.12 C +HETATM 137 OD1 HYP A 21 9.703 -4.274 -3.578 1.00 88.51 O +ATOM 138 N GLY A 22 6.918 -5.417 -7.798 1.00 91.62 N +ATOM 139 CA GLY A 22 6.338 -6.054 -8.940 1.00 90.15 C +ATOM 140 C GLY A 22 7.201 -7.198 -9.439 1.00 90.60 C +ATOM 141 O GLY A 22 8.272 -7.466 -8.900 1.00 90.25 O +ATOM 142 N PRO A 23 6.752 -7.879 -10.486 1.00 91.34 N +ATOM 143 CA PRO A 23 7.517 -8.998 -11.014 1.00 90.75 C +ATOM 144 C PRO A 23 8.827 -8.529 -11.616 1.00 89.94 C +ATOM 145 O PRO A 23 8.977 -7.376 -12.003 1.00 86.34 O +ATOM 146 CB PRO A 23 6.597 -9.602 -12.065 1.00 86.81 C +ATOM 147 CG PRO A 23 5.720 -8.481 -12.471 1.00 84.35 C +ATOM 148 CD PRO A 23 5.540 -7.636 -11.246 1.00 87.79 C +HETATM 149 N HYP A 24 9.755 -9.361 -11.738 1.00 93.05 N +HETATM 150 CA HYP A 24 11.046 -8.957 -12.302 1.00 85.94 C +HETATM 151 C HYP A 24 10.984 -8.040 -13.452 1.00 90.18 C +HETATM 152 O HYP A 24 11.769 -8.093 -14.384 1.00 83.57 O +HETATM 153 CB HYP A 24 11.744 -10.292 -12.554 1.00 87.23 C +HETATM 154 CG HYP A 24 11.085 -11.307 -11.664 1.00 87.45 C +HETATM 155 CD HYP A 24 9.662 -10.809 -11.524 1.00 90.36 C +HETATM 156 OD1 HYP A 24 11.665 -11.276 -10.361 1.00 85.41 O +HETATM 157 OXT HYP A 24 10.112 -7.177 -13.407 1.00 83.25 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_158.txt b/protein_pdb_158.txt new file mode 100644 index 0000000000000000000000000000000000000000..1694435ed4f747e8a159ec9151b51cd4afdf840f --- /dev/null +++ b/protein_pdb_158.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -16.646 -17.026 28.116 1.00 90.94 N +ATOM 2 CA GLY A 1 -16.497 -17.612 26.787 1.00 93.14 C +ATOM 3 C GLY A 1 -15.246 -17.102 26.110 1.00 93.12 C +ATOM 4 O GLY A 1 -14.640 -16.132 26.574 1.00 90.90 O +ATOM 5 N PRO A 2 -14.826 -17.715 25.015 1.00 94.53 N +ATOM 6 CA PRO A 2 -13.620 -17.277 24.312 1.00 95.49 C +ATOM 7 C PRO A 2 -13.830 -15.935 23.626 1.00 95.51 C +ATOM 8 O PRO A 2 -14.948 -15.558 23.313 1.00 94.26 O +ATOM 9 CB PRO A 2 -13.378 -18.395 23.287 1.00 93.92 C +ATOM 10 CG PRO A 2 -14.750 -18.900 23.014 1.00 90.88 C +ATOM 11 CD PRO A 2 -15.445 -18.852 24.358 1.00 93.11 C +HETATM 12 N HYP A 3 -12.830 -15.253 23.461 1.00 93.05 N +HETATM 13 CA HYP A 3 -12.828 -13.956 22.696 1.00 92.35 C +HETATM 14 C HYP A 3 -13.369 -14.149 21.299 1.00 89.29 C +HETATM 15 O HYP A 3 -13.187 -15.221 20.694 1.00 93.14 O +HETATM 16 CB HYP A 3 -11.375 -13.549 22.711 1.00 90.55 C +HETATM 17 CG HYP A 3 -10.712 -14.326 23.845 1.00 87.47 C +HETATM 18 CD HYP A 3 -11.497 -15.640 23.866 1.00 92.46 C +HETATM 19 OD1 HYP A 3 -10.878 -13.668 25.068 1.00 92.42 O +ATOM 20 N GLY A 4 -14.002 -13.117 20.759 1.00 94.70 N +ATOM 21 CA GLY A 4 -14.501 -13.169 19.407 1.00 93.78 C +ATOM 22 C GLY A 4 -13.352 -13.137 18.411 1.00 93.81 C +ATOM 23 O GLY A 4 -12.207 -12.877 18.776 1.00 93.54 O +ATOM 24 N PRO A 5 -13.646 -13.388 17.136 1.00 94.80 N +ATOM 25 CA PRO A 5 -12.599 -13.393 16.119 1.00 94.86 C +ATOM 26 C PRO A 5 -12.094 -11.980 15.837 1.00 94.94 C +ATOM 27 O PRO A 5 -12.779 -11.001 16.098 1.00 93.94 O +ATOM 28 CB PRO A 5 -13.287 -13.996 14.899 1.00 93.27 C +ATOM 29 CG PRO A 5 -14.710 -13.598 15.083 1.00 91.17 C +ATOM 30 CD PRO A 5 -14.942 -13.716 16.576 1.00 93.65 C +HETATM 31 N HYP A 6 -10.924 -11.894 15.325 1.00 90.36 N +HETATM 32 CA HYP A 6 -10.363 -10.579 14.895 1.00 93.96 C +HETATM 33 C HYP A 6 -11.210 -9.928 13.844 1.00 87.19 C +HETATM 34 O HYP A 6 -11.847 -10.626 13.030 1.00 90.97 O +HETATM 35 CB HYP A 6 -8.974 -10.984 14.345 1.00 84.92 C +HETATM 36 CG HYP A 6 -8.631 -12.321 14.980 1.00 86.11 C +HETATM 37 CD HYP A 6 -9.997 -12.975 15.119 1.00 88.80 C +HETATM 38 OD1 HYP A 6 -8.056 -12.161 16.250 1.00 90.53 O +ATOM 39 N GLY A 7 -11.248 -8.593 13.826 1.00 94.60 N +ATOM 40 CA GLY A 7 -12.003 -7.861 12.842 1.00 93.46 C +ATOM 41 C GLY A 7 -11.372 -7.994 11.466 1.00 93.22 C +ATOM 42 O GLY A 7 -10.268 -8.528 11.326 1.00 92.90 O +ATOM 43 N PRO A 8 -12.062 -7.497 10.439 1.00 92.20 N +ATOM 44 CA PRO A 8 -11.536 -7.587 9.076 1.00 92.16 C +ATOM 45 C PRO A 8 -10.354 -6.651 8.859 1.00 91.33 C +ATOM 46 O PRO A 8 -10.175 -5.682 9.590 1.00 89.97 O +ATOM 47 CB PRO A 8 -12.728 -7.196 8.213 1.00 90.67 C +ATOM 48 CG PRO A 8 -13.482 -6.247 9.087 1.00 89.64 C +ATOM 49 CD PRO A 8 -13.358 -6.846 10.474 1.00 91.85 C +HETATM 50 N HYP A 9 -9.563 -6.898 7.856 1.00 85.55 N +HETATM 51 CA HYP A 9 -8.449 -6.051 7.481 1.00 89.09 C +HETATM 52 C HYP A 9 -8.915 -4.695 7.083 1.00 84.65 C +HETATM 53 O HYP A 9 -9.988 -4.546 6.461 1.00 86.22 O +HETATM 54 CB HYP A 9 -7.839 -6.792 6.243 1.00 86.31 C +HETATM 55 CG HYP A 9 -8.254 -8.211 6.403 1.00 84.22 C +HETATM 56 CD HYP A 9 -9.604 -8.094 7.052 1.00 87.95 C +HETATM 57 OD1 HYP A 9 -7.380 -8.912 7.255 1.00 82.76 O +ATOM 58 N GLY A 10 -8.137 -3.647 7.414 1.00 91.66 N +ATOM 59 CA GLY A 10 -8.473 -2.293 7.045 1.00 89.19 C +ATOM 60 C GLY A 10 -8.335 -2.094 5.542 1.00 88.31 C +ATOM 61 O GLY A 10 -7.755 -2.920 4.831 1.00 87.10 O +ATOM 62 N GLU A 11 -8.864 -0.969 5.056 1.00 91.71 N +ATOM 63 CA GLU A 11 -8.772 -0.650 3.634 1.00 91.80 C +ATOM 64 C GLU A 11 -7.331 -0.352 3.238 1.00 91.16 C +ATOM 65 O GLU A 11 -6.551 0.188 4.017 1.00 87.23 O +ATOM 66 CB GLU A 11 -9.623 0.575 3.292 1.00 88.60 C +ATOM 67 CG GLU A 11 -11.110 0.335 3.318 1.00 80.51 C +ATOM 68 CD GLU A 11 -11.851 1.569 2.827 1.00 76.74 C +ATOM 69 OE1 GLU A 11 -11.950 2.535 3.607 1.00 72.10 O +ATOM 70 OE2 GLU A 11 -12.292 1.578 1.671 1.00 72.62 O +ATOM 71 N LYS A 12 -6.984 -0.706 1.992 1.00 89.90 N +ATOM 72 CA LYS A 12 -5.657 -0.392 1.481 1.00 89.99 C +ATOM 73 C LYS A 12 -5.595 1.115 1.263 1.00 90.27 C +ATOM 74 O LYS A 12 -6.556 1.725 0.818 1.00 87.06 O +ATOM 75 CB LYS A 12 -5.407 -1.140 0.157 1.00 84.95 C +ATOM 76 CG LYS A 12 -4.014 -0.904 -0.418 1.00 80.76 C +ATOM 77 CD LYS A 12 -3.781 -1.695 -1.687 1.00 77.57 C +ATOM 78 CE LYS A 12 -2.380 -1.461 -2.245 1.00 72.27 C +ATOM 79 NZ LYS A 12 -2.149 -2.231 -3.484 1.00 68.20 N +ATOM 80 N GLY A 13 -4.446 1.693 1.612 1.00 88.99 N +ATOM 81 CA GLY A 13 -4.272 3.128 1.458 1.00 87.74 C +ATOM 82 C GLY A 13 -4.294 3.576 0.007 1.00 88.54 C +ATOM 83 O GLY A 13 -4.221 2.751 -0.908 1.00 88.19 O +ATOM 84 N PRO A 14 -4.391 4.894 -0.234 1.00 89.72 N +ATOM 85 CA PRO A 14 -4.426 5.419 -1.594 1.00 90.25 C +ATOM 86 C PRO A 14 -3.072 5.288 -2.281 1.00 90.22 C +ATOM 87 O PRO A 14 -2.051 5.102 -1.625 1.00 88.44 O +ATOM 88 CB PRO A 14 -4.809 6.884 -1.392 1.00 88.19 C +ATOM 89 CG PRO A 14 -4.243 7.210 -0.056 1.00 86.25 C +ATOM 90 CD PRO A 14 -4.487 5.964 0.763 1.00 87.88 C +HETATM 91 N HYP A 15 -3.058 5.409 -3.635 1.00 78.75 N +HETATM 92 CA HYP A 15 -1.830 5.380 -4.382 1.00 80.35 C +HETATM 93 C HYP A 15 -0.877 6.470 -3.940 1.00 79.27 C +HETATM 94 O HYP A 15 -1.354 7.540 -3.497 1.00 79.30 O +HETATM 95 CB HYP A 15 -2.314 5.617 -5.821 1.00 79.64 C +HETATM 96 CG HYP A 15 -3.747 5.153 -5.814 1.00 80.42 C +HETATM 97 CD HYP A 15 -4.213 5.509 -4.446 1.00 82.84 C +HETATM 98 OD1 HYP A 15 -3.842 3.777 -6.004 1.00 80.95 O +ATOM 99 N GLY A 16 0.394 6.226 -3.989 1.00 92.42 N +ATOM 100 CA GLY A 16 1.365 7.219 -3.618 1.00 90.35 C +ATOM 101 C GLY A 16 1.386 8.356 -4.625 1.00 90.74 C +ATOM 102 O GLY A 16 0.777 8.261 -5.696 1.00 91.05 O +ATOM 103 N PRO A 17 2.103 9.451 -4.304 1.00 87.93 N +ATOM 104 CA PRO A 17 2.181 10.590 -5.218 1.00 89.18 C +ATOM 105 C PRO A 17 3.007 10.264 -6.450 1.00 89.33 C +ATOM 106 O PRO A 17 3.825 9.349 -6.438 1.00 88.78 O +ATOM 107 CB PRO A 17 2.829 11.677 -4.370 1.00 87.24 C +ATOM 108 CG PRO A 17 3.682 10.906 -3.418 1.00 84.24 C +ATOM 109 CD PRO A 17 2.857 9.685 -3.085 1.00 86.00 C +HETATM 110 N HYP A 18 2.827 11.009 -7.530 1.00 84.78 N +HETATM 111 CA HYP A 18 3.630 10.873 -8.719 1.00 89.29 C +HETATM 112 C HYP A 18 5.107 11.085 -8.477 1.00 84.39 C +HETATM 113 O HYP A 18 5.473 11.885 -7.587 1.00 88.94 O +HETATM 114 CB HYP A 18 3.061 11.918 -9.649 1.00 84.65 C +HETATM 115 CG HYP A 18 1.648 12.143 -9.192 1.00 83.95 C +HETATM 116 CD HYP A 18 1.759 11.936 -7.714 1.00 89.75 C +HETATM 117 OD1 HYP A 18 0.760 11.213 -9.741 1.00 88.69 O +ATOM 118 N GLY A 19 5.946 10.385 -9.172 1.00 91.53 N +ATOM 119 CA GLY A 19 7.374 10.522 -9.018 1.00 90.29 C +ATOM 120 C GLY A 19 7.841 11.875 -9.521 1.00 90.70 C +ATOM 121 O GLY A 19 7.080 12.621 -10.144 1.00 90.29 O +ATOM 122 N PRO A 20 9.103 12.217 -9.271 1.00 91.32 N +ATOM 123 CA PRO A 20 9.648 13.499 -9.706 1.00 91.49 C +ATOM 124 C PRO A 20 9.864 13.528 -11.216 1.00 91.10 C +ATOM 125 O PRO A 20 9.922 12.489 -11.863 1.00 90.17 O +ATOM 126 CB PRO A 20 10.965 13.594 -8.943 1.00 88.97 C +ATOM 127 CG PRO A 20 11.377 12.169 -8.814 1.00 85.99 C +ATOM 128 CD PRO A 20 10.086 11.429 -8.545 1.00 88.85 C +HETATM 129 N HYP A 21 10.001 14.720 -11.803 1.00 92.65 N +HETATM 130 CA HYP A 21 10.295 14.878 -13.204 1.00 90.59 C +HETATM 131 C HYP A 21 11.622 14.255 -13.631 1.00 88.38 C +HETATM 132 O HYP A 21 12.557 14.232 -12.828 1.00 93.43 O +HETATM 133 CB HYP A 21 10.410 16.425 -13.362 1.00 88.78 C +HETATM 134 CG HYP A 21 9.593 17.008 -12.225 1.00 85.65 C +HETATM 135 CD HYP A 21 9.802 16.002 -11.134 1.00 90.41 C +HETATM 136 OD1 HYP A 21 8.208 17.050 -12.545 1.00 90.41 O +ATOM 137 N GLY A 22 11.712 13.682 -14.805 1.00 92.14 N +ATOM 138 CA GLY A 22 12.922 13.087 -15.293 1.00 91.36 C +ATOM 139 C GLY A 22 13.983 14.158 -15.507 1.00 91.70 C +ATOM 140 O GLY A 22 13.700 15.351 -15.409 1.00 90.12 O +ATOM 141 N PRO A 23 15.209 13.765 -15.848 1.00 93.24 N +ATOM 142 CA PRO A 23 16.277 14.732 -16.060 1.00 93.37 C +ATOM 143 C PRO A 23 16.020 15.550 -17.314 1.00 92.70 C +ATOM 144 O PRO A 23 15.344 15.102 -18.236 1.00 89.56 O +ATOM 145 CB PRO A 23 17.530 13.875 -16.184 1.00 90.56 C +ATOM 146 CG PRO A 23 17.008 12.574 -16.696 1.00 87.85 C +ATOM 147 CD PRO A 23 15.680 12.398 -16.013 1.00 90.86 C +HETATM 148 N HYP A 24 16.600 16.736 -17.441 1.00 93.25 N +HETATM 149 CA HYP A 24 16.323 17.558 -18.627 1.00 87.74 C +HETATM 150 C HYP A 24 16.949 16.889 -19.870 1.00 90.67 C +HETATM 151 O HYP A 24 16.363 17.009 -20.894 1.00 89.51 O +HETATM 152 CB HYP A 24 17.136 18.878 -18.334 1.00 91.15 C +HETATM 153 CG HYP A 24 17.419 18.914 -16.870 1.00 89.20 C +HETATM 154 CD HYP A 24 17.446 17.431 -16.467 1.00 91.42 C +HETATM 155 OD1 HYP A 24 16.347 19.541 -16.202 1.00 86.28 O +HETATM 156 OXT HYP A 24 18.042 16.300 -19.734 1.00 85.07 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_159.txt b/protein_pdb_159.txt new file mode 100644 index 0000000000000000000000000000000000000000..55505d80729e3faa7966410d2234a4e02a7af329 --- /dev/null +++ b/protein_pdb_159.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 13.623 -3.805 2.371 1.00 86.50 N +ATOM 2 CA GLY A 1 13.190 -3.234 1.120 1.00 87.92 C +ATOM 3 C GLY A 1 12.283 -2.046 1.337 1.00 89.04 C +ATOM 4 O GLY A 1 11.952 -1.699 2.470 1.00 87.17 O +ATOM 5 N PRO A 2 11.758 -1.363 0.237 1.00 87.82 N +ATOM 6 CA PRO A 2 10.892 -0.202 0.346 1.00 89.18 C +ATOM 7 C PRO A 2 9.480 -0.589 0.754 1.00 89.50 C +ATOM 8 O PRO A 2 9.093 -1.745 0.679 1.00 86.92 O +ATOM 9 CB PRO A 2 10.916 0.379 -1.070 1.00 86.37 C +ATOM 10 CG PRO A 2 11.148 -0.802 -1.934 1.00 83.36 C +ATOM 11 CD PRO A 2 12.056 -1.712 -1.155 1.00 84.72 C +HETATM 12 N HYP A 3 8.735 0.437 1.188 1.00 87.57 N +HETATM 13 CA HYP A 3 7.327 0.190 1.485 1.00 89.16 C +HETATM 14 C HYP A 3 6.600 -0.298 0.263 1.00 90.58 C +HETATM 15 O HYP A 3 6.933 0.092 -0.877 1.00 90.51 O +HETATM 16 CB HYP A 3 6.817 1.626 1.872 1.00 88.12 C +HETATM 17 CG HYP A 3 8.046 2.341 2.400 1.00 84.74 C +HETATM 18 CD HYP A 3 9.163 1.805 1.467 1.00 88.09 C +HETATM 19 OD1 HYP A 3 8.286 1.903 3.708 1.00 85.70 O +ATOM 20 N GLY A 4 5.685 -1.216 0.494 1.00 92.52 N +ATOM 21 CA GLY A 4 4.865 -1.692 -0.586 1.00 92.17 C +ATOM 22 C GLY A 4 3.955 -0.605 -1.111 1.00 92.64 C +ATOM 23 O GLY A 4 3.774 0.444 -0.489 1.00 92.29 O +ATOM 24 N PRO A 5 3.375 -0.842 -2.275 1.00 90.84 N +ATOM 25 CA PRO A 5 2.475 0.144 -2.852 1.00 90.59 C +ATOM 26 C PRO A 5 1.171 0.218 -2.081 1.00 90.20 C +ATOM 27 O PRO A 5 0.822 -0.683 -1.327 1.00 88.95 O +ATOM 28 CB PRO A 5 2.254 -0.380 -4.271 1.00 89.39 C +ATOM 29 CG PRO A 5 2.423 -1.849 -4.133 1.00 87.69 C +ATOM 30 CD PRO A 5 3.489 -2.043 -3.096 1.00 89.21 C +HETATM 31 N HYP A 6 0.456 1.341 -2.290 1.00 88.78 N +HETATM 32 CA HYP A 6 -0.842 1.438 -1.700 1.00 89.96 C +HETATM 33 C HYP A 6 -1.749 0.339 -2.177 1.00 92.05 C +HETATM 34 O HYP A 6 -1.633 -0.130 -3.326 1.00 91.00 O +HETATM 35 CB HYP A 6 -1.343 2.822 -2.215 1.00 86.23 C +HETATM 36 CG HYP A 6 -0.091 3.612 -2.440 1.00 85.39 C +HETATM 37 CD HYP A 6 0.867 2.548 -2.995 1.00 88.54 C +HETATM 38 OD1 HYP A 6 0.395 4.062 -1.196 1.00 85.44 O +ATOM 39 N GLY A 7 -2.581 -0.123 -1.297 1.00 92.12 N +ATOM 40 CA GLY A 7 -3.556 -1.112 -1.665 1.00 91.66 C +ATOM 41 C GLY A 7 -4.532 -0.576 -2.685 1.00 91.93 C +ATOM 42 O GLY A 7 -4.617 0.631 -2.922 1.00 91.54 O +ATOM 43 N PRO A 8 -5.261 -1.468 -3.299 1.00 90.94 N +ATOM 44 CA PRO A 8 -6.221 -1.038 -4.299 1.00 90.67 C +ATOM 45 C PRO A 8 -7.409 -0.338 -3.662 1.00 90.83 C +ATOM 46 O PRO A 8 -7.675 -0.483 -2.477 1.00 89.09 O +ATOM 47 CB PRO A 8 -6.643 -2.346 -4.965 1.00 88.96 C +ATOM 48 CG PRO A 8 -6.471 -3.360 -3.891 1.00 87.61 C +ATOM 49 CD PRO A 8 -5.271 -2.909 -3.101 1.00 89.23 C +HETATM 50 N HYP A 9 -8.134 0.436 -4.494 1.00 87.07 N +HETATM 51 CA HYP A 9 -9.307 1.048 -4.019 1.00 90.29 C +HETATM 52 C HYP A 9 -10.335 0.034 -3.626 1.00 90.55 C +HETATM 53 O HYP A 9 -10.483 -0.994 -4.283 1.00 90.62 O +HETATM 54 CB HYP A 9 -9.813 1.831 -5.260 1.00 85.95 C +HETATM 55 CG HYP A 9 -8.624 2.056 -6.103 1.00 82.08 C +HETATM 56 CD HYP A 9 -7.781 0.831 -5.877 1.00 87.16 C +HETATM 57 OD1 HYP A 9 -7.915 3.169 -5.600 1.00 83.61 O +ATOM 58 N GLY A 10 -10.992 0.217 -2.524 1.00 90.94 N +ATOM 59 CA GLY A 10 -12.104 -0.614 -2.135 1.00 89.08 C +ATOM 60 C GLY A 10 -13.301 -0.333 -3.016 1.00 89.40 C +ATOM 61 O GLY A 10 -13.256 0.511 -3.908 1.00 88.44 O +ATOM 62 N PRO A 11 -14.405 -1.022 -2.746 1.00 87.49 N +ATOM 63 CA PRO A 11 -15.596 -0.796 -3.566 1.00 88.64 C +ATOM 64 C PRO A 11 -16.014 0.666 -3.646 1.00 89.29 C +ATOM 65 O PRO A 11 -16.540 1.102 -4.672 1.00 87.04 O +ATOM 66 CB PRO A 11 -16.660 -1.644 -2.874 1.00 87.14 C +ATOM 67 CG PRO A 11 -15.874 -2.727 -2.223 1.00 85.94 C +ATOM 68 CD PRO A 11 -14.595 -2.080 -1.769 1.00 85.29 C +ATOM 69 N SER A 12 -15.775 1.405 -2.590 1.00 90.94 N +ATOM 70 CA SER A 12 -16.018 2.844 -2.582 1.00 91.45 C +ATOM 71 C SER A 12 -15.006 3.569 -1.717 1.00 91.45 C +ATOM 72 O SER A 12 -15.151 4.764 -1.469 1.00 86.80 O +ATOM 73 CB SER A 12 -17.434 3.135 -2.084 1.00 87.92 C +ATOM 74 OG SER A 12 -17.601 2.657 -0.776 1.00 79.67 O +ATOM 75 N GLY A 13 -14.010 2.861 -1.257 1.00 92.23 N +ATOM 76 CA GLY A 13 -13.089 3.391 -0.287 1.00 90.71 C +ATOM 77 C GLY A 13 -11.766 3.809 -0.876 1.00 91.95 C +ATOM 78 O GLY A 13 -11.479 3.563 -2.051 1.00 91.94 O +ATOM 79 N PRO A 14 -10.949 4.453 -0.067 1.00 91.42 N +ATOM 80 CA PRO A 14 -9.648 4.912 -0.516 1.00 91.15 C +ATOM 81 C PRO A 14 -8.672 3.757 -0.671 1.00 91.34 C +ATOM 82 O PRO A 14 -8.916 2.648 -0.204 1.00 89.75 O +ATOM 83 CB PRO A 14 -9.210 5.854 0.605 1.00 90.00 C +ATOM 84 CG PRO A 14 -9.852 5.282 1.822 1.00 88.38 C +ATOM 85 CD PRO A 14 -11.178 4.746 1.357 1.00 89.09 C +HETATM 86 N HYP A 15 -7.557 4.101 -1.312 1.00 91.37 N +HETATM 87 CA HYP A 15 -6.514 3.115 -1.401 1.00 91.28 C +HETATM 88 C HYP A 15 -6.058 2.699 -0.031 1.00 93.17 C +HETATM 89 O HYP A 15 -6.119 3.509 0.921 1.00 91.13 O +HETATM 90 CB HYP A 15 -5.405 3.915 -2.112 1.00 88.62 C +HETATM 91 CG HYP A 15 -6.140 4.947 -2.947 1.00 86.40 C +HETATM 92 CD HYP A 15 -7.282 5.349 -2.023 1.00 89.79 C +HETATM 93 OD1 HYP A 15 -6.646 4.348 -4.102 1.00 87.23 O +ATOM 94 N GLY A 16 -5.653 1.465 0.075 1.00 92.91 N +ATOM 95 CA GLY A 16 -5.081 0.995 1.311 1.00 92.86 C +ATOM 96 C GLY A 16 -3.751 1.658 1.590 1.00 93.32 C +ATOM 97 O GLY A 16 -3.162 2.308 0.719 1.00 92.78 O +ATOM 98 N PRO A 17 -3.273 1.501 2.802 1.00 90.90 N +ATOM 99 CA PRO A 17 -1.994 2.081 3.160 1.00 90.58 C +ATOM 100 C PRO A 17 -0.846 1.366 2.466 1.00 90.83 C +ATOM 101 O PRO A 17 -0.998 0.249 1.980 1.00 89.12 O +ATOM 102 CB PRO A 17 -1.933 1.895 4.673 1.00 89.36 C +ATOM 103 CG PRO A 17 -2.768 0.683 4.910 1.00 87.38 C +ATOM 104 CD PRO A 17 -3.869 0.747 3.900 1.00 88.42 C +HETATM 105 N HYP A 18 0.317 2.047 2.435 1.00 88.46 N +HETATM 106 CA HYP A 18 1.463 1.382 1.935 1.00 88.59 C +HETATM 107 C HYP A 18 1.759 0.133 2.692 1.00 91.16 C +HETATM 108 O HYP A 18 1.497 0.056 3.899 1.00 89.54 O +HETATM 109 CB HYP A 18 2.577 2.436 2.161 1.00 86.86 C +HETATM 110 CG HYP A 18 1.862 3.755 2.116 1.00 85.58 C +HETATM 111 CD HYP A 18 0.548 3.424 2.809 1.00 88.91 C +HETATM 112 OD1 HYP A 18 1.604 4.099 0.761 1.00 85.91 O +ATOM 113 N GLY A 19 2.224 -0.864 1.976 1.00 87.61 N +ATOM 114 CA GLY A 19 2.645 -2.078 2.607 1.00 87.27 C +ATOM 115 C GLY A 19 3.850 -1.850 3.496 1.00 87.63 C +ATOM 116 O GLY A 19 4.498 -0.804 3.444 1.00 88.07 O +ATOM 117 N PRO A 20 4.156 -2.828 4.315 1.00 83.91 N +ATOM 118 CA PRO A 20 5.304 -2.694 5.192 1.00 84.08 C +ATOM 119 C PRO A 20 6.605 -2.774 4.414 1.00 83.53 C +ATOM 120 O PRO A 20 6.637 -3.226 3.271 1.00 83.93 O +ATOM 121 CB PRO A 20 5.150 -3.884 6.140 1.00 82.36 C +ATOM 122 CG PRO A 20 4.418 -4.890 5.329 1.00 79.42 C +ATOM 123 CD PRO A 20 3.477 -4.111 4.455 1.00 80.18 C +HETATM 124 N HYP A 21 7.665 -2.303 5.062 1.00 87.88 N +HETATM 125 CA HYP A 21 8.952 -2.466 4.454 1.00 88.75 C +HETATM 126 C HYP A 21 9.287 -3.892 4.138 1.00 89.19 C +HETATM 127 O HYP A 21 8.830 -4.775 4.844 1.00 91.25 O +HETATM 128 CB HYP A 21 9.911 -1.884 5.502 1.00 86.30 C +HETATM 129 CG HYP A 21 9.071 -0.889 6.273 1.00 82.30 C +HETATM 130 CD HYP A 21 7.721 -1.573 6.321 1.00 88.13 C +HETATM 131 OD1 HYP A 21 8.927 0.311 5.515 1.00 81.67 O +ATOM 132 N GLY A 22 9.947 -4.116 3.048 1.00 87.74 N +ATOM 133 CA GLY A 22 10.380 -5.438 2.693 1.00 85.66 C +ATOM 134 C GLY A 22 11.399 -5.970 3.688 1.00 85.44 C +ATOM 135 O GLY A 22 11.787 -5.287 4.636 1.00 84.94 O +ATOM 136 N PRO A 23 11.855 -7.193 3.474 1.00 90.34 N +ATOM 137 CA PRO A 23 12.851 -7.757 4.376 1.00 90.26 C +ATOM 138 C PRO A 23 14.141 -6.962 4.323 1.00 88.74 C +ATOM 139 O PRO A 23 14.417 -6.255 3.357 1.00 85.35 O +ATOM 140 CB PRO A 23 13.032 -9.182 3.866 1.00 87.64 C +ATOM 141 CG PRO A 23 12.529 -9.167 2.486 1.00 85.15 C +ATOM 142 CD PRO A 23 11.508 -8.084 2.390 1.00 87.04 C +HETATM 143 N HYP A 24 14.880 -6.989 5.290 1.00 89.56 N +HETATM 144 CA HYP A 24 16.116 -6.232 5.287 1.00 84.43 C +HETATM 145 C HYP A 24 16.539 -5.836 3.940 1.00 86.96 C +HETATM 146 O HYP A 24 17.629 -6.062 3.501 1.00 85.40 O +HETATM 147 CB HYP A 24 16.996 -6.916 6.195 1.00 86.55 C +HETATM 148 CG HYP A 24 16.099 -7.680 7.154 1.00 84.60 C +HETATM 149 CD HYP A 24 14.856 -7.961 6.332 1.00 88.42 C +HETATM 150 OD1 HYP A 24 15.708 -6.862 8.253 1.00 84.40 O +HETATM 151 OXT HYP A 24 15.770 -5.146 3.274 1.00 81.03 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_16.txt b/protein_pdb_16.txt new file mode 100644 index 0000000000000000000000000000000000000000..9c3c83806d8fa9d7b141e51286f8062ca30f3a6a --- /dev/null +++ b/protein_pdb_16.txt @@ -0,0 +1,136 @@ +ATOM 1 N GLY A 1 4.304 -7.135 2.454 1.00 81.53 N +ATOM 2 CA GLY A 1 4.345 -6.047 1.517 1.00 81.60 C +ATOM 3 C GLY A 1 4.062 -4.649 2.056 1.00 82.32 C +ATOM 4 O GLY A 1 3.442 -4.478 3.099 1.00 80.60 O +ATOM 5 N PRO A 2 4.529 -3.593 1.359 1.00 85.32 N +ATOM 6 CA PRO A 2 4.355 -2.203 1.735 1.00 86.37 C +ATOM 7 C PRO A 2 2.996 -1.655 1.328 1.00 86.44 C +ATOM 8 O PRO A 2 2.301 -2.232 0.508 1.00 83.73 O +ATOM 9 CB PRO A 2 5.479 -1.497 0.981 1.00 82.93 C +ATOM 10 CG PRO A 2 5.692 -2.337 -0.220 1.00 80.05 C +ATOM 11 CD PRO A 2 5.382 -3.753 0.181 1.00 82.74 C +HETATM 12 N HYP A 3 2.614 -0.405 1.895 1.00 83.97 N +HETATM 13 CA HYP A 3 1.357 0.150 1.560 1.00 89.56 C +HETATM 14 C HYP A 3 1.262 0.646 0.110 1.00 87.49 C +HETATM 15 O HYP A 3 2.264 1.019 -0.525 1.00 86.47 O +HETATM 16 CB HYP A 3 1.417 1.410 2.487 1.00 83.02 C +HETATM 17 CG HYP A 3 2.200 0.957 3.648 1.00 83.27 C +HETATM 18 CD HYP A 3 3.292 0.181 2.992 1.00 84.52 C +HETATM 19 OD1 HYP A 3 1.425 0.110 4.466 1.00 82.88 O +ATOM 20 N GLY A 4 0.079 0.555 -0.394 1.00 88.43 N +ATOM 21 CA GLY A 4 -0.154 1.067 -1.717 1.00 87.35 C +ATOM 22 C GLY A 4 -0.077 2.586 -1.737 1.00 87.03 C +ATOM 23 O GLY A 4 0.095 3.233 -0.708 1.00 85.32 O +ATOM 24 N PRO A 5 -0.189 3.153 -2.910 1.00 86.84 N +ATOM 25 CA PRO A 5 -0.153 4.606 -3.027 1.00 85.57 C +ATOM 26 C PRO A 5 -1.413 5.222 -2.439 1.00 85.23 C +ATOM 27 O PRO A 5 -2.420 4.553 -2.244 1.00 82.90 O +ATOM 28 CB PRO A 5 -0.067 4.832 -4.528 1.00 83.69 C +ATOM 29 CG PRO A 5 -0.765 3.646 -5.104 1.00 81.97 C +ATOM 30 CD PRO A 5 -0.426 2.505 -4.184 1.00 83.43 C +HETATM 31 N HYP A 6 -1.350 6.545 -2.196 1.00 83.38 N +HETATM 32 CA HYP A 6 -2.499 7.190 -1.727 1.00 87.05 C +HETATM 33 C HYP A 6 -3.736 7.090 -2.590 1.00 85.49 C +HETATM 34 O HYP A 6 -3.632 7.142 -3.833 1.00 86.12 O +HETATM 35 CB HYP A 6 -2.013 8.619 -1.581 1.00 84.47 C +HETATM 36 CG HYP A 6 -0.586 8.444 -1.218 1.00 84.19 C +HETATM 37 CD HYP A 6 -0.184 7.336 -2.118 1.00 86.24 C +HETATM 38 OD1 HYP A 6 -0.419 8.059 0.108 1.00 83.59 O +ATOM 39 N GLY A 7 -4.832 6.796 -1.937 1.00 87.32 N +ATOM 40 CA GLY A 7 -6.093 6.696 -2.621 1.00 85.27 C +ATOM 41 C GLY A 7 -6.653 8.071 -2.927 1.00 86.00 C +ATOM 42 O GLY A 7 -6.008 9.093 -2.688 1.00 84.61 O +ATOM 43 N PRO A 8 -7.868 8.110 -3.441 1.00 87.33 N +ATOM 44 CA PRO A 8 -8.501 9.391 -3.738 1.00 87.67 C +ATOM 45 C PRO A 8 -8.810 10.160 -2.459 1.00 87.63 C +ATOM 46 O PRO A 8 -9.057 9.577 -1.405 1.00 85.61 O +ATOM 47 CB PRO A 8 -9.768 8.998 -4.485 1.00 85.59 C +ATOM 48 CG PRO A 8 -10.039 7.606 -4.072 1.00 84.36 C +ATOM 49 CD PRO A 8 -8.716 6.971 -3.767 1.00 84.82 C +HETATM 50 N HYP A 9 -8.748 11.469 -2.552 1.00 86.36 N +HETATM 51 CA HYP A 9 -9.187 12.261 -1.403 1.00 88.26 C +HETATM 52 C HYP A 9 -8.553 11.981 -0.198 1.00 85.19 C +HETATM 53 O HYP A 9 -9.260 11.747 0.800 1.00 82.67 O +HETATM 54 CB HYP A 9 -9.368 13.602 -1.976 1.00 83.34 C +HETATM 55 CG HYP A 9 -8.769 13.560 -3.393 1.00 86.44 C +HETATM 56 CD HYP A 9 -8.591 12.141 -3.728 1.00 86.07 C +HETATM 57 OD1 HYP A 9 -7.540 14.205 -3.498 1.00 81.61 O +ATOM 58 N GLY A 10 -7.257 11.873 -0.162 1.00 88.20 N +ATOM 59 CA GLY A 10 -6.458 11.784 1.030 1.00 87.06 C +ATOM 60 C GLY A 10 -6.535 10.465 1.763 1.00 87.69 C +ATOM 61 O GLY A 10 -5.941 10.332 2.838 1.00 84.77 O +ATOM 62 N THR A 11 -7.251 9.494 1.220 1.00 86.95 N +ATOM 63 CA THR A 11 -7.311 8.180 1.854 1.00 86.61 C +ATOM 64 C THR A 11 -6.178 7.320 1.330 1.00 86.29 C +ATOM 65 O THR A 11 -5.907 7.289 0.136 1.00 84.30 O +ATOM 66 CB THR A 11 -8.652 7.483 1.595 1.00 84.46 C +ATOM 67 OG1 THR A 11 -8.800 7.229 0.204 1.00 81.51 O +ATOM 68 CG2 THR A 11 -9.809 8.347 2.069 1.00 81.11 C +HETATM 69 N HYP A 12 -5.552 6.595 2.197 1.00 87.78 N +HETATM 70 CA HYP A 12 -4.450 5.775 1.780 1.00 89.78 C +HETATM 71 C HYP A 12 -4.942 4.645 0.873 1.00 91.73 C +HETATM 72 O HYP A 12 -6.040 4.117 1.017 1.00 86.96 O +HETATM 73 CB HYP A 12 -3.898 5.250 3.064 1.00 84.51 C +HETATM 74 CG HYP A 12 -4.189 6.352 3.982 1.00 83.18 C +HETATM 75 CD HYP A 12 -5.556 6.750 3.603 1.00 86.79 C +HETATM 76 OD1 HYP A 12 -3.298 7.408 3.822 1.00 83.39 O +ATOM 77 N GLY A 13 -4.041 4.320 -0.034 1.00 89.24 N +ATOM 78 CA GLY A 13 -4.320 3.178 -0.873 1.00 88.09 C +ATOM 79 C GLY A 13 -4.267 1.902 -0.064 1.00 88.73 C +ATOM 80 O GLY A 13 -3.855 1.890 1.098 1.00 87.15 O +ATOM 81 N PRO A 14 -4.688 0.816 -0.671 1.00 89.21 N +ATOM 82 CA PRO A 14 -4.627 -0.466 0.022 1.00 89.55 C +ATOM 83 C PRO A 14 -3.184 -0.921 0.167 1.00 89.70 C +ATOM 84 O PRO A 14 -2.292 -0.443 -0.528 1.00 86.76 O +ATOM 85 CB PRO A 14 -5.401 -1.400 -0.899 1.00 87.37 C +ATOM 86 CG PRO A 14 -5.218 -0.803 -2.250 1.00 86.49 C +ATOM 87 CD PRO A 14 -5.169 0.688 -2.023 1.00 88.51 C +HETATM 88 N HYP A 15 -2.944 -1.820 1.073 1.00 88.05 N +HETATM 89 CA HYP A 15 -1.661 -2.363 1.185 1.00 89.28 C +HETATM 90 C HYP A 15 -1.140 -2.947 -0.084 1.00 88.86 C +HETATM 91 O HYP A 15 -1.929 -3.485 -0.893 1.00 87.92 O +HETATM 92 CB HYP A 15 -1.867 -3.355 2.294 1.00 86.18 C +HETATM 93 CG HYP A 15 -2.930 -2.755 3.123 1.00 83.82 C +HETATM 94 CD HYP A 15 -3.858 -2.210 2.098 1.00 87.85 C +HETATM 95 OD1 HYP A 15 -2.436 -1.718 3.927 1.00 83.79 O +ATOM 96 N GLY A 16 0.139 -2.780 -0.304 1.00 85.91 N +ATOM 97 CA GLY A 16 0.770 -3.382 -1.444 1.00 84.49 C +ATOM 98 C GLY A 16 0.731 -4.896 -1.350 1.00 84.40 C +ATOM 99 O GLY A 16 0.289 -5.464 -0.352 1.00 82.04 O +ATOM 100 N PRO A 17 1.188 -5.539 -2.383 1.00 82.31 N +ATOM 101 CA PRO A 17 1.206 -6.992 -2.362 1.00 81.87 C +ATOM 102 C PRO A 17 2.203 -7.501 -1.335 1.00 81.32 C +ATOM 103 O PRO A 17 3.144 -6.801 -0.969 1.00 78.10 O +ATOM 104 CB PRO A 17 1.626 -7.362 -3.785 1.00 79.71 C +ATOM 105 CG PRO A 17 2.411 -6.186 -4.244 1.00 78.95 C +ATOM 106 CD PRO A 17 1.768 -4.995 -3.596 1.00 80.48 C +HETATM 107 N HYP A 18 2.012 -8.694 -0.879 1.00 80.45 N +HETATM 108 CA HYP A 18 2.920 -9.274 0.009 1.00 85.27 C +HETATM 109 C HYP A 18 4.306 -9.294 -0.491 1.00 82.55 C +HETATM 110 O HYP A 18 4.534 -9.429 -1.700 1.00 78.98 O +HETATM 111 CB HYP A 18 2.333 -10.634 0.248 1.00 79.42 C +HETATM 112 CG HYP A 18 0.842 -10.426 0.088 1.00 81.23 C +HETATM 113 CD HYP A 18 0.800 -9.457 -1.027 1.00 84.36 C +HETATM 114 OD1 HYP A 18 0.291 -9.837 1.231 1.00 80.57 O +ATOM 115 N GLY A 19 5.248 -8.979 0.361 1.00 80.80 N +ATOM 116 CA GLY A 19 6.647 -9.071 0.017 1.00 77.76 C +ATOM 117 C GLY A 19 7.047 -10.526 -0.189 1.00 77.73 C +ATOM 118 O GLY A 19 6.246 -11.437 -0.027 1.00 75.35 O +ATOM 119 N PRO A 20 8.283 -10.727 -0.513 1.00 69.13 N +ATOM 120 CA PRO A 20 8.752 -12.096 -0.656 1.00 73.65 C +ATOM 121 C PRO A 20 8.911 -12.758 0.716 1.00 73.33 C +ATOM 122 O PRO A 20 9.525 -12.200 1.597 1.00 69.81 O +ATOM 123 CB PRO A 20 10.099 -11.915 -1.375 1.00 69.58 C +ATOM 124 CG PRO A 20 10.550 -10.556 -0.965 1.00 65.96 C +ATOM 125 CD PRO A 20 9.297 -9.740 -0.801 1.00 67.36 C +HETATM 126 N HYP A 21 8.018 -13.531 0.728 1.00 66.38 N +HETATM 127 CA HYP A 21 6.791 -14.083 0.529 1.00 56.41 C +HETATM 128 C HYP A 21 5.547 -13.596 0.097 1.00 60.85 C +HETATM 129 O HYP A 21 4.390 -13.877 0.402 1.00 58.72 O +HETATM 130 CB HYP A 21 6.703 -15.475 0.769 1.00 59.27 C +HETATM 131 CG HYP A 21 8.096 -15.879 0.638 1.00 66.40 C +HETATM 132 CD HYP A 21 8.863 -14.576 0.929 1.00 67.38 C +HETATM 133 OD1 HYP A 21 8.518 -16.946 1.405 1.00 70.13 O +HETATM 134 OXT HYP A 21 5.564 -12.765 -0.797 1.00 65.65 O +TER 135 HYP A 21 +END diff --git a/protein_pdb_160.txt b/protein_pdb_160.txt new file mode 100644 index 0000000000000000000000000000000000000000..1694435ed4f747e8a159ec9151b51cd4afdf840f --- /dev/null +++ b/protein_pdb_160.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -16.646 -17.026 28.116 1.00 90.94 N +ATOM 2 CA GLY A 1 -16.497 -17.612 26.787 1.00 93.14 C +ATOM 3 C GLY A 1 -15.246 -17.102 26.110 1.00 93.12 C +ATOM 4 O GLY A 1 -14.640 -16.132 26.574 1.00 90.90 O +ATOM 5 N PRO A 2 -14.826 -17.715 25.015 1.00 94.53 N +ATOM 6 CA PRO A 2 -13.620 -17.277 24.312 1.00 95.49 C +ATOM 7 C PRO A 2 -13.830 -15.935 23.626 1.00 95.51 C +ATOM 8 O PRO A 2 -14.948 -15.558 23.313 1.00 94.26 O +ATOM 9 CB PRO A 2 -13.378 -18.395 23.287 1.00 93.92 C +ATOM 10 CG PRO A 2 -14.750 -18.900 23.014 1.00 90.88 C +ATOM 11 CD PRO A 2 -15.445 -18.852 24.358 1.00 93.11 C +HETATM 12 N HYP A 3 -12.830 -15.253 23.461 1.00 93.05 N +HETATM 13 CA HYP A 3 -12.828 -13.956 22.696 1.00 92.35 C +HETATM 14 C HYP A 3 -13.369 -14.149 21.299 1.00 89.29 C +HETATM 15 O HYP A 3 -13.187 -15.221 20.694 1.00 93.14 O +HETATM 16 CB HYP A 3 -11.375 -13.549 22.711 1.00 90.55 C +HETATM 17 CG HYP A 3 -10.712 -14.326 23.845 1.00 87.47 C +HETATM 18 CD HYP A 3 -11.497 -15.640 23.866 1.00 92.46 C +HETATM 19 OD1 HYP A 3 -10.878 -13.668 25.068 1.00 92.42 O +ATOM 20 N GLY A 4 -14.002 -13.117 20.759 1.00 94.70 N +ATOM 21 CA GLY A 4 -14.501 -13.169 19.407 1.00 93.78 C +ATOM 22 C GLY A 4 -13.352 -13.137 18.411 1.00 93.81 C +ATOM 23 O GLY A 4 -12.207 -12.877 18.776 1.00 93.54 O +ATOM 24 N PRO A 5 -13.646 -13.388 17.136 1.00 94.80 N +ATOM 25 CA PRO A 5 -12.599 -13.393 16.119 1.00 94.86 C +ATOM 26 C PRO A 5 -12.094 -11.980 15.837 1.00 94.94 C +ATOM 27 O PRO A 5 -12.779 -11.001 16.098 1.00 93.94 O +ATOM 28 CB PRO A 5 -13.287 -13.996 14.899 1.00 93.27 C +ATOM 29 CG PRO A 5 -14.710 -13.598 15.083 1.00 91.17 C +ATOM 30 CD PRO A 5 -14.942 -13.716 16.576 1.00 93.65 C +HETATM 31 N HYP A 6 -10.924 -11.894 15.325 1.00 90.36 N +HETATM 32 CA HYP A 6 -10.363 -10.579 14.895 1.00 93.96 C +HETATM 33 C HYP A 6 -11.210 -9.928 13.844 1.00 87.19 C +HETATM 34 O HYP A 6 -11.847 -10.626 13.030 1.00 90.97 O +HETATM 35 CB HYP A 6 -8.974 -10.984 14.345 1.00 84.92 C +HETATM 36 CG HYP A 6 -8.631 -12.321 14.980 1.00 86.11 C +HETATM 37 CD HYP A 6 -9.997 -12.975 15.119 1.00 88.80 C +HETATM 38 OD1 HYP A 6 -8.056 -12.161 16.250 1.00 90.53 O +ATOM 39 N GLY A 7 -11.248 -8.593 13.826 1.00 94.60 N +ATOM 40 CA GLY A 7 -12.003 -7.861 12.842 1.00 93.46 C +ATOM 41 C GLY A 7 -11.372 -7.994 11.466 1.00 93.22 C +ATOM 42 O GLY A 7 -10.268 -8.528 11.326 1.00 92.90 O +ATOM 43 N PRO A 8 -12.062 -7.497 10.439 1.00 92.20 N +ATOM 44 CA PRO A 8 -11.536 -7.587 9.076 1.00 92.16 C +ATOM 45 C PRO A 8 -10.354 -6.651 8.859 1.00 91.33 C +ATOM 46 O PRO A 8 -10.175 -5.682 9.590 1.00 89.97 O +ATOM 47 CB PRO A 8 -12.728 -7.196 8.213 1.00 90.67 C +ATOM 48 CG PRO A 8 -13.482 -6.247 9.087 1.00 89.64 C +ATOM 49 CD PRO A 8 -13.358 -6.846 10.474 1.00 91.85 C +HETATM 50 N HYP A 9 -9.563 -6.898 7.856 1.00 85.55 N +HETATM 51 CA HYP A 9 -8.449 -6.051 7.481 1.00 89.09 C +HETATM 52 C HYP A 9 -8.915 -4.695 7.083 1.00 84.65 C +HETATM 53 O HYP A 9 -9.988 -4.546 6.461 1.00 86.22 O +HETATM 54 CB HYP A 9 -7.839 -6.792 6.243 1.00 86.31 C +HETATM 55 CG HYP A 9 -8.254 -8.211 6.403 1.00 84.22 C +HETATM 56 CD HYP A 9 -9.604 -8.094 7.052 1.00 87.95 C +HETATM 57 OD1 HYP A 9 -7.380 -8.912 7.255 1.00 82.76 O +ATOM 58 N GLY A 10 -8.137 -3.647 7.414 1.00 91.66 N +ATOM 59 CA GLY A 10 -8.473 -2.293 7.045 1.00 89.19 C +ATOM 60 C GLY A 10 -8.335 -2.094 5.542 1.00 88.31 C +ATOM 61 O GLY A 10 -7.755 -2.920 4.831 1.00 87.10 O +ATOM 62 N GLU A 11 -8.864 -0.969 5.056 1.00 91.71 N +ATOM 63 CA GLU A 11 -8.772 -0.650 3.634 1.00 91.80 C +ATOM 64 C GLU A 11 -7.331 -0.352 3.238 1.00 91.16 C +ATOM 65 O GLU A 11 -6.551 0.188 4.017 1.00 87.23 O +ATOM 66 CB GLU A 11 -9.623 0.575 3.292 1.00 88.60 C +ATOM 67 CG GLU A 11 -11.110 0.335 3.318 1.00 80.51 C +ATOM 68 CD GLU A 11 -11.851 1.569 2.827 1.00 76.74 C +ATOM 69 OE1 GLU A 11 -11.950 2.535 3.607 1.00 72.10 O +ATOM 70 OE2 GLU A 11 -12.292 1.578 1.671 1.00 72.62 O +ATOM 71 N LYS A 12 -6.984 -0.706 1.992 1.00 89.90 N +ATOM 72 CA LYS A 12 -5.657 -0.392 1.481 1.00 89.99 C +ATOM 73 C LYS A 12 -5.595 1.115 1.263 1.00 90.27 C +ATOM 74 O LYS A 12 -6.556 1.725 0.818 1.00 87.06 O +ATOM 75 CB LYS A 12 -5.407 -1.140 0.157 1.00 84.95 C +ATOM 76 CG LYS A 12 -4.014 -0.904 -0.418 1.00 80.76 C +ATOM 77 CD LYS A 12 -3.781 -1.695 -1.687 1.00 77.57 C +ATOM 78 CE LYS A 12 -2.380 -1.461 -2.245 1.00 72.27 C +ATOM 79 NZ LYS A 12 -2.149 -2.231 -3.484 1.00 68.20 N +ATOM 80 N GLY A 13 -4.446 1.693 1.612 1.00 88.99 N +ATOM 81 CA GLY A 13 -4.272 3.128 1.458 1.00 87.74 C +ATOM 82 C GLY A 13 -4.294 3.576 0.007 1.00 88.54 C +ATOM 83 O GLY A 13 -4.221 2.751 -0.908 1.00 88.19 O +ATOM 84 N PRO A 14 -4.391 4.894 -0.234 1.00 89.72 N +ATOM 85 CA PRO A 14 -4.426 5.419 -1.594 1.00 90.25 C +ATOM 86 C PRO A 14 -3.072 5.288 -2.281 1.00 90.22 C +ATOM 87 O PRO A 14 -2.051 5.102 -1.625 1.00 88.44 O +ATOM 88 CB PRO A 14 -4.809 6.884 -1.392 1.00 88.19 C +ATOM 89 CG PRO A 14 -4.243 7.210 -0.056 1.00 86.25 C +ATOM 90 CD PRO A 14 -4.487 5.964 0.763 1.00 87.88 C +HETATM 91 N HYP A 15 -3.058 5.409 -3.635 1.00 78.75 N +HETATM 92 CA HYP A 15 -1.830 5.380 -4.382 1.00 80.35 C +HETATM 93 C HYP A 15 -0.877 6.470 -3.940 1.00 79.27 C +HETATM 94 O HYP A 15 -1.354 7.540 -3.497 1.00 79.30 O +HETATM 95 CB HYP A 15 -2.314 5.617 -5.821 1.00 79.64 C +HETATM 96 CG HYP A 15 -3.747 5.153 -5.814 1.00 80.42 C +HETATM 97 CD HYP A 15 -4.213 5.509 -4.446 1.00 82.84 C +HETATM 98 OD1 HYP A 15 -3.842 3.777 -6.004 1.00 80.95 O +ATOM 99 N GLY A 16 0.394 6.226 -3.989 1.00 92.42 N +ATOM 100 CA GLY A 16 1.365 7.219 -3.618 1.00 90.35 C +ATOM 101 C GLY A 16 1.386 8.356 -4.625 1.00 90.74 C +ATOM 102 O GLY A 16 0.777 8.261 -5.696 1.00 91.05 O +ATOM 103 N PRO A 17 2.103 9.451 -4.304 1.00 87.93 N +ATOM 104 CA PRO A 17 2.181 10.590 -5.218 1.00 89.18 C +ATOM 105 C PRO A 17 3.007 10.264 -6.450 1.00 89.33 C +ATOM 106 O PRO A 17 3.825 9.349 -6.438 1.00 88.78 O +ATOM 107 CB PRO A 17 2.829 11.677 -4.370 1.00 87.24 C +ATOM 108 CG PRO A 17 3.682 10.906 -3.418 1.00 84.24 C +ATOM 109 CD PRO A 17 2.857 9.685 -3.085 1.00 86.00 C +HETATM 110 N HYP A 18 2.827 11.009 -7.530 1.00 84.78 N +HETATM 111 CA HYP A 18 3.630 10.873 -8.719 1.00 89.29 C +HETATM 112 C HYP A 18 5.107 11.085 -8.477 1.00 84.39 C +HETATM 113 O HYP A 18 5.473 11.885 -7.587 1.00 88.94 O +HETATM 114 CB HYP A 18 3.061 11.918 -9.649 1.00 84.65 C +HETATM 115 CG HYP A 18 1.648 12.143 -9.192 1.00 83.95 C +HETATM 116 CD HYP A 18 1.759 11.936 -7.714 1.00 89.75 C +HETATM 117 OD1 HYP A 18 0.760 11.213 -9.741 1.00 88.69 O +ATOM 118 N GLY A 19 5.946 10.385 -9.172 1.00 91.53 N +ATOM 119 CA GLY A 19 7.374 10.522 -9.018 1.00 90.29 C +ATOM 120 C GLY A 19 7.841 11.875 -9.521 1.00 90.70 C +ATOM 121 O GLY A 19 7.080 12.621 -10.144 1.00 90.29 O +ATOM 122 N PRO A 20 9.103 12.217 -9.271 1.00 91.32 N +ATOM 123 CA PRO A 20 9.648 13.499 -9.706 1.00 91.49 C +ATOM 124 C PRO A 20 9.864 13.528 -11.216 1.00 91.10 C +ATOM 125 O PRO A 20 9.922 12.489 -11.863 1.00 90.17 O +ATOM 126 CB PRO A 20 10.965 13.594 -8.943 1.00 88.97 C +ATOM 127 CG PRO A 20 11.377 12.169 -8.814 1.00 85.99 C +ATOM 128 CD PRO A 20 10.086 11.429 -8.545 1.00 88.85 C +HETATM 129 N HYP A 21 10.001 14.720 -11.803 1.00 92.65 N +HETATM 130 CA HYP A 21 10.295 14.878 -13.204 1.00 90.59 C +HETATM 131 C HYP A 21 11.622 14.255 -13.631 1.00 88.38 C +HETATM 132 O HYP A 21 12.557 14.232 -12.828 1.00 93.43 O +HETATM 133 CB HYP A 21 10.410 16.425 -13.362 1.00 88.78 C +HETATM 134 CG HYP A 21 9.593 17.008 -12.225 1.00 85.65 C +HETATM 135 CD HYP A 21 9.802 16.002 -11.134 1.00 90.41 C +HETATM 136 OD1 HYP A 21 8.208 17.050 -12.545 1.00 90.41 O +ATOM 137 N GLY A 22 11.712 13.682 -14.805 1.00 92.14 N +ATOM 138 CA GLY A 22 12.922 13.087 -15.293 1.00 91.36 C +ATOM 139 C GLY A 22 13.983 14.158 -15.507 1.00 91.70 C +ATOM 140 O GLY A 22 13.700 15.351 -15.409 1.00 90.12 O +ATOM 141 N PRO A 23 15.209 13.765 -15.848 1.00 93.24 N +ATOM 142 CA PRO A 23 16.277 14.732 -16.060 1.00 93.37 C +ATOM 143 C PRO A 23 16.020 15.550 -17.314 1.00 92.70 C +ATOM 144 O PRO A 23 15.344 15.102 -18.236 1.00 89.56 O +ATOM 145 CB PRO A 23 17.530 13.875 -16.184 1.00 90.56 C +ATOM 146 CG PRO A 23 17.008 12.574 -16.696 1.00 87.85 C +ATOM 147 CD PRO A 23 15.680 12.398 -16.013 1.00 90.86 C +HETATM 148 N HYP A 24 16.600 16.736 -17.441 1.00 93.25 N +HETATM 149 CA HYP A 24 16.323 17.558 -18.627 1.00 87.74 C +HETATM 150 C HYP A 24 16.949 16.889 -19.870 1.00 90.67 C +HETATM 151 O HYP A 24 16.363 17.009 -20.894 1.00 89.51 O +HETATM 152 CB HYP A 24 17.136 18.878 -18.334 1.00 91.15 C +HETATM 153 CG HYP A 24 17.419 18.914 -16.870 1.00 89.20 C +HETATM 154 CD HYP A 24 17.446 17.431 -16.467 1.00 91.42 C +HETATM 155 OD1 HYP A 24 16.347 19.541 -16.202 1.00 86.28 O +HETATM 156 OXT HYP A 24 18.042 16.300 -19.734 1.00 85.07 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_161.txt b/protein_pdb_161.txt new file mode 100644 index 0000000000000000000000000000000000000000..55505d80729e3faa7966410d2234a4e02a7af329 --- /dev/null +++ b/protein_pdb_161.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 13.623 -3.805 2.371 1.00 86.50 N +ATOM 2 CA GLY A 1 13.190 -3.234 1.120 1.00 87.92 C +ATOM 3 C GLY A 1 12.283 -2.046 1.337 1.00 89.04 C +ATOM 4 O GLY A 1 11.952 -1.699 2.470 1.00 87.17 O +ATOM 5 N PRO A 2 11.758 -1.363 0.237 1.00 87.82 N +ATOM 6 CA PRO A 2 10.892 -0.202 0.346 1.00 89.18 C +ATOM 7 C PRO A 2 9.480 -0.589 0.754 1.00 89.50 C +ATOM 8 O PRO A 2 9.093 -1.745 0.679 1.00 86.92 O +ATOM 9 CB PRO A 2 10.916 0.379 -1.070 1.00 86.37 C +ATOM 10 CG PRO A 2 11.148 -0.802 -1.934 1.00 83.36 C +ATOM 11 CD PRO A 2 12.056 -1.712 -1.155 1.00 84.72 C +HETATM 12 N HYP A 3 8.735 0.437 1.188 1.00 87.57 N +HETATM 13 CA HYP A 3 7.327 0.190 1.485 1.00 89.16 C +HETATM 14 C HYP A 3 6.600 -0.298 0.263 1.00 90.58 C +HETATM 15 O HYP A 3 6.933 0.092 -0.877 1.00 90.51 O +HETATM 16 CB HYP A 3 6.817 1.626 1.872 1.00 88.12 C +HETATM 17 CG HYP A 3 8.046 2.341 2.400 1.00 84.74 C +HETATM 18 CD HYP A 3 9.163 1.805 1.467 1.00 88.09 C +HETATM 19 OD1 HYP A 3 8.286 1.903 3.708 1.00 85.70 O +ATOM 20 N GLY A 4 5.685 -1.216 0.494 1.00 92.52 N +ATOM 21 CA GLY A 4 4.865 -1.692 -0.586 1.00 92.17 C +ATOM 22 C GLY A 4 3.955 -0.605 -1.111 1.00 92.64 C +ATOM 23 O GLY A 4 3.774 0.444 -0.489 1.00 92.29 O +ATOM 24 N PRO A 5 3.375 -0.842 -2.275 1.00 90.84 N +ATOM 25 CA PRO A 5 2.475 0.144 -2.852 1.00 90.59 C +ATOM 26 C PRO A 5 1.171 0.218 -2.081 1.00 90.20 C +ATOM 27 O PRO A 5 0.822 -0.683 -1.327 1.00 88.95 O +ATOM 28 CB PRO A 5 2.254 -0.380 -4.271 1.00 89.39 C +ATOM 29 CG PRO A 5 2.423 -1.849 -4.133 1.00 87.69 C +ATOM 30 CD PRO A 5 3.489 -2.043 -3.096 1.00 89.21 C +HETATM 31 N HYP A 6 0.456 1.341 -2.290 1.00 88.78 N +HETATM 32 CA HYP A 6 -0.842 1.438 -1.700 1.00 89.96 C +HETATM 33 C HYP A 6 -1.749 0.339 -2.177 1.00 92.05 C +HETATM 34 O HYP A 6 -1.633 -0.130 -3.326 1.00 91.00 O +HETATM 35 CB HYP A 6 -1.343 2.822 -2.215 1.00 86.23 C +HETATM 36 CG HYP A 6 -0.091 3.612 -2.440 1.00 85.39 C +HETATM 37 CD HYP A 6 0.867 2.548 -2.995 1.00 88.54 C +HETATM 38 OD1 HYP A 6 0.395 4.062 -1.196 1.00 85.44 O +ATOM 39 N GLY A 7 -2.581 -0.123 -1.297 1.00 92.12 N +ATOM 40 CA GLY A 7 -3.556 -1.112 -1.665 1.00 91.66 C +ATOM 41 C GLY A 7 -4.532 -0.576 -2.685 1.00 91.93 C +ATOM 42 O GLY A 7 -4.617 0.631 -2.922 1.00 91.54 O +ATOM 43 N PRO A 8 -5.261 -1.468 -3.299 1.00 90.94 N +ATOM 44 CA PRO A 8 -6.221 -1.038 -4.299 1.00 90.67 C +ATOM 45 C PRO A 8 -7.409 -0.338 -3.662 1.00 90.83 C +ATOM 46 O PRO A 8 -7.675 -0.483 -2.477 1.00 89.09 O +ATOM 47 CB PRO A 8 -6.643 -2.346 -4.965 1.00 88.96 C +ATOM 48 CG PRO A 8 -6.471 -3.360 -3.891 1.00 87.61 C +ATOM 49 CD PRO A 8 -5.271 -2.909 -3.101 1.00 89.23 C +HETATM 50 N HYP A 9 -8.134 0.436 -4.494 1.00 87.07 N +HETATM 51 CA HYP A 9 -9.307 1.048 -4.019 1.00 90.29 C +HETATM 52 C HYP A 9 -10.335 0.034 -3.626 1.00 90.55 C +HETATM 53 O HYP A 9 -10.483 -0.994 -4.283 1.00 90.62 O +HETATM 54 CB HYP A 9 -9.813 1.831 -5.260 1.00 85.95 C +HETATM 55 CG HYP A 9 -8.624 2.056 -6.103 1.00 82.08 C +HETATM 56 CD HYP A 9 -7.781 0.831 -5.877 1.00 87.16 C +HETATM 57 OD1 HYP A 9 -7.915 3.169 -5.600 1.00 83.61 O +ATOM 58 N GLY A 10 -10.992 0.217 -2.524 1.00 90.94 N +ATOM 59 CA GLY A 10 -12.104 -0.614 -2.135 1.00 89.08 C +ATOM 60 C GLY A 10 -13.301 -0.333 -3.016 1.00 89.40 C +ATOM 61 O GLY A 10 -13.256 0.511 -3.908 1.00 88.44 O +ATOM 62 N PRO A 11 -14.405 -1.022 -2.746 1.00 87.49 N +ATOM 63 CA PRO A 11 -15.596 -0.796 -3.566 1.00 88.64 C +ATOM 64 C PRO A 11 -16.014 0.666 -3.646 1.00 89.29 C +ATOM 65 O PRO A 11 -16.540 1.102 -4.672 1.00 87.04 O +ATOM 66 CB PRO A 11 -16.660 -1.644 -2.874 1.00 87.14 C +ATOM 67 CG PRO A 11 -15.874 -2.727 -2.223 1.00 85.94 C +ATOM 68 CD PRO A 11 -14.595 -2.080 -1.769 1.00 85.29 C +ATOM 69 N SER A 12 -15.775 1.405 -2.590 1.00 90.94 N +ATOM 70 CA SER A 12 -16.018 2.844 -2.582 1.00 91.45 C +ATOM 71 C SER A 12 -15.006 3.569 -1.717 1.00 91.45 C +ATOM 72 O SER A 12 -15.151 4.764 -1.469 1.00 86.80 O +ATOM 73 CB SER A 12 -17.434 3.135 -2.084 1.00 87.92 C +ATOM 74 OG SER A 12 -17.601 2.657 -0.776 1.00 79.67 O +ATOM 75 N GLY A 13 -14.010 2.861 -1.257 1.00 92.23 N +ATOM 76 CA GLY A 13 -13.089 3.391 -0.287 1.00 90.71 C +ATOM 77 C GLY A 13 -11.766 3.809 -0.876 1.00 91.95 C +ATOM 78 O GLY A 13 -11.479 3.563 -2.051 1.00 91.94 O +ATOM 79 N PRO A 14 -10.949 4.453 -0.067 1.00 91.42 N +ATOM 80 CA PRO A 14 -9.648 4.912 -0.516 1.00 91.15 C +ATOM 81 C PRO A 14 -8.672 3.757 -0.671 1.00 91.34 C +ATOM 82 O PRO A 14 -8.916 2.648 -0.204 1.00 89.75 O +ATOM 83 CB PRO A 14 -9.210 5.854 0.605 1.00 90.00 C +ATOM 84 CG PRO A 14 -9.852 5.282 1.822 1.00 88.38 C +ATOM 85 CD PRO A 14 -11.178 4.746 1.357 1.00 89.09 C +HETATM 86 N HYP A 15 -7.557 4.101 -1.312 1.00 91.37 N +HETATM 87 CA HYP A 15 -6.514 3.115 -1.401 1.00 91.28 C +HETATM 88 C HYP A 15 -6.058 2.699 -0.031 1.00 93.17 C +HETATM 89 O HYP A 15 -6.119 3.509 0.921 1.00 91.13 O +HETATM 90 CB HYP A 15 -5.405 3.915 -2.112 1.00 88.62 C +HETATM 91 CG HYP A 15 -6.140 4.947 -2.947 1.00 86.40 C +HETATM 92 CD HYP A 15 -7.282 5.349 -2.023 1.00 89.79 C +HETATM 93 OD1 HYP A 15 -6.646 4.348 -4.102 1.00 87.23 O +ATOM 94 N GLY A 16 -5.653 1.465 0.075 1.00 92.91 N +ATOM 95 CA GLY A 16 -5.081 0.995 1.311 1.00 92.86 C +ATOM 96 C GLY A 16 -3.751 1.658 1.590 1.00 93.32 C +ATOM 97 O GLY A 16 -3.162 2.308 0.719 1.00 92.78 O +ATOM 98 N PRO A 17 -3.273 1.501 2.802 1.00 90.90 N +ATOM 99 CA PRO A 17 -1.994 2.081 3.160 1.00 90.58 C +ATOM 100 C PRO A 17 -0.846 1.366 2.466 1.00 90.83 C +ATOM 101 O PRO A 17 -0.998 0.249 1.980 1.00 89.12 O +ATOM 102 CB PRO A 17 -1.933 1.895 4.673 1.00 89.36 C +ATOM 103 CG PRO A 17 -2.768 0.683 4.910 1.00 87.38 C +ATOM 104 CD PRO A 17 -3.869 0.747 3.900 1.00 88.42 C +HETATM 105 N HYP A 18 0.317 2.047 2.435 1.00 88.46 N +HETATM 106 CA HYP A 18 1.463 1.382 1.935 1.00 88.59 C +HETATM 107 C HYP A 18 1.759 0.133 2.692 1.00 91.16 C +HETATM 108 O HYP A 18 1.497 0.056 3.899 1.00 89.54 O +HETATM 109 CB HYP A 18 2.577 2.436 2.161 1.00 86.86 C +HETATM 110 CG HYP A 18 1.862 3.755 2.116 1.00 85.58 C +HETATM 111 CD HYP A 18 0.548 3.424 2.809 1.00 88.91 C +HETATM 112 OD1 HYP A 18 1.604 4.099 0.761 1.00 85.91 O +ATOM 113 N GLY A 19 2.224 -0.864 1.976 1.00 87.61 N +ATOM 114 CA GLY A 19 2.645 -2.078 2.607 1.00 87.27 C +ATOM 115 C GLY A 19 3.850 -1.850 3.496 1.00 87.63 C +ATOM 116 O GLY A 19 4.498 -0.804 3.444 1.00 88.07 O +ATOM 117 N PRO A 20 4.156 -2.828 4.315 1.00 83.91 N +ATOM 118 CA PRO A 20 5.304 -2.694 5.192 1.00 84.08 C +ATOM 119 C PRO A 20 6.605 -2.774 4.414 1.00 83.53 C +ATOM 120 O PRO A 20 6.637 -3.226 3.271 1.00 83.93 O +ATOM 121 CB PRO A 20 5.150 -3.884 6.140 1.00 82.36 C +ATOM 122 CG PRO A 20 4.418 -4.890 5.329 1.00 79.42 C +ATOM 123 CD PRO A 20 3.477 -4.111 4.455 1.00 80.18 C +HETATM 124 N HYP A 21 7.665 -2.303 5.062 1.00 87.88 N +HETATM 125 CA HYP A 21 8.952 -2.466 4.454 1.00 88.75 C +HETATM 126 C HYP A 21 9.287 -3.892 4.138 1.00 89.19 C +HETATM 127 O HYP A 21 8.830 -4.775 4.844 1.00 91.25 O +HETATM 128 CB HYP A 21 9.911 -1.884 5.502 1.00 86.30 C +HETATM 129 CG HYP A 21 9.071 -0.889 6.273 1.00 82.30 C +HETATM 130 CD HYP A 21 7.721 -1.573 6.321 1.00 88.13 C +HETATM 131 OD1 HYP A 21 8.927 0.311 5.515 1.00 81.67 O +ATOM 132 N GLY A 22 9.947 -4.116 3.048 1.00 87.74 N +ATOM 133 CA GLY A 22 10.380 -5.438 2.693 1.00 85.66 C +ATOM 134 C GLY A 22 11.399 -5.970 3.688 1.00 85.44 C +ATOM 135 O GLY A 22 11.787 -5.287 4.636 1.00 84.94 O +ATOM 136 N PRO A 23 11.855 -7.193 3.474 1.00 90.34 N +ATOM 137 CA PRO A 23 12.851 -7.757 4.376 1.00 90.26 C +ATOM 138 C PRO A 23 14.141 -6.962 4.323 1.00 88.74 C +ATOM 139 O PRO A 23 14.417 -6.255 3.357 1.00 85.35 O +ATOM 140 CB PRO A 23 13.032 -9.182 3.866 1.00 87.64 C +ATOM 141 CG PRO A 23 12.529 -9.167 2.486 1.00 85.15 C +ATOM 142 CD PRO A 23 11.508 -8.084 2.390 1.00 87.04 C +HETATM 143 N HYP A 24 14.880 -6.989 5.290 1.00 89.56 N +HETATM 144 CA HYP A 24 16.116 -6.232 5.287 1.00 84.43 C +HETATM 145 C HYP A 24 16.539 -5.836 3.940 1.00 86.96 C +HETATM 146 O HYP A 24 17.629 -6.062 3.501 1.00 85.40 O +HETATM 147 CB HYP A 24 16.996 -6.916 6.195 1.00 86.55 C +HETATM 148 CG HYP A 24 16.099 -7.680 7.154 1.00 84.60 C +HETATM 149 CD HYP A 24 14.856 -7.961 6.332 1.00 88.42 C +HETATM 150 OD1 HYP A 24 15.708 -6.862 8.253 1.00 84.40 O +HETATM 151 OXT HYP A 24 15.770 -5.146 3.274 1.00 81.03 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_162.txt b/protein_pdb_162.txt new file mode 100644 index 0000000000000000000000000000000000000000..62f763fd6d0099067669914413422e9365ce2294 --- /dev/null +++ b/protein_pdb_162.txt @@ -0,0 +1,203 @@ +ATOM 1 N GLY A 1 42.399 -9.294 21.488 1.00 88.70 N +ATOM 2 CA GLY A 1 41.139 -9.999 21.724 1.00 90.01 C +ATOM 3 C GLY A 1 40.479 -10.421 20.429 1.00 91.10 C +ATOM 4 O GLY A 1 40.945 -10.049 19.350 1.00 88.43 O +ATOM 5 N PRO A 2 39.389 -11.180 20.489 1.00 95.01 N +ATOM 6 CA PRO A 2 38.690 -11.626 19.284 1.00 95.16 C +ATOM 7 C PRO A 2 37.976 -10.471 18.598 1.00 95.41 C +ATOM 8 O PRO A 2 37.707 -9.437 19.197 1.00 94.17 O +ATOM 9 CB PRO A 2 37.700 -12.670 19.800 1.00 92.54 C +ATOM 10 CG PRO A 2 37.429 -12.243 21.200 1.00 89.88 C +ATOM 11 CD PRO A 2 38.749 -11.701 21.695 1.00 92.32 C +HETATM 12 N HYP A 3 37.702 -10.632 17.360 1.00 94.97 N +HETATM 13 CA HYP A 3 36.953 -9.663 16.568 1.00 93.97 C +HETATM 14 C HYP A 3 35.548 -9.404 17.181 1.00 95.06 C +HETATM 15 O HYP A 3 34.957 -10.279 17.821 1.00 93.78 O +HETATM 16 CB HYP A 3 36.815 -10.335 15.189 1.00 91.78 C +HETATM 17 CG HYP A 3 37.940 -11.301 15.156 1.00 89.94 C +HETATM 18 CD HYP A 3 38.069 -11.787 16.598 1.00 93.86 C +HETATM 19 OD1 HYP A 3 39.142 -10.708 14.770 1.00 90.42 O +ATOM 20 N GLY A 4 35.082 -8.153 16.964 1.00 95.59 N +ATOM 21 CA GLY A 4 33.792 -7.793 17.488 1.00 94.62 C +ATOM 22 C GLY A 4 32.670 -8.570 16.800 1.00 95.03 C +ATOM 23 O GLY A 4 32.835 -9.091 15.697 1.00 94.22 O +ATOM 24 N ALA A 5 31.517 -8.621 17.460 1.00 96.50 N +ATOM 25 CA ALA A 5 30.354 -9.321 16.930 1.00 96.39 C +ATOM 26 C ALA A 5 29.770 -8.564 15.749 1.00 96.66 C +ATOM 27 O ALA A 5 29.894 -7.346 15.654 1.00 95.94 O +ATOM 28 CB ALA A 5 29.306 -9.491 18.023 1.00 94.10 C +HETATM 29 N HYP A 6 29.136 -9.273 14.847 1.00 96.95 N +HETATM 30 CA HYP A 6 28.431 -8.640 13.740 1.00 96.39 C +HETATM 31 C HYP A 6 27.298 -7.711 14.207 1.00 97.16 C +HETATM 32 O HYP A 6 26.675 -7.960 15.233 1.00 95.49 O +HETATM 33 CB HYP A 6 27.803 -9.846 12.935 1.00 94.04 C +HETATM 34 CG HYP A 6 28.660 -10.988 13.312 1.00 91.01 C +HETATM 35 CD HYP A 6 29.019 -10.703 14.750 1.00 95.09 C +HETATM 36 OD1 HYP A 6 29.816 -11.043 12.541 1.00 90.26 O +ATOM 37 N GLY A 7 27.091 -6.647 13.425 1.00 96.69 N +ATOM 38 CA GLY A 7 26.053 -5.707 13.769 1.00 96.03 C +ATOM 39 C GLY A 7 24.678 -6.341 13.664 1.00 96.41 C +ATOM 40 O GLY A 7 24.485 -7.350 12.976 1.00 96.09 O +ATOM 41 N ALA A 8 23.719 -5.724 14.334 1.00 97.20 N +ATOM 42 CA ALA A 8 22.345 -6.208 14.320 1.00 97.29 C +ATOM 43 C ALA A 8 21.720 -5.981 12.952 1.00 97.55 C +ATOM 44 O ALA A 8 22.091 -5.058 12.232 1.00 97.04 O +ATOM 45 CB ALA A 8 21.530 -5.505 15.391 1.00 95.66 C +HETATM 46 N HYP A 9 20.751 -6.808 12.579 1.00 97.49 N +HETATM 47 CA HYP A 9 20.015 -6.598 11.347 1.00 96.65 C +HETATM 48 C HYP A 9 19.229 -5.302 11.354 1.00 97.45 C +HETATM 49 O HYP A 9 18.778 -4.826 12.380 1.00 96.18 O +HETATM 50 CB HYP A 9 18.967 -7.801 11.333 1.00 94.06 C +HETATM 51 CG HYP A 9 19.579 -8.841 12.185 1.00 91.34 C +HETATM 52 CD HYP A 9 20.290 -8.013 13.228 1.00 95.79 C +HETATM 53 OD1 HYP A 9 20.546 -9.596 11.481 1.00 90.54 O +ATOM 54 N GLY A 10 19.165 -4.679 10.151 1.00 97.39 N +ATOM 55 CA GLY A 10 18.464 -3.425 10.019 1.00 97.14 C +ATOM 56 C GLY A 10 16.980 -3.592 10.302 1.00 97.53 C +ATOM 57 O GLY A 10 16.432 -4.696 10.240 1.00 97.49 O +ATOM 58 N ALA A 11 16.330 -2.478 10.589 1.00 97.70 N +ATOM 59 CA ALA A 11 14.897 -2.473 10.850 1.00 97.86 C +ATOM 60 C ALA A 11 14.139 -2.737 9.557 1.00 98.16 C +ATOM 61 O ALA A 11 14.621 -2.442 8.468 1.00 97.79 O +ATOM 62 CB ALA A 11 14.475 -1.139 11.444 1.00 96.79 C +HETATM 63 N HYP A 12 12.952 -3.305 9.677 1.00 98.08 N +HETATM 64 CA HYP A 12 12.081 -3.433 8.509 1.00 97.48 C +HETATM 65 C HYP A 12 11.778 -2.145 7.875 1.00 97.77 C +HETATM 66 O HYP A 12 11.622 -1.141 8.552 1.00 96.73 O +HETATM 67 CB HYP A 12 10.784 -4.119 9.043 1.00 96.28 C +HETATM 68 CG HYP A 12 11.208 -4.798 10.301 1.00 94.72 C +HETATM 69 CD HYP A 12 12.301 -3.887 10.819 1.00 96.80 C +HETATM 70 OD1 HYP A 12 11.754 -6.069 10.046 1.00 93.91 O +ATOM 71 N GLY A 13 11.691 -2.111 6.529 1.00 97.84 N +ATOM 72 CA GLY A 13 11.369 -0.913 5.794 1.00 97.49 C +ATOM 73 C GLY A 13 9.956 -0.450 6.090 1.00 97.70 C +ATOM 74 O GLY A 13 9.147 -1.183 6.653 1.00 97.62 O +ATOM 75 N PRO A 14 9.625 0.784 5.678 1.00 97.98 N +ATOM 76 CA PRO A 14 8.281 1.298 5.917 1.00 97.61 C +ATOM 77 C PRO A 14 7.248 0.608 5.042 1.00 97.63 C +ATOM 78 O PRO A 14 7.565 0.035 3.995 1.00 96.94 O +ATOM 79 CB PRO A 14 8.405 2.790 5.572 1.00 96.68 C +ATOM 80 CG PRO A 14 9.479 2.804 4.536 1.00 95.86 C +ATOM 81 CD PRO A 14 10.472 1.758 4.995 1.00 97.38 C +ATOM 82 N VAL A 15 5.981 0.682 5.466 1.00 97.94 N +ATOM 83 CA VAL A 15 4.880 0.128 4.687 1.00 97.51 C +ATOM 84 C VAL A 15 4.785 0.907 3.386 1.00 97.64 C +ATOM 85 O VAL A 15 4.973 2.131 3.361 1.00 97.19 O +ATOM 86 CB VAL A 15 3.559 0.214 5.477 1.00 96.48 C +ATOM 87 CG1 VAL A 15 2.393 -0.275 4.637 1.00 92.54 C +ATOM 88 CG2 VAL A 15 3.656 -0.608 6.755 1.00 92.36 C +ATOM 89 N GLY A 16 4.537 0.207 2.289 1.00 97.56 N +ATOM 90 CA GLY A 16 4.437 0.861 1.000 1.00 97.13 C +ATOM 91 C GLY A 16 3.241 1.793 0.918 1.00 97.40 C +ATOM 92 O GLY A 16 2.348 1.765 1.764 1.00 97.40 O +ATOM 93 N PRO A 17 3.203 2.625 -0.124 1.00 97.79 N +ATOM 94 CA PRO A 17 2.088 3.556 -0.267 1.00 97.50 C +ATOM 95 C PRO A 17 0.783 2.817 -0.562 1.00 97.58 C +ATOM 96 O PRO A 17 0.778 1.708 -1.093 1.00 97.05 O +ATOM 97 CB PRO A 17 2.511 4.446 -1.438 1.00 96.60 C +ATOM 98 CG PRO A 17 3.405 3.566 -2.236 1.00 95.72 C +ATOM 99 CD PRO A 17 4.168 2.761 -1.210 1.00 96.99 C +ATOM 100 N ALA A 18 -0.328 3.469 -0.212 1.00 97.55 N +ATOM 101 CA ALA A 18 -1.635 2.886 -0.467 1.00 97.50 C +ATOM 102 C ALA A 18 -1.865 2.757 -1.971 1.00 97.69 C +ATOM 103 O ALA A 18 -1.365 3.554 -2.767 1.00 96.50 O +ATOM 104 CB ALA A 18 -2.729 3.748 0.157 1.00 96.54 C +ATOM 105 N GLY A 19 -2.618 1.742 -2.359 1.00 97.69 N +ATOM 106 CA GLY A 19 -2.916 1.536 -3.762 1.00 97.22 C +ATOM 107 C GLY A 19 -3.790 2.646 -4.315 1.00 97.49 C +ATOM 108 O GLY A 19 -4.436 3.388 -3.577 1.00 97.47 O +ATOM 109 N ALA A 20 -3.799 2.757 -5.635 1.00 97.42 N +ATOM 110 CA ALA A 20 -4.596 3.779 -6.293 1.00 97.22 C +ATOM 111 C ALA A 20 -6.083 3.514 -6.096 1.00 97.37 C +ATOM 112 O ALA A 20 -6.519 2.370 -5.977 1.00 96.42 O +ATOM 113 CB ALA A 20 -4.262 3.819 -7.781 1.00 95.94 C +ATOM 114 N ARG A 21 -6.863 4.578 -6.080 1.00 96.48 N +ATOM 115 CA ARG A 21 -8.311 4.453 -5.963 1.00 96.27 C +ATOM 116 C ARG A 21 -8.843 3.733 -7.200 1.00 96.34 C +ATOM 117 O ARG A 21 -8.365 3.965 -8.312 1.00 95.27 O +ATOM 118 CB ARG A 21 -8.949 5.842 -5.837 1.00 94.06 C +ATOM 119 CG ARG A 21 -10.461 5.804 -5.665 1.00 89.36 C +ATOM 120 CD ARG A 21 -11.040 7.198 -5.558 1.00 86.03 C +ATOM 121 NE ARG A 21 -12.483 7.174 -5.376 1.00 81.11 N +ATOM 122 CZ ARG A 21 -13.251 8.252 -5.272 1.00 77.50 C +ATOM 123 NH1 ARG A 21 -12.715 9.459 -5.343 1.00 74.21 N +ATOM 124 NH2 ARG A 21 -14.547 8.116 -5.107 1.00 72.96 N +ATOM 125 N GLY A 22 -9.824 2.879 -6.998 1.00 97.20 N +ATOM 126 CA GLY A 22 -10.422 2.163 -8.103 1.00 96.72 C +ATOM 127 C GLY A 22 -11.202 3.083 -9.023 1.00 97.22 C +ATOM 128 O GLY A 22 -11.475 4.235 -8.678 1.00 97.38 O +ATOM 129 N PRO A 23 -11.571 2.593 -10.213 1.00 97.04 N +ATOM 130 CA PRO A 23 -12.319 3.413 -11.163 1.00 96.99 C +ATOM 131 C PRO A 23 -13.731 3.674 -10.669 1.00 97.30 C +ATOM 132 O PRO A 23 -14.257 2.947 -9.838 1.00 97.11 O +ATOM 133 CB PRO A 23 -12.313 2.572 -12.442 1.00 95.78 C +ATOM 134 CG PRO A 23 -12.215 1.176 -11.941 1.00 94.35 C +ATOM 135 CD PRO A 23 -11.305 1.253 -10.741 1.00 96.06 C +HETATM 136 N HYP A 24 -14.374 4.690 -11.209 1.00 97.05 N +HETATM 137 CA HYP A 24 -15.724 5.037 -10.881 1.00 95.47 C +HETATM 138 C HYP A 24 -16.672 3.874 -11.201 1.00 97.28 C +HETATM 139 O HYP A 24 -16.424 3.135 -12.166 1.00 96.27 O +HETATM 140 CB HYP A 24 -16.033 6.239 -11.718 1.00 95.76 C +HETATM 141 CG HYP A 24 -14.687 6.859 -11.976 1.00 93.69 C +HETATM 142 CD HYP A 24 -13.781 5.668 -12.079 1.00 95.55 C +HETATM 143 OD1 HYP A 24 -14.288 7.658 -10.901 1.00 94.11 O +ATOM 144 N GLY A 25 -17.667 3.703 -10.398 1.00 96.81 N +ATOM 145 CA GLY A 25 -18.647 2.681 -10.665 1.00 96.65 C +ATOM 146 C GLY A 25 -19.469 3.034 -11.890 1.00 97.03 C +ATOM 147 O GLY A 25 -19.393 4.149 -12.409 1.00 97.27 O +ATOM 148 N PRO A 26 -20.273 2.085 -12.373 1.00 96.84 N +ATOM 149 CA PRO A 26 -21.099 2.334 -13.552 1.00 96.56 C +ATOM 150 C PRO A 26 -22.199 3.339 -13.251 1.00 96.71 C +ATOM 151 O PRO A 26 -22.603 3.517 -12.107 1.00 96.46 O +ATOM 152 CB PRO A 26 -21.654 0.955 -13.882 1.00 95.11 C +ATOM 153 CG PRO A 26 -21.681 0.258 -12.572 1.00 93.83 C +ATOM 154 CD PRO A 26 -20.446 0.727 -11.856 1.00 95.82 C +HETATM 155 N HYP A 27 -22.725 3.977 -14.258 1.00 97.07 N +HETATM 156 CA HYP A 27 -23.814 4.915 -14.115 1.00 96.16 C +HETATM 157 C HYP A 27 -25.046 4.233 -13.507 1.00 97.15 C +HETATM 158 O HYP A 27 -25.286 3.056 -13.765 1.00 96.38 O +HETATM 159 CB HYP A 27 -24.115 5.384 -15.532 1.00 95.04 C +HETATM 160 CG HYP A 27 -22.844 5.177 -16.286 1.00 93.01 C +HETATM 161 CD HYP A 27 -22.254 3.950 -15.637 1.00 95.63 C +HETATM 162 OD1 HYP A 27 -21.961 6.269 -16.080 1.00 92.83 O +ATOM 163 N GLY A 28 -25.778 4.970 -12.720 1.00 95.22 N +ATOM 164 CA GLY A 28 -26.986 4.448 -12.157 1.00 94.65 C +ATOM 165 C GLY A 28 -28.032 4.233 -13.233 1.00 95.22 C +ATOM 166 O GLY A 28 -27.871 4.682 -14.372 1.00 95.41 O +ATOM 167 N PRO A 29 -29.134 3.565 -12.890 1.00 95.11 N +ATOM 168 CA PRO A 29 -30.183 3.305 -13.873 1.00 94.56 C +ATOM 169 C PRO A 29 -30.901 4.591 -14.262 1.00 94.70 C +ATOM 170 O PRO A 29 -30.909 5.569 -13.524 1.00 94.08 O +ATOM 171 CB PRO A 29 -31.103 2.324 -13.147 1.00 92.46 C +ATOM 172 CG PRO A 29 -30.885 2.628 -11.703 1.00 91.29 C +ATOM 173 CD PRO A 29 -29.428 2.967 -11.590 1.00 93.83 C +HETATM 174 N HYP A 30 -31.543 4.611 -15.397 1.00 95.29 N +HETATM 175 CA HYP A 30 -32.283 5.760 -15.884 1.00 93.15 C +HETATM 176 C HYP A 30 -33.441 6.113 -14.929 1.00 95.47 C +HETATM 177 O HYP A 30 -34.022 5.228 -14.315 1.00 93.92 O +HETATM 178 CB HYP A 30 -32.870 5.318 -17.228 1.00 92.24 C +HETATM 179 CG HYP A 30 -31.958 4.230 -17.713 1.00 89.22 C +HETATM 180 CD HYP A 30 -31.498 3.566 -16.420 1.00 92.68 C +HETATM 181 OD1 HYP A 30 -30.808 4.769 -18.354 1.00 88.93 O +ATOM 182 N GLY A 31 -33.720 7.384 -14.804 1.00 90.13 N +ATOM 183 CA GLY A 31 -34.826 7.820 -13.997 1.00 89.07 C +ATOM 184 C GLY A 31 -36.141 7.401 -14.625 1.00 90.03 C +ATOM 185 O GLY A 31 -36.178 6.957 -15.778 1.00 89.10 O +ATOM 186 N PRO A 32 -37.264 7.569 -13.898 1.00 92.10 N +ATOM 187 CA PRO A 32 -38.561 7.187 -14.436 1.00 91.95 C +ATOM 188 C PRO A 32 -38.979 8.113 -15.559 1.00 91.90 C +ATOM 189 O PRO A 32 -38.544 9.262 -15.627 1.00 89.23 O +ATOM 190 CB PRO A 32 -39.490 7.290 -13.231 1.00 88.17 C +ATOM 191 CG PRO A 32 -38.836 8.316 -12.372 1.00 85.85 C +ATOM 192 CD PRO A 32 -37.358 8.084 -12.538 1.00 88.92 C +HETATM 193 N HYP A 33 -39.877 7.664 -16.410 1.00 92.85 N +HETATM 194 CA HYP A 33 -40.276 8.516 -17.542 1.00 88.22 C +HETATM 195 C HYP A 33 -40.942 9.808 -17.091 1.00 84.27 C +HETATM 196 O HYP A 33 -41.621 9.791 -16.053 1.00 86.71 O +HETATM 197 CB HYP A 33 -41.307 7.654 -18.324 1.00 86.63 C +HETATM 198 CG HYP A 33 -41.145 6.236 -17.827 1.00 83.68 C +HETATM 199 CD HYP A 33 -40.552 6.362 -16.429 1.00 89.14 C +HETATM 200 OD1 HYP A 33 -40.194 5.585 -18.648 1.00 81.78 O +HETATM 201 OXT HYP A 33 -40.741 10.798 -17.825 1.00 83.63 O +TER 202 HYP A 33 +END diff --git a/protein_pdb_163.txt b/protein_pdb_163.txt new file mode 100644 index 0000000000000000000000000000000000000000..e78301b09375eb0770b9564f96f666552ada23f5 --- /dev/null +++ b/protein_pdb_163.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 3.428 -3.926 -14.298 1.00 92.80 N +ATOM 2 CA GLY A 1 3.533 -2.551 -13.887 1.00 92.93 C +ATOM 3 C GLY A 1 4.278 -2.399 -12.582 1.00 93.02 C +ATOM 4 O GLY A 1 4.572 -3.382 -11.904 1.00 91.49 O +ATOM 5 N PRO A 2 4.545 -1.230 -12.229 1.00 92.02 N +ATOM 6 CA PRO A 2 5.251 -0.973 -10.989 1.00 91.88 C +ATOM 7 C PRO A 2 4.372 -1.213 -9.771 1.00 92.04 C +ATOM 8 O PRO A 2 3.154 -1.308 -9.873 1.00 90.68 O +ATOM 9 CB PRO A 2 5.635 0.500 -11.112 1.00 88.76 C +ATOM 10 CG PRO A 2 4.575 1.076 -11.974 1.00 85.38 C +ATOM 11 CD PRO A 2 4.232 -0.000 -12.957 1.00 88.15 C +HETATM 12 N HYP A 3 5.032 -1.322 -8.628 1.00 90.96 N +HETATM 13 CA HYP A 3 4.279 -1.452 -7.387 1.00 91.85 C +HETATM 14 C HYP A 3 3.390 -0.248 -7.144 1.00 93.98 C +HETATM 15 O HYP A 3 3.717 0.865 -7.597 1.00 94.60 O +HETATM 16 CB HYP A 3 5.434 -1.458 -6.307 1.00 91.99 C +HETATM 17 CG HYP A 3 6.604 -2.055 -7.046 1.00 88.31 C +HETATM 18 CD HYP A 3 6.456 -1.430 -8.455 1.00 91.36 C +HETATM 19 OD1 HYP A 3 6.424 -3.433 -7.123 1.00 90.38 O +ATOM 20 N GLY A 4 2.266 -0.518 -6.540 1.00 93.52 N +ATOM 21 CA GLY A 4 1.356 0.542 -6.212 1.00 92.79 C +ATOM 22 C GLY A 4 1.926 1.475 -5.161 1.00 92.71 C +ATOM 23 O GLY A 4 2.962 1.200 -4.557 1.00 92.97 O +ATOM 24 N PRO A 5 1.248 2.589 -4.927 1.00 93.82 N +ATOM 25 CA PRO A 5 1.710 3.551 -3.944 1.00 92.88 C +ATOM 26 C PRO A 5 1.493 3.048 -2.531 1.00 92.63 C +ATOM 27 O PRO A 5 0.738 2.107 -2.296 1.00 91.92 O +ATOM 28 CB PRO A 5 0.856 4.780 -4.231 1.00 91.09 C +ATOM 29 CG PRO A 5 -0.412 4.209 -4.757 1.00 89.20 C +ATOM 30 CD PRO A 5 -0.005 3.011 -5.560 1.00 91.65 C +HETATM 31 N HYP A 6 2.180 3.698 -1.589 1.00 93.68 N +HETATM 32 CA HYP A 6 1.967 3.371 -0.203 1.00 95.15 C +HETATM 33 C HYP A 6 0.540 3.589 0.220 1.00 94.88 C +HETATM 34 O HYP A 6 -0.157 4.505 -0.290 1.00 94.14 O +HETATM 35 CB HYP A 6 2.888 4.407 0.516 1.00 91.76 C +HETATM 36 CG HYP A 6 3.966 4.682 -0.498 1.00 89.55 C +HETATM 37 CD HYP A 6 3.189 4.707 -1.805 1.00 92.15 C +HETATM 38 OD1 HYP A 6 4.877 3.606 -0.523 1.00 90.74 O +ATOM 39 N GLY A 7 0.087 2.700 1.062 1.00 92.81 N +ATOM 40 CA GLY A 7 -1.244 2.831 1.581 1.00 91.76 C +ATOM 41 C GLY A 7 -1.383 4.041 2.479 1.00 92.23 C +ATOM 42 O GLY A 7 -0.408 4.712 2.806 1.00 92.23 O +ATOM 43 N PRO A 8 -2.601 4.331 2.881 1.00 94.11 N +ATOM 44 CA PRO A 8 -2.838 5.456 3.764 1.00 93.65 C +ATOM 45 C PRO A 8 -2.372 5.158 5.178 1.00 93.81 C +ATOM 46 O PRO A 8 -2.110 4.013 5.533 1.00 92.95 O +ATOM 47 CB PRO A 8 -4.348 5.625 3.712 1.00 91.90 C +ATOM 48 CG PRO A 8 -4.842 4.244 3.485 1.00 90.70 C +ATOM 49 CD PRO A 8 -3.826 3.604 2.576 1.00 92.59 C +HETATM 50 N HYP A 9 -2.258 6.233 5.988 1.00 92.85 N +HETATM 51 CA HYP A 9 -1.962 6.040 7.353 1.00 93.57 C +HETATM 52 C HYP A 9 -2.997 5.187 8.058 1.00 93.47 C +HETATM 53 O HYP A 9 -4.186 5.242 7.704 1.00 93.43 O +HETATM 54 CB HYP A 9 -1.975 7.489 7.927 1.00 90.40 C +HETATM 55 CG HYP A 9 -1.630 8.350 6.761 1.00 88.74 C +HETATM 56 CD HYP A 9 -2.308 7.677 5.617 1.00 92.48 C +HETATM 57 OD1 HYP A 9 -0.232 8.314 6.564 1.00 87.83 O +ATOM 58 N GLY A 10 -2.588 4.370 8.965 1.00 93.21 N +ATOM 59 CA GLY A 10 -3.529 3.641 9.781 1.00 90.87 C +ATOM 60 C GLY A 10 -4.296 4.594 10.672 1.00 90.97 C +ATOM 61 O GLY A 10 -4.175 5.816 10.562 1.00 89.59 O +ATOM 62 N ARG A 11 -5.086 4.025 11.562 1.00 91.65 N +ATOM 63 CA ARG A 11 -5.797 4.875 12.510 1.00 91.74 C +ATOM 64 C ARG A 11 -4.827 5.805 13.218 1.00 91.78 C +ATOM 65 O ARG A 11 -5.115 6.989 13.404 1.00 89.67 O +ATOM 66 CB ARG A 11 -6.547 4.010 13.521 1.00 89.45 C +ATOM 67 CG ARG A 11 -7.717 3.271 12.908 1.00 84.71 C +ATOM 68 CD ARG A 11 -8.273 2.229 13.853 1.00 80.19 C +ATOM 69 NE ARG A 11 -8.762 2.830 15.090 1.00 77.11 N +ATOM 70 CZ ARG A 11 -8.532 2.360 16.312 1.00 72.54 C +ATOM 71 NH1 ARG A 11 -7.806 1.268 16.486 1.00 71.11 N +ATOM 72 NH2 ARG A 11 -9.020 2.989 17.352 1.00 68.65 N +ATOM 73 N ILE A 12 -3.676 5.254 13.581 1.00 93.34 N +ATOM 74 CA ILE A 12 -2.519 5.997 14.057 1.00 94.19 C +ATOM 75 C ILE A 12 -1.309 5.213 13.578 1.00 94.36 C +ATOM 76 O ILE A 12 -1.155 4.051 13.948 1.00 90.18 O +ATOM 77 CB ILE A 12 -2.473 6.124 15.593 1.00 92.58 C +ATOM 78 CG1 ILE A 12 -3.700 6.868 16.123 1.00 87.69 C +ATOM 79 CG2 ILE A 12 -1.192 6.835 16.024 1.00 84.69 C +ATOM 80 CD1 ILE A 12 -3.758 6.941 17.629 1.00 78.85 C +ATOM 81 N GLY A 13 -0.481 5.807 12.750 1.00 95.11 N +ATOM 82 CA GLY A 13 0.701 5.095 12.312 1.00 94.79 C +ATOM 83 C GLY A 13 1.114 5.452 10.908 1.00 95.13 C +ATOM 84 O GLY A 13 0.512 6.316 10.271 1.00 94.66 O +ATOM 85 N PRO A 14 2.155 4.799 10.428 1.00 94.84 N +ATOM 86 CA PRO A 14 2.717 5.105 9.127 1.00 94.78 C +ATOM 87 C PRO A 14 1.850 4.605 7.987 1.00 94.90 C +ATOM 88 O PRO A 14 0.917 3.835 8.182 1.00 93.89 O +ATOM 89 CB PRO A 14 4.057 4.368 9.145 1.00 93.16 C +ATOM 90 CG PRO A 14 3.798 3.201 10.022 1.00 91.88 C +ATOM 91 CD PRO A 14 2.873 3.712 11.084 1.00 93.10 C +HETATM 92 N HYP A 15 2.217 5.093 6.816 1.00 93.88 N +HETATM 93 CA HYP A 15 1.590 4.576 5.615 1.00 94.57 C +HETATM 94 C HYP A 15 1.728 3.106 5.461 1.00 95.48 C +HETATM 95 O HYP A 15 2.724 2.530 5.967 1.00 94.46 O +HETATM 96 CB HYP A 15 2.338 5.361 4.511 1.00 92.64 C +HETATM 97 CG HYP A 15 2.796 6.634 5.207 1.00 91.21 C +HETATM 98 CD HYP A 15 3.177 6.142 6.586 1.00 93.49 C +HETATM 99 OD1 HYP A 15 1.737 7.540 5.285 1.00 91.23 O +ATOM 100 N GLY A 16 0.769 2.493 4.841 1.00 95.81 N +ATOM 101 CA GLY A 16 0.850 1.089 4.556 1.00 95.37 C +ATOM 102 C GLY A 16 1.900 0.785 3.513 1.00 95.50 C +ATOM 103 O GLY A 16 2.502 1.690 2.928 1.00 95.33 O +ATOM 104 N PRO A 17 2.137 -0.502 3.274 1.00 94.51 N +ATOM 105 CA PRO A 17 3.140 -0.901 2.306 1.00 93.78 C +ATOM 106 C PRO A 17 2.691 -0.627 0.883 1.00 94.11 C +ATOM 107 O PRO A 17 1.510 -0.421 0.614 1.00 93.45 O +ATOM 108 CB PRO A 17 3.296 -2.398 2.557 1.00 92.47 C +ATOM 109 CG PRO A 17 1.957 -2.807 3.062 1.00 90.89 C +ATOM 110 CD PRO A 17 1.467 -1.645 3.878 1.00 92.44 C +HETATM 111 N HYP A 18 3.661 -0.617 -0.027 1.00 91.27 N +HETATM 112 CA HYP A 18 3.355 -0.512 -1.408 1.00 92.25 C +HETATM 113 C HYP A 18 2.443 -1.612 -1.887 1.00 93.38 C +HETATM 114 O HYP A 18 2.473 -2.750 -1.362 1.00 92.28 O +HETATM 115 CB HYP A 18 4.755 -0.657 -2.076 1.00 90.29 C +HETATM 116 CG HYP A 18 5.706 -0.160 -1.026 1.00 88.94 C +HETATM 117 CD HYP A 18 5.082 -0.684 0.245 1.00 91.83 C +HETATM 118 OD1 HYP A 18 5.690 1.274 -0.997 1.00 90.23 O +ATOM 119 N GLY A 19 1.610 -1.287 -2.824 1.00 90.42 N +ATOM 120 CA GLY A 19 0.759 -2.270 -3.433 1.00 90.15 C +ATOM 121 C GLY A 19 1.559 -3.243 -4.277 1.00 90.22 C +ATOM 122 O GLY A 19 2.748 -3.056 -4.519 1.00 90.91 O +ATOM 123 N PRO A 20 0.901 -4.299 -4.723 1.00 88.80 N +ATOM 124 CA PRO A 20 1.574 -5.293 -5.542 1.00 87.99 C +ATOM 125 C PRO A 20 1.869 -4.759 -6.931 1.00 88.02 C +ATOM 126 O PRO A 20 1.305 -3.758 -7.358 1.00 89.31 O +ATOM 127 CB PRO A 20 0.567 -6.443 -5.586 1.00 85.96 C +ATOM 128 CG PRO A 20 -0.746 -5.764 -5.446 1.00 83.35 C +ATOM 129 CD PRO A 20 -0.510 -4.611 -4.517 1.00 85.29 C +HETATM 130 N HYP A 21 2.787 -5.454 -7.599 1.00 90.05 N +HETATM 131 CA HYP A 21 3.053 -5.108 -8.972 1.00 90.08 C +HETATM 132 C HYP A 21 1.835 -5.137 -9.858 1.00 91.29 C +HETATM 133 O HYP A 21 0.954 -5.988 -9.648 1.00 93.92 O +HETATM 134 CB HYP A 21 4.073 -6.169 -9.432 1.00 89.65 C +HETATM 135 CG HYP A 21 4.761 -6.611 -8.175 1.00 86.20 C +HETATM 136 CD HYP A 21 3.661 -6.558 -7.146 1.00 91.71 C +HETATM 137 OD1 HYP A 21 5.744 -5.632 -7.810 1.00 88.06 O +ATOM 138 N GLY A 22 1.705 -4.164 -10.716 1.00 89.62 N +ATOM 139 CA GLY A 22 0.632 -4.138 -11.663 1.00 87.35 C +ATOM 140 C GLY A 22 0.838 -5.193 -12.742 1.00 86.80 C +ATOM 141 O GLY A 22 1.839 -5.905 -12.752 1.00 86.87 O +ATOM 142 N PRO A 23 -0.111 -5.301 -13.667 1.00 92.54 N +ATOM 143 CA PRO A 23 0.019 -6.277 -14.739 1.00 91.95 C +ATOM 144 C PRO A 23 1.162 -5.895 -15.662 1.00 90.64 C +ATOM 145 O PRO A 23 1.258 -4.753 -16.096 1.00 87.85 O +ATOM 146 CB PRO A 23 -1.330 -6.212 -15.444 1.00 89.32 C +ATOM 147 CG PRO A 23 -1.821 -4.842 -15.159 1.00 86.27 C +ATOM 148 CD PRO A 23 -1.314 -4.506 -13.782 1.00 89.59 C +HETATM 149 N HYP A 24 2.014 -6.740 -15.942 1.00 94.05 N +HETATM 150 CA HYP A 24 3.317 -6.399 -16.599 1.00 88.04 C +HETATM 151 C HYP A 24 3.826 -5.085 -16.309 1.00 91.78 C +HETATM 152 O HYP A 24 5.081 -4.882 -16.159 1.00 91.19 O +HETATM 153 CB HYP A 24 3.497 -7.233 -17.711 1.00 89.77 C +HETATM 154 CG HYP A 24 2.399 -8.293 -17.635 1.00 88.04 C +HETATM 155 CD HYP A 24 1.427 -7.880 -16.519 1.00 92.23 C +HETATM 156 OD1 HYP A 24 2.933 -9.539 -17.237 1.00 88.13 O +HETATM 157 OXT HYP A 24 3.137 -4.068 -16.584 1.00 89.13 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_164.txt b/protein_pdb_164.txt new file mode 100644 index 0000000000000000000000000000000000000000..55505d80729e3faa7966410d2234a4e02a7af329 --- /dev/null +++ b/protein_pdb_164.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 13.623 -3.805 2.371 1.00 86.50 N +ATOM 2 CA GLY A 1 13.190 -3.234 1.120 1.00 87.92 C +ATOM 3 C GLY A 1 12.283 -2.046 1.337 1.00 89.04 C +ATOM 4 O GLY A 1 11.952 -1.699 2.470 1.00 87.17 O +ATOM 5 N PRO A 2 11.758 -1.363 0.237 1.00 87.82 N +ATOM 6 CA PRO A 2 10.892 -0.202 0.346 1.00 89.18 C +ATOM 7 C PRO A 2 9.480 -0.589 0.754 1.00 89.50 C +ATOM 8 O PRO A 2 9.093 -1.745 0.679 1.00 86.92 O +ATOM 9 CB PRO A 2 10.916 0.379 -1.070 1.00 86.37 C +ATOM 10 CG PRO A 2 11.148 -0.802 -1.934 1.00 83.36 C +ATOM 11 CD PRO A 2 12.056 -1.712 -1.155 1.00 84.72 C +HETATM 12 N HYP A 3 8.735 0.437 1.188 1.00 87.57 N +HETATM 13 CA HYP A 3 7.327 0.190 1.485 1.00 89.16 C +HETATM 14 C HYP A 3 6.600 -0.298 0.263 1.00 90.58 C +HETATM 15 O HYP A 3 6.933 0.092 -0.877 1.00 90.51 O +HETATM 16 CB HYP A 3 6.817 1.626 1.872 1.00 88.12 C +HETATM 17 CG HYP A 3 8.046 2.341 2.400 1.00 84.74 C +HETATM 18 CD HYP A 3 9.163 1.805 1.467 1.00 88.09 C +HETATM 19 OD1 HYP A 3 8.286 1.903 3.708 1.00 85.70 O +ATOM 20 N GLY A 4 5.685 -1.216 0.494 1.00 92.52 N +ATOM 21 CA GLY A 4 4.865 -1.692 -0.586 1.00 92.17 C +ATOM 22 C GLY A 4 3.955 -0.605 -1.111 1.00 92.64 C +ATOM 23 O GLY A 4 3.774 0.444 -0.489 1.00 92.29 O +ATOM 24 N PRO A 5 3.375 -0.842 -2.275 1.00 90.84 N +ATOM 25 CA PRO A 5 2.475 0.144 -2.852 1.00 90.59 C +ATOM 26 C PRO A 5 1.171 0.218 -2.081 1.00 90.20 C +ATOM 27 O PRO A 5 0.822 -0.683 -1.327 1.00 88.95 O +ATOM 28 CB PRO A 5 2.254 -0.380 -4.271 1.00 89.39 C +ATOM 29 CG PRO A 5 2.423 -1.849 -4.133 1.00 87.69 C +ATOM 30 CD PRO A 5 3.489 -2.043 -3.096 1.00 89.21 C +HETATM 31 N HYP A 6 0.456 1.341 -2.290 1.00 88.78 N +HETATM 32 CA HYP A 6 -0.842 1.438 -1.700 1.00 89.96 C +HETATM 33 C HYP A 6 -1.749 0.339 -2.177 1.00 92.05 C +HETATM 34 O HYP A 6 -1.633 -0.130 -3.326 1.00 91.00 O +HETATM 35 CB HYP A 6 -1.343 2.822 -2.215 1.00 86.23 C +HETATM 36 CG HYP A 6 -0.091 3.612 -2.440 1.00 85.39 C +HETATM 37 CD HYP A 6 0.867 2.548 -2.995 1.00 88.54 C +HETATM 38 OD1 HYP A 6 0.395 4.062 -1.196 1.00 85.44 O +ATOM 39 N GLY A 7 -2.581 -0.123 -1.297 1.00 92.12 N +ATOM 40 CA GLY A 7 -3.556 -1.112 -1.665 1.00 91.66 C +ATOM 41 C GLY A 7 -4.532 -0.576 -2.685 1.00 91.93 C +ATOM 42 O GLY A 7 -4.617 0.631 -2.922 1.00 91.54 O +ATOM 43 N PRO A 8 -5.261 -1.468 -3.299 1.00 90.94 N +ATOM 44 CA PRO A 8 -6.221 -1.038 -4.299 1.00 90.67 C +ATOM 45 C PRO A 8 -7.409 -0.338 -3.662 1.00 90.83 C +ATOM 46 O PRO A 8 -7.675 -0.483 -2.477 1.00 89.09 O +ATOM 47 CB PRO A 8 -6.643 -2.346 -4.965 1.00 88.96 C +ATOM 48 CG PRO A 8 -6.471 -3.360 -3.891 1.00 87.61 C +ATOM 49 CD PRO A 8 -5.271 -2.909 -3.101 1.00 89.23 C +HETATM 50 N HYP A 9 -8.134 0.436 -4.494 1.00 87.07 N +HETATM 51 CA HYP A 9 -9.307 1.048 -4.019 1.00 90.29 C +HETATM 52 C HYP A 9 -10.335 0.034 -3.626 1.00 90.55 C +HETATM 53 O HYP A 9 -10.483 -0.994 -4.283 1.00 90.62 O +HETATM 54 CB HYP A 9 -9.813 1.831 -5.260 1.00 85.95 C +HETATM 55 CG HYP A 9 -8.624 2.056 -6.103 1.00 82.08 C +HETATM 56 CD HYP A 9 -7.781 0.831 -5.877 1.00 87.16 C +HETATM 57 OD1 HYP A 9 -7.915 3.169 -5.600 1.00 83.61 O +ATOM 58 N GLY A 10 -10.992 0.217 -2.524 1.00 90.94 N +ATOM 59 CA GLY A 10 -12.104 -0.614 -2.135 1.00 89.08 C +ATOM 60 C GLY A 10 -13.301 -0.333 -3.016 1.00 89.40 C +ATOM 61 O GLY A 10 -13.256 0.511 -3.908 1.00 88.44 O +ATOM 62 N PRO A 11 -14.405 -1.022 -2.746 1.00 87.49 N +ATOM 63 CA PRO A 11 -15.596 -0.796 -3.566 1.00 88.64 C +ATOM 64 C PRO A 11 -16.014 0.666 -3.646 1.00 89.29 C +ATOM 65 O PRO A 11 -16.540 1.102 -4.672 1.00 87.04 O +ATOM 66 CB PRO A 11 -16.660 -1.644 -2.874 1.00 87.14 C +ATOM 67 CG PRO A 11 -15.874 -2.727 -2.223 1.00 85.94 C +ATOM 68 CD PRO A 11 -14.595 -2.080 -1.769 1.00 85.29 C +ATOM 69 N SER A 12 -15.775 1.405 -2.590 1.00 90.94 N +ATOM 70 CA SER A 12 -16.018 2.844 -2.582 1.00 91.45 C +ATOM 71 C SER A 12 -15.006 3.569 -1.717 1.00 91.45 C +ATOM 72 O SER A 12 -15.151 4.764 -1.469 1.00 86.80 O +ATOM 73 CB SER A 12 -17.434 3.135 -2.084 1.00 87.92 C +ATOM 74 OG SER A 12 -17.601 2.657 -0.776 1.00 79.67 O +ATOM 75 N GLY A 13 -14.010 2.861 -1.257 1.00 92.23 N +ATOM 76 CA GLY A 13 -13.089 3.391 -0.287 1.00 90.71 C +ATOM 77 C GLY A 13 -11.766 3.809 -0.876 1.00 91.95 C +ATOM 78 O GLY A 13 -11.479 3.563 -2.051 1.00 91.94 O +ATOM 79 N PRO A 14 -10.949 4.453 -0.067 1.00 91.42 N +ATOM 80 CA PRO A 14 -9.648 4.912 -0.516 1.00 91.15 C +ATOM 81 C PRO A 14 -8.672 3.757 -0.671 1.00 91.34 C +ATOM 82 O PRO A 14 -8.916 2.648 -0.204 1.00 89.75 O +ATOM 83 CB PRO A 14 -9.210 5.854 0.605 1.00 90.00 C +ATOM 84 CG PRO A 14 -9.852 5.282 1.822 1.00 88.38 C +ATOM 85 CD PRO A 14 -11.178 4.746 1.357 1.00 89.09 C +HETATM 86 N HYP A 15 -7.557 4.101 -1.312 1.00 91.37 N +HETATM 87 CA HYP A 15 -6.514 3.115 -1.401 1.00 91.28 C +HETATM 88 C HYP A 15 -6.058 2.699 -0.031 1.00 93.17 C +HETATM 89 O HYP A 15 -6.119 3.509 0.921 1.00 91.13 O +HETATM 90 CB HYP A 15 -5.405 3.915 -2.112 1.00 88.62 C +HETATM 91 CG HYP A 15 -6.140 4.947 -2.947 1.00 86.40 C +HETATM 92 CD HYP A 15 -7.282 5.349 -2.023 1.00 89.79 C +HETATM 93 OD1 HYP A 15 -6.646 4.348 -4.102 1.00 87.23 O +ATOM 94 N GLY A 16 -5.653 1.465 0.075 1.00 92.91 N +ATOM 95 CA GLY A 16 -5.081 0.995 1.311 1.00 92.86 C +ATOM 96 C GLY A 16 -3.751 1.658 1.590 1.00 93.32 C +ATOM 97 O GLY A 16 -3.162 2.308 0.719 1.00 92.78 O +ATOM 98 N PRO A 17 -3.273 1.501 2.802 1.00 90.90 N +ATOM 99 CA PRO A 17 -1.994 2.081 3.160 1.00 90.58 C +ATOM 100 C PRO A 17 -0.846 1.366 2.466 1.00 90.83 C +ATOM 101 O PRO A 17 -0.998 0.249 1.980 1.00 89.12 O +ATOM 102 CB PRO A 17 -1.933 1.895 4.673 1.00 89.36 C +ATOM 103 CG PRO A 17 -2.768 0.683 4.910 1.00 87.38 C +ATOM 104 CD PRO A 17 -3.869 0.747 3.900 1.00 88.42 C +HETATM 105 N HYP A 18 0.317 2.047 2.435 1.00 88.46 N +HETATM 106 CA HYP A 18 1.463 1.382 1.935 1.00 88.59 C +HETATM 107 C HYP A 18 1.759 0.133 2.692 1.00 91.16 C +HETATM 108 O HYP A 18 1.497 0.056 3.899 1.00 89.54 O +HETATM 109 CB HYP A 18 2.577 2.436 2.161 1.00 86.86 C +HETATM 110 CG HYP A 18 1.862 3.755 2.116 1.00 85.58 C +HETATM 111 CD HYP A 18 0.548 3.424 2.809 1.00 88.91 C +HETATM 112 OD1 HYP A 18 1.604 4.099 0.761 1.00 85.91 O +ATOM 113 N GLY A 19 2.224 -0.864 1.976 1.00 87.61 N +ATOM 114 CA GLY A 19 2.645 -2.078 2.607 1.00 87.27 C +ATOM 115 C GLY A 19 3.850 -1.850 3.496 1.00 87.63 C +ATOM 116 O GLY A 19 4.498 -0.804 3.444 1.00 88.07 O +ATOM 117 N PRO A 20 4.156 -2.828 4.315 1.00 83.91 N +ATOM 118 CA PRO A 20 5.304 -2.694 5.192 1.00 84.08 C +ATOM 119 C PRO A 20 6.605 -2.774 4.414 1.00 83.53 C +ATOM 120 O PRO A 20 6.637 -3.226 3.271 1.00 83.93 O +ATOM 121 CB PRO A 20 5.150 -3.884 6.140 1.00 82.36 C +ATOM 122 CG PRO A 20 4.418 -4.890 5.329 1.00 79.42 C +ATOM 123 CD PRO A 20 3.477 -4.111 4.455 1.00 80.18 C +HETATM 124 N HYP A 21 7.665 -2.303 5.062 1.00 87.88 N +HETATM 125 CA HYP A 21 8.952 -2.466 4.454 1.00 88.75 C +HETATM 126 C HYP A 21 9.287 -3.892 4.138 1.00 89.19 C +HETATM 127 O HYP A 21 8.830 -4.775 4.844 1.00 91.25 O +HETATM 128 CB HYP A 21 9.911 -1.884 5.502 1.00 86.30 C +HETATM 129 CG HYP A 21 9.071 -0.889 6.273 1.00 82.30 C +HETATM 130 CD HYP A 21 7.721 -1.573 6.321 1.00 88.13 C +HETATM 131 OD1 HYP A 21 8.927 0.311 5.515 1.00 81.67 O +ATOM 132 N GLY A 22 9.947 -4.116 3.048 1.00 87.74 N +ATOM 133 CA GLY A 22 10.380 -5.438 2.693 1.00 85.66 C +ATOM 134 C GLY A 22 11.399 -5.970 3.688 1.00 85.44 C +ATOM 135 O GLY A 22 11.787 -5.287 4.636 1.00 84.94 O +ATOM 136 N PRO A 23 11.855 -7.193 3.474 1.00 90.34 N +ATOM 137 CA PRO A 23 12.851 -7.757 4.376 1.00 90.26 C +ATOM 138 C PRO A 23 14.141 -6.962 4.323 1.00 88.74 C +ATOM 139 O PRO A 23 14.417 -6.255 3.357 1.00 85.35 O +ATOM 140 CB PRO A 23 13.032 -9.182 3.866 1.00 87.64 C +ATOM 141 CG PRO A 23 12.529 -9.167 2.486 1.00 85.15 C +ATOM 142 CD PRO A 23 11.508 -8.084 2.390 1.00 87.04 C +HETATM 143 N HYP A 24 14.880 -6.989 5.290 1.00 89.56 N +HETATM 144 CA HYP A 24 16.116 -6.232 5.287 1.00 84.43 C +HETATM 145 C HYP A 24 16.539 -5.836 3.940 1.00 86.96 C +HETATM 146 O HYP A 24 17.629 -6.062 3.501 1.00 85.40 O +HETATM 147 CB HYP A 24 16.996 -6.916 6.195 1.00 86.55 C +HETATM 148 CG HYP A 24 16.099 -7.680 7.154 1.00 84.60 C +HETATM 149 CD HYP A 24 14.856 -7.961 6.332 1.00 88.42 C +HETATM 150 OD1 HYP A 24 15.708 -6.862 8.253 1.00 84.40 O +HETATM 151 OXT HYP A 24 15.770 -5.146 3.274 1.00 81.03 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_165.txt b/protein_pdb_165.txt new file mode 100644 index 0000000000000000000000000000000000000000..dfbfd190d6090d92d75e7925ec1b819f875d0400 --- /dev/null +++ b/protein_pdb_165.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -5.192 6.740 0.018 1.00 72.64 N +ATOM 2 CA GLY A 1 -3.878 6.373 -0.476 1.00 76.71 C +ATOM 3 C GLY A 1 -3.935 5.119 -1.318 1.00 78.40 C +ATOM 4 O GLY A 1 -4.994 4.497 -1.447 1.00 74.11 O +ATOM 5 N PRO A 2 -2.798 4.717 -1.889 1.00 77.74 N +ATOM 6 CA PRO A 2 -2.756 3.525 -2.718 1.00 81.65 C +ATOM 7 C PRO A 2 -2.863 2.264 -1.876 1.00 81.93 C +ATOM 8 O PRO A 2 -2.635 2.285 -0.671 1.00 79.23 O +ATOM 9 CB PRO A 2 -1.385 3.621 -3.396 1.00 78.52 C +ATOM 10 CG PRO A 2 -0.556 4.354 -2.405 1.00 75.51 C +ATOM 11 CD PRO A 2 -1.481 5.358 -1.775 1.00 75.34 C +HETATM 12 N HYP A 3 -3.213 1.160 -2.502 1.00 76.45 N +HETATM 13 CA HYP A 3 -3.257 -0.088 -1.840 1.00 77.48 C +HETATM 14 C HYP A 3 -1.878 -0.454 -1.250 1.00 77.48 C +HETATM 15 O HYP A 3 -0.822 -0.095 -1.805 1.00 80.17 O +HETATM 16 CB HYP A 3 -3.645 -1.037 -2.981 1.00 80.30 C +HETATM 17 CG HYP A 3 -4.479 -0.191 -3.856 1.00 77.54 C +HETATM 18 CD HYP A 3 -3.718 1.102 -3.850 1.00 78.78 C +HETATM 19 OD1 HYP A 3 -5.756 0.027 -3.324 1.00 80.28 O +ATOM 20 N GLY A 4 -1.924 -1.056 -0.108 1.00 84.81 N +ATOM 21 CA GLY A 4 -0.710 -1.470 0.541 1.00 83.77 C +ATOM 22 C GLY A 4 -0.020 -2.570 -0.244 1.00 82.60 C +ATOM 23 O GLY A 4 -0.566 -3.094 -1.218 1.00 81.04 O +ATOM 24 N PRO A 5 1.176 -2.913 0.181 1.00 84.44 N +ATOM 25 CA PRO A 5 1.904 -3.969 -0.511 1.00 82.69 C +ATOM 26 C PRO A 5 1.252 -5.321 -0.266 1.00 82.80 C +ATOM 27 O PRO A 5 0.524 -5.508 0.703 1.00 80.36 O +ATOM 28 CB PRO A 5 3.295 -3.898 0.108 1.00 79.65 C +ATOM 29 CG PRO A 5 3.038 -3.383 1.483 1.00 79.17 C +ATOM 30 CD PRO A 5 1.908 -2.401 1.326 1.00 80.55 C +HETATM 31 N HYP A 6 1.572 -6.286 -1.157 1.00 81.06 N +HETATM 32 CA HYP A 6 1.090 -7.588 -0.930 1.00 82.05 C +HETATM 33 C HYP A 6 1.626 -8.179 0.384 1.00 78.45 C +HETATM 34 O HYP A 6 2.770 -7.910 0.763 1.00 81.11 O +HETATM 35 CB HYP A 6 1.628 -8.393 -2.125 1.00 79.40 C +HETATM 36 CG HYP A 6 1.724 -7.349 -3.193 1.00 79.90 C +HETATM 37 CD HYP A 6 2.192 -6.118 -2.453 1.00 82.27 C +HETATM 38 OD1 HYP A 6 0.477 -7.081 -3.774 1.00 79.26 O +ATOM 39 N GLY A 7 0.754 -8.847 1.097 1.00 80.53 N +ATOM 40 CA GLY A 7 1.145 -9.460 2.335 1.00 77.25 C +ATOM 41 C GLY A 7 2.004 -10.685 2.086 1.00 78.44 C +ATOM 42 O GLY A 7 2.231 -11.083 0.943 1.00 77.80 O +ATOM 43 N PRO A 8 2.460 -11.296 3.148 1.00 78.90 N +ATOM 44 CA PRO A 8 3.212 -12.536 3.005 1.00 79.75 C +ATOM 45 C PRO A 8 2.278 -13.632 2.509 1.00 79.32 C +ATOM 46 O PRO A 8 1.055 -13.502 2.567 1.00 77.94 O +ATOM 47 CB PRO A 8 3.729 -12.808 4.409 1.00 77.61 C +ATOM 48 CG PRO A 8 2.759 -12.111 5.293 1.00 76.96 C +ATOM 49 CD PRO A 8 2.299 -10.899 4.534 1.00 77.69 C +HETATM 50 N HYP A 9 2.898 -14.705 2.015 1.00 76.59 N +HETATM 51 CA HYP A 9 2.103 -15.808 1.595 1.00 77.55 C +HETATM 52 C HYP A 9 1.059 -16.190 2.542 1.00 74.18 C +HETATM 53 O HYP A 9 1.326 -16.226 3.764 1.00 75.75 O +HETATM 54 CB HYP A 9 3.151 -16.887 1.290 1.00 76.60 C +HETATM 55 CG HYP A 9 4.389 -16.092 0.876 1.00 74.31 C +HETATM 56 CD HYP A 9 4.305 -14.877 1.774 1.00 75.80 C +HETATM 57 OD1 HYP A 9 4.330 -15.661 -0.451 1.00 72.23 O +ATOM 58 N GLY A 10 -0.232 -16.306 2.109 1.00 78.10 N +ATOM 59 CA GLY A 10 -1.344 -16.705 2.928 1.00 74.89 C +ATOM 60 C GLY A 10 -2.058 -15.572 3.640 1.00 74.47 C +ATOM 61 O GLY A 10 -3.053 -15.817 4.323 1.00 72.93 O +ATOM 62 N HIS A 11 -1.590 -14.331 3.514 1.00 77.47 N +ATOM 63 CA HIS A 11 -2.208 -13.191 4.189 1.00 79.52 C +ATOM 64 C HIS A 11 -2.303 -12.008 3.236 1.00 78.78 C +ATOM 65 O HIS A 11 -1.305 -11.624 2.634 1.00 75.51 O +ATOM 66 CB HIS A 11 -1.383 -12.749 5.403 1.00 75.34 C +ATOM 67 CG HIS A 11 -0.988 -13.857 6.320 1.00 73.49 C +ATOM 68 ND1 HIS A 11 0.250 -14.454 6.261 1.00 70.71 N +ATOM 69 CD2 HIS A 11 -1.659 -14.469 7.307 1.00 69.22 C +ATOM 70 CE1 HIS A 11 0.307 -15.400 7.188 1.00 71.08 C +ATOM 71 NE2 HIS A 11 -0.831 -15.427 7.840 1.00 71.43 N +ATOM 72 N PRO A 12 -3.480 -11.388 3.107 1.00 74.38 N +ATOM 73 CA PRO A 12 -3.583 -10.179 2.292 1.00 73.83 C +ATOM 74 C PRO A 12 -2.749 -9.063 2.887 1.00 74.32 C +ATOM 75 O PRO A 12 -2.552 -8.999 4.100 1.00 70.04 O +ATOM 76 CB PRO A 12 -5.070 -9.813 2.349 1.00 70.33 C +ATOM 77 CG PRO A 12 -5.763 -11.064 2.758 1.00 68.09 C +ATOM 78 CD PRO A 12 -4.793 -11.780 3.652 1.00 66.84 C +ATOM 79 N GLY A 13 -2.270 -8.180 2.022 1.00 83.47 N +ATOM 80 CA GLY A 13 -1.539 -7.025 2.505 1.00 80.78 C +ATOM 81 C GLY A 13 -2.490 -6.029 3.140 1.00 80.96 C +ATOM 82 O GLY A 13 -3.699 -6.074 2.901 1.00 79.67 O +ATOM 83 N PRO A 14 -1.968 -5.118 3.956 1.00 81.60 N +ATOM 84 CA PRO A 14 -2.818 -4.101 4.567 1.00 81.36 C +ATOM 85 C PRO A 14 -3.129 -3.007 3.559 1.00 81.61 C +ATOM 86 O PRO A 14 -2.443 -2.846 2.558 1.00 79.12 O +ATOM 87 CB PRO A 14 -1.951 -3.567 5.704 1.00 78.45 C +ATOM 88 CG PRO A 14 -0.560 -3.712 5.177 1.00 77.92 C +ATOM 89 CD PRO A 14 -0.576 -4.999 4.392 1.00 77.43 C +HETATM 90 N HYP A 15 -4.159 -2.244 3.838 1.00 80.47 N +HETATM 91 CA HYP A 15 -4.465 -1.086 3.062 1.00 79.77 C +HETATM 92 C HYP A 15 -3.317 -0.090 3.109 1.00 81.88 C +HETATM 93 O HYP A 15 -2.572 -0.052 4.115 1.00 82.21 O +HETATM 94 CB HYP A 15 -5.722 -0.582 3.760 1.00 80.46 C +HETATM 95 CG HYP A 15 -6.344 -1.831 4.263 1.00 80.23 C +HETATM 96 CD HYP A 15 -5.178 -2.630 4.760 1.00 82.53 C +HETATM 97 OD1 HYP A 15 -7.019 -2.536 3.251 1.00 80.87 O +ATOM 98 N GLY A 16 -3.162 0.662 2.072 1.00 86.04 N +ATOM 99 CA GLY A 16 -2.129 1.659 2.052 1.00 84.67 C +ATOM 100 C GLY A 16 -2.436 2.790 3.011 1.00 85.31 C +ATOM 101 O GLY A 16 -3.515 2.850 3.606 1.00 84.24 O +ATOM 102 N PRO A 17 -1.490 3.725 3.160 1.00 78.43 N +ATOM 103 CA PRO A 17 -1.720 4.861 4.042 1.00 78.35 C +ATOM 104 C PRO A 17 -2.761 5.794 3.452 1.00 77.92 C +ATOM 105 O PRO A 17 -3.047 5.754 2.260 1.00 74.81 O +ATOM 106 CB PRO A 17 -0.346 5.522 4.119 1.00 75.82 C +ATOM 107 CG PRO A 17 0.304 5.152 2.837 1.00 76.47 C +ATOM 108 CD PRO A 17 -0.175 3.760 2.528 1.00 76.66 C +HETATM 109 N HYP A 18 -3.322 6.657 4.246 1.00 78.07 N +HETATM 110 CA HYP A 18 -4.250 7.649 3.795 1.00 84.35 C +HETATM 111 C HYP A 18 -3.653 8.541 2.720 1.00 78.66 C +HETATM 112 O HYP A 18 -2.428 8.795 2.713 1.00 81.08 O +HETATM 113 CB HYP A 18 -4.578 8.366 5.068 1.00 77.61 C +HETATM 114 CG HYP A 18 -4.456 7.304 6.114 1.00 77.01 C +HETATM 115 CD HYP A 18 -3.239 6.549 5.677 1.00 82.16 C +HETATM 116 OD1 HYP A 18 -5.562 6.444 6.152 1.00 79.50 O +ATOM 117 N GLY A 19 -4.470 8.989 1.821 1.00 80.53 N +ATOM 118 CA GLY A 19 -4.033 9.887 0.788 1.00 77.88 C +ATOM 119 C GLY A 19 -3.641 11.236 1.362 1.00 78.30 C +ATOM 120 O GLY A 19 -3.766 11.474 2.566 1.00 79.00 O +ATOM 121 N PRO A 20 -3.174 12.130 0.501 1.00 72.93 N +ATOM 122 CA PRO A 20 -2.756 13.445 0.973 1.00 74.66 C +ATOM 123 C PRO A 20 -3.935 14.259 1.469 1.00 74.71 C +ATOM 124 O PRO A 20 -5.080 14.013 1.100 1.00 76.04 O +ATOM 125 CB PRO A 20 -2.112 14.074 -0.265 1.00 71.92 C +ATOM 126 CG PRO A 20 -2.771 13.384 -1.402 1.00 68.30 C +ATOM 127 CD PRO A 20 -3.018 11.976 -0.936 1.00 68.34 C +HETATM 128 N HYP A 21 -3.685 15.264 2.293 1.00 76.75 N +HETATM 129 CA HYP A 21 -4.685 16.144 2.777 1.00 78.16 C +HETATM 130 C HYP A 21 -5.386 16.942 1.672 1.00 74.87 C +HETATM 131 O HYP A 21 -4.733 17.224 0.639 1.00 83.08 O +HETATM 132 CB HYP A 21 -3.865 17.136 3.637 1.00 76.64 C +HETATM 133 CG HYP A 21 -2.679 16.333 4.103 1.00 76.85 C +HETATM 134 CD HYP A 21 -2.355 15.480 2.883 1.00 79.27 C +HETATM 135 OD1 HYP A 21 -3.038 15.477 5.182 1.00 82.46 O +ATOM 136 N GLY A 22 -6.651 17.150 1.812 1.00 77.00 N +ATOM 137 CA GLY A 22 -7.388 17.933 0.856 1.00 75.39 C +ATOM 138 C GLY A 22 -6.947 19.391 0.892 1.00 74.42 C +ATOM 139 O GLY A 22 -6.157 19.788 1.751 1.00 77.04 O +ATOM 140 N PRO A 23 -7.454 20.210 -0.021 1.00 73.71 N +ATOM 141 CA PRO A 23 -7.069 21.616 -0.051 1.00 77.19 C +ATOM 142 C PRO A 23 -7.682 22.369 1.114 1.00 76.12 C +ATOM 143 O PRO A 23 -8.719 21.987 1.641 1.00 74.78 O +ATOM 144 CB PRO A 23 -7.618 22.107 -1.388 1.00 73.61 C +ATOM 145 CG PRO A 23 -8.778 21.218 -1.639 1.00 67.94 C +ATOM 146 CD PRO A 23 -8.392 19.876 -1.079 1.00 70.47 C +HETATM 147 N HYP A 24 -7.055 23.494 1.487 1.00 78.66 N +HETATM 148 CA HYP A 24 -7.699 24.298 2.512 1.00 79.23 C +HETATM 149 C HYP A 24 -8.879 24.980 1.824 1.00 78.99 C +HETATM 150 O HYP A 24 -8.866 26.113 1.381 1.00 86.14 O +HETATM 151 CB HYP A 24 -6.600 25.414 2.765 1.00 80.10 C +HETATM 152 CG HYP A 24 -5.283 24.857 2.312 1.00 77.99 C +HETATM 153 CD HYP A 24 -5.663 23.905 1.143 1.00 82.50 C +HETATM 154 OD1 HYP A 24 -4.724 24.076 3.358 1.00 82.22 O +HETATM 155 OXT HYP A 24 -9.800 24.225 1.656 1.00 79.89 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_166.txt b/protein_pdb_166.txt new file mode 100644 index 0000000000000000000000000000000000000000..40dde117812e8730d6287ac85bdb4e9a0a4c7853 --- /dev/null +++ b/protein_pdb_166.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 7.608 -2.619 -13.043 1.00 94.44 N +ATOM 2 CA GLY A 1 7.391 -1.321 -12.465 1.00 94.71 C +ATOM 3 C GLY A 1 7.745 -1.274 -10.998 1.00 94.70 C +ATOM 4 O GLY A 1 7.889 -2.310 -10.356 1.00 93.51 O +ATOM 5 N PRO A 2 7.848 -0.139 -10.463 1.00 94.54 N +ATOM 6 CA PRO A 2 8.166 0.020 -9.054 1.00 94.35 C +ATOM 7 C PRO A 2 6.984 -0.327 -8.168 1.00 94.23 C +ATOM 8 O PRO A 2 5.850 -0.428 -8.629 1.00 93.31 O +ATOM 9 CB PRO A 2 8.532 1.498 -8.957 1.00 92.20 C +ATOM 10 CG PRO A 2 7.727 2.123 -10.029 1.00 89.33 C +ATOM 11 CD PRO A 2 7.754 1.134 -11.160 1.00 91.98 C +HETATM 12 N HYP A 3 7.285 -0.518 -6.889 1.00 94.25 N +HETATM 13 CA HYP A 3 6.182 -0.807 -5.949 1.00 92.88 C +HETATM 14 C HYP A 3 5.213 0.359 -5.893 1.00 94.28 C +HETATM 15 O HYP A 3 5.618 1.523 -6.101 1.00 95.08 O +HETATM 16 CB HYP A 3 6.942 -0.893 -4.581 1.00 92.24 C +HETATM 17 CG HYP A 3 8.310 -1.402 -4.975 1.00 90.60 C +HETATM 18 CD HYP A 3 8.582 -0.647 -6.313 1.00 92.83 C +HETATM 19 OD1 HYP A 3 8.222 -2.770 -5.220 1.00 91.83 O +ATOM 20 N GLY A 4 3.961 0.006 -5.690 1.00 94.41 N +ATOM 21 CA GLY A 4 2.943 1.010 -5.605 1.00 93.97 C +ATOM 22 C GLY A 4 3.103 1.845 -4.349 1.00 94.20 C +ATOM 23 O GLY A 4 3.901 1.526 -3.471 1.00 94.72 O +ATOM 24 N PRO A 5 2.345 2.940 -4.236 1.00 93.54 N +ATOM 25 CA PRO A 5 2.427 3.802 -3.067 1.00 93.29 C +ATOM 26 C PRO A 5 1.820 3.134 -1.846 1.00 93.00 C +ATOM 27 O PRO A 5 1.070 2.171 -1.954 1.00 92.24 O +ATOM 28 CB PRO A 5 1.648 5.042 -3.484 1.00 91.66 C +ATOM 29 CG PRO A 5 0.643 4.503 -4.439 1.00 89.84 C +ATOM 30 CD PRO A 5 1.377 3.439 -5.203 1.00 92.23 C +HETATM 31 N HYP A 6 2.177 3.664 -0.657 1.00 94.76 N +HETATM 32 CA HYP A 6 1.578 3.154 0.554 1.00 95.55 C +HETATM 33 C HYP A 6 0.086 3.313 0.565 1.00 95.05 C +HETATM 34 O HYP A 6 -0.468 4.274 -0.029 1.00 94.32 O +HETATM 35 CB HYP A 6 2.198 4.100 1.634 1.00 92.11 C +HETATM 36 CG HYP A 6 3.505 4.517 1.028 1.00 91.03 C +HETATM 37 CD HYP A 6 3.147 4.682 -0.437 1.00 92.23 C +HETATM 38 OD1 HYP A 6 4.423 3.459 1.181 1.00 90.74 O +ATOM 39 N GLY A 7 -0.571 2.367 1.163 1.00 95.13 N +ATOM 40 CA GLY A 7 -2.001 2.414 1.248 1.00 94.45 C +ATOM 41 C GLY A 7 -2.451 3.543 2.150 1.00 94.94 C +ATOM 42 O GLY A 7 -1.638 4.183 2.820 1.00 95.08 O +ATOM 43 N PRO A 8 -3.745 3.815 2.181 1.00 94.90 N +ATOM 44 CA PRO A 8 -4.269 4.874 3.037 1.00 94.65 C +ATOM 45 C PRO A 8 -4.254 4.453 4.497 1.00 94.82 C +ATOM 46 O PRO A 8 -4.119 3.276 4.820 1.00 94.03 O +ATOM 47 CB PRO A 8 -5.690 5.064 2.527 1.00 93.22 C +ATOM 48 CG PRO A 8 -6.058 3.712 2.041 1.00 91.73 C +ATOM 49 CD PRO A 8 -4.800 3.174 1.414 1.00 93.54 C +HETATM 50 N HYP A 9 -4.369 5.450 5.410 1.00 94.39 N +HETATM 51 CA HYP A 9 -4.489 5.150 6.798 1.00 94.65 C +HETATM 52 C HYP A 9 -5.704 4.326 7.099 1.00 94.98 C +HETATM 53 O HYP A 9 -6.724 4.448 6.412 1.00 93.79 O +HETATM 54 CB HYP A 9 -4.605 6.539 7.456 1.00 91.74 C +HETATM 55 CG HYP A 9 -3.894 7.442 6.533 1.00 90.36 C +HETATM 56 CD HYP A 9 -4.225 6.903 5.186 1.00 93.09 C +HETATM 57 OD1 HYP A 9 -2.509 7.340 6.750 1.00 89.62 O +ATOM 58 N GLY A 10 -5.657 3.472 8.071 1.00 94.95 N +ATOM 59 CA GLY A 10 -6.813 2.708 8.476 1.00 93.19 C +ATOM 60 C GLY A 10 -7.808 3.634 9.156 1.00 93.64 C +ATOM 61 O GLY A 10 -7.669 4.852 9.106 1.00 92.54 O +ATOM 62 N GLN A 11 -8.820 3.048 9.809 1.00 93.92 N +ATOM 63 CA GLN A 11 -9.787 3.859 10.548 1.00 94.22 C +ATOM 64 C GLN A 11 -9.045 4.862 11.414 1.00 94.38 C +ATOM 65 O GLN A 11 -9.339 6.052 11.412 1.00 92.01 O +ATOM 66 CB GLN A 11 -10.652 2.953 11.422 1.00 92.19 C +ATOM 67 CG GLN A 11 -11.547 2.023 10.627 1.00 88.24 C +ATOM 68 CD GLN A 11 -12.814 2.706 10.149 1.00 83.74 C +ATOM 69 OE1 GLN A 11 -12.882 3.924 10.030 1.00 79.03 O +ATOM 70 NE2 GLN A 11 -13.836 1.924 9.863 1.00 76.97 N +ATOM 71 N ILE A 12 -8.063 4.371 12.150 1.00 95.22 N +ATOM 72 CA ILE A 12 -7.111 5.172 12.912 1.00 95.53 C +ATOM 73 C ILE A 12 -5.854 4.322 12.990 1.00 95.39 C +ATOM 74 O ILE A 12 -5.660 3.545 13.921 1.00 92.44 O +ATOM 75 CB ILE A 12 -7.608 5.537 14.335 1.00 94.51 C +ATOM 76 CG1 ILE A 12 -8.310 4.360 14.987 1.00 90.66 C +ATOM 77 CG2 ILE A 12 -8.519 6.752 14.286 1.00 88.11 C +ATOM 78 CD1 ILE A 12 -8.628 4.583 16.451 1.00 81.66 C +ATOM 79 N GLY A 13 -5.009 4.449 11.991 1.00 95.51 N +ATOM 80 CA GLY A 13 -3.828 3.618 11.958 1.00 95.08 C +ATOM 81 C GLY A 13 -2.859 4.059 10.899 1.00 95.63 C +ATOM 82 O GLY A 13 -3.114 5.004 10.157 1.00 95.32 O +ATOM 83 N PRO A 14 -1.720 3.386 10.820 1.00 95.20 N +ATOM 84 CA PRO A 14 -0.685 3.738 9.863 1.00 95.06 C +ATOM 85 C PRO A 14 -1.107 3.439 8.436 1.00 95.21 C +ATOM 86 O PRO A 14 -2.066 2.723 8.192 1.00 94.40 O +ATOM 87 CB PRO A 14 0.499 2.872 10.287 1.00 93.83 C +ATOM 88 CG PRO A 14 -0.151 1.674 10.883 1.00 92.72 C +ATOM 89 CD PRO A 14 -1.350 2.216 11.606 1.00 94.00 C +HETATM 90 N HYP A 15 -0.351 4.033 7.516 1.00 95.37 N +HETATM 91 CA HYP A 15 -0.582 3.704 6.119 1.00 95.77 C +HETATM 92 C HYP A 15 -0.390 2.264 5.815 1.00 96.28 C +HETATM 93 O HYP A 15 0.408 1.601 6.521 1.00 95.24 O +HETATM 94 CB HYP A 15 0.475 4.589 5.422 1.00 93.23 C +HETATM 95 CG HYP A 15 0.676 5.745 6.376 1.00 92.14 C +HETATM 96 CD HYP A 15 0.596 5.078 7.735 1.00 94.05 C +HETATM 97 OD1 HYP A 15 -0.353 6.669 6.231 1.00 92.09 O +ATOM 98 N GLY A 16 -1.104 1.758 4.866 1.00 96.24 N +ATOM 99 CA GLY A 16 -0.965 0.386 4.478 1.00 95.97 C +ATOM 100 C GLY A 16 0.384 0.155 3.824 1.00 96.21 C +ATOM 101 O GLY A 16 1.126 1.100 3.551 1.00 96.05 O +ATOM 102 N PRO A 17 0.722 -1.104 3.561 1.00 94.83 N +ATOM 103 CA PRO A 17 1.997 -1.417 2.937 1.00 94.45 C +ATOM 104 C PRO A 17 2.029 -0.971 1.484 1.00 94.82 C +ATOM 105 O PRO A 17 0.987 -0.732 0.873 1.00 94.16 O +ATOM 106 CB PRO A 17 2.096 -2.931 3.070 1.00 93.44 C +ATOM 107 CG PRO A 17 0.677 -3.367 3.070 1.00 91.78 C +ATOM 108 CD PRO A 17 -0.049 -2.305 3.845 1.00 93.28 C +HETATM 109 N HYP A 18 3.234 -0.859 0.947 1.00 92.37 N +HETATM 110 CA HYP A 18 3.357 -0.543 -0.443 1.00 92.15 C +HETATM 111 C HYP A 18 2.705 -1.567 -1.333 1.00 93.96 C +HETATM 112 O HYP A 18 2.630 -2.767 -0.970 1.00 92.73 O +HETATM 113 CB HYP A 18 4.896 -0.613 -0.663 1.00 90.74 C +HETATM 114 CG HYP A 18 5.469 -0.244 0.681 1.00 89.53 C +HETATM 115 CD HYP A 18 4.494 -0.933 1.630 1.00 92.05 C +HETATM 116 OD1 HYP A 18 5.385 1.164 0.860 1.00 90.06 O +ATOM 117 N GLY A 19 2.206 -1.130 -2.438 1.00 91.53 N +ATOM 118 CA GLY A 19 1.595 -2.024 -3.380 1.00 91.18 C +ATOM 119 C GLY A 19 2.643 -2.896 -4.039 1.00 91.10 C +ATOM 120 O GLY A 19 3.841 -2.668 -3.895 1.00 92.33 O +ATOM 121 N PRO A 20 2.201 -3.915 -4.763 1.00 87.93 N +ATOM 122 CA PRO A 20 3.135 -4.805 -5.438 1.00 87.96 C +ATOM 123 C PRO A 20 3.796 -4.117 -6.615 1.00 87.51 C +ATOM 124 O PRO A 20 3.338 -3.081 -7.090 1.00 89.23 O +ATOM 125 CB PRO A 20 2.247 -5.964 -5.879 1.00 86.25 C +ATOM 126 CG PRO A 20 0.927 -5.320 -6.091 1.00 83.24 C +ATOM 127 CD PRO A 20 0.817 -4.296 -4.986 1.00 84.93 C +HETATM 128 N HYP A 21 4.917 -4.711 -7.059 1.00 90.05 N +HETATM 129 CA HYP A 21 5.545 -4.186 -8.245 1.00 90.36 C +HETATM 130 C HYP A 21 4.634 -4.136 -9.447 1.00 91.27 C +HETATM 131 O HYP A 21 3.782 -5.021 -9.606 1.00 93.36 O +HETATM 132 CB HYP A 21 6.702 -5.167 -8.514 1.00 89.15 C +HETATM 133 CG HYP A 21 7.038 -5.719 -7.160 1.00 85.74 C +HETATM 134 CD HYP A 21 5.684 -5.821 -6.482 1.00 89.86 C +HETATM 135 OD1 HYP A 21 7.829 -4.767 -6.446 1.00 85.86 O +ATOM 136 N GLY A 22 4.731 -3.075 -10.204 1.00 90.50 N +ATOM 137 CA GLY A 22 3.937 -2.938 -11.384 1.00 88.09 C +ATOM 138 C GLY A 22 4.454 -3.875 -12.466 1.00 87.62 C +ATOM 139 O GLY A 22 5.460 -4.559 -12.277 1.00 88.02 O +ATOM 140 N PRO A 23 3.793 -3.905 -13.619 1.00 93.41 N +ATOM 141 CA PRO A 23 4.242 -4.766 -14.704 1.00 93.19 C +ATOM 142 C PRO A 23 5.563 -4.265 -15.267 1.00 91.72 C +ATOM 143 O PRO A 23 5.657 -3.134 -15.723 1.00 89.36 O +ATOM 144 CB PRO A 23 3.116 -4.673 -15.723 1.00 91.00 C +ATOM 145 CG PRO A 23 2.529 -3.333 -15.469 1.00 87.93 C +ATOM 146 CD PRO A 23 2.614 -3.152 -13.968 1.00 91.22 C +HETATM 147 N HYP A 24 6.562 -4.998 -15.185 1.00 94.86 N +HETATM 148 CA HYP A 24 7.953 -4.521 -15.462 1.00 91.13 C +HETATM 149 C HYP A 24 8.427 -3.374 -14.797 1.00 93.79 C +HETATM 150 O HYP A 24 8.694 -2.287 -15.344 1.00 93.24 O +HETATM 151 CB HYP A 24 8.625 -5.425 -16.280 1.00 90.96 C +HETATM 152 CG HYP A 24 7.517 -6.330 -16.842 1.00 89.72 C +HETATM 153 CD HYP A 24 6.289 -6.132 -15.940 1.00 93.49 C +HETATM 154 OD1 HYP A 24 7.894 -7.672 -16.800 1.00 89.23 O +HETATM 155 OXT HYP A 24 9.182 -3.509 -13.679 1.00 90.89 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_167.txt b/protein_pdb_167.txt new file mode 100644 index 0000000000000000000000000000000000000000..9f999db878616491b3da679627daecaf54977c36 --- /dev/null +++ b/protein_pdb_167.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -11.498 -5.858 -9.053 1.00 92.20 N +ATOM 2 CA GLY A 1 -11.378 -4.468 -8.711 1.00 92.92 C +ATOM 3 C GLY A 1 -9.963 -3.954 -8.872 1.00 93.41 C +ATOM 4 O GLY A 1 -9.047 -4.725 -9.116 1.00 91.93 O +ATOM 5 N PRO A 2 -9.726 -2.651 -8.679 1.00 92.30 N +ATOM 6 CA PRO A 2 -8.413 -2.053 -8.829 1.00 92.78 C +ATOM 7 C PRO A 2 -7.533 -2.314 -7.619 1.00 92.84 C +ATOM 8 O PRO A 2 -8.002 -2.741 -6.574 1.00 91.87 O +ATOM 9 CB PRO A 2 -8.730 -0.573 -8.970 1.00 90.22 C +ATOM 10 CG PRO A 2 -9.963 -0.405 -8.160 1.00 86.54 C +ATOM 11 CD PRO A 2 -10.755 -1.657 -8.383 1.00 89.31 C +HETATM 12 N HYP A 3 -6.244 -2.029 -7.793 1.00 92.18 N +HETATM 13 CA HYP A 3 -5.338 -2.129 -6.685 1.00 90.18 C +HETATM 14 C HYP A 3 -5.749 -1.219 -5.540 1.00 92.97 C +HETATM 15 O HYP A 3 -6.288 -0.122 -5.794 1.00 94.67 O +HETATM 16 CB HYP A 3 -3.983 -1.630 -7.283 1.00 91.72 C +HETATM 17 CG HYP A 3 -4.103 -1.991 -8.733 1.00 88.67 C +HETATM 18 CD HYP A 3 -5.595 -1.709 -9.023 1.00 91.26 C +HETATM 19 OD1 HYP A 3 -3.856 -3.360 -8.880 1.00 90.85 O +ATOM 20 N GLY A 4 -5.566 -1.700 -4.343 1.00 94.32 N +ATOM 21 CA GLY A 4 -5.898 -0.927 -3.184 1.00 93.58 C +ATOM 22 C GLY A 4 -4.969 0.263 -3.028 1.00 94.00 C +ATOM 23 O GLY A 4 -3.981 0.402 -3.742 1.00 94.21 O +ATOM 24 N PRO A 5 -5.275 1.126 -2.066 1.00 94.31 N +ATOM 25 CA PRO A 5 -4.446 2.298 -1.835 1.00 93.88 C +ATOM 26 C PRO A 5 -3.105 1.911 -1.231 1.00 93.73 C +ATOM 27 O PRO A 5 -2.937 0.822 -0.704 1.00 93.25 O +ATOM 28 CB PRO A 5 -5.272 3.130 -0.863 1.00 92.57 C +ATOM 29 CG PRO A 5 -6.077 2.114 -0.133 1.00 91.01 C +ATOM 30 CD PRO A 5 -6.395 1.059 -1.138 1.00 93.39 C +HETATM 31 N HYP A 6 -2.152 2.842 -1.326 1.00 93.55 N +HETATM 32 CA HYP A 6 -0.871 2.635 -0.710 1.00 94.89 C +HETATM 33 C HYP A 6 -1.000 2.399 0.775 1.00 94.99 C +HETATM 34 O HYP A 6 -1.915 2.964 1.417 1.00 95.01 O +HETATM 35 CB HYP A 6 -0.134 3.943 -1.021 1.00 92.41 C +HETATM 36 CG HYP A 6 -0.789 4.421 -2.288 1.00 91.82 C +HETATM 37 CD HYP A 6 -2.262 4.063 -2.062 1.00 92.85 C +HETATM 38 OD1 HYP A 6 -0.313 3.689 -3.389 1.00 91.28 O +ATOM 39 N GLY A 7 -0.166 1.559 1.287 1.00 93.61 N +ATOM 40 CA GLY A 7 -0.157 1.294 2.694 1.00 92.99 C +ATOM 41 C GLY A 7 0.279 2.516 3.475 1.00 93.52 C +ATOM 42 O GLY A 7 0.719 3.514 2.918 1.00 93.71 O +ATOM 43 N PRO A 8 0.153 2.431 4.794 1.00 93.72 N +ATOM 44 CA PRO A 8 0.537 3.561 5.626 1.00 93.06 C +ATOM 45 C PRO A 8 2.045 3.740 5.652 1.00 93.54 C +ATOM 46 O PRO A 8 2.806 2.806 5.421 1.00 92.17 O +ATOM 47 CB PRO A 8 0.006 3.183 7.000 1.00 91.08 C +ATOM 48 CG PRO A 8 -0.000 1.700 6.990 1.00 90.13 C +ATOM 49 CD PRO A 8 -0.339 1.311 5.580 1.00 92.17 C +HETATM 50 N HYP A 9 2.465 4.941 5.968 1.00 93.37 N +HETATM 51 CA HYP A 9 3.853 5.248 6.063 1.00 92.88 C +HETATM 52 C HYP A 9 4.500 4.481 7.206 1.00 93.47 C +HETATM 53 O HYP A 9 3.895 4.357 8.299 1.00 93.22 O +HETATM 54 CB HYP A 9 3.870 6.761 6.378 1.00 90.54 C +HETATM 55 CG HYP A 9 2.556 7.275 5.874 1.00 89.90 C +HETATM 56 CD HYP A 9 1.610 6.145 6.110 1.00 93.01 C +HETATM 57 OD1 HYP A 9 2.649 7.495 4.482 1.00 89.77 O +ATOM 58 N GLY A 10 5.650 3.929 7.038 1.00 92.41 N +ATOM 59 CA GLY A 10 6.390 3.358 8.130 1.00 89.88 C +ATOM 60 C GLY A 10 6.992 4.465 8.968 1.00 89.89 C +ATOM 61 O GLY A 10 6.982 5.633 8.590 1.00 88.52 O +ATOM 62 N ARG A 11 7.532 4.084 10.116 1.00 89.37 N +ATOM 63 CA ARG A 11 8.168 5.091 10.958 1.00 90.15 C +ATOM 64 C ARG A 11 9.285 5.805 10.223 1.00 90.24 C +ATOM 65 O ARG A 11 9.458 7.005 10.395 1.00 87.35 O +ATOM 66 CB ARG A 11 8.733 4.448 12.229 1.00 87.31 C +ATOM 67 CG ARG A 11 7.689 4.054 13.228 1.00 82.77 C +ATOM 68 CD ARG A 11 8.324 3.602 14.527 1.00 77.44 C +ATOM 69 NE ARG A 11 8.026 4.506 15.631 1.00 74.42 N +ATOM 70 CZ ARG A 11 8.694 5.607 15.916 1.00 69.47 C +ATOM 71 NH1 ARG A 11 9.739 5.979 15.211 1.00 67.01 N +ATOM 72 NH2 ARG A 11 8.339 6.347 16.946 1.00 64.78 N +ATOM 73 N GLN A 12 10.043 5.044 9.442 1.00 92.05 N +ATOM 74 CA GLN A 12 11.150 5.592 8.675 1.00 92.65 C +ATOM 75 C GLN A 12 10.990 5.394 7.181 1.00 93.22 C +ATOM 76 O GLN A 12 11.779 5.927 6.404 1.00 88.44 O +ATOM 77 CB GLN A 12 12.468 4.937 9.116 1.00 90.31 C +ATOM 78 CG GLN A 12 12.779 5.067 10.600 1.00 84.39 C +ATOM 79 CD GLN A 12 13.098 6.487 11.020 1.00 78.59 C +ATOM 80 OE1 GLN A 12 13.389 7.336 10.188 1.00 72.92 O +ATOM 81 NE2 GLN A 12 13.041 6.744 12.310 1.00 71.70 N +ATOM 82 N GLY A 13 10.015 4.612 6.780 1.00 94.39 N +ATOM 83 CA GLY A 13 9.906 4.211 5.398 1.00 93.59 C +ATOM 84 C GLY A 13 8.803 4.892 4.627 1.00 94.13 C +ATOM 85 O GLY A 13 7.993 5.628 5.182 1.00 93.75 O +ATOM 86 N PRO A 14 8.788 4.638 3.340 1.00 94.42 N +ATOM 87 CA PRO A 14 7.764 5.188 2.477 1.00 94.27 C +ATOM 88 C PRO A 14 6.455 4.452 2.662 1.00 94.31 C +ATOM 89 O PRO A 14 6.385 3.442 3.357 1.00 93.29 O +ATOM 90 CB PRO A 14 8.329 4.963 1.077 1.00 92.75 C +ATOM 91 CG PRO A 14 9.113 3.704 1.222 1.00 91.52 C +ATOM 92 CD PRO A 14 9.713 3.775 2.600 1.00 92.63 C +HETATM 93 N HYP A 15 5.468 4.976 2.017 1.00 93.29 N +HETATM 94 CA HYP A 15 4.178 4.309 2.035 1.00 92.57 C +HETATM 95 C HYP A 15 4.306 2.903 1.563 1.00 94.68 C +HETATM 96 O HYP A 15 5.188 2.620 0.710 1.00 94.28 O +HETATM 97 CB HYP A 15 3.355 5.194 1.125 1.00 91.09 C +HETATM 98 CG HYP A 15 4.002 6.564 1.218 1.00 90.08 C +HETATM 99 CD HYP A 15 5.485 6.215 1.278 1.00 92.46 C +HETATM 100 OD1 HYP A 15 3.616 7.184 2.415 1.00 90.99 O +ATOM 101 N GLY A 16 3.502 2.032 2.078 1.00 94.60 N +ATOM 102 CA GLY A 16 3.501 0.671 1.624 1.00 94.25 C +ATOM 103 C GLY A 16 3.022 0.575 0.199 1.00 94.71 C +ATOM 104 O GLY A 16 2.503 1.540 -0.369 1.00 94.56 O +ATOM 105 N PRO A 17 3.201 -0.593 -0.388 1.00 93.84 N +ATOM 106 CA PRO A 17 2.760 -0.793 -1.760 1.00 93.19 C +ATOM 107 C PRO A 17 1.248 -0.796 -1.857 1.00 93.53 C +ATOM 108 O PRO A 17 0.549 -0.974 -0.865 1.00 92.67 O +ATOM 109 CB PRO A 17 3.350 -2.147 -2.127 1.00 91.85 C +ATOM 110 CG PRO A 17 3.443 -2.851 -0.822 1.00 90.31 C +ATOM 111 CD PRO A 17 3.792 -1.792 0.175 1.00 92.17 C +HETATM 112 N HYP A 18 0.764 -0.572 -3.055 1.00 91.87 N +HETATM 113 CA HYP A 18 -0.631 -0.679 -3.282 1.00 91.98 C +HETATM 114 C HYP A 18 -1.178 -1.993 -2.858 1.00 92.46 C +HETATM 115 O HYP A 18 -0.477 -3.020 -2.956 1.00 92.63 O +HETATM 116 CB HYP A 18 -0.720 -0.435 -4.788 1.00 89.84 C +HETATM 117 CG HYP A 18 0.480 0.436 -5.100 1.00 89.42 C +HETATM 118 CD HYP A 18 1.535 -0.148 -4.199 1.00 92.17 C +HETATM 119 OD1 HYP A 18 0.231 1.777 -4.727 1.00 90.22 O +ATOM 120 N GLY A 19 -2.367 -2.003 -2.366 1.00 89.62 N +ATOM 121 CA GLY A 19 -3.006 -3.222 -1.965 1.00 89.05 C +ATOM 122 C GLY A 19 -3.303 -4.108 -3.153 1.00 89.41 C +ATOM 123 O GLY A 19 -3.154 -3.698 -4.304 1.00 90.65 O +ATOM 124 N PRO A 20 -3.721 -5.328 -2.874 1.00 90.20 N +ATOM 125 CA PRO A 20 -4.034 -6.251 -3.949 1.00 89.36 C +ATOM 126 C PRO A 20 -5.297 -5.829 -4.680 1.00 89.62 C +ATOM 127 O PRO A 20 -6.107 -5.075 -4.160 1.00 90.06 O +ATOM 128 CB PRO A 20 -4.224 -7.579 -3.227 1.00 87.19 C +ATOM 129 CG PRO A 20 -4.698 -7.172 -1.878 1.00 84.76 C +ATOM 130 CD PRO A 20 -3.959 -5.909 -1.565 1.00 86.82 C +HETATM 131 N HYP A 21 -5.435 -6.322 -5.884 1.00 90.56 N +HETATM 132 CA HYP A 21 -6.635 -6.095 -6.614 1.00 89.19 C +HETATM 133 C HYP A 21 -7.862 -6.582 -5.902 1.00 90.77 C +HETATM 134 O HYP A 21 -7.784 -7.621 -5.243 1.00 93.03 O +HETATM 135 CB HYP A 21 -6.429 -6.818 -7.928 1.00 89.32 C +HETATM 136 CG HYP A 21 -4.936 -6.849 -8.094 1.00 87.25 C +HETATM 137 CD HYP A 21 -4.444 -7.059 -6.685 1.00 90.52 C +HETATM 138 OD1 HYP A 21 -4.490 -5.581 -8.558 1.00 88.22 O +ATOM 139 N GLY A 22 -8.903 -5.833 -5.934 1.00 88.24 N +ATOM 140 CA GLY A 22 -10.140 -6.272 -5.363 1.00 85.07 C +ATOM 141 C GLY A 22 -10.739 -7.380 -6.200 1.00 84.52 C +ATOM 142 O GLY A 22 -10.231 -7.716 -7.269 1.00 85.12 O +ATOM 143 N PRO A 23 -11.830 -7.964 -5.732 1.00 93.30 N +ATOM 144 CA PRO A 23 -12.486 -8.994 -6.521 1.00 92.89 C +ATOM 145 C PRO A 23 -13.044 -8.400 -7.798 1.00 91.72 C +ATOM 146 O PRO A 23 -13.475 -7.251 -7.816 1.00 89.13 O +ATOM 147 CB PRO A 23 -13.587 -9.496 -5.597 1.00 90.39 C +ATOM 148 CG PRO A 23 -13.869 -8.339 -4.710 1.00 87.85 C +ATOM 149 CD PRO A 23 -12.547 -7.662 -4.512 1.00 90.90 C +HETATM 150 N HYP A 24 -12.946 -9.051 -8.826 1.00 93.79 N +HETATM 151 CA HYP A 24 -13.389 -8.383 -10.094 1.00 87.02 C +HETATM 152 C HYP A 24 -12.811 -7.060 -10.333 1.00 92.68 C +HETATM 153 O HYP A 24 -13.553 -6.083 -10.624 1.00 90.71 O +HETATM 154 CB HYP A 24 -13.442 -9.421 -11.058 1.00 89.09 C +HETATM 155 CG HYP A 24 -13.648 -10.642 -10.214 1.00 88.95 C +HETATM 156 CD HYP A 24 -12.987 -10.409 -8.867 1.00 92.02 C +HETATM 157 OD1 HYP A 24 -13.816 -11.793 -10.712 1.00 88.22 O +HETATM 158 OXT HYP A 24 -11.538 -6.934 -10.673 1.00 89.09 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_168.txt b/protein_pdb_168.txt new file mode 100644 index 0000000000000000000000000000000000000000..53f9d8bbb9d69a088ba8f2850e35703f4c14424d --- /dev/null +++ b/protein_pdb_168.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 21.135 -27.671 6.778 1.00 84.04 N +ATOM 2 CA GLY A 1 20.438 -27.595 5.495 1.00 88.63 C +ATOM 3 C GLY A 1 20.481 -26.192 4.924 1.00 89.43 C +ATOM 4 O GLY A 1 20.916 -25.257 5.595 1.00 86.37 O +ATOM 5 N PRO A 2 20.020 -26.004 3.705 1.00 85.94 N +ATOM 6 CA PRO A 2 20.022 -24.676 3.088 1.00 90.28 C +ATOM 7 C PRO A 2 18.991 -23.764 3.736 1.00 90.23 C +ATOM 8 O PRO A 2 18.026 -24.226 4.333 1.00 88.77 O +ATOM 9 CB PRO A 2 19.678 -24.951 1.626 1.00 87.21 C +ATOM 10 CG PRO A 2 18.865 -26.204 1.691 1.00 82.85 C +ATOM 11 CD PRO A 2 19.480 -27.023 2.802 1.00 84.99 C +HETATM 12 N HYP A 3 19.228 -22.531 3.670 1.00 89.67 N +HETATM 13 CA HYP A 3 18.268 -21.499 4.134 1.00 89.56 C +HETATM 14 C HYP A 3 16.942 -21.662 3.456 1.00 81.48 C +HETATM 15 O HYP A 3 16.860 -22.076 2.279 1.00 87.91 O +HETATM 16 CB HYP A 3 18.920 -20.198 3.714 1.00 85.49 C +HETATM 17 CG HYP A 3 20.392 -20.496 3.606 1.00 84.61 C +HETATM 18 CD HYP A 3 20.403 -21.932 3.051 1.00 86.27 C +HETATM 19 OD1 HYP A 3 21.019 -20.480 4.863 1.00 88.56 O +ATOM 20 N GLY A 4 15.867 -21.367 4.191 1.00 94.00 N +ATOM 21 CA GLY A 4 14.538 -21.441 3.634 1.00 93.55 C +ATOM 22 C GLY A 4 14.303 -20.346 2.609 1.00 93.61 C +ATOM 23 O GLY A 4 15.102 -19.418 2.476 1.00 92.59 O +ATOM 24 N PRO A 5 13.203 -20.443 1.876 1.00 92.74 N +ATOM 25 CA PRO A 5 12.902 -19.425 0.869 1.00 92.76 C +ATOM 26 C PRO A 5 12.524 -18.098 1.515 1.00 92.44 C +ATOM 27 O PRO A 5 12.096 -18.057 2.667 1.00 91.10 O +ATOM 28 CB PRO A 5 11.733 -20.024 0.085 1.00 90.47 C +ATOM 29 CG PRO A 5 11.064 -20.905 1.085 1.00 88.93 C +ATOM 30 CD PRO A 5 12.181 -21.477 1.923 1.00 90.89 C +HETATM 31 N HYP A 6 12.695 -17.041 0.762 1.00 91.78 N +HETATM 32 CA HYP A 6 12.245 -15.712 1.245 1.00 93.18 C +HETATM 33 C HYP A 6 10.783 -15.693 1.502 1.00 91.67 C +HETATM 34 O HYP A 6 9.995 -16.383 0.810 1.00 90.31 O +HETATM 35 CB HYP A 6 12.579 -14.826 0.020 1.00 87.41 C +HETATM 36 CG HYP A 6 13.691 -15.527 -0.702 1.00 85.11 C +HETATM 37 CD HYP A 6 13.356 -16.990 -0.514 1.00 89.83 C +HETATM 38 OD1 HYP A 6 14.925 -15.228 -0.107 1.00 87.34 O +ATOM 39 N GLY A 7 10.346 -14.965 2.545 1.00 93.52 N +ATOM 40 CA GLY A 7 8.947 -14.852 2.869 1.00 93.15 C +ATOM 41 C GLY A 7 8.202 -14.049 1.818 1.00 93.80 C +ATOM 42 O GLY A 7 8.810 -13.436 0.938 1.00 93.08 O +ATOM 43 N PRO A 8 6.879 -14.028 1.912 1.00 91.34 N +ATOM 44 CA PRO A 8 6.081 -13.263 0.956 1.00 91.55 C +ATOM 45 C PRO A 8 6.225 -11.766 1.184 1.00 91.42 C +ATOM 46 O PRO A 8 6.598 -11.329 2.266 1.00 89.18 O +ATOM 47 CB PRO A 8 4.654 -13.733 1.222 1.00 89.21 C +ATOM 48 CG PRO A 8 4.684 -14.117 2.664 1.00 88.98 C +ATOM 49 CD PRO A 8 6.049 -14.720 2.886 1.00 91.19 C +HETATM 50 N HYP A 9 5.947 -10.968 0.198 1.00 92.77 N +HETATM 51 CA HYP A 9 5.912 -9.544 0.290 1.00 91.57 C +HETATM 52 C HYP A 9 4.934 -9.086 1.287 1.00 91.28 C +HETATM 53 O HYP A 9 3.874 -9.695 1.454 1.00 88.88 O +HETATM 54 CB HYP A 9 5.525 -9.117 -1.138 1.00 88.82 C +HETATM 55 CG HYP A 9 6.043 -10.209 -1.999 1.00 87.74 C +HETATM 56 CD HYP A 9 5.826 -11.415 -1.159 1.00 90.76 C +HETATM 57 OD1 HYP A 9 7.409 -10.033 -2.265 1.00 85.07 O +ATOM 58 N GLY A 10 5.197 -7.975 2.026 1.00 91.68 N +ATOM 59 CA GLY A 10 4.306 -7.445 3.027 1.00 90.85 C +ATOM 60 C GLY A 10 3.008 -6.928 2.432 1.00 91.24 C +ATOM 61 O GLY A 10 2.863 -6.804 1.211 1.00 89.75 O +ATOM 62 N GLU A 11 2.056 -6.628 3.322 1.00 85.39 N +ATOM 63 CA GLU A 11 0.770 -6.087 2.901 1.00 86.71 C +ATOM 64 C GLU A 11 0.951 -4.727 2.240 1.00 86.11 C +ATOM 65 O GLU A 11 1.838 -3.955 2.598 1.00 83.61 O +ATOM 66 CB GLU A 11 -0.149 -5.924 4.108 1.00 82.07 C +ATOM 67 CG GLU A 11 -0.613 -7.223 4.733 1.00 76.16 C +ATOM 68 CD GLU A 11 -1.723 -7.865 3.939 1.00 72.09 C +ATOM 69 OE1 GLU A 11 -1.435 -8.776 3.153 1.00 68.56 O +ATOM 70 OE2 GLU A 11 -2.877 -7.448 4.112 1.00 69.95 O +ATOM 71 N ALA A 12 0.099 -4.439 1.264 1.00 84.56 N +ATOM 72 CA ALA A 12 0.119 -3.129 0.632 1.00 84.72 C +ATOM 73 C ALA A 12 -0.213 -2.075 1.673 1.00 84.19 C +ATOM 74 O ALA A 12 -0.960 -2.330 2.620 1.00 79.86 O +ATOM 75 CB ALA A 12 -0.883 -3.078 -0.518 1.00 80.78 C +ATOM 76 N GLY A 13 0.368 -0.902 1.513 1.00 87.67 N +ATOM 77 CA GLY A 13 0.115 0.181 2.442 1.00 86.17 C +ATOM 78 C GLY A 13 -1.313 0.689 2.365 1.00 87.41 C +ATOM 79 O GLY A 13 -2.077 0.303 1.472 1.00 87.48 O +ATOM 80 N PRO A 14 -1.699 1.565 3.297 1.00 84.61 N +ATOM 81 CA PRO A 14 -3.050 2.104 3.298 1.00 86.18 C +ATOM 82 C PRO A 14 -3.268 3.047 2.115 1.00 86.01 C +ATOM 83 O PRO A 14 -2.324 3.556 1.536 1.00 84.85 O +ATOM 84 CB PRO A 14 -3.138 2.853 4.628 1.00 83.61 C +ATOM 85 CG PRO A 14 -1.730 3.240 4.913 1.00 82.08 C +ATOM 86 CD PRO A 14 -0.896 2.087 4.412 1.00 83.65 C +HETATM 87 N HYP A 15 -4.518 3.285 1.767 1.00 81.76 N +HETATM 88 CA HYP A 15 -4.883 4.235 0.738 1.00 86.08 C +HETATM 89 C HYP A 15 -4.355 5.609 1.038 1.00 81.58 C +HETATM 90 O HYP A 15 -4.166 5.967 2.219 1.00 84.20 O +HETATM 91 CB HYP A 15 -6.403 4.192 0.828 1.00 81.67 C +HETATM 92 CG HYP A 15 -6.713 2.819 1.366 1.00 81.89 C +HETATM 93 CD HYP A 15 -5.614 2.597 2.333 1.00 85.17 C +HETATM 94 OD1 HYP A 15 -6.671 1.853 0.356 1.00 84.41 O +ATOM 95 N GLY A 16 -4.055 6.375 0.032 1.00 93.41 N +ATOM 96 CA GLY A 16 -3.587 7.725 0.223 1.00 92.65 C +ATOM 97 C GLY A 16 -4.669 8.611 0.821 1.00 92.93 C +ATOM 98 O GLY A 16 -5.817 8.184 0.991 1.00 92.48 O +ATOM 99 N PRO A 17 -4.308 9.860 1.144 1.00 83.40 N +ATOM 100 CA PRO A 17 -5.282 10.780 1.728 1.00 84.88 C +ATOM 101 C PRO A 17 -6.351 11.171 0.720 1.00 84.22 C +ATOM 102 O PRO A 17 -6.159 11.062 -0.485 1.00 82.84 O +ATOM 103 CB PRO A 17 -4.431 11.979 2.139 1.00 82.75 C +ATOM 104 CG PRO A 17 -3.277 11.940 1.207 1.00 81.30 C +ATOM 105 CD PRO A 17 -2.986 10.476 0.989 1.00 82.41 C +HETATM 106 N HYP A 18 -7.460 11.644 1.187 1.00 88.39 N +HETATM 107 CA HYP A 18 -8.549 12.130 0.365 1.00 89.08 C +HETATM 108 C HYP A 18 -8.104 13.278 -0.519 1.00 84.75 C +HETATM 109 O HYP A 18 -7.248 14.091 -0.112 1.00 90.18 O +HETATM 110 CB HYP A 18 -9.567 12.610 1.376 1.00 87.02 C +HETATM 111 CG HYP A 18 -9.300 11.784 2.600 1.00 84.61 C +HETATM 112 CD HYP A 18 -7.799 11.626 2.577 1.00 87.48 C +HETATM 113 OD1 HYP A 18 -9.899 10.519 2.505 1.00 88.11 O +ATOM 114 N GLY A 19 -8.624 13.345 -1.724 1.00 84.80 N +ATOM 115 CA GLY A 19 -8.309 14.418 -2.629 1.00 82.79 C +ATOM 116 C GLY A 19 -8.886 15.731 -2.133 1.00 83.71 C +ATOM 117 O GLY A 19 -9.615 15.778 -1.137 1.00 84.50 O +ATOM 118 N PRO A 20 -8.584 16.829 -2.828 1.00 83.91 N +ATOM 119 CA PRO A 20 -9.095 18.132 -2.418 1.00 84.35 C +ATOM 120 C PRO A 20 -10.598 18.232 -2.632 1.00 83.41 C +ATOM 121 O PRO A 20 -11.177 17.487 -3.411 1.00 82.25 O +ATOM 122 CB PRO A 20 -8.328 19.110 -3.317 1.00 81.68 C +ATOM 123 CG PRO A 20 -7.975 18.294 -4.508 1.00 79.98 C +ATOM 124 CD PRO A 20 -7.721 16.909 -4.004 1.00 81.95 C +HETATM 125 N HYP A 21 -11.245 19.181 -1.964 1.00 90.56 N +HETATM 126 CA HYP A 21 -12.649 19.389 -2.090 1.00 87.78 C +HETATM 127 C HYP A 21 -13.051 19.829 -3.494 1.00 91.26 C +HETATM 128 O HYP A 21 -12.266 20.510 -4.164 1.00 89.72 O +HETATM 129 CB HYP A 21 -12.930 20.572 -1.139 1.00 88.90 C +HETATM 130 CG HYP A 21 -11.834 20.489 -0.100 1.00 86.45 C +HETATM 131 CD HYP A 21 -10.644 19.990 -0.899 1.00 89.10 C +HETATM 132 OD1 HYP A 21 -12.147 19.533 0.898 1.00 86.84 O +ATOM 133 N GLY A 22 -14.193 19.367 -3.957 1.00 85.41 N +ATOM 134 CA GLY A 22 -14.685 19.746 -5.250 1.00 83.66 C +ATOM 135 C GLY A 22 -15.065 21.221 -5.279 1.00 83.84 C +ATOM 136 O GLY A 22 -15.063 21.897 -4.252 1.00 82.17 O +ATOM 137 N PRO A 23 -15.437 21.741 -6.465 1.00 87.11 N +ATOM 138 CA PRO A 23 -15.803 23.149 -6.579 1.00 87.96 C +ATOM 139 C PRO A 23 -17.140 23.417 -5.907 1.00 87.23 C +ATOM 140 O PRO A 23 -17.947 22.510 -5.714 1.00 82.29 O +ATOM 141 CB PRO A 23 -15.869 23.376 -8.090 1.00 82.94 C +ATOM 142 CG PRO A 23 -16.217 22.035 -8.622 1.00 79.95 C +ATOM 143 CD PRO A 23 -15.502 21.046 -7.745 1.00 82.32 C +HETATM 144 N HYP A 24 -17.452 24.696 -5.582 1.00 89.17 N +HETATM 145 CA HYP A 24 -18.713 24.973 -4.954 1.00 84.32 C +HETATM 146 C HYP A 24 -19.858 24.733 -5.942 1.00 87.99 C +HETATM 147 O HYP A 24 -19.696 25.074 -7.113 1.00 83.46 O +HETATM 148 CB HYP A 24 -18.705 26.528 -4.689 1.00 87.19 C +HETATM 149 CG HYP A 24 -17.271 26.934 -4.778 1.00 85.80 C +HETATM 150 CD HYP A 24 -16.613 25.874 -5.684 1.00 87.58 C +HETATM 151 OD1 HYP A 24 -16.681 26.840 -3.485 1.00 81.23 O +HETATM 152 OXT HYP A 24 -20.870 24.199 -5.483 1.00 79.62 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_169.txt b/protein_pdb_169.txt new file mode 100644 index 0000000000000000000000000000000000000000..ff7de6c1846cf52eda632053533d7ff2b50ff340 --- /dev/null +++ b/protein_pdb_169.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 9.826 -5.388 -10.256 1.00 87.30 N +ATOM 2 CA GLY A 1 9.369 -4.046 -10.574 1.00 88.93 C +ATOM 3 C GLY A 1 9.315 -3.185 -9.342 1.00 90.72 C +ATOM 4 O GLY A 1 9.641 -3.633 -8.247 1.00 88.12 O +ATOM 5 N PRO A 2 8.896 -1.943 -9.496 1.00 90.02 N +ATOM 6 CA PRO A 2 8.840 -1.034 -8.359 1.00 91.08 C +ATOM 7 C PRO A 2 7.763 -1.431 -7.365 1.00 91.64 C +ATOM 8 O PRO A 2 6.840 -2.171 -7.689 1.00 90.20 O +ATOM 9 CB PRO A 2 8.531 0.322 -8.990 1.00 87.91 C +ATOM 10 CG PRO A 2 7.849 -0.012 -10.259 1.00 84.07 C +ATOM 11 CD PRO A 2 8.448 -1.294 -10.735 1.00 85.79 C +HETATM 12 N HYP A 3 7.918 -0.959 -6.184 1.00 93.56 N +HETATM 13 CA HYP A 3 6.882 -1.175 -5.160 1.00 90.85 C +HETATM 14 C HYP A 3 5.567 -0.625 -5.589 1.00 94.68 C +HETATM 15 O HYP A 3 5.501 0.369 -6.351 1.00 93.98 O +HETATM 16 CB HYP A 3 7.473 -0.425 -3.946 1.00 92.31 C +HETATM 17 CG HYP A 3 8.962 -0.485 -4.165 1.00 89.61 C +HETATM 18 CD HYP A 3 9.079 -0.276 -5.687 1.00 91.63 C +HETATM 19 OD1 HYP A 3 9.407 -1.773 -3.834 1.00 90.83 O +ATOM 20 N GLY A 4 4.520 -1.273 -5.149 1.00 93.92 N +ATOM 21 CA GLY A 4 3.193 -0.805 -5.437 1.00 93.29 C +ATOM 22 C GLY A 4 2.901 0.514 -4.753 1.00 93.81 C +ATOM 23 O GLY A 4 3.681 0.988 -3.921 1.00 93.85 O +ATOM 24 N PRO A 5 1.779 1.118 -5.097 1.00 93.72 N +ATOM 25 CA PRO A 5 1.420 2.394 -4.489 1.00 92.98 C +ATOM 26 C PRO A 5 1.012 2.223 -3.036 1.00 92.93 C +ATOM 27 O PRO A 5 0.715 1.126 -2.580 1.00 92.45 O +ATOM 28 CB PRO A 5 0.246 2.868 -5.346 1.00 91.49 C +ATOM 29 CG PRO A 5 -0.358 1.616 -5.862 1.00 89.55 C +ATOM 30 CD PRO A 5 0.778 0.665 -6.060 1.00 91.90 C +HETATM 31 N HYP A 6 1.030 3.341 -2.313 1.00 93.88 N +HETATM 32 CA HYP A 6 0.572 3.324 -0.946 1.00 94.25 C +HETATM 33 C HYP A 6 -0.854 2.866 -0.823 1.00 95.08 C +HETATM 34 O HYP A 6 -1.683 3.142 -1.716 1.00 93.99 O +HETATM 35 CB HYP A 6 0.742 4.800 -0.523 1.00 92.56 C +HETATM 36 CG HYP A 6 1.849 5.302 -1.416 1.00 91.37 C +HETATM 37 CD HYP A 6 1.537 4.631 -2.731 1.00 92.87 C +HETATM 38 OD1 HYP A 6 3.089 4.837 -0.936 1.00 88.93 O +ATOM 39 N GLY A 7 -1.133 2.131 0.217 1.00 93.31 N +ATOM 40 CA GLY A 7 -2.476 1.696 0.469 1.00 92.46 C +ATOM 41 C GLY A 7 -3.397 2.860 0.769 1.00 93.33 C +ATOM 42 O GLY A 7 -2.965 4.003 0.906 1.00 93.37 O +ATOM 43 N PRO A 8 -4.681 2.570 0.866 1.00 93.61 N +ATOM 44 CA PRO A 8 -5.637 3.625 1.162 1.00 93.25 C +ATOM 45 C PRO A 8 -5.519 4.095 2.600 1.00 93.51 C +ATOM 46 O PRO A 8 -4.975 3.405 3.458 1.00 92.34 O +ATOM 47 CB PRO A 8 -6.986 2.960 0.903 1.00 91.25 C +ATOM 48 CG PRO A 8 -6.733 1.523 1.168 1.00 89.13 C +ATOM 49 CD PRO A 8 -5.318 1.271 0.730 1.00 91.09 C +HETATM 50 N HYP A 9 -6.042 5.279 2.869 1.00 93.05 N +HETATM 51 CA HYP A 9 -6.069 5.798 4.195 1.00 93.97 C +HETATM 52 C HYP A 9 -6.915 4.953 5.099 1.00 94.37 C +HETATM 53 O HYP A 9 -7.885 4.323 4.654 1.00 93.04 O +HETATM 54 CB HYP A 9 -6.659 7.200 4.030 1.00 91.50 C +HETATM 55 CG HYP A 9 -6.367 7.571 2.623 1.00 90.34 C +HETATM 56 CD HYP A 9 -6.487 6.276 1.886 1.00 92.85 C +HETATM 57 OD1 HYP A 9 -5.041 8.022 2.519 1.00 88.27 O +ATOM 58 N GLY A 10 -6.583 4.871 6.339 1.00 92.61 N +ATOM 59 CA GLY A 10 -7.462 4.278 7.320 1.00 90.47 C +ATOM 60 C GLY A 10 -8.712 5.121 7.473 1.00 90.97 C +ATOM 61 O GLY A 10 -8.996 6.003 6.664 1.00 89.80 O +ATOM 62 N ARG A 11 -9.468 4.848 8.522 1.00 91.55 N +ATOM 63 CA ARG A 11 -10.696 5.617 8.727 1.00 92.29 C +ATOM 64 C ARG A 11 -10.420 7.116 8.640 1.00 91.43 C +ATOM 65 O ARG A 11 -11.082 7.824 7.889 1.00 88.95 O +ATOM 66 CB ARG A 11 -11.319 5.256 10.073 1.00 88.93 C +ATOM 67 CG ARG A 11 -11.803 3.824 10.137 1.00 84.04 C +ATOM 68 CD ARG A 11 -12.452 3.511 11.465 1.00 79.75 C +ATOM 69 NE ARG A 11 -12.767 2.102 11.592 1.00 74.84 N +ATOM 70 CZ ARG A 11 -11.913 1.174 12.018 1.00 71.38 C +ATOM 71 NH1 ARG A 11 -10.698 1.516 12.387 1.00 69.68 N +ATOM 72 NH2 ARG A 11 -12.288 -0.089 12.084 1.00 66.85 N +ATOM 73 N ASP A 12 -9.449 7.581 9.389 1.00 93.56 N +ATOM 74 CA ASP A 12 -8.929 8.943 9.286 1.00 94.09 C +ATOM 75 C ASP A 12 -7.425 8.916 9.529 1.00 94.54 C +ATOM 76 O ASP A 12 -6.893 9.721 10.284 1.00 90.72 O +ATOM 77 CB ASP A 12 -9.617 9.877 10.290 1.00 91.60 C +ATOM 78 CG ASP A 12 -10.953 10.411 9.811 1.00 85.53 C +ATOM 79 OD1 ASP A 12 -11.297 10.215 8.636 1.00 84.52 O +ATOM 80 OD2 ASP A 12 -11.647 11.055 10.620 1.00 81.43 O +ATOM 81 N GLY A 13 -6.748 7.984 8.908 1.00 94.88 N +ATOM 82 CA GLY A 13 -5.362 7.731 9.220 1.00 94.12 C +ATOM 83 C GLY A 13 -4.451 7.796 8.019 1.00 94.63 C +ATOM 84 O GLY A 13 -4.874 8.146 6.915 1.00 94.08 O +ATOM 85 N PRO A 14 -3.190 7.472 8.230 1.00 94.74 N +ATOM 86 CA PRO A 14 -2.217 7.538 7.154 1.00 94.38 C +ATOM 87 C PRO A 14 -2.463 6.463 6.107 1.00 94.50 C +ATOM 88 O PRO A 14 -3.156 5.482 6.348 1.00 93.52 O +ATOM 89 CB PRO A 14 -0.879 7.316 7.863 1.00 92.46 C +ATOM 90 CG PRO A 14 -1.232 6.512 9.057 1.00 90.60 C +ATOM 91 CD PRO A 14 -2.589 6.985 9.480 1.00 92.56 C +HETATM 92 N HYP A 15 -1.873 6.698 4.969 1.00 93.68 N +HETATM 93 CA HYP A 15 -1.902 5.697 3.919 1.00 93.57 C +HETATM 94 C HYP A 15 -1.268 4.409 4.355 1.00 94.88 C +HETATM 95 O HYP A 15 -0.363 4.434 5.213 1.00 93.99 O +HETATM 96 CB HYP A 15 -1.141 6.394 2.785 1.00 91.24 C +HETATM 97 CG HYP A 15 -1.345 7.865 3.049 1.00 89.58 C +HETATM 98 CD HYP A 15 -1.282 7.936 4.555 1.00 92.45 C +HETATM 99 OD1 HYP A 15 -2.598 8.265 2.594 1.00 90.23 O +ATOM 100 N GLY A 16 -1.735 3.333 3.814 1.00 94.21 N +ATOM 101 CA GLY A 16 -1.122 2.057 4.074 1.00 94.07 C +ATOM 102 C GLY A 16 0.268 1.981 3.482 1.00 94.70 C +ATOM 103 O GLY A 16 0.713 2.878 2.767 1.00 94.45 O +ATOM 104 N PRO A 17 0.970 0.891 3.785 1.00 93.01 N +ATOM 105 CA PRO A 17 2.316 0.731 3.269 1.00 92.58 C +ATOM 106 C PRO A 17 2.316 0.474 1.775 1.00 92.91 C +ATOM 107 O PRO A 17 1.308 0.075 1.195 1.00 92.32 O +ATOM 108 CB PRO A 17 2.852 -0.468 4.046 1.00 91.03 C +ATOM 109 CG PRO A 17 1.641 -1.240 4.397 1.00 89.28 C +ATOM 110 CD PRO A 17 0.555 -0.239 4.611 1.00 91.36 C +HETATM 111 N HYP A 18 3.464 0.709 1.133 1.00 92.27 N +HETATM 112 CA HYP A 18 3.616 0.391 -0.252 1.00 92.05 C +HETATM 113 C HYP A 18 3.396 -1.068 -0.534 1.00 94.28 C +HETATM 114 O HYP A 18 3.673 -1.920 0.327 1.00 93.36 O +HETATM 115 CB HYP A 18 5.071 0.815 -0.541 1.00 90.97 C +HETATM 116 CG HYP A 18 5.338 1.895 0.458 1.00 90.32 C +HETATM 117 CD HYP A 18 4.614 1.385 1.677 1.00 92.31 C +HETATM 118 OD1 HYP A 18 4.757 3.117 0.036 1.00 90.13 O +ATOM 119 N GLY A 19 2.871 -1.351 -1.676 1.00 90.72 N +ATOM 120 CA GLY A 19 2.707 -2.712 -2.100 1.00 90.45 C +ATOM 121 C GLY A 19 4.042 -3.389 -2.317 1.00 91.22 C +ATOM 122 O GLY A 19 5.091 -2.753 -2.328 1.00 91.58 O +ATOM 123 N PRO A 20 4.008 -4.702 -2.494 1.00 89.90 N +ATOM 124 CA PRO A 20 5.236 -5.435 -2.721 1.00 89.59 C +ATOM 125 C PRO A 20 5.814 -5.130 -4.093 1.00 89.92 C +ATOM 126 O PRO A 20 5.135 -4.608 -4.971 1.00 90.06 O +ATOM 127 CB PRO A 20 4.800 -6.894 -2.607 1.00 87.21 C +ATOM 128 CG PRO A 20 3.370 -6.874 -2.974 1.00 84.49 C +ATOM 129 CD PRO A 20 2.831 -5.557 -2.498 1.00 86.27 C +HETATM 130 N HYP A 21 7.090 -5.451 -4.260 1.00 93.35 N +HETATM 131 CA HYP A 21 7.722 -5.291 -5.530 1.00 91.28 C +HETATM 132 C HYP A 21 7.016 -6.027 -6.650 1.00 93.89 C +HETATM 133 O HYP A 21 6.475 -7.112 -6.416 1.00 93.65 O +HETATM 134 CB HYP A 21 9.129 -5.836 -5.319 1.00 90.51 C +HETATM 135 CG HYP A 21 9.376 -5.640 -3.846 1.00 87.45 C +HETATM 136 CD HYP A 21 8.037 -5.914 -3.228 1.00 92.12 C +HETATM 137 OD1 HYP A 21 9.703 -4.274 -3.578 1.00 88.51 O +ATOM 138 N GLY A 22 6.918 -5.417 -7.798 1.00 91.62 N +ATOM 139 CA GLY A 22 6.338 -6.054 -8.940 1.00 90.15 C +ATOM 140 C GLY A 22 7.201 -7.198 -9.439 1.00 90.60 C +ATOM 141 O GLY A 22 8.272 -7.466 -8.900 1.00 90.25 O +ATOM 142 N PRO A 23 6.752 -7.879 -10.486 1.00 91.34 N +ATOM 143 CA PRO A 23 7.517 -8.998 -11.014 1.00 90.75 C +ATOM 144 C PRO A 23 8.827 -8.529 -11.616 1.00 89.94 C +ATOM 145 O PRO A 23 8.977 -7.376 -12.003 1.00 86.34 O +ATOM 146 CB PRO A 23 6.597 -9.602 -12.065 1.00 86.81 C +ATOM 147 CG PRO A 23 5.720 -8.481 -12.471 1.00 84.35 C +ATOM 148 CD PRO A 23 5.540 -7.636 -11.246 1.00 87.79 C +HETATM 149 N HYP A 24 9.755 -9.361 -11.738 1.00 93.05 N +HETATM 150 CA HYP A 24 11.046 -8.957 -12.302 1.00 85.94 C +HETATM 151 C HYP A 24 10.984 -8.040 -13.452 1.00 90.18 C +HETATM 152 O HYP A 24 11.769 -8.093 -14.384 1.00 83.57 O +HETATM 153 CB HYP A 24 11.744 -10.292 -12.554 1.00 87.23 C +HETATM 154 CG HYP A 24 11.085 -11.307 -11.664 1.00 87.45 C +HETATM 155 CD HYP A 24 9.662 -10.809 -11.524 1.00 90.36 C +HETATM 156 OD1 HYP A 24 11.665 -11.276 -10.361 1.00 85.41 O +HETATM 157 OXT HYP A 24 10.112 -7.177 -13.407 1.00 83.25 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_17.txt b/protein_pdb_17.txt new file mode 100644 index 0000000000000000000000000000000000000000..89ca0d6d14c3b637d013cbb9ac7f2ac2ec90f75f --- /dev/null +++ b/protein_pdb_17.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 33.316 -6.616 9.763 1.00 82.24 N +ATOM 2 CA GLY A 1 33.022 -6.649 8.338 1.00 86.00 C +ATOM 3 C GLY A 1 32.099 -5.523 7.931 1.00 86.80 C +ATOM 4 O GLY A 1 31.556 -4.819 8.789 1.00 83.84 O +ATOM 5 N PRO A 2 31.905 -5.324 6.655 1.00 83.91 N +ATOM 6 CA PRO A 2 31.021 -4.261 6.181 1.00 88.07 C +ATOM 7 C PRO A 2 29.563 -4.573 6.484 1.00 87.91 C +ATOM 8 O PRO A 2 29.195 -5.718 6.738 1.00 86.11 O +ATOM 9 CB PRO A 2 31.278 -4.222 4.676 1.00 85.42 C +ATOM 10 CG PRO A 2 31.683 -5.627 4.351 1.00 81.51 C +ATOM 11 CD PRO A 2 32.469 -6.102 5.548 1.00 82.15 C +HETATM 12 N HYP A 3 28.812 -3.588 6.495 1.00 85.97 N +HETATM 13 CA HYP A 3 27.339 -3.736 6.627 1.00 86.75 C +HETATM 14 C HYP A 3 26.778 -4.634 5.581 1.00 86.17 C +HETATM 15 O HYP A 3 27.290 -4.697 4.451 1.00 87.28 O +HETATM 16 CB HYP A 3 26.839 -2.330 6.570 1.00 83.07 C +HETATM 17 CG HYP A 3 28.009 -1.485 7.053 1.00 83.33 C +HETATM 18 CD HYP A 3 29.196 -2.224 6.418 1.00 85.75 C +HETATM 19 OD1 HYP A 3 28.143 -1.536 8.440 1.00 87.79 O +ATOM 20 N GLY A 4 25.717 -5.381 5.927 1.00 90.34 N +ATOM 21 CA GLY A 4 25.066 -6.257 4.984 1.00 89.45 C +ATOM 22 C GLY A 4 24.347 -5.471 3.900 1.00 88.82 C +ATOM 23 O GLY A 4 24.223 -4.244 3.977 1.00 87.33 O +ATOM 24 N PRO A 5 23.862 -6.166 2.883 1.00 90.31 N +ATOM 25 CA PRO A 5 23.155 -5.494 1.803 1.00 89.67 C +ATOM 26 C PRO A 5 21.807 -4.953 2.265 1.00 89.50 C +ATOM 27 O PRO A 5 21.256 -5.402 3.262 1.00 88.18 O +ATOM 28 CB PRO A 5 22.981 -6.591 0.752 1.00 87.89 C +ATOM 29 CG PRO A 5 22.955 -7.850 1.564 1.00 86.58 C +ATOM 30 CD PRO A 5 23.919 -7.609 2.696 1.00 87.63 C +HETATM 31 N HYP A 6 21.333 -3.990 1.552 1.00 86.47 N +HETATM 32 CA HYP A 6 19.972 -3.482 1.821 1.00 89.55 C +HETATM 33 C HYP A 6 18.949 -4.587 1.727 1.00 88.29 C +HETATM 34 O HYP A 6 19.117 -5.545 0.946 1.00 87.99 O +HETATM 35 CB HYP A 6 19.795 -2.454 0.693 1.00 86.96 C +HETATM 36 CG HYP A 6 21.198 -1.993 0.383 1.00 83.97 C +HETATM 37 CD HYP A 6 22.006 -3.285 0.523 1.00 86.14 C +HETATM 38 OD1 HYP A 6 21.642 -1.059 1.337 1.00 86.12 O +ATOM 39 N GLY A 7 17.892 -4.465 2.542 1.00 91.51 N +ATOM 40 CA GLY A 7 16.812 -5.416 2.506 1.00 90.26 C +ATOM 41 C GLY A 7 16.013 -5.305 1.223 1.00 90.30 C +ATOM 42 O GLY A 7 16.199 -4.378 0.433 1.00 89.30 O +ATOM 43 N PRO A 8 15.102 -6.236 1.005 1.00 87.90 N +ATOM 44 CA PRO A 8 14.279 -6.204 -0.197 1.00 87.66 C +ATOM 45 C PRO A 8 13.271 -5.066 -0.144 1.00 87.81 C +ATOM 46 O PRO A 8 12.963 -4.543 0.919 1.00 85.55 O +ATOM 47 CB PRO A 8 13.586 -7.565 -0.193 1.00 85.36 C +ATOM 48 CG PRO A 8 13.514 -7.916 1.252 1.00 85.20 C +ATOM 49 CD PRO A 8 14.780 -7.373 1.860 1.00 85.92 C +HETATM 50 N HYP A 9 12.754 -4.668 -1.287 1.00 87.88 N +HETATM 51 CA HYP A 9 11.678 -3.691 -1.331 1.00 89.79 C +HETATM 52 C HYP A 9 10.516 -4.137 -0.516 1.00 88.89 C +HETATM 53 O HYP A 9 10.251 -5.354 -0.389 1.00 88.72 O +HETATM 54 CB HYP A 9 11.364 -3.692 -2.872 1.00 88.46 C +HETATM 55 CG HYP A 9 12.666 -4.042 -3.510 1.00 86.66 C +HETATM 56 CD HYP A 9 13.239 -5.082 -2.561 1.00 88.79 C +HETATM 57 OD1 HYP A 9 13.547 -2.916 -3.532 1.00 86.19 O +ATOM 58 N GLY A 10 9.768 -3.156 0.022 1.00 90.80 N +ATOM 59 CA GLY A 10 8.574 -3.450 0.779 1.00 89.35 C +ATOM 60 C GLY A 10 7.500 -4.079 -0.087 1.00 89.74 C +ATOM 61 O GLY A 10 7.611 -4.110 -1.315 1.00 88.39 O +ATOM 62 N PRO A 11 6.444 -4.585 0.541 1.00 89.24 N +ATOM 63 CA PRO A 11 5.364 -5.219 -0.210 1.00 88.98 C +ATOM 64 C PRO A 11 4.563 -4.193 -1.005 1.00 89.24 C +ATOM 65 O PRO A 11 4.555 -3.011 -0.682 1.00 86.99 O +ATOM 66 CB PRO A 11 4.518 -5.870 0.871 1.00 87.15 C +ATOM 67 CG PRO A 11 4.747 -5.015 2.066 1.00 87.18 C +ATOM 68 CD PRO A 11 6.193 -4.592 1.985 1.00 87.55 C +HETATM 69 N HYP A 12 3.885 -4.630 -2.014 1.00 90.07 N +HETATM 70 CA HYP A 12 2.963 -3.768 -2.759 1.00 88.48 C +HETATM 71 C HYP A 12 1.887 -3.216 -1.857 1.00 91.35 C +HETATM 72 O HYP A 12 1.519 -3.842 -0.842 1.00 89.53 O +HETATM 73 CB HYP A 12 2.345 -4.822 -3.755 1.00 87.56 C +HETATM 74 CG HYP A 12 3.420 -5.830 -3.937 1.00 84.93 C +HETATM 75 CD HYP A 12 4.010 -5.941 -2.557 1.00 89.26 C +HETATM 76 OD1 HYP A 12 4.441 -5.361 -4.805 1.00 87.35 O +ATOM 77 N GLY A 13 1.418 -2.032 -2.189 1.00 92.12 N +ATOM 78 CA GLY A 13 0.350 -1.434 -1.434 1.00 90.67 C +ATOM 79 C GLY A 13 -0.938 -2.233 -1.568 1.00 91.21 C +ATOM 80 O GLY A 13 -1.034 -3.149 -2.384 1.00 90.87 O +ATOM 81 N PRO A 14 -1.935 -1.878 -0.767 1.00 90.73 N +ATOM 82 CA PRO A 14 -3.208 -2.590 -0.834 1.00 90.97 C +ATOM 83 C PRO A 14 -3.955 -2.262 -2.118 1.00 91.02 C +ATOM 84 O PRO A 14 -3.710 -1.241 -2.746 1.00 89.28 O +ATOM 85 CB PRO A 14 -3.954 -2.085 0.401 1.00 89.60 C +ATOM 86 CG PRO A 14 -3.401 -0.724 0.621 1.00 88.98 C +ATOM 87 CD PRO A 14 -1.942 -0.827 0.248 1.00 89.98 C +HETATM 88 N HYP A 15 -4.893 -3.123 -2.515 1.00 86.98 N +HETATM 89 CA HYP A 15 -5.742 -2.831 -3.629 1.00 89.95 C +HETATM 90 C HYP A 15 -6.539 -1.547 -3.435 1.00 86.75 C +HETATM 91 O HYP A 15 -6.845 -1.167 -2.302 1.00 88.19 O +HETATM 92 CB HYP A 15 -6.694 -4.061 -3.629 1.00 85.98 C +HETATM 93 CG HYP A 15 -5.859 -5.139 -3.039 1.00 82.95 C +HETATM 94 CD HYP A 15 -5.096 -4.414 -1.970 1.00 87.35 C +HETATM 95 OD1 HYP A 15 -4.931 -5.655 -3.968 1.00 88.44 O +ATOM 96 N GLY A 16 -6.794 -0.859 -4.511 1.00 90.54 N +ATOM 97 CA GLY A 16 -7.573 0.344 -4.442 1.00 88.69 C +ATOM 98 C GLY A 16 -9.000 0.054 -3.994 1.00 89.73 C +ATOM 99 O GLY A 16 -9.427 -1.106 -3.950 1.00 89.53 O +ATOM 100 N PRO A 17 -9.739 1.107 -3.674 1.00 86.52 N +ATOM 101 CA PRO A 17 -11.120 0.913 -3.240 1.00 87.76 C +ATOM 102 C PRO A 17 -12.006 0.482 -4.395 1.00 87.32 C +ATOM 103 O PRO A 17 -11.680 0.690 -5.559 1.00 86.11 O +ATOM 104 CB PRO A 17 -11.514 2.290 -2.708 1.00 86.04 C +ATOM 105 CG PRO A 17 -10.663 3.224 -3.488 1.00 83.80 C +ATOM 106 CD PRO A 17 -9.349 2.510 -3.678 1.00 85.11 C +HETATM 107 N HYP A 18 -13.138 -0.124 -4.109 1.00 85.25 N +HETATM 108 CA HYP A 18 -14.122 -0.443 -5.103 1.00 90.27 C +HETATM 109 C HYP A 18 -14.561 0.765 -5.880 1.00 86.15 C +HETATM 110 O HYP A 18 -14.558 1.892 -5.363 1.00 88.93 O +HETATM 111 CB HYP A 18 -15.260 -1.018 -4.284 1.00 88.19 C +HETATM 112 CG HYP A 18 -14.582 -1.602 -3.101 1.00 84.21 C +HETATM 113 CD HYP A 18 -13.481 -0.602 -2.830 1.00 86.79 C +HETATM 114 OD1 HYP A 18 -13.985 -2.850 -3.397 1.00 89.42 O +ATOM 115 N GLY A 19 -14.884 0.577 -7.147 1.00 89.62 N +ATOM 116 CA GLY A 19 -15.376 1.650 -7.965 1.00 88.36 C +ATOM 117 C GLY A 19 -16.724 2.151 -7.478 1.00 88.42 C +ATOM 118 O GLY A 19 -17.346 1.547 -6.594 1.00 87.23 O +ATOM 119 N PRO A 20 -17.195 3.248 -8.050 1.00 82.81 N +ATOM 120 CA PRO A 20 -18.479 3.797 -7.642 1.00 83.08 C +ATOM 121 C PRO A 20 -19.630 2.920 -8.097 1.00 82.31 C +ATOM 122 O PRO A 20 -19.487 2.093 -8.989 1.00 80.81 O +ATOM 123 CB PRO A 20 -18.499 5.162 -8.328 1.00 79.98 C +ATOM 124 CG PRO A 20 -17.656 4.963 -9.539 1.00 76.50 C +ATOM 125 CD PRO A 20 -16.559 4.025 -9.111 1.00 78.48 C +HETATM 126 N HYP A 21 -20.810 3.060 -7.507 1.00 89.16 N +HETATM 127 CA HYP A 21 -21.973 2.366 -7.908 1.00 89.49 C +HETATM 128 C HYP A 21 -22.342 2.608 -9.360 1.00 90.49 C +HETATM 129 O HYP A 21 -22.051 3.684 -9.883 1.00 89.14 O +HETATM 130 CB HYP A 21 -23.067 2.948 -7.002 1.00 89.53 C +HETATM 131 CG HYP A 21 -22.330 3.367 -5.775 1.00 87.68 C +HETATM 132 CD HYP A 21 -21.018 3.884 -6.352 1.00 89.61 C +HETATM 133 OD1 HYP A 21 -22.044 2.257 -4.942 1.00 88.03 O +ATOM 134 N GLY A 22 -22.925 1.654 -10.017 1.00 85.04 N +ATOM 135 CA GLY A 22 -23.360 1.816 -11.377 1.00 83.28 C +ATOM 136 C GLY A 22 -24.431 2.891 -11.495 1.00 82.20 C +ATOM 137 O GLY A 22 -24.965 3.368 -10.494 1.00 80.11 O +ATOM 138 N PRO A 23 -24.774 3.258 -12.725 1.00 81.63 N +ATOM 139 CA PRO A 23 -25.785 4.292 -12.929 1.00 82.98 C +ATOM 140 C PRO A 23 -27.165 3.787 -12.557 1.00 82.14 C +ATOM 141 O PRO A 23 -27.420 2.584 -12.531 1.00 78.22 O +ATOM 142 CB PRO A 23 -25.672 4.607 -14.416 1.00 77.53 C +ATOM 143 CG PRO A 23 -25.192 3.333 -15.009 1.00 72.37 C +ATOM 144 CD PRO A 23 -24.258 2.745 -13.993 1.00 72.88 C +HETATM 145 N HYP A 24 -28.094 4.648 -12.301 1.00 85.29 N +HETATM 146 CA HYP A 24 -29.432 4.187 -12.044 1.00 85.01 C +HETATM 147 C HYP A 24 -29.967 3.569 -13.331 1.00 85.56 C +HETATM 148 O HYP A 24 -30.600 2.590 -13.210 1.00 82.86 O +HETATM 149 CB HYP A 24 -30.230 5.519 -11.835 1.00 86.59 C +HETATM 150 CG HYP A 24 -29.222 6.537 -11.442 1.00 86.16 C +HETATM 151 CD HYP A 24 -27.940 6.073 -12.137 1.00 84.67 C +HETATM 152 OD1 HYP A 24 -29.005 6.446 -10.050 1.00 81.81 O +HETATM 153 OXT HYP A 24 -29.678 4.136 -14.412 1.00 78.57 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_170.txt b/protein_pdb_170.txt new file mode 100644 index 0000000000000000000000000000000000000000..3caafc97695402fb1a2c20e0ceb9e14bad0378da --- /dev/null +++ b/protein_pdb_170.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 20.766 -26.825 -9.157 1.00 92.74 N +ATOM 2 CA GLY A 1 20.945 -25.568 -9.871 1.00 93.93 C +ATOM 3 C GLY A 1 20.895 -24.381 -8.936 1.00 95.03 C +ATOM 4 O GLY A 1 20.584 -24.532 -7.753 1.00 93.48 O +ATOM 5 N PRO A 2 21.178 -23.187 -9.413 1.00 95.94 N +ATOM 6 CA PRO A 2 21.144 -21.995 -8.572 1.00 96.38 C +ATOM 7 C PRO A 2 19.709 -21.619 -8.209 1.00 96.73 C +ATOM 8 O PRO A 2 18.765 -22.009 -8.884 1.00 95.62 O +ATOM 9 CB PRO A 2 21.801 -20.918 -9.433 1.00 94.79 C +ATOM 10 CG PRO A 2 21.521 -21.367 -10.823 1.00 92.59 C +ATOM 11 CD PRO A 2 21.581 -22.871 -10.782 1.00 94.51 C +HETATM 12 N HYP A 3 19.557 -20.878 -7.149 1.00 96.87 N +HETATM 13 CA HYP A 3 18.272 -20.346 -6.742 1.00 96.46 C +HETATM 14 C HYP A 3 17.628 -19.462 -7.796 1.00 97.38 C +HETATM 15 O HYP A 3 18.331 -18.726 -8.515 1.00 96.65 O +HETATM 16 CB HYP A 3 18.600 -19.535 -5.515 1.00 96.21 C +HETATM 17 CG HYP A 3 19.868 -20.105 -4.991 1.00 95.60 C +HETATM 18 CD HYP A 3 20.611 -20.482 -6.263 1.00 96.44 C +HETATM 19 OD1 HYP A 3 19.640 -21.248 -4.225 1.00 95.63 O +ATOM 20 N GLY A 4 16.297 -19.538 -7.878 1.00 97.80 N +ATOM 21 CA GLY A 4 15.575 -18.694 -8.796 1.00 97.65 C +ATOM 22 C GLY A 4 15.547 -17.250 -8.294 1.00 97.81 C +ATOM 23 O GLY A 4 15.927 -16.972 -7.155 1.00 97.58 O +ATOM 24 N PRO A 5 15.081 -16.340 -9.130 1.00 97.44 N +ATOM 25 CA PRO A 5 15.026 -14.935 -8.729 1.00 97.36 C +ATOM 26 C PRO A 5 13.909 -14.689 -7.724 1.00 97.54 C +ATOM 27 O PRO A 5 12.957 -15.455 -7.633 1.00 97.12 O +ATOM 28 CB PRO A 5 14.777 -14.201 -10.044 1.00 96.36 C +ATOM 29 CG PRO A 5 14.012 -15.194 -10.848 1.00 94.91 C +ATOM 30 CD PRO A 5 14.612 -16.536 -10.499 1.00 96.63 C +HETATM 31 N HYP A 6 14.014 -13.608 -6.969 1.00 97.78 N +HETATM 32 CA HYP A 6 12.924 -13.163 -6.096 1.00 97.28 C +HETATM 33 C HYP A 6 11.662 -12.836 -6.819 1.00 98.07 C +HETATM 34 O HYP A 6 11.695 -12.408 -7.977 1.00 97.38 O +HETATM 35 CB HYP A 6 13.515 -11.919 -5.420 1.00 96.32 C +HETATM 36 CG HYP A 6 14.972 -12.103 -5.484 1.00 95.27 C +HETATM 37 CD HYP A 6 15.161 -12.811 -6.813 1.00 96.78 C +HETATM 38 OD1 HYP A 6 15.424 -12.931 -4.456 1.00 93.72 O +ATOM 39 N GLY A 7 10.524 -13.023 -6.146 1.00 97.82 N +ATOM 40 CA GLY A 7 9.246 -12.682 -6.732 1.00 97.75 C +ATOM 41 C GLY A 7 9.079 -11.178 -6.864 1.00 98.00 C +ATOM 42 O GLY A 7 9.906 -10.398 -6.380 1.00 97.76 O +ATOM 43 N PRO A 8 8.007 -10.756 -7.517 1.00 97.84 N +ATOM 44 CA PRO A 8 7.763 -9.325 -7.700 1.00 97.85 C +ATOM 45 C PRO A 8 7.369 -8.651 -6.399 1.00 98.02 C +ATOM 46 O PRO A 8 6.898 -9.291 -5.461 1.00 97.61 O +ATOM 47 CB PRO A 8 6.623 -9.295 -8.718 1.00 97.23 C +ATOM 48 CG PRO A 8 5.897 -10.566 -8.459 1.00 96.15 C +ATOM 49 CD PRO A 8 6.959 -11.575 -8.119 1.00 97.41 C +HETATM 50 N HYP A 9 7.532 -7.371 -6.299 1.00 98.07 N +HETATM 51 CA HYP A 9 7.051 -6.564 -5.188 1.00 97.87 C +HETATM 52 C HYP A 9 5.577 -6.640 -5.044 1.00 98.28 C +HETATM 53 O HYP A 9 4.850 -6.778 -6.009 1.00 97.59 O +HETATM 54 CB HYP A 9 7.481 -5.118 -5.545 1.00 96.82 C +HETATM 55 CG HYP A 9 8.648 -5.324 -6.420 1.00 96.28 C +HETATM 56 CD HYP A 9 8.305 -6.562 -7.172 1.00 97.15 C +HETATM 57 OD1 HYP A 9 9.812 -5.589 -5.654 1.00 94.18 O +ATOM 58 N GLY A 10 5.105 -6.511 -3.780 1.00 97.81 N +ATOM 59 CA GLY A 10 3.686 -6.500 -3.511 1.00 97.65 C +ATOM 60 C GLY A 10 3.024 -5.252 -4.070 1.00 97.79 C +ATOM 61 O GLY A 10 3.686 -4.286 -4.454 1.00 97.23 O +ATOM 62 N THR A 11 1.685 -5.276 -4.095 1.00 97.99 N +ATOM 63 CA THR A 11 0.937 -4.128 -4.592 1.00 97.61 C +ATOM 64 C THR A 11 0.873 -3.037 -3.527 1.00 97.81 C +ATOM 65 O THR A 11 1.013 -3.313 -2.331 1.00 97.58 O +ATOM 66 CB THR A 11 -0.488 -4.544 -4.979 1.00 96.48 C +ATOM 67 OG1 THR A 11 -1.144 -5.082 -3.845 1.00 93.29 O +ATOM 68 CG2 THR A 11 -0.456 -5.574 -6.089 1.00 91.75 C +ATOM 69 N PRO A 12 0.644 -1.780 -3.928 1.00 97.80 N +ATOM 70 CA PRO A 12 0.518 -0.709 -2.938 1.00 97.77 C +ATOM 71 C PRO A 12 -0.679 -0.959 -2.030 1.00 97.79 C +ATOM 72 O PRO A 12 -1.667 -1.578 -2.436 1.00 96.93 O +ATOM 73 CB PRO A 12 0.312 0.555 -3.779 1.00 96.73 C +ATOM 74 CG PRO A 12 0.912 0.223 -5.103 1.00 95.18 C +ATOM 75 CD PRO A 12 0.611 -1.234 -5.298 1.00 96.76 C +ATOM 76 N GLY A 13 -0.574 -0.472 -0.806 1.00 97.77 N +ATOM 77 CA GLY A 13 -1.681 -0.592 0.120 1.00 97.67 C +ATOM 78 C GLY A 13 -2.837 0.308 -0.281 1.00 97.99 C +ATOM 79 O GLY A 13 -2.701 1.147 -1.171 1.00 97.73 O +ATOM 80 N PRO A 14 -3.989 0.155 0.377 1.00 97.71 N +ATOM 81 CA PRO A 14 -5.160 0.963 0.050 1.00 97.68 C +ATOM 82 C PRO A 14 -5.003 2.402 0.528 1.00 97.81 C +ATOM 83 O PRO A 14 -4.185 2.695 1.397 1.00 97.41 O +ATOM 84 CB PRO A 14 -6.295 0.255 0.785 1.00 96.77 C +ATOM 85 CG PRO A 14 -5.624 -0.367 1.956 1.00 95.46 C +ATOM 86 CD PRO A 14 -4.275 -0.811 1.447 1.00 96.88 C +HETATM 87 N HYP A 15 -5.781 3.330 0.010 1.00 97.96 N +HETATM 88 CA HYP A 15 -5.846 4.695 0.450 1.00 97.68 C +HETATM 89 C HYP A 15 -6.257 4.840 1.887 1.00 98.18 C +HETATM 90 O HYP A 15 -6.976 3.988 2.405 1.00 97.41 O +HETATM 91 CB HYP A 15 -6.891 5.293 -0.472 1.00 97.05 C +HETATM 92 CG HYP A 15 -6.809 4.448 -1.693 1.00 96.44 C +HETATM 93 CD HYP A 15 -6.559 3.097 -1.131 1.00 97.17 C +HETATM 94 OD1 HYP A 15 -5.734 4.813 -2.518 1.00 95.77 O +ATOM 95 N GLY A 16 -5.778 5.830 2.549 1.00 97.81 N +ATOM 96 CA GLY A 16 -6.166 6.082 3.914 1.00 97.65 C +ATOM 97 C GLY A 16 -7.628 6.492 4.005 1.00 97.93 C +ATOM 98 O GLY A 16 -8.289 6.726 2.986 1.00 97.73 O +ATOM 99 N PRO A 17 -8.142 6.598 5.225 1.00 97.70 N +ATOM 100 CA PRO A 17 -9.547 6.961 5.410 1.00 97.58 C +ATOM 101 C PRO A 17 -9.796 8.427 5.077 1.00 97.62 C +ATOM 102 O PRO A 17 -8.889 9.249 5.110 1.00 97.07 O +ATOM 103 CB PRO A 17 -9.789 6.667 6.890 1.00 96.67 C +ATOM 104 CG PRO A 17 -8.458 6.870 7.513 1.00 95.49 C +ATOM 105 CD PRO A 17 -7.460 6.360 6.501 1.00 97.01 C +HETATM 106 N HYP A 18 -11.005 8.801 4.798 1.00 97.69 N +HETATM 107 CA HYP A 18 -11.433 10.161 4.579 1.00 97.18 C +HETATM 108 C HYP A 18 -11.268 11.008 5.824 1.00 97.65 C +HETATM 109 O HYP A 18 -11.370 10.504 6.947 1.00 97.07 O +HETATM 110 CB HYP A 18 -12.924 10.008 4.304 1.00 96.62 C +HETATM 111 CG HYP A 18 -13.084 8.630 3.790 1.00 96.13 C +HETATM 112 CD HYP A 18 -12.052 7.877 4.554 1.00 96.93 C +HETATM 113 OD1 HYP A 18 -12.779 8.571 2.416 1.00 95.09 O +ATOM 114 N GLY A 19 -11.004 12.274 5.616 1.00 97.20 N +ATOM 115 CA GLY A 19 -10.905 13.188 6.717 1.00 97.09 C +ATOM 116 C GLY A 19 -12.267 13.411 7.363 1.00 97.21 C +ATOM 117 O GLY A 19 -13.292 12.959 6.850 1.00 96.90 O +ATOM 118 N PRO A 20 -12.296 14.131 8.475 1.00 96.61 N +ATOM 119 CA PRO A 20 -13.556 14.376 9.172 1.00 96.35 C +ATOM 120 C PRO A 20 -14.430 15.358 8.410 1.00 96.41 C +ATOM 121 O PRO A 20 -13.956 16.128 7.583 1.00 95.55 O +ATOM 122 CB PRO A 20 -13.102 14.947 10.520 1.00 95.10 C +ATOM 123 CG PRO A 20 -11.809 15.598 10.204 1.00 93.68 C +ATOM 124 CD PRO A 20 -11.152 14.720 9.174 1.00 95.69 C +HETATM 125 N HYP A 21 -15.714 15.403 8.701 1.00 96.66 N +HETATM 126 CA HYP A 21 -16.651 16.318 8.103 1.00 95.88 C +HETATM 127 C HYP A 21 -16.359 17.771 8.445 1.00 97.06 C +HETATM 128 O HYP A 21 -15.874 18.028 9.541 1.00 96.09 O +HETATM 129 CB HYP A 21 -17.992 15.970 8.764 1.00 95.44 C +HETATM 130 CG HYP A 21 -17.840 14.548 9.180 1.00 94.72 C +HETATM 131 CD HYP A 21 -16.384 14.447 9.536 1.00 95.44 C +HETATM 132 OD1 HYP A 21 -18.083 13.679 8.090 1.00 93.21 O +ATOM 133 N GLY A 22 -16.612 18.653 7.517 1.00 95.21 N +ATOM 134 CA GLY A 22 -16.455 20.055 7.777 1.00 94.86 C +ATOM 135 C GLY A 22 -17.528 20.540 8.746 1.00 95.24 C +ATOM 136 O GLY A 22 -18.461 19.814 9.077 1.00 94.29 O +ATOM 137 N PRO A 23 -17.444 21.811 9.182 1.00 94.41 N +ATOM 138 CA PRO A 23 -18.433 22.342 10.114 1.00 94.36 C +ATOM 139 C PRO A 23 -19.763 22.566 9.426 1.00 94.13 C +ATOM 140 O PRO A 23 -19.822 22.750 8.212 1.00 91.19 O +ATOM 141 CB PRO A 23 -17.805 23.656 10.583 1.00 92.03 C +ATOM 142 CG PRO A 23 -16.943 24.061 9.440 1.00 90.24 C +ATOM 143 CD PRO A 23 -16.391 22.778 8.875 1.00 92.78 C +HETATM 144 N HYP A 24 -20.845 22.618 10.176 1.00 94.57 N +HETATM 145 CA HYP A 24 -22.157 22.882 9.562 1.00 92.42 C +HETATM 146 C HYP A 24 -22.245 24.380 9.163 1.00 93.29 C +HETATM 147 O HYP A 24 -23.173 24.814 8.597 1.00 89.80 O +HETATM 148 CB HYP A 24 -23.145 22.721 10.756 1.00 92.28 C +HETATM 149 CG HYP A 24 -22.437 21.918 11.804 1.00 91.67 C +HETATM 150 CD HYP A 24 -20.956 22.230 11.564 1.00 92.77 C +HETATM 151 OD1 HYP A 24 -22.602 20.558 11.505 1.00 87.59 O +HETATM 152 OXT HYP A 24 -21.323 25.090 9.479 1.00 84.07 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_171.txt b/protein_pdb_171.txt new file mode 100644 index 0000000000000000000000000000000000000000..e9801754fb3f1d536efa2cdce47a14a1a2996db4 --- /dev/null +++ b/protein_pdb_171.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -2.951 -4.075 3.816 1.00 74.04 N +ATOM 2 CA GLY A 1 -3.462 -4.017 2.458 1.00 77.24 C +ATOM 3 C GLY A 1 -2.346 -4.135 1.450 1.00 79.02 C +ATOM 4 O GLY A 1 -1.173 -4.189 1.819 1.00 74.41 O +ATOM 5 N PRO A 2 -2.685 -4.174 0.163 1.00 76.03 N +ATOM 6 CA PRO A 2 -1.678 -4.292 -0.884 1.00 79.49 C +ATOM 7 C PRO A 2 -0.906 -2.995 -1.061 1.00 79.61 C +ATOM 8 O PRO A 2 -1.307 -1.947 -0.568 1.00 77.41 O +ATOM 9 CB PRO A 2 -2.502 -4.632 -2.124 1.00 74.96 C +ATOM 10 CG PRO A 2 -3.806 -3.961 -1.872 1.00 70.30 C +ATOM 11 CD PRO A 2 -4.037 -4.111 -0.391 1.00 70.46 C +HETATM 12 N HYP A 3 0.193 -3.033 -1.732 1.00 77.85 N +HETATM 13 CA HYP A 3 0.969 -1.877 -2.069 1.00 79.95 C +HETATM 14 C HYP A 3 0.144 -0.792 -2.790 1.00 78.69 C +HETATM 15 O HYP A 3 -0.809 -1.109 -3.544 1.00 81.09 O +HETATM 16 CB HYP A 3 2.091 -2.484 -2.895 1.00 76.92 C +HETATM 17 CG HYP A 3 2.269 -3.849 -2.293 1.00 74.38 C +HETATM 18 CD HYP A 3 0.837 -4.272 -2.109 1.00 77.35 C +HETATM 19 OD1 HYP A 3 2.919 -3.804 -1.047 1.00 78.31 O +ATOM 20 N GLY A 4 0.455 0.405 -2.513 1.00 85.60 N +ATOM 21 CA GLY A 4 -0.250 1.501 -3.110 1.00 84.18 C +ATOM 22 C GLY A 4 0.043 1.602 -4.595 1.00 83.71 C +ATOM 23 O GLY A 4 0.769 0.772 -5.152 1.00 82.41 O +ATOM 24 N PRO A 5 -0.514 2.609 -5.238 1.00 85.20 N +ATOM 25 CA PRO A 5 -0.301 2.779 -6.667 1.00 84.76 C +ATOM 26 C PRO A 5 1.135 3.177 -6.965 1.00 84.54 C +ATOM 27 O PRO A 5 1.859 3.636 -6.086 1.00 82.13 O +ATOM 28 CB PRO A 5 -1.281 3.886 -7.037 1.00 81.55 C +ATOM 29 CG PRO A 5 -1.394 4.685 -5.795 1.00 80.38 C +ATOM 30 CD PRO A 5 -1.348 3.671 -4.684 1.00 82.30 C +HETATM 31 N HYP A 6 1.520 3.053 -8.216 1.00 84.56 N +HETATM 32 CA HYP A 6 2.834 3.433 -8.615 1.00 87.76 C +HETATM 33 C HYP A 6 3.114 4.928 -8.374 1.00 85.09 C +HETATM 34 O HYP A 6 2.202 5.770 -8.580 1.00 85.20 O +HETATM 35 CB HYP A 6 2.876 3.085 -10.099 1.00 84.47 C +HETATM 36 CG HYP A 6 1.917 1.920 -10.196 1.00 82.35 C +HETATM 37 CD HYP A 6 0.816 2.320 -9.242 1.00 85.50 C +HETATM 38 OD1 HYP A 6 2.486 0.719 -9.759 1.00 81.47 O +ATOM 39 N GLY A 7 4.266 5.200 -7.818 1.00 86.80 N +ATOM 40 CA GLY A 7 4.630 6.560 -7.517 1.00 84.36 C +ATOM 41 C GLY A 7 5.053 7.288 -8.776 1.00 85.22 C +ATOM 42 O GLY A 7 4.922 6.769 -9.891 1.00 85.11 O +ATOM 43 N PRO A 8 5.588 8.481 -8.624 1.00 85.40 N +ATOM 44 CA PRO A 8 6.081 9.243 -9.768 1.00 85.16 C +ATOM 45 C PRO A 8 7.233 8.498 -10.429 1.00 85.43 C +ATOM 46 O PRO A 8 7.804 7.578 -9.847 1.00 85.07 O +ATOM 47 CB PRO A 8 6.563 10.553 -9.142 1.00 82.84 C +ATOM 48 CG PRO A 8 5.838 10.644 -7.850 1.00 82.72 C +ATOM 49 CD PRO A 8 5.719 9.221 -7.377 1.00 83.34 C +HETATM 50 N HYP A 9 7.579 8.931 -11.668 1.00 76.25 N +HETATM 51 CA HYP A 9 8.700 8.371 -12.317 1.00 84.69 C +HETATM 52 C HYP A 9 9.897 8.252 -11.483 1.00 74.45 C +HETATM 53 O HYP A 9 10.202 9.227 -10.732 1.00 80.02 O +HETATM 54 CB HYP A 9 8.841 9.223 -13.599 1.00 79.80 C +HETATM 55 CG HYP A 9 7.413 9.698 -13.854 1.00 78.11 C +HETATM 56 CD HYP A 9 6.849 9.866 -12.462 1.00 80.11 C +HETATM 57 OD1 HYP A 9 6.636 8.711 -14.517 1.00 77.80 O +ATOM 58 N GLY A 10 10.563 7.052 -11.329 1.00 83.76 N +ATOM 59 CA GLY A 10 11.725 6.812 -10.515 1.00 81.09 C +ATOM 60 C GLY A 10 11.426 6.569 -9.048 1.00 81.71 C +ATOM 61 O GLY A 10 12.350 6.385 -8.260 1.00 79.79 O +ATOM 62 N GLN A 11 10.146 6.560 -8.654 1.00 83.19 N +ATOM 63 CA GLN A 11 9.744 6.385 -7.267 1.00 82.78 C +ATOM 64 C GLN A 11 8.764 5.223 -7.178 1.00 80.61 C +ATOM 65 O GLN A 11 7.878 5.082 -8.014 1.00 75.87 O +ATOM 66 CB GLN A 11 9.042 7.637 -6.730 1.00 78.50 C +ATOM 67 CG GLN A 11 9.835 8.930 -6.878 1.00 74.43 C +ATOM 68 CD GLN A 11 11.013 9.022 -5.940 1.00 69.89 C +ATOM 69 OE1 GLN A 11 10.962 8.526 -4.819 1.00 68.49 O +ATOM 70 NE2 GLN A 11 12.073 9.666 -6.382 1.00 65.94 N +ATOM 71 N GLN A 12 8.919 4.405 -6.150 1.00 80.70 N +ATOM 72 CA GLN A 12 7.959 3.350 -5.899 1.00 81.21 C +ATOM 73 C GLN A 12 6.802 3.960 -5.121 1.00 81.37 C +ATOM 74 O GLN A 12 7.008 4.825 -4.272 1.00 73.64 O +ATOM 75 CB GLN A 12 8.622 2.231 -5.078 1.00 76.54 C +ATOM 76 CG GLN A 12 7.690 1.065 -4.796 1.00 71.95 C +ATOM 77 CD GLN A 12 8.394 -0.053 -4.062 1.00 66.54 C +ATOM 78 OE1 GLN A 12 9.218 0.191 -3.184 1.00 64.62 O +ATOM 79 NE2 GLN A 12 8.083 -1.288 -4.409 1.00 63.62 N +ATOM 80 N GLY A 13 5.592 3.503 -5.405 1.00 86.99 N +ATOM 81 CA GLY A 13 4.441 4.016 -4.679 1.00 84.46 C +ATOM 82 C GLY A 13 4.495 3.607 -3.224 1.00 84.94 C +ATOM 83 O GLY A 13 5.190 2.658 -2.847 1.00 84.50 O +ATOM 84 N PRO A 14 3.775 4.316 -2.364 1.00 81.02 N +ATOM 85 CA PRO A 14 3.755 3.980 -0.946 1.00 81.55 C +ATOM 86 C PRO A 14 2.911 2.734 -0.714 1.00 81.42 C +ATOM 87 O PRO A 14 2.089 2.367 -1.546 1.00 78.45 O +ATOM 88 CB PRO A 14 3.129 5.210 -0.298 1.00 78.09 C +ATOM 89 CG PRO A 14 2.210 5.728 -1.353 1.00 78.29 C +ATOM 90 CD PRO A 14 2.951 5.493 -2.648 1.00 78.11 C +HETATM 91 N HYP A 15 3.118 2.123 0.410 1.00 77.25 N +HETATM 92 CA HYP A 15 2.293 1.009 0.796 1.00 72.95 C +HETATM 93 C HYP A 15 0.832 1.420 0.888 1.00 77.47 C +HETATM 94 O HYP A 15 0.548 2.601 1.247 1.00 82.43 O +HETATM 95 CB HYP A 15 2.923 0.614 2.140 1.00 73.61 C +HETATM 96 CG HYP A 15 4.387 1.024 1.978 1.00 74.58 C +HETATM 97 CD HYP A 15 4.269 2.332 1.259 1.00 80.80 C +HETATM 98 OD1 HYP A 15 5.094 0.090 1.163 1.00 77.57 O +ATOM 99 N GLY A 16 -0.056 0.534 0.520 1.00 81.82 N +ATOM 100 CA GLY A 16 -1.459 0.820 0.611 1.00 79.25 C +ATOM 101 C GLY A 16 -1.886 0.917 2.063 1.00 79.44 C +ATOM 102 O GLY A 16 -1.111 0.620 2.980 1.00 78.91 O +ATOM 103 N PRO A 17 -3.130 1.330 2.291 1.00 76.83 N +ATOM 104 CA PRO A 17 -3.618 1.430 3.662 1.00 77.78 C +ATOM 105 C PRO A 17 -3.768 0.045 4.275 1.00 76.83 C +ATOM 106 O PRO A 17 -3.833 -0.955 3.569 1.00 76.33 O +ATOM 107 CB PRO A 17 -4.959 2.139 3.509 1.00 76.20 C +ATOM 108 CG PRO A 17 -5.392 1.784 2.133 1.00 75.72 C +ATOM 109 CD PRO A 17 -4.129 1.737 1.321 1.00 75.80 C +HETATM 110 N HYP A 18 -3.837 0.016 5.595 1.00 73.58 N +HETATM 111 CA HYP A 18 -4.061 -1.259 6.254 1.00 77.59 C +HETATM 112 C HYP A 18 -5.333 -1.933 5.789 1.00 70.49 C +HETATM 113 O HYP A 18 -6.323 -1.220 5.462 1.00 80.60 O +HETATM 114 CB HYP A 18 -4.100 -0.835 7.721 1.00 70.45 C +HETATM 115 CG HYP A 18 -3.246 0.420 7.808 1.00 68.81 C +HETATM 116 CD HYP A 18 -3.570 1.116 6.513 1.00 77.78 C +HETATM 117 OD1 HYP A 18 -1.865 0.113 7.838 1.00 77.16 O +ATOM 118 N GLY A 19 -5.311 -3.239 5.640 1.00 73.63 N +ATOM 119 CA GLY A 19 -6.469 -3.979 5.220 1.00 70.59 C +ATOM 120 C GLY A 19 -7.571 -3.876 6.264 1.00 70.60 C +ATOM 121 O GLY A 19 -7.344 -3.404 7.381 1.00 74.01 O +ATOM 122 N PRO A 20 -8.760 -4.327 5.907 1.00 68.82 N +ATOM 123 CA PRO A 20 -9.869 -4.269 6.856 1.00 71.99 C +ATOM 124 C PRO A 20 -9.691 -5.298 7.962 1.00 71.40 C +ATOM 125 O PRO A 20 -8.908 -6.234 7.830 1.00 75.63 O +ATOM 126 CB PRO A 20 -11.083 -4.574 5.983 1.00 70.03 C +ATOM 127 CG PRO A 20 -10.526 -5.439 4.910 1.00 65.21 C +ATOM 128 CD PRO A 20 -9.157 -4.882 4.625 1.00 65.21 C +HETATM 129 N HYP A 21 -10.424 -5.132 9.059 1.00 71.95 N +HETATM 130 CA HYP A 21 -10.419 -6.103 10.112 1.00 75.59 C +HETATM 131 C HYP A 21 -10.825 -7.493 9.642 1.00 69.88 C +HETATM 132 O HYP A 21 -11.641 -7.592 8.690 1.00 79.29 O +HETATM 133 CB HYP A 21 -11.427 -5.531 11.097 1.00 74.51 C +HETATM 134 CG HYP A 21 -11.394 -4.028 10.883 1.00 71.04 C +HETATM 135 CD HYP A 21 -11.188 -3.930 9.381 1.00 75.02 C +HETATM 136 OD1 HYP A 21 -10.259 -3.446 11.530 1.00 77.47 O +ATOM 137 N GLY A 22 -10.255 -8.535 10.161 1.00 72.04 N +ATOM 138 CA GLY A 22 -10.568 -9.882 9.769 1.00 70.36 C +ATOM 139 C GLY A 22 -12.008 -10.247 10.077 1.00 69.00 C +ATOM 140 O GLY A 22 -12.730 -9.479 10.716 1.00 71.65 O +ATOM 141 N PRO A 23 -12.444 -11.434 9.655 1.00 81.44 N +ATOM 142 CA PRO A 23 -13.814 -11.874 9.908 1.00 83.57 C +ATOM 143 C PRO A 23 -14.056 -12.041 11.395 1.00 82.40 C +ATOM 144 O PRO A 23 -13.127 -12.294 12.160 1.00 81.27 O +ATOM 145 CB PRO A 23 -13.908 -13.226 9.194 1.00 79.37 C +ATOM 146 CG PRO A 23 -12.765 -13.244 8.263 1.00 74.09 C +ATOM 147 CD PRO A 23 -11.694 -12.431 8.897 1.00 77.47 C +HETATM 148 N HYP A 24 -15.293 -11.989 11.848 1.00 83.25 N +HETATM 149 CA HYP A 24 -15.525 -12.196 13.283 1.00 82.44 C +HETATM 150 C HYP A 24 -15.106 -13.606 13.665 1.00 76.67 C +HETATM 151 O HYP A 24 -14.562 -13.714 14.739 1.00 85.57 O +HETATM 152 CB HYP A 24 -17.095 -12.086 13.357 1.00 77.82 C +HETATM 153 CG HYP A 24 -17.540 -11.322 12.137 1.00 78.34 C +HETATM 154 CD HYP A 24 -16.492 -11.662 11.074 1.00 85.93 C +HETATM 155 OD1 HYP A 24 -17.469 -9.920 12.397 1.00 82.19 O +HETATM 156 OXT HYP A 24 -15.324 -14.561 12.864 1.00 82.89 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_172.txt b/protein_pdb_172.txt new file mode 100644 index 0000000000000000000000000000000000000000..e39ddee2387304822f234f8278c66ee9b5b524e6 --- /dev/null +++ b/protein_pdb_172.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -24.490 21.995 11.364 1.00 84.84 N +ATOM 2 CA GLY A 1 -23.398 22.556 10.582 1.00 87.42 C +ATOM 3 C GLY A 1 -23.153 21.779 9.303 1.00 87.63 C +ATOM 4 O GLY A 1 -23.724 20.708 9.114 1.00 84.96 O +ATOM 5 N PRO A 2 -22.307 22.274 8.422 1.00 85.21 N +ATOM 6 CA PRO A 2 -22.014 21.588 7.165 1.00 88.16 C +ATOM 7 C PRO A 2 -21.180 20.336 7.390 1.00 88.32 C +ATOM 8 O PRO A 2 -20.541 20.175 8.428 1.00 87.31 O +ATOM 9 CB PRO A 2 -21.242 22.634 6.357 1.00 85.66 C +ATOM 10 CG PRO A 2 -20.569 23.454 7.400 1.00 81.16 C +ATOM 11 CD PRO A 2 -21.560 23.531 8.535 1.00 81.70 C +HETATM 12 N HYP A 3 -21.248 19.493 6.492 1.00 82.35 N +HETATM 13 CA HYP A 3 -20.379 18.250 6.488 1.00 82.56 C +HETATM 14 C HYP A 3 -18.910 18.600 6.560 1.00 77.69 C +HETATM 15 O HYP A 3 -18.471 19.641 6.032 1.00 85.39 O +HETATM 16 CB HYP A 3 -20.736 17.599 5.162 1.00 78.76 C +HETATM 17 CG HYP A 3 -22.150 18.121 4.801 1.00 77.53 C +HETATM 18 CD HYP A 3 -22.080 19.570 5.313 1.00 80.91 C +HETATM 19 OD1 HYP A 3 -23.149 17.424 5.476 1.00 83.49 O +ATOM 20 N GLY A 4 -18.117 17.761 7.240 1.00 89.42 N +ATOM 21 CA GLY A 4 -16.700 17.984 7.351 1.00 88.89 C +ATOM 22 C GLY A 4 -15.983 17.721 6.038 1.00 88.71 C +ATOM 23 O GLY A 4 -16.570 17.190 5.088 1.00 88.18 O +ATOM 24 N PRO A 5 -14.702 18.081 5.961 1.00 87.40 N +ATOM 25 CA PRO A 5 -13.935 17.866 4.740 1.00 87.59 C +ATOM 26 C PRO A 5 -13.670 16.376 4.503 1.00 87.60 C +ATOM 27 O PRO A 5 -13.724 15.577 5.435 1.00 87.64 O +ATOM 28 CB PRO A 5 -12.639 18.634 4.986 1.00 85.58 C +ATOM 29 CG PRO A 5 -12.494 18.590 6.468 1.00 82.77 C +ATOM 30 CD PRO A 5 -13.898 18.698 7.004 1.00 83.60 C +HETATM 31 N HYP A 6 -13.423 16.055 3.263 1.00 84.45 N +HETATM 32 CA HYP A 6 -12.970 14.637 2.956 1.00 87.58 C +HETATM 33 C HYP A 6 -11.774 14.224 3.691 1.00 84.58 C +HETATM 34 O HYP A 6 -10.877 15.069 3.960 1.00 81.82 O +HETATM 35 CB HYP A 6 -12.751 14.755 1.426 1.00 79.57 C +HETATM 36 CG HYP A 6 -13.673 15.877 0.950 1.00 80.34 C +HETATM 37 CD HYP A 6 -13.580 16.866 2.093 1.00 83.92 C +HETATM 38 OD1 HYP A 6 -15.000 15.431 0.786 1.00 84.19 O +ATOM 39 N GLY A 7 -11.686 12.940 4.117 1.00 90.84 N +ATOM 40 CA GLY A 7 -10.550 12.420 4.843 1.00 89.87 C +ATOM 41 C GLY A 7 -9.323 12.291 3.960 1.00 90.01 C +ATOM 42 O GLY A 7 -9.400 12.459 2.739 1.00 89.66 O +ATOM 43 N PRO A 8 -8.172 11.981 4.566 1.00 89.21 N +ATOM 44 CA PRO A 8 -6.936 11.831 3.802 1.00 89.19 C +ATOM 45 C PRO A 8 -6.955 10.553 2.970 1.00 88.81 C +ATOM 46 O PRO A 8 -7.725 9.634 3.240 1.00 87.18 O +ATOM 47 CB PRO A 8 -5.864 11.791 4.881 1.00 87.23 C +ATOM 48 CG PRO A 8 -6.566 11.187 6.041 1.00 87.02 C +ATOM 49 CD PRO A 8 -7.968 11.765 5.990 1.00 88.56 C +HETATM 50 N HYP A 9 -6.134 10.481 1.972 1.00 84.38 N +HETATM 51 CA HYP A 9 -5.937 9.269 1.173 1.00 86.77 C +HETATM 52 C HYP A 9 -5.517 8.121 1.970 1.00 84.29 C +HETATM 53 O HYP A 9 -4.785 8.309 2.969 1.00 81.61 O +HETATM 54 CB HYP A 9 -4.873 9.722 0.154 1.00 83.86 C +HETATM 55 CG HYP A 9 -5.040 11.208 0.044 1.00 81.07 C +HETATM 56 CD HYP A 9 -5.415 11.594 1.438 1.00 84.11 C +HETATM 57 OD1 HYP A 9 -6.099 11.514 -0.847 1.00 80.87 O +ATOM 58 N GLY A 10 -5.890 6.885 1.583 1.00 87.36 N +ATOM 59 CA GLY A 10 -5.522 5.688 2.291 1.00 85.12 C +ATOM 60 C GLY A 10 -4.016 5.474 2.295 1.00 85.20 C +ATOM 61 O GLY A 10 -3.278 6.062 1.494 1.00 83.19 O +ATOM 62 N ALA A 11 -3.556 4.619 3.206 1.00 85.28 N +ATOM 63 CA ALA A 11 -2.142 4.325 3.320 1.00 85.58 C +ATOM 64 C ALA A 11 -1.631 3.580 2.100 1.00 84.74 C +ATOM 65 O ALA A 11 -2.346 2.779 1.491 1.00 81.75 O +ATOM 66 CB ALA A 11 -1.875 3.509 4.579 1.00 82.55 C +ATOM 67 N VAL A 12 -0.364 3.820 1.743 1.00 83.73 N +ATOM 68 CA VAL A 12 0.268 3.086 0.652 1.00 82.95 C +ATOM 69 C VAL A 12 0.403 1.631 1.092 1.00 82.61 C +ATOM 70 O VAL A 12 0.707 1.350 2.252 1.00 78.80 O +ATOM 71 CB VAL A 12 1.651 3.692 0.324 1.00 79.53 C +ATOM 72 CG1 VAL A 12 2.363 2.864 -0.741 1.00 73.89 C +ATOM 73 CG2 VAL A 12 1.499 5.125 -0.156 1.00 74.11 C +ATOM 74 N GLY A 13 0.155 0.729 0.156 1.00 81.86 N +ATOM 75 CA GLY A 13 0.242 -0.687 0.468 1.00 78.73 C +ATOM 76 C GLY A 13 1.654 -1.145 0.791 1.00 79.83 C +ATOM 77 O GLY A 13 2.626 -0.409 0.578 1.00 81.20 O +ATOM 78 N PRO A 14 1.805 -2.377 1.303 1.00 79.43 N +ATOM 79 CA PRO A 14 3.121 -2.902 1.650 1.00 82.77 C +ATOM 80 C PRO A 14 3.940 -3.206 0.398 1.00 82.70 C +ATOM 81 O PRO A 14 3.391 -3.357 -0.685 1.00 83.76 O +ATOM 82 CB PRO A 14 2.807 -4.176 2.429 1.00 81.93 C +ATOM 83 CG PRO A 14 1.504 -4.618 1.865 1.00 79.75 C +ATOM 84 CD PRO A 14 0.742 -3.341 1.596 1.00 77.65 C +HETATM 85 N HYP A 15 5.247 -3.331 0.575 1.00 74.09 N +HETATM 86 CA HYP A 15 6.138 -3.694 -0.518 1.00 69.35 C +HETATM 87 C HYP A 15 5.805 -5.089 -1.087 1.00 76.59 C +HETATM 88 O HYP A 15 5.243 -5.931 -0.353 1.00 73.26 O +HETATM 89 CB HYP A 15 7.495 -3.763 0.206 1.00 76.81 C +HETATM 90 CG HYP A 15 7.336 -2.798 1.347 1.00 76.33 C +HETATM 91 CD HYP A 15 5.926 -3.018 1.759 1.00 78.52 C +HETATM 92 OD1 HYP A 15 7.520 -1.468 0.918 1.00 77.81 O +ATOM 93 N GLY A 16 6.040 -5.283 -2.339 1.00 87.53 N +ATOM 94 CA GLY A 16 5.811 -6.566 -2.937 1.00 85.08 C +ATOM 95 C GLY A 16 6.788 -7.606 -2.402 1.00 85.50 C +ATOM 96 O GLY A 16 7.736 -7.272 -1.687 1.00 86.91 O +ATOM 97 N PRO A 17 6.570 -8.885 -2.748 1.00 72.34 N +ATOM 98 CA PRO A 17 7.456 -9.941 -2.271 1.00 75.97 C +ATOM 99 C PRO A 17 8.834 -9.838 -2.919 1.00 75.42 C +ATOM 100 O PRO A 17 8.988 -9.261 -3.987 1.00 78.45 O +ATOM 101 CB PRO A 17 6.737 -11.226 -2.678 1.00 75.85 C +ATOM 102 CG PRO A 17 5.949 -10.821 -3.874 1.00 72.35 C +ATOM 103 CD PRO A 17 5.494 -9.411 -3.586 1.00 69.80 C +HETATM 104 N HYP A 18 9.835 -10.420 -2.287 1.00 78.65 N +HETATM 105 CA HYP A 18 11.168 -10.443 -2.843 1.00 82.79 C +HETATM 106 C HYP A 18 11.226 -11.162 -4.172 1.00 79.18 C +HETATM 107 O HYP A 18 10.465 -12.136 -4.410 1.00 82.60 O +HETATM 108 CB HYP A 18 11.941 -11.231 -1.773 1.00 76.34 C +HETATM 109 CG HYP A 18 11.195 -10.993 -0.487 1.00 78.86 C +HETATM 110 CD HYP A 18 9.767 -10.964 -0.945 1.00 81.53 C +HETATM 111 OD1 HYP A 18 11.525 -9.743 0.083 1.00 83.88 O +ATOM 112 N GLY A 19 12.044 -10.659 -5.108 1.00 86.22 N +ATOM 113 CA GLY A 19 12.215 -11.279 -6.393 1.00 84.95 C +ATOM 114 C GLY A 19 12.940 -12.604 -6.261 1.00 85.32 C +ATOM 115 O GLY A 19 13.475 -12.935 -5.196 1.00 84.81 O +ATOM 116 N PRO A 20 12.985 -13.391 -7.336 1.00 78.42 N +ATOM 117 CA PRO A 20 13.658 -14.684 -7.291 1.00 78.56 C +ATOM 118 C PRO A 20 15.168 -14.513 -7.232 1.00 78.31 C +ATOM 119 O PRO A 20 15.704 -13.479 -7.612 1.00 77.81 O +ATOM 120 CB PRO A 20 13.212 -15.351 -8.592 1.00 76.19 C +ATOM 121 CG PRO A 20 12.981 -14.203 -9.508 1.00 73.63 C +ATOM 122 CD PRO A 20 12.396 -13.114 -8.636 1.00 73.69 C +HETATM 123 N HYP A 21 15.894 -15.520 -6.740 1.00 87.65 N +HETATM 124 CA HYP A 21 17.331 -15.513 -6.748 1.00 82.96 C +HETATM 125 C HYP A 21 17.924 -15.391 -8.129 1.00 85.19 C +HETATM 126 O HYP A 21 17.304 -15.858 -9.101 1.00 87.18 O +HETATM 127 CB HYP A 21 17.673 -16.926 -6.144 1.00 83.87 C +HETATM 128 CG HYP A 21 16.487 -17.287 -5.273 1.00 78.93 C +HETATM 129 CD HYP A 21 15.326 -16.692 -6.040 1.00 83.84 C +HETATM 130 OD1 HYP A 21 16.556 -16.662 -3.993 1.00 85.16 O +ATOM 131 N GLY A 22 19.051 -14.730 -8.310 1.00 85.12 N +ATOM 132 CA GLY A 22 19.711 -14.598 -9.583 1.00 83.99 C +ATOM 133 C GLY A 22 20.176 -15.947 -10.098 1.00 84.22 C +ATOM 134 O GLY A 22 20.147 -16.945 -9.377 1.00 81.98 O +ATOM 135 N PRO A 23 20.654 -15.999 -11.343 1.00 85.00 N +ATOM 136 CA PRO A 23 21.118 -17.259 -11.918 1.00 85.76 C +ATOM 137 C PRO A 23 22.390 -17.729 -11.236 1.00 84.84 C +ATOM 138 O PRO A 23 23.158 -16.929 -10.704 1.00 81.51 O +ATOM 139 CB PRO A 23 21.337 -16.922 -13.385 1.00 81.19 C +ATOM 140 CG PRO A 23 21.638 -15.470 -13.377 1.00 77.88 C +ATOM 141 CD PRO A 23 20.771 -14.891 -12.289 1.00 77.45 C +HETATM 142 N HYP A 24 22.713 -19.009 -11.259 1.00 86.58 N +HETATM 143 CA HYP A 24 23.955 -19.481 -10.613 1.00 85.23 C +HETATM 144 C HYP A 24 25.139 -18.855 -11.275 1.00 83.35 C +HETATM 145 O HYP A 24 26.053 -18.559 -10.585 1.00 84.51 O +HETATM 146 CB HYP A 24 23.909 -21.026 -10.905 1.00 85.75 C +HETATM 147 CG HYP A 24 22.494 -21.391 -11.169 1.00 84.88 C +HETATM 148 CD HYP A 24 21.917 -20.112 -11.789 1.00 86.35 C +HETATM 149 OD1 HYP A 24 21.828 -21.650 -9.955 1.00 82.32 O +HETATM 150 OXT HYP A 24 25.105 -18.686 -12.519 1.00 81.62 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_173.txt b/protein_pdb_173.txt new file mode 100644 index 0000000000000000000000000000000000000000..d81babeeb234d72e384d2698c0909ecbfe9862ea --- /dev/null +++ b/protein_pdb_173.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 6.613 -7.686 10.194 1.00 79.20 N +ATOM 2 CA GLY A 1 5.715 -6.629 10.609 1.00 83.12 C +ATOM 3 C GLY A 1 4.499 -6.560 9.729 1.00 83.61 C +ATOM 4 O GLY A 1 4.376 -7.317 8.767 1.00 81.20 O +ATOM 5 N PRO A 2 3.610 -5.650 10.030 1.00 83.70 N +ATOM 6 CA PRO A 2 2.375 -5.544 9.263 1.00 86.28 C +ATOM 7 C PRO A 2 2.605 -4.944 7.889 1.00 86.34 C +ATOM 8 O PRO A 2 3.603 -4.274 7.642 1.00 85.59 O +ATOM 9 CB PRO A 2 1.509 -4.628 10.123 1.00 83.35 C +ATOM 10 CG PRO A 2 2.489 -3.784 10.855 1.00 77.82 C +ATOM 11 CD PRO A 2 3.678 -4.663 11.108 1.00 78.65 C +HETATM 12 N HYP A 3 1.719 -5.194 7.050 1.00 82.88 N +HETATM 13 CA HYP A 3 1.706 -4.592 5.713 1.00 84.08 C +HETATM 14 C HYP A 3 1.675 -3.095 5.745 1.00 85.27 C +HETATM 15 O HYP A 3 1.190 -2.474 6.741 1.00 86.41 O +HETATM 16 CB HYP A 3 0.373 -5.167 5.154 1.00 83.47 C +HETATM 17 CG HYP A 3 0.176 -6.458 5.906 1.00 78.07 C +HETATM 18 CD HYP A 3 0.636 -6.118 7.312 1.00 82.75 C +HETATM 19 OD1 HYP A 3 0.971 -7.473 5.381 1.00 85.22 O +ATOM 20 N GLY A 4 2.253 -2.496 4.777 1.00 86.32 N +ATOM 21 CA GLY A 4 2.197 -1.065 4.664 1.00 84.08 C +ATOM 22 C GLY A 4 0.804 -0.583 4.304 1.00 82.90 C +ATOM 23 O GLY A 4 -0.113 -1.374 4.087 1.00 82.88 O +ATOM 24 N PRO A 5 0.647 0.731 4.235 1.00 87.01 N +ATOM 25 CA PRO A 5 -0.648 1.296 3.885 1.00 85.68 C +ATOM 26 C PRO A 5 -0.974 1.060 2.423 1.00 85.33 C +ATOM 27 O PRO A 5 -0.094 0.781 1.617 1.00 82.90 O +ATOM 28 CB PRO A 5 -0.471 2.780 4.186 1.00 82.56 C +ATOM 29 CG PRO A 5 0.981 3.016 3.974 1.00 80.94 C +ATOM 30 CD PRO A 5 1.670 1.757 4.425 1.00 82.97 C +HETATM 31 N HYP A 6 -2.234 1.179 2.100 1.00 85.15 N +HETATM 32 CA HYP A 6 -2.639 1.080 0.724 1.00 87.49 C +HETATM 33 C HYP A 6 -1.972 2.074 -0.164 1.00 86.69 C +HETATM 34 O HYP A 6 -1.648 3.205 0.279 1.00 85.40 O +HETATM 35 CB HYP A 6 -4.177 1.396 0.889 1.00 84.85 C +HETATM 36 CG HYP A 6 -4.531 0.933 2.289 1.00 83.00 C +HETATM 37 CD HYP A 6 -3.329 1.358 3.083 1.00 84.72 C +HETATM 38 OD1 HYP A 6 -4.689 -0.460 2.334 1.00 83.41 O +ATOM 39 N GLY A 7 -1.634 1.647 -1.344 1.00 85.81 N +ATOM 40 CA GLY A 7 -1.046 2.537 -2.310 1.00 82.19 C +ATOM 41 C GLY A 7 -2.016 3.629 -2.706 1.00 83.22 C +ATOM 42 O GLY A 7 -3.174 3.650 -2.289 1.00 82.62 O +ATOM 43 N PRO A 8 -1.539 4.555 -3.517 1.00 87.12 N +ATOM 44 CA PRO A 8 -2.401 5.639 -3.949 1.00 85.96 C +ATOM 45 C PRO A 8 -3.478 5.134 -4.896 1.00 86.64 C +ATOM 46 O PRO A 8 -3.337 4.089 -5.522 1.00 83.96 O +ATOM 47 CB PRO A 8 -1.448 6.592 -4.653 1.00 82.46 C +ATOM 48 CG PRO A 8 -0.356 5.716 -5.136 1.00 82.59 C +ATOM 49 CD PRO A 8 -0.208 4.637 -4.100 1.00 84.29 C +HETATM 50 N HYP A 9 -4.539 5.919 -5.000 1.00 84.27 N +HETATM 51 CA HYP A 9 -5.580 5.554 -5.898 1.00 85.88 C +HETATM 52 C HYP A 9 -5.106 5.510 -7.321 1.00 85.07 C +HETATM 53 O HYP A 9 -4.223 6.292 -7.693 1.00 82.34 O +HETATM 54 CB HYP A 9 -6.543 6.786 -5.702 1.00 83.41 C +HETATM 55 CG HYP A 9 -6.278 7.279 -4.332 1.00 81.28 C +HETATM 56 CD HYP A 9 -4.812 7.108 -4.188 1.00 84.83 C +HETATM 57 OD1 HYP A 9 -6.936 6.492 -3.362 1.00 82.39 O +ATOM 58 N GLY A 10 -5.561 4.550 -8.057 1.00 84.61 N +ATOM 59 CA GLY A 10 -5.313 4.558 -9.472 1.00 81.68 C +ATOM 60 C GLY A 10 -5.927 5.803 -10.065 1.00 82.31 C +ATOM 61 O GLY A 10 -6.714 6.508 -9.432 1.00 80.54 O +ATOM 62 N TYR A 11 -5.566 6.110 -11.294 1.00 83.01 N +ATOM 63 CA TYR A 11 -6.086 7.307 -11.918 1.00 83.15 C +ATOM 64 C TYR A 11 -7.572 7.095 -12.198 1.00 81.77 C +ATOM 65 O TYR A 11 -7.940 6.247 -13.006 1.00 79.94 O +ATOM 66 CB TYR A 11 -5.318 7.614 -13.193 1.00 82.15 C +ATOM 67 CG TYR A 11 -5.648 8.989 -13.732 1.00 78.01 C +ATOM 68 CD1 TYR A 11 -5.182 10.121 -13.091 1.00 76.91 C +ATOM 69 CD2 TYR A 11 -6.442 9.140 -14.857 1.00 76.72 C +ATOM 70 CE1 TYR A 11 -5.491 11.383 -13.565 1.00 75.14 C +ATOM 71 CE2 TYR A 11 -6.754 10.403 -15.333 1.00 76.35 C +ATOM 72 CZ TYR A 11 -6.277 11.520 -14.696 1.00 74.65 C +ATOM 73 OH TYR A 11 -6.580 12.774 -15.164 1.00 75.13 O +HETATM 74 N HYP A 12 -8.471 7.846 -11.513 1.00 78.30 N +HETATM 75 CA HYP A 12 -9.772 7.396 -11.279 1.00 79.71 C +HETATM 76 C HYP A 12 -10.036 6.080 -10.809 1.00 82.77 C +HETATM 77 O HYP A 12 -11.052 5.453 -11.065 1.00 80.83 O +HETATM 78 CB HYP A 12 -10.751 8.431 -11.369 1.00 77.68 C +HETATM 79 CG HYP A 12 -9.975 9.502 -12.139 1.00 75.32 C +HETATM 80 CD HYP A 12 -8.535 9.198 -11.818 1.00 79.75 C +HETATM 81 OD1 HYP A 12 -10.297 10.810 -11.785 1.00 78.40 O +ATOM 82 N GLY A 13 -9.066 5.453 -10.126 1.00 84.12 N +ATOM 83 CA GLY A 13 -9.158 4.078 -9.682 1.00 80.69 C +ATOM 84 C GLY A 13 -9.133 3.952 -8.175 1.00 80.83 C +ATOM 85 O GLY A 13 -8.966 4.932 -7.453 1.00 80.82 O +ATOM 86 N PRO A 14 -9.301 2.741 -7.698 1.00 82.82 N +ATOM 87 CA PRO A 14 -9.316 2.479 -6.266 1.00 82.07 C +ATOM 88 C PRO A 14 -7.911 2.549 -5.683 1.00 81.81 C +ATOM 89 O PRO A 14 -6.920 2.595 -6.404 1.00 78.81 O +ATOM 90 CB PRO A 14 -9.881 1.069 -6.175 1.00 78.53 C +ATOM 91 CG PRO A 14 -9.416 0.422 -7.432 1.00 75.51 C +ATOM 92 CD PRO A 14 -9.449 1.512 -8.469 1.00 75.71 C +HETATM 93 N HYP A 15 -7.884 2.522 -4.386 1.00 80.29 N +HETATM 94 CA HYP A 15 -6.593 2.512 -3.720 1.00 83.57 C +HETATM 95 C HYP A 15 -5.749 1.356 -4.137 1.00 81.78 C +HETATM 96 O HYP A 15 -6.279 0.306 -4.531 1.00 84.49 O +HETATM 97 CB HYP A 15 -7.026 2.383 -2.240 1.00 80.42 C +HETATM 98 CG HYP A 15 -8.411 2.990 -2.205 1.00 76.74 C +HETATM 99 CD HYP A 15 -9.027 2.518 -3.510 1.00 81.48 C +HETATM 100 OD1 HYP A 15 -8.344 4.382 -2.195 1.00 81.07 O +ATOM 101 N GLY A 16 -4.473 1.563 -4.156 1.00 84.20 N +ATOM 102 CA GLY A 16 -3.575 0.494 -4.484 1.00 80.95 C +ATOM 103 C GLY A 16 -3.548 -0.561 -3.397 1.00 82.81 C +ATOM 104 O GLY A 16 -4.165 -0.412 -2.341 1.00 82.75 O +ATOM 105 N PRO A 17 -2.831 -1.641 -3.660 1.00 84.44 N +ATOM 106 CA PRO A 17 -2.720 -2.709 -2.672 1.00 84.09 C +ATOM 107 C PRO A 17 -1.887 -2.266 -1.484 1.00 84.73 C +ATOM 108 O PRO A 17 -1.133 -1.301 -1.559 1.00 81.94 O +ATOM 109 CB PRO A 17 -2.039 -3.835 -3.442 1.00 80.53 C +ATOM 110 CG PRO A 17 -1.238 -3.123 -4.467 1.00 79.37 C +ATOM 111 CD PRO A 17 -2.041 -1.918 -4.848 1.00 80.91 C +HETATM 112 N HYP A 18 -2.014 -2.966 -0.407 1.00 83.27 N +HETATM 113 CA HYP A 18 -1.202 -2.703 0.742 1.00 87.18 C +HETATM 114 C HYP A 18 0.247 -2.747 0.428 1.00 87.56 C +HETATM 115 O HYP A 18 0.686 -3.522 -0.479 1.00 85.49 O +HETATM 116 CB HYP A 18 -1.638 -3.804 1.670 1.00 83.91 C +HETATM 117 CG HYP A 18 -3.062 -4.114 1.262 1.00 78.65 C +HETATM 118 CD HYP A 18 -3.012 -4.013 -0.220 1.00 83.03 C +HETATM 119 OD1 HYP A 18 -3.942 -3.154 1.778 1.00 81.40 O +ATOM 120 N GLY A 19 1.006 -1.931 1.058 1.00 86.72 N +ATOM 121 CA GLY A 19 2.430 -1.946 0.886 1.00 85.95 C +ATOM 122 C GLY A 19 3.042 -3.229 1.422 1.00 87.21 C +ATOM 123 O GLY A 19 2.355 -4.093 1.963 1.00 87.85 O +ATOM 124 N PRO A 20 4.345 -3.350 1.262 1.00 85.80 N +ATOM 125 CA PRO A 20 5.014 -4.552 1.727 1.00 85.16 C +ATOM 126 C PRO A 20 5.041 -4.620 3.242 1.00 85.62 C +ATOM 127 O PRO A 20 4.880 -3.618 3.930 1.00 84.50 O +ATOM 128 CB PRO A 20 6.421 -4.412 1.151 1.00 81.45 C +ATOM 129 CG PRO A 20 6.610 -2.955 0.999 1.00 78.94 C +ATOM 130 CD PRO A 20 5.258 -2.392 0.669 1.00 80.62 C +HETATM 131 N HYP A 21 5.267 -5.805 3.776 1.00 84.56 N +HETATM 132 CA HYP A 21 5.357 -5.994 5.154 1.00 87.69 C +HETATM 133 C HYP A 21 6.450 -5.182 5.808 1.00 85.57 C +HETATM 134 O HYP A 21 7.470 -4.929 5.150 1.00 86.48 O +HETATM 135 CB HYP A 21 5.625 -7.476 5.289 1.00 84.96 C +HETATM 136 CG HYP A 21 4.991 -8.072 4.076 1.00 82.88 C +HETATM 137 CD HYP A 21 5.282 -7.065 3.025 1.00 85.94 C +HETATM 138 OD1 HYP A 21 3.596 -8.189 4.239 1.00 84.85 O +ATOM 139 N GLY A 22 6.214 -4.670 6.951 1.00 87.74 N +ATOM 140 CA GLY A 22 7.215 -3.960 7.697 1.00 85.77 C +ATOM 141 C GLY A 22 8.296 -4.902 8.210 1.00 85.52 C +ATOM 142 O GLY A 22 8.340 -6.080 7.854 1.00 85.00 O +ATOM 143 N PRO A 23 9.171 -4.387 9.056 1.00 80.50 N +ATOM 144 CA PRO A 23 10.242 -5.219 9.605 1.00 81.19 C +ATOM 145 C PRO A 23 9.672 -6.384 10.387 1.00 80.32 C +ATOM 146 O PRO A 23 8.594 -6.296 10.954 1.00 76.59 O +ATOM 147 CB PRO A 23 10.998 -4.275 10.533 1.00 75.99 C +ATOM 148 CG PRO A 23 10.571 -2.921 10.140 1.00 72.09 C +ATOM 149 CD PRO A 23 9.200 -3.040 9.585 1.00 74.87 C +HETATM 150 N HYP A 24 10.339 -7.427 10.528 1.00 86.99 N +HETATM 151 CA HYP A 24 9.820 -8.564 11.241 1.00 81.32 C +HETATM 152 C HYP A 24 8.997 -8.223 12.425 1.00 84.18 C +HETATM 153 O HYP A 24 9.424 -7.295 13.153 1.00 83.26 O +HETATM 154 CB HYP A 24 10.995 -9.457 11.444 1.00 83.32 C +HETATM 155 CG HYP A 24 12.040 -8.956 10.459 1.00 80.55 C +HETATM 156 CD HYP A 24 11.717 -7.497 10.220 1.00 84.79 C +HETATM 157 OD1 HYP A 24 11.909 -9.623 9.208 1.00 82.42 O +HETATM 158 OXT HYP A 24 7.951 -8.911 12.615 1.00 77.55 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_174.txt b/protein_pdb_174.txt new file mode 100644 index 0000000000000000000000000000000000000000..d81babeeb234d72e384d2698c0909ecbfe9862ea --- /dev/null +++ b/protein_pdb_174.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 6.613 -7.686 10.194 1.00 79.20 N +ATOM 2 CA GLY A 1 5.715 -6.629 10.609 1.00 83.12 C +ATOM 3 C GLY A 1 4.499 -6.560 9.729 1.00 83.61 C +ATOM 4 O GLY A 1 4.376 -7.317 8.767 1.00 81.20 O +ATOM 5 N PRO A 2 3.610 -5.650 10.030 1.00 83.70 N +ATOM 6 CA PRO A 2 2.375 -5.544 9.263 1.00 86.28 C +ATOM 7 C PRO A 2 2.605 -4.944 7.889 1.00 86.34 C +ATOM 8 O PRO A 2 3.603 -4.274 7.642 1.00 85.59 O +ATOM 9 CB PRO A 2 1.509 -4.628 10.123 1.00 83.35 C +ATOM 10 CG PRO A 2 2.489 -3.784 10.855 1.00 77.82 C +ATOM 11 CD PRO A 2 3.678 -4.663 11.108 1.00 78.65 C +HETATM 12 N HYP A 3 1.719 -5.194 7.050 1.00 82.88 N +HETATM 13 CA HYP A 3 1.706 -4.592 5.713 1.00 84.08 C +HETATM 14 C HYP A 3 1.675 -3.095 5.745 1.00 85.27 C +HETATM 15 O HYP A 3 1.190 -2.474 6.741 1.00 86.41 O +HETATM 16 CB HYP A 3 0.373 -5.167 5.154 1.00 83.47 C +HETATM 17 CG HYP A 3 0.176 -6.458 5.906 1.00 78.07 C +HETATM 18 CD HYP A 3 0.636 -6.118 7.312 1.00 82.75 C +HETATM 19 OD1 HYP A 3 0.971 -7.473 5.381 1.00 85.22 O +ATOM 20 N GLY A 4 2.253 -2.496 4.777 1.00 86.32 N +ATOM 21 CA GLY A 4 2.197 -1.065 4.664 1.00 84.08 C +ATOM 22 C GLY A 4 0.804 -0.583 4.304 1.00 82.90 C +ATOM 23 O GLY A 4 -0.113 -1.374 4.087 1.00 82.88 O +ATOM 24 N PRO A 5 0.647 0.731 4.235 1.00 87.01 N +ATOM 25 CA PRO A 5 -0.648 1.296 3.885 1.00 85.68 C +ATOM 26 C PRO A 5 -0.974 1.060 2.423 1.00 85.33 C +ATOM 27 O PRO A 5 -0.094 0.781 1.617 1.00 82.90 O +ATOM 28 CB PRO A 5 -0.471 2.780 4.186 1.00 82.56 C +ATOM 29 CG PRO A 5 0.981 3.016 3.974 1.00 80.94 C +ATOM 30 CD PRO A 5 1.670 1.757 4.425 1.00 82.97 C +HETATM 31 N HYP A 6 -2.234 1.179 2.100 1.00 85.15 N +HETATM 32 CA HYP A 6 -2.639 1.080 0.724 1.00 87.49 C +HETATM 33 C HYP A 6 -1.972 2.074 -0.164 1.00 86.69 C +HETATM 34 O HYP A 6 -1.648 3.205 0.279 1.00 85.40 O +HETATM 35 CB HYP A 6 -4.177 1.396 0.889 1.00 84.85 C +HETATM 36 CG HYP A 6 -4.531 0.933 2.289 1.00 83.00 C +HETATM 37 CD HYP A 6 -3.329 1.358 3.083 1.00 84.72 C +HETATM 38 OD1 HYP A 6 -4.689 -0.460 2.334 1.00 83.41 O +ATOM 39 N GLY A 7 -1.634 1.647 -1.344 1.00 85.81 N +ATOM 40 CA GLY A 7 -1.046 2.537 -2.310 1.00 82.19 C +ATOM 41 C GLY A 7 -2.016 3.629 -2.706 1.00 83.22 C +ATOM 42 O GLY A 7 -3.174 3.650 -2.289 1.00 82.62 O +ATOM 43 N PRO A 8 -1.539 4.555 -3.517 1.00 87.12 N +ATOM 44 CA PRO A 8 -2.401 5.639 -3.949 1.00 85.96 C +ATOM 45 C PRO A 8 -3.478 5.134 -4.896 1.00 86.64 C +ATOM 46 O PRO A 8 -3.337 4.089 -5.522 1.00 83.96 O +ATOM 47 CB PRO A 8 -1.448 6.592 -4.653 1.00 82.46 C +ATOM 48 CG PRO A 8 -0.356 5.716 -5.136 1.00 82.59 C +ATOM 49 CD PRO A 8 -0.208 4.637 -4.100 1.00 84.29 C +HETATM 50 N HYP A 9 -4.539 5.919 -5.000 1.00 84.27 N +HETATM 51 CA HYP A 9 -5.580 5.554 -5.898 1.00 85.88 C +HETATM 52 C HYP A 9 -5.106 5.510 -7.321 1.00 85.07 C +HETATM 53 O HYP A 9 -4.223 6.292 -7.693 1.00 82.34 O +HETATM 54 CB HYP A 9 -6.543 6.786 -5.702 1.00 83.41 C +HETATM 55 CG HYP A 9 -6.278 7.279 -4.332 1.00 81.28 C +HETATM 56 CD HYP A 9 -4.812 7.108 -4.188 1.00 84.83 C +HETATM 57 OD1 HYP A 9 -6.936 6.492 -3.362 1.00 82.39 O +ATOM 58 N GLY A 10 -5.561 4.550 -8.057 1.00 84.61 N +ATOM 59 CA GLY A 10 -5.313 4.558 -9.472 1.00 81.68 C +ATOM 60 C GLY A 10 -5.927 5.803 -10.065 1.00 82.31 C +ATOM 61 O GLY A 10 -6.714 6.508 -9.432 1.00 80.54 O +ATOM 62 N TYR A 11 -5.566 6.110 -11.294 1.00 83.01 N +ATOM 63 CA TYR A 11 -6.086 7.307 -11.918 1.00 83.15 C +ATOM 64 C TYR A 11 -7.572 7.095 -12.198 1.00 81.77 C +ATOM 65 O TYR A 11 -7.940 6.247 -13.006 1.00 79.94 O +ATOM 66 CB TYR A 11 -5.318 7.614 -13.193 1.00 82.15 C +ATOM 67 CG TYR A 11 -5.648 8.989 -13.732 1.00 78.01 C +ATOM 68 CD1 TYR A 11 -5.182 10.121 -13.091 1.00 76.91 C +ATOM 69 CD2 TYR A 11 -6.442 9.140 -14.857 1.00 76.72 C +ATOM 70 CE1 TYR A 11 -5.491 11.383 -13.565 1.00 75.14 C +ATOM 71 CE2 TYR A 11 -6.754 10.403 -15.333 1.00 76.35 C +ATOM 72 CZ TYR A 11 -6.277 11.520 -14.696 1.00 74.65 C +ATOM 73 OH TYR A 11 -6.580 12.774 -15.164 1.00 75.13 O +HETATM 74 N HYP A 12 -8.471 7.846 -11.513 1.00 78.30 N +HETATM 75 CA HYP A 12 -9.772 7.396 -11.279 1.00 79.71 C +HETATM 76 C HYP A 12 -10.036 6.080 -10.809 1.00 82.77 C +HETATM 77 O HYP A 12 -11.052 5.453 -11.065 1.00 80.83 O +HETATM 78 CB HYP A 12 -10.751 8.431 -11.369 1.00 77.68 C +HETATM 79 CG HYP A 12 -9.975 9.502 -12.139 1.00 75.32 C +HETATM 80 CD HYP A 12 -8.535 9.198 -11.818 1.00 79.75 C +HETATM 81 OD1 HYP A 12 -10.297 10.810 -11.785 1.00 78.40 O +ATOM 82 N GLY A 13 -9.066 5.453 -10.126 1.00 84.12 N +ATOM 83 CA GLY A 13 -9.158 4.078 -9.682 1.00 80.69 C +ATOM 84 C GLY A 13 -9.133 3.952 -8.175 1.00 80.83 C +ATOM 85 O GLY A 13 -8.966 4.932 -7.453 1.00 80.82 O +ATOM 86 N PRO A 14 -9.301 2.741 -7.698 1.00 82.82 N +ATOM 87 CA PRO A 14 -9.316 2.479 -6.266 1.00 82.07 C +ATOM 88 C PRO A 14 -7.911 2.549 -5.683 1.00 81.81 C +ATOM 89 O PRO A 14 -6.920 2.595 -6.404 1.00 78.81 O +ATOM 90 CB PRO A 14 -9.881 1.069 -6.175 1.00 78.53 C +ATOM 91 CG PRO A 14 -9.416 0.422 -7.432 1.00 75.51 C +ATOM 92 CD PRO A 14 -9.449 1.512 -8.469 1.00 75.71 C +HETATM 93 N HYP A 15 -7.884 2.522 -4.386 1.00 80.29 N +HETATM 94 CA HYP A 15 -6.593 2.512 -3.720 1.00 83.57 C +HETATM 95 C HYP A 15 -5.749 1.356 -4.137 1.00 81.78 C +HETATM 96 O HYP A 15 -6.279 0.306 -4.531 1.00 84.49 O +HETATM 97 CB HYP A 15 -7.026 2.383 -2.240 1.00 80.42 C +HETATM 98 CG HYP A 15 -8.411 2.990 -2.205 1.00 76.74 C +HETATM 99 CD HYP A 15 -9.027 2.518 -3.510 1.00 81.48 C +HETATM 100 OD1 HYP A 15 -8.344 4.382 -2.195 1.00 81.07 O +ATOM 101 N GLY A 16 -4.473 1.563 -4.156 1.00 84.20 N +ATOM 102 CA GLY A 16 -3.575 0.494 -4.484 1.00 80.95 C +ATOM 103 C GLY A 16 -3.548 -0.561 -3.397 1.00 82.81 C +ATOM 104 O GLY A 16 -4.165 -0.412 -2.341 1.00 82.75 O +ATOM 105 N PRO A 17 -2.831 -1.641 -3.660 1.00 84.44 N +ATOM 106 CA PRO A 17 -2.720 -2.709 -2.672 1.00 84.09 C +ATOM 107 C PRO A 17 -1.887 -2.266 -1.484 1.00 84.73 C +ATOM 108 O PRO A 17 -1.133 -1.301 -1.559 1.00 81.94 O +ATOM 109 CB PRO A 17 -2.039 -3.835 -3.442 1.00 80.53 C +ATOM 110 CG PRO A 17 -1.238 -3.123 -4.467 1.00 79.37 C +ATOM 111 CD PRO A 17 -2.041 -1.918 -4.848 1.00 80.91 C +HETATM 112 N HYP A 18 -2.014 -2.966 -0.407 1.00 83.27 N +HETATM 113 CA HYP A 18 -1.202 -2.703 0.742 1.00 87.18 C +HETATM 114 C HYP A 18 0.247 -2.747 0.428 1.00 87.56 C +HETATM 115 O HYP A 18 0.686 -3.522 -0.479 1.00 85.49 O +HETATM 116 CB HYP A 18 -1.638 -3.804 1.670 1.00 83.91 C +HETATM 117 CG HYP A 18 -3.062 -4.114 1.262 1.00 78.65 C +HETATM 118 CD HYP A 18 -3.012 -4.013 -0.220 1.00 83.03 C +HETATM 119 OD1 HYP A 18 -3.942 -3.154 1.778 1.00 81.40 O +ATOM 120 N GLY A 19 1.006 -1.931 1.058 1.00 86.72 N +ATOM 121 CA GLY A 19 2.430 -1.946 0.886 1.00 85.95 C +ATOM 122 C GLY A 19 3.042 -3.229 1.422 1.00 87.21 C +ATOM 123 O GLY A 19 2.355 -4.093 1.963 1.00 87.85 O +ATOM 124 N PRO A 20 4.345 -3.350 1.262 1.00 85.80 N +ATOM 125 CA PRO A 20 5.014 -4.552 1.727 1.00 85.16 C +ATOM 126 C PRO A 20 5.041 -4.620 3.242 1.00 85.62 C +ATOM 127 O PRO A 20 4.880 -3.618 3.930 1.00 84.50 O +ATOM 128 CB PRO A 20 6.421 -4.412 1.151 1.00 81.45 C +ATOM 129 CG PRO A 20 6.610 -2.955 0.999 1.00 78.94 C +ATOM 130 CD PRO A 20 5.258 -2.392 0.669 1.00 80.62 C +HETATM 131 N HYP A 21 5.267 -5.805 3.776 1.00 84.56 N +HETATM 132 CA HYP A 21 5.357 -5.994 5.154 1.00 87.69 C +HETATM 133 C HYP A 21 6.450 -5.182 5.808 1.00 85.57 C +HETATM 134 O HYP A 21 7.470 -4.929 5.150 1.00 86.48 O +HETATM 135 CB HYP A 21 5.625 -7.476 5.289 1.00 84.96 C +HETATM 136 CG HYP A 21 4.991 -8.072 4.076 1.00 82.88 C +HETATM 137 CD HYP A 21 5.282 -7.065 3.025 1.00 85.94 C +HETATM 138 OD1 HYP A 21 3.596 -8.189 4.239 1.00 84.85 O +ATOM 139 N GLY A 22 6.214 -4.670 6.951 1.00 87.74 N +ATOM 140 CA GLY A 22 7.215 -3.960 7.697 1.00 85.77 C +ATOM 141 C GLY A 22 8.296 -4.902 8.210 1.00 85.52 C +ATOM 142 O GLY A 22 8.340 -6.080 7.854 1.00 85.00 O +ATOM 143 N PRO A 23 9.171 -4.387 9.056 1.00 80.50 N +ATOM 144 CA PRO A 23 10.242 -5.219 9.605 1.00 81.19 C +ATOM 145 C PRO A 23 9.672 -6.384 10.387 1.00 80.32 C +ATOM 146 O PRO A 23 8.594 -6.296 10.954 1.00 76.59 O +ATOM 147 CB PRO A 23 10.998 -4.275 10.533 1.00 75.99 C +ATOM 148 CG PRO A 23 10.571 -2.921 10.140 1.00 72.09 C +ATOM 149 CD PRO A 23 9.200 -3.040 9.585 1.00 74.87 C +HETATM 150 N HYP A 24 10.339 -7.427 10.528 1.00 86.99 N +HETATM 151 CA HYP A 24 9.820 -8.564 11.241 1.00 81.32 C +HETATM 152 C HYP A 24 8.997 -8.223 12.425 1.00 84.18 C +HETATM 153 O HYP A 24 9.424 -7.295 13.153 1.00 83.26 O +HETATM 154 CB HYP A 24 10.995 -9.457 11.444 1.00 83.32 C +HETATM 155 CG HYP A 24 12.040 -8.956 10.459 1.00 80.55 C +HETATM 156 CD HYP A 24 11.717 -7.497 10.220 1.00 84.79 C +HETATM 157 OD1 HYP A 24 11.909 -9.623 9.208 1.00 82.42 O +HETATM 158 OXT HYP A 24 7.951 -8.911 12.615 1.00 77.55 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_175.txt b/protein_pdb_175.txt new file mode 100644 index 0000000000000000000000000000000000000000..8f958f23f85e6a81bd61241b4d2532db9d553a3f --- /dev/null +++ b/protein_pdb_175.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -4.616 6.289 1.224 1.00 73.50 N +ATOM 2 CA GLY A 1 -3.631 5.934 0.224 1.00 75.12 C +ATOM 3 C GLY A 1 -4.055 4.709 -0.554 1.00 77.24 C +ATOM 4 O GLY A 1 -5.115 4.134 -0.301 1.00 73.46 O +ATOM 5 N PRO A 2 -3.220 4.283 -1.502 1.00 74.22 N +ATOM 6 CA PRO A 2 -3.541 3.118 -2.310 1.00 78.08 C +ATOM 7 C PRO A 2 -3.405 1.832 -1.510 1.00 78.70 C +ATOM 8 O PRO A 2 -2.780 1.803 -0.454 1.00 76.31 O +ATOM 9 CB PRO A 2 -2.507 3.178 -3.439 1.00 74.79 C +ATOM 10 CG PRO A 2 -1.342 3.853 -2.816 1.00 71.28 C +ATOM 11 CD PRO A 2 -1.920 4.864 -1.862 1.00 70.84 C +HETATM 12 N HYP A 3 -3.977 0.770 -2.005 1.00 77.17 N +HETATM 13 CA HYP A 3 -3.849 -0.509 -1.392 1.00 85.16 C +HETATM 14 C HYP A 3 -2.383 -0.944 -1.283 1.00 80.08 C +HETATM 15 O HYP A 3 -1.541 -0.576 -2.122 1.00 80.47 O +HETATM 16 CB HYP A 3 -4.634 -1.407 -2.358 1.00 79.67 C +HETATM 17 CG HYP A 3 -5.687 -0.491 -2.855 1.00 76.26 C +HETATM 18 CD HYP A 3 -4.911 0.779 -3.079 1.00 77.85 C +HETATM 19 OD1 HYP A 3 -6.682 -0.254 -1.901 1.00 77.72 O +ATOM 20 N GLY A 4 -2.091 -1.591 -0.203 1.00 85.62 N +ATOM 21 CA GLY A 4 -0.752 -2.063 0.022 1.00 83.67 C +ATOM 22 C GLY A 4 -0.373 -3.161 -0.953 1.00 83.34 C +ATOM 23 O GLY A 4 -1.187 -3.591 -1.773 1.00 81.60 O +ATOM 24 N PRO A 5 0.858 -3.608 -0.867 1.00 83.64 N +ATOM 25 CA PRO A 5 1.311 -4.664 -1.765 1.00 82.79 C +ATOM 26 C PRO A 5 0.644 -5.985 -1.421 1.00 82.60 C +ATOM 27 O PRO A 5 0.163 -6.185 -0.315 1.00 80.23 O +ATOM 28 CB PRO A 5 2.815 -4.713 -1.522 1.00 79.73 C +ATOM 29 CG PRO A 5 2.958 -4.262 -0.111 1.00 79.08 C +ATOM 30 CD PRO A 5 1.887 -3.215 0.079 1.00 80.75 C +HETATM 31 N HYP A 6 0.668 -6.900 -2.395 1.00 82.38 N +HETATM 32 CA HYP A 6 0.147 -8.190 -2.103 1.00 84.76 C +HETATM 33 C HYP A 6 0.904 -8.894 -0.991 1.00 81.25 C +HETATM 34 O HYP A 6 2.133 -8.728 -0.847 1.00 81.53 O +HETATM 35 CB HYP A 6 0.280 -8.925 -3.443 1.00 82.41 C +HETATM 36 CG HYP A 6 0.200 -7.824 -4.460 1.00 80.36 C +HETATM 37 CD HYP A 6 0.950 -6.705 -3.800 1.00 82.94 C +HETATM 38 OD1 HYP A 6 -1.122 -7.404 -4.692 1.00 79.91 O +ATOM 39 N GLY A 7 0.167 -9.539 -0.111 1.00 81.72 N +ATOM 40 CA GLY A 7 0.759 -10.267 0.979 1.00 78.66 C +ATOM 41 C GLY A 7 1.379 -11.560 0.495 1.00 79.03 C +ATOM 42 O GLY A 7 1.350 -11.880 -0.692 1.00 77.82 O +ATOM 43 N PRO A 8 1.915 -12.327 1.410 1.00 77.74 N +ATOM 44 CA PRO A 8 2.457 -13.629 1.048 1.00 79.47 C +ATOM 45 C PRO A 8 1.315 -14.552 0.637 1.00 79.03 C +ATOM 46 O PRO A 8 0.145 -14.282 0.901 1.00 78.19 O +ATOM 47 CB PRO A 8 3.144 -14.103 2.325 1.00 77.33 C +ATOM 48 CG PRO A 8 2.485 -13.344 3.411 1.00 75.73 C +ATOM 49 CD PRO A 8 2.049 -12.035 2.827 1.00 77.11 C +HETATM 50 N HYP A 9 1.686 -15.677 -0.027 1.00 72.77 N +HETATM 51 CA HYP A 9 0.688 -16.598 -0.381 1.00 79.99 C +HETATM 52 C HYP A 9 -0.278 -16.915 0.690 1.00 76.15 C +HETATM 53 O HYP A 9 0.153 -17.100 1.851 1.00 76.06 O +HETATM 54 CB HYP A 9 1.462 -17.791 -0.943 1.00 76.23 C +HETATM 55 CG HYP A 9 2.727 -17.149 -1.500 1.00 73.43 C +HETATM 56 CD HYP A 9 2.983 -16.034 -0.494 1.00 75.22 C +HETATM 57 OD1 HYP A 9 2.517 -16.552 -2.756 1.00 75.19 O +ATOM 58 N GLY A 10 -1.602 -16.785 0.475 1.00 79.94 N +ATOM 59 CA GLY A 10 -2.643 -17.077 1.422 1.00 77.08 C +ATOM 60 C GLY A 10 -3.037 -15.924 2.331 1.00 76.18 C +ATOM 61 O GLY A 10 -3.956 -16.077 3.128 1.00 72.47 O +ATOM 62 N CYS A 11 -2.376 -14.767 2.241 1.00 75.92 N +ATOM 63 CA CYS A 11 -2.679 -13.620 3.091 1.00 76.97 C +ATOM 64 C CYS A 11 -2.744 -12.358 2.253 1.00 76.89 C +ATOM 65 O CYS A 11 -1.820 -12.078 1.498 1.00 75.13 O +ATOM 66 CB CYS A 11 -1.596 -13.416 4.153 1.00 71.76 C +ATOM 67 SG CYS A 11 -1.346 -14.811 5.246 1.00 65.48 S +ATOM 68 N PRO A 12 -3.808 -11.544 2.383 1.00 75.44 N +ATOM 69 CA PRO A 12 -3.842 -10.268 1.668 1.00 76.82 C +ATOM 70 C PRO A 12 -2.814 -9.310 2.246 1.00 77.44 C +ATOM 71 O PRO A 12 -2.439 -9.405 3.414 1.00 73.24 O +ATOM 72 CB PRO A 12 -5.256 -9.716 1.909 1.00 73.57 C +ATOM 73 CG PRO A 12 -5.970 -10.703 2.731 1.00 70.71 C +ATOM 74 CD PRO A 12 -5.017 -11.767 3.181 1.00 70.10 C +ATOM 75 N GLY A 13 -2.376 -8.385 1.415 1.00 84.39 N +ATOM 76 CA GLY A 13 -1.475 -7.354 1.904 1.00 83.26 C +ATOM 77 C GLY A 13 -2.236 -6.349 2.739 1.00 83.95 C +ATOM 78 O GLY A 13 -3.471 -6.302 2.712 1.00 83.65 O +ATOM 79 N PRO A 14 -1.530 -5.511 3.498 1.00 80.52 N +ATOM 80 CA PRO A 14 -2.193 -4.491 4.300 1.00 80.55 C +ATOM 81 C PRO A 14 -2.607 -3.323 3.422 1.00 81.24 C +ATOM 82 O PRO A 14 -2.083 -3.127 2.330 1.00 78.06 O +ATOM 83 CB PRO A 14 -1.107 -4.070 5.289 1.00 77.07 C +ATOM 84 CG PRO A 14 0.155 -4.270 4.531 1.00 76.00 C +ATOM 85 CD PRO A 14 -0.075 -5.498 3.685 1.00 75.24 C +HETATM 86 N HYP A 15 -3.543 -2.545 3.883 1.00 80.27 N +HETATM 87 CA HYP A 15 -3.898 -1.305 3.220 1.00 78.88 C +HETATM 88 C HYP A 15 -2.706 -0.378 3.170 1.00 79.67 C +HETATM 89 O HYP A 15 -1.811 -0.437 4.041 1.00 80.49 O +HETATM 90 CB HYP A 15 -5.019 -0.828 4.124 1.00 77.18 C +HETATM 91 CG HYP A 15 -5.616 -2.096 4.651 1.00 77.12 C +HETATM 92 CD HYP A 15 -4.426 -2.942 4.932 1.00 81.79 C +HETATM 93 OD1 HYP A 15 -6.444 -2.721 3.702 1.00 77.88 O +ATOM 94 N GLY A 16 -2.667 0.444 2.165 1.00 84.31 N +ATOM 95 CA GLY A 16 -1.605 1.408 2.048 1.00 82.16 C +ATOM 96 C GLY A 16 -1.701 2.475 3.121 1.00 82.52 C +ATOM 97 O GLY A 16 -2.666 2.515 3.894 1.00 81.53 O +ATOM 98 N PRO A 17 -0.717 3.370 3.171 1.00 77.00 N +ATOM 99 CA PRO A 17 -0.747 4.436 4.162 1.00 76.58 C +ATOM 100 C PRO A 17 -1.835 5.447 3.844 1.00 76.83 C +ATOM 101 O PRO A 17 -2.323 5.523 2.727 1.00 74.51 O +ATOM 102 CB PRO A 17 0.647 5.058 4.054 1.00 74.25 C +ATOM 103 CG PRO A 17 1.068 4.761 2.665 1.00 73.56 C +ATOM 104 CD PRO A 17 0.471 3.424 2.326 1.00 72.05 C +HETATM 105 N HYP A 18 -2.227 6.259 4.806 1.00 75.06 N +HETATM 106 CA HYP A 18 -3.183 7.290 4.603 1.00 76.29 C +HETATM 107 C HYP A 18 -2.754 8.261 3.536 1.00 75.06 C +HETATM 108 O HYP A 18 -1.541 8.512 3.369 1.00 76.22 O +HETATM 109 CB HYP A 18 -3.276 7.877 5.983 1.00 71.75 C +HETATM 110 CG HYP A 18 -2.967 6.724 6.908 1.00 75.29 C +HETATM 111 CD HYP A 18 -1.870 6.005 6.185 1.00 80.39 C +HETATM 112 OD1 HYP A 18 -4.061 5.856 7.072 1.00 76.80 O +ATOM 113 N GLY A 19 -3.692 8.808 2.831 1.00 73.11 N +ATOM 114 CA GLY A 19 -3.417 9.815 1.834 1.00 70.07 C +ATOM 115 C GLY A 19 -2.914 11.093 2.474 1.00 69.83 C +ATOM 116 O GLY A 19 -2.834 11.209 3.700 1.00 70.37 O +ATOM 117 N PRO A 20 -2.578 12.072 1.640 1.00 67.81 N +ATOM 118 CA PRO A 20 -2.065 13.330 2.172 1.00 70.48 C +ATOM 119 C PRO A 20 -3.133 14.098 2.927 1.00 70.53 C +ATOM 120 O PRO A 20 -4.322 13.891 2.736 1.00 70.75 O +ATOM 121 CB PRO A 20 -1.607 14.076 0.919 1.00 67.61 C +ATOM 122 CG PRO A 20 -2.440 13.504 -0.168 1.00 63.44 C +ATOM 123 CD PRO A 20 -2.666 12.062 0.196 1.00 63.74 C +HETATM 124 N HYP A 21 -2.716 15.038 3.778 1.00 71.18 N +HETATM 125 CA HYP A 21 -3.619 15.862 4.485 1.00 74.65 C +HETATM 126 C HYP A 21 -4.489 16.724 3.584 1.00 73.29 C +HETATM 127 O HYP A 21 -4.008 17.144 2.500 1.00 76.11 O +HETATM 128 CB HYP A 21 -2.677 16.780 5.297 1.00 69.37 C +HETATM 129 CG HYP A 21 -1.431 15.953 5.486 1.00 70.16 C +HETATM 130 CD HYP A 21 -1.322 15.230 4.165 1.00 74.39 C +HETATM 131 OD1 HYP A 21 -1.627 14.994 6.515 1.00 75.79 O +ATOM 132 N GLY A 22 -5.722 16.910 3.944 1.00 70.64 N +ATOM 133 CA GLY A 22 -6.611 17.766 3.200 1.00 68.26 C +ATOM 134 C GLY A 22 -6.179 19.220 3.309 1.00 67.44 C +ATOM 135 O GLY A 22 -5.273 19.553 4.079 1.00 68.51 O +ATOM 136 N PRO A 23 -6.829 20.097 2.565 1.00 69.94 N +ATOM 137 CA PRO A 23 -6.476 21.512 2.617 1.00 73.36 C +ATOM 138 C PRO A 23 -6.948 22.137 3.916 1.00 72.94 C +ATOM 139 O PRO A 23 -7.880 21.654 4.553 1.00 71.24 O +ATOM 140 CB PRO A 23 -7.208 22.104 1.420 1.00 68.89 C +ATOM 141 CG PRO A 23 -8.381 21.214 1.243 1.00 63.19 C +ATOM 142 CD PRO A 23 -7.915 19.834 1.630 1.00 65.40 C +HETATM 143 N HYP A 24 -6.322 23.262 4.304 1.00 73.06 N +HETATM 144 CA HYP A 24 -6.845 23.943 5.466 1.00 72.33 C +HETATM 145 C HYP A 24 -8.175 24.536 5.104 1.00 71.16 C +HETATM 146 O HYP A 24 -8.254 25.268 4.099 1.00 77.82 O +HETATM 147 CB HYP A 24 -5.821 25.107 5.695 1.00 74.44 C +HETATM 148 CG HYP A 24 -4.544 24.680 5.017 1.00 74.18 C +HETATM 149 CD HYP A 24 -5.018 23.802 3.819 1.00 76.32 C +HETATM 150 OD1 HYP A 24 -3.808 23.846 5.892 1.00 76.06 O +HETATM 151 OXT HYP A 24 -9.094 24.151 5.806 1.00 72.91 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_176.txt b/protein_pdb_176.txt new file mode 100644 index 0000000000000000000000000000000000000000..7fe82ccb9c43ea10f7acc770d16def4f119345da --- /dev/null +++ b/protein_pdb_176.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 14.007 -1.728 4.404 1.00 90.51 N +ATOM 2 CA GLY A 1 13.465 -0.899 3.389 1.00 91.14 C +ATOM 3 C GLY A 1 12.264 -0.093 3.831 1.00 91.63 C +ATOM 4 O GLY A 1 11.701 -0.333 4.895 1.00 89.84 O +ATOM 5 N PRO A 2 11.866 0.833 3.023 1.00 91.81 N +ATOM 6 CA PRO A 2 10.740 1.680 3.346 1.00 91.89 C +ATOM 7 C PRO A 2 9.422 0.948 3.176 1.00 91.83 C +ATOM 8 O PRO A 2 9.367 -0.133 2.596 1.00 89.86 O +ATOM 9 CB PRO A 2 10.883 2.824 2.351 1.00 88.65 C +ATOM 10 CG PRO A 2 11.481 2.156 1.163 1.00 85.57 C +ATOM 11 CD PRO A 2 12.483 1.191 1.752 1.00 88.36 C +HETATM 12 N HYP A 3 8.364 1.578 3.688 1.00 92.67 N +HETATM 13 CA HYP A 3 7.062 0.966 3.521 1.00 91.35 C +HETATM 14 C HYP A 3 6.679 0.868 2.057 1.00 92.55 C +HETATM 15 O HYP A 3 7.092 1.728 1.241 1.00 93.46 O +HETATM 16 CB HYP A 3 6.104 2.062 4.172 1.00 90.68 C +HETATM 17 CG HYP A 3 6.985 2.760 5.190 1.00 88.30 C +HETATM 18 CD HYP A 3 8.376 2.798 4.456 1.00 91.65 C +HETATM 19 OD1 HYP A 3 7.085 1.949 6.318 1.00 89.67 O +ATOM 20 N GLY A 4 6.016 -0.208 1.738 1.00 94.10 N +ATOM 21 CA GLY A 4 5.577 -0.393 0.385 1.00 93.35 C +ATOM 22 C GLY A 4 4.504 0.623 0.038 1.00 94.04 C +ATOM 23 O GLY A 4 3.968 1.306 0.906 1.00 93.83 O +ATOM 24 N PRO A 5 4.188 0.737 -1.251 1.00 93.60 N +ATOM 25 CA PRO A 5 3.168 1.686 -1.682 1.00 93.08 C +ATOM 26 C PRO A 5 1.783 1.238 -1.258 1.00 92.71 C +ATOM 27 O PRO A 5 1.571 0.080 -0.923 1.00 91.60 O +ATOM 28 CB PRO A 5 3.325 1.698 -3.201 1.00 91.25 C +ATOM 29 CG PRO A 5 3.780 0.309 -3.498 1.00 90.07 C +ATOM 30 CD PRO A 5 4.736 -0.011 -2.377 1.00 92.75 C +HETATM 31 N HYP A 6 0.855 2.213 -1.256 1.00 94.19 N +HETATM 32 CA HYP A 6 -0.522 1.836 -0.982 1.00 94.65 C +HETATM 33 C HYP A 6 -1.010 0.818 -1.960 1.00 95.06 C +HETATM 34 O HYP A 6 -0.569 0.794 -3.142 1.00 93.36 O +HETATM 35 CB HYP A 6 -1.260 3.213 -1.214 1.00 90.90 C +HETATM 36 CG HYP A 6 -0.225 4.263 -0.932 1.00 88.92 C +HETATM 37 CD HYP A 6 1.049 3.638 -1.505 1.00 92.20 C +HETATM 38 OD1 HYP A 6 -0.084 4.430 0.465 1.00 89.56 O +ATOM 39 N GLY A 7 -1.822 -0.086 -1.482 1.00 92.51 N +ATOM 40 CA GLY A 7 -2.380 -1.103 -2.329 1.00 91.56 C +ATOM 41 C GLY A 7 -3.213 -0.470 -3.424 1.00 92.02 C +ATOM 42 O GLY A 7 -3.568 0.701 -3.358 1.00 91.87 O +ATOM 43 N PRO A 8 -3.529 -1.250 -4.447 1.00 93.32 N +ATOM 44 CA PRO A 8 -4.323 -0.711 -5.538 1.00 93.16 C +ATOM 45 C PRO A 8 -5.745 -0.425 -5.096 1.00 93.21 C +ATOM 46 O PRO A 8 -6.243 -1.009 -4.143 1.00 91.58 O +ATOM 47 CB PRO A 8 -4.268 -1.816 -6.590 1.00 90.78 C +ATOM 48 CG PRO A 8 -4.121 -3.050 -5.772 1.00 89.52 C +ATOM 49 CD PRO A 8 -3.192 -2.646 -4.653 1.00 91.74 C +HETATM 50 N HYP A 9 -6.380 0.494 -5.805 1.00 92.57 N +HETATM 51 CA HYP A 9 -7.736 0.791 -5.517 1.00 91.09 C +HETATM 52 C HYP A 9 -8.616 -0.400 -5.757 1.00 92.95 C +HETATM 53 O HYP A 9 -8.435 -1.110 -6.772 1.00 92.08 O +HETATM 54 CB HYP A 9 -8.058 1.910 -6.587 1.00 87.99 C +HETATM 55 CG HYP A 9 -6.738 2.500 -6.961 1.00 88.00 C +HETATM 56 CD HYP A 9 -5.795 1.362 -6.877 1.00 91.98 C +HETATM 57 OD1 HYP A 9 -6.367 3.463 -5.994 1.00 87.61 O +ATOM 58 N GLY A 10 -9.496 -0.733 -4.868 1.00 92.33 N +ATOM 59 CA GLY A 10 -10.464 -1.770 -5.106 1.00 90.33 C +ATOM 60 C GLY A 10 -11.513 -1.232 -6.056 1.00 91.05 C +ATOM 61 O GLY A 10 -11.541 -0.038 -6.366 1.00 89.58 O +ATOM 62 N LEU A 11 -12.377 -2.105 -6.514 1.00 91.49 N +ATOM 63 CA LEU A 11 -13.439 -1.643 -7.396 1.00 93.06 C +ATOM 64 C LEU A 11 -14.391 -0.710 -6.664 1.00 92.85 C +ATOM 65 O LEU A 11 -15.073 0.101 -7.286 1.00 91.11 O +ATOM 66 CB LEU A 11 -14.211 -2.833 -7.965 1.00 91.86 C +ATOM 67 CG LEU A 11 -13.440 -3.669 -8.980 1.00 87.24 C +ATOM 68 CD1 LEU A 11 -14.272 -4.860 -9.382 1.00 85.59 C +ATOM 69 CD2 LEU A 11 -13.065 -2.833 -10.190 1.00 82.58 C +ATOM 70 N MET A 12 -14.426 -0.849 -5.339 1.00 93.40 N +ATOM 71 CA MET A 12 -15.296 -0.004 -4.522 1.00 94.26 C +ATOM 72 C MET A 12 -14.564 0.592 -3.328 1.00 94.08 C +ATOM 73 O MET A 12 -14.689 1.775 -3.053 1.00 89.67 O +ATOM 74 CB MET A 12 -16.499 -0.803 -4.041 1.00 91.89 C +ATOM 75 CG MET A 12 -17.344 -1.342 -5.164 1.00 86.97 C +ATOM 76 SD MET A 12 -18.825 -2.170 -4.590 1.00 82.62 S +ATOM 77 CE MET A 12 -19.836 -0.757 -4.193 1.00 74.14 C +ATOM 78 N GLY A 13 -13.815 -0.224 -2.614 1.00 94.06 N +ATOM 79 CA GLY A 13 -13.136 0.215 -1.417 1.00 93.49 C +ATOM 80 C GLY A 13 -11.953 1.127 -1.654 1.00 94.14 C +ATOM 81 O GLY A 13 -11.531 1.342 -2.795 1.00 94.04 O +ATOM 82 N PRO A 14 -11.402 1.684 -0.574 1.00 94.13 N +ATOM 83 CA PRO A 14 -10.260 2.583 -0.666 1.00 94.07 C +ATOM 84 C PRO A 14 -8.983 1.823 -0.977 1.00 94.31 C +ATOM 85 O PRO A 14 -8.947 0.598 -0.914 1.00 93.30 O +ATOM 86 CB PRO A 14 -10.209 3.222 0.716 1.00 92.26 C +ATOM 87 CG PRO A 14 -10.706 2.134 1.604 1.00 90.96 C +ATOM 88 CD PRO A 14 -11.823 1.503 0.811 1.00 92.64 C +HETATM 89 N HYP A 15 -7.949 2.601 -1.276 1.00 93.27 N +HETATM 90 CA HYP A 15 -6.647 1.968 -1.512 1.00 93.16 C +HETATM 91 C HYP A 15 -6.215 1.189 -0.307 1.00 94.98 C +HETATM 92 O HYP A 15 -6.600 1.546 0.841 1.00 93.62 O +HETATM 93 CB HYP A 15 -5.757 3.221 -1.712 1.00 91.80 C +HETATM 94 CG HYP A 15 -6.703 4.303 -2.201 1.00 90.58 C +HETATM 95 CD HYP A 15 -7.955 4.041 -1.400 1.00 92.88 C +HETATM 96 OD1 HYP A 15 -6.971 4.146 -3.560 1.00 90.64 O +ATOM 97 N GLY A 16 -5.470 0.147 -0.533 1.00 94.73 N +ATOM 98 CA GLY A 16 -4.964 -0.630 0.555 1.00 94.25 C +ATOM 99 C GLY A 16 -3.941 0.155 1.346 1.00 94.64 C +ATOM 100 O GLY A 16 -3.457 1.195 0.892 1.00 94.28 O +ATOM 101 N PRO A 17 -3.597 -0.326 2.539 1.00 93.31 N +ATOM 102 CA PRO A 17 -2.619 0.363 3.368 1.00 92.85 C +ATOM 103 C PRO A 17 -1.220 0.213 2.789 1.00 93.43 C +ATOM 104 O PRO A 17 -0.972 -0.648 1.953 1.00 92.27 O +ATOM 105 CB PRO A 17 -2.744 -0.340 4.713 1.00 91.19 C +ATOM 106 CG PRO A 17 -3.152 -1.721 4.336 1.00 89.84 C +ATOM 107 CD PRO A 17 -4.109 -1.529 3.188 1.00 91.66 C +HETATM 108 N HYP A 18 -0.324 1.095 3.253 1.00 90.49 N +HETATM 109 CA HYP A 18 1.036 0.928 2.849 1.00 90.66 C +HETATM 110 C HYP A 18 1.566 -0.430 3.206 1.00 93.07 C +HETATM 111 O HYP A 18 1.166 -1.017 4.238 1.00 92.01 O +HETATM 112 CB HYP A 18 1.758 2.022 3.683 1.00 89.22 C +HETATM 113 CG HYP A 18 0.705 3.082 3.914 1.00 87.20 C +HETATM 114 CD HYP A 18 -0.545 2.240 4.113 1.00 91.27 C +HETATM 115 OD1 HYP A 18 0.553 3.882 2.751 1.00 89.38 O +ATOM 116 N GLY A 19 2.388 -0.973 2.352 1.00 89.44 N +ATOM 117 CA GLY A 19 2.973 -2.256 2.602 1.00 88.77 C +ATOM 118 C GLY A 19 3.900 -2.187 3.803 1.00 89.14 C +ATOM 119 O GLY A 19 4.266 -1.108 4.254 1.00 89.73 O +ATOM 120 N PRO A 20 4.295 -3.343 4.324 1.00 86.90 N +ATOM 121 CA PRO A 20 5.190 -3.363 5.463 1.00 86.67 C +ATOM 122 C PRO A 20 6.585 -2.922 5.063 1.00 86.34 C +ATOM 123 O PRO A 20 6.938 -2.939 3.886 1.00 86.51 O +ATOM 124 CB PRO A 20 5.163 -4.828 5.900 1.00 83.72 C +ATOM 125 CG PRO A 20 4.913 -5.549 4.621 1.00 81.76 C +ATOM 126 CD PRO A 20 3.928 -4.685 3.892 1.00 84.62 C +HETATM 127 N HYP A 21 7.340 -2.509 6.063 1.00 91.56 N +HETATM 128 CA HYP A 21 8.719 -2.172 5.775 1.00 89.89 C +HETATM 129 C HYP A 21 9.483 -3.306 5.131 1.00 91.35 C +HETATM 130 O HYP A 21 9.219 -4.460 5.453 1.00 92.89 O +HETATM 131 CB HYP A 21 9.278 -1.854 7.174 1.00 88.11 C +HETATM 132 CG HYP A 21 8.097 -1.420 7.998 1.00 83.36 C +HETATM 133 CD HYP A 21 6.983 -2.310 7.469 1.00 91.21 C +HETATM 134 OD1 HYP A 21 7.763 -0.070 7.696 1.00 86.52 O +ATOM 135 N GLY A 22 10.345 -2.997 4.221 1.00 90.74 N +ATOM 136 CA GLY A 22 11.152 -3.991 3.586 1.00 88.45 C +ATOM 137 C GLY A 22 12.175 -4.534 4.578 1.00 88.64 C +ATOM 138 O GLY A 22 12.276 -4.043 5.699 1.00 88.73 O +ATOM 139 N PRO A 23 12.962 -5.536 4.192 1.00 91.80 N +ATOM 140 CA PRO A 23 13.967 -6.101 5.082 1.00 91.55 C +ATOM 141 C PRO A 23 15.128 -5.132 5.248 1.00 89.80 C +ATOM 142 O PRO A 23 16.050 -5.108 4.442 1.00 86.33 O +ATOM 143 CB PRO A 23 14.374 -7.382 4.369 1.00 88.58 C +ATOM 144 CG PRO A 23 14.161 -7.071 2.938 1.00 85.62 C +ATOM 145 CD PRO A 23 12.929 -6.199 2.909 1.00 89.14 C +HETATM 146 N HYP A 24 15.107 -4.233 6.138 1.00 94.07 N +HETATM 147 CA HYP A 24 15.837 -2.871 6.166 1.00 89.43 C +HETATM 148 C HYP A 24 15.264 -1.806 5.462 1.00 93.65 C +HETATM 149 O HYP A 24 16.087 -1.056 4.710 1.00 92.62 O +HETATM 150 CB HYP A 24 15.857 -2.591 7.720 1.00 86.72 C +HETATM 151 CG HYP A 24 15.594 -3.901 8.459 1.00 86.34 C +HETATM 152 CD HYP A 24 15.048 -4.860 7.391 1.00 91.23 C +HETATM 153 OD1 HYP A 24 16.800 -4.428 8.946 1.00 88.07 O +HETATM 154 OXT HYP A 24 14.339 -0.918 6.067 1.00 87.11 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_177.txt b/protein_pdb_177.txt new file mode 100644 index 0000000000000000000000000000000000000000..453fc0b1280989851861b85602bcc37a9bcf9914 --- /dev/null +++ b/protein_pdb_177.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 11.356 -1.826 -9.894 1.00 80.41 N +ATOM 2 CA GLY A 1 10.809 -0.484 -9.795 1.00 82.84 C +ATOM 3 C GLY A 1 10.574 -0.098 -8.357 1.00 84.13 C +ATOM 4 O GLY A 1 10.802 -0.905 -7.447 1.00 80.78 O +ATOM 5 N PRO A 2 10.109 1.111 -8.125 1.00 82.21 N +ATOM 6 CA PRO A 2 9.867 1.568 -6.763 1.00 84.69 C +ATOM 7 C PRO A 2 8.676 0.875 -6.131 1.00 84.23 C +ATOM 8 O PRO A 2 7.847 0.288 -6.812 1.00 82.14 O +ATOM 9 CB PRO A 2 9.607 3.068 -6.939 1.00 81.14 C +ATOM 10 CG PRO A 2 9.032 3.163 -8.305 1.00 76.10 C +ATOM 11 CD PRO A 2 9.782 2.139 -9.112 1.00 77.32 C +HETATM 12 N HYP A 3 8.648 0.930 -4.858 1.00 85.47 N +HETATM 13 CA HYP A 3 7.463 0.405 -4.126 1.00 84.05 C +HETATM 14 C HYP A 3 6.211 1.089 -4.571 1.00 85.95 C +HETATM 15 O HYP A 3 6.238 2.267 -4.995 1.00 89.56 O +HETATM 16 CB HYP A 3 7.809 0.792 -2.668 1.00 84.20 C +HETATM 17 CG HYP A 3 9.318 0.798 -2.623 1.00 79.04 C +HETATM 18 CD HYP A 3 9.681 1.401 -3.988 1.00 85.29 C +HETATM 19 OD1 HYP A 3 9.766 -0.525 -2.565 1.00 84.23 O +ATOM 20 N GLY A 4 5.136 0.333 -4.523 1.00 88.80 N +ATOM 21 CA GLY A 4 3.859 0.873 -4.883 1.00 89.25 C +ATOM 22 C GLY A 4 3.398 1.887 -3.854 1.00 90.34 C +ATOM 23 O GLY A 4 3.998 2.027 -2.790 1.00 90.31 O +ATOM 24 N PRO A 5 2.330 2.606 -4.166 1.00 88.50 N +ATOM 25 CA PRO A 5 1.815 3.602 -3.234 1.00 89.88 C +ATOM 26 C PRO A 5 1.151 2.952 -2.037 1.00 90.01 C +ATOM 27 O PRO A 5 0.801 1.776 -2.067 1.00 88.05 O +ATOM 28 CB PRO A 5 0.813 4.380 -4.082 1.00 87.43 C +ATOM 29 CG PRO A 5 0.338 3.376 -5.068 1.00 85.64 C +ATOM 30 CD PRO A 5 1.543 2.544 -5.392 1.00 87.86 C +HETATM 31 N HYP A 6 1.004 3.738 -0.987 1.00 88.19 N +HETATM 32 CA HYP A 6 0.283 3.256 0.180 1.00 93.55 C +HETATM 33 C HYP A 6 -1.114 2.880 -0.164 1.00 90.56 C +HETATM 34 O HYP A 6 -1.744 3.480 -1.057 1.00 89.39 O +HETATM 35 CB HYP A 6 0.290 4.524 1.078 1.00 84.98 C +HETATM 36 CG HYP A 6 1.528 5.260 0.661 1.00 83.03 C +HETATM 37 CD HYP A 6 1.536 5.051 -0.828 1.00 86.80 C +HETATM 38 OD1 HYP A 6 2.653 4.633 1.235 1.00 86.09 O +ATOM 39 N GLY A 7 -1.593 1.856 0.501 1.00 91.01 N +ATOM 40 CA GLY A 7 -2.945 1.414 0.290 1.00 90.26 C +ATOM 41 C GLY A 7 -3.926 2.455 0.784 1.00 91.02 C +ATOM 42 O GLY A 7 -3.552 3.433 1.434 1.00 90.36 O +ATOM 43 N PRO A 8 -5.191 2.262 0.471 1.00 91.02 N +ATOM 44 CA PRO A 8 -6.204 3.212 0.910 1.00 91.06 C +ATOM 45 C PRO A 8 -6.490 3.084 2.394 1.00 90.91 C +ATOM 46 O PRO A 8 -6.208 2.063 3.009 1.00 88.38 O +ATOM 47 CB PRO A 8 -7.422 2.829 0.075 1.00 88.45 C +ATOM 48 CG PRO A 8 -7.249 1.365 -0.125 1.00 87.59 C +ATOM 49 CD PRO A 8 -5.763 1.171 -0.309 1.00 89.82 C +HETATM 50 N HYP A 9 -7.067 4.159 2.964 1.00 87.07 N +HETATM 51 CA HYP A 9 -7.482 4.106 4.315 1.00 89.89 C +HETATM 52 C HYP A 9 -8.609 3.130 4.482 1.00 88.05 C +HETATM 53 O HYP A 9 -9.419 2.947 3.566 1.00 87.91 O +HETATM 54 CB HYP A 9 -8.060 5.541 4.552 1.00 83.20 C +HETATM 55 CG HYP A 9 -7.362 6.389 3.559 1.00 81.58 C +HETATM 56 CD HYP A 9 -7.206 5.505 2.387 1.00 86.07 C +HETATM 57 OD1 HYP A 9 -6.079 6.712 4.051 1.00 82.29 O +ATOM 58 N GLY A 10 -8.697 2.465 5.593 1.00 88.03 N +ATOM 59 CA GLY A 10 -9.820 1.599 5.873 1.00 85.13 C +ATOM 60 C GLY A 10 -11.007 2.448 6.292 1.00 86.35 C +ATOM 61 O GLY A 10 -10.958 3.678 6.246 1.00 84.03 O +ATOM 62 N ASP A 11 -12.070 1.795 6.721 1.00 87.94 N +ATOM 63 CA ASP A 11 -13.218 2.547 7.225 1.00 90.96 C +ATOM 64 C ASP A 11 -12.758 3.470 8.338 1.00 90.83 C +ATOM 65 O ASP A 11 -13.226 4.598 8.464 1.00 88.36 O +ATOM 66 CB ASP A 11 -14.287 1.592 7.751 1.00 88.58 C +ATOM 67 CG ASP A 11 -14.943 0.800 6.647 1.00 83.13 C +ATOM 68 OD1 ASP A 11 -15.048 1.308 5.513 1.00 82.65 O +ATOM 69 OD2 ASP A 11 -15.373 -0.345 6.919 1.00 80.68 O +ATOM 70 N ILE A 12 -11.839 2.961 9.129 1.00 91.68 N +ATOM 71 CA ILE A 12 -11.140 3.717 10.151 1.00 92.26 C +ATOM 72 C ILE A 12 -9.737 3.143 10.167 1.00 91.73 C +ATOM 73 O ILE A 12 -9.555 1.926 10.194 1.00 87.59 O +ATOM 74 CB ILE A 12 -11.784 3.590 11.558 1.00 89.73 C +ATOM 75 CG1 ILE A 12 -11.945 2.124 11.948 1.00 84.95 C +ATOM 76 CG2 ILE A 12 -13.112 4.316 11.614 1.00 82.54 C +ATOM 77 CD1 ILE A 12 -12.366 1.934 13.392 1.00 76.84 C +ATOM 78 N GLY A 13 -8.741 4.002 10.133 1.00 90.61 N +ATOM 79 CA GLY A 13 -7.383 3.506 10.200 1.00 89.39 C +ATOM 80 C GLY A 13 -6.478 4.123 9.163 1.00 90.14 C +ATOM 81 O GLY A 13 -6.929 4.809 8.245 1.00 89.81 O +ATOM 82 N PRO A 14 -5.189 3.898 9.320 1.00 89.23 N +ATOM 83 CA PRO A 14 -4.197 4.470 8.432 1.00 89.17 C +ATOM 84 C PRO A 14 -4.176 3.803 7.074 1.00 89.11 C +ATOM 85 O PRO A 14 -4.766 2.753 6.865 1.00 86.88 O +ATOM 86 CB PRO A 14 -2.892 4.230 9.184 1.00 86.77 C +ATOM 87 CG PRO A 14 -3.143 2.955 9.902 1.00 85.64 C +ATOM 88 CD PRO A 14 -4.577 3.057 10.348 1.00 85.56 C +HETATM 89 N HYP A 15 -3.472 4.462 6.200 1.00 88.27 N +HETATM 90 CA HYP A 15 -3.239 3.850 4.902 1.00 91.06 C +HETATM 91 C HYP A 15 -2.513 2.554 5.022 1.00 91.48 C +HETATM 92 O HYP A 15 -1.776 2.340 6.000 1.00 90.06 O +HETATM 93 CB HYP A 15 -2.292 4.923 4.264 1.00 86.14 C +HETATM 94 CG HYP A 15 -2.631 6.221 4.979 1.00 81.08 C +HETATM 95 CD HYP A 15 -2.933 5.777 6.383 1.00 87.29 C +HETATM 96 OD1 HYP A 15 -3.787 6.776 4.417 1.00 85.78 O +ATOM 97 N GLY A 16 -2.763 1.689 4.083 1.00 92.23 N +ATOM 98 CA GLY A 16 -2.081 0.431 4.075 1.00 92.05 C +ATOM 99 C GLY A 16 -0.614 0.619 3.757 1.00 93.34 C +ATOM 100 O GLY A 16 -0.170 1.719 3.435 1.00 93.07 O +ATOM 101 N PRO A 17 0.149 -0.467 3.849 1.00 90.91 N +ATOM 102 CA PRO A 17 1.573 -0.375 3.564 1.00 91.55 C +ATOM 103 C PRO A 17 1.834 -0.188 2.082 1.00 92.23 C +ATOM 104 O PRO A 17 0.971 -0.451 1.249 1.00 90.74 O +ATOM 105 CB PRO A 17 2.117 -1.712 4.068 1.00 89.72 C +ATOM 106 CG PRO A 17 0.966 -2.633 3.911 1.00 89.06 C +ATOM 107 CD PRO A 17 -0.250 -1.818 4.238 1.00 90.43 C +HETATM 108 N HYP A 18 3.023 0.286 1.759 1.00 87.69 N +HETATM 109 CA HYP A 18 3.410 0.376 0.405 1.00 93.26 C +HETATM 110 C HYP A 18 3.357 -0.936 -0.295 1.00 89.57 C +HETATM 111 O HYP A 18 3.586 -1.999 0.324 1.00 90.51 O +HETATM 112 CB HYP A 18 4.878 0.846 0.516 1.00 88.67 C +HETATM 113 CG HYP A 18 4.931 1.593 1.820 1.00 85.76 C +HETATM 114 CD HYP A 18 3.998 0.774 2.683 1.00 89.99 C +HETATM 115 OD1 HYP A 18 4.384 2.892 1.644 1.00 87.97 O +ATOM 116 N GLY A 19 3.030 -0.908 -1.561 1.00 88.44 N +ATOM 117 CA GLY A 19 3.001 -2.096 -2.359 1.00 88.47 C +ATOM 118 C GLY A 19 4.406 -2.611 -2.597 1.00 89.14 C +ATOM 119 O GLY A 19 5.389 -1.964 -2.262 1.00 89.23 O +ATOM 120 N PRO A 20 4.499 -3.791 -3.176 1.00 82.20 N +ATOM 121 CA PRO A 20 5.804 -4.368 -3.446 1.00 83.37 C +ATOM 122 C PRO A 20 6.512 -3.626 -4.572 1.00 83.34 C +ATOM 123 O PRO A 20 5.893 -2.900 -5.336 1.00 83.27 O +ATOM 124 CB PRO A 20 5.473 -5.805 -3.837 1.00 80.62 C +ATOM 125 CG PRO A 20 4.114 -5.700 -4.431 1.00 76.98 C +ATOM 126 CD PRO A 20 3.410 -4.652 -3.611 1.00 79.18 C +HETATM 127 N HYP A 21 7.820 -3.818 -4.631 1.00 85.26 N +HETATM 128 CA HYP A 21 8.556 -3.254 -5.723 1.00 86.89 C +HETATM 129 C HYP A 21 8.044 -3.664 -7.082 1.00 83.95 C +HETATM 130 O HYP A 21 7.558 -4.793 -7.227 1.00 88.75 O +HETATM 131 CB HYP A 21 9.971 -3.776 -5.524 1.00 82.91 C +HETATM 132 CG HYP A 21 10.064 -4.015 -4.034 1.00 79.03 C +HETATM 133 CD HYP A 21 8.676 -4.511 -3.683 1.00 85.47 C +HETATM 134 OD1 HYP A 21 10.248 -2.758 -3.369 1.00 82.02 O +ATOM 135 N GLY A 22 8.026 -2.736 -8.009 1.00 85.04 N +ATOM 136 CA GLY A 22 7.586 -3.019 -9.338 1.00 82.95 C +ATOM 137 C GLY A 22 8.608 -3.874 -10.068 1.00 83.24 C +ATOM 138 O GLY A 22 9.655 -4.214 -9.516 1.00 82.09 O +ATOM 139 N PRO A 23 8.326 -4.211 -11.310 1.00 85.80 N +ATOM 140 CA PRO A 23 9.267 -5.021 -12.073 1.00 86.75 C +ATOM 141 C PRO A 23 10.552 -4.262 -12.326 1.00 85.70 C +ATOM 142 O PRO A 23 10.589 -3.043 -12.297 1.00 81.51 O +ATOM 143 CB PRO A 23 8.513 -5.323 -13.360 1.00 81.95 C +ATOM 144 CG PRO A 23 7.569 -4.187 -13.494 1.00 79.08 C +ATOM 145 CD PRO A 23 7.159 -3.848 -12.087 1.00 81.57 C +HETATM 146 N HYP A 24 11.576 -4.894 -12.565 1.00 88.27 N +HETATM 147 CA HYP A 24 12.858 -4.233 -12.744 1.00 81.43 C +HETATM 148 C HYP A 24 12.802 -2.802 -12.958 1.00 84.15 C +HETATM 149 O HYP A 24 12.947 -2.331 -14.091 1.00 78.84 O +HETATM 150 CB HYP A 24 13.657 -5.106 -13.593 1.00 82.72 C +HETATM 151 CG HYP A 24 13.004 -6.458 -13.530 1.00 81.36 C +HETATM 152 CD HYP A 24 11.562 -6.190 -13.133 1.00 85.57 C +HETATM 153 OD1 HYP A 24 13.564 -7.235 -12.477 1.00 80.17 O +HETATM 154 OXT HYP A 24 12.668 -2.116 -11.922 1.00 77.81 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_178.txt b/protein_pdb_178.txt new file mode 100644 index 0000000000000000000000000000000000000000..19e39c13008b4e914026586a7bec83b49e1bbbc8 --- /dev/null +++ b/protein_pdb_178.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 5.672 -15.197 -1.135 1.00 86.44 N +ATOM 2 CA GLY A 1 5.982 -14.376 -2.294 1.00 87.80 C +ATOM 3 C GLY A 1 6.350 -12.974 -1.885 1.00 88.70 C +ATOM 4 O GLY A 1 6.280 -12.632 -0.706 1.00 85.67 O +ATOM 5 N PRO A 2 6.728 -12.153 -2.843 1.00 87.51 N +ATOM 6 CA PRO A 2 7.134 -10.782 -2.537 1.00 88.57 C +ATOM 7 C PRO A 2 5.945 -9.901 -2.182 1.00 88.51 C +ATOM 8 O PRO A 2 4.798 -10.247 -2.440 1.00 86.50 O +ATOM 9 CB PRO A 2 7.799 -10.320 -3.828 1.00 85.69 C +ATOM 10 CG PRO A 2 7.101 -11.097 -4.884 1.00 81.30 C +ATOM 11 CD PRO A 2 6.832 -12.444 -4.274 1.00 82.04 C +HETATM 12 N HYP A 3 6.256 -8.823 -1.586 1.00 87.77 N +HETATM 13 CA HYP A 3 5.213 -7.806 -1.304 1.00 86.05 C +HETATM 14 C HYP A 3 4.501 -7.358 -2.559 1.00 90.17 C +HETATM 15 O HYP A 3 5.117 -7.351 -3.653 1.00 91.13 O +HETATM 16 CB HYP A 3 6.071 -6.631 -0.711 1.00 88.30 C +HETATM 17 CG HYP A 3 7.283 -7.322 -0.104 1.00 84.06 C +HETATM 18 CD HYP A 3 7.579 -8.445 -1.145 1.00 88.48 C +HETATM 19 OD1 HYP A 3 6.896 -7.907 1.103 1.00 86.23 O +ATOM 20 N GLY A 4 3.246 -7.060 -2.426 1.00 90.94 N +ATOM 21 CA GLY A 4 2.482 -6.570 -3.538 1.00 90.85 C +ATOM 22 C GLY A 4 2.902 -5.166 -3.923 1.00 91.42 C +ATOM 23 O GLY A 4 3.669 -4.513 -3.212 1.00 91.51 O +ATOM 24 N PRO A 5 2.413 -4.702 -5.056 1.00 90.21 N +ATOM 25 CA PRO A 5 2.774 -3.364 -5.512 1.00 89.97 C +ATOM 26 C PRO A 5 2.108 -2.286 -4.678 1.00 90.20 C +ATOM 27 O PRO A 5 1.116 -2.529 -3.999 1.00 89.35 O +ATOM 28 CB PRO A 5 2.261 -3.345 -6.947 1.00 88.14 C +ATOM 29 CG PRO A 5 1.100 -4.278 -6.921 1.00 86.34 C +ATOM 30 CD PRO A 5 1.497 -5.370 -5.971 1.00 88.70 C +HETATM 31 N HYP A 6 2.708 -1.084 -4.721 1.00 92.77 N +HETATM 32 CA HYP A 6 2.066 0.038 -4.105 1.00 93.75 C +HETATM 33 C HYP A 6 0.700 0.301 -4.672 1.00 93.79 C +HETATM 34 O HYP A 6 0.453 -0.011 -5.875 1.00 92.04 O +HETATM 35 CB HYP A 6 3.053 1.218 -4.502 1.00 89.27 C +HETATM 36 CG HYP A 6 4.382 0.534 -4.637 1.00 86.88 C +HETATM 37 CD HYP A 6 4.009 -0.781 -5.299 1.00 90.74 C +HETATM 38 OD1 HYP A 6 4.913 0.292 -3.361 1.00 88.22 O +ATOM 39 N GLY A 7 -0.178 0.770 -3.865 1.00 91.31 N +ATOM 40 CA GLY A 7 -1.504 1.107 -4.312 1.00 90.76 C +ATOM 41 C GLY A 7 -1.470 2.262 -5.287 1.00 91.50 C +ATOM 42 O GLY A 7 -0.462 2.951 -5.434 1.00 91.22 O +ATOM 43 N PRO A 8 -2.593 2.471 -5.966 1.00 92.40 N +ATOM 44 CA PRO A 8 -2.650 3.550 -6.946 1.00 92.46 C +ATOM 45 C PRO A 8 -2.727 4.914 -6.281 1.00 92.71 C +ATOM 46 O PRO A 8 -3.174 5.048 -5.145 1.00 91.42 O +ATOM 47 CB PRO A 8 -3.916 3.236 -7.727 1.00 90.22 C +ATOM 48 CG PRO A 8 -4.776 2.535 -6.739 1.00 88.81 C +ATOM 49 CD PRO A 8 -3.841 1.720 -5.902 1.00 90.69 C +HETATM 50 N HYP A 9 -2.294 5.931 -7.046 1.00 90.58 N +HETATM 51 CA HYP A 9 -2.430 7.269 -6.568 1.00 91.09 C +HETATM 52 C HYP A 9 -3.893 7.692 -6.496 1.00 91.49 C +HETATM 53 O HYP A 9 -4.703 7.241 -7.330 1.00 89.55 O +HETATM 54 CB HYP A 9 -1.798 8.126 -7.747 1.00 86.02 C +HETATM 55 CG HYP A 9 -0.906 7.179 -8.452 1.00 85.19 C +HETATM 56 CD HYP A 9 -1.582 5.869 -8.353 1.00 89.92 C +HETATM 57 OD1 HYP A 9 0.306 7.119 -7.716 1.00 84.00 O +ATOM 58 N GLY A 10 -4.300 8.424 -5.565 1.00 88.78 N +ATOM 59 CA GLY A 10 -5.625 8.995 -5.523 1.00 85.65 C +ATOM 60 C GLY A 10 -5.636 10.354 -6.198 1.00 86.14 C +ATOM 61 O GLY A 10 -4.616 10.828 -6.690 1.00 85.38 O +ATOM 62 N VAL A 11 -6.804 10.981 -6.198 1.00 91.76 N +ATOM 63 CA VAL A 11 -6.907 12.319 -6.768 1.00 93.23 C +ATOM 64 C VAL A 11 -5.914 13.255 -6.086 1.00 93.24 C +ATOM 65 O VAL A 11 -5.265 14.082 -6.733 1.00 91.95 O +ATOM 66 CB VAL A 11 -8.348 12.852 -6.640 1.00 91.69 C +ATOM 67 CG1 VAL A 11 -8.425 14.305 -7.065 1.00 85.44 C +ATOM 68 CG2 VAL A 11 -9.278 12.004 -7.479 1.00 85.95 C +ATOM 69 N MET A 12 -5.801 13.104 -4.769 1.00 93.07 N +ATOM 70 CA MET A 12 -4.836 13.853 -3.975 1.00 93.90 C +ATOM 71 C MET A 12 -3.917 12.942 -3.194 1.00 93.95 C +ATOM 72 O MET A 12 -2.973 13.418 -2.561 1.00 89.76 O +ATOM 73 CB MET A 12 -5.550 14.784 -2.993 1.00 91.03 C +ATOM 74 CG MET A 12 -6.414 15.829 -3.647 1.00 84.16 C +ATOM 75 SD MET A 12 -7.234 16.875 -2.440 1.00 80.00 S +ATOM 76 CE MET A 12 -5.865 17.853 -1.875 1.00 72.88 C +ATOM 77 N GLY A 13 -4.202 11.660 -3.205 1.00 93.06 N +ATOM 78 CA GLY A 13 -3.509 10.722 -2.353 1.00 92.07 C +ATOM 79 C GLY A 13 -2.255 10.128 -2.948 1.00 92.71 C +ATOM 80 O GLY A 13 -2.136 9.969 -4.163 1.00 93.05 O +ATOM 81 N PRO A 14 -1.331 9.787 -2.083 1.00 92.13 N +ATOM 82 CA PRO A 14 -0.121 9.111 -2.516 1.00 91.87 C +ATOM 83 C PRO A 14 -0.402 7.649 -2.803 1.00 92.02 C +ATOM 84 O PRO A 14 -1.477 7.135 -2.496 1.00 90.71 O +ATOM 85 CB PRO A 14 0.802 9.264 -1.312 1.00 89.89 C +ATOM 86 CG PRO A 14 -0.134 9.228 -0.155 1.00 88.46 C +ATOM 87 CD PRO A 14 -1.356 9.971 -0.627 1.00 89.26 C +HETATM 88 N HYP A 15 0.601 7.013 -3.367 1.00 90.88 N +HETATM 89 CA HYP A 15 0.467 5.584 -3.542 1.00 93.05 C +HETATM 90 C HYP A 15 0.272 4.883 -2.229 1.00 92.95 C +HETATM 91 O HYP A 15 0.807 5.334 -1.191 1.00 92.24 O +HETATM 92 CB HYP A 15 1.883 5.204 -4.125 1.00 89.07 C +HETATM 93 CG HYP A 15 2.349 6.453 -4.799 1.00 86.49 C +HETATM 94 CD HYP A 15 1.858 7.542 -3.890 1.00 89.96 C +HETATM 95 OD1 HYP A 15 1.736 6.554 -6.048 1.00 88.79 O +ATOM 96 N GLY A 16 -0.502 3.857 -2.263 1.00 94.34 N +ATOM 97 CA GLY A 16 -0.678 3.056 -1.081 1.00 93.79 C +ATOM 98 C GLY A 16 0.571 2.262 -0.777 1.00 94.43 C +ATOM 99 O GLY A 16 1.508 2.215 -1.574 1.00 94.35 O +ATOM 100 N PRO A 17 0.582 1.634 0.392 1.00 91.92 N +ATOM 101 CA PRO A 17 1.736 0.830 0.764 1.00 91.46 C +ATOM 102 C PRO A 17 1.784 -0.461 -0.039 1.00 92.02 C +ATOM 103 O PRO A 17 0.793 -0.882 -0.624 1.00 90.76 O +ATOM 104 CB PRO A 17 1.503 0.562 2.247 1.00 89.77 C +ATOM 105 CG PRO A 17 0.022 0.576 2.376 1.00 88.94 C +ATOM 106 CD PRO A 17 -0.452 1.636 1.420 1.00 90.32 C +HETATM 107 N HYP A 18 2.967 -1.064 -0.052 1.00 88.55 N +HETATM 108 CA HYP A 18 3.073 -2.363 -0.654 1.00 91.27 C +HETATM 109 C HYP A 18 2.147 -3.361 -0.027 1.00 90.85 C +HETATM 110 O HYP A 18 1.856 -3.264 1.183 1.00 90.27 O +HETATM 111 CB HYP A 18 4.540 -2.730 -0.348 1.00 88.26 C +HETATM 112 CG HYP A 18 5.255 -1.405 -0.230 1.00 85.89 C +HETATM 113 CD HYP A 18 4.218 -0.539 0.454 1.00 90.47 C +HETATM 114 OD1 HYP A 18 5.504 -0.898 -1.528 1.00 88.55 O +ATOM 115 N GLY A 19 1.646 -4.247 -0.802 1.00 88.92 N +ATOM 116 CA GLY A 19 0.809 -5.294 -0.292 1.00 88.66 C +ATOM 117 C GLY A 19 1.602 -6.253 0.573 1.00 89.22 C +ATOM 118 O GLY A 19 2.824 -6.178 0.650 1.00 89.62 O +ATOM 119 N PRO A 20 0.892 -7.154 1.225 1.00 80.41 N +ATOM 120 CA PRO A 20 1.564 -8.118 2.084 1.00 80.48 C +ATOM 121 C PRO A 20 2.320 -9.148 1.262 1.00 80.41 C +ATOM 122 O PRO A 20 2.082 -9.305 0.069 1.00 81.48 O +ATOM 123 CB PRO A 20 0.410 -8.752 2.851 1.00 77.88 C +ATOM 124 CG PRO A 20 -0.735 -8.641 1.912 1.00 74.54 C +ATOM 125 CD PRO A 20 -0.551 -7.327 1.198 1.00 74.78 C +HETATM 126 N HYP A 21 3.233 -9.811 1.933 1.00 87.36 N +HETATM 127 CA HYP A 21 3.914 -10.910 1.275 1.00 88.99 C +HETATM 128 C HYP A 21 2.958 -11.966 0.753 1.00 88.09 C +HETATM 129 O HYP A 21 1.912 -12.164 1.348 1.00 89.72 O +HETATM 130 CB HYP A 21 4.822 -11.465 2.365 1.00 84.84 C +HETATM 131 CG HYP A 21 5.075 -10.297 3.298 1.00 79.46 C +HETATM 132 CD HYP A 21 3.752 -9.568 3.307 1.00 86.48 C +HETATM 133 OD1 HYP A 21 6.045 -9.428 2.711 1.00 86.18 O +ATOM 134 N GLY A 22 3.256 -12.501 -0.388 1.00 88.84 N +ATOM 135 CA GLY A 22 2.434 -13.525 -0.966 1.00 86.98 C +ATOM 136 C GLY A 22 2.482 -14.799 -0.142 1.00 86.80 C +ATOM 137 O GLY A 22 3.188 -14.876 0.862 1.00 86.62 O +ATOM 138 N PRO A 23 1.753 -15.818 -0.569 1.00 86.53 N +ATOM 139 CA PRO A 23 1.765 -17.098 0.149 1.00 86.18 C +ATOM 140 C PRO A 23 3.175 -17.644 0.249 1.00 84.84 C +ATOM 141 O PRO A 23 4.001 -17.424 -0.637 1.00 81.45 O +ATOM 142 CB PRO A 23 0.887 -17.986 -0.709 1.00 81.86 C +ATOM 143 CG PRO A 23 -0.009 -17.029 -1.400 1.00 78.81 C +ATOM 144 CD PRO A 23 0.847 -15.839 -1.694 1.00 80.57 C +HETATM 145 N HYP A 24 3.501 -18.338 1.245 1.00 90.09 N +HETATM 146 CA HYP A 24 4.874 -18.780 1.413 1.00 87.51 C +HETATM 147 C HYP A 24 5.792 -18.450 0.380 1.00 87.76 C +HETATM 148 O HYP A 24 6.366 -19.324 -0.257 1.00 80.21 O +HETATM 149 CB HYP A 24 4.873 -19.822 2.388 1.00 83.83 C +HETATM 150 CG HYP A 24 3.425 -19.972 2.880 1.00 83.74 C +HETATM 151 CD HYP A 24 2.573 -19.016 2.057 1.00 87.23 C +HETATM 152 OD1 HYP A 24 3.327 -19.538 4.236 1.00 82.34 O +HETATM 153 OXT HYP A 24 6.013 -17.234 0.213 1.00 80.11 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_179.txt b/protein_pdb_179.txt new file mode 100644 index 0000000000000000000000000000000000000000..77919c951999d4e6445c015bcb240d99119fb761 --- /dev/null +++ b/protein_pdb_179.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 28.793 -17.153 10.683 1.00 89.91 N +ATOM 2 CA GLY A 1 27.775 -16.724 11.635 1.00 92.14 C +ATOM 3 C GLY A 1 26.386 -16.829 11.051 1.00 92.23 C +ATOM 4 O GLY A 1 26.230 -17.048 9.848 1.00 90.16 O +ATOM 5 N PRO A 2 25.355 -16.671 11.859 1.00 92.21 N +ATOM 6 CA PRO A 2 23.986 -16.753 11.361 1.00 93.79 C +ATOM 7 C PRO A 2 23.618 -15.547 10.514 1.00 93.63 C +ATOM 8 O PRO A 2 24.254 -14.511 10.583 1.00 92.49 O +ATOM 9 CB PRO A 2 23.153 -16.816 12.647 1.00 91.87 C +ATOM 10 CG PRO A 2 23.972 -16.026 13.611 1.00 88.37 C +ATOM 11 CD PRO A 2 25.400 -16.418 13.294 1.00 89.99 C +HETATM 12 N HYP A 3 22.675 -15.686 9.733 1.00 93.37 N +HETATM 13 CA HYP A 3 22.116 -14.578 8.910 1.00 92.35 C +HETATM 14 C HYP A 3 21.730 -13.401 9.771 1.00 92.65 C +HETATM 15 O HYP A 3 21.354 -13.569 10.927 1.00 93.15 O +HETATM 16 CB HYP A 3 20.931 -15.200 8.230 1.00 92.82 C +HETATM 17 CG HYP A 3 21.228 -16.671 8.184 1.00 90.41 C +HETATM 18 CD HYP A 3 21.966 -16.905 9.511 1.00 92.68 C +HETATM 19 OD1 HYP A 3 22.054 -16.981 7.111 1.00 92.20 O +ATOM 20 N GLY A 4 21.799 -12.229 9.205 1.00 93.70 N +ATOM 21 CA GLY A 4 21.387 -11.045 9.915 1.00 93.25 C +ATOM 22 C GLY A 4 19.871 -11.018 10.064 1.00 93.44 C +ATOM 23 O GLY A 4 19.173 -11.841 9.462 1.00 94.06 O +ATOM 24 N PRO A 5 19.372 -10.082 10.849 1.00 93.50 N +ATOM 25 CA PRO A 5 17.922 -10.001 11.050 1.00 94.08 C +ATOM 26 C PRO A 5 17.215 -9.526 9.783 1.00 93.91 C +ATOM 27 O PRO A 5 17.819 -8.890 8.926 1.00 94.10 O +ATOM 28 CB PRO A 5 17.779 -8.997 12.189 1.00 92.67 C +ATOM 29 CG PRO A 5 18.972 -8.113 12.010 1.00 89.35 C +ATOM 30 CD PRO A 5 20.076 -9.052 11.598 1.00 91.32 C +HETATM 31 N HYP A 6 15.959 -9.844 9.667 1.00 92.89 N +HETATM 32 CA HYP A 6 15.139 -9.326 8.553 1.00 93.95 C +HETATM 33 C HYP A 6 15.111 -7.835 8.496 1.00 89.16 C +HETATM 34 O HYP A 6 15.196 -7.158 9.550 1.00 90.83 O +HETATM 35 CB HYP A 6 13.753 -9.894 8.830 1.00 84.67 C +HETATM 36 CG HYP A 6 14.002 -11.115 9.671 1.00 84.31 C +HETATM 37 CD HYP A 6 15.195 -10.706 10.488 1.00 86.80 C +HETATM 38 OD1 HYP A 6 14.298 -12.229 8.880 1.00 90.10 O +ATOM 39 N GLY A 7 15.000 -7.283 7.294 1.00 94.61 N +ATOM 40 CA GLY A 7 14.918 -5.857 7.124 1.00 93.96 C +ATOM 41 C GLY A 7 13.609 -5.339 7.690 1.00 94.02 C +ATOM 42 O GLY A 7 12.709 -6.115 8.022 1.00 93.75 O +ATOM 43 N PRO A 8 13.480 -4.025 7.787 1.00 88.92 N +ATOM 44 CA PRO A 8 12.255 -3.445 8.322 1.00 89.06 C +ATOM 45 C PRO A 8 11.082 -3.652 7.371 1.00 88.31 C +ATOM 46 O PRO A 8 11.270 -3.806 6.173 1.00 88.51 O +ATOM 47 CB PRO A 8 12.600 -1.968 8.485 1.00 87.79 C +ATOM 48 CG PRO A 8 13.632 -1.744 7.429 1.00 87.48 C +ATOM 49 CD PRO A 8 14.456 -3.007 7.433 1.00 88.28 C +HETATM 50 N HYP A 9 9.889 -3.631 7.866 1.00 87.37 N +HETATM 51 CA HYP A 9 8.695 -3.759 7.076 1.00 90.99 C +HETATM 52 C HYP A 9 8.544 -2.612 6.107 1.00 88.75 C +HETATM 53 O HYP A 9 8.888 -1.453 6.413 1.00 87.41 O +HETATM 54 CB HYP A 9 7.543 -3.683 8.127 1.00 87.86 C +HETATM 55 CG HYP A 9 8.183 -4.192 9.379 1.00 85.23 C +HETATM 56 CD HYP A 9 9.578 -3.661 9.258 1.00 87.69 C +HETATM 57 OD1 HYP A 9 8.192 -5.596 9.359 1.00 87.04 O +ATOM 58 N GLY A 10 7.990 -2.909 4.927 1.00 92.43 N +ATOM 59 CA GLY A 10 7.727 -1.870 3.963 1.00 90.67 C +ATOM 60 C GLY A 10 6.630 -0.959 4.471 1.00 90.75 C +ATOM 61 O GLY A 10 5.840 -1.321 5.344 1.00 89.97 O +ATOM 62 N ARG A 11 6.568 0.229 3.906 1.00 91.04 N +ATOM 63 CA ARG A 11 5.528 1.190 4.282 1.00 91.26 C +ATOM 64 C ARG A 11 4.173 0.714 3.776 1.00 90.83 C +ATOM 65 O ARG A 11 4.081 0.048 2.745 1.00 89.47 O +ATOM 66 CB ARG A 11 5.823 2.562 3.693 1.00 88.16 C +ATOM 67 CG ARG A 11 7.031 3.249 4.297 1.00 82.02 C +ATOM 68 CD ARG A 11 7.264 4.597 3.652 1.00 78.69 C +ATOM 69 NE ARG A 11 6.136 5.490 3.830 1.00 75.48 N +ATOM 70 CZ ARG A 11 6.088 6.759 3.415 1.00 71.28 C +ATOM 71 NH1 ARG A 11 7.130 7.292 2.801 1.00 69.19 N +ATOM 72 NH2 ARG A 11 5.005 7.480 3.612 1.00 65.99 N +ATOM 73 N ALA A 12 3.126 1.088 4.499 1.00 90.10 N +ATOM 74 CA ALA A 12 1.786 0.769 4.044 1.00 90.66 C +ATOM 75 C ALA A 12 1.540 1.501 2.733 1.00 91.18 C +ATOM 76 O ALA A 12 2.001 2.627 2.546 1.00 86.72 O +ATOM 77 CB ALA A 12 0.755 1.196 5.082 1.00 87.39 C +ATOM 78 N GLY A 13 0.848 0.835 1.818 1.00 90.06 N +ATOM 79 CA GLY A 13 0.575 1.454 0.539 1.00 88.99 C +ATOM 80 C GLY A 13 -0.374 2.627 0.670 1.00 89.64 C +ATOM 81 O GLY A 13 -1.054 2.774 1.689 1.00 90.13 O +ATOM 82 N PRO A 14 -0.439 3.481 -0.350 1.00 89.13 N +ATOM 83 CA PRO A 14 -1.332 4.627 -0.317 1.00 89.97 C +ATOM 84 C PRO A 14 -2.776 4.188 -0.480 1.00 89.81 C +ATOM 85 O PRO A 14 -3.050 3.085 -0.945 1.00 89.81 O +ATOM 86 CB PRO A 14 -0.869 5.476 -1.498 1.00 88.15 C +ATOM 87 CG PRO A 14 -0.357 4.460 -2.461 1.00 87.12 C +ATOM 88 CD PRO A 14 0.339 3.442 -1.593 1.00 87.55 C +HETATM 89 N HYP A 15 -3.726 5.039 -0.080 1.00 82.17 N +HETATM 90 CA HYP A 15 -5.124 4.772 -0.319 1.00 86.76 C +HETATM 91 C HYP A 15 -5.421 4.545 -1.777 1.00 85.88 C +HETATM 92 O HYP A 15 -4.768 5.142 -2.657 1.00 82.82 O +HETATM 93 CB HYP A 15 -5.795 6.029 0.206 1.00 83.42 C +HETATM 94 CG HYP A 15 -4.833 6.532 1.242 1.00 81.41 C +HETATM 95 CD HYP A 15 -3.505 6.235 0.639 1.00 81.06 C +HETATM 96 OD1 HYP A 15 -4.970 5.845 2.448 1.00 84.11 O +ATOM 97 N GLY A 16 -6.349 3.670 -2.059 1.00 90.13 N +ATOM 98 CA GLY A 16 -6.736 3.416 -3.421 1.00 88.25 C +ATOM 99 C GLY A 16 -7.419 4.635 -4.027 1.00 89.24 C +ATOM 100 O GLY A 16 -7.794 5.566 -3.314 1.00 90.49 O +ATOM 101 N PRO A 17 -7.588 4.632 -5.347 1.00 87.41 N +ATOM 102 CA PRO A 17 -8.232 5.759 -6.004 1.00 88.05 C +ATOM 103 C PRO A 17 -9.716 5.805 -5.699 1.00 88.03 C +ATOM 104 O PRO A 17 -10.313 4.808 -5.315 1.00 90.17 O +ATOM 105 CB PRO A 17 -7.962 5.498 -7.485 1.00 86.90 C +ATOM 106 CG PRO A 17 -7.892 4.006 -7.559 1.00 84.27 C +ATOM 107 CD PRO A 17 -7.165 3.609 -6.302 1.00 84.74 C +HETATM 108 N HYP A 18 -10.349 6.973 -5.861 1.00 88.39 N +HETATM 109 CA HYP A 18 -11.758 7.094 -5.702 1.00 92.46 C +HETATM 110 C HYP A 18 -12.546 6.218 -6.643 1.00 88.37 C +HETATM 111 O HYP A 18 -12.097 5.938 -7.776 1.00 89.79 O +HETATM 112 CB HYP A 18 -12.022 8.574 -6.015 1.00 88.27 C +HETATM 113 CG HYP A 18 -10.710 9.265 -5.763 1.00 85.09 C +HETATM 114 CD HYP A 18 -9.710 8.232 -6.151 1.00 88.61 C +HETATM 115 OD1 HYP A 18 -10.545 9.587 -4.400 1.00 90.51 O +ATOM 116 N GLY A 19 -13.666 5.687 -6.190 1.00 92.24 N +ATOM 117 CA GLY A 19 -14.483 4.844 -7.013 1.00 91.87 C +ATOM 118 C GLY A 19 -15.064 5.630 -8.175 1.00 92.34 C +ATOM 119 O GLY A 19 -15.013 6.863 -8.196 1.00 92.44 O +ATOM 120 N PRO A 20 -15.628 4.927 -9.150 1.00 88.20 N +ATOM 121 CA PRO A 20 -16.210 5.603 -10.305 1.00 88.27 C +ATOM 122 C PRO A 20 -17.497 6.318 -9.930 1.00 87.64 C +ATOM 123 O PRO A 20 -18.139 5.987 -8.937 1.00 87.75 O +ATOM 124 CB PRO A 20 -16.455 4.457 -11.284 1.00 85.87 C +ATOM 125 CG PRO A 20 -16.698 3.287 -10.393 1.00 82.97 C +ATOM 126 CD PRO A 20 -15.718 3.472 -9.262 1.00 84.06 C +HETATM 127 N HYP A 21 -17.909 7.323 -10.708 1.00 93.16 N +HETATM 128 CA HYP A 21 -19.155 7.991 -10.512 1.00 91.99 C +HETATM 129 C HYP A 21 -20.365 7.087 -10.595 1.00 93.55 C +HETATM 130 O HYP A 21 -20.325 6.120 -11.364 1.00 94.36 O +HETATM 131 CB HYP A 21 -19.213 9.024 -11.684 1.00 90.93 C +HETATM 132 CG HYP A 21 -17.761 9.313 -12.004 1.00 88.85 C +HETATM 133 CD HYP A 21 -17.107 7.970 -11.757 1.00 92.16 C +HETATM 134 OD1 HYP A 21 -17.227 10.255 -11.095 1.00 90.83 O +ATOM 135 N GLY A 22 -21.357 7.275 -9.764 1.00 91.74 N +ATOM 136 CA GLY A 22 -22.536 6.459 -9.762 1.00 91.15 C +ATOM 137 C GLY A 22 -23.317 6.649 -11.051 1.00 91.34 C +ATOM 138 O GLY A 22 -23.053 7.577 -11.818 1.00 90.66 O +ATOM 139 N PRO A 23 -24.312 5.805 -11.299 1.00 92.90 N +ATOM 140 CA PRO A 23 -25.105 5.932 -12.515 1.00 93.25 C +ATOM 141 C PRO A 23 -26.027 7.129 -12.438 1.00 92.60 C +ATOM 142 O PRO A 23 -26.323 7.632 -11.356 1.00 90.51 O +ATOM 143 CB PRO A 23 -25.873 4.608 -12.564 1.00 90.29 C +ATOM 144 CG PRO A 23 -26.034 4.260 -11.125 1.00 87.07 C +ATOM 145 CD PRO A 23 -24.717 4.656 -10.495 1.00 89.87 C +HETATM 146 N HYP A 24 -26.576 7.600 -13.564 1.00 93.87 N +HETATM 147 CA HYP A 24 -27.481 8.718 -13.489 1.00 90.83 C +HETATM 148 C HYP A 24 -28.746 8.256 -12.792 1.00 90.15 C +HETATM 149 O HYP A 24 -29.012 8.826 -11.785 1.00 91.32 O +HETATM 150 CB HYP A 24 -27.867 9.035 -14.977 1.00 92.31 C +HETATM 151 CG HYP A 24 -26.784 8.447 -15.787 1.00 91.76 C +HETATM 152 CD HYP A 24 -26.289 7.254 -14.950 1.00 92.49 C +HETATM 153 OD1 HYP A 24 -25.744 9.388 -15.908 1.00 88.63 O +HETATM 154 OXT HYP A 24 -29.428 7.305 -13.307 1.00 87.65 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_18.txt b/protein_pdb_18.txt new file mode 100644 index 0000000000000000000000000000000000000000..aba05ae6360290d516994757dd9ff48d09c75bac --- /dev/null +++ b/protein_pdb_18.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -29.597 17.716 -2.423 1.00 79.34 N +ATOM 2 CA GLY A 1 -28.408 18.187 -1.713 1.00 82.42 C +ATOM 3 C GLY A 1 -27.179 18.135 -2.591 1.00 82.83 C +ATOM 4 O GLY A 1 -27.219 17.592 -3.696 1.00 80.70 O +ATOM 5 N PRO A 2 -26.073 18.694 -2.128 1.00 82.41 N +ATOM 6 CA PRO A 2 -24.832 18.695 -2.904 1.00 86.56 C +ATOM 7 C PRO A 2 -24.233 17.304 -3.008 1.00 86.22 C +ATOM 8 O PRO A 2 -24.569 16.405 -2.241 1.00 85.35 O +ATOM 9 CB PRO A 2 -23.926 19.643 -2.121 1.00 84.03 C +ATOM 10 CG PRO A 2 -24.402 19.524 -0.726 1.00 78.38 C +ATOM 11 CD PRO A 2 -25.900 19.337 -0.821 1.00 79.20 C +HETATM 12 N HYP A 3 -23.429 17.157 -3.940 1.00 85.35 N +HETATM 13 CA HYP A 3 -22.641 15.871 -4.108 1.00 85.06 C +HETATM 14 C HYP A 3 -21.842 15.557 -2.875 1.00 82.59 C +HETATM 15 O HYP A 3 -21.373 16.461 -2.173 1.00 84.23 O +HETATM 16 CB HYP A 3 -21.771 16.186 -5.311 1.00 81.24 C +HETATM 17 CG HYP A 3 -22.540 17.247 -6.120 1.00 79.19 C +HETATM 18 CD HYP A 3 -23.149 18.112 -4.993 1.00 82.52 C +HETATM 19 OD1 HYP A 3 -23.576 16.680 -6.859 1.00 83.92 O +ATOM 20 N GLY A 4 -21.706 14.244 -2.581 1.00 88.32 N +ATOM 21 CA GLY A 4 -20.953 13.804 -1.433 1.00 87.59 C +ATOM 22 C GLY A 4 -19.467 14.088 -1.597 1.00 87.21 C +ATOM 23 O GLY A 4 -18.998 14.426 -2.685 1.00 86.88 O +ATOM 24 N PRO A 5 -18.717 13.947 -0.511 1.00 84.20 N +ATOM 25 CA PRO A 5 -17.279 14.191 -0.570 1.00 85.69 C +ATOM 26 C PRO A 5 -16.562 13.094 -1.347 1.00 85.00 C +ATOM 27 O PRO A 5 -17.101 12.012 -1.558 1.00 83.74 O +ATOM 28 CB PRO A 5 -16.860 14.205 0.900 1.00 83.40 C +ATOM 29 CG PRO A 5 -17.853 13.305 1.551 1.00 80.85 C +ATOM 30 CD PRO A 5 -19.155 13.533 0.814 1.00 82.04 C +HETATM 31 N HYP A 6 -15.374 13.406 -1.790 1.00 86.05 N +HETATM 32 CA HYP A 6 -14.506 12.335 -2.375 1.00 90.08 C +HETATM 33 C HYP A 6 -14.300 11.190 -1.482 1.00 85.08 C +HETATM 34 O HYP A 6 -14.265 11.349 -0.251 1.00 84.41 O +HETATM 35 CB HYP A 6 -13.219 13.124 -2.681 1.00 83.55 C +HETATM 36 CG HYP A 6 -13.673 14.569 -2.903 1.00 82.69 C +HETATM 37 CD HYP A 6 -14.761 14.701 -1.843 1.00 84.69 C +HETATM 38 OD1 HYP A 6 -14.220 14.757 -4.181 1.00 82.64 O +ATOM 39 N GLY A 7 -14.197 9.961 -2.036 1.00 89.74 N +ATOM 40 CA GLY A 7 -14.005 8.751 -1.280 1.00 88.27 C +ATOM 41 C GLY A 7 -12.665 8.726 -0.575 1.00 88.21 C +ATOM 42 O GLY A 7 -11.799 9.572 -0.815 1.00 87.33 O +ATOM 43 N PRO A 8 -12.471 7.739 0.298 1.00 83.61 N +ATOM 44 CA PRO A 8 -11.214 7.619 1.026 1.00 83.99 C +ATOM 45 C PRO A 8 -10.086 7.158 0.110 1.00 83.51 C +ATOM 46 O PRO A 8 -10.320 6.676 -0.994 1.00 82.27 O +ATOM 47 CB PRO A 8 -11.521 6.587 2.104 1.00 82.09 C +ATOM 48 CG PRO A 8 -12.566 5.730 1.480 1.00 82.01 C +ATOM 49 CD PRO A 8 -13.406 6.677 0.653 1.00 83.00 C +HETATM 50 N HYP A 9 -8.878 7.304 0.543 1.00 82.18 N +HETATM 51 CA HYP A 9 -7.727 6.767 -0.159 1.00 86.17 C +HETATM 52 C HYP A 9 -7.823 5.320 -0.376 1.00 83.59 C +HETATM 53 O HYP A 9 -8.339 4.578 0.453 1.00 82.89 O +HETATM 54 CB HYP A 9 -6.574 7.130 0.782 1.00 81.78 C +HETATM 55 CG HYP A 9 -7.051 8.305 1.543 1.00 80.99 C +HETATM 56 CD HYP A 9 -8.503 8.004 1.723 1.00 83.57 C +HETATM 57 OD1 HYP A 9 -6.898 9.503 0.799 1.00 82.08 O +ATOM 58 N GLY A 10 -7.279 4.833 -1.500 1.00 86.62 N +ATOM 59 CA GLY A 10 -7.287 3.430 -1.826 1.00 84.06 C +ATOM 60 C GLY A 10 -6.467 2.617 -0.833 1.00 84.10 C +ATOM 61 O GLY A 10 -5.819 3.163 0.060 1.00 83.28 O +ATOM 62 N PRO A 11 -6.470 1.283 -1.008 1.00 82.08 N +ATOM 63 CA PRO A 11 -5.700 0.443 -0.092 1.00 83.33 C +ATOM 64 C PRO A 11 -4.208 0.688 -0.211 1.00 82.47 C +ATOM 65 O PRO A 11 -3.706 1.156 -1.232 1.00 80.36 O +ATOM 66 CB PRO A 11 -6.062 -0.994 -0.503 1.00 81.38 C +ATOM 67 CG PRO A 11 -6.836 -0.890 -1.734 1.00 81.94 C +ATOM 68 CD PRO A 11 -7.202 0.527 -2.009 1.00 81.32 C +ATOM 69 N ALA A 12 -3.494 0.372 0.864 1.00 82.35 N +ATOM 70 CA ALA A 12 -2.053 0.504 0.856 1.00 82.12 C +ATOM 71 C ALA A 12 -1.453 -0.406 -0.203 1.00 83.29 C +ATOM 72 O ALA A 12 -2.017 -1.454 -0.535 1.00 78.77 O +ATOM 73 CB ALA A 12 -1.477 0.162 2.228 1.00 78.13 C +ATOM 74 N GLY A 13 -0.327 0.016 -0.728 1.00 83.46 N +ATOM 75 CA GLY A 13 0.343 -0.779 -1.738 1.00 81.46 C +ATOM 76 C GLY A 13 0.865 -2.089 -1.183 1.00 82.03 C +ATOM 77 O GLY A 13 0.836 -2.326 0.030 1.00 81.79 O +ATOM 78 N PRO A 14 1.355 -2.969 -2.059 1.00 81.13 N +ATOM 79 CA PRO A 14 1.862 -4.264 -1.624 1.00 82.87 C +ATOM 80 C PRO A 14 3.165 -4.119 -0.847 1.00 82.50 C +ATOM 81 O PRO A 14 3.829 -3.093 -0.901 1.00 81.91 O +ATOM 82 CB PRO A 14 2.082 -5.024 -2.939 1.00 81.76 C +ATOM 83 CG PRO A 14 2.345 -3.954 -3.929 1.00 79.41 C +ATOM 84 CD PRO A 14 1.469 -2.800 -3.512 1.00 77.95 C +HETATM 85 N HYP A 15 3.554 -5.182 -0.116 1.00 79.19 N +HETATM 86 CA HYP A 15 4.781 -5.206 0.572 1.00 77.95 C +HETATM 87 C HYP A 15 5.989 -5.021 -0.364 1.00 81.39 C +HETATM 88 O HYP A 15 5.894 -5.417 -1.543 1.00 73.41 O +HETATM 89 CB HYP A 15 4.783 -6.611 1.185 1.00 80.32 C +HETATM 90 CG HYP A 15 3.321 -6.926 1.353 1.00 77.47 C +HETATM 91 CD HYP A 15 2.756 -6.334 0.106 1.00 81.26 C +HETATM 92 OD1 HYP A 15 2.804 -6.290 2.481 1.00 81.46 O +ATOM 93 N GLY A 16 7.002 -4.400 0.102 1.00 85.53 N +ATOM 94 CA GLY A 16 8.179 -4.220 -0.694 1.00 84.18 C +ATOM 95 C GLY A 16 8.856 -5.557 -0.974 1.00 85.50 C +ATOM 96 O GLY A 16 8.513 -6.578 -0.375 1.00 85.37 O +ATOM 97 N PRO A 17 9.817 -5.551 -1.889 1.00 78.64 N +ATOM 98 CA PRO A 17 10.521 -6.784 -2.218 1.00 81.27 C +ATOM 99 C PRO A 17 11.426 -7.226 -1.078 1.00 81.02 C +ATOM 100 O PRO A 17 11.764 -6.445 -0.197 1.00 81.78 O +ATOM 101 CB PRO A 17 11.325 -6.418 -3.460 1.00 80.69 C +ATOM 102 CG PRO A 17 11.557 -4.953 -3.318 1.00 78.09 C +ATOM 103 CD PRO A 17 10.310 -4.412 -2.666 1.00 77.11 C +HETATM 104 N HYP A 18 11.813 -8.465 -1.074 1.00 81.55 N +HETATM 105 CA HYP A 18 12.789 -8.973 -0.148 1.00 85.89 C +HETATM 106 C HYP A 18 14.081 -8.195 -0.197 1.00 80.98 C +HETATM 107 O HYP A 18 14.489 -7.711 -1.259 1.00 84.84 O +HETATM 108 CB HYP A 18 12.940 -10.425 -0.590 1.00 81.68 C +HETATM 109 CG HYP A 18 11.618 -10.785 -1.259 1.00 80.84 C +HETATM 110 CD HYP A 18 11.261 -9.497 -1.926 1.00 82.82 C +HETATM 111 OD1 HYP A 18 10.628 -11.100 -0.314 1.00 84.54 O +ATOM 112 N GLY A 19 14.713 -8.015 0.956 1.00 85.82 N +ATOM 113 CA GLY A 19 15.966 -7.314 1.039 1.00 84.95 C +ATOM 114 C GLY A 19 17.054 -8.066 0.286 1.00 85.12 C +ATOM 115 O GLY A 19 16.864 -9.203 -0.143 1.00 84.39 O +ATOM 116 N PRO A 20 18.219 -7.434 0.148 1.00 80.22 N +ATOM 117 CA PRO A 20 19.318 -8.077 -0.564 1.00 81.16 C +ATOM 118 C PRO A 20 19.893 -9.234 0.234 1.00 80.21 C +ATOM 119 O PRO A 20 19.705 -9.328 1.446 1.00 78.84 O +ATOM 120 CB PRO A 20 20.330 -6.946 -0.733 1.00 78.60 C +ATOM 121 CG PRO A 20 20.063 -6.057 0.426 1.00 76.47 C +ATOM 122 CD PRO A 20 18.568 -6.101 0.633 1.00 76.80 C +HETATM 123 N HYP A 21 20.589 -10.118 -0.411 1.00 89.25 N +HETATM 124 CA HYP A 21 21.265 -11.217 0.225 1.00 87.46 C +HETATM 125 C HYP A 21 22.331 -10.724 1.222 1.00 85.59 C +HETATM 126 O HYP A 21 22.899 -9.659 1.022 1.00 87.44 O +HETATM 127 CB HYP A 21 21.956 -11.964 -0.932 1.00 85.68 C +HETATM 128 CG HYP A 21 21.122 -11.633 -2.152 1.00 83.32 C +HETATM 129 CD HYP A 21 20.697 -10.208 -1.863 1.00 86.72 C +HETATM 130 OD1 HYP A 21 19.963 -12.443 -2.224 1.00 84.81 O +ATOM 131 N GLY A 22 22.518 -11.430 2.279 1.00 83.82 N +ATOM 132 CA GLY A 22 23.540 -11.105 3.238 1.00 82.49 C +ATOM 133 C GLY A 22 24.921 -11.268 2.621 1.00 82.22 C +ATOM 134 O GLY A 22 25.068 -11.751 1.497 1.00 80.85 O +ATOM 135 N PRO A 23 25.963 -10.895 3.362 1.00 81.90 N +ATOM 136 CA PRO A 23 27.316 -11.020 2.834 1.00 83.76 C +ATOM 137 C PRO A 23 27.713 -12.482 2.706 1.00 82.84 C +ATOM 138 O PRO A 23 27.154 -13.357 3.362 1.00 79.36 O +ATOM 139 CB PRO A 23 28.169 -10.281 3.869 1.00 79.72 C +ATOM 140 CG PRO A 23 27.383 -10.388 5.120 1.00 76.77 C +ATOM 141 CD PRO A 23 25.937 -10.347 4.711 1.00 77.64 C +HETATM 142 N HYP A 24 28.691 -12.795 1.923 1.00 84.28 N +HETATM 143 CA HYP A 24 29.125 -14.174 1.779 1.00 82.63 C +HETATM 144 C HYP A 24 29.518 -14.741 3.061 1.00 81.55 C +HETATM 145 O HYP A 24 30.228 -14.049 3.807 1.00 80.09 O +HETATM 146 CB HYP A 24 30.297 -14.109 0.780 1.00 83.57 C +HETATM 147 CG HYP A 24 30.111 -12.826 0.032 1.00 81.20 C +HETATM 148 CD HYP A 24 29.425 -11.911 1.063 1.00 83.66 C +HETATM 149 OD1 HYP A 24 29.213 -13.039 -1.046 1.00 80.99 O +HETATM 150 OXT HYP A 24 29.114 -15.892 3.312 1.00 77.68 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_180.txt b/protein_pdb_180.txt new file mode 100644 index 0000000000000000000000000000000000000000..fc69821370daf1cc9514fee06c0a6f2dfb38649d --- /dev/null +++ b/protein_pdb_180.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 13.342 -8.943 0.170 1.00 90.01 N +ATOM 2 CA GLY A 1 13.033 -8.229 -1.040 1.00 90.64 C +ATOM 3 C GLY A 1 12.374 -6.893 -0.777 1.00 91.13 C +ATOM 4 O GLY A 1 12.049 -6.574 0.365 1.00 89.06 O +ATOM 5 N PRO A 2 12.119 -6.119 -1.820 1.00 90.61 N +ATOM 6 CA PRO A 2 11.509 -4.810 -1.664 1.00 91.19 C +ATOM 7 C PRO A 2 10.019 -4.905 -1.386 1.00 91.13 C +ATOM 8 O PRO A 2 9.401 -5.949 -1.586 1.00 88.64 O +ATOM 9 CB PRO A 2 11.778 -4.149 -3.010 1.00 88.84 C +ATOM 10 CG PRO A 2 11.801 -5.293 -3.966 1.00 85.11 C +ATOM 11 CD PRO A 2 12.438 -6.420 -3.217 1.00 86.84 C +HETATM 12 N HYP A 3 9.497 -3.804 -0.939 1.00 89.47 N +HETATM 13 CA HYP A 3 8.034 -3.739 -0.733 1.00 85.35 C +HETATM 14 C HYP A 3 7.282 -3.971 -2.039 1.00 90.25 C +HETATM 15 O HYP A 3 7.818 -3.653 -3.118 1.00 92.59 O +HETATM 16 CB HYP A 3 7.846 -2.260 -0.266 1.00 89.42 C +HETATM 17 CG HYP A 3 9.185 -1.876 0.387 1.00 86.35 C +HETATM 18 CD HYP A 3 10.207 -2.606 -0.530 1.00 89.87 C +HETATM 19 OD1 HYP A 3 9.236 -2.439 1.659 1.00 88.62 O +ATOM 20 N GLY A 4 6.143 -4.563 -1.917 1.00 91.80 N +ATOM 21 CA GLY A 4 5.318 -4.771 -3.078 1.00 91.05 C +ATOM 22 C GLY A 4 4.781 -3.459 -3.617 1.00 91.74 C +ATOM 23 O GLY A 4 4.916 -2.403 -2.993 1.00 91.76 O +ATOM 24 N PRO A 5 4.166 -3.518 -4.786 1.00 92.10 N +ATOM 25 CA PRO A 5 3.618 -2.313 -5.385 1.00 91.38 C +ATOM 26 C PRO A 5 2.400 -1.810 -4.631 1.00 91.01 C +ATOM 27 O PRO A 5 1.772 -2.550 -3.883 1.00 89.52 O +ATOM 28 CB PRO A 5 3.253 -2.764 -6.792 1.00 90.09 C +ATOM 29 CG PRO A 5 2.939 -4.217 -6.629 1.00 88.06 C +ATOM 30 CD PRO A 5 3.902 -4.705 -5.591 1.00 90.03 C +HETATM 31 N HYP A 6 2.117 -0.531 -4.839 1.00 90.29 N +HETATM 32 CA HYP A 6 0.882 0.003 -4.279 1.00 93.65 C +HETATM 33 C HYP A 6 -0.323 -0.750 -4.767 1.00 92.66 C +HETATM 34 O HYP A 6 -0.308 -1.307 -5.894 1.00 91.73 O +HETATM 35 CB HYP A 6 0.886 1.464 -4.848 1.00 87.73 C +HETATM 36 CG HYP A 6 2.350 1.781 -5.063 1.00 86.36 C +HETATM 37 CD HYP A 6 2.904 0.451 -5.552 1.00 89.75 C +HETATM 38 OD1 HYP A 6 2.941 2.109 -3.834 1.00 89.11 O +ATOM 39 N GLY A 7 -1.290 -0.850 -3.923 1.00 91.41 N +ATOM 40 CA GLY A 7 -2.523 -1.487 -4.300 1.00 89.86 C +ATOM 41 C GLY A 7 -3.233 -0.712 -5.386 1.00 90.12 C +ATOM 42 O GLY A 7 -2.870 0.418 -5.714 1.00 89.99 O +ATOM 43 N PRO A 8 -4.257 -1.320 -5.950 1.00 92.22 N +ATOM 44 CA PRO A 8 -5.004 -0.650 -7.004 1.00 91.76 C +ATOM 45 C PRO A 8 -5.818 0.508 -6.463 1.00 91.81 C +ATOM 46 O PRO A 8 -6.137 0.571 -5.280 1.00 90.51 O +ATOM 47 CB PRO A 8 -5.893 -1.754 -7.566 1.00 90.12 C +ATOM 48 CG PRO A 8 -6.071 -2.684 -6.423 1.00 89.30 C +ATOM 49 CD PRO A 8 -4.783 -2.640 -5.646 1.00 90.64 C +HETATM 50 N HYP A 9 -6.165 1.442 -7.370 1.00 88.87 N +HETATM 51 CA HYP A 9 -7.001 2.513 -6.994 1.00 88.09 C +HETATM 52 C HYP A 9 -8.366 2.040 -6.531 1.00 89.85 C +HETATM 53 O HYP A 9 -8.881 1.047 -7.068 1.00 90.38 O +HETATM 54 CB HYP A 9 -7.185 3.326 -8.320 1.00 82.86 C +HETATM 55 CG HYP A 9 -5.998 2.975 -9.158 1.00 82.30 C +HETATM 56 CD HYP A 9 -5.698 1.563 -8.798 1.00 88.97 C +HETATM 57 OD1 HYP A 9 -4.921 3.806 -8.743 1.00 82.79 O +ATOM 58 N GLY A 10 -8.904 2.625 -5.545 1.00 89.63 N +ATOM 59 CA GLY A 10 -10.268 2.346 -5.181 1.00 86.47 C +ATOM 60 C GLY A 10 -11.209 2.887 -6.238 1.00 86.73 C +ATOM 61 O GLY A 10 -10.789 3.488 -7.227 1.00 84.62 O +ATOM 62 N LYS A 11 -12.502 2.668 -6.014 1.00 87.84 N +ATOM 63 CA LYS A 11 -13.480 3.197 -6.956 1.00 89.51 C +ATOM 64 C LYS A 11 -13.427 4.717 -7.019 1.00 89.13 C +ATOM 65 O LYS A 11 -13.716 5.311 -8.060 1.00 87.31 O +ATOM 66 CB LYS A 11 -14.883 2.727 -6.569 1.00 86.85 C +ATOM 67 CG LYS A 11 -15.062 1.234 -6.749 1.00 83.46 C +ATOM 68 CD LYS A 11 -16.471 0.786 -6.423 1.00 77.62 C +ATOM 69 CE LYS A 11 -16.619 -0.715 -6.597 1.00 75.55 C +ATOM 70 NZ LYS A 11 -17.986 -1.173 -6.278 1.00 68.88 N +ATOM 71 N VAL A 12 -13.050 5.318 -5.902 1.00 90.98 N +ATOM 72 CA VAL A 12 -12.869 6.763 -5.807 1.00 91.66 C +ATOM 73 C VAL A 12 -11.526 7.099 -5.166 1.00 92.18 C +ATOM 74 O VAL A 12 -10.876 8.077 -5.530 1.00 87.32 O +ATOM 75 CB VAL A 12 -14.018 7.410 -4.998 1.00 88.35 C +ATOM 76 CG1 VAL A 12 -13.813 8.906 -4.864 1.00 79.92 C +ATOM 77 CG2 VAL A 12 -15.355 7.129 -5.653 1.00 80.23 C +ATOM 78 N GLY A 13 -11.118 6.294 -4.212 1.00 92.76 N +ATOM 79 CA GLY A 13 -9.957 6.582 -3.398 1.00 91.91 C +ATOM 80 C GLY A 13 -8.619 6.299 -4.041 1.00 92.34 C +ATOM 81 O GLY A 13 -8.526 5.851 -5.189 1.00 91.95 O +ATOM 82 N PRO A 14 -7.568 6.572 -3.285 1.00 94.13 N +ATOM 83 CA PRO A 14 -6.197 6.436 -3.757 1.00 93.77 C +ATOM 84 C PRO A 14 -5.738 4.988 -3.803 1.00 93.81 C +ATOM 85 O PRO A 14 -6.419 4.086 -3.322 1.00 92.50 O +ATOM 86 CB PRO A 14 -5.399 7.225 -2.729 1.00 92.62 C +ATOM 87 CG PRO A 14 -6.164 7.025 -1.472 1.00 91.66 C +ATOM 88 CD PRO A 14 -7.610 7.032 -1.891 1.00 92.49 C +HETATM 89 N HYP A 15 -4.559 4.839 -4.369 1.00 91.97 N +HETATM 90 CA HYP A 15 -3.930 3.529 -4.342 1.00 92.46 C +HETATM 91 C HYP A 15 -3.747 3.020 -2.951 1.00 93.18 C +HETATM 92 O HYP A 15 -3.572 3.825 -2.018 1.00 92.51 O +HETATM 93 CB HYP A 15 -2.556 3.817 -5.016 1.00 90.56 C +HETATM 94 CG HYP A 15 -2.801 5.035 -5.904 1.00 89.46 C +HETATM 95 CD HYP A 15 -3.766 5.863 -5.081 1.00 91.59 C +HETATM 96 OD1 HYP A 15 -3.400 4.641 -7.109 1.00 90.50 O +ATOM 97 N GLY A 16 -3.791 1.738 -2.803 1.00 95.53 N +ATOM 98 CA GLY A 16 -3.508 1.143 -1.534 1.00 94.95 C +ATOM 99 C GLY A 16 -2.044 1.277 -1.179 1.00 95.24 C +ATOM 100 O GLY A 16 -1.227 1.720 -1.988 1.00 95.03 O +ATOM 101 N PRO A 17 -1.702 0.885 0.043 1.00 94.81 N +ATOM 102 CA PRO A 17 -0.318 0.967 0.482 1.00 94.05 C +ATOM 103 C PRO A 17 0.548 -0.067 -0.213 1.00 94.33 C +ATOM 104 O PRO A 17 0.051 -1.036 -0.778 1.00 93.38 O +ATOM 105 CB PRO A 17 -0.418 0.706 1.986 1.00 93.32 C +ATOM 106 CG PRO A 17 -1.612 -0.164 2.112 1.00 91.94 C +ATOM 107 CD PRO A 17 -2.577 0.331 1.069 1.00 93.04 C +HETATM 108 N HYP A 18 1.838 0.171 -0.168 1.00 89.49 N +HETATM 109 CA HYP A 18 2.763 -0.811 -0.660 1.00 90.46 C +HETATM 110 C HYP A 18 2.597 -2.141 0.022 1.00 92.37 C +HETATM 111 O HYP A 18 2.214 -2.195 1.201 1.00 92.89 O +HETATM 112 CB HYP A 18 4.128 -0.180 -0.335 1.00 89.61 C +HETATM 113 CG HYP A 18 3.863 1.319 -0.318 1.00 88.33 C +HETATM 114 CD HYP A 18 2.478 1.387 0.301 1.00 91.60 C +HETATM 115 OD1 HYP A 18 3.824 1.803 -1.648 1.00 90.16 O +ATOM 116 N GLY A 19 2.838 -3.178 -0.697 1.00 91.94 N +ATOM 117 CA GLY A 19 2.808 -4.493 -0.125 1.00 91.47 C +ATOM 118 C GLY A 19 3.943 -4.694 0.862 1.00 91.94 C +ATOM 119 O GLY A 19 4.835 -3.854 0.984 1.00 92.51 O +ATOM 120 N PRO A 20 3.911 -5.814 1.559 1.00 87.50 N +ATOM 121 CA PRO A 20 4.961 -6.104 2.520 1.00 86.77 C +ATOM 122 C PRO A 20 6.277 -6.421 1.835 1.00 87.14 C +ATOM 123 O PRO A 20 6.307 -6.752 0.653 1.00 87.22 O +ATOM 124 CB PRO A 20 4.415 -7.315 3.273 1.00 85.10 C +ATOM 125 CG PRO A 20 3.534 -7.981 2.277 1.00 82.87 C +ATOM 126 CD PRO A 20 2.918 -6.873 1.476 1.00 84.47 C +HETATM 127 N HYP A 21 7.336 -6.283 2.587 1.00 88.96 N +HETATM 128 CA HYP A 21 8.639 -6.677 2.075 1.00 87.19 C +HETATM 129 C HYP A 21 8.689 -8.123 1.638 1.00 89.15 C +HETATM 130 O HYP A 21 8.019 -8.957 2.253 1.00 92.60 O +HETATM 131 CB HYP A 21 9.593 -6.405 3.216 1.00 88.42 C +HETATM 132 CG HYP A 21 8.915 -5.353 4.077 1.00 82.97 C +HETATM 133 CD HYP A 21 7.450 -5.702 3.953 1.00 90.32 C +HETATM 134 OD1 HYP A 21 9.111 -4.074 3.466 1.00 87.43 O +ATOM 135 N GLY A 22 9.345 -8.375 0.551 1.00 90.74 N +ATOM 136 CA GLY A 22 9.536 -9.724 0.105 1.00 88.55 C +ATOM 137 C GLY A 22 10.505 -10.454 1.022 1.00 88.84 C +ATOM 138 O GLY A 22 11.065 -9.879 1.952 1.00 88.68 O +ATOM 139 N PRO A 23 10.729 -11.738 0.769 1.00 92.50 N +ATOM 140 CA PRO A 23 11.675 -12.501 1.574 1.00 92.15 C +ATOM 141 C PRO A 23 13.065 -11.905 1.461 1.00 91.20 C +ATOM 142 O PRO A 23 13.534 -11.645 0.356 1.00 88.59 O +ATOM 143 CB PRO A 23 11.630 -13.897 0.959 1.00 90.04 C +ATOM 144 CG PRO A 23 10.337 -13.938 0.219 1.00 87.16 C +ATOM 145 CD PRO A 23 10.114 -12.544 -0.265 1.00 90.15 C +HETATM 146 N HYP A 24 13.723 -11.652 2.483 1.00 92.27 N +HETATM 147 CA HYP A 24 14.995 -10.862 2.390 1.00 87.73 C +HETATM 148 C HYP A 24 15.003 -9.829 1.394 1.00 91.85 C +HETATM 149 O HYP A 24 15.352 -8.637 1.669 1.00 89.90 O +HETATM 150 CB HYP A 24 15.562 -10.915 3.686 1.00 88.80 C +HETATM 151 CG HYP A 24 15.014 -12.226 4.301 1.00 86.91 C +HETATM 152 CD HYP A 24 13.671 -12.475 3.602 1.00 90.87 C +HETATM 153 OD1 HYP A 24 14.806 -12.086 5.670 1.00 87.10 O +HETATM 154 OXT HYP A 24 15.098 -10.223 0.210 1.00 87.20 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_181.txt b/protein_pdb_181.txt new file mode 100644 index 0000000000000000000000000000000000000000..34fbb1cf5eb477e86e544d492886cfff68d8a14d --- /dev/null +++ b/protein_pdb_181.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 8.189 -7.587 -9.793 1.00 83.24 N +ATOM 2 CA GLY A 1 7.692 -6.313 -10.285 1.00 86.41 C +ATOM 3 C GLY A 1 7.852 -5.229 -9.250 1.00 87.70 C +ATOM 4 O GLY A 1 8.361 -5.480 -8.158 1.00 84.40 O +ATOM 5 N PRO A 2 7.406 -4.032 -9.566 1.00 88.24 N +ATOM 6 CA PRO A 2 7.547 -2.915 -8.639 1.00 89.85 C +ATOM 7 C PRO A 2 6.652 -3.066 -7.426 1.00 90.13 C +ATOM 8 O PRO A 2 5.689 -3.836 -7.436 1.00 87.98 O +ATOM 9 CB PRO A 2 7.144 -1.704 -9.477 1.00 86.46 C +ATOM 10 CG PRO A 2 6.235 -2.259 -10.509 1.00 83.13 C +ATOM 11 CD PRO A 2 6.742 -3.632 -10.812 1.00 84.95 C +HETATM 12 N HYP A 3 7.007 -2.363 -6.438 1.00 87.95 N +HETATM 13 CA HYP A 3 6.155 -2.302 -5.228 1.00 86.18 C +HETATM 14 C HYP A 3 4.780 -1.816 -5.566 1.00 89.88 C +HETATM 15 O HYP A 3 4.614 -1.009 -6.507 1.00 91.79 O +HETATM 16 CB HYP A 3 6.910 -1.286 -4.350 1.00 87.58 C +HETATM 17 CG HYP A 3 8.339 -1.373 -4.812 1.00 85.03 C +HETATM 18 CD HYP A 3 8.189 -1.566 -6.331 1.00 86.66 C +HETATM 19 OD1 HYP A 3 8.929 -2.523 -4.270 1.00 87.58 O +ATOM 20 N GLY A 4 3.814 -2.332 -4.843 1.00 90.01 N +ATOM 21 CA GLY A 4 2.459 -1.887 -5.022 1.00 89.97 C +ATOM 22 C GLY A 4 2.278 -0.447 -4.588 1.00 91.00 C +ATOM 23 O GLY A 4 3.165 0.156 -3.984 1.00 91.08 O +ATOM 24 N PRO A 5 1.123 0.112 -4.897 1.00 90.74 N +ATOM 25 CA PRO A 5 0.847 1.489 -4.521 1.00 91.39 C +ATOM 26 C PRO A 5 0.618 1.621 -3.022 1.00 91.30 C +ATOM 27 O PRO A 5 0.366 0.643 -2.332 1.00 89.55 O +ATOM 28 CB PRO A 5 -0.419 1.815 -5.304 1.00 89.05 C +ATOM 29 CG PRO A 5 -1.101 0.505 -5.454 1.00 86.85 C +ATOM 30 CD PRO A 5 -0.006 -0.509 -5.596 1.00 89.29 C +HETATM 31 N HYP A 6 0.725 2.854 -2.562 1.00 90.56 N +HETATM 32 CA HYP A 6 0.423 3.120 -1.177 1.00 92.75 C +HETATM 33 C HYP A 6 -0.988 2.742 -0.837 1.00 89.65 C +HETATM 34 O HYP A 6 -1.897 2.835 -1.705 1.00 90.92 O +HETATM 35 CB HYP A 6 0.600 4.667 -1.119 1.00 87.36 C +HETATM 36 CG HYP A 6 1.587 4.974 -2.198 1.00 87.53 C +HETATM 37 CD HYP A 6 1.153 4.019 -3.293 1.00 90.41 C +HETATM 38 OD1 HYP A 6 2.881 4.629 -1.767 1.00 88.18 O +ATOM 39 N GLY A 7 -1.159 2.266 0.371 1.00 90.63 N +ATOM 40 CA GLY A 7 -2.479 1.930 0.837 1.00 89.45 C +ATOM 41 C GLY A 7 -3.360 3.158 0.952 1.00 90.24 C +ATOM 42 O GLY A 7 -2.911 4.293 0.792 1.00 89.68 O +ATOM 43 N PRO A 8 -4.628 2.926 1.227 1.00 93.00 N +ATOM 44 CA PRO A 8 -5.563 4.037 1.339 1.00 92.85 C +ATOM 45 C PRO A 8 -5.346 4.819 2.624 1.00 92.92 C +ATOM 46 O PRO A 8 -4.784 4.319 3.590 1.00 90.65 O +ATOM 47 CB PRO A 8 -6.925 3.345 1.340 1.00 90.56 C +ATOM 48 CG PRO A 8 -6.652 2.020 1.939 1.00 89.76 C +ATOM 49 CD PRO A 8 -5.272 1.631 1.463 1.00 91.76 C +HETATM 50 N HYP A 9 -5.830 6.043 2.607 1.00 86.79 N +HETATM 51 CA HYP A 9 -5.812 6.845 3.779 1.00 88.15 C +HETATM 52 C HYP A 9 -6.748 6.265 4.817 1.00 88.08 C +HETATM 53 O HYP A 9 -7.755 5.627 4.467 1.00 89.62 O +HETATM 54 CB HYP A 9 -6.423 8.190 3.297 1.00 85.13 C +HETATM 55 CG HYP A 9 -6.213 8.206 1.825 1.00 84.52 C +HETATM 56 CD HYP A 9 -6.336 6.776 1.427 1.00 87.43 C +HETATM 57 OD1 HYP A 9 -4.894 8.624 1.555 1.00 84.08 O +ATOM 58 N GLY A 10 -6.445 6.394 6.062 1.00 90.30 N +ATOM 59 CA GLY A 10 -7.387 6.038 7.100 1.00 87.72 C +ATOM 60 C GLY A 10 -8.507 7.060 7.164 1.00 88.37 C +ATOM 61 O GLY A 10 -8.641 7.925 6.296 1.00 86.91 O +ATOM 62 N ASP A 11 -9.316 6.959 8.203 1.00 89.02 N +ATOM 63 CA ASP A 11 -10.349 7.980 8.385 1.00 91.42 C +ATOM 64 C ASP A 11 -9.718 9.359 8.389 1.00 91.91 C +ATOM 65 O ASP A 11 -10.285 10.314 7.861 1.00 89.47 O +ATOM 66 CB ASP A 11 -11.109 7.735 9.688 1.00 88.87 C +ATOM 67 CG ASP A 11 -12.006 6.520 9.607 1.00 83.41 C +ATOM 68 OD1 ASP A 11 -12.399 6.129 8.495 1.00 81.19 O +ATOM 69 OD2 ASP A 11 -12.331 5.973 10.680 1.00 79.88 O +ATOM 70 N GLN A 12 -8.548 9.435 8.985 1.00 88.98 N +ATOM 71 CA GLN A 12 -7.634 10.534 8.757 1.00 90.43 C +ATOM 72 C GLN A 12 -6.246 10.010 9.057 1.00 90.39 C +ATOM 73 O GLN A 12 -6.080 9.068 9.828 1.00 84.93 O +ATOM 74 CB GLN A 12 -7.979 11.769 9.600 1.00 85.81 C +ATOM 75 CG GLN A 12 -7.966 11.548 11.085 1.00 81.31 C +ATOM 76 CD GLN A 12 -8.408 12.797 11.820 1.00 74.69 C +ATOM 77 OE1 GLN A 12 -9.366 13.463 11.418 1.00 69.50 O +ATOM 78 NE2 GLN A 12 -7.714 13.139 12.879 1.00 69.05 N +ATOM 79 N GLY A 13 -5.254 10.575 8.389 1.00 93.57 N +ATOM 80 CA GLY A 13 -3.899 10.103 8.558 1.00 92.68 C +ATOM 81 C GLY A 13 -3.299 9.710 7.230 1.00 93.33 C +ATOM 82 O GLY A 13 -3.952 9.775 6.185 1.00 92.79 O +ATOM 83 N PRO A 14 -2.049 9.317 7.261 1.00 93.30 N +ATOM 84 CA PRO A 14 -1.322 9.040 6.028 1.00 93.16 C +ATOM 85 C PRO A 14 -1.777 7.764 5.354 1.00 93.21 C +ATOM 86 O PRO A 14 -2.406 6.902 5.959 1.00 91.86 O +ATOM 87 CB PRO A 14 0.129 8.921 6.498 1.00 91.50 C +ATOM 88 CG PRO A 14 0.019 8.450 7.895 1.00 90.83 C +ATOM 89 CD PRO A 14 -1.202 9.113 8.448 1.00 91.95 C +HETATM 90 N HYP A 15 -1.411 7.711 4.120 1.00 92.27 N +HETATM 91 CA HYP A 15 -1.616 6.465 3.357 1.00 91.37 C +HETATM 92 C HYP A 15 -0.843 5.342 3.946 1.00 92.58 C +HETATM 93 O HYP A 15 0.186 5.580 4.634 1.00 92.62 O +HETATM 94 CB HYP A 15 -1.019 6.898 1.979 1.00 88.99 C +HETATM 95 CG HYP A 15 -1.139 8.402 1.946 1.00 86.19 C +HETATM 96 CD HYP A 15 -0.865 8.814 3.367 1.00 90.25 C +HETATM 97 OD1 HYP A 15 -2.435 8.759 1.575 1.00 88.04 O +ATOM 98 N GLY A 16 -1.318 4.150 3.743 1.00 94.04 N +ATOM 99 CA GLY A 16 -0.591 2.991 4.179 1.00 94.07 C +ATOM 100 C GLY A 16 0.695 2.805 3.397 1.00 94.71 C +ATOM 101 O GLY A 16 0.969 3.528 2.434 1.00 94.19 O +ATOM 102 N PRO A 17 1.488 1.838 3.823 1.00 93.53 N +ATOM 103 CA PRO A 17 2.748 1.585 3.140 1.00 93.75 C +ATOM 104 C PRO A 17 2.529 0.973 1.764 1.00 94.22 C +ATOM 105 O PRO A 17 1.471 0.434 1.476 1.00 92.93 O +ATOM 106 CB PRO A 17 3.467 0.616 4.074 1.00 92.09 C +ATOM 107 CG PRO A 17 2.366 -0.085 4.779 1.00 90.95 C +ATOM 108 CD PRO A 17 1.262 0.915 4.928 1.00 92.45 C +HETATM 109 N HYP A 18 3.549 1.061 0.927 1.00 89.97 N +HETATM 110 CA HYP A 18 3.513 0.415 -0.339 1.00 90.75 C +HETATM 111 C HYP A 18 3.303 -1.056 -0.222 1.00 90.46 C +HETATM 112 O HYP A 18 3.726 -1.675 0.783 1.00 90.87 O +HETATM 113 CB HYP A 18 4.920 0.705 -0.903 1.00 87.85 C +HETATM 114 CG HYP A 18 5.345 1.986 -0.222 1.00 86.88 C +HETATM 115 CD HYP A 18 4.761 1.816 1.166 1.00 90.96 C +HETATM 116 OD1 HYP A 18 4.720 3.089 -0.856 1.00 89.62 O +ATOM 117 N GLY A 19 2.631 -1.613 -1.171 1.00 90.13 N +ATOM 118 CA GLY A 19 2.458 -3.035 -1.224 1.00 90.08 C +ATOM 119 C GLY A 19 3.773 -3.739 -1.495 1.00 90.40 C +ATOM 120 O GLY A 19 4.785 -3.119 -1.800 1.00 90.38 O +ATOM 121 N PRO A 20 3.752 -5.054 -1.380 1.00 88.93 N +ATOM 122 CA PRO A 20 4.957 -5.825 -1.632 1.00 89.06 C +ATOM 123 C PRO A 20 5.316 -5.835 -3.109 1.00 89.21 C +ATOM 124 O PRO A 20 4.494 -5.527 -3.961 1.00 89.24 O +ATOM 125 CB PRO A 20 4.577 -7.225 -1.142 1.00 86.27 C +ATOM 126 CG PRO A 20 3.110 -7.277 -1.316 1.00 82.55 C +ATOM 127 CD PRO A 20 2.607 -5.891 -1.048 1.00 85.02 C +HETATM 128 N HYP A 21 6.562 -6.189 -3.371 1.00 86.25 N +HETATM 129 CA HYP A 21 6.980 -6.329 -4.732 1.00 85.56 C +HETATM 130 C HYP A 21 6.148 -7.317 -5.511 1.00 86.47 C +HETATM 131 O HYP A 21 5.679 -8.307 -4.930 1.00 91.01 O +HETATM 132 CB HYP A 21 8.424 -6.826 -4.619 1.00 86.01 C +HETATM 133 CG HYP A 21 8.890 -6.317 -3.273 1.00 81.66 C +HETATM 134 CD HYP A 21 7.657 -6.429 -2.419 1.00 86.29 C +HETATM 135 OD1 HYP A 21 9.212 -4.915 -3.375 1.00 86.08 O +ATOM 136 N GLY A 22 5.855 -6.997 -6.738 1.00 86.60 N +ATOM 137 CA GLY A 22 5.134 -7.900 -7.589 1.00 84.39 C +ATOM 138 C GLY A 22 5.966 -9.124 -7.929 1.00 84.12 C +ATOM 139 O GLY A 22 7.115 -9.253 -7.508 1.00 83.91 O +ATOM 140 N PRO A 23 5.398 -10.028 -8.705 1.00 89.81 N +ATOM 141 CA PRO A 23 6.128 -11.232 -9.083 1.00 90.49 C +ATOM 142 C PRO A 23 7.314 -10.892 -9.962 1.00 89.42 C +ATOM 143 O PRO A 23 7.349 -9.853 -10.615 1.00 85.45 O +ATOM 144 CB PRO A 23 5.088 -12.065 -9.824 1.00 86.66 C +ATOM 145 CG PRO A 23 4.121 -11.068 -10.333 1.00 83.98 C +ATOM 146 CD PRO A 23 4.082 -9.967 -9.312 1.00 86.75 C +HETATM 147 N HYP A 24 8.245 -11.690 -10.034 1.00 88.56 N +HETATM 148 CA HYP A 24 9.451 -11.376 -10.782 1.00 80.53 C +HETATM 149 C HYP A 24 9.333 -10.401 -11.864 1.00 84.69 C +HETATM 150 O HYP A 24 10.165 -10.311 -12.756 1.00 77.45 O +HETATM 151 CB HYP A 24 10.091 -12.691 -11.047 1.00 81.17 C +HETATM 152 CG HYP A 24 9.518 -13.638 -10.034 1.00 81.63 C +HETATM 153 CD HYP A 24 8.152 -13.084 -9.713 1.00 86.41 C +HETATM 154 OD1 HYP A 24 10.287 -13.584 -8.833 1.00 81.89 O +HETATM 155 OXT HYP A 24 8.360 -9.670 -11.870 1.00 79.49 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_182.txt b/protein_pdb_182.txt new file mode 100644 index 0000000000000000000000000000000000000000..ba29952490da8448562d099be233120e9e44dde2 --- /dev/null +++ b/protein_pdb_182.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -4.877 15.152 3.663 1.00 89.84 N +ATOM 2 CA GLY A 1 -5.466 14.217 2.764 1.00 90.83 C +ATOM 3 C GLY A 1 -5.772 12.877 3.399 1.00 91.63 C +ATOM 4 O GLY A 1 -5.262 12.568 4.478 1.00 89.58 O +ATOM 5 N PRO A 2 -6.549 12.095 2.760 1.00 90.04 N +ATOM 6 CA PRO A 2 -6.926 10.796 3.285 1.00 90.88 C +ATOM 7 C PRO A 2 -5.824 9.766 3.127 1.00 90.43 C +ATOM 8 O PRO A 2 -4.898 9.947 2.342 1.00 88.55 O +ATOM 9 CB PRO A 2 -8.150 10.435 2.445 1.00 87.61 C +ATOM 10 CG PRO A 2 -7.872 11.094 1.144 1.00 84.31 C +ATOM 11 CD PRO A 2 -7.213 12.400 1.492 1.00 86.76 C +HETATM 12 N HYP A 3 -5.954 8.685 3.889 1.00 90.37 N +HETATM 13 CA HYP A 3 -4.993 7.607 3.770 1.00 88.36 C +HETATM 14 C HYP A 3 -5.072 6.951 2.378 1.00 89.48 C +HETATM 15 O HYP A 3 -6.163 6.977 1.757 1.00 91.88 O +HETATM 16 CB HYP A 3 -5.544 6.561 4.822 1.00 88.93 C +HETATM 17 CG HYP A 3 -6.264 7.418 5.839 1.00 84.96 C +HETATM 18 CD HYP A 3 -6.888 8.524 4.944 1.00 88.61 C +HETATM 19 OD1 HYP A 3 -5.321 7.993 6.689 1.00 86.00 O +ATOM 20 N GLY A 4 -3.962 6.487 1.913 1.00 92.00 N +ATOM 21 CA GLY A 4 -3.919 5.824 0.641 1.00 91.35 C +ATOM 22 C GLY A 4 -4.613 4.477 0.699 1.00 92.01 C +ATOM 23 O GLY A 4 -4.967 3.983 1.769 1.00 91.70 O +ATOM 24 N PRO A 5 -4.810 3.857 -0.461 1.00 90.94 N +ATOM 25 CA PRO A 5 -5.467 2.560 -0.509 1.00 91.06 C +ATOM 26 C PRO A 5 -4.558 1.455 -0.008 1.00 90.34 C +ATOM 27 O PRO A 5 -3.343 1.617 0.069 1.00 89.11 O +ATOM 28 CB PRO A 5 -5.785 2.393 -1.996 1.00 89.20 C +ATOM 29 CG PRO A 5 -4.691 3.145 -2.673 1.00 87.12 C +ATOM 30 CD PRO A 5 -4.432 4.336 -1.791 1.00 89.51 C +HETATM 31 N HYP A 6 -5.192 0.328 0.337 1.00 91.38 N +HETATM 32 CA HYP A 6 -4.414 -0.849 0.713 1.00 92.58 C +HETATM 33 C HYP A 6 -3.508 -1.286 -0.415 1.00 91.67 C +HETATM 34 O HYP A 6 -3.821 -1.058 -1.615 1.00 90.87 O +HETATM 35 CB HYP A 6 -5.525 -1.920 0.929 1.00 87.69 C +HETATM 36 CG HYP A 6 -6.744 -1.138 1.305 1.00 87.07 C +HETATM 37 CD HYP A 6 -6.614 0.106 0.427 1.00 90.44 C +HETATM 38 OD1 HYP A 6 -6.681 -0.773 2.657 1.00 85.38 O +ATOM 39 N GLY A 7 -2.388 -1.842 -0.067 1.00 91.02 N +ATOM 40 CA GLY A 7 -1.460 -2.342 -1.046 1.00 90.45 C +ATOM 41 C GLY A 7 -2.044 -3.524 -1.803 1.00 91.00 C +ATOM 42 O GLY A 7 -3.071 -4.086 -1.421 1.00 90.25 O +ATOM 43 N PRO A 8 -1.388 -3.907 -2.879 1.00 90.54 N +ATOM 44 CA PRO A 8 -1.885 -5.014 -3.682 1.00 90.35 C +ATOM 45 C PRO A 8 -1.693 -6.356 -2.996 1.00 90.12 C +ATOM 46 O PRO A 8 -0.802 -6.535 -2.176 1.00 88.05 O +ATOM 47 CB PRO A 8 -1.075 -4.919 -4.972 1.00 88.09 C +ATOM 48 CG PRO A 8 0.169 -4.233 -4.575 1.00 87.08 C +ATOM 49 CD PRO A 8 -0.196 -3.295 -3.464 1.00 89.36 C +HETATM 50 N HYP A 9 -2.559 -7.307 -3.395 1.00 87.97 N +HETATM 51 CA HYP A 9 -2.485 -8.640 -2.895 1.00 87.57 C +HETATM 52 C HYP A 9 -1.199 -9.326 -3.383 1.00 89.88 C +HETATM 53 O HYP A 9 -0.666 -8.975 -4.432 1.00 88.89 O +HETATM 54 CB HYP A 9 -3.639 -9.405 -3.581 1.00 84.71 C +HETATM 55 CG HYP A 9 -4.577 -8.362 -4.022 1.00 84.12 C +HETATM 56 CD HYP A 9 -3.714 -7.161 -4.290 1.00 88.57 C +HETATM 57 OD1 HYP A 9 -5.439 -8.047 -2.942 1.00 83.37 O +ATOM 58 N GLY A 10 -0.686 -10.255 -2.773 1.00 88.98 N +ATOM 59 CA GLY A 10 0.447 -11.012 -3.240 1.00 86.01 C +ATOM 60 C GLY A 10 0.366 -12.447 -2.751 1.00 85.74 C +ATOM 61 O GLY A 10 -0.358 -12.764 -1.809 1.00 84.85 O +ATOM 62 N ALA A 11 1.119 -13.311 -3.389 1.00 85.73 N +ATOM 63 CA ALA A 11 1.133 -14.713 -2.999 1.00 87.51 C +ATOM 64 C ALA A 11 1.673 -14.893 -1.590 1.00 88.47 C +ATOM 65 O ALA A 11 1.363 -15.877 -0.920 1.00 85.61 O +ATOM 66 CB ALA A 11 1.964 -15.521 -3.985 1.00 84.97 C +ATOM 67 N GLU A 12 2.491 -13.940 -1.149 1.00 85.30 N +ATOM 68 CA GLU A 12 3.120 -14.040 0.161 1.00 86.72 C +ATOM 69 C GLU A 12 2.341 -13.365 1.282 1.00 86.69 C +ATOM 70 O GLU A 12 2.764 -13.420 2.440 1.00 81.83 O +ATOM 71 CB GLU A 12 4.534 -13.470 0.101 1.00 81.89 C +ATOM 72 CG GLU A 12 5.430 -14.225 -0.862 1.00 74.71 C +ATOM 73 CD GLU A 12 6.869 -13.751 -0.831 1.00 69.91 C +ATOM 74 OE1 GLU A 12 7.082 -12.528 -0.748 1.00 65.35 O +ATOM 75 OE2 GLU A 12 7.766 -14.602 -0.890 1.00 67.86 O +ATOM 76 N GLY A 13 1.243 -12.731 0.977 1.00 91.37 N +ATOM 77 CA GLY A 13 0.501 -12.080 2.035 1.00 90.07 C +ATOM 78 C GLY A 13 -0.695 -11.291 1.557 1.00 91.01 C +ATOM 79 O GLY A 13 -0.938 -11.167 0.359 1.00 90.62 O +ATOM 80 N PRO A 14 -1.452 -10.772 2.503 1.00 90.91 N +ATOM 81 CA PRO A 14 -2.647 -10.001 2.192 1.00 91.28 C +ATOM 82 C PRO A 14 -2.296 -8.610 1.688 1.00 91.41 C +ATOM 83 O PRO A 14 -1.128 -8.238 1.618 1.00 89.62 O +ATOM 84 CB PRO A 14 -3.374 -9.942 3.532 1.00 89.67 C +ATOM 85 CG PRO A 14 -2.269 -9.924 4.529 1.00 88.92 C +ATOM 86 CD PRO A 14 -1.222 -10.845 3.955 1.00 90.00 C +HETATM 87 N HYP A 15 -3.357 -7.862 1.371 1.00 90.66 N +HETATM 88 CA HYP A 15 -3.141 -6.507 0.948 1.00 90.38 C +HETATM 89 C HYP A 15 -2.349 -5.737 1.974 1.00 90.98 C +HETATM 90 O HYP A 15 -2.477 -6.030 3.206 1.00 91.54 O +HETATM 91 CB HYP A 15 -4.560 -5.928 0.858 1.00 88.15 C +HETATM 92 CG HYP A 15 -5.434 -7.125 0.602 1.00 86.38 C +HETATM 93 CD HYP A 15 -4.772 -8.208 1.425 1.00 89.73 C +HETATM 94 OD1 HYP A 15 -5.387 -7.450 -0.741 1.00 86.86 O +ATOM 95 N GLY A 16 -1.543 -4.844 1.523 1.00 91.91 N +ATOM 96 CA GLY A 16 -0.777 -4.025 2.421 1.00 91.55 C +ATOM 97 C GLY A 16 -1.667 -3.053 3.164 1.00 92.33 C +ATOM 98 O GLY A 16 -2.852 -2.909 2.852 1.00 91.73 O +ATOM 99 N PRO A 17 -1.103 -2.382 4.147 1.00 89.10 N +ATOM 100 CA PRO A 17 -1.870 -1.410 4.908 1.00 89.48 C +ATOM 101 C PRO A 17 -2.162 -0.168 4.084 1.00 89.92 C +ATOM 102 O PRO A 17 -1.535 0.068 3.058 1.00 88.59 O +ATOM 103 CB PRO A 17 -0.964 -1.094 6.095 1.00 87.78 C +ATOM 104 CG PRO A 17 0.402 -1.325 5.566 1.00 85.67 C +ATOM 105 CD PRO A 17 0.283 -2.479 4.615 1.00 86.57 C +HETATM 106 N HYP A 18 -3.136 0.602 4.546 1.00 88.99 N +HETATM 107 CA HYP A 18 -3.409 1.843 3.912 1.00 88.58 C +HETATM 108 C HYP A 18 -2.210 2.746 3.872 1.00 90.65 C +HETATM 109 O HYP A 18 -1.361 2.704 4.813 1.00 88.94 O +HETATM 110 CB HYP A 18 -4.506 2.448 4.816 1.00 86.65 C +HETATM 111 CG HYP A 18 -5.198 1.241 5.428 1.00 85.31 C +HETATM 112 CD HYP A 18 -4.035 0.290 5.637 1.00 88.73 C +HETATM 113 OD1 HYP A 18 -6.104 0.687 4.496 1.00 84.79 O +ATOM 114 N GLY A 19 -2.082 3.500 2.847 1.00 86.10 N +ATOM 115 CA GLY A 19 -0.993 4.427 2.721 1.00 86.09 C +ATOM 116 C GLY A 19 -1.106 5.543 3.743 1.00 87.31 C +ATOM 117 O GLY A 19 -2.120 5.670 4.432 1.00 87.81 O +ATOM 118 N PRO A 20 -0.070 6.343 3.843 1.00 83.51 N +ATOM 119 CA PRO A 20 -0.072 7.432 4.809 1.00 85.05 C +ATOM 120 C PRO A 20 -1.023 8.543 4.406 1.00 84.91 C +ATOM 121 O PRO A 20 -1.374 8.693 3.243 1.00 85.35 O +ATOM 122 CB PRO A 20 1.375 7.908 4.799 1.00 82.84 C +ATOM 123 CG PRO A 20 1.837 7.594 3.420 1.00 80.15 C +ATOM 124 CD PRO A 20 1.168 6.292 3.072 1.00 82.66 C +HETATM 125 N HYP A 21 -1.432 9.303 5.385 1.00 90.66 N +HETATM 126 CA HYP A 21 -2.241 10.450 5.122 1.00 87.78 C +HETATM 127 C HYP A 21 -1.558 11.470 4.247 1.00 91.66 C +HETATM 128 O HYP A 21 -0.322 11.610 4.330 1.00 91.08 O +HETATM 129 CB HYP A 21 -2.467 11.077 6.523 1.00 87.76 C +HETATM 130 CG HYP A 21 -2.251 9.951 7.513 1.00 83.24 C +HETATM 131 CD HYP A 21 -1.179 9.113 6.836 1.00 89.34 C +HETATM 132 OD1 HYP A 21 -3.446 9.172 7.595 1.00 83.12 O +ATOM 133 N GLY A 22 -2.263 12.066 3.386 1.00 85.61 N +ATOM 134 CA GLY A 22 -1.715 13.136 2.606 1.00 84.06 C +ATOM 135 C GLY A 22 -1.580 14.376 3.480 1.00 84.44 C +ATOM 136 O GLY A 22 -2.028 14.395 4.625 1.00 84.08 O +ATOM 137 N PRO A 23 -0.972 15.427 2.954 1.00 89.51 N +ATOM 138 CA PRO A 23 -0.852 16.656 3.729 1.00 90.06 C +ATOM 139 C PRO A 23 -2.210 17.334 3.809 1.00 88.43 C +ATOM 140 O PRO A 23 -2.777 17.713 2.787 1.00 84.08 O +ATOM 141 CB PRO A 23 0.160 17.481 2.936 1.00 86.20 C +ATOM 142 CG PRO A 23 0.024 16.983 1.545 1.00 82.85 C +ATOM 143 CD PRO A 23 -0.330 15.521 1.656 1.00 85.83 C +HETATM 144 N HYP A 24 -2.811 17.367 4.911 1.00 93.37 N +HETATM 145 CA HYP A 24 -4.296 17.560 4.981 1.00 88.02 C +HETATM 146 C HYP A 24 -5.219 16.747 4.486 1.00 93.29 C +HETATM 147 O HYP A 24 -6.044 17.140 3.556 1.00 89.75 O +HETATM 148 CB HYP A 24 -4.503 18.311 6.318 1.00 88.06 C +HETATM 149 CG HYP A 24 -3.147 18.984 6.591 1.00 86.36 C +HETATM 150 CD HYP A 24 -2.097 18.069 5.886 1.00 90.91 C +HETATM 151 OD1 HYP A 24 -2.859 19.117 7.959 1.00 86.68 O +HETATM 152 OXT HYP A 24 -5.767 15.762 5.280 1.00 86.34 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_183.txt b/protein_pdb_183.txt new file mode 100644 index 0000000000000000000000000000000000000000..9e5263314160100accb70276f366cfd7f115de15 --- /dev/null +++ b/protein_pdb_183.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -0.616 -15.722 -2.786 1.00 85.44 N +ATOM 2 CA GLY A 1 -0.634 -14.781 -3.853 1.00 86.42 C +ATOM 3 C GLY A 1 0.475 -13.749 -3.780 1.00 87.23 C +ATOM 4 O GLY A 1 1.201 -13.675 -2.788 1.00 84.97 O +ATOM 5 N PRO A 2 0.595 -12.978 -4.799 1.00 84.71 N +ATOM 6 CA PRO A 2 1.636 -11.963 -4.859 1.00 85.66 C +ATOM 7 C PRO A 2 1.302 -10.746 -4.019 1.00 85.42 C +ATOM 8 O PRO A 2 0.172 -10.579 -3.566 1.00 82.39 O +ATOM 9 CB PRO A 2 1.673 -11.617 -6.343 1.00 82.09 C +ATOM 10 CG PRO A 2 0.268 -11.827 -6.781 1.00 78.70 C +ATOM 11 CD PRO A 2 -0.228 -13.012 -5.997 1.00 79.78 C +HETATM 12 N HYP A 3 2.319 -9.908 -3.844 1.00 87.05 N +HETATM 13 CA HYP A 3 2.085 -8.676 -3.109 1.00 84.36 C +HETATM 14 C HYP A 3 1.064 -7.809 -3.817 1.00 86.29 C +HETATM 15 O HYP A 3 0.934 -7.878 -5.055 1.00 88.63 O +HETATM 16 CB HYP A 3 3.489 -7.974 -3.182 1.00 84.58 C +HETATM 17 CG HYP A 3 4.466 -9.137 -3.304 1.00 82.42 C +HETATM 18 CD HYP A 3 3.696 -10.121 -4.212 1.00 85.37 C +HETATM 19 OD1 HYP A 3 4.645 -9.708 -2.044 1.00 82.15 O +ATOM 20 N GLY A 4 0.299 -7.109 -3.033 1.00 89.22 N +ATOM 21 CA GLY A 4 -0.679 -6.208 -3.578 1.00 88.69 C +ATOM 22 C GLY A 4 -0.021 -5.017 -4.248 1.00 90.11 C +ATOM 23 O GLY A 4 1.188 -4.821 -4.161 1.00 89.59 O +ATOM 24 N PRO A 5 -0.818 -4.215 -4.931 1.00 86.20 N +ATOM 25 CA PRO A 5 -0.282 -3.048 -5.613 1.00 86.49 C +ATOM 26 C PRO A 5 0.147 -1.971 -4.626 1.00 86.20 C +ATOM 27 O PRO A 5 -0.276 -1.956 -3.480 1.00 84.39 O +ATOM 28 CB PRO A 5 -1.455 -2.573 -6.467 1.00 84.88 C +ATOM 29 CG PRO A 5 -2.649 -3.022 -5.702 1.00 83.07 C +ATOM 30 CD PRO A 5 -2.265 -4.331 -5.082 1.00 84.55 C +HETATM 31 N HYP A 6 1.030 -1.084 -5.102 1.00 87.15 N +HETATM 32 CA HYP A 6 1.392 0.062 -4.303 1.00 89.88 C +HETATM 33 C HYP A 6 0.199 0.889 -3.934 1.00 88.38 C +HETATM 34 O HYP A 6 -0.807 0.934 -4.684 1.00 88.05 O +HETATM 35 CB HYP A 6 2.317 0.863 -5.283 1.00 81.30 C +HETATM 36 CG HYP A 6 2.908 -0.198 -6.170 1.00 81.09 C +HETATM 37 CD HYP A 6 1.741 -1.146 -6.366 1.00 86.34 C +HETATM 38 OD1 HYP A 6 3.949 -0.853 -5.481 1.00 83.29 O +ATOM 39 N GLY A 7 0.235 1.460 -2.776 1.00 88.64 N +ATOM 40 CA GLY A 7 -0.817 2.333 -2.331 1.00 87.47 C +ATOM 41 C GLY A 7 -0.906 3.570 -3.195 1.00 88.11 C +ATOM 42 O GLY A 7 -0.043 3.834 -4.032 1.00 87.33 O +ATOM 43 N PRO A 8 -1.960 4.333 -2.999 1.00 86.91 N +ATOM 44 CA PRO A 8 -2.133 5.538 -3.799 1.00 86.59 C +ATOM 45 C PRO A 8 -1.153 6.622 -3.388 1.00 86.81 C +ATOM 46 O PRO A 8 -0.617 6.626 -2.289 1.00 85.26 O +ATOM 47 CB PRO A 8 -3.570 5.950 -3.493 1.00 84.47 C +ATOM 48 CG PRO A 8 -3.804 5.430 -2.124 1.00 83.41 C +ATOM 49 CD PRO A 8 -3.039 4.137 -2.045 1.00 84.47 C +HETATM 50 N HYP A 9 -0.921 7.556 -4.311 1.00 82.48 N +HETATM 51 CA HYP A 9 -0.109 8.674 -4.015 1.00 81.57 C +HETATM 52 C HYP A 9 -0.745 9.530 -2.949 1.00 85.49 C +HETATM 53 O HYP A 9 -1.972 9.613 -2.838 1.00 83.98 O +HETATM 54 CB HYP A 9 -0.111 9.481 -5.351 1.00 77.32 C +HETATM 55 CG HYP A 9 -0.438 8.498 -6.386 1.00 75.61 C +HETATM 56 CD HYP A 9 -1.357 7.543 -5.725 1.00 82.01 C +HETATM 57 OD1 HYP A 9 0.753 7.829 -6.731 1.00 77.65 O +ATOM 58 N GLY A 10 0.034 10.108 -2.097 1.00 86.66 N +ATOM 59 CA GLY A 10 -0.458 11.113 -1.192 1.00 83.42 C +ATOM 60 C GLY A 10 -0.815 12.368 -1.961 1.00 83.70 C +ATOM 61 O GLY A 10 -0.720 12.416 -3.192 1.00 81.56 O +ATOM 62 N ALA A 11 -1.220 13.387 -1.241 1.00 80.48 N +ATOM 63 CA ALA A 11 -1.571 14.634 -1.907 1.00 84.98 C +ATOM 64 C ALA A 11 -0.454 15.103 -2.823 1.00 86.07 C +ATOM 65 O ALA A 11 -0.709 15.575 -3.932 1.00 83.94 O +ATOM 66 CB ALA A 11 -1.898 15.706 -0.870 1.00 82.81 C +ATOM 67 N THR A 12 0.778 14.959 -2.347 1.00 87.25 N +ATOM 68 CA THR A 12 1.962 15.261 -3.143 1.00 89.05 C +ATOM 69 C THR A 12 3.015 14.172 -2.985 1.00 88.61 C +ATOM 70 O THR A 12 4.166 14.355 -3.381 1.00 85.29 O +ATOM 71 CB THR A 12 2.580 16.614 -2.725 1.00 85.94 C +ATOM 72 OG1 THR A 12 2.967 16.546 -1.359 1.00 81.32 O +ATOM 73 CG2 THR A 12 1.594 17.757 -2.906 1.00 79.47 C +ATOM 74 N GLY A 13 2.645 13.062 -2.407 1.00 90.46 N +ATOM 75 CA GLY A 13 3.600 12.052 -2.003 1.00 89.03 C +ATOM 76 C GLY A 13 3.648 10.832 -2.893 1.00 89.83 C +ATOM 77 O GLY A 13 2.858 10.686 -3.827 1.00 89.63 O +ATOM 78 N PRO A 14 4.579 9.943 -2.598 1.00 90.63 N +ATOM 79 CA PRO A 14 4.767 8.739 -3.388 1.00 90.57 C +ATOM 80 C PRO A 14 3.697 7.697 -3.094 1.00 90.70 C +ATOM 81 O PRO A 14 2.968 7.785 -2.119 1.00 89.05 O +ATOM 82 CB PRO A 14 6.139 8.240 -2.944 1.00 88.84 C +ATOM 83 CG PRO A 14 6.221 8.668 -1.523 1.00 87.91 C +ATOM 84 CD PRO A 14 5.529 10.005 -1.475 1.00 88.46 C +HETATM 85 N HYP A 15 3.665 6.726 -3.963 1.00 89.79 N +HETATM 86 CA HYP A 15 2.808 5.588 -3.726 1.00 90.95 C +HETATM 87 C HYP A 15 3.198 4.865 -2.481 1.00 91.99 C +HETATM 88 O HYP A 15 4.381 4.896 -2.069 1.00 90.73 O +HETATM 89 CB HYP A 15 3.135 4.704 -4.965 1.00 87.75 C +HETATM 90 CG HYP A 15 3.605 5.671 -6.020 1.00 85.31 C +HETATM 91 CD HYP A 15 4.376 6.681 -5.241 1.00 89.14 C +HETATM 92 OD1 HYP A 15 2.504 6.280 -6.643 1.00 86.82 O +ATOM 93 N GLY A 16 2.237 4.289 -1.849 1.00 91.93 N +ATOM 94 CA GLY A 16 2.512 3.470 -0.700 1.00 91.38 C +ATOM 95 C GLY A 16 3.216 2.188 -1.098 1.00 92.10 C +ATOM 96 O GLY A 16 3.371 1.890 -2.284 1.00 91.61 O +ATOM 97 N PRO A 17 3.641 1.427 -0.098 1.00 88.84 N +ATOM 98 CA PRO A 17 4.323 0.171 -0.382 1.00 88.47 C +ATOM 99 C PRO A 17 3.363 -0.875 -0.928 1.00 89.22 C +ATOM 100 O PRO A 17 2.151 -0.752 -0.777 1.00 87.30 O +ATOM 101 CB PRO A 17 4.884 -0.235 0.975 1.00 86.98 C +ATOM 102 CG PRO A 17 3.954 0.387 1.949 1.00 85.85 C +ATOM 103 CD PRO A 17 3.516 1.676 1.332 1.00 86.55 C +HETATM 104 N HYP A 18 3.934 -1.895 -1.572 1.00 82.55 N +HETATM 105 CA HYP A 18 3.128 -2.996 -1.985 1.00 85.69 C +HETATM 106 C HYP A 18 2.417 -3.641 -0.847 1.00 86.38 C +HETATM 107 O HYP A 18 2.925 -3.654 0.291 1.00 86.11 O +HETATM 108 CB HYP A 18 4.174 -3.982 -2.570 1.00 83.33 C +HETATM 109 CG HYP A 18 5.287 -3.098 -3.063 1.00 80.09 C +HETATM 110 CD HYP A 18 5.321 -2.021 -1.992 1.00 85.09 C +HETATM 111 OD1 HYP A 18 4.909 -2.527 -4.306 1.00 82.22 O +ATOM 112 N GLY A 19 1.236 -4.097 -1.107 1.00 83.52 N +ATOM 113 CA GLY A 19 0.477 -4.795 -0.114 1.00 83.55 C +ATOM 114 C GLY A 19 1.124 -6.113 0.247 1.00 84.32 C +ATOM 115 O GLY A 19 2.090 -6.546 -0.380 1.00 84.22 O +ATOM 116 N PRO A 20 0.593 -6.763 1.269 1.00 77.02 N +ATOM 117 CA PRO A 20 1.138 -8.044 1.688 1.00 77.96 C +ATOM 118 C PRO A 20 0.825 -9.131 0.681 1.00 77.81 C +ATOM 119 O PRO A 20 -0.063 -8.979 -0.158 1.00 78.06 O +ATOM 120 CB PRO A 20 0.441 -8.298 3.017 1.00 76.46 C +ATOM 121 CG PRO A 20 -0.864 -7.589 2.870 1.00 74.51 C +ATOM 122 CD PRO A 20 -0.565 -6.366 2.057 1.00 74.48 C +HETATM 123 N HYP A 21 1.593 -10.214 0.778 1.00 83.85 N +HETATM 124 CA HYP A 21 1.290 -11.356 -0.049 1.00 84.36 C +HETATM 125 C HYP A 21 -0.127 -11.835 0.150 1.00 84.69 C +HETATM 126 O HYP A 21 -0.645 -11.774 1.259 1.00 87.11 O +HETATM 127 CB HYP A 21 2.293 -12.405 0.364 1.00 81.46 C +HETATM 128 CG HYP A 21 3.450 -11.634 0.910 1.00 75.10 C +HETATM 129 CD HYP A 21 2.796 -10.455 1.585 1.00 82.98 C +HETATM 130 OD1 HYP A 21 4.234 -11.144 -0.193 1.00 76.94 O +ATOM 131 N GLY A 22 -0.754 -12.197 -0.936 1.00 79.72 N +ATOM 132 CA GLY A 22 -2.082 -12.735 -0.871 1.00 77.19 C +ATOM 133 C GLY A 22 -2.073 -14.099 -0.203 1.00 76.72 C +ATOM 134 O GLY A 22 -1.013 -14.656 0.082 1.00 76.77 O +ATOM 135 N PRO A 23 -3.252 -14.665 0.033 1.00 84.40 N +ATOM 136 CA PRO A 23 -3.324 -15.983 0.649 1.00 85.56 C +ATOM 137 C PRO A 23 -2.878 -17.041 -0.343 1.00 84.14 C +ATOM 138 O PRO A 23 -3.579 -17.319 -1.315 1.00 80.96 O +ATOM 139 CB PRO A 23 -4.791 -16.112 1.026 1.00 81.56 C +ATOM 140 CG PRO A 23 -5.501 -15.216 0.083 1.00 76.84 C +ATOM 141 CD PRO A 23 -4.553 -14.096 -0.241 1.00 78.86 C +HETATM 142 N HYP A 24 -1.722 -17.476 -0.316 1.00 89.38 N +HETATM 143 CA HYP A 24 -0.880 -18.070 -1.408 1.00 84.13 C +HETATM 144 C HYP A 24 -0.497 -17.408 -2.495 1.00 88.95 C +HETATM 145 O HYP A 24 -0.888 -17.764 -3.704 1.00 89.18 O +HETATM 146 CB HYP A 24 -0.173 -19.205 -0.745 1.00 83.32 C +HETATM 147 CG HYP A 24 -1.037 -19.563 0.480 1.00 82.22 C +HETATM 148 CD HYP A 24 -1.939 -18.331 0.737 1.00 86.23 C +HETATM 149 OD1 HYP A 24 -0.250 -19.783 1.633 1.00 84.19 O +HETATM 150 OXT HYP A 24 0.841 -17.003 -2.569 1.00 83.91 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_184.txt b/protein_pdb_184.txt new file mode 100644 index 0000000000000000000000000000000000000000..6a27b771f34a2607378f2e0983e6eaabf1cb31e6 --- /dev/null +++ b/protein_pdb_184.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 1.921 -15.620 -5.811 1.00 81.34 N +ATOM 2 CA GLY A 1 1.208 -14.657 -6.631 1.00 83.80 C +ATOM 3 C GLY A 1 1.937 -13.340 -6.693 1.00 85.10 C +ATOM 4 O GLY A 1 2.973 -13.170 -6.058 1.00 82.78 O +ATOM 5 N PRO A 2 1.401 -12.397 -7.439 1.00 86.31 N +ATOM 6 CA PRO A 2 2.057 -11.106 -7.595 1.00 88.07 C +ATOM 7 C PRO A 2 1.952 -10.262 -6.344 1.00 88.31 C +ATOM 8 O PRO A 2 1.137 -10.521 -5.459 1.00 85.39 O +ATOM 9 CB PRO A 2 1.301 -10.469 -8.757 1.00 84.64 C +ATOM 10 CG PRO A 2 -0.055 -11.075 -8.678 1.00 80.64 C +ATOM 11 CD PRO A 2 0.152 -12.474 -8.195 1.00 81.54 C +HETATM 12 N HYP A 3 2.762 -9.317 -6.303 1.00 88.17 N +HETATM 13 CA HYP A 3 2.692 -8.305 -5.211 1.00 87.75 C +HETATM 14 C HYP A 3 1.346 -7.656 -5.145 1.00 91.67 C +HETATM 15 O HYP A 3 0.669 -7.498 -6.181 1.00 89.63 O +HETATM 16 CB HYP A 3 3.781 -7.305 -5.611 1.00 87.74 C +HETATM 17 CG HYP A 3 4.769 -8.128 -6.425 1.00 83.71 C +HETATM 18 CD HYP A 3 3.841 -9.068 -7.222 1.00 87.85 C +HETATM 19 OD1 HYP A 3 5.538 -8.896 -5.535 1.00 85.35 O +ATOM 20 N GLY A 4 0.934 -7.324 -3.961 1.00 90.44 N +ATOM 21 CA GLY A 4 -0.315 -6.640 -3.763 1.00 90.05 C +ATOM 22 C GLY A 4 -0.274 -5.232 -4.326 1.00 90.82 C +ATOM 23 O GLY A 4 0.765 -4.751 -4.770 1.00 90.67 O +ATOM 24 N PRO A 5 -1.406 -4.578 -4.307 1.00 90.41 N +ATOM 25 CA PRO A 5 -1.468 -3.223 -4.830 1.00 90.47 C +ATOM 26 C PRO A 5 -0.742 -2.239 -3.935 1.00 90.40 C +ATOM 27 O PRO A 5 -0.492 -2.506 -2.764 1.00 88.43 O +ATOM 28 CB PRO A 5 -2.972 -2.937 -4.869 1.00 88.16 C +ATOM 29 CG PRO A 5 -3.534 -3.798 -3.799 1.00 86.76 C +ATOM 30 CD PRO A 5 -2.696 -5.043 -3.793 1.00 88.73 C +HETATM 31 N HYP A 6 -0.390 -1.124 -4.504 1.00 89.87 N +HETATM 32 CA HYP A 6 0.193 -0.042 -3.730 1.00 92.25 C +HETATM 33 C HYP A 6 -0.689 0.373 -2.600 1.00 92.99 C +HETATM 34 O HYP A 6 -1.938 0.274 -2.679 1.00 90.49 O +HETATM 35 CB HYP A 6 0.347 1.060 -4.791 1.00 87.90 C +HETATM 36 CG HYP A 6 0.502 0.299 -6.086 1.00 88.64 C +HETATM 37 CD HYP A 6 -0.454 -0.855 -5.914 1.00 89.46 C +HETATM 38 OD1 HYP A 6 1.822 -0.190 -6.185 1.00 87.10 O +ATOM 39 N GLY A 7 -0.087 0.764 -1.531 1.00 90.51 N +ATOM 40 CA GLY A 7 -0.804 1.268 -0.395 1.00 90.06 C +ATOM 41 C GLY A 7 -1.522 2.563 -0.717 1.00 90.60 C +ATOM 42 O GLY A 7 -1.363 3.134 -1.790 1.00 89.80 O +ATOM 43 N PRO A 8 -2.327 3.018 0.220 1.00 87.10 N +ATOM 44 CA PRO A 8 -3.082 4.237 -0.013 1.00 87.96 C +ATOM 45 C PRO A 8 -2.182 5.466 -0.019 1.00 87.81 C +ATOM 46 O PRO A 8 -1.114 5.477 0.578 1.00 85.65 O +ATOM 47 CB PRO A 8 -4.069 4.272 1.149 1.00 85.74 C +ATOM 48 CG PRO A 8 -3.388 3.510 2.222 1.00 83.86 C +ATOM 49 CD PRO A 8 -2.592 2.440 1.528 1.00 84.81 C +HETATM 50 N HYP A 9 -2.647 6.495 -0.684 1.00 84.18 N +HETATM 51 CA HYP A 9 -1.938 7.731 -0.701 1.00 88.09 C +HETATM 52 C HYP A 9 -1.874 8.346 0.663 1.00 86.89 C +HETATM 53 O HYP A 9 -2.789 8.200 1.477 1.00 87.12 O +HETATM 54 CB HYP A 9 -2.822 8.638 -1.598 1.00 83.11 C +HETATM 55 CG HYP A 9 -3.631 7.724 -2.421 1.00 81.39 C +HETATM 56 CD HYP A 9 -3.853 6.542 -1.537 1.00 85.10 C +HETATM 57 OD1 HYP A 9 -2.846 7.323 -3.534 1.00 83.20 O +ATOM 58 N GLY A 10 -0.823 9.000 0.960 1.00 86.70 N +ATOM 59 CA GLY A 10 -0.780 9.839 2.133 1.00 83.75 C +ATOM 60 C GLY A 10 -1.653 11.061 1.916 1.00 83.74 C +ATOM 61 O GLY A 10 -2.215 11.256 0.836 1.00 83.23 O +ATOM 62 N PRO A 11 -1.764 11.908 2.921 1.00 80.66 N +ATOM 63 CA PRO A 11 -2.612 13.095 2.762 1.00 82.98 C +ATOM 64 C PRO A 11 -2.286 13.912 1.525 1.00 83.77 C +ATOM 65 O PRO A 11 -3.188 14.361 0.820 1.00 81.42 O +ATOM 66 CB PRO A 11 -2.358 13.880 4.052 1.00 80.99 C +ATOM 67 CG PRO A 11 -1.993 12.836 5.045 1.00 80.38 C +ATOM 68 CD PRO A 11 -1.207 11.803 4.271 1.00 80.64 C +ATOM 69 N ASP A 12 -1.007 14.079 1.268 1.00 85.04 N +ATOM 70 CA ASP A 12 -0.529 14.803 0.096 1.00 87.88 C +ATOM 71 C ASP A 12 0.619 14.038 -0.543 1.00 87.75 C +ATOM 72 O ASP A 12 1.564 14.636 -1.052 1.00 83.98 O +ATOM 73 CB ASP A 12 -0.053 16.211 0.488 1.00 86.00 C +ATOM 74 CG ASP A 12 -1.170 17.101 0.988 1.00 79.96 C +ATOM 75 OD1 ASP A 12 -2.186 17.226 0.279 1.00 77.70 O +ATOM 76 OD2 ASP A 12 -1.015 17.691 2.073 1.00 77.42 O +ATOM 77 N GLY A 13 0.557 12.745 -0.499 1.00 88.36 N +ATOM 78 CA GLY A 13 1.695 11.933 -0.870 1.00 86.20 C +ATOM 79 C GLY A 13 1.368 10.784 -1.787 1.00 87.21 C +ATOM 80 O GLY A 13 0.204 10.527 -2.111 1.00 87.21 O +ATOM 81 N PRO A 14 2.403 10.093 -2.208 1.00 86.73 N +ATOM 82 CA PRO A 14 2.252 8.989 -3.139 1.00 87.17 C +ATOM 83 C PRO A 14 1.691 7.750 -2.470 1.00 87.32 C +ATOM 84 O PRO A 14 1.644 7.638 -1.253 1.00 84.41 O +ATOM 85 CB PRO A 14 3.687 8.746 -3.617 1.00 84.76 C +ATOM 86 CG PRO A 14 4.514 9.112 -2.435 1.00 83.34 C +ATOM 87 CD PRO A 14 3.812 10.292 -1.823 1.00 83.57 C +HETATM 88 N HYP A 15 1.314 6.866 -3.312 1.00 87.78 N +HETATM 89 CA HYP A 15 0.891 5.566 -2.830 1.00 86.95 C +HETATM 90 C HYP A 15 1.981 4.863 -2.104 1.00 88.45 C +HETATM 91 O HYP A 15 3.174 5.080 -2.372 1.00 89.93 O +HETATM 92 CB HYP A 15 0.545 4.878 -4.172 1.00 83.62 C +HETATM 93 CG HYP A 15 0.205 6.003 -5.139 1.00 81.72 C +HETATM 94 CD HYP A 15 1.189 7.079 -4.752 1.00 87.42 C +HETATM 95 OD1 HYP A 15 -1.093 6.468 -4.896 1.00 85.29 O +ATOM 96 N GLY A 16 1.605 4.059 -1.169 1.00 92.24 N +ATOM 97 CA GLY A 16 2.565 3.247 -0.468 1.00 91.59 C +ATOM 98 C GLY A 16 3.129 2.159 -1.355 1.00 92.23 C +ATOM 99 O GLY A 16 2.739 2.012 -2.516 1.00 91.53 O +ATOM 100 N PRO A 17 4.059 1.388 -0.807 1.00 88.92 N +ATOM 101 CA PRO A 17 4.672 0.327 -1.585 1.00 89.06 C +ATOM 102 C PRO A 17 3.704 -0.813 -1.857 1.00 89.92 C +ATOM 103 O PRO A 17 2.684 -0.949 -1.186 1.00 87.30 O +ATOM 104 CB PRO A 17 5.843 -0.122 -0.708 1.00 86.94 C +ATOM 105 CG PRO A 17 5.461 0.275 0.659 1.00 85.54 C +ATOM 106 CD PRO A 17 4.598 1.485 0.549 1.00 86.08 C +HETATM 107 N HYP A 18 4.053 -1.620 -2.840 1.00 85.85 N +HETATM 108 CA HYP A 18 3.275 -2.786 -3.110 1.00 88.97 C +HETATM 109 C HYP A 18 3.192 -3.712 -1.956 1.00 87.95 C +HETATM 110 O HYP A 18 4.130 -3.796 -1.143 1.00 89.02 O +HETATM 111 CB HYP A 18 4.049 -3.419 -4.278 1.00 86.44 C +HETATM 112 CG HYP A 18 4.713 -2.260 -4.973 1.00 84.30 C +HETATM 113 CD HYP A 18 5.102 -1.382 -3.804 1.00 87.31 C +HETATM 114 OD1 HYP A 18 3.756 -1.586 -5.763 1.00 85.54 O +ATOM 115 N GLY A 19 2.092 -4.361 -1.822 1.00 87.72 N +ATOM 116 CA GLY A 19 1.915 -5.342 -0.795 1.00 87.46 C +ATOM 117 C GLY A 19 2.783 -6.559 -1.027 1.00 88.22 C +ATOM 118 O GLY A 19 3.469 -6.669 -2.040 1.00 88.15 O +ATOM 119 N PRO A 20 2.744 -7.479 -0.090 1.00 83.41 N +ATOM 120 CA PRO A 20 3.551 -8.677 -0.219 1.00 84.08 C +ATOM 121 C PRO A 20 3.029 -9.589 -1.316 1.00 84.01 C +ATOM 122 O PRO A 20 1.883 -9.468 -1.745 1.00 83.68 O +ATOM 123 CB PRO A 20 3.420 -9.331 1.156 1.00 81.55 C +ATOM 124 CG PRO A 20 2.098 -8.860 1.651 1.00 77.78 C +ATOM 125 CD PRO A 20 1.938 -7.469 1.123 1.00 79.07 C +HETATM 126 N HYP A 21 3.882 -10.472 -1.751 1.00 84.46 N +HETATM 127 CA HYP A 21 3.465 -11.441 -2.715 1.00 84.79 C +HETATM 128 C HYP A 21 2.293 -12.290 -2.257 1.00 85.59 C +HETATM 129 O HYP A 21 2.186 -12.541 -1.069 1.00 88.15 O +HETATM 130 CB HYP A 21 4.673 -12.284 -2.997 1.00 83.92 C +HETATM 131 CG HYP A 21 5.829 -11.388 -2.659 1.00 78.34 C +HETATM 132 CD HYP A 21 5.313 -10.594 -1.472 1.00 82.34 C +HETATM 133 OD1 HYP A 21 6.050 -10.478 -3.736 1.00 82.63 O +ATOM 134 N GLY A 22 1.413 -12.575 -3.157 1.00 77.74 N +ATOM 135 CA GLY A 22 0.290 -13.408 -2.851 1.00 74.48 C +ATOM 136 C GLY A 22 0.711 -14.851 -2.654 1.00 74.00 C +ATOM 137 O GLY A 22 1.891 -15.191 -2.761 1.00 74.96 O +ATOM 138 N PRO A 23 -0.242 -15.721 -2.395 1.00 83.13 N +ATOM 139 CA PRO A 23 0.067 -17.139 -2.244 1.00 83.98 C +ATOM 140 C PRO A 23 0.693 -17.684 -3.511 1.00 82.94 C +ATOM 141 O PRO A 23 0.316 -17.285 -4.610 1.00 79.02 O +ATOM 142 CB PRO A 23 -1.294 -17.769 -1.984 1.00 78.92 C +ATOM 143 CG PRO A 23 -2.138 -16.651 -1.490 1.00 74.87 C +ATOM 144 CD PRO A 23 -1.652 -15.437 -2.203 1.00 76.25 C +HETATM 145 N HYP A 24 1.590 -18.514 -3.455 1.00 87.69 N +HETATM 146 CA HYP A 24 2.297 -18.949 -4.664 1.00 82.61 C +HETATM 147 C HYP A 24 2.287 -18.069 -5.786 1.00 86.26 C +HETATM 148 O HYP A 24 2.167 -18.512 -6.925 1.00 78.66 O +HETATM 149 CB HYP A 24 2.855 -20.203 -4.412 1.00 83.61 C +HETATM 150 CG HYP A 24 2.495 -20.570 -2.939 1.00 81.77 C +HETATM 151 CD HYP A 24 1.576 -19.458 -2.437 1.00 85.74 C +HETATM 152 OD1 HYP A 24 3.673 -20.486 -2.132 1.00 81.22 O +HETATM 153 OXT HYP A 24 2.503 -16.879 -5.565 1.00 75.70 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_185.txt b/protein_pdb_185.txt new file mode 100644 index 0000000000000000000000000000000000000000..04a370c1c73280c63797c2f9b89f85145777c845 --- /dev/null +++ b/protein_pdb_185.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 26.318 -23.280 -1.454 1.00 87.04 N +ATOM 2 CA GLY A 1 26.609 -21.854 -1.336 1.00 89.33 C +ATOM 3 C GLY A 1 25.579 -21.145 -0.486 1.00 89.53 C +ATOM 4 O GLY A 1 24.548 -21.730 -0.145 1.00 87.93 O +ATOM 5 N PRO A 2 25.805 -19.893 -0.128 1.00 89.44 N +ATOM 6 CA PRO A 2 24.857 -19.147 0.699 1.00 92.08 C +ATOM 7 C PRO A 2 23.581 -18.822 -0.065 1.00 91.63 C +ATOM 8 O PRO A 2 23.577 -18.742 -1.288 1.00 91.17 O +ATOM 9 CB PRO A 2 25.625 -17.880 1.073 1.00 90.07 C +ATOM 10 CG PRO A 2 26.562 -17.697 -0.071 1.00 85.59 C +ATOM 11 CD PRO A 2 26.983 -19.090 -0.454 1.00 87.42 C +HETATM 12 N HYP A 3 22.563 -18.675 0.609 1.00 89.07 N +HETATM 13 CA HYP A 3 21.223 -18.233 0.062 1.00 89.66 C +HETATM 14 C HYP A 3 21.285 -16.890 -0.632 1.00 87.78 C +HETATM 15 O HYP A 3 22.075 -16.007 -0.261 1.00 89.26 O +HETATM 16 CB HYP A 3 20.381 -18.165 1.321 1.00 86.80 C +HETATM 17 CG HYP A 3 21.041 -19.088 2.328 1.00 83.94 C +HETATM 18 CD HYP A 3 22.537 -18.873 2.043 1.00 85.66 C +HETATM 19 OD1 HYP A 3 20.714 -20.420 2.093 1.00 88.97 O +ATOM 20 N GLY A 4 20.447 -16.696 -1.638 1.00 92.30 N +ATOM 21 CA GLY A 4 20.368 -15.440 -2.336 1.00 91.75 C +ATOM 22 C GLY A 4 19.646 -14.398 -1.481 1.00 91.91 C +ATOM 23 O GLY A 4 19.069 -14.725 -0.448 1.00 92.38 O +ATOM 24 N PRO A 5 19.658 -13.146 -1.917 1.00 91.74 N +ATOM 25 CA PRO A 5 18.995 -12.086 -1.158 1.00 92.46 C +ATOM 26 C PRO A 5 17.479 -12.191 -1.241 1.00 92.44 C +ATOM 27 O PRO A 5 16.939 -12.756 -2.183 1.00 92.10 O +ATOM 28 CB PRO A 5 19.512 -10.809 -1.809 1.00 90.78 C +ATOM 29 CG PRO A 5 19.759 -11.231 -3.223 1.00 87.92 C +ATOM 30 CD PRO A 5 20.319 -12.627 -3.113 1.00 89.57 C +HETATM 31 N HYP A 6 16.815 -11.680 -0.254 1.00 89.18 N +HETATM 32 CA HYP A 6 15.327 -11.561 -0.289 1.00 93.28 C +HETATM 33 C HYP A 6 14.835 -10.727 -1.412 1.00 87.97 C +HETATM 34 O HYP A 6 15.516 -9.776 -1.878 1.00 88.73 O +HETATM 35 CB HYP A 6 15.028 -10.888 1.071 1.00 86.09 C +HETATM 36 CG HYP A 6 16.176 -11.250 1.983 1.00 84.60 C +HETATM 37 CD HYP A 6 17.337 -11.239 1.025 1.00 88.89 C +HETATM 38 OD1 HYP A 6 16.005 -12.529 2.537 1.00 87.48 O +ATOM 39 N GLY A 7 13.619 -11.006 -1.930 1.00 93.12 N +ATOM 40 CA GLY A 7 13.012 -10.250 -2.997 1.00 92.15 C +ATOM 41 C GLY A 7 12.586 -8.872 -2.523 1.00 92.50 C +ATOM 42 O GLY A 7 12.625 -8.572 -1.327 1.00 92.18 O +ATOM 43 N PRO A 8 12.151 -8.021 -3.445 1.00 92.14 N +ATOM 44 CA PRO A 8 11.727 -6.671 -3.079 1.00 92.25 C +ATOM 45 C PRO A 8 10.406 -6.683 -2.315 1.00 91.92 C +ATOM 46 O PRO A 8 9.611 -7.604 -2.456 1.00 90.84 O +ATOM 47 CB PRO A 8 11.601 -5.959 -4.419 1.00 90.62 C +ATOM 48 CG PRO A 8 11.256 -7.062 -5.355 1.00 89.99 C +ATOM 49 CD PRO A 8 12.076 -8.241 -4.876 1.00 91.82 C +HETATM 50 N HYP A 9 10.159 -5.663 -1.522 1.00 89.07 N +HETATM 51 CA HYP A 9 8.894 -5.488 -0.830 1.00 90.87 C +HETATM 52 C HYP A 9 7.750 -5.292 -1.754 1.00 88.88 C +HETATM 53 O HYP A 9 7.899 -4.686 -2.843 1.00 89.20 O +HETATM 54 CB HYP A 9 9.148 -4.183 -0.015 1.00 86.94 C +HETATM 55 CG HYP A 9 10.625 -4.124 0.164 1.00 86.53 C +HETATM 56 CD HYP A 9 11.127 -4.689 -1.105 1.00 89.44 C +HETATM 57 OD1 HYP A 9 11.021 -4.934 1.243 1.00 86.49 O +ATOM 58 N GLY A 10 6.541 -5.753 -1.374 1.00 91.18 N +ATOM 59 CA GLY A 10 5.348 -5.601 -2.169 1.00 89.35 C +ATOM 60 C GLY A 10 4.952 -4.140 -2.309 1.00 89.74 C +ATOM 61 O GLY A 10 5.368 -3.283 -1.525 1.00 88.22 O +ATOM 62 N GLN A 11 4.129 -3.860 -3.316 1.00 89.83 N +ATOM 63 CA GLN A 11 3.651 -2.502 -3.558 1.00 90.71 C +ATOM 64 C GLN A 11 2.573 -2.130 -2.545 1.00 90.37 C +ATOM 65 O GLN A 11 1.829 -2.979 -2.069 1.00 88.36 O +ATOM 66 CB GLN A 11 3.084 -2.387 -4.972 1.00 88.32 C +ATOM 67 CG GLN A 11 4.119 -2.572 -6.066 1.00 83.11 C +ATOM 68 CD GLN A 11 5.143 -1.462 -6.088 1.00 78.67 C +ATOM 69 OE1 GLN A 11 4.818 -0.298 -5.889 1.00 74.93 O +ATOM 70 NE2 GLN A 11 6.393 -1.808 -6.327 1.00 72.41 N +ATOM 71 N ALA A 12 2.500 -0.847 -2.236 1.00 88.00 N +ATOM 72 CA ALA A 12 1.466 -0.361 -1.337 1.00 88.17 C +ATOM 73 C ALA A 12 0.109 -0.538 -2.003 1.00 88.82 C +ATOM 74 O ALA A 12 -0.008 -0.474 -3.228 1.00 84.80 O +ATOM 75 CB ALA A 12 1.700 1.111 -1.008 1.00 84.97 C +ATOM 76 N GLY A 13 -0.904 -0.776 -1.189 1.00 89.27 N +ATOM 77 CA GLY A 13 -2.240 -0.959 -1.716 1.00 88.07 C +ATOM 78 C GLY A 13 -2.833 0.335 -2.238 1.00 88.51 C +ATOM 79 O GLY A 13 -2.230 1.405 -2.109 1.00 88.66 O +ATOM 80 N PRO A 14 -4.036 0.267 -2.833 1.00 86.91 N +ATOM 81 CA PRO A 14 -4.691 1.455 -3.379 1.00 88.58 C +ATOM 82 C PRO A 14 -5.147 2.394 -2.272 1.00 88.21 C +ATOM 83 O PRO A 14 -5.286 1.996 -1.119 1.00 88.28 O +ATOM 84 CB PRO A 14 -5.867 0.893 -4.160 1.00 87.27 C +ATOM 85 CG PRO A 14 -6.180 -0.374 -3.452 1.00 85.71 C +ATOM 86 CD PRO A 14 -4.836 -0.934 -3.060 1.00 85.99 C +HETATM 87 N HYP A 15 -5.417 3.655 -2.605 1.00 83.26 N +HETATM 88 CA HYP A 15 -5.927 4.644 -1.699 1.00 85.08 C +HETATM 89 C HYP A 15 -7.265 4.252 -1.047 1.00 85.98 C +HETATM 90 O HYP A 15 -8.033 3.482 -1.644 1.00 85.79 O +HETATM 91 CB HYP A 15 -6.112 5.831 -2.621 1.00 82.96 C +HETATM 92 CG HYP A 15 -5.082 5.624 -3.677 1.00 80.65 C +HETATM 93 CD HYP A 15 -5.139 4.154 -3.870 1.00 82.27 C +HETATM 94 OD1 HYP A 15 -3.825 6.003 -3.241 1.00 84.43 O +ATOM 95 N GLY A 16 -7.494 4.678 0.133 1.00 91.21 N +ATOM 96 CA GLY A 16 -8.728 4.386 0.809 1.00 90.55 C +ATOM 97 C GLY A 16 -9.893 5.120 0.169 1.00 91.03 C +ATOM 98 O GLY A 16 -9.700 5.974 -0.704 1.00 91.35 O +ATOM 99 N PRO A 17 -11.118 4.805 0.596 1.00 83.90 N +ATOM 100 CA PRO A 17 -12.295 5.450 0.028 1.00 85.48 C +ATOM 101 C PRO A 17 -12.412 6.899 0.461 1.00 85.92 C +ATOM 102 O PRO A 17 -11.869 7.299 1.483 1.00 87.05 O +ATOM 103 CB PRO A 17 -13.451 4.605 0.570 1.00 84.36 C +ATOM 104 CG PRO A 17 -12.925 4.108 1.873 1.00 81.66 C +ATOM 105 CD PRO A 17 -11.468 3.813 1.604 1.00 81.56 C +HETATM 106 N HYP A 18 -13.109 7.720 -0.274 1.00 85.09 N +HETATM 107 CA HYP A 18 -13.411 9.081 0.059 1.00 89.18 C +HETATM 108 C HYP A 18 -14.246 9.217 1.323 1.00 87.75 C +HETATM 109 O HYP A 18 -14.985 8.283 1.704 1.00 89.10 O +HETATM 110 CB HYP A 18 -14.219 9.537 -1.141 1.00 87.21 C +HETATM 111 CG HYP A 18 -13.759 8.692 -2.283 1.00 82.33 C +HETATM 112 CD HYP A 18 -13.530 7.382 -1.597 1.00 85.58 C +HETATM 113 OD1 HYP A 18 -12.558 9.173 -2.825 1.00 88.91 O +ATOM 114 N GLY A 19 -14.141 10.317 1.999 1.00 91.90 N +ATOM 115 CA GLY A 19 -14.911 10.581 3.182 1.00 91.19 C +ATOM 116 C GLY A 19 -16.378 10.773 2.839 1.00 91.61 C +ATOM 117 O GLY A 19 -16.757 10.804 1.664 1.00 91.25 O +ATOM 118 N PRO A 20 -17.230 10.921 3.856 1.00 85.01 N +ATOM 119 CA PRO A 20 -18.658 11.079 3.622 1.00 85.65 C +ATOM 120 C PRO A 20 -18.980 12.426 2.982 1.00 85.21 C +ATOM 121 O PRO A 20 -18.242 13.392 3.137 1.00 84.27 O +ATOM 122 CB PRO A 20 -19.262 10.963 5.023 1.00 83.48 C +ATOM 123 CG PRO A 20 -18.161 11.431 5.916 1.00 80.75 C +ATOM 124 CD PRO A 20 -16.903 10.896 5.275 1.00 81.74 C +HETATM 125 N HYP A 21 -20.078 12.535 2.287 1.00 90.86 N +HETATM 126 CA HYP A 21 -20.556 13.747 1.660 1.00 89.48 C +HETATM 127 C HYP A 21 -20.976 14.838 2.653 1.00 89.36 C +HETATM 128 O HYP A 21 -21.361 14.498 3.788 1.00 90.10 O +HETATM 129 CB HYP A 21 -21.870 13.253 0.950 1.00 87.73 C +HETATM 130 CG HYP A 21 -21.653 11.812 0.708 1.00 84.69 C +HETATM 131 CD HYP A 21 -20.869 11.380 1.923 1.00 88.43 C +HETATM 132 OD1 HYP A 21 -20.855 11.604 -0.439 1.00 87.44 O +ATOM 133 N GLY A 22 -20.840 16.060 2.299 1.00 89.81 N +ATOM 134 CA GLY A 22 -21.252 17.152 3.133 1.00 89.36 C +ATOM 135 C GLY A 22 -22.771 17.213 3.222 1.00 89.84 C +ATOM 136 O GLY A 22 -23.471 16.443 2.567 1.00 88.81 O +ATOM 137 N PRO A 23 -23.320 18.166 3.987 1.00 88.61 N +ATOM 138 CA PRO A 23 -24.766 18.276 4.133 1.00 89.56 C +ATOM 139 C PRO A 23 -25.410 18.777 2.856 1.00 88.93 C +ATOM 140 O PRO A 23 -24.770 19.428 2.035 1.00 85.85 O +ATOM 141 CB PRO A 23 -24.926 19.265 5.284 1.00 86.08 C +ATOM 142 CG PRO A 23 -23.703 20.108 5.186 1.00 83.94 C +ATOM 143 CD PRO A 23 -22.612 19.151 4.792 1.00 85.90 C +HETATM 144 N HYP A 24 -26.736 18.575 2.671 1.00 87.27 N +HETATM 145 CA HYP A 24 -27.391 19.067 1.477 1.00 87.12 C +HETATM 146 C HYP A 24 -27.357 20.563 1.431 1.00 86.39 C +HETATM 147 O HYP A 24 -28.126 21.274 2.066 1.00 84.69 O +HETATM 148 CB HYP A 24 -28.854 18.600 1.631 1.00 88.25 C +HETATM 149 CG HYP A 24 -28.816 17.468 2.582 1.00 86.50 C +HETATM 150 CD HYP A 24 -27.625 17.788 3.489 1.00 87.29 C +HETATM 151 OD1 HYP A 24 -28.540 16.287 1.880 1.00 84.77 O +HETATM 152 OXT HYP A 24 -26.408 20.984 0.794 1.00 83.40 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_186.txt b/protein_pdb_186.txt new file mode 100644 index 0000000000000000000000000000000000000000..6a27b771f34a2607378f2e0983e6eaabf1cb31e6 --- /dev/null +++ b/protein_pdb_186.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 1.921 -15.620 -5.811 1.00 81.34 N +ATOM 2 CA GLY A 1 1.208 -14.657 -6.631 1.00 83.80 C +ATOM 3 C GLY A 1 1.937 -13.340 -6.693 1.00 85.10 C +ATOM 4 O GLY A 1 2.973 -13.170 -6.058 1.00 82.78 O +ATOM 5 N PRO A 2 1.401 -12.397 -7.439 1.00 86.31 N +ATOM 6 CA PRO A 2 2.057 -11.106 -7.595 1.00 88.07 C +ATOM 7 C PRO A 2 1.952 -10.262 -6.344 1.00 88.31 C +ATOM 8 O PRO A 2 1.137 -10.521 -5.459 1.00 85.39 O +ATOM 9 CB PRO A 2 1.301 -10.469 -8.757 1.00 84.64 C +ATOM 10 CG PRO A 2 -0.055 -11.075 -8.678 1.00 80.64 C +ATOM 11 CD PRO A 2 0.152 -12.474 -8.195 1.00 81.54 C +HETATM 12 N HYP A 3 2.762 -9.317 -6.303 1.00 88.17 N +HETATM 13 CA HYP A 3 2.692 -8.305 -5.211 1.00 87.75 C +HETATM 14 C HYP A 3 1.346 -7.656 -5.145 1.00 91.67 C +HETATM 15 O HYP A 3 0.669 -7.498 -6.181 1.00 89.63 O +HETATM 16 CB HYP A 3 3.781 -7.305 -5.611 1.00 87.74 C +HETATM 17 CG HYP A 3 4.769 -8.128 -6.425 1.00 83.71 C +HETATM 18 CD HYP A 3 3.841 -9.068 -7.222 1.00 87.85 C +HETATM 19 OD1 HYP A 3 5.538 -8.896 -5.535 1.00 85.35 O +ATOM 20 N GLY A 4 0.934 -7.324 -3.961 1.00 90.44 N +ATOM 21 CA GLY A 4 -0.315 -6.640 -3.763 1.00 90.05 C +ATOM 22 C GLY A 4 -0.274 -5.232 -4.326 1.00 90.82 C +ATOM 23 O GLY A 4 0.765 -4.751 -4.770 1.00 90.67 O +ATOM 24 N PRO A 5 -1.406 -4.578 -4.307 1.00 90.41 N +ATOM 25 CA PRO A 5 -1.468 -3.223 -4.830 1.00 90.47 C +ATOM 26 C PRO A 5 -0.742 -2.239 -3.935 1.00 90.40 C +ATOM 27 O PRO A 5 -0.492 -2.506 -2.764 1.00 88.43 O +ATOM 28 CB PRO A 5 -2.972 -2.937 -4.869 1.00 88.16 C +ATOM 29 CG PRO A 5 -3.534 -3.798 -3.799 1.00 86.76 C +ATOM 30 CD PRO A 5 -2.696 -5.043 -3.793 1.00 88.73 C +HETATM 31 N HYP A 6 -0.390 -1.124 -4.504 1.00 89.87 N +HETATM 32 CA HYP A 6 0.193 -0.042 -3.730 1.00 92.25 C +HETATM 33 C HYP A 6 -0.689 0.373 -2.600 1.00 92.99 C +HETATM 34 O HYP A 6 -1.938 0.274 -2.679 1.00 90.49 O +HETATM 35 CB HYP A 6 0.347 1.060 -4.791 1.00 87.90 C +HETATM 36 CG HYP A 6 0.502 0.299 -6.086 1.00 88.64 C +HETATM 37 CD HYP A 6 -0.454 -0.855 -5.914 1.00 89.46 C +HETATM 38 OD1 HYP A 6 1.822 -0.190 -6.185 1.00 87.10 O +ATOM 39 N GLY A 7 -0.087 0.764 -1.531 1.00 90.51 N +ATOM 40 CA GLY A 7 -0.804 1.268 -0.395 1.00 90.06 C +ATOM 41 C GLY A 7 -1.522 2.563 -0.717 1.00 90.60 C +ATOM 42 O GLY A 7 -1.363 3.134 -1.790 1.00 89.80 O +ATOM 43 N PRO A 8 -2.327 3.018 0.220 1.00 87.10 N +ATOM 44 CA PRO A 8 -3.082 4.237 -0.013 1.00 87.96 C +ATOM 45 C PRO A 8 -2.182 5.466 -0.019 1.00 87.81 C +ATOM 46 O PRO A 8 -1.114 5.477 0.578 1.00 85.65 O +ATOM 47 CB PRO A 8 -4.069 4.272 1.149 1.00 85.74 C +ATOM 48 CG PRO A 8 -3.388 3.510 2.222 1.00 83.86 C +ATOM 49 CD PRO A 8 -2.592 2.440 1.528 1.00 84.81 C +HETATM 50 N HYP A 9 -2.647 6.495 -0.684 1.00 84.18 N +HETATM 51 CA HYP A 9 -1.938 7.731 -0.701 1.00 88.09 C +HETATM 52 C HYP A 9 -1.874 8.346 0.663 1.00 86.89 C +HETATM 53 O HYP A 9 -2.789 8.200 1.477 1.00 87.12 O +HETATM 54 CB HYP A 9 -2.822 8.638 -1.598 1.00 83.11 C +HETATM 55 CG HYP A 9 -3.631 7.724 -2.421 1.00 81.39 C +HETATM 56 CD HYP A 9 -3.853 6.542 -1.537 1.00 85.10 C +HETATM 57 OD1 HYP A 9 -2.846 7.323 -3.534 1.00 83.20 O +ATOM 58 N GLY A 10 -0.823 9.000 0.960 1.00 86.70 N +ATOM 59 CA GLY A 10 -0.780 9.839 2.133 1.00 83.75 C +ATOM 60 C GLY A 10 -1.653 11.061 1.916 1.00 83.74 C +ATOM 61 O GLY A 10 -2.215 11.256 0.836 1.00 83.23 O +ATOM 62 N PRO A 11 -1.764 11.908 2.921 1.00 80.66 N +ATOM 63 CA PRO A 11 -2.612 13.095 2.762 1.00 82.98 C +ATOM 64 C PRO A 11 -2.286 13.912 1.525 1.00 83.77 C +ATOM 65 O PRO A 11 -3.188 14.361 0.820 1.00 81.42 O +ATOM 66 CB PRO A 11 -2.358 13.880 4.052 1.00 80.99 C +ATOM 67 CG PRO A 11 -1.993 12.836 5.045 1.00 80.38 C +ATOM 68 CD PRO A 11 -1.207 11.803 4.271 1.00 80.64 C +ATOM 69 N ASP A 12 -1.007 14.079 1.268 1.00 85.04 N +ATOM 70 CA ASP A 12 -0.529 14.803 0.096 1.00 87.88 C +ATOM 71 C ASP A 12 0.619 14.038 -0.543 1.00 87.75 C +ATOM 72 O ASP A 12 1.564 14.636 -1.052 1.00 83.98 O +ATOM 73 CB ASP A 12 -0.053 16.211 0.488 1.00 86.00 C +ATOM 74 CG ASP A 12 -1.170 17.101 0.988 1.00 79.96 C +ATOM 75 OD1 ASP A 12 -2.186 17.226 0.279 1.00 77.70 O +ATOM 76 OD2 ASP A 12 -1.015 17.691 2.073 1.00 77.42 O +ATOM 77 N GLY A 13 0.557 12.745 -0.499 1.00 88.36 N +ATOM 78 CA GLY A 13 1.695 11.933 -0.870 1.00 86.20 C +ATOM 79 C GLY A 13 1.368 10.784 -1.787 1.00 87.21 C +ATOM 80 O GLY A 13 0.204 10.527 -2.111 1.00 87.21 O +ATOM 81 N PRO A 14 2.403 10.093 -2.208 1.00 86.73 N +ATOM 82 CA PRO A 14 2.252 8.989 -3.139 1.00 87.17 C +ATOM 83 C PRO A 14 1.691 7.750 -2.470 1.00 87.32 C +ATOM 84 O PRO A 14 1.644 7.638 -1.253 1.00 84.41 O +ATOM 85 CB PRO A 14 3.687 8.746 -3.617 1.00 84.76 C +ATOM 86 CG PRO A 14 4.514 9.112 -2.435 1.00 83.34 C +ATOM 87 CD PRO A 14 3.812 10.292 -1.823 1.00 83.57 C +HETATM 88 N HYP A 15 1.314 6.866 -3.312 1.00 87.78 N +HETATM 89 CA HYP A 15 0.891 5.566 -2.830 1.00 86.95 C +HETATM 90 C HYP A 15 1.981 4.863 -2.104 1.00 88.45 C +HETATM 91 O HYP A 15 3.174 5.080 -2.372 1.00 89.93 O +HETATM 92 CB HYP A 15 0.545 4.878 -4.172 1.00 83.62 C +HETATM 93 CG HYP A 15 0.205 6.003 -5.139 1.00 81.72 C +HETATM 94 CD HYP A 15 1.189 7.079 -4.752 1.00 87.42 C +HETATM 95 OD1 HYP A 15 -1.093 6.468 -4.896 1.00 85.29 O +ATOM 96 N GLY A 16 1.605 4.059 -1.169 1.00 92.24 N +ATOM 97 CA GLY A 16 2.565 3.247 -0.468 1.00 91.59 C +ATOM 98 C GLY A 16 3.129 2.159 -1.355 1.00 92.23 C +ATOM 99 O GLY A 16 2.739 2.012 -2.516 1.00 91.53 O +ATOM 100 N PRO A 17 4.059 1.388 -0.807 1.00 88.92 N +ATOM 101 CA PRO A 17 4.672 0.327 -1.585 1.00 89.06 C +ATOM 102 C PRO A 17 3.704 -0.813 -1.857 1.00 89.92 C +ATOM 103 O PRO A 17 2.684 -0.949 -1.186 1.00 87.30 O +ATOM 104 CB PRO A 17 5.843 -0.122 -0.708 1.00 86.94 C +ATOM 105 CG PRO A 17 5.461 0.275 0.659 1.00 85.54 C +ATOM 106 CD PRO A 17 4.598 1.485 0.549 1.00 86.08 C +HETATM 107 N HYP A 18 4.053 -1.620 -2.840 1.00 85.85 N +HETATM 108 CA HYP A 18 3.275 -2.786 -3.110 1.00 88.97 C +HETATM 109 C HYP A 18 3.192 -3.712 -1.956 1.00 87.95 C +HETATM 110 O HYP A 18 4.130 -3.796 -1.143 1.00 89.02 O +HETATM 111 CB HYP A 18 4.049 -3.419 -4.278 1.00 86.44 C +HETATM 112 CG HYP A 18 4.713 -2.260 -4.973 1.00 84.30 C +HETATM 113 CD HYP A 18 5.102 -1.382 -3.804 1.00 87.31 C +HETATM 114 OD1 HYP A 18 3.756 -1.586 -5.763 1.00 85.54 O +ATOM 115 N GLY A 19 2.092 -4.361 -1.822 1.00 87.72 N +ATOM 116 CA GLY A 19 1.915 -5.342 -0.795 1.00 87.46 C +ATOM 117 C GLY A 19 2.783 -6.559 -1.027 1.00 88.22 C +ATOM 118 O GLY A 19 3.469 -6.669 -2.040 1.00 88.15 O +ATOM 119 N PRO A 20 2.744 -7.479 -0.090 1.00 83.41 N +ATOM 120 CA PRO A 20 3.551 -8.677 -0.219 1.00 84.08 C +ATOM 121 C PRO A 20 3.029 -9.589 -1.316 1.00 84.01 C +ATOM 122 O PRO A 20 1.883 -9.468 -1.745 1.00 83.68 O +ATOM 123 CB PRO A 20 3.420 -9.331 1.156 1.00 81.55 C +ATOM 124 CG PRO A 20 2.098 -8.860 1.651 1.00 77.78 C +ATOM 125 CD PRO A 20 1.938 -7.469 1.123 1.00 79.07 C +HETATM 126 N HYP A 21 3.882 -10.472 -1.751 1.00 84.46 N +HETATM 127 CA HYP A 21 3.465 -11.441 -2.715 1.00 84.79 C +HETATM 128 C HYP A 21 2.293 -12.290 -2.257 1.00 85.59 C +HETATM 129 O HYP A 21 2.186 -12.541 -1.069 1.00 88.15 O +HETATM 130 CB HYP A 21 4.673 -12.284 -2.997 1.00 83.92 C +HETATM 131 CG HYP A 21 5.829 -11.388 -2.659 1.00 78.34 C +HETATM 132 CD HYP A 21 5.313 -10.594 -1.472 1.00 82.34 C +HETATM 133 OD1 HYP A 21 6.050 -10.478 -3.736 1.00 82.63 O +ATOM 134 N GLY A 22 1.413 -12.575 -3.157 1.00 77.74 N +ATOM 135 CA GLY A 22 0.290 -13.408 -2.851 1.00 74.48 C +ATOM 136 C GLY A 22 0.711 -14.851 -2.654 1.00 74.00 C +ATOM 137 O GLY A 22 1.891 -15.191 -2.761 1.00 74.96 O +ATOM 138 N PRO A 23 -0.242 -15.721 -2.395 1.00 83.13 N +ATOM 139 CA PRO A 23 0.067 -17.139 -2.244 1.00 83.98 C +ATOM 140 C PRO A 23 0.693 -17.684 -3.511 1.00 82.94 C +ATOM 141 O PRO A 23 0.316 -17.285 -4.610 1.00 79.02 O +ATOM 142 CB PRO A 23 -1.294 -17.769 -1.984 1.00 78.92 C +ATOM 143 CG PRO A 23 -2.138 -16.651 -1.490 1.00 74.87 C +ATOM 144 CD PRO A 23 -1.652 -15.437 -2.203 1.00 76.25 C +HETATM 145 N HYP A 24 1.590 -18.514 -3.455 1.00 87.69 N +HETATM 146 CA HYP A 24 2.297 -18.949 -4.664 1.00 82.61 C +HETATM 147 C HYP A 24 2.287 -18.069 -5.786 1.00 86.26 C +HETATM 148 O HYP A 24 2.167 -18.512 -6.925 1.00 78.66 O +HETATM 149 CB HYP A 24 2.855 -20.203 -4.412 1.00 83.61 C +HETATM 150 CG HYP A 24 2.495 -20.570 -2.939 1.00 81.77 C +HETATM 151 CD HYP A 24 1.576 -19.458 -2.437 1.00 85.74 C +HETATM 152 OD1 HYP A 24 3.673 -20.486 -2.132 1.00 81.22 O +HETATM 153 OXT HYP A 24 2.503 -16.879 -5.565 1.00 75.70 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_187.txt b/protein_pdb_187.txt new file mode 100644 index 0000000000000000000000000000000000000000..0cc413e2d50512b54f7d4269655ec6ac14141d4c --- /dev/null +++ b/protein_pdb_187.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 7.196 -4.416 -13.249 1.00 91.43 N +ATOM 2 CA GLY A 1 6.502 -3.211 -12.950 1.00 91.94 C +ATOM 3 C GLY A 1 6.960 -2.514 -11.683 1.00 92.44 C +ATOM 4 O GLY A 1 7.668 -3.086 -10.859 1.00 90.96 O +ATOM 5 N PRO A 2 6.547 -1.313 -11.530 1.00 92.03 N +ATOM 6 CA PRO A 2 6.893 -0.540 -10.352 1.00 92.38 C +ATOM 7 C PRO A 2 6.122 -0.999 -9.135 1.00 92.33 C +ATOM 8 O PRO A 2 5.164 -1.758 -9.234 1.00 90.91 O +ATOM 9 CB PRO A 2 6.504 0.881 -10.757 1.00 89.49 C +ATOM 10 CG PRO A 2 5.374 0.679 -11.691 1.00 85.84 C +ATOM 11 CD PRO A 2 5.723 -0.560 -12.469 1.00 88.42 C +HETATM 12 N HYP A 3 6.563 -0.514 -7.991 1.00 91.06 N +HETATM 13 CA HYP A 3 5.847 -0.844 -6.770 1.00 88.89 C +HETATM 14 C HYP A 3 4.428 -0.325 -6.814 1.00 91.38 C +HETATM 15 O HYP A 3 4.156 0.688 -7.476 1.00 94.02 O +HETATM 16 CB HYP A 3 6.661 -0.040 -5.699 1.00 90.17 C +HETATM 17 CG HYP A 3 8.048 0.018 -6.297 1.00 88.03 C +HETATM 18 CD HYP A 3 7.756 0.221 -7.800 1.00 90.81 C +HETATM 19 OD1 HYP A 3 8.667 -1.213 -6.111 1.00 89.39 O +ATOM 20 N GLY A 4 3.545 -1.072 -6.199 1.00 92.82 N +ATOM 21 CA GLY A 4 2.174 -0.664 -6.152 1.00 91.68 C +ATOM 22 C GLY A 4 2.000 0.593 -5.320 1.00 92.02 C +ATOM 23 O GLY A 4 2.938 1.058 -4.666 1.00 92.22 O +ATOM 24 N PRO A 5 0.797 1.155 -5.329 1.00 93.71 N +ATOM 25 CA PRO A 5 0.537 2.367 -4.566 1.00 93.46 C +ATOM 26 C PRO A 5 0.485 2.088 -3.074 1.00 93.21 C +ATOM 27 O PRO A 5 0.347 0.949 -2.646 1.00 92.45 O +ATOM 28 CB PRO A 5 -0.817 2.828 -5.094 1.00 91.86 C +ATOM 29 CG PRO A 5 -1.481 1.561 -5.500 1.00 90.28 C +ATOM 30 CD PRO A 5 -0.381 0.702 -6.051 1.00 92.55 C +HETATM 31 N HYP A 6 0.613 3.165 -2.289 1.00 92.96 N +HETATM 32 CA HYP A 6 0.496 3.030 -0.866 1.00 93.99 C +HETATM 33 C HYP A 6 -0.867 2.487 -0.467 1.00 94.27 C +HETATM 34 O HYP A 6 -1.881 2.756 -1.149 1.00 93.98 O +HETATM 35 CB HYP A 6 0.632 4.517 -0.396 1.00 91.17 C +HETATM 36 CG HYP A 6 1.450 5.159 -1.474 1.00 90.17 C +HETATM 37 CD HYP A 6 0.908 4.504 -2.730 1.00 92.25 C +HETATM 38 OD1 HYP A 6 2.795 4.790 -1.300 1.00 89.48 O +ATOM 39 N GLY A 7 -0.870 1.690 0.565 1.00 93.02 N +ATOM 40 CA GLY A 7 -2.105 1.159 1.068 1.00 92.69 C +ATOM 41 C GLY A 7 -2.973 2.254 1.650 1.00 93.14 C +ATOM 42 O GLY A 7 -2.562 3.411 1.749 1.00 93.41 O +ATOM 43 N PRO A 8 -4.188 1.904 2.033 1.00 94.00 N +ATOM 44 CA PRO A 8 -5.094 2.889 2.598 1.00 93.79 C +ATOM 45 C PRO A 8 -4.681 3.275 4.009 1.00 94.11 C +ATOM 46 O PRO A 8 -3.916 2.578 4.669 1.00 93.07 O +ATOM 47 CB PRO A 8 -6.438 2.169 2.602 1.00 91.87 C +ATOM 48 CG PRO A 8 -6.068 0.735 2.744 1.00 90.22 C +ATOM 49 CD PRO A 8 -4.786 0.583 1.961 1.00 92.24 C +HETATM 50 N HYP A 9 -5.201 4.405 4.477 1.00 92.15 N +HETATM 51 CA HYP A 9 -4.964 4.832 5.806 1.00 92.85 C +HETATM 52 C HYP A 9 -5.566 3.844 6.790 1.00 92.65 C +HETATM 53 O HYP A 9 -6.572 3.181 6.477 1.00 92.94 O +HETATM 54 CB HYP A 9 -5.708 6.175 5.904 1.00 90.12 C +HETATM 55 CG HYP A 9 -5.744 6.663 4.506 1.00 88.64 C +HETATM 56 CD HYP A 9 -5.904 5.437 3.691 1.00 92.10 C +HETATM 57 OD1 HYP A 9 -4.516 7.266 4.179 1.00 88.02 O +ATOM 58 N GLY A 10 -4.997 3.690 7.922 1.00 92.30 N +ATOM 59 CA GLY A 10 -5.627 2.934 8.978 1.00 90.77 C +ATOM 60 C GLY A 10 -6.851 3.682 9.465 1.00 91.27 C +ATOM 61 O GLY A 10 -7.239 4.701 8.899 1.00 90.18 O +ATOM 62 N HIS A 11 -7.483 3.180 10.529 1.00 92.10 N +ATOM 63 CA HIS A 11 -8.676 3.855 11.027 1.00 93.33 C +ATOM 64 C HIS A 11 -8.403 5.329 11.299 1.00 93.35 C +ATOM 65 O HIS A 11 -9.260 6.165 11.057 1.00 90.38 O +ATOM 66 CB HIS A 11 -9.193 3.148 12.275 1.00 92.68 C +ATOM 67 CG HIS A 11 -9.858 1.844 11.957 1.00 88.89 C +ATOM 68 ND1 HIS A 11 -11.194 1.738 11.659 1.00 81.87 N +ATOM 69 CD2 HIS A 11 -9.349 0.606 11.868 1.00 79.84 C +ATOM 70 CE1 HIS A 11 -11.467 0.471 11.407 1.00 81.41 C +ATOM 71 NE2 HIS A 11 -10.373 -0.248 11.521 1.00 82.45 N +ATOM 72 N ARG A 12 -7.214 5.628 11.766 1.00 91.32 N +ATOM 73 CA ARG A 12 -6.714 6.994 11.773 1.00 92.37 C +ATOM 74 C ARG A 12 -5.196 6.948 11.756 1.00 92.45 C +ATOM 75 O ARG A 12 -4.525 7.649 12.500 1.00 88.69 O +ATOM 76 CB ARG A 12 -7.248 7.813 12.951 1.00 89.30 C +ATOM 77 CG ARG A 12 -8.108 8.963 12.481 1.00 84.06 C +ATOM 78 CD ARG A 12 -8.657 9.820 13.594 1.00 79.41 C +ATOM 79 NE ARG A 12 -7.690 10.808 14.047 1.00 74.65 N +ATOM 80 CZ ARG A 12 -6.986 10.723 15.175 1.00 71.41 C +ATOM 81 NH1 ARG A 12 -7.122 9.671 15.977 1.00 69.16 N +ATOM 82 NH2 ARG A 12 -6.150 11.681 15.500 1.00 65.70 N +ATOM 83 N GLY A 13 -4.673 6.097 10.865 1.00 94.74 N +ATOM 84 CA GLY A 13 -3.246 5.879 10.789 1.00 94.13 C +ATOM 85 C GLY A 13 -2.686 6.239 9.432 1.00 94.40 C +ATOM 86 O GLY A 13 -3.410 6.672 8.538 1.00 94.13 O +ATOM 87 N PRO A 14 -1.390 6.067 9.282 1.00 94.80 N +ATOM 88 CA PRO A 14 -0.730 6.390 8.024 1.00 94.57 C +ATOM 89 C PRO A 14 -1.101 5.407 6.928 1.00 94.72 C +ATOM 90 O PRO A 14 -1.628 4.332 7.189 1.00 94.12 O +ATOM 91 CB PRO A 14 0.750 6.306 8.364 1.00 93.05 C +ATOM 92 CG PRO A 14 0.805 5.298 9.461 1.00 91.70 C +ATOM 93 CD PRO A 14 -0.449 5.528 10.263 1.00 92.90 C +HETATM 94 N HYP A 15 -0.812 5.831 5.714 1.00 93.45 N +HETATM 95 CA HYP A 15 -0.989 4.926 4.590 1.00 93.08 C +HETATM 96 C HYP A 15 -0.169 3.678 4.743 1.00 94.19 C +HETATM 97 O HYP A 15 0.902 3.727 5.399 1.00 94.38 O +HETATM 98 CB HYP A 15 -0.513 5.796 3.416 1.00 91.02 C +HETATM 99 CG HYP A 15 -0.744 7.229 3.886 1.00 90.18 C +HETATM 100 CD HYP A 15 -0.406 7.154 5.362 1.00 92.94 C +HETATM 101 OD1 HYP A 15 -2.083 7.577 3.714 1.00 90.87 O +ATOM 102 N GLY A 16 -0.656 2.602 4.214 1.00 95.74 N +ATOM 103 CA GLY A 16 0.089 1.376 4.227 1.00 95.37 C +ATOM 104 C GLY A 16 1.304 1.473 3.330 1.00 95.74 C +ATOM 105 O GLY A 16 1.485 2.452 2.600 1.00 95.65 O +ATOM 106 N PRO A 17 2.150 0.446 3.374 1.00 94.43 N +ATOM 107 CA PRO A 17 3.342 0.448 2.549 1.00 94.07 C +ATOM 108 C PRO A 17 2.999 0.258 1.079 1.00 94.41 C +ATOM 109 O PRO A 17 1.915 -0.211 0.738 1.00 93.72 O +ATOM 110 CB PRO A 17 4.155 -0.717 3.093 1.00 92.74 C +ATOM 111 CG PRO A 17 3.127 -1.640 3.634 1.00 91.33 C +ATOM 112 CD PRO A 17 2.049 -0.754 4.186 1.00 93.03 C +HETATM 113 N HYP A 18 3.925 0.638 0.205 1.00 91.68 N +HETATM 114 CA HYP A 18 3.770 0.373 -1.184 1.00 91.77 C +HETATM 115 C HYP A 18 3.592 -1.086 -1.484 1.00 93.07 C +HETATM 116 O HYP A 18 4.124 -1.945 -0.748 1.00 92.49 O +HETATM 117 CB HYP A 18 5.091 0.890 -1.770 1.00 89.88 C +HETATM 118 CG HYP A 18 5.532 1.974 -0.795 1.00 89.02 C +HETATM 119 CD HYP A 18 5.111 1.381 0.538 1.00 92.00 C +HETATM 120 OD1 HYP A 18 4.790 3.158 -1.044 1.00 89.78 O +ATOM 121 N GLY A 19 2.837 -1.389 -2.482 1.00 90.73 N +ATOM 122 CA GLY A 19 2.667 -2.750 -2.901 1.00 90.18 C +ATOM 123 C GLY A 19 3.954 -3.307 -3.470 1.00 90.04 C +ATOM 124 O GLY A 19 4.920 -2.580 -3.693 1.00 90.95 O +ATOM 125 N PRO A 20 3.975 -4.608 -3.713 1.00 88.81 N +ATOM 126 CA PRO A 20 5.168 -5.230 -4.265 1.00 88.47 C +ATOM 127 C PRO A 20 5.374 -4.831 -5.712 1.00 88.01 C +ATOM 128 O PRO A 20 4.460 -4.360 -6.384 1.00 88.76 O +ATOM 129 CB PRO A 20 4.878 -6.723 -4.125 1.00 85.88 C +ATOM 130 CG PRO A 20 3.397 -6.801 -4.182 1.00 82.49 C +ATOM 131 CD PRO A 20 2.902 -5.561 -3.488 1.00 84.37 C +HETATM 132 N HYP A 21 6.610 -5.020 -6.173 1.00 90.55 N +HETATM 133 CA HYP A 21 6.895 -4.780 -7.560 1.00 90.17 C +HETATM 134 C HYP A 21 6.013 -5.584 -8.487 1.00 90.18 C +HETATM 135 O HYP A 21 5.676 -6.727 -8.172 1.00 93.32 O +HETATM 136 CB HYP A 21 8.357 -5.208 -7.717 1.00 88.75 C +HETATM 137 CG HYP A 21 8.944 -5.071 -6.346 1.00 85.68 C +HETATM 138 CD HYP A 21 7.804 -5.466 -5.440 1.00 90.62 C +HETATM 139 OD1 HYP A 21 9.241 -3.688 -6.100 1.00 87.93 O +ATOM 140 N GLY A 22 5.574 -4.986 -9.566 1.00 91.02 N +ATOM 141 CA GLY A 22 4.802 -5.682 -10.547 1.00 88.96 C +ATOM 142 C GLY A 22 5.687 -6.646 -11.325 1.00 88.63 C +ATOM 143 O GLY A 22 6.903 -6.665 -11.151 1.00 88.44 O +ATOM 144 N PRO A 23 5.098 -7.460 -12.196 1.00 92.82 N +ATOM 145 CA PRO A 23 5.876 -8.397 -12.991 1.00 92.66 C +ATOM 146 C PRO A 23 6.612 -7.666 -14.101 1.00 91.50 C +ATOM 147 O PRO A 23 6.010 -7.241 -15.080 1.00 88.99 O +ATOM 148 CB PRO A 23 4.824 -9.363 -13.526 1.00 89.88 C +ATOM 149 CG PRO A 23 3.588 -8.548 -13.592 1.00 86.71 C +ATOM 150 CD PRO A 23 3.676 -7.556 -12.449 1.00 90.17 C +HETATM 151 N HYP A 24 7.827 -7.347 -13.897 1.00 94.57 N +HETATM 152 CA HYP A 24 8.656 -6.227 -14.445 1.00 88.50 C +HETATM 153 C HYP A 24 8.289 -4.929 -14.338 1.00 93.67 C +HETATM 154 O HYP A 24 9.161 -3.968 -14.119 1.00 92.82 O +HETATM 155 CB HYP A 24 9.851 -6.758 -15.085 1.00 89.39 C +HETATM 156 CG HYP A 24 9.611 -8.264 -15.184 1.00 88.82 C +HETATM 157 CD HYP A 24 8.436 -8.575 -14.186 1.00 92.12 C +HETATM 158 OD1 HYP A 24 10.742 -8.985 -14.787 1.00 89.12 O +HETATM 159 OXT HYP A 24 7.543 -4.405 -15.299 1.00 89.91 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_188.txt b/protein_pdb_188.txt new file mode 100644 index 0000000000000000000000000000000000000000..f876cd9901c953080959da190f69a9d2d5dba7bc --- /dev/null +++ b/protein_pdb_188.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -29.511 5.394 -17.351 1.00 90.11 N +ATOM 2 CA GLY A 1 -28.619 6.519 -17.085 1.00 92.54 C +ATOM 3 C GLY A 1 -27.190 6.210 -17.470 1.00 92.73 C +ATOM 4 O GLY A 1 -26.876 5.074 -17.822 1.00 91.25 O +ATOM 5 N PRO A 2 -26.288 7.190 -17.405 1.00 93.21 N +ATOM 6 CA PRO A 2 -24.886 6.976 -17.759 1.00 94.49 C +ATOM 7 C PRO A 2 -24.177 6.090 -16.742 1.00 94.23 C +ATOM 8 O PRO A 2 -24.634 5.929 -15.615 1.00 93.64 O +ATOM 9 CB PRO A 2 -24.302 8.388 -17.783 1.00 93.14 C +ATOM 10 CG PRO A 2 -25.141 9.112 -16.792 1.00 89.96 C +ATOM 11 CD PRO A 2 -26.534 8.572 -17.007 1.00 91.19 C +HETATM 12 N HYP A 3 -23.152 5.516 -17.138 1.00 90.67 N +HETATM 13 CA HYP A 3 -22.266 4.696 -16.239 1.00 89.85 C +HETATM 14 C HYP A 3 -21.781 5.500 -15.062 1.00 88.15 C +HETATM 15 O HYP A 3 -21.567 6.723 -15.165 1.00 91.03 O +HETATM 16 CB HYP A 3 -21.125 4.296 -17.177 1.00 88.04 C +HETATM 17 CG HYP A 3 -21.737 4.333 -18.601 1.00 85.65 C +HETATM 18 CD HYP A 3 -22.661 5.572 -18.509 1.00 88.54 C +HETATM 19 OD1 HYP A 3 -22.511 3.201 -18.884 1.00 88.92 O +ATOM 20 N GLY A 4 -21.620 4.843 -13.901 1.00 93.70 N +ATOM 21 CA GLY A 4 -21.155 5.506 -12.704 1.00 93.35 C +ATOM 22 C GLY A 4 -19.692 5.896 -12.810 1.00 93.64 C +ATOM 23 O GLY A 4 -18.995 5.497 -13.752 1.00 94.01 O +ATOM 24 N PRO A 5 -19.199 6.676 -11.847 1.00 93.10 N +ATOM 25 CA PRO A 5 -17.806 7.109 -11.857 1.00 93.38 C +ATOM 26 C PRO A 5 -16.863 5.948 -11.547 1.00 93.41 C +ATOM 27 O PRO A 5 -17.280 4.930 -10.998 1.00 93.67 O +ATOM 28 CB PRO A 5 -17.757 8.185 -10.780 1.00 91.83 C +ATOM 29 CG PRO A 5 -18.808 7.736 -9.822 1.00 88.92 C +ATOM 30 CD PRO A 5 -19.924 7.212 -10.705 1.00 90.86 C +HETATM 31 N HYP A 6 -15.638 6.111 -11.930 1.00 89.49 N +HETATM 32 CA HYP A 6 -14.584 5.106 -11.527 1.00 91.25 C +HETATM 33 C HYP A 6 -14.489 4.934 -10.078 1.00 89.86 C +HETATM 34 O HYP A 6 -14.700 5.909 -9.295 1.00 90.14 O +HETATM 35 CB HYP A 6 -13.336 5.779 -12.153 1.00 85.93 C +HETATM 36 CG HYP A 6 -13.845 6.616 -13.335 1.00 85.01 C +HETATM 37 CD HYP A 6 -15.149 7.164 -12.773 1.00 89.45 C +HETATM 38 OD1 HYP A 6 -14.087 5.815 -14.463 1.00 86.96 O +ATOM 39 N GLY A 7 -14.200 3.700 -9.586 1.00 94.61 N +ATOM 40 CA GLY A 7 -14.084 3.385 -8.180 1.00 94.06 C +ATOM 41 C GLY A 7 -12.868 4.041 -7.554 1.00 94.42 C +ATOM 42 O GLY A 7 -12.030 4.624 -8.249 1.00 94.39 O +ATOM 43 N PRO A 8 -12.740 3.935 -6.222 1.00 94.12 N +ATOM 44 CA PRO A 8 -11.606 4.525 -5.524 1.00 94.16 C +ATOM 45 C PRO A 8 -10.321 3.750 -5.781 1.00 94.01 C +ATOM 46 O PRO A 8 -10.355 2.608 -6.231 1.00 93.35 O +ATOM 47 CB PRO A 8 -12.023 4.455 -4.062 1.00 92.86 C +ATOM 48 CG PRO A 8 -12.871 3.225 -4.017 1.00 92.11 C +ATOM 49 CD PRO A 8 -13.658 3.277 -5.305 1.00 93.64 C +HETATM 50 N HYP A 9 -9.187 4.343 -5.506 1.00 91.07 N +HETATM 51 CA HYP A 9 -7.909 3.665 -5.584 1.00 90.99 C +HETATM 52 C HYP A 9 -7.822 2.495 -4.690 1.00 90.45 C +HETATM 53 O HYP A 9 -8.436 2.493 -3.596 1.00 89.38 O +HETATM 54 CB HYP A 9 -6.910 4.785 -5.174 1.00 88.13 C +HETATM 55 CG HYP A 9 -7.613 6.064 -5.518 1.00 86.55 C +HETATM 56 CD HYP A 9 -9.031 5.745 -5.212 1.00 90.11 C +HETATM 57 OD1 HYP A 9 -7.460 6.351 -6.906 1.00 86.33 O +ATOM 58 N GLY A 10 -7.049 1.467 -5.018 1.00 92.36 N +ATOM 59 CA GLY A 10 -6.879 0.284 -4.212 1.00 90.97 C +ATOM 60 C GLY A 10 -6.214 0.599 -2.879 1.00 91.45 C +ATOM 61 O GLY A 10 -5.686 1.697 -2.670 1.00 90.21 O +ATOM 62 N MET A 11 -6.227 -0.379 -1.974 1.00 92.09 N +ATOM 63 CA MET A 11 -5.605 -0.210 -0.665 1.00 92.51 C +ATOM 64 C MET A 11 -4.102 -0.047 -0.800 1.00 92.15 C +ATOM 65 O MET A 11 -3.472 -0.645 -1.678 1.00 89.27 O +ATOM 66 CB MET A 11 -5.900 -1.412 0.228 1.00 89.61 C +ATOM 67 CG MET A 11 -7.358 -1.578 0.585 1.00 85.19 C +ATOM 68 SD MET A 11 -7.606 -2.939 1.727 1.00 81.86 S +ATOM 69 CE MET A 11 -7.194 -4.325 0.690 1.00 75.45 C +ATOM 70 N MET A 12 -3.511 0.758 0.091 1.00 89.18 N +ATOM 71 CA MET A 12 -2.067 0.930 0.108 1.00 89.46 C +ATOM 72 C MET A 12 -1.414 -0.400 0.455 1.00 90.23 C +ATOM 73 O MET A 12 -1.927 -1.160 1.276 1.00 85.21 O +ATOM 74 CB MET A 12 -1.679 2.010 1.131 1.00 85.17 C +ATOM 75 CG MET A 12 -0.205 2.352 1.129 1.00 79.14 C +ATOM 76 SD MET A 12 0.180 3.724 2.235 1.00 75.29 S +ATOM 77 CE MET A 12 -0.519 5.081 1.328 1.00 69.25 C +ATOM 78 N GLY A 13 -0.290 -0.666 -0.196 1.00 90.96 N +ATOM 79 CA GLY A 13 0.423 -1.908 0.051 1.00 89.79 C +ATOM 80 C GLY A 13 1.005 -1.990 1.449 1.00 90.54 C +ATOM 81 O GLY A 13 1.010 -1.001 2.191 1.00 91.74 O +ATOM 82 N PRO A 14 1.514 -3.172 1.843 1.00 89.53 N +ATOM 83 CA PRO A 14 2.085 -3.350 3.175 1.00 91.67 C +ATOM 84 C PRO A 14 3.398 -2.589 3.319 1.00 91.61 C +ATOM 85 O PRO A 14 4.027 -2.235 2.330 1.00 91.78 O +ATOM 86 CB PRO A 14 2.289 -4.861 3.276 1.00 90.78 C +ATOM 87 CG PRO A 14 2.534 -5.274 1.865 1.00 88.79 C +ATOM 88 CD PRO A 14 1.573 -4.414 1.068 1.00 89.35 C +HETATM 89 N HYP A 15 3.829 -2.365 4.571 1.00 87.37 N +HETATM 90 CA HYP A 15 5.086 -1.736 4.839 1.00 84.56 C +HETATM 91 C HYP A 15 6.266 -2.537 4.268 1.00 87.48 C +HETATM 92 O HYP A 15 6.161 -3.781 4.170 1.00 86.96 O +HETATM 93 CB HYP A 15 5.133 -1.764 6.387 1.00 82.99 C +HETATM 94 CG HYP A 15 3.664 -1.751 6.767 1.00 82.15 C +HETATM 95 CD HYP A 15 3.058 -2.634 5.734 1.00 87.07 C +HETATM 96 OD1 HYP A 15 3.134 -0.457 6.675 1.00 85.17 O +ATOM 97 N GLY A 16 7.285 -1.875 3.849 1.00 93.63 N +ATOM 98 CA GLY A 16 8.441 -2.545 3.326 1.00 92.45 C +ATOM 99 C GLY A 16 9.171 -3.306 4.427 1.00 92.74 C +ATOM 100 O GLY A 16 8.838 -3.182 5.604 1.00 93.92 O +ATOM 101 N PRO A 17 10.178 -4.117 4.042 1.00 85.51 N +ATOM 102 CA PRO A 17 10.931 -4.887 5.028 1.00 87.65 C +ATOM 103 C PRO A 17 11.801 -3.984 5.894 1.00 87.53 C +ATOM 104 O PRO A 17 12.105 -2.861 5.518 1.00 89.58 O +ATOM 105 CB PRO A 17 11.765 -5.836 4.170 1.00 86.88 C +ATOM 106 CG PRO A 17 11.976 -5.059 2.917 1.00 83.61 C +ATOM 107 CD PRO A 17 10.658 -4.362 2.679 1.00 83.35 C +HETATM 108 N HYP A 18 12.217 -4.473 7.058 1.00 86.89 N +HETATM 109 CA HYP A 18 13.126 -3.762 7.908 1.00 91.06 C +HETATM 110 C HYP A 18 14.445 -3.466 7.230 1.00 86.27 C +HETATM 111 O HYP A 18 14.936 -4.286 6.411 1.00 89.67 O +HETATM 112 CB HYP A 18 13.304 -4.738 9.079 1.00 85.21 C +HETATM 113 CG HYP A 18 12.021 -5.547 9.130 1.00 83.08 C +HETATM 114 CD HYP A 18 11.701 -5.695 7.664 1.00 86.89 C +HETATM 115 OD1 HYP A 18 10.979 -4.831 9.764 1.00 88.70 O +ATOM 116 N GLY A 19 15.018 -2.292 7.480 1.00 91.14 N +ATOM 117 CA GLY A 19 16.270 -1.897 6.904 1.00 90.47 C +ATOM 118 C GLY A 19 17.412 -2.752 7.446 1.00 91.04 C +ATOM 119 O GLY A 19 17.225 -3.529 8.384 1.00 91.25 O +ATOM 120 N PRO A 20 18.608 -2.601 6.873 1.00 84.90 N +ATOM 121 CA PRO A 20 19.753 -3.383 7.322 1.00 85.47 C +ATOM 122 C PRO A 20 20.242 -2.904 8.681 1.00 85.24 C +ATOM 123 O PRO A 20 19.956 -1.786 9.102 1.00 85.76 O +ATOM 124 CB PRO A 20 20.782 -3.143 6.224 1.00 82.86 C +ATOM 125 CG PRO A 20 20.453 -1.773 5.742 1.00 79.75 C +ATOM 126 CD PRO A 20 18.941 -1.726 5.752 1.00 79.95 C +HETATM 127 N HYP A 21 20.996 -3.744 9.396 1.00 92.36 N +HETATM 128 CA HYP A 21 21.608 -3.357 10.651 1.00 89.69 C +HETATM 129 C HYP A 21 22.573 -2.190 10.518 1.00 88.25 C +HETATM 130 O HYP A 21 23.232 -2.066 9.479 1.00 91.68 O +HETATM 131 CB HYP A 21 22.394 -4.647 11.053 1.00 88.24 C +HETATM 132 CG HYP A 21 21.643 -5.796 10.381 1.00 83.35 C +HETATM 133 CD HYP A 21 21.197 -5.173 9.074 1.00 87.49 C +HETATM 134 OD1 HYP A 21 20.493 -6.175 11.125 1.00 90.18 O +ATOM 135 N GLY A 22 22.644 -1.318 11.484 1.00 91.74 N +ATOM 136 CA GLY A 22 23.527 -0.184 11.467 1.00 91.65 C +ATOM 137 C GLY A 22 24.982 -0.628 11.529 1.00 92.34 C +ATOM 138 O GLY A 22 25.269 -1.811 11.716 1.00 91.46 O +ATOM 139 N PRO A 23 25.922 0.324 11.415 1.00 90.30 N +ATOM 140 CA PRO A 23 27.340 -0.029 11.461 1.00 91.25 C +ATOM 141 C PRO A 23 27.733 -0.473 12.861 1.00 90.40 C +ATOM 142 O PRO A 23 27.113 -0.090 13.848 1.00 87.86 O +ATOM 143 CB PRO A 23 28.040 1.260 11.041 1.00 87.77 C +ATOM 144 CG PRO A 23 27.095 2.319 11.474 1.00 84.68 C +ATOM 145 CD PRO A 23 25.724 1.751 11.195 1.00 86.32 C +HETATM 146 N HYP A 24 28.814 -1.233 13.024 1.00 91.17 N +HETATM 147 CA HYP A 24 29.209 -1.719 14.325 1.00 90.63 C +HETATM 148 C HYP A 24 29.462 -0.579 15.268 1.00 89.85 C +HETATM 149 O HYP A 24 30.294 0.289 14.960 1.00 89.24 O +HETATM 150 CB HYP A 24 30.516 -2.511 14.080 1.00 89.64 C +HETATM 151 CG HYP A 24 30.514 -2.817 12.623 1.00 88.88 C +HETATM 152 CD HYP A 24 29.725 -1.664 11.987 1.00 90.18 C +HETATM 153 OD1 HYP A 24 29.826 -4.025 12.396 1.00 87.79 O +HETATM 154 OXT HYP A 24 28.760 -0.585 16.291 1.00 86.84 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_189.txt b/protein_pdb_189.txt new file mode 100644 index 0000000000000000000000000000000000000000..f3ff8cfc70c83fa2516554996358db1b11df867b --- /dev/null +++ b/protein_pdb_189.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -5.076 6.724 0.020 1.00 73.40 N +ATOM 2 CA GLY A 1 -3.795 6.198 -0.414 1.00 76.52 C +ATOM 3 C GLY A 1 -3.961 4.909 -1.186 1.00 77.74 C +ATOM 4 O GLY A 1 -5.072 4.389 -1.306 1.00 73.73 O +ATOM 5 N PRO A 2 -2.870 4.379 -1.707 1.00 76.22 N +ATOM 6 CA PRO A 2 -2.926 3.141 -2.465 1.00 78.58 C +ATOM 7 C PRO A 2 -3.166 1.946 -1.553 1.00 78.70 C +ATOM 8 O PRO A 2 -2.991 2.029 -0.345 1.00 75.48 O +ATOM 9 CB PRO A 2 -1.547 3.069 -3.117 1.00 75.13 C +ATOM 10 CG PRO A 2 -0.664 3.773 -2.149 1.00 71.48 C +ATOM 11 CD PRO A 2 -1.505 4.884 -1.587 1.00 71.52 C +HETATM 12 N HYP A 3 -3.569 0.834 -2.100 1.00 77.97 N +HETATM 13 CA HYP A 3 -3.697 -0.384 -1.390 1.00 78.26 C +HETATM 14 C HYP A 3 -2.365 -0.776 -0.713 1.00 78.48 C +HETATM 15 O HYP A 3 -1.268 -0.428 -1.209 1.00 80.08 O +HETATM 16 CB HYP A 3 -4.087 -1.352 -2.524 1.00 75.36 C +HETATM 17 CG HYP A 3 -4.880 -0.483 -3.456 1.00 71.32 C +HETATM 18 CD HYP A 3 -4.026 0.760 -3.468 1.00 75.51 C +HETATM 19 OD1 HYP A 3 -6.145 -0.196 -2.923 1.00 76.02 O +ATOM 20 N GLY A 4 -2.492 -1.321 0.431 1.00 82.42 N +ATOM 21 CA GLY A 4 -1.324 -1.718 1.166 1.00 81.17 C +ATOM 22 C GLY A 4 -0.560 -2.815 0.443 1.00 80.54 C +ATOM 23 O GLY A 4 -1.004 -3.327 -0.586 1.00 77.59 O +ATOM 24 N PRO A 5 0.587 -3.155 0.977 1.00 81.24 N +ATOM 25 CA PRO A 5 1.367 -4.220 0.366 1.00 80.79 C +ATOM 26 C PRO A 5 0.651 -5.551 0.511 1.00 81.00 C +ATOM 27 O PRO A 5 -0.205 -5.720 1.371 1.00 78.53 O +ATOM 28 CB PRO A 5 2.673 -4.196 1.149 1.00 77.71 C +ATOM 29 CG PRO A 5 2.283 -3.653 2.474 1.00 76.58 C +ATOM 30 CD PRO A 5 1.201 -2.652 2.195 1.00 78.23 C +HETATM 31 N HYP A 6 1.038 -6.484 -0.322 1.00 79.88 N +HETATM 32 CA HYP A 6 0.499 -7.794 -0.189 1.00 82.06 C +HETATM 33 C HYP A 6 0.815 -8.421 1.150 1.00 81.15 C +HETATM 34 O HYP A 6 1.882 -8.144 1.727 1.00 80.11 O +HETATM 35 CB HYP A 6 1.199 -8.549 -1.332 1.00 78.29 C +HETATM 36 CG HYP A 6 1.437 -7.476 -2.381 1.00 75.99 C +HETATM 37 CD HYP A 6 1.802 -6.305 -1.534 1.00 79.79 C +HETATM 38 OD1 HYP A 6 0.274 -7.192 -3.114 1.00 75.70 O +ATOM 39 N GLY A 7 -0.160 -9.068 1.707 1.00 79.32 N +ATOM 40 CA GLY A 7 0.031 -9.723 2.977 1.00 77.96 C +ATOM 41 C GLY A 7 0.953 -10.921 2.830 1.00 78.53 C +ATOM 42 O GLY A 7 1.432 -11.231 1.738 1.00 76.80 O +ATOM 43 N PRO A 8 1.181 -11.600 3.928 1.00 75.94 N +ATOM 44 CA PRO A 8 1.977 -12.817 3.858 1.00 76.87 C +ATOM 45 C PRO A 8 1.242 -13.867 3.030 1.00 76.63 C +ATOM 46 O PRO A 8 0.032 -13.771 2.815 1.00 74.96 O +ATOM 47 CB PRO A 8 2.134 -13.237 5.311 1.00 74.37 C +ATOM 48 CG PRO A 8 1.003 -12.595 6.009 1.00 74.44 C +ATOM 49 CD PRO A 8 0.695 -11.327 5.269 1.00 75.33 C +HETATM 50 N HYP A 9 2.002 -14.874 2.563 1.00 75.57 N +HETATM 51 CA HYP A 9 1.384 -15.912 1.833 1.00 79.29 C +HETATM 52 C HYP A 9 0.169 -16.431 2.413 1.00 72.35 C +HETATM 53 O HYP A 9 0.134 -16.677 3.646 1.00 72.86 O +HETATM 54 CB HYP A 9 2.550 -16.877 1.587 1.00 73.35 C +HETATM 55 CG HYP A 9 3.779 -15.967 1.552 1.00 71.55 C +HETATM 56 CD HYP A 9 3.440 -14.938 2.575 1.00 73.49 C +HETATM 57 OD1 HYP A 9 3.931 -15.320 0.322 1.00 70.97 O +ATOM 58 N GLY A 10 -0.979 -16.441 1.656 1.00 73.64 N +ATOM 59 CA GLY A 10 -2.268 -16.933 2.075 1.00 71.38 C +ATOM 60 C GLY A 10 -3.137 -15.928 2.808 1.00 71.30 C +ATOM 61 O GLY A 10 -4.272 -16.248 3.150 1.00 68.25 O +ATOM 62 N ILE A 11 -2.652 -14.719 3.067 1.00 79.49 N +ATOM 63 CA ILE A 11 -3.401 -13.696 3.779 1.00 80.37 C +ATOM 64 C ILE A 11 -3.293 -12.398 2.993 1.00 78.79 C +ATOM 65 O ILE A 11 -2.206 -11.871 2.804 1.00 76.50 O +ATOM 66 CB ILE A 11 -2.854 -13.478 5.205 1.00 79.00 C +ATOM 67 CG1 ILE A 11 -2.886 -14.790 6.000 1.00 75.38 C +ATOM 68 CG2 ILE A 11 -3.663 -12.393 5.915 1.00 72.44 C +ATOM 69 CD1 ILE A 11 -2.188 -14.689 7.343 1.00 68.23 C +ATOM 70 N ALA A 12 -4.426 -11.877 2.527 1.00 72.18 N +ATOM 71 CA ALA A 12 -4.413 -10.618 1.805 1.00 72.02 C +ATOM 72 C ALA A 12 -4.013 -9.490 2.733 1.00 72.35 C +ATOM 73 O ALA A 12 -4.413 -9.452 3.898 1.00 66.81 O +ATOM 74 CB ALA A 12 -5.792 -10.338 1.217 1.00 67.81 C +ATOM 75 N GLY A 13 -3.222 -8.557 2.212 1.00 76.09 N +ATOM 76 CA GLY A 13 -2.835 -7.409 3.004 1.00 74.26 C +ATOM 77 C GLY A 13 -3.981 -6.440 3.173 1.00 74.93 C +ATOM 78 O GLY A 13 -4.933 -6.440 2.384 1.00 73.51 O +ATOM 79 N PRO A 14 -3.924 -5.607 4.192 1.00 73.52 N +ATOM 80 CA PRO A 14 -4.966 -4.602 4.385 1.00 74.05 C +ATOM 81 C PRO A 14 -4.756 -3.441 3.421 1.00 74.64 C +ATOM 82 O PRO A 14 -3.692 -3.284 2.836 1.00 72.33 O +ATOM 83 CB PRO A 14 -4.750 -4.154 5.826 1.00 71.67 C +ATOM 84 CG PRO A 14 -3.285 -4.307 6.022 1.00 69.85 C +ATOM 85 CD PRO A 14 -2.901 -5.538 5.240 1.00 67.74 C +HETATM 86 N HYP A 15 -5.769 -2.631 3.251 1.00 73.37 N +HETATM 87 CA HYP A 15 -5.639 -1.416 2.517 1.00 70.58 C +HETATM 88 C HYP A 15 -4.550 -0.534 3.087 1.00 74.47 C +HETATM 89 O HYP A 15 -4.318 -0.603 4.317 1.00 75.69 O +HETATM 90 CB HYP A 15 -7.028 -0.811 2.594 1.00 69.37 C +HETATM 91 CG HYP A 15 -7.902 -2.043 2.675 1.00 69.88 C +HETATM 92 CD HYP A 15 -7.131 -2.914 3.598 1.00 78.24 C +HETATM 93 OD1 HYP A 15 -8.051 -2.652 1.419 1.00 73.63 O +ATOM 94 N GLY A 16 -3.920 0.191 2.274 1.00 74.91 N +ATOM 95 CA GLY A 16 -2.882 1.066 2.742 1.00 72.56 C +ATOM 96 C GLY A 16 -3.442 2.216 3.554 1.00 72.12 C +ATOM 97 O GLY A 16 -4.658 2.406 3.633 1.00 72.53 O +ATOM 98 N PRO A 17 -2.554 3.006 4.152 1.00 70.00 N +ATOM 99 CA PRO A 17 -3.011 4.158 4.917 1.00 71.18 C +ATOM 100 C PRO A 17 -3.592 5.218 3.995 1.00 70.63 C +ATOM 101 O PRO A 17 -3.362 5.205 2.793 1.00 71.67 O +ATOM 102 CB PRO A 17 -1.737 4.651 5.602 1.00 70.01 C +ATOM 103 CG PRO A 17 -0.643 4.190 4.714 1.00 69.53 C +ATOM 104 CD PRO A 17 -1.104 2.883 4.136 1.00 67.17 C +HETATM 105 N HYP A 18 -4.333 6.135 4.536 1.00 72.76 N +HETATM 106 CA HYP A 18 -4.845 7.234 3.801 1.00 77.99 C +HETATM 107 C HYP A 18 -3.760 8.003 3.089 1.00 69.66 C +HETATM 108 O HYP A 18 -2.627 8.083 3.603 1.00 75.75 O +HETATM 109 CB HYP A 18 -5.554 8.014 4.856 1.00 68.74 C +HETATM 110 CG HYP A 18 -6.000 6.971 5.864 1.00 69.37 C +HETATM 111 CD HYP A 18 -4.831 6.051 5.888 1.00 73.71 C +HETATM 112 OD1 HYP A 18 -7.148 6.271 5.424 1.00 73.58 O +ATOM 113 N GLY A 19 -4.068 8.508 1.932 1.00 76.01 N +ATOM 114 CA GLY A 19 -3.118 9.284 1.179 1.00 74.17 C +ATOM 115 C GLY A 19 -2.742 10.557 1.909 1.00 74.53 C +ATOM 116 O GLY A 19 -3.324 10.903 2.933 1.00 73.74 O +ATOM 117 N PRO A 20 -1.762 11.269 1.367 1.00 66.91 N +ATOM 118 CA PRO A 20 -1.329 12.506 2.004 1.00 69.78 C +ATOM 119 C PRO A 20 -2.400 13.580 1.896 1.00 69.23 C +ATOM 120 O PRO A 20 -3.280 13.512 1.038 1.00 69.20 O +ATOM 121 CB PRO A 20 -0.074 12.881 1.219 1.00 67.70 C +ATOM 122 CG PRO A 20 -0.285 12.261 -0.115 1.00 64.91 C +ATOM 123 CD PRO A 20 -1.022 10.979 0.148 1.00 63.43 C +HETATM 124 N HYP A 21 -2.318 14.575 2.721 1.00 72.68 N +HETATM 125 CA HYP A 21 -3.201 15.683 2.664 1.00 73.15 C +HETATM 126 C HYP A 21 -3.111 16.440 1.361 1.00 70.29 C +HETATM 127 O HYP A 21 -2.011 16.518 0.762 1.00 75.10 O +HETATM 128 CB HYP A 21 -2.647 16.564 3.814 1.00 70.14 C +HETATM 129 CG HYP A 21 -1.979 15.593 4.777 1.00 68.71 C +HETATM 130 CD HYP A 21 -1.378 14.581 3.848 1.00 74.48 C +HETATM 131 OD1 HYP A 21 -2.943 14.930 5.591 1.00 74.70 O +ATOM 132 N GLY A 22 -4.206 16.889 0.851 1.00 67.54 N +ATOM 133 CA GLY A 22 -4.206 17.690 -0.342 1.00 66.46 C +ATOM 134 C GLY A 22 -3.525 19.028 -0.100 1.00 66.24 C +ATOM 135 O GLY A 22 -3.200 19.374 1.035 1.00 65.30 O +ATOM 136 N PRO A 23 -3.330 19.799 -1.156 1.00 71.34 N +ATOM 137 CA PRO A 23 -2.709 21.106 -0.989 1.00 75.06 C +ATOM 138 C PRO A 23 -3.651 22.055 -0.281 1.00 74.14 C +ATOM 139 O PRO A 23 -4.867 21.886 -0.308 1.00 71.81 O +ATOM 140 CB PRO A 23 -2.416 21.543 -2.413 1.00 70.28 C +ATOM 141 CG PRO A 23 -3.428 20.824 -3.232 1.00 65.06 C +ATOM 142 CD PRO A 23 -3.656 19.511 -2.541 1.00 65.80 C +HETATM 143 N HYP A 24 -3.107 23.105 0.333 1.00 75.76 N +HETATM 144 CA HYP A 24 -4.004 24.056 0.951 1.00 72.93 C +HETATM 145 C HYP A 24 -4.773 24.756 -0.151 1.00 69.26 C +HETATM 146 O HYP A 24 -4.353 25.721 -0.751 1.00 73.67 O +HETATM 147 CB HYP A 24 -3.032 25.069 1.611 1.00 69.76 C +HETATM 148 CG HYP A 24 -1.737 24.346 1.799 1.00 69.58 C +HETATM 149 CD HYP A 24 -1.691 23.377 0.601 1.00 74.53 C +HETATM 150 OD1 HYP A 24 -1.778 23.608 3.009 1.00 72.28 O +HETATM 151 OXT HYP A 24 -5.791 24.144 -0.423 1.00 72.64 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_19.txt b/protein_pdb_19.txt new file mode 100644 index 0000000000000000000000000000000000000000..15abf9bb2656334ac3372bba16af593a45eaeb96 --- /dev/null +++ b/protein_pdb_19.txt @@ -0,0 +1,135 @@ +ATOM 1 N GLY A 1 -1.863 -8.269 3.536 1.00 88.21 N +ATOM 2 CA GLY A 1 -2.305 -8.068 2.198 1.00 89.20 C +ATOM 3 C GLY A 1 -1.147 -7.879 1.240 1.00 89.40 C +ATOM 4 O GLY A 1 -0.002 -7.688 1.657 1.00 87.75 O +ATOM 5 N PRO A 2 -1.352 -7.820 -0.205 1.00 89.61 N +ATOM 6 CA PRO A 2 -0.311 -7.677 -1.215 1.00 89.57 C +ATOM 7 C PRO A 2 0.114 -6.223 -1.363 1.00 89.34 C +ATOM 8 O PRO A 2 -0.555 -5.307 -0.904 1.00 87.63 O +ATOM 9 CB PRO A 2 -0.983 -8.192 -2.483 1.00 87.15 C +ATOM 10 CG PRO A 2 -2.421 -7.888 -2.267 1.00 83.77 C +ATOM 11 CD PRO A 2 -2.666 -8.070 -0.792 1.00 85.37 C +HETATM 12 N HYP A 3 1.245 -5.982 -2.062 1.00 89.68 N +HETATM 13 CA HYP A 3 1.677 -4.686 -2.338 1.00 92.57 C +HETATM 14 C HYP A 3 0.672 -3.910 -3.174 1.00 94.16 C +HETATM 15 O HYP A 3 -0.085 -4.512 -3.958 1.00 91.40 O +HETATM 16 CB HYP A 3 2.986 -4.975 -3.123 1.00 87.83 C +HETATM 17 CG HYP A 3 3.474 -6.256 -2.547 1.00 85.60 C +HETATM 18 CD HYP A 3 2.186 -7.020 -2.384 1.00 86.41 C +HETATM 19 OD1 HYP A 3 4.091 -6.052 -1.288 1.00 88.37 O +ATOM 20 N GLY A 4 0.607 -2.658 -2.929 1.00 92.64 N +ATOM 21 CA GLY A 4 -0.286 -1.808 -3.662 1.00 91.69 C +ATOM 22 C GLY A 4 0.093 -1.765 -5.132 1.00 91.80 C +ATOM 23 O GLY A 4 1.141 -2.262 -5.535 1.00 91.36 O +ATOM 24 N PRO A 5 -0.757 -1.194 -5.924 1.00 90.64 N +ATOM 25 CA PRO A 5 -0.454 -1.096 -7.347 1.00 89.67 C +ATOM 26 C PRO A 5 0.683 -0.126 -7.584 1.00 89.83 C +ATOM 27 O PRO A 5 0.967 0.738 -6.758 1.00 88.72 O +ATOM 28 CB PRO A 5 -1.764 -0.584 -7.946 1.00 87.81 C +ATOM 29 CG PRO A 5 -2.400 0.164 -6.830 1.00 85.42 C +ATOM 30 CD PRO A 5 -2.026 -0.576 -5.582 1.00 87.27 C +HETATM 31 N HYP A 6 1.337 -0.248 -8.716 1.00 90.07 N +HETATM 32 CA HYP A 6 2.341 0.652 -9.060 1.00 92.25 C +HETATM 33 C HYP A 6 1.891 2.106 -9.157 1.00 90.85 C +HETATM 34 O HYP A 6 0.748 2.364 -9.553 1.00 90.76 O +HETATM 35 CB HYP A 6 2.824 0.096 -10.435 1.00 88.41 C +HETATM 36 CG HYP A 6 2.577 -1.374 -10.307 1.00 88.19 C +HETATM 37 CD HYP A 6 1.281 -1.407 -9.566 1.00 89.46 C +HETATM 38 OD1 HYP A 6 3.561 -2.028 -9.535 1.00 88.28 O +ATOM 39 N GLY A 7 2.702 2.957 -8.655 1.00 92.13 N +ATOM 40 CA GLY A 7 2.416 4.363 -8.732 1.00 91.15 C +ATOM 41 C GLY A 7 2.577 4.855 -10.154 1.00 91.12 C +ATOM 42 O GLY A 7 2.805 4.071 -11.078 1.00 90.36 O +ATOM 43 N PRO A 8 2.478 6.144 -10.344 1.00 91.30 N +ATOM 44 CA PRO A 8 2.671 6.692 -11.681 1.00 91.17 C +ATOM 45 C PRO A 8 4.112 6.482 -12.126 1.00 91.72 C +ATOM 46 O PRO A 8 4.990 6.184 -11.315 1.00 90.55 O +ATOM 47 CB PRO A 8 2.328 8.169 -11.516 1.00 89.10 C +ATOM 48 CG PRO A 8 2.522 8.438 -10.077 1.00 87.65 C +ATOM 49 CD PRO A 8 2.208 7.161 -9.348 1.00 88.60 C +HETATM 50 N HYP A 9 4.350 6.590 -13.417 1.00 90.19 N +HETATM 51 CA HYP A 9 5.636 6.425 -13.932 1.00 90.67 C +HETATM 52 C HYP A 9 6.715 6.886 -13.086 1.00 90.77 C +HETATM 53 O HYP A 9 6.665 7.990 -12.514 1.00 87.46 O +HETATM 54 CB HYP A 9 5.552 6.983 -15.335 1.00 89.68 C +HETATM 55 CG HYP A 9 4.112 6.706 -15.668 1.00 88.78 C +HETATM 56 CD HYP A 9 3.403 6.903 -14.354 1.00 89.06 C +HETATM 57 OD1 HYP A 9 3.858 5.403 -16.089 1.00 85.89 O +ATOM 58 N GLY A 10 7.690 5.974 -12.828 1.00 91.30 N +ATOM 59 CA GLY A 10 8.858 6.232 -12.033 1.00 90.78 C +ATOM 60 C GLY A 10 8.652 6.152 -10.534 1.00 91.12 C +ATOM 61 O GLY A 10 9.561 6.498 -9.776 1.00 88.87 O +ATOM 62 N SER A 11 7.516 5.688 -10.070 1.00 92.90 N +ATOM 63 CA SER A 11 7.229 5.655 -8.638 1.00 92.05 C +ATOM 64 C SER A 11 6.348 4.470 -8.289 1.00 92.02 C +ATOM 65 O SER A 11 5.169 4.465 -8.584 1.00 89.88 O +ATOM 66 CB SER A 11 6.539 6.960 -8.232 1.00 88.73 C +ATOM 67 OG SER A 11 6.268 6.981 -6.864 1.00 80.47 O +HETATM 68 N HYP A 12 6.877 3.447 -7.569 1.00 93.02 N +HETATM 69 CA HYP A 12 6.096 2.331 -7.153 1.00 93.72 C +HETATM 70 C HYP A 12 5.016 2.790 -6.136 1.00 94.72 C +HETATM 71 O HYP A 12 5.242 3.711 -5.332 1.00 90.94 O +HETATM 72 CB HYP A 12 7.062 1.401 -6.437 1.00 89.79 C +HETATM 73 CG HYP A 12 8.329 1.732 -7.071 1.00 89.38 C +HETATM 74 CD HYP A 12 8.239 3.192 -7.259 1.00 91.08 C +HETATM 75 OD1 HYP A 12 8.484 1.080 -8.311 1.00 87.31 O +ATOM 76 N GLY A 13 3.918 2.104 -6.200 1.00 93.04 N +ATOM 77 CA GLY A 13 2.895 2.355 -5.218 1.00 92.17 C +ATOM 78 C GLY A 13 3.310 1.810 -3.868 1.00 92.92 C +ATOM 79 O GLY A 13 4.231 0.998 -3.758 1.00 92.45 O +ATOM 80 N PRO A 14 2.632 2.237 -2.817 1.00 92.63 N +ATOM 81 CA PRO A 14 2.951 1.721 -1.500 1.00 92.59 C +ATOM 82 C PRO A 14 2.428 0.298 -1.353 1.00 93.00 C +ATOM 83 O PRO A 14 1.526 -0.122 -2.066 1.00 91.14 O +ATOM 84 CB PRO A 14 2.224 2.681 -0.559 1.00 90.67 C +ATOM 85 CG PRO A 14 1.052 3.139 -1.363 1.00 89.30 C +ATOM 86 CD PRO A 14 1.554 3.219 -2.784 1.00 90.91 C +HETATM 87 N HYP A 15 2.977 -0.456 -0.459 1.00 92.38 N +HETATM 88 CA HYP A 15 2.467 -1.736 -0.117 1.00 93.18 C +HETATM 89 C HYP A 15 1.006 -1.661 0.293 1.00 93.25 C +HETATM 90 O HYP A 15 0.585 -0.656 0.894 1.00 91.27 O +HETATM 91 CB HYP A 15 3.402 -2.176 0.987 1.00 90.86 C +HETATM 92 CG HYP A 15 4.688 -1.512 0.637 1.00 88.87 C +HETATM 93 CD HYP A 15 4.229 -0.150 0.159 1.00 90.84 C +HETATM 94 OD1 HYP A 15 5.337 -2.189 -0.429 1.00 87.91 O +ATOM 95 N GLY A 16 0.274 -2.692 -0.027 1.00 91.71 N +ATOM 96 CA GLY A 16 -1.097 -2.782 0.375 1.00 91.36 C +ATOM 97 C GLY A 16 -1.208 -2.930 1.883 1.00 91.71 C +ATOM 98 O GLY A 16 -0.206 -3.097 2.581 1.00 91.30 O +ATOM 99 N PRO A 17 -2.417 -2.889 2.381 1.00 90.83 N +ATOM 100 CA PRO A 17 -2.601 -3.038 3.815 1.00 90.78 C +ATOM 101 C PRO A 17 -2.306 -4.468 4.251 1.00 90.74 C +ATOM 102 O PRO A 17 -2.335 -5.391 3.448 1.00 89.11 O +ATOM 103 CB PRO A 17 -4.069 -2.680 4.015 1.00 88.47 C +ATOM 104 CG PRO A 17 -4.712 -3.018 2.713 1.00 85.97 C +ATOM 105 CD PRO A 17 -3.674 -2.709 1.667 1.00 88.58 C +HETATM 106 N HYP A 18 -2.044 -4.660 5.512 1.00 90.16 N +HETATM 107 CA HYP A 18 -1.840 -5.961 6.040 1.00 92.58 C +HETATM 108 C HYP A 18 -3.010 -6.888 5.817 1.00 93.15 C +HETATM 109 O HYP A 18 -4.147 -6.434 5.797 1.00 89.76 O +HETATM 110 CB HYP A 18 -1.580 -5.691 7.494 1.00 89.63 C +HETATM 111 CG HYP A 18 -0.954 -4.326 7.521 1.00 85.58 C +HETATM 112 CD HYP A 18 -1.704 -3.602 6.422 1.00 89.89 C +HETATM 113 OD1 HYP A 18 0.410 -4.378 7.158 1.00 88.01 O +ATOM 114 N GLY A 19 -2.703 -8.140 5.544 1.00 90.82 N +ATOM 115 CA GLY A 19 -3.716 -9.145 5.389 1.00 89.48 C +ATOM 116 C GLY A 19 -4.384 -9.434 6.721 1.00 89.91 C +ATOM 117 O GLY A 19 -4.020 -8.875 7.761 1.00 89.00 O +ATOM 118 N PRO A 20 -5.348 -10.331 6.710 1.00 88.74 N +ATOM 119 CA PRO A 20 -6.026 -10.669 7.950 1.00 89.75 C +ATOM 120 C PRO A 20 -5.101 -11.435 8.884 1.00 88.92 C +ATOM 121 O PRO A 20 -4.099 -12.000 8.458 1.00 86.17 O +ATOM 122 CB PRO A 20 -7.201 -11.522 7.478 1.00 87.21 C +ATOM 123 CG PRO A 20 -6.755 -12.089 6.186 1.00 84.60 C +ATOM 124 CD PRO A 20 -5.860 -11.058 5.563 1.00 86.40 C +HETATM 125 N HYP A 21 -5.374 -11.484 10.108 1.00 87.95 N +HETATM 126 CA HYP A 21 -4.567 -12.238 11.025 1.00 87.10 C +HETATM 127 C HYP A 21 -4.192 -13.593 10.520 1.00 85.48 C +HETATM 128 O HYP A 21 -4.440 -13.868 9.341 1.00 81.04 O +HETATM 129 CB HYP A 21 -5.418 -12.300 12.279 1.00 84.62 C +HETATM 130 CG HYP A 21 -6.350 -11.122 12.183 1.00 84.18 C +HETATM 131 CD HYP A 21 -6.557 -10.941 10.700 1.00 84.45 C +HETATM 132 OD1 HYP A 21 -5.730 -9.953 12.689 1.00 83.76 O +HETATM 133 OXT HYP A 21 -3.687 -14.477 11.255 1.00 83.47 O +TER 134 HYP A 21 +END diff --git a/protein_pdb_190.txt b/protein_pdb_190.txt new file mode 100644 index 0000000000000000000000000000000000000000..1a27ec299db9e99508b7527cc48b8fed8f39ef21 --- /dev/null +++ b/protein_pdb_190.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 10.703 -6.533 -8.461 1.00 92.51 N +ATOM 2 CA GLY A 1 9.520 -5.845 -8.838 1.00 93.34 C +ATOM 3 C GLY A 1 9.356 -4.485 -8.204 1.00 94.13 C +ATOM 4 O GLY A 1 10.077 -4.122 -7.270 1.00 92.23 O +ATOM 5 N PRO A 2 8.415 -3.750 -8.682 1.00 92.31 N +ATOM 6 CA PRO A 2 8.146 -2.426 -8.160 1.00 92.69 C +ATOM 7 C PRO A 2 7.455 -2.484 -6.812 1.00 92.73 C +ATOM 8 O PRO A 2 6.970 -3.532 -6.390 1.00 90.60 O +ATOM 9 CB PRO A 2 7.232 -1.825 -9.223 1.00 90.41 C +ATOM 10 CG PRO A 2 6.513 -3.008 -9.761 1.00 86.53 C +ATOM 11 CD PRO A 2 7.530 -4.105 -9.779 1.00 88.58 C +HETATM 12 N HYP A 3 7.423 -1.352 -6.180 1.00 92.37 N +HETATM 13 CA HYP A 3 6.719 -1.276 -4.901 1.00 90.45 C +HETATM 14 C HYP A 3 5.245 -1.592 -5.067 1.00 92.75 C +HETATM 15 O HYP A 3 4.676 -1.356 -6.141 1.00 94.75 O +HETATM 16 CB HYP A 3 6.927 0.212 -4.512 1.00 90.68 C +HETATM 17 CG HYP A 3 8.227 0.600 -5.207 1.00 88.23 C +HETATM 18 CD HYP A 3 8.116 -0.161 -6.555 1.00 90.99 C +HETATM 19 OD1 HYP A 3 9.287 0.077 -4.458 1.00 90.27 O +ATOM 20 N GLY A 4 4.682 -2.173 -4.041 1.00 94.30 N +ATOM 21 CA GLY A 4 3.283 -2.488 -4.070 1.00 94.15 C +ATOM 22 C GLY A 4 2.436 -1.234 -4.084 1.00 94.94 C +ATOM 23 O GLY A 4 2.943 -0.124 -3.916 1.00 94.46 O +ATOM 24 N PRO A 5 1.134 -1.393 -4.279 1.00 94.00 N +ATOM 25 CA PRO A 5 0.238 -0.249 -4.307 1.00 93.68 C +ATOM 26 C PRO A 5 0.045 0.351 -2.928 1.00 93.71 C +ATOM 27 O PRO A 5 0.356 -0.270 -1.917 1.00 92.54 O +ATOM 28 CB PRO A 5 -1.062 -0.842 -4.847 1.00 92.70 C +ATOM 29 CG PRO A 5 -1.023 -2.251 -4.373 1.00 90.51 C +ATOM 30 CD PRO A 5 0.420 -2.654 -4.472 1.00 92.60 C +HETATM 31 N HYP A 6 -0.454 1.590 -2.913 1.00 92.99 N +HETATM 32 CA HYP A 6 -0.765 2.213 -1.660 1.00 93.75 C +HETATM 33 C HYP A 6 -1.755 1.410 -0.854 1.00 94.26 C +HETATM 34 O HYP A 6 -2.615 0.724 -1.461 1.00 94.70 O +HETATM 35 CB HYP A 6 -1.334 3.582 -2.076 1.00 90.49 C +HETATM 36 CG HYP A 6 -0.689 3.847 -3.416 1.00 90.81 C +HETATM 37 CD HYP A 6 -0.693 2.467 -4.055 1.00 92.37 C +HETATM 38 OD1 HYP A 6 0.635 4.274 -3.222 1.00 91.22 O +ATOM 39 N GLY A 7 -1.609 1.428 0.429 1.00 93.61 N +ATOM 40 CA GLY A 7 -2.517 0.730 1.294 1.00 93.36 C +ATOM 41 C GLY A 7 -3.905 1.331 1.230 1.00 94.12 C +ATOM 42 O GLY A 7 -4.133 2.357 0.588 1.00 94.08 O +ATOM 43 N PRO A 8 -4.852 0.684 1.897 1.00 94.32 N +ATOM 44 CA PRO A 8 -6.224 1.166 1.874 1.00 94.26 C +ATOM 45 C PRO A 8 -6.388 2.459 2.647 1.00 94.61 C +ATOM 46 O PRO A 8 -5.624 2.762 3.562 1.00 93.09 O +ATOM 47 CB PRO A 8 -7.008 0.031 2.516 1.00 92.80 C +ATOM 48 CG PRO A 8 -6.019 -0.607 3.428 1.00 91.44 C +ATOM 49 CD PRO A 8 -4.703 -0.509 2.706 1.00 93.26 C +HETATM 50 N HYP A 9 -7.421 3.206 2.312 1.00 93.67 N +HETATM 51 CA HYP A 9 -7.711 4.417 2.963 1.00 92.89 C +HETATM 52 C HYP A 9 -8.223 4.148 4.392 1.00 93.35 C +HETATM 53 O HYP A 9 -8.857 3.103 4.637 1.00 93.64 O +HETATM 54 CB HYP A 9 -8.886 5.031 2.144 1.00 89.34 C +HETATM 55 CG HYP A 9 -8.810 4.348 0.820 1.00 89.81 C +HETATM 56 CD HYP A 9 -8.299 2.984 1.125 1.00 92.11 C +HETATM 57 OD1 HYP A 9 -7.861 5.029 0.035 1.00 89.27 O +ATOM 58 N GLY A 10 -7.922 4.991 5.301 1.00 93.73 N +ATOM 59 CA GLY A 10 -8.572 4.930 6.586 1.00 92.77 C +ATOM 60 C GLY A 10 -10.025 5.330 6.407 1.00 92.83 C +ATOM 61 O GLY A 10 -10.464 5.662 5.310 1.00 90.96 O +ATOM 62 N LYS A 11 -10.770 5.319 7.496 1.00 90.04 N +ATOM 63 CA LYS A 11 -12.178 5.693 7.396 1.00 91.51 C +ATOM 64 C LYS A 11 -12.341 7.059 6.738 1.00 91.43 C +ATOM 65 O LYS A 11 -13.256 7.260 5.929 1.00 88.93 O +ATOM 66 CB LYS A 11 -12.834 5.694 8.775 1.00 88.83 C +ATOM 67 CG LYS A 11 -12.971 4.308 9.368 1.00 84.71 C +ATOM 68 CD LYS A 11 -13.649 4.347 10.717 1.00 79.11 C +ATOM 69 CE LYS A 11 -13.750 2.956 11.326 1.00 75.81 C +ATOM 70 NZ LYS A 11 -14.386 2.992 12.666 1.00 69.65 N +ATOM 71 N THR A 12 -11.463 7.982 7.085 1.00 93.60 N +ATOM 72 CA THR A 12 -11.435 9.308 6.474 1.00 93.96 C +ATOM 73 C THR A 12 -10.001 9.749 6.196 1.00 94.38 C +ATOM 74 O THR A 12 -9.762 10.902 5.842 1.00 90.52 O +ATOM 75 CB THR A 12 -12.110 10.359 7.378 1.00 91.79 C +ATOM 76 OG1 THR A 12 -11.446 10.388 8.630 1.00 87.54 O +ATOM 77 CG2 THR A 12 -13.579 10.044 7.597 1.00 84.74 C +ATOM 78 N GLY A 13 -9.060 8.843 6.336 1.00 95.36 N +ATOM 79 CA GLY A 13 -7.657 9.181 6.230 1.00 94.71 C +ATOM 80 C GLY A 13 -7.037 8.828 4.905 1.00 95.14 C +ATOM 81 O GLY A 13 -7.691 8.279 4.018 1.00 94.49 O +ATOM 82 N PRO A 14 -5.766 9.138 4.761 1.00 95.63 N +ATOM 83 CA PRO A 14 -5.054 8.874 3.521 1.00 95.37 C +ATOM 84 C PRO A 14 -4.767 7.399 3.324 1.00 95.51 C +ATOM 85 O PRO A 14 -4.860 6.606 4.258 1.00 94.17 O +ATOM 86 CB PRO A 14 -3.761 9.667 3.686 1.00 94.20 C +ATOM 87 CG PRO A 14 -3.521 9.635 5.155 1.00 92.65 C +ATOM 88 CD PRO A 14 -4.885 9.740 5.771 1.00 94.07 C +HETATM 89 N HYP A 15 -4.422 7.101 2.130 1.00 93.77 N +HETATM 90 CA HYP A 15 -3.990 5.743 1.817 1.00 94.66 C +HETATM 91 C HYP A 15 -2.748 5.384 2.563 1.00 95.68 C +HETATM 92 O HYP A 15 -1.962 6.295 2.932 1.00 94.55 O +HETATM 93 CB HYP A 15 -3.756 5.853 0.283 1.00 91.69 C +HETATM 94 CG HYP A 15 -4.659 6.988 -0.174 1.00 90.53 C +HETATM 95 CD HYP A 15 -4.553 7.973 0.965 1.00 92.87 C +HETATM 96 OD1 HYP A 15 -5.970 6.553 -0.328 1.00 91.71 O +ATOM 97 N GLY A 16 -2.592 4.129 2.830 1.00 96.03 N +ATOM 98 CA GLY A 16 -1.396 3.664 3.469 1.00 95.75 C +ATOM 99 C GLY A 16 -0.206 3.783 2.538 1.00 95.94 C +ATOM 100 O GLY A 16 -0.345 4.139 1.370 1.00 95.56 O +ATOM 101 N PRO A 17 0.981 3.477 3.065 1.00 94.51 N +ATOM 102 CA PRO A 17 2.184 3.566 2.257 1.00 94.15 C +ATOM 103 C PRO A 17 2.233 2.466 1.208 1.00 94.23 C +ATOM 104 O PRO A 17 1.541 1.460 1.310 1.00 92.44 O +ATOM 105 CB PRO A 17 3.299 3.417 3.279 1.00 92.97 C +ATOM 106 CG PRO A 17 2.687 2.582 4.350 1.00 91.23 C +ATOM 107 CD PRO A 17 1.257 3.031 4.427 1.00 92.93 C +HETATM 108 N HYP A 18 3.062 2.694 0.190 1.00 90.49 N +HETATM 109 CA HYP A 18 3.281 1.669 -0.777 1.00 90.26 C +HETATM 110 C HYP A 18 3.796 0.411 -0.165 1.00 91.97 C +HETATM 111 O HYP A 18 4.474 0.459 0.871 1.00 92.95 O +HETATM 112 CB HYP A 18 4.313 2.313 -1.727 1.00 89.05 C +HETATM 113 CG HYP A 18 4.083 3.803 -1.589 1.00 88.51 C +HETATM 114 CD HYP A 18 3.737 3.938 -0.128 1.00 91.41 C +HETATM 115 OD1 HYP A 18 2.975 4.188 -2.380 1.00 89.93 O +ATOM 116 N GLY A 19 3.450 -0.694 -0.750 1.00 92.64 N +ATOM 117 CA GLY A 19 3.942 -1.962 -0.298 1.00 92.77 C +ATOM 118 C GLY A 19 5.430 -2.083 -0.550 1.00 93.34 C +ATOM 119 O GLY A 19 6.031 -1.247 -1.218 1.00 93.11 O +ATOM 120 N PRO A 20 6.036 -3.133 -0.016 1.00 91.20 N +ATOM 121 CA PRO A 20 7.464 -3.334 -0.210 1.00 91.17 C +ATOM 122 C PRO A 20 7.779 -3.689 -1.649 1.00 91.34 C +ATOM 123 O PRO A 20 6.916 -4.130 -2.398 1.00 90.09 O +ATOM 124 CB PRO A 20 7.782 -4.490 0.733 1.00 89.69 C +ATOM 125 CG PRO A 20 6.507 -5.237 0.820 1.00 87.10 C +ATOM 126 CD PRO A 20 5.435 -4.188 0.776 1.00 89.14 C +HETATM 127 N HYP A 21 9.028 -3.474 -1.994 1.00 90.36 N +HETATM 128 CA HYP A 21 9.456 -3.847 -3.318 1.00 90.69 C +HETATM 129 C HYP A 21 9.252 -5.312 -3.600 1.00 89.45 C +HETATM 130 O HYP A 21 9.377 -6.127 -2.691 1.00 93.26 O +HETATM 131 CB HYP A 21 10.932 -3.491 -3.328 1.00 88.96 C +HETATM 132 CG HYP A 21 11.108 -2.443 -2.263 1.00 85.78 C +HETATM 133 CD HYP A 21 10.105 -2.857 -1.216 1.00 90.80 C +HETATM 134 OD1 HYP A 21 10.702 -1.165 -2.775 1.00 87.17 O +ATOM 135 N GLY A 22 8.854 -5.634 -4.801 1.00 90.34 N +ATOM 136 CA GLY A 22 8.702 -7.002 -5.199 1.00 88.85 C +ATOM 137 C GLY A 22 10.063 -7.657 -5.347 1.00 89.24 C +ATOM 138 O GLY A 22 11.098 -6.993 -5.258 1.00 88.36 O +ATOM 139 N PRO A 23 10.099 -8.965 -5.586 1.00 93.10 N +ATOM 140 CA PRO A 23 11.363 -9.658 -5.777 1.00 92.85 C +ATOM 141 C PRO A 23 11.934 -9.330 -7.147 1.00 92.30 C +ATOM 142 O PRO A 23 11.444 -9.818 -8.163 1.00 88.99 O +ATOM 143 CB PRO A 23 10.968 -11.125 -5.646 1.00 90.62 C +ATOM 144 CG PRO A 23 9.554 -11.158 -6.109 1.00 87.21 C +ATOM 145 CD PRO A 23 8.953 -9.852 -5.669 1.00 90.39 C +HETATM 146 N HYP A 24 12.816 -8.434 -7.237 1.00 93.67 N +HETATM 147 CA HYP A 24 13.113 -7.592 -8.451 1.00 89.73 C +HETATM 148 C HYP A 24 12.220 -6.736 -8.998 1.00 93.65 C +HETATM 149 O HYP A 24 12.489 -5.463 -9.198 1.00 92.64 O +HETATM 150 CB HYP A 24 14.566 -7.434 -8.556 1.00 88.56 C +HETATM 151 CG HYP A 24 15.106 -8.649 -7.825 1.00 86.90 C +HETATM 152 CD HYP A 24 13.982 -9.002 -6.777 1.00 91.74 C +HETATM 153 OD1 HYP A 24 16.323 -8.378 -7.187 1.00 88.90 O +HETATM 154 OXT HYP A 24 11.679 -7.098 -10.173 1.00 88.09 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_191.txt b/protein_pdb_191.txt new file mode 100644 index 0000000000000000000000000000000000000000..426dc66a3554aaef63436c4e62879230dbfac0ff --- /dev/null +++ b/protein_pdb_191.txt @@ -0,0 +1,1747 @@ +ATOM 1 N GLY A 1 95.190 64.621 -24.152 1.00 53.60 N +ATOM 2 CA GLY A 1 94.142 64.526 -23.119 1.00 59.19 C +ATOM 3 C GLY A 1 93.594 63.121 -23.161 1.00 57.75 C +ATOM 4 O GLY A 1 93.630 62.528 -24.234 1.00 55.90 O +ATOM 5 N GLN A 2 93.234 62.582 -22.015 1.00 61.42 N +ATOM 6 CA GLN A 2 92.580 61.277 -21.977 1.00 65.53 C +ATOM 7 C GLN A 2 91.123 61.445 -22.394 1.00 63.33 C +ATOM 8 O GLN A 2 90.462 62.375 -21.932 1.00 59.81 O +ATOM 9 CB GLN A 2 92.687 60.674 -20.570 1.00 63.61 C +ATOM 10 CG GLN A 2 94.123 60.207 -20.245 1.00 58.49 C +ATOM 11 CD GLN A 2 94.269 59.648 -18.830 1.00 54.34 C +ATOM 12 OE1 GLN A 2 93.408 59.725 -17.981 1.00 53.17 O +ATOM 13 NE2 GLN A 2 95.406 59.073 -18.496 1.00 49.68 N +ATOM 14 N ASP A 3 90.629 60.555 -23.255 1.00 63.09 N +ATOM 15 CA ASP A 3 89.237 60.552 -23.691 1.00 67.59 C +ATOM 16 C ASP A 3 88.302 60.347 -22.487 1.00 65.54 C +ATOM 17 O ASP A 3 88.609 59.597 -21.549 1.00 60.85 O +ATOM 18 CB ASP A 3 89.024 59.469 -24.765 1.00 63.74 C +ATOM 19 CG ASP A 3 89.888 59.699 -26.020 1.00 57.20 C +ATOM 20 OD1 ASP A 3 90.060 60.881 -26.405 1.00 53.69 O +ATOM 21 OD2 ASP A 3 90.429 58.701 -26.540 1.00 52.04 O +ATOM 22 N GLY A 4 87.204 61.056 -22.497 1.00 63.28 N +ATOM 23 CA GLY A 4 86.182 60.938 -21.462 1.00 65.26 C +ATOM 24 C GLY A 4 85.612 59.518 -21.415 1.00 65.32 C +ATOM 25 O GLY A 4 85.318 58.931 -22.450 1.00 62.62 O +ATOM 26 N ARG A 5 85.509 58.987 -20.229 1.00 65.39 N +ATOM 27 CA ARG A 5 84.899 57.666 -20.050 1.00 70.21 C +ATOM 28 C ARG A 5 83.397 57.765 -20.289 1.00 68.04 C +ATOM 29 O ARG A 5 82.755 58.671 -19.764 1.00 66.21 O +ATOM 30 CB ARG A 5 85.193 57.109 -18.653 1.00 67.55 C +ATOM 31 CG ARG A 5 86.682 56.811 -18.431 1.00 61.38 C +ATOM 32 CD ARG A 5 86.891 56.183 -17.050 1.00 59.18 C +ATOM 33 NE ARG A 5 88.321 55.911 -16.777 1.00 56.47 N +ATOM 34 CZ ARG A 5 88.817 55.341 -15.688 1.00 50.15 C +ATOM 35 NH1 ARG A 5 88.055 54.952 -14.705 1.00 50.48 N +ATOM 36 NH2 ARG A 5 90.096 55.161 -15.564 1.00 49.17 N +ATOM 37 N ASN A 6 82.880 56.834 -21.039 1.00 70.98 N +ATOM 38 CA ASN A 6 81.433 56.714 -21.237 1.00 74.12 C +ATOM 39 C ASN A 6 80.711 56.546 -19.889 1.00 72.47 C +ATOM 40 O ASN A 6 81.220 55.889 -18.976 1.00 67.99 O +ATOM 41 CB ASN A 6 81.124 55.541 -22.196 1.00 68.82 C +ATOM 42 CG ASN A 6 81.506 55.822 -23.644 1.00 62.06 C +ATOM 43 OD1 ASN A 6 81.964 56.905 -23.992 1.00 58.00 O +ATOM 44 ND2 ASN A 6 81.319 54.887 -24.538 1.00 56.08 N +ATOM 45 N GLY A 7 79.549 57.158 -19.764 1.00 66.56 N +ATOM 46 CA GLY A 7 78.702 57.004 -18.584 1.00 67.83 C +ATOM 47 C GLY A 7 78.246 55.551 -18.411 1.00 68.64 C +ATOM 48 O GLY A 7 78.024 54.843 -19.392 1.00 66.13 O +ATOM 49 N GLU A 8 78.133 55.134 -17.173 1.00 62.84 N +ATOM 50 CA GLU A 8 77.651 53.789 -16.852 1.00 67.31 C +ATOM 51 C GLU A 8 76.182 53.621 -17.273 1.00 65.90 C +ATOM 52 O GLU A 8 75.358 54.530 -17.124 1.00 64.61 O +ATOM 53 CB GLU A 8 77.842 53.469 -15.356 1.00 64.68 C +ATOM 54 CG GLU A 8 79.331 53.387 -14.977 1.00 59.21 C +ATOM 55 CD GLU A 8 79.581 53.032 -13.503 1.00 56.03 C +ATOM 56 OE1 GLU A 8 80.760 52.730 -13.181 1.00 54.31 O +ATOM 57 OE2 GLU A 8 78.621 53.089 -12.699 1.00 52.49 O +ATOM 58 N ARG A 9 75.851 52.448 -17.815 1.00 67.98 N +ATOM 59 CA ARG A 9 74.472 52.094 -18.181 1.00 72.35 C +ATOM 60 C ARG A 9 73.585 52.089 -16.929 1.00 70.26 C +ATOM 61 O ARG A 9 73.968 51.549 -15.905 1.00 65.44 O +ATOM 62 CB ARG A 9 74.481 50.740 -18.910 1.00 68.29 C +ATOM 63 CG ARG A 9 73.082 50.273 -19.319 1.00 62.36 C +ATOM 64 CD ARG A 9 73.123 48.909 -20.018 1.00 61.32 C +ATOM 65 NE ARG A 9 72.846 48.992 -21.456 1.00 57.99 N +ATOM 66 CZ ARG A 9 72.784 47.991 -22.312 1.00 52.40 C +ATOM 67 NH1 ARG A 9 73.023 46.754 -21.948 1.00 52.30 N +ATOM 68 NH2 ARG A 9 72.479 48.199 -23.548 1.00 50.75 N +ATOM 69 N GLY A 10 72.396 52.663 -17.031 1.00 70.38 N +ATOM 70 CA GLY A 10 71.427 52.626 -15.957 1.00 70.95 C +ATOM 71 C GLY A 10 71.015 51.192 -15.598 1.00 71.74 C +ATOM 72 O GLY A 10 70.904 50.340 -16.485 1.00 69.51 O +ATOM 73 N GLU A 11 70.822 50.951 -14.309 1.00 66.06 N +ATOM 74 CA GLU A 11 70.372 49.643 -13.820 1.00 70.97 C +ATOM 75 C GLU A 11 68.956 49.337 -14.326 1.00 68.82 C +ATOM 76 O GLU A 11 68.087 50.208 -14.422 1.00 67.34 O +ATOM 77 CB GLU A 11 70.426 49.574 -12.286 1.00 67.98 C +ATOM 78 CG GLU A 11 71.868 49.642 -11.740 1.00 62.19 C +ATOM 79 CD GLU A 11 71.948 49.494 -10.204 1.00 60.10 C +ATOM 80 OE1 GLU A 11 73.079 49.281 -9.709 1.00 57.18 O +ATOM 81 OE2 GLU A 11 70.902 49.618 -9.535 1.00 55.66 O +ATOM 82 N GLN A 12 68.712 48.071 -14.658 1.00 70.95 N +ATOM 83 CA GLN A 12 67.393 47.592 -15.048 1.00 74.86 C +ATOM 84 C GLN A 12 66.425 47.694 -13.862 1.00 73.26 C +ATOM 85 O GLN A 12 66.755 47.326 -12.734 1.00 67.81 O +ATOM 86 CB GLN A 12 67.525 46.157 -15.586 1.00 71.42 C +ATOM 87 CG GLN A 12 66.199 45.576 -16.111 1.00 66.80 C +ATOM 88 CD GLN A 12 66.363 44.189 -16.742 1.00 63.87 C +ATOM 89 OE1 GLN A 12 67.444 43.666 -16.922 1.00 62.18 O +ATOM 90 NE2 GLN A 12 65.286 43.536 -17.118 1.00 57.56 N +ATOM 91 N GLY A 13 65.235 48.206 -14.099 1.00 71.25 N +ATOM 92 CA GLY A 13 64.196 48.276 -13.073 1.00 71.98 C +ATOM 93 C GLY A 13 63.792 46.888 -12.574 1.00 72.83 C +ATOM 94 O GLY A 13 63.826 45.933 -13.349 1.00 71.12 O +ATOM 95 N PRO A 14 63.386 46.759 -11.292 1.00 68.96 N +ATOM 96 CA PRO A 14 62.949 45.484 -10.751 1.00 72.03 C +ATOM 97 C PRO A 14 61.690 44.978 -11.462 1.00 70.23 C +ATOM 98 O PRO A 14 60.809 45.767 -11.824 1.00 67.99 O +ATOM 99 CB PRO A 14 62.705 45.726 -9.255 1.00 70.02 C +ATOM 100 CG PRO A 14 62.361 47.213 -9.193 1.00 66.78 C +ATOM 101 CD PRO A 14 63.235 47.819 -10.292 1.00 68.44 C +ATOM 102 N THR A 15 61.596 43.677 -11.636 1.00 73.69 N +ATOM 103 CA THR A 15 60.386 43.025 -12.155 1.00 75.44 C +ATOM 104 C THR A 15 59.189 43.340 -11.248 1.00 73.05 C +ATOM 105 O THR A 15 59.289 43.281 -10.019 1.00 68.87 O +ATOM 106 CB THR A 15 60.589 41.507 -12.266 1.00 72.55 C +ATOM 107 OG1 THR A 15 61.758 41.227 -13.007 1.00 67.56 O +ATOM 108 CG2 THR A 15 59.430 40.791 -12.954 1.00 67.16 C +ATOM 109 N GLY A 16 58.062 43.692 -11.827 1.00 71.07 N +ATOM 110 CA GLY A 16 56.833 43.960 -11.085 1.00 71.41 C +ATOM 111 C GLY A 16 56.346 42.725 -10.313 1.00 71.91 C +ATOM 112 O GLY A 16 56.574 41.595 -10.744 1.00 70.32 O +ATOM 113 N PRO A 17 55.652 42.926 -9.177 1.00 69.28 N +ATOM 114 CA PRO A 17 55.109 41.808 -8.409 1.00 71.12 C +ATOM 115 C PRO A 17 54.058 41.041 -9.225 1.00 68.83 C +ATOM 116 O PRO A 17 53.261 41.643 -9.948 1.00 66.54 O +ATOM 117 CB PRO A 17 54.521 42.420 -7.137 1.00 69.36 C +ATOM 118 CG PRO A 17 54.154 43.841 -7.566 1.00 66.75 C +ATOM 119 CD PRO A 17 55.253 44.193 -8.576 1.00 68.62 C +ATOM 120 N THR A 18 54.021 39.723 -9.048 1.00 69.76 N +ATOM 121 CA THR A 18 52.978 38.876 -9.631 1.00 71.14 C +ATOM 122 C THR A 18 51.593 39.314 -9.144 1.00 68.26 C +ATOM 123 O THR A 18 51.393 39.574 -7.955 1.00 64.12 O +ATOM 124 CB THR A 18 53.221 37.390 -9.286 1.00 68.90 C +ATOM 125 OG1 THR A 18 54.538 37.027 -9.613 1.00 64.43 O +ATOM 126 CG2 THR A 18 52.287 36.434 -10.026 1.00 63.97 C +ATOM 127 N GLY A 19 50.636 39.415 -10.050 1.00 66.35 N +ATOM 128 CA GLY A 19 49.251 39.770 -9.713 1.00 67.04 C +ATOM 129 C GLY A 19 48.613 38.757 -8.747 1.00 67.40 C +ATOM 130 O GLY A 19 48.949 37.576 -8.784 1.00 65.50 O +ATOM 131 N PRO A 20 47.685 39.212 -7.884 1.00 64.59 N +ATOM 132 CA PRO A 20 46.983 38.308 -6.985 1.00 66.80 C +ATOM 133 C PRO A 20 46.170 37.277 -7.779 1.00 64.27 C +ATOM 134 O PRO A 20 45.622 37.579 -8.839 1.00 62.46 O +ATOM 135 CB PRO A 20 46.089 39.194 -6.104 1.00 65.63 C +ATOM 136 CG PRO A 20 45.837 40.415 -6.986 1.00 62.96 C +ATOM 137 CD PRO A 20 47.145 40.563 -7.765 1.00 64.04 C +ATOM 138 N ALA A 21 46.056 36.061 -7.233 1.00 64.67 N +ATOM 139 CA ALA A 21 45.192 35.039 -7.807 1.00 67.73 C +ATOM 140 C ALA A 21 43.733 35.532 -7.867 1.00 65.86 C +ATOM 141 O ALA A 21 43.250 36.212 -6.962 1.00 61.85 O +ATOM 142 CB ALA A 21 45.321 33.741 -6.991 1.00 65.48 C +ATOM 143 N GLY A 22 43.038 35.177 -8.942 1.00 61.57 N +ATOM 144 CA GLY A 22 41.622 35.496 -9.083 1.00 62.95 C +ATOM 145 C GLY A 22 40.775 34.859 -7.975 1.00 63.64 C +ATOM 146 O GLY A 22 41.152 33.805 -7.442 1.00 61.33 O +ATOM 147 N PRO A 23 39.639 35.476 -7.610 1.00 61.18 N +ATOM 148 CA PRO A 23 38.749 34.901 -6.607 1.00 64.29 C +ATOM 149 C PRO A 23 38.233 33.534 -7.077 1.00 62.18 C +ATOM 150 O PRO A 23 37.947 33.332 -8.260 1.00 59.90 O +ATOM 151 CB PRO A 23 37.616 35.914 -6.424 1.00 62.73 C +ATOM 152 CG PRO A 23 37.578 36.654 -7.762 1.00 59.74 C +ATOM 153 CD PRO A 23 39.039 36.677 -8.197 1.00 60.26 C +ATOM 154 N ARG A 24 38.073 32.592 -6.127 1.00 56.68 N +ATOM 155 CA ARG A 24 37.488 31.278 -6.384 1.00 60.98 C +ATOM 156 C ARG A 24 36.050 31.418 -6.903 1.00 57.87 C +ATOM 157 O ARG A 24 35.285 32.229 -6.378 1.00 55.66 O +ATOM 158 CB ARG A 24 37.553 30.442 -5.102 1.00 60.52 C +ATOM 159 CG ARG A 24 37.144 28.978 -5.305 1.00 57.36 C +ATOM 160 CD ARG A 24 37.306 28.212 -3.987 1.00 58.20 C +ATOM 161 NE ARG A 24 37.036 26.782 -4.102 1.00 56.78 N +ATOM 162 CZ ARG A 24 37.369 25.862 -3.221 1.00 50.98 C +ATOM 163 NH1 ARG A 24 37.934 26.154 -2.089 1.00 51.87 N +ATOM 164 NH2 ARG A 24 37.144 24.602 -3.433 1.00 50.57 N +ATOM 165 N GLY A 25 35.700 30.652 -7.911 1.00 57.97 N +ATOM 166 CA GLY A 25 34.330 30.591 -8.414 1.00 59.16 C +ATOM 167 C GLY A 25 33.345 30.163 -7.326 1.00 59.70 C +ATOM 168 O GLY A 25 33.686 29.363 -6.451 1.00 56.96 O +ATOM 169 N LEU A 26 32.119 30.708 -7.372 1.00 56.40 N +ATOM 170 CA LEU A 26 31.064 30.308 -6.442 1.00 60.38 C +ATOM 171 C LEU A 26 30.693 28.839 -6.679 1.00 59.13 C +ATOM 172 O LEU A 26 30.578 28.397 -7.826 1.00 57.31 O +ATOM 173 CB LEU A 26 29.836 31.220 -6.588 1.00 58.58 C +ATOM 174 CG LEU A 26 30.069 32.689 -6.182 1.00 54.36 C +ATOM 175 CD1 LEU A 26 28.816 33.514 -6.470 1.00 52.47 C +ATOM 176 CD2 LEU A 26 30.404 32.837 -4.699 1.00 50.97 C +ATOM 177 N GLN A 27 30.470 28.107 -5.592 1.00 56.82 N +ATOM 178 CA GLN A 27 29.991 26.731 -5.662 1.00 60.23 C +ATOM 179 C GLN A 27 28.624 26.680 -6.348 1.00 57.55 C +ATOM 180 O GLN A 27 27.730 27.471 -6.029 1.00 55.18 O +ATOM 181 CB GLN A 27 29.954 26.153 -4.237 1.00 59.64 C +ATOM 182 CG GLN A 27 29.635 24.649 -4.227 1.00 56.95 C +ATOM 183 CD GLN A 27 29.699 24.043 -2.821 1.00 55.03 C +ATOM 184 OE1 GLN A 27 29.843 24.714 -1.808 1.00 54.95 O +ATOM 185 NE2 GLN A 27 29.590 22.745 -2.706 1.00 51.03 N +ATOM 186 N GLY A 28 28.445 25.750 -7.281 1.00 56.20 N +ATOM 187 CA GLY A 28 27.154 25.512 -7.919 1.00 57.72 C +ATOM 188 C GLY A 28 26.090 25.116 -6.893 1.00 58.31 C +ATOM 189 O GLY A 28 26.379 24.399 -5.932 1.00 55.98 O +ATOM 190 N LEU A 29 24.848 25.580 -7.090 1.00 56.51 N +ATOM 191 CA LEU A 29 23.736 25.181 -6.230 1.00 60.96 C +ATOM 192 C LEU A 29 23.478 23.676 -6.384 1.00 60.81 C +ATOM 193 O LEU A 29 23.472 23.145 -7.489 1.00 59.20 O +ATOM 194 CB LEU A 29 22.476 26.003 -6.550 1.00 58.69 C +ATOM 195 CG LEU A 29 22.593 27.507 -6.243 1.00 54.30 C +ATOM 196 CD1 LEU A 29 21.330 28.234 -6.704 1.00 52.37 C +ATOM 197 CD2 LEU A 29 22.765 27.777 -4.741 1.00 50.46 C +ATOM 198 N GLN A 30 23.225 23.005 -5.261 1.00 57.10 N +ATOM 199 CA GLN A 30 22.867 21.592 -5.275 1.00 61.61 C +ATOM 200 C GLN A 30 21.541 21.409 -6.027 1.00 59.48 C +ATOM 201 O GLN A 30 20.570 22.126 -5.772 1.00 56.75 O +ATOM 202 CB GLN A 30 22.801 21.077 -3.831 1.00 60.50 C +ATOM 203 CG GLN A 30 22.584 19.558 -3.767 1.00 57.28 C +ATOM 204 CD GLN A 30 22.619 19.004 -2.344 1.00 55.02 C +ATOM 205 OE1 GLN A 30 22.764 19.706 -1.353 1.00 54.54 O +ATOM 206 NE2 GLN A 30 22.496 17.709 -2.183 1.00 50.43 N +ATOM 207 N GLY A 31 21.489 20.428 -6.930 1.00 55.20 N +ATOM 208 CA GLY A 31 20.262 20.070 -7.640 1.00 57.14 C +ATOM 209 C GLY A 31 19.137 19.704 -6.665 1.00 58.52 C +ATOM 210 O GLY A 31 19.371 19.076 -5.635 1.00 56.22 O +ATOM 211 N LEU A 32 17.903 20.103 -6.992 1.00 56.93 N +ATOM 212 CA LEU A 32 16.740 19.749 -6.185 1.00 61.57 C +ATOM 213 C LEU A 32 16.542 18.224 -6.211 1.00 61.70 C +ATOM 214 O LEU A 32 16.654 17.584 -7.252 1.00 60.04 O +ATOM 215 CB LEU A 32 15.481 20.484 -6.673 1.00 59.30 C +ATOM 216 CG LEU A 32 15.527 22.013 -6.503 1.00 54.61 C +ATOM 217 CD1 LEU A 32 14.278 22.647 -7.110 1.00 52.27 C +ATOM 218 CD2 LEU A 32 15.594 22.430 -5.029 1.00 50.74 C +ATOM 219 N GLN A 33 16.216 17.658 -5.052 1.00 61.14 N +ATOM 220 CA GLN A 33 15.891 16.238 -4.971 1.00 66.13 C +ATOM 221 C GLN A 33 14.633 15.957 -5.802 1.00 63.78 C +ATOM 222 O GLN A 33 13.630 16.653 -5.668 1.00 60.72 O +ATOM 223 CB GLN A 33 15.718 15.841 -3.495 1.00 63.96 C +ATOM 224 CG GLN A 33 15.495 14.333 -3.332 1.00 59.94 C +ATOM 225 CD GLN A 33 15.410 13.879 -1.873 1.00 57.05 C +ATOM 226 OE1 GLN A 33 15.562 14.629 -0.920 1.00 56.85 O +ATOM 227 NE2 GLN A 33 15.166 12.615 -1.635 1.00 53.22 N +ATOM 228 N GLY A 34 14.680 14.913 -6.637 1.00 59.41 N +ATOM 229 CA GLY A 34 13.528 14.478 -7.419 1.00 61.62 C +ATOM 230 C GLY A 34 12.327 14.129 -6.535 1.00 63.80 C +ATOM 231 O GLY A 34 12.482 13.605 -5.429 1.00 61.50 O +ATOM 232 N GLU A 35 11.123 14.440 -7.031 1.00 58.93 N +ATOM 233 CA GLU A 35 9.885 14.112 -6.317 1.00 64.94 C +ATOM 234 C GLU A 35 9.762 12.599 -6.130 1.00 64.62 C +ATOM 235 O GLU A 35 10.161 11.785 -6.968 1.00 63.62 O +ATOM 236 CB GLU A 35 8.657 14.688 -7.031 1.00 61.84 C +ATOM 237 CG GLU A 35 8.664 16.234 -7.018 1.00 56.46 C +ATOM 238 CD GLU A 35 7.371 16.842 -7.574 1.00 53.05 C +ATOM 239 OE1 GLU A 35 7.171 18.058 -7.310 1.00 50.45 O +ATOM 240 OE2 GLU A 35 6.602 16.120 -8.236 1.00 49.08 O +ATOM 241 N ARG A 36 9.218 12.214 -4.982 1.00 66.19 N +ATOM 242 CA ARG A 36 8.988 10.799 -4.692 1.00 70.89 C +ATOM 243 C ARG A 36 7.883 10.274 -5.602 1.00 69.39 C +ATOM 244 O ARG A 36 6.804 10.857 -5.625 1.00 65.48 O +ATOM 245 CB ARG A 36 8.647 10.644 -3.199 1.00 68.01 C +ATOM 246 CG ARG A 36 8.458 9.176 -2.800 1.00 64.35 C +ATOM 247 CD ARG A 36 8.202 9.110 -1.303 1.00 63.57 C +ATOM 248 NE ARG A 36 7.999 7.731 -0.846 1.00 61.61 N +ATOM 249 CZ ARG A 36 7.867 7.347 0.406 1.00 56.68 C +ATOM 250 NH1 ARG A 36 7.933 8.193 1.393 1.00 56.61 N +ATOM 251 NH2 ARG A 36 7.643 6.095 0.691 1.00 55.15 N +ATOM 252 N GLY A 37 8.131 9.146 -6.258 1.00 62.69 N +ATOM 253 CA GLY A 37 7.119 8.495 -7.088 1.00 64.05 C +ATOM 254 C GLY A 37 5.829 8.205 -6.319 1.00 66.01 C +ATOM 255 O GLY A 37 5.861 7.884 -5.124 1.00 64.37 O +ATOM 256 N GLU A 38 4.691 8.330 -7.013 1.00 59.86 N +ATOM 257 CA GLU A 38 3.376 8.057 -6.441 1.00 65.85 C +ATOM 258 C GLU A 38 3.276 6.600 -5.961 1.00 65.11 C +ATOM 259 O GLU A 38 3.877 5.678 -6.516 1.00 63.89 O +ATOM 260 CB GLU A 38 2.249 8.379 -7.427 1.00 62.98 C +ATOM 261 CG GLU A 38 2.169 9.891 -7.755 1.00 57.80 C +ATOM 262 CD GLU A 38 0.925 10.253 -8.580 1.00 54.56 C +ATOM 263 OE1 GLU A 38 0.594 11.460 -8.613 1.00 51.96 O +ATOM 264 OE2 GLU A 38 0.293 9.332 -9.145 1.00 50.34 O +ATOM 265 N GLN A 39 2.511 6.394 -4.892 1.00 68.56 N +ATOM 266 CA GLN A 39 2.268 5.043 -4.398 1.00 71.87 C +ATOM 267 C GLN A 39 1.430 4.273 -5.424 1.00 69.76 C +ATOM 268 O GLN A 39 0.390 4.754 -5.855 1.00 66.04 O +ATOM 269 CB GLN A 39 1.600 5.123 -3.015 1.00 69.89 C +ATOM 270 CG GLN A 39 1.365 3.733 -2.424 1.00 67.58 C +ATOM 271 CD GLN A 39 0.776 3.762 -1.013 1.00 64.95 C +ATOM 272 OE1 GLN A 39 0.899 4.693 -0.240 1.00 64.50 O +ATOM 273 NE2 GLN A 39 0.134 2.701 -0.597 1.00 61.34 N +ATOM 274 N GLY A 40 1.857 3.058 -5.759 1.00 64.88 N +ATOM 275 CA GLY A 40 1.104 2.189 -6.659 1.00 65.75 C +ATOM 276 C GLY A 40 -0.325 1.934 -6.163 1.00 66.41 C +ATOM 277 O GLY A 40 -0.576 1.939 -4.949 1.00 64.72 O +ATOM 278 N PRO A 41 -1.289 1.701 -7.085 1.00 66.27 N +ATOM 279 CA PRO A 41 -2.677 1.454 -6.724 1.00 69.03 C +ATOM 280 C PRO A 41 -2.802 0.216 -5.827 1.00 67.74 C +ATOM 281 O PRO A 41 -2.036 -0.740 -5.927 1.00 65.62 O +ATOM 282 CB PRO A 41 -3.430 1.299 -8.047 1.00 67.22 C +ATOM 283 CG PRO A 41 -2.351 0.819 -9.015 1.00 65.56 C +ATOM 284 CD PRO A 41 -1.099 1.552 -8.519 1.00 68.55 C +ATOM 285 N THR A 42 -3.803 0.239 -4.936 1.00 69.08 N +ATOM 286 CA THR A 42 -4.121 -0.923 -4.108 1.00 70.44 C +ATOM 287 C THR A 42 -4.521 -2.093 -5.011 1.00 67.99 C +ATOM 288 O THR A 42 -5.312 -1.917 -5.935 1.00 64.15 O +ATOM 289 CB THR A 42 -5.252 -0.601 -3.119 1.00 68.51 C +ATOM 290 OG1 THR A 42 -4.879 0.513 -2.334 1.00 64.69 O +ATOM 291 CG2 THR A 42 -5.550 -1.735 -2.146 1.00 64.50 C +ATOM 292 N GLY A 43 -3.975 -3.279 -4.740 1.00 63.26 N +ATOM 293 CA GLY A 43 -4.333 -4.482 -5.482 1.00 64.62 C +ATOM 294 C GLY A 43 -5.843 -4.771 -5.427 1.00 65.40 C +ATOM 295 O GLY A 43 -6.512 -4.405 -4.454 1.00 63.80 O +ATOM 296 N PRO A 44 -6.407 -5.422 -6.465 1.00 66.68 N +ATOM 297 CA PRO A 44 -7.825 -5.761 -6.491 1.00 69.50 C +ATOM 298 C PRO A 44 -8.191 -6.653 -5.304 1.00 68.48 C +ATOM 299 O PRO A 44 -7.386 -7.451 -4.830 1.00 66.45 O +ATOM 300 CB PRO A 44 -8.060 -6.448 -7.841 1.00 67.91 C +ATOM 301 CG PRO A 44 -6.692 -7.032 -8.185 1.00 66.61 C +ATOM 302 CD PRO A 44 -5.716 -5.995 -7.603 1.00 69.57 C +ATOM 303 N ALA A 45 -9.441 -6.517 -4.829 1.00 71.77 N +ATOM 304 CA ALA A 45 -9.956 -7.408 -3.796 1.00 73.91 C +ATOM 305 C ALA A 45 -9.912 -8.866 -4.286 1.00 73.16 C +ATOM 306 O ALA A 45 -10.211 -9.149 -5.446 1.00 69.41 O +ATOM 307 CB ALA A 45 -11.375 -6.982 -3.412 1.00 70.78 C +ATOM 308 N GLY A 46 -9.549 -9.773 -3.385 1.00 62.49 N +ATOM 309 CA GLY A 46 -9.562 -11.197 -3.684 1.00 64.56 C +ATOM 310 C GLY A 46 -10.956 -11.681 -4.104 1.00 65.42 C +ATOM 311 O GLY A 46 -11.968 -11.092 -3.720 1.00 63.38 O +ATOM 312 N PRO A 47 -11.032 -12.760 -4.907 1.00 66.86 N +ATOM 313 CA PRO A 47 -12.307 -13.318 -5.335 1.00 70.55 C +ATOM 314 C PRO A 47 -13.154 -13.706 -4.115 1.00 70.25 C +ATOM 315 O PRO A 47 -12.645 -14.152 -3.087 1.00 67.93 O +ATOM 316 CB PRO A 47 -11.969 -14.512 -6.225 1.00 68.56 C +ATOM 317 CG PRO A 47 -10.595 -14.945 -5.732 1.00 67.51 C +ATOM 318 CD PRO A 47 -9.939 -13.621 -5.320 1.00 70.69 C +ATOM 319 N ARG A 48 -14.470 -13.529 -4.248 1.00 69.78 N +ATOM 320 CA ARG A 48 -15.399 -13.954 -3.201 1.00 73.07 C +ATOM 321 C ARG A 48 -15.328 -15.468 -3.046 1.00 71.39 C +ATOM 322 O ARG A 48 -15.394 -16.182 -4.040 1.00 67.47 O +ATOM 323 CB ARG A 48 -16.808 -13.471 -3.570 1.00 69.95 C +ATOM 324 CG ARG A 48 -17.816 -13.733 -2.452 1.00 65.86 C +ATOM 325 CD ARG A 48 -19.170 -13.163 -2.857 1.00 66.34 C +ATOM 326 NE ARG A 48 -20.174 -13.341 -1.800 1.00 62.28 N +ATOM 327 CZ ARG A 48 -21.406 -12.878 -1.813 1.00 55.96 C +ATOM 328 NH1 ARG A 48 -21.867 -12.190 -2.831 1.00 55.12 N +ATOM 329 NH2 ARG A 48 -22.197 -13.095 -0.818 1.00 52.91 N +ATOM 330 N GLY A 49 -15.246 -15.935 -1.800 1.00 64.48 N +ATOM 331 CA GLY A 49 -15.293 -17.367 -1.506 1.00 65.88 C +ATOM 332 C GLY A 49 -16.544 -18.023 -2.095 1.00 66.84 C +ATOM 333 O GLY A 49 -17.602 -17.397 -2.192 1.00 64.25 O +ATOM 334 N LEU A 50 -16.402 -19.280 -2.524 1.00 66.64 N +ATOM 335 CA LEU A 50 -17.515 -20.051 -3.064 1.00 70.59 C +ATOM 336 C LEU A 50 -18.625 -20.168 -2.003 1.00 70.54 C +ATOM 337 O LEU A 50 -18.349 -20.293 -0.812 1.00 68.66 O +ATOM 338 CB LEU A 50 -17.049 -21.432 -3.554 1.00 67.79 C +ATOM 339 CG LEU A 50 -16.068 -21.394 -4.745 1.00 63.45 C +ATOM 340 CD1 LEU A 50 -15.613 -22.810 -5.087 1.00 60.77 C +ATOM 341 CD2 LEU A 50 -16.696 -20.773 -5.997 1.00 58.83 C +ATOM 342 N GLN A 51 -19.872 -20.088 -2.454 1.00 74.50 N +ATOM 343 CA GLN A 51 -21.007 -20.293 -1.556 1.00 77.00 C +ATOM 344 C GLN A 51 -20.965 -21.733 -1.040 1.00 75.66 C +ATOM 345 O GLN A 51 -20.846 -22.651 -1.833 1.00 72.55 O +ATOM 346 CB GLN A 51 -22.307 -19.961 -2.294 1.00 73.71 C +ATOM 347 CG GLN A 51 -23.533 -20.098 -1.380 1.00 70.41 C +ATOM 348 CD GLN A 51 -24.839 -19.656 -2.040 1.00 67.56 C +ATOM 349 OE1 GLN A 51 -24.909 -19.120 -3.138 1.00 64.80 O +ATOM 350 NE2 GLN A 51 -25.953 -19.838 -1.375 1.00 61.53 N +ATOM 351 N GLY A 52 -21.108 -21.897 0.279 1.00 66.82 N +ATOM 352 CA GLY A 52 -21.208 -23.225 0.874 1.00 68.12 C +ATOM 353 C GLY A 52 -22.346 -24.042 0.244 1.00 69.62 C +ATOM 354 O GLY A 52 -23.385 -23.485 -0.139 1.00 67.21 O +ATOM 355 N GLU A 53 -22.127 -25.337 0.112 1.00 63.44 N +ATOM 356 CA GLU A 53 -23.131 -26.242 -0.441 1.00 68.32 C +ATOM 357 C GLU A 53 -24.411 -26.208 0.399 1.00 67.71 C +ATOM 358 O GLU A 53 -24.396 -25.984 1.613 1.00 66.44 O +ATOM 359 CB GLU A 53 -22.581 -27.670 -0.573 1.00 65.42 C +ATOM 360 CG GLU A 53 -21.422 -27.734 -1.603 1.00 61.00 C +ATOM 361 CD GLU A 53 -20.957 -29.169 -1.907 1.00 58.00 C +ATOM 362 OE1 GLU A 53 -20.277 -29.316 -2.955 1.00 55.06 O +ATOM 363 OE2 GLU A 53 -21.281 -30.071 -1.124 1.00 54.10 O +ATOM 364 N ARG A 54 -25.548 -26.354 -0.287 1.00 73.65 N +ATOM 365 CA ARG A 54 -26.828 -26.424 0.423 1.00 76.29 C +ATOM 366 C ARG A 54 -26.829 -27.693 1.270 1.00 74.36 C +ATOM 367 O ARG A 54 -26.567 -28.766 0.750 1.00 70.08 O +ATOM 368 CB ARG A 54 -27.986 -26.394 -0.585 1.00 72.07 C +ATOM 369 CG ARG A 54 -29.357 -26.489 0.120 1.00 68.33 C +ATOM 370 CD ARG A 54 -30.518 -26.484 -0.881 1.00 67.84 C +ATOM 371 NE ARG A 54 -30.710 -25.171 -1.512 1.00 63.86 N +ATOM 372 CZ ARG A 54 -31.544 -24.894 -2.496 1.00 59.09 C +ATOM 373 NH1 ARG A 54 -32.295 -25.813 -3.045 1.00 57.68 N +ATOM 374 NH2 ARG A 54 -31.656 -23.672 -2.953 1.00 56.11 N +ATOM 375 N GLY A 55 -27.199 -27.556 2.540 1.00 66.66 N +ATOM 376 CA GLY A 55 -27.367 -28.725 3.402 1.00 66.85 C +ATOM 377 C GLY A 55 -28.353 -29.728 2.795 1.00 67.71 C +ATOM 378 O GLY A 55 -29.345 -29.335 2.173 1.00 65.33 O +ATOM 379 N GLU A 56 -28.050 -31.012 2.971 1.00 63.47 N +ATOM 380 CA GLU A 56 -28.913 -32.082 2.486 1.00 67.57 C +ATOM 381 C GLU A 56 -30.317 -31.967 3.100 1.00 66.02 C +ATOM 382 O GLU A 56 -30.505 -31.534 4.240 1.00 64.31 O +ATOM 383 CB GLU A 56 -28.308 -33.460 2.769 1.00 64.69 C +ATOM 384 CG GLU A 56 -27.000 -33.699 1.987 1.00 60.15 C +ATOM 385 CD GLU A 56 -26.476 -35.144 2.133 1.00 57.76 C +ATOM 386 OE1 GLU A 56 -25.646 -35.531 1.279 1.00 54.81 O +ATOM 387 OE2 GLU A 56 -26.918 -35.844 3.068 1.00 53.67 O +ATOM 388 N GLN A 57 -31.318 -32.327 2.293 1.00 73.05 N +ATOM 389 CA GLN A 57 -32.688 -32.359 2.788 1.00 75.17 C +ATOM 390 C GLN A 57 -32.795 -33.421 3.890 1.00 74.06 C +ATOM 391 O GLN A 57 -32.358 -34.552 3.699 1.00 70.12 O +ATOM 392 CB GLN A 57 -33.646 -32.619 1.615 1.00 71.84 C +ATOM 393 CG GLN A 57 -35.118 -32.575 2.061 1.00 68.20 C +ATOM 394 CD GLN A 57 -36.105 -32.709 0.897 1.00 65.85 C +ATOM 395 OE1 GLN A 57 -35.776 -32.728 -0.272 1.00 64.02 O +ATOM 396 NE2 GLN A 57 -37.378 -32.790 1.194 1.00 60.43 N +ATOM 397 N GLY A 58 -33.409 -33.046 5.005 1.00 63.28 N +ATOM 398 CA GLY A 58 -33.650 -34.006 6.078 1.00 63.59 C +ATOM 399 C GLY A 58 -34.450 -35.219 5.571 1.00 63.24 C +ATOM 400 O GLY A 58 -35.280 -35.079 4.676 1.00 61.15 O +ATOM 401 N PRO A 59 -34.225 -36.410 6.145 1.00 63.38 N +ATOM 402 CA PRO A 59 -34.930 -37.610 5.735 1.00 66.91 C +ATOM 403 C PRO A 59 -36.442 -37.435 5.904 1.00 65.10 C +ATOM 404 O PRO A 59 -36.912 -36.772 6.836 1.00 62.60 O +ATOM 405 CB PRO A 59 -34.371 -38.748 6.598 1.00 66.22 C +ATOM 406 CG PRO A 59 -33.869 -38.026 7.845 1.00 64.91 C +ATOM 407 CD PRO A 59 -33.375 -36.684 7.298 1.00 67.42 C +ATOM 408 N THR A 60 -37.209 -38.023 4.985 1.00 71.48 N +ATOM 409 CA THR A 60 -38.672 -38.046 5.109 1.00 72.20 C +ATOM 410 C THR A 60 -39.063 -38.748 6.404 1.00 70.18 C +ATOM 411 O THR A 60 -38.541 -39.818 6.708 1.00 66.20 O +ATOM 412 CB THR A 60 -39.313 -38.756 3.907 1.00 69.79 C +ATOM 413 OG1 THR A 60 -38.874 -38.152 2.704 1.00 65.53 O +ATOM 414 CG2 THR A 60 -40.833 -38.676 3.900 1.00 65.72 C +ATOM 415 N GLY A 61 -39.989 -38.137 7.145 1.00 61.27 N +ATOM 416 CA GLY A 61 -40.515 -38.754 8.361 1.00 62.05 C +ATOM 417 C GLY A 61 -41.070 -40.156 8.079 1.00 61.85 C +ATOM 418 O GLY A 61 -41.673 -40.408 7.036 1.00 59.84 O +ATOM 419 N LEU A 62 -40.828 -41.075 9.019 1.00 62.45 N +ATOM 420 CA LEU A 62 -41.313 -42.447 8.897 1.00 66.26 C +ATOM 421 C LEU A 62 -42.851 -42.445 8.829 1.00 64.03 C +ATOM 422 O LEU A 62 -43.511 -41.669 9.512 1.00 62.07 O +ATOM 423 CB LEU A 62 -40.806 -43.312 10.061 1.00 64.72 C +ATOM 424 CG LEU A 62 -39.277 -43.529 10.089 1.00 61.98 C +ATOM 425 CD1 LEU A 62 -38.890 -44.287 11.357 1.00 60.01 C +ATOM 426 CD2 LEU A 62 -38.788 -44.323 8.881 1.00 58.44 C +ATOM 427 N ALA A 63 -43.392 -43.308 7.994 1.00 70.12 N +ATOM 428 CA ALA A 63 -44.841 -43.486 7.954 1.00 71.98 C +ATOM 429 C ALA A 63 -45.352 -43.930 9.331 1.00 70.79 C +ATOM 430 O ALA A 63 -44.744 -44.774 9.988 1.00 67.05 O +ATOM 431 CB ALA A 63 -45.195 -44.496 6.855 1.00 68.72 C +ATOM 432 N GLY A 64 -46.504 -43.367 9.733 1.00 60.96 N +ATOM 433 CA GLY A 64 -47.168 -43.798 10.954 1.00 62.19 C +ATOM 434 C GLY A 64 -47.493 -45.292 10.914 1.00 62.21 C +ATOM 435 O GLY A 64 -47.805 -45.844 9.857 1.00 60.40 O +ATOM 436 N LYS A 65 -47.383 -45.935 12.068 1.00 62.33 N +ATOM 437 CA LYS A 65 -47.707 -47.362 12.176 1.00 67.08 C +ATOM 438 C LYS A 65 -49.169 -47.576 11.797 1.00 64.44 C +ATOM 439 O LYS A 65 -50.030 -46.767 12.125 1.00 64.06 O +ATOM 440 CB LYS A 65 -47.412 -47.889 13.584 1.00 64.80 C +ATOM 441 CG LYS A 65 -45.908 -47.886 13.920 1.00 60.67 C +ATOM 442 CD LYS A 65 -45.679 -48.475 15.314 1.00 59.26 C +ATOM 443 CE LYS A 65 -44.194 -48.463 15.681 1.00 55.74 C +ATOM 444 NZ LYS A 65 -43.982 -49.001 17.048 1.00 49.82 N +ATOM 445 N ALA A 66 -49.444 -48.662 11.093 1.00 69.90 N +ATOM 446 CA ALA A 66 -50.826 -49.058 10.855 1.00 72.62 C +ATOM 447 C ALA A 66 -51.537 -49.300 12.197 1.00 71.93 C +ATOM 448 O ALA A 66 -50.938 -49.843 13.124 1.00 68.10 O +ATOM 449 CB ALA A 66 -50.848 -50.303 9.958 1.00 69.38 C +ATOM 450 N GLY A 67 -52.814 -48.897 12.264 1.00 62.75 N +ATOM 451 CA GLY A 67 -53.642 -49.181 13.432 1.00 64.53 C +ATOM 452 C GLY A 67 -53.784 -50.688 13.669 1.00 65.35 C +ATOM 453 O GLY A 67 -53.777 -51.479 12.720 1.00 63.63 O +ATOM 454 N GLU A 68 -53.896 -51.067 14.925 1.00 56.39 N +ATOM 455 CA GLU A 68 -54.081 -52.460 15.296 1.00 61.52 C +ATOM 456 C GLU A 68 -55.391 -53.005 14.711 1.00 58.73 C +ATOM 457 O GLU A 68 -56.386 -52.283 14.556 1.00 58.01 O +ATOM 458 CB GLU A 68 -54.018 -52.653 16.824 1.00 60.76 C +ATOM 459 CG GLU A 68 -52.611 -52.332 17.367 1.00 57.16 C +ATOM 460 CD GLU A 68 -52.437 -52.643 18.863 1.00 54.67 C +ATOM 461 OE1 GLU A 68 -51.260 -52.703 19.298 1.00 53.03 O +ATOM 462 OE2 GLU A 68 -53.457 -52.820 19.566 1.00 52.52 O +ATOM 463 N ALA A 69 -55.380 -54.278 14.330 1.00 67.88 N +ATOM 464 CA ALA A 69 -56.598 -54.927 13.864 1.00 69.90 C +ATOM 465 C ALA A 69 -57.656 -54.919 14.977 1.00 69.08 C +ATOM 466 O ALA A 69 -57.340 -55.163 16.140 1.00 65.40 O +ATOM 467 CB ALA A 69 -56.274 -56.353 13.386 1.00 67.40 C +ATOM 468 N GLY A 70 -58.901 -54.668 14.590 1.00 59.25 N +ATOM 469 CA GLY A 70 -60.002 -54.720 15.543 1.00 60.63 C +ATOM 470 C GLY A 70 -60.094 -56.083 16.232 1.00 60.99 C +ATOM 471 O GLY A 70 -59.831 -57.119 15.627 1.00 59.06 O +ATOM 472 N ALA A 71 -60.495 -56.056 17.493 1.00 59.18 N +ATOM 473 CA ALA A 71 -60.667 -57.283 18.269 1.00 63.91 C +ATOM 474 C ALA A 71 -61.684 -58.218 17.594 1.00 63.36 C +ATOM 475 O ALA A 71 -62.652 -57.780 16.968 1.00 62.16 O +ATOM 476 CB ALA A 71 -61.069 -56.917 19.701 1.00 61.91 C +ATOM 477 N LYS A 72 -61.424 -59.499 17.713 1.00 61.54 N +ATOM 478 CA LYS A 72 -62.382 -60.490 17.223 1.00 66.92 C +ATOM 479 C LYS A 72 -63.715 -60.303 17.950 1.00 64.84 C +ATOM 480 O LYS A 72 -63.738 -60.191 19.167 1.00 62.56 O +ATOM 481 CB LYS A 72 -61.793 -61.897 17.426 1.00 64.30 C +ATOM 482 CG LYS A 72 -62.678 -62.990 16.833 1.00 60.51 C +ATOM 483 CD LYS A 72 -62.013 -64.355 17.001 1.00 60.26 C +ATOM 484 CE LYS A 72 -62.900 -65.461 16.413 1.00 57.87 C +ATOM 485 NZ LYS A 72 -62.286 -66.789 16.565 1.00 52.18 N +ATOM 486 N GLY A 73 -64.817 -60.304 17.197 1.00 60.78 N +ATOM 487 CA GLY A 73 -66.147 -60.211 17.791 1.00 62.24 C +ATOM 488 C GLY A 73 -66.408 -61.345 18.775 1.00 63.28 C +ATOM 489 O GLY A 73 -65.953 -62.473 18.584 1.00 61.30 O +ATOM 490 N GLU A 74 -67.163 -61.036 19.836 1.00 54.08 N +ATOM 491 CA GLU A 74 -67.540 -62.019 20.838 1.00 58.83 C +ATOM 492 C GLU A 74 -68.394 -63.138 20.225 1.00 57.19 C +ATOM 493 O GLU A 74 -69.127 -62.946 19.253 1.00 56.34 O +ATOM 494 CB GLU A 74 -68.271 -61.356 22.011 1.00 57.89 C +ATOM 495 CG GLU A 74 -67.371 -60.366 22.781 1.00 54.30 C +ATOM 496 CD GLU A 74 -68.038 -59.791 24.044 1.00 51.56 C +ATOM 497 OE1 GLU A 74 -67.292 -59.238 24.878 1.00 50.55 O +ATOM 498 OE2 GLU A 74 -69.282 -59.917 24.162 1.00 49.40 O +ATOM 499 N THR A 75 -68.255 -64.326 20.766 1.00 64.96 N +ATOM 500 CA THR A 75 -69.103 -65.455 20.358 1.00 66.12 C +ATOM 501 C THR A 75 -70.557 -65.146 20.707 1.00 63.61 C +ATOM 502 O THR A 75 -70.847 -64.728 21.826 1.00 60.78 O +ATOM 503 CB THR A 75 -68.645 -66.757 21.027 1.00 65.09 C +ATOM 504 OG1 THR A 75 -67.290 -67.001 20.719 1.00 61.69 O +ATOM 505 CG2 THR A 75 -69.426 -67.980 20.569 1.00 61.58 C +ATOM 506 N GLY A 76 -71.432 -65.328 19.744 1.00 61.25 N +ATOM 507 CA GLY A 76 -72.856 -65.134 19.999 1.00 61.73 C +ATOM 508 C GLY A 76 -73.357 -66.001 21.156 1.00 62.01 C +ATOM 509 O GLY A 76 -72.832 -67.093 21.387 1.00 60.59 O +ATOM 510 N PRO A 77 -74.395 -65.550 21.885 1.00 60.99 N +ATOM 511 CA PRO A 77 -74.965 -66.312 22.989 1.00 63.42 C +ATOM 512 C PRO A 77 -75.511 -67.663 22.496 1.00 61.56 C +ATOM 513 O PRO A 77 -75.917 -67.805 21.339 1.00 60.36 O +ATOM 514 CB PRO A 77 -76.061 -65.424 23.594 1.00 62.67 C +ATOM 515 CG PRO A 77 -76.482 -64.547 22.416 1.00 61.02 C +ATOM 516 CD PRO A 77 -75.170 -64.344 21.650 1.00 63.86 C +ATOM 517 N ALA A 78 -75.552 -68.652 23.388 1.00 62.09 N +ATOM 518 CA ALA A 78 -76.200 -69.916 23.076 1.00 63.92 C +ATOM 519 C ALA A 78 -77.680 -69.706 22.710 1.00 62.55 C +ATOM 520 O ALA A 78 -78.366 -68.882 23.318 1.00 59.85 O +ATOM 521 CB ALA A 78 -76.038 -70.882 24.262 1.00 62.69 C +ATOM 522 N GLY A 79 -78.126 -70.439 21.724 1.00 59.87 N +ATOM 523 CA GLY A 79 -79.535 -70.401 21.350 1.00 61.09 C +ATOM 524 C GLY A 79 -80.444 -70.804 22.517 1.00 61.91 C +ATOM 525 O GLY A 79 -80.033 -71.558 23.403 1.00 60.90 O +ATOM 526 N PRO A 80 -81.693 -70.333 22.545 1.00 62.75 N +ATOM 527 CA PRO A 80 -82.635 -70.677 23.596 1.00 65.35 C +ATOM 528 C PRO A 80 -82.883 -72.192 23.614 1.00 64.79 C +ATOM 529 O PRO A 80 -82.837 -72.864 22.580 1.00 63.67 O +ATOM 530 CB PRO A 80 -83.914 -69.884 23.290 1.00 64.07 C +ATOM 531 CG PRO A 80 -83.845 -69.669 21.778 1.00 61.50 C +ATOM 532 CD PRO A 80 -82.350 -69.524 21.514 1.00 63.85 C +ATOM 533 N GLN A 81 -83.174 -72.703 24.792 1.00 60.04 N +ATOM 534 CA GLN A 81 -83.577 -74.106 24.926 1.00 62.82 C +ATOM 535 C GLN A 81 -84.837 -74.372 24.095 1.00 61.48 C +ATOM 536 O GLN A 81 -85.776 -73.571 24.098 1.00 58.97 O +ATOM 537 CB GLN A 81 -83.779 -74.423 26.411 1.00 61.75 C +ATOM 538 CG GLN A 81 -84.063 -75.911 26.668 1.00 58.46 C +ATOM 539 CD GLN A 81 -84.178 -76.255 28.153 1.00 56.82 C +ATOM 540 OE1 GLN A 81 -83.989 -75.449 29.032 1.00 57.40 O +ATOM 541 NE2 GLN A 81 -84.506 -77.487 28.486 1.00 52.83 N +ATOM 542 N GLY A 82 -84.823 -75.473 23.376 1.00 60.28 N +ATOM 543 CA GLY A 82 -85.988 -75.889 22.605 1.00 61.55 C +ATOM 544 C GLY A 82 -87.235 -76.028 23.483 1.00 63.22 C +ATOM 545 O GLY A 82 -87.137 -76.319 24.675 1.00 62.07 O +ATOM 546 N PRO A 83 -88.437 -75.834 22.917 1.00 62.99 N +ATOM 547 CA PRO A 83 -89.671 -75.961 23.672 1.00 65.69 C +ATOM 548 C PRO A 83 -89.799 -77.384 24.247 1.00 65.45 C +ATOM 549 O PRO A 83 -89.353 -78.365 23.645 1.00 64.23 O +ATOM 550 CB PRO A 83 -90.801 -75.627 22.683 1.00 64.05 C +ATOM 551 CG PRO A 83 -90.192 -75.963 21.324 1.00 61.06 C +ATOM 552 CD PRO A 83 -88.713 -75.602 21.500 1.00 63.02 C +ATOM 553 N ARG A 84 -90.395 -77.455 25.394 1.00 62.35 N +ATOM 554 CA ARG A 84 -90.699 -78.759 25.988 1.00 65.69 C +ATOM 555 C ARG A 84 -91.614 -79.554 25.065 1.00 64.07 C +ATOM 556 O ARG A 84 -92.587 -79.013 24.560 1.00 61.62 O +ATOM 557 CB ARG A 84 -91.326 -78.545 27.371 1.00 63.87 C +ATOM 558 CG ARG A 84 -91.535 -79.865 28.113 1.00 59.36 C +ATOM 559 CD ARG A 84 -92.066 -79.606 29.516 1.00 59.83 C +ATOM 560 NE ARG A 84 -92.161 -80.853 30.272 1.00 59.27 N +ATOM 561 CZ ARG A 84 -92.440 -80.979 31.553 1.00 53.31 C +ATOM 562 NH1 ARG A 84 -92.750 -79.944 32.301 1.00 53.93 N +ATOM 563 NH2 ARG A 84 -92.408 -82.144 32.124 1.00 53.25 N +ATOM 564 N GLY A 85 -91.284 -80.809 24.876 1.00 61.88 N +ATOM 565 CA GLY A 85 -92.116 -81.704 24.080 1.00 62.58 C +ATOM 566 C GLY A 85 -93.564 -81.732 24.576 1.00 64.21 C +ATOM 567 O GLY A 85 -93.832 -81.634 25.778 1.00 62.38 O +ATOM 568 N GLU A 86 -94.475 -81.830 23.640 1.00 55.98 N +ATOM 569 CA GLU A 86 -95.891 -81.906 23.967 1.00 59.77 C +ATOM 570 C GLU A 86 -96.204 -83.109 24.866 1.00 59.01 C +ATOM 571 O GLU A 86 -95.592 -84.183 24.774 1.00 57.92 O +ATOM 572 CB GLU A 86 -96.753 -81.953 22.693 1.00 58.37 C +ATOM 573 CG GLU A 86 -96.642 -80.661 21.859 1.00 53.45 C +ATOM 574 CD GLU A 86 -97.598 -80.623 20.648 1.00 50.69 C +ATOM 575 OE1 GLU A 86 -97.775 -79.502 20.093 1.00 48.81 O +ATOM 576 OE2 GLU A 86 -98.153 -81.684 20.295 1.00 47.00 O +ATOM 577 N GLN A 87 -97.132 -82.915 25.744 1.00 59.85 N +ATOM 578 CA GLN A 87 -97.577 -84.019 26.600 1.00 61.38 C +ATOM 579 C GLN A 87 -98.183 -85.130 25.740 1.00 59.15 C +ATOM 580 O GLN A 87 -99.008 -84.874 24.871 1.00 56.75 O +ATOM 581 CB GLN A 87 -98.576 -83.469 27.635 1.00 60.54 C +ATOM 582 CG GLN A 87 -98.998 -84.540 28.649 1.00 56.73 C +ATOM 583 CD GLN A 87 -99.922 -84.015 29.737 1.00 55.33 C +ATOM 584 OE1 GLN A 87 -100.214 -82.848 29.880 1.00 56.53 O +ATOM 585 NE2 GLN A 87 -100.437 -84.883 30.585 1.00 52.08 N +ATOM 586 N GLY A 88 -97.741 -86.347 25.991 1.00 57.19 N +ATOM 587 CA GLY A 88 -98.307 -87.499 25.304 1.00 57.68 C +ATOM 588 C GLY A 88 -99.834 -87.562 25.432 1.00 57.91 C +ATOM 589 O GLY A 88 -100.394 -87.151 26.461 1.00 56.35 O +ATOM 590 N PRO A 89 -100.507 -88.036 24.413 1.00 57.19 N +ATOM 591 CA PRO A 89 -101.953 -88.110 24.429 1.00 59.39 C +ATOM 592 C PRO A 89 -102.438 -88.955 25.618 1.00 57.57 C +ATOM 593 O PRO A 89 -101.808 -89.937 26.018 1.00 56.36 O +ATOM 594 CB PRO A 89 -102.355 -88.709 23.077 1.00 59.00 C +ATOM 595 CG PRO A 89 -101.121 -89.500 22.652 1.00 56.65 C +ATOM 596 CD PRO A 89 -99.964 -88.664 23.206 1.00 58.01 C +ATOM 597 N GLN A 90 -103.523 -88.513 26.135 1.00 56.02 N +ATOM 598 CA GLN A 90 -104.149 -89.292 27.196 1.00 58.34 C +ATOM 599 C GLN A 90 -104.538 -90.681 26.673 1.00 56.56 C +ATOM 600 O GLN A 90 -105.089 -90.805 25.585 1.00 54.75 O +ATOM 601 CB GLN A 90 -105.361 -88.517 27.731 1.00 57.77 C +ATOM 602 CG GLN A 90 -106.017 -89.200 28.944 1.00 53.96 C +ATOM 603 CD GLN A 90 -107.155 -88.390 29.553 1.00 52.96 C +ATOM 604 OE1 GLN A 90 -107.419 -87.244 29.245 1.00 52.76 O +ATOM 605 NE2 GLN A 90 -107.890 -88.951 30.492 1.00 48.69 N +ATOM 606 N GLY A 91 -104.223 -91.676 27.455 1.00 50.83 N +ATOM 607 CA GLY A 91 -104.636 -93.037 27.130 1.00 51.91 C +ATOM 608 C GLY A 91 -106.151 -93.124 26.881 1.00 51.63 C +ATOM 609 O GLY A 91 -106.946 -92.458 27.554 1.00 50.75 O +ATOM 610 N LEU A 92 -106.518 -93.902 25.879 1.00 51.43 N +ATOM 611 CA LEU A 92 -107.929 -94.090 25.552 1.00 54.05 C +ATOM 612 C LEU A 92 -108.687 -94.670 26.761 1.00 53.00 C +ATOM 613 O LEU A 92 -108.144 -95.488 27.501 1.00 52.37 O +ATOM 614 CB LEU A 92 -108.073 -95.005 24.325 1.00 53.52 C +ATOM 615 CG LEU A 92 -107.504 -94.417 23.012 1.00 50.94 C +ATOM 616 CD1 LEU A 92 -107.572 -95.461 21.899 1.00 49.65 C +ATOM 617 CD2 LEU A 92 -108.275 -93.177 22.555 1.00 48.53 C +ATOM 618 N PRO A 93 -109.904 -94.243 26.929 1.00 55.50 N +ATOM 619 CA PRO A 93 -110.742 -94.845 27.966 1.00 56.73 C +ATOM 620 C PRO A 93 -110.831 -96.367 27.772 1.00 54.37 C +ATOM 621 O PRO A 93 -110.982 -96.842 26.644 1.00 53.95 O +ATOM 622 CB PRO A 93 -112.128 -94.188 27.834 1.00 57.44 C +ATOM 623 CG PRO A 93 -111.857 -92.880 27.116 1.00 55.14 C +ATOM 624 CD PRO A 93 -110.665 -93.186 26.232 1.00 57.44 C +ATOM 625 N GLY A 94 -110.712 -97.044 28.850 1.00 49.63 N +ATOM 626 CA GLY A 94 -110.932 -98.484 28.820 1.00 50.97 C +ATOM 627 C GLY A 94 -112.278 -98.825 28.172 1.00 50.94 C +ATOM 628 O GLY A 94 -113.268 -98.095 28.333 1.00 50.03 O +ATOM 629 N ALA A 95 -112.323 -99.915 27.424 1.00 48.81 N +ATOM 630 CA ALA A 95 -113.546-100.379 26.788 1.00 51.10 C +ATOM 631 C ALA A 95 -114.653-100.562 27.837 1.00 50.69 C +ATOM 632 O ALA A 95 -114.420-101.050 28.949 1.00 49.88 O +ATOM 633 CB ALA A 95 -113.250-101.669 26.006 1.00 50.39 C +ATOM 634 N ARG A 96 -115.780-100.104 27.450 1.00 51.58 N +ATOM 635 CA ARG A 96 -116.932-100.274 28.331 1.00 53.55 C +ATOM 636 C ARG A 96 -117.202-101.758 28.526 1.00 52.61 C +ATOM 637 O ARG A 96 -117.460-102.456 27.557 1.00 51.99 O +ATOM 638 CB ARG A 96 -118.140 -99.535 27.733 1.00 53.09 C +ATOM 639 CG ARG A 96 -119.345 -99.514 28.686 1.00 46.80 C +ATOM 640 CD ARG A 96 -120.468 -98.692 28.078 1.00 46.90 C +ATOM 641 NE ARG A 96 -121.602 -98.530 28.997 1.00 45.69 N +ATOM 642 CZ ARG A 96 -122.683 -97.823 28.794 1.00 42.05 C +ATOM 643 NH1 ARG A 96 -122.885 -97.176 27.672 1.00 42.95 N +ATOM 644 NH2 ARG A 96 -123.610 -97.730 29.706 1.00 42.04 N +ATOM 645 N GLY A 97 -117.141-102.176 29.784 1.00 49.68 N +ATOM 646 CA GLY A 97 -117.478-103.542 30.132 1.00 51.19 C +ATOM 647 C GLY A 97 -118.929-103.866 29.784 1.00 51.80 C +ATOM 648 O GLY A 97 -119.822-103.022 29.905 1.00 50.11 O +ATOM 649 N GLU A 98 -119.120-105.066 29.341 1.00 47.00 N +ATOM 650 CA GLU A 98 -120.464-105.580 29.192 1.00 50.20 C +ATOM 651 C GLU A 98 -121.173-105.622 30.558 1.00 49.54 C +ATOM 652 O GLU A 98 -120.536-105.751 31.604 1.00 48.85 O +ATOM 653 CB GLU A 98 -120.453-106.956 28.500 1.00 50.02 C +ATOM 654 CG GLU A 98 -119.975-106.846 27.043 1.00 45.47 C +ATOM 655 CD GLU A 98 -120.189-108.142 26.238 1.00 43.21 C +ATOM 656 OE1 GLU A 98 -120.213-108.041 24.992 1.00 41.12 O +ATOM 657 OE2 GLU A 98 -120.335-109.203 26.873 1.00 41.06 O +ATOM 658 N ARG A 99 -122.377-105.388 30.512 1.00 50.09 N +ATOM 659 CA ARG A 99 -123.190-105.145 31.706 1.00 52.64 C +ATOM 660 C ARG A 99 -122.838-106.066 32.881 1.00 51.78 C +ATOM 661 O ARG A 99 -123.258-107.209 32.890 1.00 50.54 O +ATOM 662 CB ARG A 99 -124.681-105.328 31.356 1.00 52.11 C +ATOM 663 CG ARG A 99 -125.258-104.220 30.472 1.00 46.46 C +ATOM 664 CD ARG A 99 -126.739-104.552 30.198 1.00 44.36 C +ATOM 665 NE ARG A 99 -127.370-103.511 29.378 1.00 42.09 N +ATOM 666 CZ ARG A 99 -128.573-103.585 28.825 1.00 37.53 C +ATOM 667 NH1 ARG A 99 -129.328-104.640 28.963 1.00 39.12 N +ATOM 668 NH2 ARG A 99 -129.046-102.590 28.120 1.00 37.94 N +ATOM 669 N ALA A 100 -122.044-105.486 33.819 1.00 49.35 N +ATOM 670 CA ALA A 100 -122.012-105.714 35.252 1.00 50.68 C +ATOM 671 C ALA A 100 -120.900-104.916 35.986 1.00 50.93 C +ATOM 672 O ALA A 100 -121.093-104.574 37.147 1.00 48.51 O +ATOM 673 CB ALA A 100 -121.895-107.193 35.593 1.00 48.26 C +ATOM 674 N PHE A 101 -119.764-104.575 35.333 1.00 48.57 N +ATOM 675 CA PHE A 101 -118.672-103.811 35.966 1.00 51.24 C +ATOM 676 C PHE A 101 -118.139-102.729 35.029 1.00 50.67 C +ATOM 677 O PHE A 101 -117.894-102.987 33.860 1.00 50.24 O +ATOM 678 CB PHE A 101 -117.553-104.774 36.405 1.00 50.66 C +ATOM 679 CG PHE A 101 -117.994-105.770 37.457 1.00 48.10 C +ATOM 680 CD1 PHE A 101 -118.068-105.398 38.807 1.00 45.44 C +ATOM 681 CD2 PHE A 101 -118.379-107.072 37.078 1.00 44.18 C +ATOM 682 CE1 PHE A 101 -118.531-106.302 39.772 1.00 41.06 C +ATOM 683 CE2 PHE A 101 -118.852-107.970 38.050 1.00 42.11 C +ATOM 684 CZ PHE A 101 -118.930-107.597 39.397 1.00 41.99 C +ATOM 685 N PRO A 102 -117.941-101.481 35.538 1.00 50.90 N +ATOM 686 CA PRO A 102 -117.271-100.456 34.737 1.00 52.86 C +ATOM 687 C PRO A 102 -115.816-100.859 34.486 1.00 52.26 C +ATOM 688 O PRO A 102 -115.117-101.272 35.408 1.00 52.20 O +ATOM 689 CB PRO A 102 -117.402 -99.157 35.533 1.00 53.51 C +ATOM 690 CG PRO A 102 -117.744 -99.591 36.947 1.00 51.41 C +ATOM 691 CD PRO A 102 -118.312-100.976 36.837 1.00 53.40 C +ATOM 692 N GLY A 103 -115.330-100.705 33.246 1.00 49.68 N +ATOM 693 CA GLY A 103 -113.940-100.924 32.886 1.00 51.86 C +ATOM 694 C GLY A 103 -113.030 -99.921 33.582 1.00 52.61 C +ATOM 695 O GLY A 103 -113.426 -98.767 33.828 1.00 51.34 O +ATOM 696 N GLU A 104 -111.780-100.312 33.893 1.00 48.01 N +ATOM 697 CA GLU A 104 -110.768 -99.428 34.472 1.00 51.74 C +ATOM 698 C GLU A 104 -110.442 -98.266 33.543 1.00 51.41 C +ATOM 699 O GLU A 104 -110.423 -98.385 32.309 1.00 51.30 O +ATOM 700 CB GLU A 104 -109.499-100.218 34.847 1.00 51.61 C +ATOM 701 CG GLU A 104 -109.744-101.226 35.974 1.00 47.37 C +ATOM 702 CD GLU A 104 -108.463-101.900 36.495 1.00 44.98 C +ATOM 703 OE1 GLU A 104 -108.496-102.390 37.647 1.00 44.02 O +ATOM 704 OE2 GLU A 104 -107.459-101.904 35.744 1.00 42.91 O +ATOM 705 N ARG A 105 -110.195 -97.108 34.144 1.00 55.47 N +ATOM 706 CA ARG A 105 -109.775 -95.930 33.383 1.00 57.67 C +ATOM 707 C ARG A 105 -108.414 -96.203 32.779 1.00 55.88 C +ATOM 708 O ARG A 105 -107.503 -96.634 33.473 1.00 54.56 O +ATOM 709 CB ARG A 105 -109.775 -94.687 34.297 1.00 57.24 C +ATOM 710 CG ARG A 105 -109.373 -93.410 33.554 1.00 52.25 C +ATOM 711 CD ARG A 105 -109.345 -92.177 34.469 1.00 52.17 C +ATOM 712 NE ARG A 105 -110.692 -91.757 34.884 1.00 51.91 N +ATOM 713 CZ ARG A 105 -110.986 -90.749 35.685 1.00 46.55 C +ATOM 714 NH1 ARG A 105 -110.071 -90.009 36.226 1.00 47.67 N +ATOM 715 NH2 ARG A 105 -112.240 -90.473 35.981 1.00 47.09 N +ATOM 716 N GLY A 106 -108.251 -95.920 31.515 1.00 51.60 N +ATOM 717 CA GLY A 106 -106.965 -96.030 30.844 1.00 52.91 C +ATOM 718 C GLY A 106 -105.895 -95.187 31.547 1.00 52.85 C +ATOM 719 O GLY A 106 -106.160 -94.065 31.992 1.00 51.53 O +ATOM 720 N VAL A 107 -104.688 -95.727 31.660 1.00 53.07 N +ATOM 721 CA VAL A 107 -103.547 -95.005 32.232 1.00 56.37 C +ATOM 722 C VAL A 107 -103.160 -93.818 31.348 1.00 55.09 C +ATOM 723 O VAL A 107 -103.195 -93.888 30.120 1.00 53.98 O +ATOM 724 CB VAL A 107 -102.343 -95.936 32.499 1.00 55.77 C +ATOM 725 CG1 VAL A 107 -102.608 -96.826 33.706 1.00 52.08 C +ATOM 726 CG2 VAL A 107 -101.978 -96.822 31.315 1.00 52.02 C +ATOM 727 N GLN A 108 -102.792 -92.680 31.965 1.00 56.02 N +ATOM 728 CA GLN A 108 -102.327 -91.499 31.247 1.00 58.34 C +ATOM 729 C GLN A 108 -101.007 -91.798 30.550 1.00 56.68 C +ATOM 730 O GLN A 108 -100.114 -92.416 31.131 1.00 54.80 O +ATOM 731 CB GLN A 108 -102.219 -90.328 32.251 1.00 57.33 C +ATOM 732 CG GLN A 108 -101.828 -89.004 31.579 1.00 53.37 C +ATOM 733 CD GLN A 108 -101.869 -87.817 32.542 1.00 51.90 C +ATOM 734 OE1 GLN A 108 -102.224 -87.906 33.715 1.00 52.56 O +ATOM 735 NE2 GLN A 108 -101.530 -86.632 32.080 1.00 48.70 N +ATOM 736 N GLY A 109 -100.855 -91.389 29.322 1.00 55.09 N +ATOM 737 CA GLY A 109 -99.608 -91.505 28.584 1.00 56.18 C +ATOM 738 C GLY A 109 -98.461 -90.770 29.291 1.00 56.21 C +ATOM 739 O GLY A 109 -98.705 -89.763 29.967 1.00 54.80 O +ATOM 740 N PRO A 110 -97.233 -91.239 29.175 1.00 54.96 N +ATOM 741 CA PRO A 110 -96.085 -90.576 29.778 1.00 57.39 C +ATOM 742 C PRO A 110 -95.926 -89.148 29.232 1.00 55.12 C +ATOM 743 O PRO A 110 -96.307 -88.887 28.081 1.00 54.44 O +ATOM 744 CB PRO A 110 -94.881 -91.461 29.447 1.00 57.51 C +ATOM 745 CG PRO A 110 -95.291 -92.171 28.170 1.00 55.66 C +ATOM 746 CD PRO A 110 -96.793 -92.356 28.350 1.00 56.38 C +ATOM 747 N PRO A 111 -95.317 -88.207 30.001 1.00 55.59 N +ATOM 748 CA PRO A 111 -94.972 -86.884 29.501 1.00 57.56 C +ATOM 749 C PRO A 111 -94.078 -86.973 28.256 1.00 54.87 C +ATOM 750 O PRO A 111 -93.226 -87.866 28.165 1.00 54.52 O +ATOM 751 CB PRO A 111 -94.254 -86.163 30.649 1.00 58.99 C +ATOM 752 CG PRO A 111 -94.733 -86.890 31.895 1.00 56.28 C +ATOM 753 CD PRO A 111 -94.948 -88.311 31.417 1.00 59.11 C +ATOM 754 N GLY A 112 -94.250 -86.063 27.344 1.00 54.52 N +ATOM 755 CA GLY A 112 -93.337 -85.900 26.219 1.00 56.22 C +ATOM 756 C GLY A 112 -91.920 -85.594 26.690 1.00 57.16 C +ATOM 757 O GLY A 112 -91.725 -84.968 27.745 1.00 55.48 O +ATOM 758 N LYS A 113 -90.902 -86.012 25.928 1.00 55.79 N +ATOM 759 CA LYS A 113 -89.497 -85.707 26.228 1.00 60.13 C +ATOM 760 C LYS A 113 -89.252 -84.206 26.112 1.00 59.48 C +ATOM 761 O LYS A 113 -89.856 -83.544 25.270 1.00 58.24 O +ATOM 762 CB LYS A 113 -88.560 -86.482 25.295 1.00 58.10 C +ATOM 763 CG LYS A 113 -88.642 -88.000 25.484 1.00 53.57 C +ATOM 764 CD LYS A 113 -87.646 -88.706 24.557 1.00 51.81 C +ATOM 765 CE LYS A 113 -87.742 -90.220 24.695 1.00 48.80 C +ATOM 766 NZ LYS A 113 -86.812 -90.913 23.780 1.00 44.08 N +ATOM 767 N ASP A 114 -88.348 -83.698 26.939 1.00 60.32 N +ATOM 768 CA ASP A 114 -87.913 -82.314 26.802 1.00 63.37 C +ATOM 769 C ASP A 114 -87.308 -82.078 25.413 1.00 62.03 C +ATOM 770 O ASP A 114 -86.667 -82.961 24.830 1.00 59.06 O +ATOM 771 CB ASP A 114 -86.912 -81.963 27.918 1.00 61.19 C +ATOM 772 CG ASP A 114 -87.529 -81.927 29.318 1.00 57.72 C +ATOM 773 OD1 ASP A 114 -88.750 -81.703 29.435 1.00 55.78 O +ATOM 774 OD2 ASP A 114 -86.768 -82.118 30.286 1.00 54.78 O +ATOM 775 N GLY A 115 -87.512 -80.876 24.855 1.00 58.79 N +ATOM 776 CA GLY A 115 -86.937 -80.462 23.591 1.00 59.89 C +ATOM 777 C GLY A 115 -85.411 -80.407 23.658 1.00 60.74 C +ATOM 778 O GLY A 115 -84.831 -80.125 24.715 1.00 58.74 O +ATOM 779 N GLU A 116 -84.778 -80.648 22.544 1.00 53.65 N +ATOM 780 CA GLU A 116 -83.324 -80.545 22.444 1.00 57.11 C +ATOM 781 C GLU A 116 -82.836 -79.118 22.723 1.00 55.51 C +ATOM 782 O GLU A 116 -83.524 -78.127 22.450 1.00 54.73 O +ATOM 783 CB GLU A 116 -82.829 -81.041 21.067 1.00 56.43 C +ATOM 784 CG GLU A 116 -83.112 -82.538 20.863 1.00 52.14 C +ATOM 785 CD GLU A 116 -82.539 -83.125 19.548 1.00 49.77 C +ATOM 786 OE1 GLU A 116 -82.471 -84.373 19.469 1.00 48.50 O +ATOM 787 OE2 GLU A 116 -82.182 -82.325 18.654 1.00 47.13 O +ATOM 788 N ALA A 117 -81.623 -78.996 23.283 1.00 60.78 N +ATOM 789 CA ALA A 117 -81.011 -77.687 23.492 1.00 62.23 C +ATOM 790 C ALA A 117 -80.841 -76.951 22.154 1.00 60.98 C +ATOM 791 O ALA A 117 -80.470 -77.554 21.150 1.00 58.44 O +ATOM 792 CB ALA A 117 -79.675 -77.866 24.230 1.00 60.85 C +ATOM 793 N GLY A 118 -81.115 -75.670 22.168 1.00 54.76 N +ATOM 794 CA GLY A 118 -80.928 -74.827 20.990 1.00 56.63 C +ATOM 795 C GLY A 118 -79.476 -74.858 20.499 1.00 57.16 C +ATOM 796 O GLY A 118 -78.533 -74.933 21.291 1.00 55.80 O +ATOM 797 N ALA A 119 -79.290 -74.769 19.194 1.00 56.82 N +ATOM 798 CA ALA A 119 -77.965 -74.698 18.599 1.00 60.66 C +ATOM 799 C ALA A 119 -77.188 -73.471 19.111 1.00 59.84 C +ATOM 800 O ALA A 119 -77.767 -72.431 19.436 1.00 58.41 O +ATOM 801 CB ALA A 119 -78.110 -74.687 17.063 1.00 59.27 C +ATOM 802 N GLN A 120 -75.856 -73.579 19.165 1.00 55.40 N +ATOM 803 CA GLN A 120 -74.989 -72.455 19.522 1.00 59.13 C +ATOM 804 C GLN A 120 -75.183 -71.305 18.536 1.00 57.49 C +ATOM 805 O GLN A 120 -75.241 -71.516 17.325 1.00 55.54 O +ATOM 806 CB GLN A 120 -73.523 -72.944 19.569 1.00 58.67 C +ATOM 807 CG GLN A 120 -72.552 -71.839 20.033 1.00 55.67 C +ATOM 808 CD GLN A 120 -71.112 -72.338 20.186 1.00 53.94 C +ATOM 809 OE1 GLN A 120 -70.791 -73.508 20.101 1.00 55.10 O +ATOM 810 NE2 GLN A 120 -70.164 -71.442 20.435 1.00 50.85 N +ATOM 811 N GLY A 121 -75.300 -70.098 19.044 1.00 54.35 N +ATOM 812 CA GLY A 121 -75.406 -68.895 18.220 1.00 56.48 C +ATOM 813 C GLY A 121 -74.194 -68.721 17.293 1.00 57.24 C +ATOM 814 O GLY A 121 -73.091 -69.177 17.624 1.00 55.99 O +ATOM 815 N PRO A 122 -74.362 -68.050 16.161 1.00 58.09 N +ATOM 816 CA PRO A 122 -73.266 -67.782 15.249 1.00 60.70 C +ATOM 817 C PRO A 122 -72.177 -66.930 15.925 1.00 58.95 C +ATOM 818 O PRO A 122 -72.454 -66.153 16.845 1.00 57.78 O +ATOM 819 CB PRO A 122 -73.896 -67.075 14.039 1.00 60.04 C +ATOM 820 CG PRO A 122 -75.118 -66.392 14.632 1.00 58.17 C +ATOM 821 CD PRO A 122 -75.569 -67.379 15.712 1.00 60.36 C +ATOM 822 N ALA A 123 -70.931 -67.033 15.432 1.00 59.58 N +ATOM 823 CA ALA A 123 -69.860 -66.150 15.879 1.00 61.61 C +ATOM 824 C ALA A 123 -70.210 -64.681 15.580 1.00 60.29 C +ATOM 825 O ALA A 123 -70.757 -64.373 14.528 1.00 57.60 O +ATOM 826 CB ALA A 123 -68.543 -66.564 15.213 1.00 60.33 C +ATOM 827 N GLY A 124 -69.879 -63.793 16.496 1.00 55.66 N +ATOM 828 CA GLY A 124 -70.045 -62.360 16.303 1.00 57.95 C +ATOM 829 C GLY A 124 -69.257 -61.853 15.089 1.00 58.40 C +ATOM 830 O GLY A 124 -68.241 -62.450 14.715 1.00 57.30 O +ATOM 831 N PRO A 125 -69.705 -60.769 14.499 1.00 58.34 N +ATOM 832 CA PRO A 125 -68.990 -60.169 13.380 1.00 61.60 C +ATOM 833 C PRO A 125 -67.576 -59.762 13.799 1.00 60.06 C +ATOM 834 O PRO A 125 -67.313 -59.429 14.960 1.00 59.24 O +ATOM 835 CB PRO A 125 -69.842 -58.970 12.931 1.00 60.89 C +ATOM 836 CG PRO A 125 -70.577 -58.570 14.206 1.00 58.77 C +ATOM 837 CD PRO A 125 -70.810 -59.911 14.901 1.00 61.45 C +ATOM 838 N MET A 126 -66.632 -59.772 12.832 1.00 62.25 N +ATOM 839 CA MET A 126 -65.285 -59.250 13.066 1.00 64.53 C +ATOM 840 C MET A 126 -65.351 -57.760 13.402 1.00 64.37 C +ATOM 841 O MET A 126 -66.104 -57.016 12.777 1.00 60.78 O +ATOM 842 CB MET A 126 -64.414 -59.531 11.836 1.00 62.15 C +ATOM 843 CG MET A 126 -62.942 -59.185 12.079 1.00 57.04 C +ATOM 844 SD MET A 126 -61.789 -59.940 10.871 1.00 54.61 S +ATOM 845 CE MET A 126 -62.361 -59.191 9.339 1.00 52.15 C +ATOM 846 N GLY A 127 -64.582 -57.326 14.381 1.00 56.26 N +ATOM 847 CA GLY A 127 -64.474 -55.919 14.734 1.00 58.37 C +ATOM 848 C GLY A 127 -63.996 -55.064 13.554 1.00 58.81 C +ATOM 849 O GLY A 127 -63.353 -55.575 12.642 1.00 57.40 O +ATOM 850 N PRO A 128 -64.307 -53.774 13.571 1.00 60.67 N +ATOM 851 CA PRO A 128 -63.849 -52.873 12.521 1.00 64.32 C +ATOM 852 C PRO A 128 -62.323 -52.851 12.457 1.00 63.26 C +ATOM 853 O PRO A 128 -61.632 -53.074 13.450 1.00 61.89 O +ATOM 854 CB PRO A 128 -64.438 -51.496 12.865 1.00 62.99 C +ATOM 855 CG PRO A 128 -64.610 -51.558 14.373 1.00 61.22 C +ATOM 856 CD PRO A 128 -64.978 -53.022 14.626 1.00 64.12 C +ATOM 857 N ALA A 129 -61.784 -52.579 11.252 1.00 66.59 N +ATOM 858 CA ALA A 129 -60.350 -52.379 11.105 1.00 68.80 C +ATOM 859 C ALA A 129 -59.894 -51.177 11.941 1.00 68.86 C +ATOM 860 O ALA A 129 -60.592 -50.167 12.001 1.00 66.09 O +ATOM 861 CB ALA A 129 -60.005 -52.197 9.616 1.00 65.71 C +ATOM 862 N GLY A 130 -58.729 -51.294 12.549 1.00 57.68 N +ATOM 863 CA GLY A 130 -58.136 -50.182 13.276 1.00 60.13 C +ATOM 864 C GLY A 130 -57.902 -48.964 12.377 1.00 61.47 C +ATOM 865 O GLY A 130 -57.689 -49.093 11.173 1.00 59.75 O +ATOM 866 N GLU A 131 -57.964 -47.792 12.978 1.00 58.20 N +ATOM 867 CA GLU A 131 -57.704 -46.545 12.256 1.00 63.00 C +ATOM 868 C GLU A 131 -56.291 -46.532 11.669 1.00 62.43 C +ATOM 869 O GLU A 131 -55.336 -47.090 12.223 1.00 61.59 O +ATOM 870 CB GLU A 131 -57.941 -45.317 13.146 1.00 60.67 C +ATOM 871 CG GLU A 131 -59.430 -45.195 13.560 1.00 55.78 C +ATOM 872 CD GLU A 131 -59.754 -43.889 14.293 1.00 52.86 C +ATOM 873 OE1 GLU A 131 -60.971 -43.577 14.370 1.00 50.81 O +ATOM 874 OE2 GLU A 131 -58.808 -43.208 14.754 1.00 49.18 O +ATOM 875 N ARG A 132 -56.160 -45.906 10.494 1.00 67.19 N +ATOM 876 CA ARG A 132 -54.847 -45.764 9.863 1.00 70.28 C +ATOM 877 C ARG A 132 -53.976 -44.866 10.720 1.00 68.95 C +ATOM 878 O ARG A 132 -54.406 -43.776 11.083 1.00 65.73 O +ATOM 879 CB ARG A 132 -55.014 -45.223 8.441 1.00 66.78 C +ATOM 880 CG ARG A 132 -53.682 -45.160 7.691 1.00 61.38 C +ATOM 881 CD ARG A 132 -53.918 -44.681 6.261 1.00 61.32 C +ATOM 882 NE ARG A 132 -52.672 -44.665 5.485 1.00 58.96 N +ATOM 883 CZ ARG A 132 -52.561 -44.404 4.190 1.00 53.56 C +ATOM 884 NH1 ARG A 132 -53.599 -44.088 3.467 1.00 53.61 N +ATOM 885 NH2 ARG A 132 -51.398 -44.455 3.615 1.00 52.09 N +ATOM 886 N GLY A 133 -52.748 -45.271 10.996 1.00 61.46 N +ATOM 887 CA GLY A 133 -51.795 -44.449 11.728 1.00 62.86 C +ATOM 888 C GLY A 133 -51.587 -43.078 11.066 1.00 63.53 C +ATOM 889 O GLY A 133 -51.650 -42.956 9.838 1.00 61.49 O +ATOM 890 N GLU A 134 -51.348 -42.074 11.882 1.00 58.53 N +ATOM 891 CA GLU A 134 -51.088 -40.718 11.409 1.00 63.31 C +ATOM 892 C GLU A 134 -49.868 -40.677 10.489 1.00 62.59 C +ATOM 893 O GLU A 134 -48.912 -41.456 10.616 1.00 61.16 O +ATOM 894 CB GLU A 134 -50.922 -39.743 12.583 1.00 60.79 C +ATOM 895 CG GLU A 134 -52.216 -39.596 13.409 1.00 56.05 C +ATOM 896 CD GLU A 134 -52.135 -38.490 14.469 1.00 53.03 C +ATOM 897 OE1 GLU A 134 -53.221 -38.064 14.926 1.00 51.09 O +ATOM 898 OE2 GLU A 134 -51.004 -38.073 14.806 1.00 49.50 O +ATOM 899 N LYS A 135 -49.924 -39.763 9.501 1.00 71.54 N +ATOM 900 CA LYS A 135 -48.801 -39.563 8.591 1.00 74.08 C +ATOM 901 C LYS A 135 -47.622 -39.021 9.386 1.00 73.07 C +ATOM 902 O LYS A 135 -47.778 -38.047 10.108 1.00 70.83 O +ATOM 903 CB LYS A 135 -49.225 -38.626 7.449 1.00 69.55 C +ATOM 904 CG LYS A 135 -48.128 -38.476 6.381 1.00 64.37 C +ATOM 905 CD LYS A 135 -48.612 -37.562 5.257 1.00 63.39 C +ATOM 906 CE LYS A 135 -47.506 -37.398 4.214 1.00 59.80 C +ATOM 907 NZ LYS A 135 -47.900 -36.449 3.143 1.00 54.22 N +ATOM 908 N GLY A 136 -46.438 -39.601 9.192 1.00 62.88 N +ATOM 909 CA GLY A 136 -45.231 -39.097 9.825 1.00 63.54 C +ATOM 910 C GLY A 136 -44.963 -37.628 9.460 1.00 64.27 C +ATOM 911 O GLY A 136 -45.256 -37.193 8.341 1.00 61.89 O +ATOM 912 N GLU A 137 -44.431 -36.887 10.411 1.00 60.33 N +ATOM 913 CA GLU A 137 -44.073 -35.488 10.199 1.00 64.45 C +ATOM 914 C GLU A 137 -43.031 -35.359 9.081 1.00 63.09 C +ATOM 915 O GLU A 137 -42.152 -36.220 8.928 1.00 61.43 O +ATOM 916 CB GLU A 137 -43.558 -34.838 11.489 1.00 62.04 C +ATOM 917 CG GLU A 137 -44.647 -34.727 12.575 1.00 57.93 C +ATOM 918 CD GLU A 137 -44.188 -33.914 13.800 1.00 54.95 C +ATOM 919 OE1 GLU A 137 -45.078 -33.431 14.531 1.00 52.88 O +ATOM 920 OE2 GLU A 137 -42.957 -33.764 13.993 1.00 51.25 O +ATOM 921 N PRO A 138 -43.110 -34.286 8.268 1.00 67.68 N +ATOM 922 CA PRO A 138 -42.069 -34.003 7.288 1.00 69.45 C +ATOM 923 C PRO A 138 -40.703 -33.884 7.965 1.00 68.45 C +ATOM 924 O PRO A 138 -40.577 -33.278 9.027 1.00 66.03 O +ATOM 925 CB PRO A 138 -42.472 -32.687 6.608 1.00 68.05 C +ATOM 926 CG PRO A 138 -43.976 -32.603 6.837 1.00 64.87 C +ATOM 927 CD PRO A 138 -44.168 -33.283 8.189 1.00 69.12 C +ATOM 928 N GLY A 139 -39.676 -34.417 7.301 1.00 60.28 N +ATOM 929 CA GLY A 139 -38.306 -34.231 7.767 1.00 61.81 C +ATOM 930 C GLY A 139 -37.941 -32.745 7.854 1.00 62.45 C +ATOM 931 O GLY A 139 -38.357 -31.931 7.029 1.00 60.78 O +ATOM 932 N THR A 140 -37.144 -32.391 8.859 1.00 61.52 N +ATOM 933 CA THR A 140 -36.668 -31.016 9.023 1.00 64.40 C +ATOM 934 C THR A 140 -35.795 -30.608 7.835 1.00 62.11 C +ATOM 935 O THR A 140 -35.035 -31.404 7.282 1.00 59.80 O +ATOM 936 CB THR A 140 -35.914 -30.825 10.345 1.00 63.11 C +ATOM 937 OG1 THR A 140 -34.867 -31.761 10.464 1.00 60.30 O +ATOM 938 CG2 THR A 140 -36.837 -31.026 11.549 1.00 61.09 C +ATOM 939 N GLN A 141 -35.920 -29.347 7.426 1.00 68.51 N +ATOM 940 CA GLN A 141 -35.065 -28.829 6.370 1.00 71.35 C +ATOM 941 C GLN A 141 -33.606 -28.856 6.833 1.00 69.44 C +ATOM 942 O GLN A 141 -33.299 -28.416 7.941 1.00 65.40 O +ATOM 943 CB GLN A 141 -35.530 -27.414 5.989 1.00 68.01 C +ATOM 944 CG GLN A 141 -34.744 -26.854 4.791 1.00 64.89 C +ATOM 945 CD GLN A 141 -35.253 -25.494 4.309 1.00 62.75 C +ATOM 946 OE1 GLN A 141 -36.187 -24.903 4.802 1.00 60.86 O +ATOM 947 NE2 GLN A 141 -34.647 -24.937 3.284 1.00 56.95 N +ATOM 948 N GLY A 142 -32.704 -29.329 5.960 1.00 60.59 N +ATOM 949 CA GLY A 142 -31.272 -29.309 6.236 1.00 61.77 C +ATOM 950 C GLY A 142 -30.776 -27.889 6.532 1.00 62.57 C +ATOM 951 O GLY A 142 -31.261 -26.907 5.972 1.00 60.46 O +ATOM 952 N ALA A 143 -29.812 -27.788 7.444 1.00 62.75 N +ATOM 953 CA ALA A 143 -29.209 -26.511 7.787 1.00 66.92 C +ATOM 954 C ALA A 143 -28.619 -25.844 6.533 1.00 65.87 C +ATOM 955 O ALA A 143 -28.089 -26.502 5.635 1.00 63.80 O +ATOM 956 CB ALA A 143 -28.155 -26.719 8.887 1.00 64.43 C +ATOM 957 N LYS A 144 -28.728 -24.515 6.464 1.00 73.04 N +ATOM 958 CA LYS A 144 -28.112 -23.764 5.376 1.00 76.51 C +ATOM 959 C LYS A 144 -26.597 -23.931 5.458 1.00 74.90 C +ATOM 960 O LYS A 144 -26.038 -23.736 6.528 1.00 71.96 O +ATOM 961 CB LYS A 144 -28.543 -22.295 5.470 1.00 71.58 C +ATOM 962 CG LYS A 144 -28.028 -21.467 4.286 1.00 65.73 C +ATOM 963 CD LYS A 144 -28.564 -20.031 4.385 1.00 64.90 C +ATOM 964 CE LYS A 144 -28.072 -19.213 3.193 1.00 60.94 C +ATOM 965 NZ LYS A 144 -28.618 -17.846 3.225 1.00 54.90 N +ATOM 966 N GLY A 145 -25.967 -24.227 4.325 1.00 63.16 N +ATOM 967 CA GLY A 145 -24.513 -24.320 4.267 1.00 65.09 C +ATOM 968 C GLY A 145 -23.837 -23.026 4.721 1.00 67.21 C +ATOM 969 O GLY A 145 -24.360 -21.929 4.494 1.00 64.55 O +ATOM 970 N ASP A 146 -22.690 -23.170 5.365 1.00 63.55 N +ATOM 971 CA ASP A 146 -21.926 -22.027 5.847 1.00 68.83 C +ATOM 972 C ASP A 146 -21.531 -21.110 4.691 1.00 67.62 C +ATOM 973 O ASP A 146 -21.307 -21.527 3.549 1.00 65.16 O +ATOM 974 CB ASP A 146 -20.691 -22.490 6.640 1.00 65.62 C +ATOM 975 CG ASP A 146 -21.065 -23.178 7.964 1.00 62.29 C +ATOM 976 OD1 ASP A 146 -22.028 -22.693 8.602 1.00 59.21 O +ATOM 977 OD2 ASP A 146 -20.385 -24.156 8.306 1.00 57.12 O +ATOM 978 N ARG A 147 -21.479 -19.800 4.979 1.00 73.01 N +ATOM 979 CA ARG A 147 -21.007 -18.839 3.983 1.00 75.52 C +ATOM 980 C ARG A 147 -19.534 -19.123 3.706 1.00 73.23 C +ATOM 981 O ARG A 147 -18.741 -19.175 4.645 1.00 69.26 O +ATOM 982 CB ARG A 147 -21.249 -17.406 4.490 1.00 71.30 C +ATOM 983 CG ARG A 147 -20.732 -16.358 3.491 1.00 66.47 C +ATOM 984 CD ARG A 147 -20.943 -14.925 4.005 1.00 66.18 C +ATOM 985 NE ARG A 147 -22.354 -14.516 3.940 1.00 62.40 N +ATOM 986 CZ ARG A 147 -22.853 -13.362 4.374 1.00 57.48 C +ATOM 987 NH1 ARG A 147 -22.095 -12.455 4.935 1.00 56.40 N +ATOM 988 NH2 ARG A 147 -24.113 -13.102 4.255 1.00 54.70 N +ATOM 989 N GLY A 148 -19.177 -19.226 2.437 1.00 63.85 N +ATOM 990 CA GLY A 148 -17.778 -19.340 2.045 1.00 65.08 C +ATOM 991 C GLY A 148 -16.933 -18.200 2.614 1.00 66.31 C +ATOM 992 O GLY A 148 -17.387 -17.056 2.682 1.00 63.62 O +ATOM 993 N GLU A 149 -15.709 -18.516 3.018 1.00 60.75 N +ATOM 994 CA GLU A 149 -14.769 -17.538 3.540 1.00 65.74 C +ATOM 995 C GLU A 149 -14.496 -16.433 2.511 1.00 63.57 C +ATOM 996 O GLU A 149 -14.485 -16.651 1.290 1.00 61.85 O +ATOM 997 CB GLU A 149 -13.467 -18.202 3.990 1.00 63.90 C +ATOM 998 CG GLU A 149 -13.683 -19.169 5.173 1.00 60.19 C +ATOM 999 CD GLU A 149 -12.360 -19.729 5.739 1.00 57.36 C +ATOM 1000 OE1 GLU A 149 -12.409 -20.240 6.883 1.00 55.30 O +ATOM 1001 OE2 GLU A 149 -11.330 -19.627 5.045 1.00 54.08 O +ATOM 1002 N THR A 150 -14.313 -15.215 3.016 1.00 74.78 N +ATOM 1003 CA THR A 150 -13.928 -14.094 2.155 1.00 74.90 C +ATOM 1004 C THR A 150 -12.526 -14.370 1.603 1.00 72.21 C +ATOM 1005 O THR A 150 -11.627 -14.714 2.364 1.00 67.93 O +ATOM 1006 CB THR A 150 -13.963 -12.772 2.924 1.00 72.32 C +ATOM 1007 OG1 THR A 150 -15.263 -12.564 3.446 1.00 67.99 O +ATOM 1008 CG2 THR A 150 -13.657 -11.557 2.048 1.00 67.46 C +ATOM 1009 N GLY A 151 -12.358 -14.216 0.293 1.00 63.15 N +ATOM 1010 CA GLY A 151 -11.049 -14.371 -0.321 1.00 64.42 C +ATOM 1011 C GLY A 151 -9.999 -13.444 0.315 1.00 65.13 C +ATOM 1012 O GLY A 151 -10.349 -12.368 0.812 1.00 63.26 O +ATOM 1013 N PRO A 152 -8.726 -13.836 0.288 1.00 63.95 N +ATOM 1014 CA PRO A 152 -7.665 -13.023 0.855 1.00 67.80 C +ATOM 1015 C PRO A 152 -7.617 -11.641 0.192 1.00 66.13 C +ATOM 1016 O PRO A 152 -7.941 -11.478 -0.983 1.00 64.37 O +ATOM 1017 CB PRO A 152 -6.371 -13.819 0.639 1.00 66.54 C +ATOM 1018 CG PRO A 152 -6.691 -14.695 -0.574 1.00 65.22 C +ATOM 1019 CD PRO A 152 -8.173 -14.993 -0.388 1.00 67.53 C +ATOM 1020 N VAL A 153 -7.199 -10.642 0.968 1.00 71.20 N +ATOM 1021 CA VAL A 153 -6.961 -9.295 0.436 1.00 74.04 C +ATOM 1022 C VAL A 153 -5.880 -9.384 -0.645 1.00 73.20 C +ATOM 1023 O VAL A 153 -4.868 -10.056 -0.453 1.00 70.18 O +ATOM 1024 CB VAL A 153 -6.566 -8.319 1.560 1.00 70.65 C +ATOM 1025 CG1 VAL A 153 -6.279 -6.901 1.044 1.00 64.62 C +ATOM 1026 CG2 VAL A 153 -7.692 -8.200 2.594 1.00 66.55 C +ATOM 1027 N GLY A 154 -6.112 -8.718 -1.770 1.00 62.99 N +ATOM 1028 CA GLY A 154 -5.133 -8.667 -2.840 1.00 65.32 C +ATOM 1029 C GLY A 154 -3.788 -8.107 -2.364 1.00 67.01 C +ATOM 1030 O GLY A 154 -3.747 -7.309 -1.419 1.00 65.80 O +ATOM 1031 N PRO A 155 -2.672 -8.509 -3.000 1.00 63.99 N +ATOM 1032 CA PRO A 155 -1.359 -8.018 -2.617 1.00 67.99 C +ATOM 1033 C PRO A 155 -1.318 -6.488 -2.703 1.00 67.28 C +ATOM 1034 O PRO A 155 -1.969 -5.867 -3.542 1.00 65.25 O +ATOM 1035 CB PRO A 155 -0.369 -8.690 -3.576 1.00 66.00 C +ATOM 1036 CG PRO A 155 -1.219 -9.012 -4.800 1.00 63.90 C +ATOM 1037 CD PRO A 155 -2.589 -9.315 -4.202 1.00 65.44 C +ATOM 1038 N ARG A 156 -0.555 -5.882 -1.804 1.00 65.17 N +ATOM 1039 CA ARG A 156 -0.319 -4.440 -1.851 1.00 70.16 C +ATOM 1040 C ARG A 156 0.367 -4.091 -3.174 1.00 68.35 C +ATOM 1041 O ARG A 156 1.319 -4.767 -3.544 1.00 65.27 O +ATOM 1042 CB ARG A 156 0.522 -4.024 -0.634 1.00 67.31 C +ATOM 1043 CG ARG A 156 0.711 -2.502 -0.551 1.00 62.83 C +ATOM 1044 CD ARG A 156 1.480 -2.149 0.714 1.00 61.86 C +ATOM 1045 NE ARG A 156 1.653 -0.698 0.846 1.00 59.65 N +ATOM 1046 CZ ARG A 156 2.193 -0.059 1.871 1.00 53.63 C +ATOM 1047 NH1 ARG A 156 2.660 -0.702 2.910 1.00 53.44 N +ATOM 1048 NH2 ARG A 156 2.274 1.241 1.865 1.00 51.61 N +ATOM 1049 N GLY A 157 -0.124 -3.031 -3.825 1.00 64.06 N +ATOM 1050 CA GLY A 157 0.494 -2.546 -5.050 1.00 65.86 C +ATOM 1051 C GLY A 157 1.985 -2.248 -4.861 1.00 67.52 C +ATOM 1052 O GLY A 157 2.420 -1.856 -3.771 1.00 65.55 O +ATOM 1053 N GLU A 158 2.749 -2.482 -5.919 1.00 59.22 N +ATOM 1054 CA GLU A 158 4.180 -2.208 -5.908 1.00 64.30 C +ATOM 1055 C GLU A 158 4.441 -0.730 -5.614 1.00 62.80 C +ATOM 1056 O GLU A 158 3.647 0.164 -5.928 1.00 61.08 O +ATOM 1057 CB GLU A 158 4.835 -2.640 -7.223 1.00 62.10 C +ATOM 1058 CG GLU A 158 4.757 -4.170 -7.403 1.00 58.02 C +ATOM 1059 CD GLU A 158 5.527 -4.685 -8.629 1.00 54.58 C +ATOM 1060 OE1 GLU A 158 5.743 -5.918 -8.668 1.00 52.26 O +ATOM 1061 OE2 GLU A 158 5.882 -3.857 -9.494 1.00 51.09 O +ATOM 1062 N ARG A 159 5.554 -0.480 -4.928 1.00 66.09 N +ATOM 1063 CA ARG A 159 5.971 0.893 -4.649 1.00 69.47 C +ATOM 1064 C ARG A 159 6.302 1.570 -5.971 1.00 67.29 C +ATOM 1065 O ARG A 159 7.062 1.010 -6.742 1.00 64.06 O +ATOM 1066 CB ARG A 159 7.163 0.859 -3.683 1.00 66.89 C +ATOM 1067 CG ARG A 159 7.618 2.266 -3.278 1.00 62.68 C +ATOM 1068 CD ARG A 159 8.766 2.153 -2.272 1.00 62.53 C +ATOM 1069 NE ARG A 159 9.236 3.464 -1.835 1.00 60.67 N +ATOM 1070 CZ ARG A 159 10.206 3.686 -0.962 1.00 55.47 C +ATOM 1071 NH1 ARG A 159 10.828 2.717 -0.372 1.00 55.47 N +ATOM 1072 NH2 ARG A 159 10.575 4.909 -0.693 1.00 53.49 N +ATOM 1073 N GLY A 160 5.749 2.774 -6.170 1.00 62.86 N +ATOM 1074 CA GLY A 160 6.086 3.565 -7.348 1.00 63.45 C +ATOM 1075 C GLY A 160 7.594 3.750 -7.499 1.00 64.22 C +ATOM 1076 O GLY A 160 8.319 3.826 -6.498 1.00 61.61 O +ATOM 1077 N GLU A 161 8.045 3.784 -8.751 1.00 55.56 N +ATOM 1078 CA GLU A 161 9.453 4.017 -9.066 1.00 60.53 C +ATOM 1079 C GLU A 161 9.928 5.343 -8.460 1.00 57.71 C +ATOM 1080 O GLU A 161 9.165 6.303 -8.301 1.00 56.95 O +ATOM 1081 CB GLU A 161 9.694 3.980 -10.579 1.00 60.06 C +ATOM 1082 CG GLU A 161 9.443 2.582 -11.177 1.00 56.15 C +ATOM 1083 CD GLU A 161 9.821 2.482 -12.673 1.00 53.73 C +ATOM 1084 OE1 GLU A 161 9.970 1.336 -13.137 1.00 52.23 O +ATOM 1085 OE2 GLU A 161 9.972 3.540 -13.319 1.00 51.59 O +ATOM 1086 N ALA A 162 11.197 5.375 -8.068 1.00 65.78 N +ATOM 1087 CA ALA A 162 11.794 6.613 -7.584 1.00 67.50 C +ATOM 1088 C ALA A 162 11.730 7.674 -8.696 1.00 66.37 C +ATOM 1089 O ALA A 162 11.988 7.373 -9.859 1.00 62.98 O +ATOM 1090 CB ALA A 162 13.230 6.345 -7.121 1.00 65.52 C +ATOM 1091 N GLY A 163 11.383 8.897 -8.312 1.00 57.57 N +ATOM 1092 CA GLY A 163 11.401 10.008 -9.254 1.00 58.88 C +ATOM 1093 C GLY A 163 12.787 10.166 -9.904 1.00 58.61 C +ATOM 1094 O GLY A 163 13.796 9.809 -9.295 1.00 56.78 O +ATOM 1095 N PRO A 164 12.835 10.704 -11.134 1.00 56.89 N +ATOM 1096 CA PRO A 164 14.102 10.941 -11.805 1.00 61.33 C +ATOM 1097 C PRO A 164 15.002 11.843 -10.950 1.00 59.26 C +ATOM 1098 O PRO A 164 14.516 12.705 -10.213 1.00 58.07 O +ATOM 1099 CB PRO A 164 13.746 11.576 -13.156 1.00 61.20 C +ATOM 1100 CG PRO A 164 12.393 12.230 -12.896 1.00 59.86 C +ATOM 1101 CD PRO A 164 11.737 11.274 -11.888 1.00 62.92 C +ATOM 1102 N ALA A 165 16.313 11.635 -11.063 1.00 59.57 N +ATOM 1103 CA ALA A 165 17.278 12.509 -10.407 1.00 62.54 C +ATOM 1104 C ALA A 165 17.034 13.977 -10.825 1.00 60.95 C +ATOM 1105 O ALA A 165 16.666 14.253 -11.966 1.00 58.91 O +ATOM 1106 CB ALA A 165 18.699 12.048 -10.740 1.00 61.51 C +ATOM 1107 N GLY A 166 17.200 14.882 -9.858 1.00 56.18 N +ATOM 1108 CA GLY A 166 17.118 16.309 -10.137 1.00 58.37 C +ATOM 1109 C GLY A 166 18.093 16.712 -11.248 1.00 59.24 C +ATOM 1110 O GLY A 166 19.169 16.134 -11.371 1.00 57.06 O +ATOM 1111 N LYS A 167 17.687 17.684 -12.052 1.00 55.79 N +ATOM 1112 CA LYS A 167 18.562 18.218 -13.102 1.00 61.82 C +ATOM 1113 C LYS A 167 19.807 18.830 -12.465 1.00 60.78 C +ATOM 1114 O LYS A 167 19.727 19.432 -11.396 1.00 59.66 O +ATOM 1115 CB LYS A 167 17.819 19.263 -13.953 1.00 59.54 C +ATOM 1116 CG LYS A 167 16.651 18.663 -14.749 1.00 55.12 C +ATOM 1117 CD LYS A 167 15.976 19.741 -15.595 1.00 53.82 C +ATOM 1118 CE LYS A 167 14.783 19.153 -16.355 1.00 49.77 C +ATOM 1119 NZ LYS A 167 14.063 20.203 -17.110 1.00 44.54 N +ATOM 1120 N ASP A 168 20.922 18.688 -13.164 1.00 60.52 N +ATOM 1121 CA ASP A 168 22.166 19.334 -12.758 1.00 64.95 C +ATOM 1122 C ASP A 168 21.948 20.844 -12.561 1.00 64.01 C +ATOM 1123 O ASP A 168 21.192 21.484 -13.299 1.00 60.84 O +ATOM 1124 CB ASP A 168 23.278 19.080 -13.794 1.00 62.30 C +ATOM 1125 CG ASP A 168 23.669 17.603 -13.943 1.00 58.42 C +ATOM 1126 OD1 ASP A 168 23.455 16.844 -12.974 1.00 55.90 O +ATOM 1127 OD2 ASP A 168 24.160 17.249 -15.035 1.00 54.97 O +ATOM 1128 N GLY A 169 22.582 21.376 -11.520 1.00 57.98 N +ATOM 1129 CA GLY A 169 22.530 22.813 -11.261 1.00 59.77 C +ATOM 1130 C GLY A 169 23.073 23.618 -12.443 1.00 61.53 C +ATOM 1131 O GLY A 169 23.998 23.191 -13.133 1.00 58.85 O +ATOM 1132 N GLU A 170 22.494 24.792 -12.663 1.00 51.31 N +ATOM 1133 CA GLU A 170 22.988 25.692 -13.705 1.00 57.23 C +ATOM 1134 C GLU A 170 24.458 26.045 -13.460 1.00 56.01 C +ATOM 1135 O GLU A 170 24.909 26.244 -12.323 1.00 55.67 O +ATOM 1136 CB GLU A 170 22.134 26.962 -13.813 1.00 56.99 C +ATOM 1137 CG GLU A 170 20.701 26.670 -14.327 1.00 52.68 C +ATOM 1138 CD GLU A 170 19.895 27.950 -14.605 1.00 49.89 C +ATOM 1139 OE1 GLU A 170 18.844 27.816 -15.283 1.00 47.76 O +ATOM 1140 OE2 GLU A 170 20.309 29.040 -14.164 1.00 46.90 O +ATOM 1141 N ARG A 171 25.203 26.119 -14.551 1.00 58.49 N +ATOM 1142 CA ARG A 171 26.609 26.498 -14.496 1.00 61.48 C +ATOM 1143 C ARG A 171 26.745 27.892 -13.890 1.00 58.59 C +ATOM 1144 O ARG A 171 26.088 28.831 -14.341 1.00 56.40 O +ATOM 1145 CB ARG A 171 27.184 26.424 -15.918 1.00 60.84 C +ATOM 1146 CG ARG A 171 28.692 26.665 -15.939 1.00 56.29 C +ATOM 1147 CD ARG A 171 29.171 26.573 -17.395 1.00 56.61 C +ATOM 1148 NE ARG A 171 30.626 26.644 -17.478 1.00 55.22 N +ATOM 1149 CZ ARG A 171 31.324 26.341 -18.548 1.00 49.86 C +ATOM 1150 NH1 ARG A 171 30.772 26.131 -19.708 1.00 50.40 N +ATOM 1151 NH2 ARG A 171 32.610 26.210 -18.458 1.00 48.98 N +ATOM 1152 N GLY A 172 27.614 28.015 -12.897 1.00 59.64 N +ATOM 1153 CA GLY A 172 27.924 29.317 -12.314 1.00 60.42 C +ATOM 1154 C GLY A 172 28.395 30.325 -13.380 1.00 61.21 C +ATOM 1155 O GLY A 172 29.013 29.921 -14.371 1.00 58.74 O +ATOM 1156 N PRO A 173 28.122 31.625 -13.177 1.00 57.45 N +ATOM 1157 CA PRO A 173 28.561 32.654 -14.111 1.00 61.43 C +ATOM 1158 C PRO A 173 30.088 32.634 -14.253 1.00 59.02 C +ATOM 1159 O PRO A 173 30.815 32.350 -13.297 1.00 58.19 O +ATOM 1160 CB PRO A 173 28.039 33.978 -13.560 1.00 61.41 C +ATOM 1161 CG PRO A 173 27.902 33.709 -12.063 1.00 59.21 C +ATOM 1162 CD PRO A 173 27.491 32.234 -12.006 1.00 61.53 C +ATOM 1163 N VAL A 174 30.561 32.952 -15.454 1.00 64.22 N +ATOM 1164 CA VAL A 174 31.996 33.119 -15.703 1.00 67.10 C +ATOM 1165 C VAL A 174 32.543 34.201 -14.761 1.00 64.91 C +ATOM 1166 O VAL A 174 31.936 35.266 -14.628 1.00 61.57 O +ATOM 1167 CB VAL A 174 32.276 33.462 -17.188 1.00 65.40 C +ATOM 1168 CG1 VAL A 174 33.768 33.637 -17.485 1.00 59.48 C +ATOM 1169 CG2 VAL A 174 31.759 32.345 -18.112 1.00 61.13 C +ATOM 1170 N GLY A 175 33.649 33.907 -14.104 1.00 58.36 N +ATOM 1171 CA GLY A 175 34.304 34.880 -13.230 1.00 59.23 C +ATOM 1172 C GLY A 175 34.674 36.157 -14.002 1.00 59.24 C +ATOM 1173 O GLY A 175 34.952 36.082 -15.205 1.00 57.54 O +ATOM 1174 N PRO A 176 34.683 37.318 -13.334 1.00 56.29 N +ATOM 1175 CA PRO A 176 35.059 38.557 -13.985 1.00 60.52 C +ATOM 1176 C PRO A 176 36.483 38.461 -14.551 1.00 58.25 C +ATOM 1177 O PRO A 176 37.344 37.805 -13.956 1.00 57.57 O +ATOM 1178 CB PRO A 176 34.932 39.656 -12.915 1.00 60.58 C +ATOM 1179 CG PRO A 176 35.118 38.883 -11.606 1.00 58.59 C +ATOM 1180 CD PRO A 176 34.484 37.527 -11.904 1.00 60.04 C +ATOM 1181 N ALA A 177 36.706 39.129 -15.675 1.00 61.15 N +ATOM 1182 CA ALA A 177 38.045 39.233 -16.243 1.00 64.41 C +ATOM 1183 C ALA A 177 39.041 39.787 -15.209 1.00 62.17 C +ATOM 1184 O ALA A 177 38.690 40.639 -14.379 1.00 59.42 O +ATOM 1185 CB ALA A 177 38.002 40.097 -17.512 1.00 62.93 C +ATOM 1186 N GLY A 178 40.258 39.269 -15.242 1.00 57.68 N +ATOM 1187 CA GLY A 178 41.328 39.791 -14.403 1.00 59.29 C +ATOM 1188 C GLY A 178 41.538 41.286 -14.666 1.00 59.00 C +ATOM 1189 O GLY A 178 41.368 41.751 -15.791 1.00 57.26 O +ATOM 1190 N LYS A 179 41.874 42.039 -13.618 1.00 55.38 N +ATOM 1191 CA LYS A 179 42.196 43.460 -13.770 1.00 60.71 C +ATOM 1192 C LYS A 179 43.448 43.604 -14.635 1.00 59.36 C +ATOM 1193 O LYS A 179 44.384 42.826 -14.476 1.00 58.23 O +ATOM 1194 CB LYS A 179 42.402 44.137 -12.402 1.00 59.06 C +ATOM 1195 CG LYS A 179 41.113 44.189 -11.580 1.00 55.43 C +ATOM 1196 CD LYS A 179 41.355 44.916 -10.254 1.00 54.39 C +ATOM 1197 CE LYS A 179 40.074 44.956 -9.422 1.00 50.53 C +ATOM 1198 NZ LYS A 179 40.282 45.646 -8.125 1.00 45.33 N +ATOM 1199 N ASP A 180 43.451 44.627 -15.483 1.00 59.34 N +ATOM 1200 CA ASP A 180 44.625 44.968 -16.274 1.00 63.38 C +ATOM 1201 C ASP A 180 45.850 45.157 -15.367 1.00 61.33 C +ATOM 1202 O ASP A 180 45.751 45.688 -14.250 1.00 58.21 O +ATOM 1203 CB ASP A 180 44.357 46.226 -17.120 1.00 61.37 C +ATOM 1204 CG ASP A 180 43.212 46.054 -18.134 1.00 57.61 C +ATOM 1205 OD1 ASP A 180 43.003 44.906 -18.587 1.00 54.96 O +ATOM 1206 OD2 ASP A 180 42.543 47.056 -18.403 1.00 53.66 O +ATOM 1207 N GLY A 181 46.994 44.694 -15.847 1.00 59.65 N +ATOM 1208 CA GLY A 181 48.258 44.933 -15.157 1.00 60.43 C +ATOM 1209 C GLY A 181 48.527 46.438 -15.045 1.00 60.74 C +ATOM 1210 O GLY A 181 48.208 47.206 -15.951 1.00 58.00 O +ATOM 1211 N GLN A 182 49.093 46.840 -13.923 1.00 53.70 N +ATOM 1212 CA GLN A 182 49.510 48.238 -13.782 1.00 57.61 C +ATOM 1213 C GLN A 182 50.606 48.552 -14.801 1.00 56.84 C +ATOM 1214 O GLN A 182 51.519 47.745 -14.999 1.00 55.21 O +ATOM 1215 CB GLN A 182 49.978 48.537 -12.349 1.00 56.76 C +ATOM 1216 CG GLN A 182 48.814 48.497 -11.339 1.00 54.24 C +ATOM 1217 CD GLN A 182 49.226 48.872 -9.912 1.00 50.98 C +ATOM 1218 OE1 GLN A 182 50.384 49.004 -9.553 1.00 50.22 O +ATOM 1219 NE2 GLN A 182 48.283 49.052 -9.016 1.00 46.65 N +ATOM 1220 N ASN A 183 50.519 49.730 -15.415 1.00 61.35 N +ATOM 1221 CA ASN A 183 51.560 50.195 -16.324 1.00 65.19 C +ATOM 1222 C ASN A 183 52.918 50.206 -15.602 1.00 63.23 C +ATOM 1223 O ASN A 183 53.006 50.572 -14.426 1.00 59.65 O +ATOM 1224 CB ASN A 183 51.202 51.585 -16.888 1.00 62.42 C +ATOM 1225 CG ASN A 183 49.991 51.573 -17.818 1.00 57.84 C +ATOM 1226 OD1 ASN A 183 49.373 50.555 -18.064 1.00 55.00 O +ATOM 1227 ND2 ASN A 183 49.613 52.709 -18.358 1.00 53.08 N +ATOM 1228 N GLY A 184 53.948 49.797 -16.297 1.00 58.00 N +ATOM 1229 CA GLY A 184 55.312 49.916 -15.781 1.00 58.60 C +ATOM 1230 C GLY A 184 55.652 51.383 -15.475 1.00 58.81 C +ATOM 1231 O GLY A 184 55.199 52.282 -16.173 1.00 56.45 O +ATOM 1232 N GLN A 185 56.409 51.598 -14.416 1.00 50.83 N +ATOM 1233 CA GLN A 185 56.894 52.951 -14.106 1.00 55.01 C +ATOM 1234 C GLN A 185 57.872 53.423 -15.184 1.00 54.30 C +ATOM 1235 O GLN A 185 58.689 52.640 -15.661 1.00 53.14 O +ATOM 1236 CB GLN A 185 57.548 52.995 -12.713 1.00 54.32 C +ATOM 1237 CG GLN A 185 56.519 52.805 -11.579 1.00 51.39 C +ATOM 1238 CD GLN A 185 57.130 52.897 -10.182 1.00 48.26 C +ATOM 1239 OE1 GLN A 185 58.323 52.953 -9.960 1.00 47.25 O +ATOM 1240 NE2 GLN A 185 56.313 52.902 -9.152 1.00 44.06 N +ATOM 1241 N ASP A 186 57.764 54.695 -15.520 1.00 58.06 N +ATOM 1242 CA ASP A 186 58.706 55.302 -16.458 1.00 62.45 C +ATOM 1243 C ASP A 186 60.146 55.143 -15.965 1.00 60.60 C +ATOM 1244 O ASP A 186 60.448 55.267 -14.775 1.00 57.41 O +ATOM 1245 CB ASP A 186 58.378 56.791 -16.670 1.00 60.50 C +ATOM 1246 CG ASP A 186 57.009 57.043 -17.294 1.00 57.82 C +ATOM 1247 OD1 ASP A 186 56.512 56.144 -18.003 1.00 55.61 O +ATOM 1248 OD2 ASP A 186 56.458 58.138 -17.031 1.00 53.59 O +ATOM 1249 N GLY A 187 61.045 54.853 -16.892 1.00 59.48 N +ATOM 1250 CA GLY A 187 62.472 54.765 -16.570 1.00 59.60 C +ATOM 1251 C GLY A 187 63.000 56.107 -16.029 1.00 59.58 C +ATOM 1252 O GLY A 187 62.663 57.170 -16.546 1.00 57.13 O +ATOM 1253 N LEU A 188 63.825 56.040 -14.989 1.00 51.02 N +ATOM 1254 CA LEU A 188 64.454 57.248 -14.448 1.00 56.26 C +ATOM 1255 C LEU A 188 65.372 57.894 -15.507 1.00 55.33 C +ATOM 1256 O LEU A 188 66.085 57.178 -16.216 1.00 55.17 O +ATOM 1257 CB LEU A 188 65.240 56.916 -13.166 1.00 56.03 C +ATOM 1258 CG LEU A 188 64.376 56.512 -11.961 1.00 52.66 C +ATOM 1259 CD1 LEU A 188 65.270 56.041 -10.820 1.00 51.19 C +ATOM 1260 CD2 LEU A 188 63.515 57.659 -11.447 1.00 50.09 C +ATOM 1261 N PRO A 189 65.401 59.223 -15.576 1.00 58.10 N +ATOM 1262 CA PRO A 189 66.354 59.923 -16.449 1.00 61.44 C +ATOM 1263 C PRO A 189 67.799 59.523 -16.133 1.00 58.98 C +ATOM 1264 O PRO A 189 68.179 59.360 -14.973 1.00 58.00 O +ATOM 1265 CB PRO A 189 66.116 61.419 -16.227 1.00 61.39 C +ATOM 1266 CG PRO A 189 64.675 61.486 -15.717 1.00 57.22 C +ATOM 1267 CD PRO A 189 64.518 60.203 -14.930 1.00 58.57 C +ATOM 1268 N GLY A 190 68.601 59.378 -17.159 1.00 56.14 N +ATOM 1269 CA GLY A 190 70.034 59.158 -16.979 1.00 56.71 C +ATOM 1270 C GLY A 190 70.687 60.326 -16.226 1.00 56.56 C +ATOM 1271 O GLY A 190 70.302 61.479 -16.408 1.00 54.75 O +ATOM 1272 N LYS A 191 71.679 60.034 -15.362 1.00 51.07 N +ATOM 1273 CA LYS A 191 72.427 61.081 -14.643 1.00 55.83 C +ATOM 1274 C LYS A 191 73.281 61.884 -15.623 1.00 54.78 C +ATOM 1275 O LYS A 191 73.948 61.302 -16.473 1.00 53.61 O +ATOM 1276 CB LYS A 191 73.287 60.471 -13.521 1.00 54.93 C +ATOM 1277 CG LYS A 191 72.456 59.896 -12.374 1.00 51.48 C +ATOM 1278 CD LYS A 191 73.352 59.265 -11.297 1.00 49.83 C +ATOM 1279 CE LYS A 191 72.496 58.641 -10.199 1.00 47.05 C +ATOM 1280 NZ LYS A 191 73.293 57.828 -9.244 1.00 42.05 N +ATOM 1281 N ASP A 192 73.299 63.210 -15.434 1.00 54.81 N +ATOM 1282 CA ASP A 192 74.103 64.115 -16.253 1.00 57.98 C +ATOM 1283 C ASP A 192 75.596 63.757 -16.206 1.00 56.23 C +ATOM 1284 O ASP A 192 76.165 63.472 -15.152 1.00 54.32 O +ATOM 1285 CB ASP A 192 73.898 65.576 -15.797 1.00 56.41 C +ATOM 1286 CG ASP A 192 72.458 66.065 -15.935 1.00 53.21 C +ATOM 1287 OD1 ASP A 192 71.761 65.564 -16.840 1.00 51.04 O +ATOM 1288 OD2 ASP A 192 72.079 66.915 -15.108 1.00 49.96 O +ATOM 1289 N GLY A 193 76.228 63.777 -17.369 1.00 51.42 N +ATOM 1290 CA GLY A 193 77.684 63.660 -17.464 1.00 52.39 C +ATOM 1291 C GLY A 193 78.363 64.880 -16.837 1.00 52.01 C +ATOM 1292 O GLY A 193 77.919 66.012 -17.036 1.00 50.42 O +ATOM 1293 N LYS A 194 79.457 64.665 -16.092 1.00 47.28 N +ATOM 1294 CA LYS A 194 80.205 65.774 -15.490 1.00 51.42 C +ATOM 1295 C LYS A 194 81.124 66.458 -16.519 1.00 50.45 C +ATOM 1296 O LYS A 194 82.098 65.888 -16.967 1.00 49.55 O +ATOM 1297 CB LYS A 194 80.977 65.321 -14.237 1.00 50.70 C +ATOM 1298 CG LYS A 194 80.054 65.127 -13.029 1.00 46.97 C +ATOM 1299 CD LYS A 194 80.861 64.801 -11.771 1.00 45.67 C +ATOM 1300 CE LYS A 194 79.935 64.676 -10.571 1.00 42.54 C +ATOM 1301 NZ LYS A 194 80.683 64.347 -9.329 1.00 38.87 N +ATOM 1302 N ASP A 195 80.753 67.719 -16.771 1.00 47.22 N +ATOM 1303 CA ASP A 195 81.493 68.896 -17.232 1.00 50.67 C +ATOM 1304 C ASP A 195 82.310 68.881 -18.538 1.00 49.41 C +ATOM 1305 O ASP A 195 83.474 68.481 -18.613 1.00 49.07 O +ATOM 1306 CB ASP A 195 82.250 69.551 -16.064 1.00 50.39 C +ATOM 1307 CG ASP A 195 81.305 70.050 -14.964 1.00 47.60 C +ATOM 1308 OD1 ASP A 195 80.107 70.217 -15.260 1.00 45.85 O +ATOM 1309 OD2 ASP A 195 81.784 70.247 -13.826 1.00 44.60 O +ATOM 1310 N GLY A 196 81.709 69.542 -19.543 1.00 48.05 N +ATOM 1311 CA GLY A 196 82.343 70.282 -20.611 1.00 49.61 C +ATOM 1312 C GLY A 196 81.318 71.139 -21.379 1.00 49.43 C +ATOM 1313 O GLY A 196 80.659 70.660 -22.280 1.00 48.22 O +ATOM 1314 N GLN A 197 81.163 72.386 -20.962 1.00 42.61 N +ATOM 1315 CA GLN A 197 80.333 73.489 -21.506 1.00 46.43 C +ATOM 1316 C GLN A 197 79.250 73.182 -22.577 1.00 45.00 C +ATOM 1317 O GLN A 197 79.524 72.996 -23.750 1.00 44.56 O +ATOM 1318 CB GLN A 197 81.276 74.610 -22.001 1.00 46.59 C +ATOM 1319 CG GLN A 197 81.964 75.334 -20.830 1.00 43.96 C +ATOM 1320 CD GLN A 197 82.885 76.475 -21.266 1.00 40.88 C +ATOM 1321 OE1 GLN A 197 83.214 76.674 -22.413 1.00 39.27 O +ATOM 1322 NE2 GLN A 197 83.349 77.280 -20.335 1.00 37.73 N +ATOM 1323 N ASN A 198 77.996 73.333 -22.138 1.00 49.69 N +ATOM 1324 CA ASN A 198 76.764 73.547 -22.912 1.00 53.26 C +ATOM 1325 C ASN A 198 76.539 72.665 -24.154 1.00 51.54 C +ATOM 1326 O ASN A 198 76.538 73.136 -25.297 1.00 50.55 O +ATOM 1327 CB ASN A 198 76.588 75.058 -23.200 1.00 52.64 C +ATOM 1328 CG ASN A 198 76.354 75.895 -21.956 1.00 49.06 C +ATOM 1329 OD1 ASN A 198 76.277 75.406 -20.846 1.00 47.16 O +ATOM 1330 ND2 ASN A 198 76.236 77.188 -22.095 1.00 45.22 N +ATOM 1331 N GLY A 199 76.189 71.369 -23.943 1.00 50.54 N +ATOM 1332 CA GLY A 199 75.428 70.539 -24.871 1.00 51.80 C +ATOM 1333 C GLY A 199 73.928 70.568 -24.539 1.00 51.66 C +ATOM 1334 O GLY A 199 73.567 70.646 -23.371 1.00 50.19 O +ATOM 1335 N LYS A 200 73.056 70.567 -25.563 1.00 48.88 N +ATOM 1336 CA LYS A 200 71.591 70.576 -25.391 1.00 54.04 C +ATOM 1337 C LYS A 200 71.123 69.348 -24.601 1.00 52.97 C +ATOM 1338 O LYS A 200 71.622 68.254 -24.841 1.00 52.22 O +ATOM 1339 CB LYS A 200 70.900 70.586 -26.768 1.00 53.68 C +ATOM 1340 CG LYS A 200 71.145 71.870 -27.577 1.00 50.46 C +ATOM 1341 CD LYS A 200 70.437 71.788 -28.932 1.00 48.86 C +ATOM 1342 CE LYS A 200 70.670 73.085 -29.721 1.00 45.88 C +ATOM 1343 NZ LYS A 200 69.997 73.063 -31.044 1.00 41.17 N +ATOM 1344 N ASP A 201 70.131 69.572 -23.762 1.00 53.13 N +ATOM 1345 CA ASP A 201 69.490 68.517 -22.974 1.00 56.87 C +ATOM 1346 C ASP A 201 69.139 67.297 -23.840 1.00 55.63 C +ATOM 1347 O ASP A 201 68.709 67.413 -24.994 1.00 53.74 O +ATOM 1348 CB ASP A 201 68.224 69.073 -22.287 1.00 55.45 C +ATOM 1349 CG ASP A 201 68.482 70.317 -21.428 1.00 52.62 C +ATOM 1350 OD1 ASP A 201 69.630 70.458 -20.944 1.00 50.30 O +ATOM 1351 OD2 ASP A 201 67.574 71.166 -21.370 1.00 48.81 O +ATOM 1352 N GLY A 202 69.381 66.113 -23.291 1.00 53.06 N +ATOM 1353 CA GLY A 202 68.993 64.861 -23.930 1.00 54.22 C +ATOM 1354 C GLY A 202 67.480 64.783 -24.123 1.00 54.36 C +ATOM 1355 O GLY A 202 66.713 65.252 -23.291 1.00 52.73 O +ATOM 1356 N LEU A 203 67.033 64.189 -25.243 1.00 49.83 N +ATOM 1357 CA LEU A 203 65.604 63.945 -25.458 1.00 55.75 C +ATOM 1358 C LEU A 203 65.082 62.930 -24.421 1.00 55.04 C +ATOM 1359 O LEU A 203 65.785 61.953 -24.150 1.00 55.47 O +ATOM 1360 CB LEU A 203 65.346 63.425 -26.886 1.00 55.67 C +ATOM 1361 CG LEU A 203 65.567 64.458 -27.994 1.00 51.89 C +ATOM 1362 CD1 LEU A 203 65.518 63.778 -29.366 1.00 50.22 C +ATOM 1363 CD2 LEU A 203 64.506 65.556 -27.982 1.00 48.97 C +ATOM 1364 N PRO A 204 63.860 63.104 -23.903 1.00 55.24 N +ATOM 1365 CA PRO A 204 63.237 62.133 -23.013 1.00 58.51 C +ATOM 1366 C PRO A 204 63.244 60.720 -23.615 1.00 56.09 C +ATOM 1367 O PRO A 204 63.142 60.545 -24.834 1.00 56.08 O +ATOM 1368 CB PRO A 204 61.797 62.633 -22.774 1.00 58.96 C +ATOM 1369 CG PRO A 204 61.885 64.130 -23.021 1.00 55.09 C +ATOM 1370 CD PRO A 204 62.944 64.252 -24.090 1.00 55.19 C +ATOM 1371 N GLY A 205 63.396 59.737 -22.764 1.00 57.83 N +ATOM 1372 CA GLY A 205 63.219 58.335 -23.149 1.00 60.30 C +ATOM 1373 C GLY A 205 61.807 58.085 -23.695 1.00 59.75 C +ATOM 1374 O GLY A 205 60.870 58.796 -23.347 1.00 58.48 O +ATOM 1375 N LYS A 206 61.651 57.119 -24.586 1.00 53.17 N +ATOM 1376 CA LYS A 206 60.316 56.712 -25.046 1.00 60.03 C +ATOM 1377 C LYS A 206 59.623 55.903 -23.948 1.00 58.79 C +ATOM 1378 O LYS A 206 60.257 55.031 -23.376 1.00 58.15 O +ATOM 1379 CB LYS A 206 60.386 55.878 -26.335 1.00 58.81 C +ATOM 1380 CG LYS A 206 60.845 56.685 -27.546 1.00 55.10 C +ATOM 1381 CD LYS A 206 60.740 55.825 -28.809 1.00 52.13 C +ATOM 1382 CE LYS A 206 61.157 56.634 -30.040 1.00 49.25 C +ATOM 1383 NZ LYS A 206 60.925 55.882 -31.289 1.00 43.71 N +ATOM 1384 N ASP A 207 58.348 56.150 -23.774 1.00 58.54 N +ATOM 1385 CA ASP A 207 57.498 55.409 -22.839 1.00 62.86 C +ATOM 1386 C ASP A 207 57.589 53.896 -23.077 1.00 60.23 C +ATOM 1387 O ASP A 207 57.765 53.419 -24.204 1.00 57.24 O +ATOM 1388 CB ASP A 207 56.032 55.895 -22.962 1.00 61.02 C +ATOM 1389 CG ASP A 207 55.866 57.411 -22.819 1.00 56.98 C +ATOM 1390 OD1 ASP A 207 56.748 58.042 -22.195 1.00 53.73 O +ATOM 1391 OD2 ASP A 207 54.923 57.943 -23.442 1.00 51.95 O +ATOM 1392 N GLY A 208 57.516 53.134 -21.995 1.00 61.34 N +ATOM 1393 CA GLY A 208 57.425 51.679 -22.053 1.00 62.07 C +ATOM 1394 C GLY A 208 56.169 51.242 -22.807 1.00 62.03 C +ATOM 1395 O GLY A 208 55.160 51.932 -22.817 1.00 59.83 O +ATOM 1396 N LYS A 209 56.234 50.086 -23.467 1.00 56.98 N +ATOM 1397 CA LYS A 209 55.028 49.499 -24.065 1.00 62.60 C +ATOM 1398 C LYS A 209 54.168 48.898 -22.963 1.00 61.97 C +ATOM 1399 O LYS A 209 54.690 48.181 -22.115 1.00 60.63 O +ATOM 1400 CB LYS A 209 55.375 48.416 -25.101 1.00 60.29 C +ATOM 1401 CG LYS A 209 56.019 48.989 -26.370 1.00 55.46 C +ATOM 1402 CD LYS A 209 56.223 47.870 -27.394 1.00 53.14 C +ATOM 1403 CE LYS A 209 56.834 48.429 -28.671 1.00 49.50 C +ATOM 1404 NZ LYS A 209 56.984 47.380 -29.712 1.00 44.46 N +ATOM 1405 N ASP A 210 52.861 49.128 -23.056 1.00 61.53 N +ATOM 1406 CA ASP A 210 51.887 48.534 -22.151 1.00 65.69 C +ATOM 1407 C ASP A 210 52.073 47.010 -22.060 1.00 63.44 C +ATOM 1408 O ASP A 210 52.377 46.326 -23.042 1.00 59.99 O +ATOM 1409 CB ASP A 210 50.454 48.872 -22.606 1.00 64.23 C +ATOM 1410 CG ASP A 210 50.164 50.372 -22.673 1.00 60.15 C +ATOM 1411 OD1 ASP A 210 50.820 51.131 -21.924 1.00 56.77 O +ATOM 1412 OD2 ASP A 210 49.343 50.750 -23.535 1.00 55.01 O +ATOM 1413 N GLY A 211 51.909 46.470 -20.852 1.00 63.75 N +ATOM 1414 CA GLY A 211 51.889 45.028 -20.636 1.00 64.22 C +ATOM 1415 C GLY A 211 50.750 44.373 -21.421 1.00 64.54 C +ATOM 1416 O GLY A 211 49.677 44.933 -21.585 1.00 62.31 O +ATOM 1417 N GLN A 212 51.000 43.174 -21.942 1.00 53.64 N +ATOM 1418 CA GLN A 212 49.923 42.419 -22.581 1.00 58.51 C +ATOM 1419 C GLN A 212 48.939 41.921 -21.525 1.00 57.90 C +ATOM 1420 O GLN A 212 49.355 41.307 -20.543 1.00 56.11 O +ATOM 1421 CB GLN A 212 50.476 41.242 -23.410 1.00 57.36 C +ATOM 1422 CG GLN A 212 51.166 41.728 -24.688 1.00 54.34 C +ATOM 1423 CD GLN A 212 51.654 40.589 -25.587 1.00 49.86 C +ATOM 1424 OE1 GLN A 212 51.959 39.476 -25.197 1.00 48.86 O +ATOM 1425 NE2 GLN A 212 51.792 40.848 -26.872 1.00 45.75 N +ATOM 1426 N ASN A 213 47.645 42.105 -21.772 1.00 59.97 N +ATOM 1427 CA ASN A 213 46.582 41.596 -20.905 1.00 64.05 C +ATOM 1428 C ASN A 213 46.762 40.089 -20.668 1.00 61.44 C +ATOM 1429 O ASN A 213 47.133 39.334 -21.572 1.00 58.48 O +ATOM 1430 CB ASN A 213 45.201 41.912 -21.520 1.00 62.17 C +ATOM 1431 CG ASN A 213 44.882 43.404 -21.602 1.00 57.93 C +ATOM 1432 OD1 ASN A 213 45.714 44.246 -21.307 1.00 55.73 O +ATOM 1433 ND2 ASN A 213 43.707 43.772 -22.034 1.00 53.39 N +ATOM 1434 N GLY A 214 46.513 39.664 -19.435 1.00 58.74 N +ATOM 1435 CA GLY A 214 46.469 38.241 -19.094 1.00 59.42 C +ATOM 1436 C GLY A 214 45.422 37.513 -19.939 1.00 59.28 C +ATOM 1437 O GLY A 214 44.388 38.071 -20.287 1.00 57.23 O +ATOM 1438 N LYS A 215 45.690 36.253 -20.293 1.00 52.05 N +ATOM 1439 CA LYS A 215 44.691 35.433 -20.990 1.00 58.20 C +ATOM 1440 C LYS A 215 43.558 35.077 -20.027 1.00 57.25 C +ATOM 1441 O LYS A 215 43.825 34.698 -18.896 1.00 56.49 O +ATOM 1442 CB LYS A 215 45.309 34.162 -21.578 1.00 57.20 C +ATOM 1443 CG LYS A 215 46.289 34.454 -22.718 1.00 53.79 C +ATOM 1444 CD LYS A 215 46.754 33.150 -23.367 1.00 51.70 C +ATOM 1445 CE LYS A 215 47.696 33.454 -24.532 1.00 48.51 C +ATOM 1446 NZ LYS A 215 48.038 32.226 -25.284 1.00 43.39 N +ATOM 1447 N ASP A 216 42.340 35.135 -20.533 1.00 54.84 N +ATOM 1448 CA ASP A 216 41.174 34.686 -19.792 1.00 58.89 C +ATOM 1449 C ASP A 216 41.372 33.258 -19.268 1.00 56.72 C +ATOM 1450 O ASP A 216 41.949 32.395 -19.933 1.00 54.16 O +ATOM 1451 CB ASP A 216 39.910 34.754 -20.665 1.00 58.25 C +ATOM 1452 CG ASP A 216 39.587 36.165 -21.177 1.00 56.01 C +ATOM 1453 OD1 ASP A 216 40.004 37.126 -20.502 1.00 53.33 O +ATOM 1454 OD2 ASP A 216 38.976 36.234 -22.257 1.00 51.34 O +ATOM 1455 N GLY A 217 40.895 33.008 -18.052 1.00 56.75 N +ATOM 1456 CA GLY A 217 40.895 31.662 -17.477 1.00 57.40 C +ATOM 1457 C GLY A 217 40.078 30.702 -18.343 1.00 56.47 C +ATOM 1458 O GLY A 217 39.027 31.048 -18.869 1.00 54.33 O +ATOM 1459 N LEU A 218 40.584 29.474 -18.500 1.00 50.83 N +ATOM 1460 CA LEU A 218 39.813 28.448 -19.195 1.00 56.06 C +ATOM 1461 C LEU A 218 38.539 28.118 -18.397 1.00 55.13 C +ATOM 1462 O LEU A 218 38.629 27.947 -17.180 1.00 55.62 O +ATOM 1463 CB LEU A 218 40.656 27.188 -19.442 1.00 55.74 C +ATOM 1464 CG LEU A 218 41.781 27.364 -20.472 1.00 52.49 C +ATOM 1465 CD1 LEU A 218 42.656 26.112 -20.496 1.00 51.26 C +ATOM 1466 CD2 LEU A 218 41.245 27.593 -21.881 1.00 50.11 C +ATOM 1467 N PRO A 219 37.379 27.961 -19.055 1.00 55.32 N +ATOM 1468 CA PRO A 219 36.168 27.503 -18.391 1.00 58.74 C +ATOM 1469 C PRO A 219 36.402 26.176 -17.661 1.00 56.46 C +ATOM 1470 O PRO A 219 37.063 25.275 -18.185 1.00 55.78 O +ATOM 1471 CB PRO A 219 35.119 27.363 -19.498 1.00 59.11 C +ATOM 1472 CG PRO A 219 35.584 28.311 -20.596 1.00 55.85 C +ATOM 1473 CD PRO A 219 37.099 28.237 -20.471 1.00 56.30 C +ATOM 1474 N GLY A 220 35.850 26.047 -16.463 1.00 52.04 N +ATOM 1475 CA GLY A 220 35.841 24.767 -15.747 1.00 53.73 C +ATOM 1476 C GLY A 220 35.143 23.680 -16.575 1.00 53.18 C +ATOM 1477 O GLY A 220 34.208 23.972 -17.321 1.00 51.75 O +ATOM 1478 N LYS A 221 35.628 22.436 -16.479 1.00 50.75 N +ATOM 1479 CA LYS A 221 34.923 21.290 -17.068 1.00 56.22 C +ATOM 1480 C LYS A 221 33.662 21.016 -16.255 1.00 55.57 C +ATOM 1481 O LYS A 221 33.709 21.098 -15.038 1.00 54.60 O +ATOM 1482 CB LYS A 221 35.806 20.045 -17.113 1.00 55.17 C +ATOM 1483 CG LYS A 221 36.980 20.192 -18.093 1.00 51.55 C +ATOM 1484 CD LYS A 221 37.743 18.872 -18.233 1.00 50.12 C +ATOM 1485 CE LYS A 221 38.895 19.024 -19.232 1.00 47.05 C +ATOM 1486 NZ LYS A 221 39.570 17.736 -19.486 1.00 42.58 N +ATOM 1487 N ASP A 222 32.568 20.645 -16.945 1.00 53.33 N +ATOM 1488 CA ASP A 222 31.317 20.264 -16.310 1.00 56.59 C +ATOM 1489 C ASP A 222 31.581 19.111 -15.330 1.00 54.71 C +ATOM 1490 O ASP A 222 32.177 18.089 -15.685 1.00 53.12 O +ATOM 1491 CB ASP A 222 30.275 19.902 -17.384 1.00 55.64 C +ATOM 1492 CG ASP A 222 30.044 21.025 -18.412 1.00 52.37 C +ATOM 1493 OD1 ASP A 222 30.272 22.215 -18.081 1.00 50.44 O +ATOM 1494 OD2 ASP A 222 29.759 20.682 -19.575 1.00 49.17 O +ATOM 1495 N GLY A 223 31.220 19.319 -14.062 1.00 49.91 N +ATOM 1496 CA GLY A 223 31.371 18.322 -13.012 1.00 51.37 C +ATOM 1497 C GLY A 223 30.091 17.512 -12.881 1.00 51.13 C +ATOM 1498 O GLY A 223 29.000 18.077 -12.874 1.00 49.46 O +ATOM 1499 N LYS A 224 30.226 16.203 -12.762 1.00 51.58 N +ATOM 1500 CA LYS A 224 29.143 15.379 -12.217 1.00 56.04 C +ATOM 1501 C LYS A 224 29.065 15.686 -10.722 1.00 55.15 C +ATOM 1502 O LYS A 224 30.076 15.571 -10.040 1.00 53.98 O +ATOM 1503 CB LYS A 224 29.395 13.892 -12.471 1.00 54.96 C +ATOM 1504 CG LYS A 224 29.274 13.536 -13.961 1.00 50.91 C +ATOM 1505 CD LYS A 224 29.448 12.030 -14.166 1.00 49.72 C +ATOM 1506 CE LYS A 224 29.275 11.678 -15.646 1.00 46.77 C +ATOM 1507 NZ LYS A 224 29.371 10.218 -15.865 1.00 42.52 N +ATOM 1508 N ASP A 225 27.899 16.080 -10.254 1.00 53.70 N +ATOM 1509 CA ASP A 225 27.552 16.326 -8.851 1.00 57.15 C +ATOM 1510 C ASP A 225 28.516 17.247 -8.078 1.00 55.91 C +ATOM 1511 O ASP A 225 29.456 16.805 -7.419 1.00 54.01 O +ATOM 1512 CB ASP A 225 27.305 14.997 -8.121 1.00 56.22 C +ATOM 1513 CG ASP A 225 26.179 14.174 -8.752 1.00 52.60 C +ATOM 1514 OD1 ASP A 225 25.309 14.790 -9.409 1.00 50.44 O +ATOM 1515 OD2 ASP A 225 26.211 12.939 -8.588 1.00 49.15 O +ATOM 1516 N GLY A 226 28.220 18.538 -8.078 1.00 51.06 N +ATOM 1517 CA GLY A 226 28.619 19.481 -7.025 1.00 52.30 C +ATOM 1518 C GLY A 226 30.125 19.651 -6.755 1.00 52.02 C +ATOM 1519 O GLY A 226 30.494 20.125 -5.682 1.00 50.40 O +ATOM 1520 N GLN A 227 30.987 19.263 -7.682 1.00 50.84 N +ATOM 1521 CA GLN A 227 32.413 19.559 -7.541 1.00 53.82 C +ATOM 1522 C GLN A 227 32.693 21.036 -7.833 1.00 53.74 C +ATOM 1523 O GLN A 227 32.217 21.596 -8.812 1.00 51.93 O +ATOM 1524 CB GLN A 227 33.279 18.645 -8.419 1.00 52.33 C +ATOM 1525 CG GLN A 227 33.318 17.220 -7.854 1.00 48.42 C +ATOM 1526 CD GLN A 227 34.321 16.306 -8.554 1.00 45.83 C +ATOM 1527 OE1 GLN A 227 35.007 16.628 -9.500 1.00 43.73 O +ATOM 1528 NE2 GLN A 227 34.457 15.079 -8.080 1.00 42.02 N +ATOM 1529 N ASP A 228 33.479 21.630 -6.943 1.00 58.29 N +ATOM 1530 CA ASP A 228 33.917 23.008 -7.095 1.00 61.59 C +ATOM 1531 C ASP A 228 34.665 23.208 -8.421 1.00 61.54 C +ATOM 1532 O ASP A 228 35.452 22.368 -8.857 1.00 58.71 O +ATOM 1533 CB ASP A 228 34.838 23.396 -5.936 1.00 59.39 C +ATOM 1534 CG ASP A 228 34.162 23.368 -4.564 1.00 55.12 C +ATOM 1535 OD1 ASP A 228 32.965 23.693 -4.502 1.00 53.30 O +ATOM 1536 OD2 ASP A 228 34.882 23.110 -3.587 1.00 51.86 O +ATOM 1537 N GLY A 229 34.431 24.349 -9.065 1.00 59.64 N +ATOM 1538 CA GLY A 229 35.207 24.731 -10.237 1.00 60.37 C +ATOM 1539 C GLY A 229 36.702 24.791 -9.901 1.00 60.13 C +ATOM 1540 O GLY A 229 37.084 25.233 -8.817 1.00 58.00 O +ATOM 1541 N LYS A 230 37.524 24.341 -10.823 1.00 61.36 N +ATOM 1542 CA LYS A 230 38.979 24.439 -10.635 1.00 66.60 C +ATOM 1543 C LYS A 230 39.404 25.904 -10.605 1.00 67.05 C +ATOM 1544 O LYS A 230 38.903 26.700 -11.395 1.00 65.09 O +ATOM 1545 CB LYS A 230 39.743 23.679 -11.729 1.00 63.86 C +ATOM 1546 CG LYS A 230 39.531 22.169 -11.613 1.00 59.12 C +ATOM 1547 CD LYS A 230 40.425 21.417 -12.599 1.00 57.85 C +ATOM 1548 CE LYS A 230 40.206 19.916 -12.429 1.00 53.64 C +ATOM 1549 NZ LYS A 230 41.153 19.128 -13.248 1.00 47.92 N +ATOM 1550 N ASP A 231 40.349 26.201 -9.736 1.00 65.32 N +ATOM 1551 CA ASP A 231 40.941 27.531 -9.659 1.00 69.09 C +ATOM 1552 C ASP A 231 41.483 27.958 -11.037 1.00 68.72 C +ATOM 1553 O ASP A 231 42.043 27.152 -11.788 1.00 64.27 O +ATOM 1554 CB ASP A 231 42.048 27.572 -8.598 1.00 66.02 C +ATOM 1555 CG ASP A 231 41.567 27.275 -7.171 1.00 62.42 C +ATOM 1556 OD1 ASP A 231 40.372 27.545 -6.877 1.00 59.47 O +ATOM 1557 OD2 ASP A 231 42.382 26.765 -6.384 1.00 57.48 O +ATOM 1558 N GLY A 232 41.295 29.227 -11.366 1.00 65.55 N +ATOM 1559 CA GLY A 232 41.871 29.799 -12.580 1.00 66.01 C +ATOM 1560 C GLY A 232 43.399 29.716 -12.564 1.00 66.36 C +ATOM 1561 O GLY A 232 44.023 29.829 -11.510 1.00 63.67 O +ATOM 1562 N LEU A 233 43.969 29.495 -13.727 1.00 62.11 N +ATOM 1563 CA LEU A 233 45.430 29.505 -13.822 1.00 67.16 C +ATOM 1564 C LEU A 233 45.969 30.906 -13.491 1.00 66.70 C +ATOM 1565 O LEU A 233 45.365 31.898 -13.924 1.00 65.98 O +ATOM 1566 CB LEU A 233 45.879 29.061 -15.227 1.00 65.63 C +ATOM 1567 CG LEU A 233 45.618 27.581 -15.548 1.00 61.38 C +ATOM 1568 CD1 LEU A 233 45.949 27.310 -17.019 1.00 58.60 C +ATOM 1569 CD2 LEU A 233 46.459 26.639 -14.699 1.00 57.46 C +ATOM 1570 N PRO A 234 47.111 31.004 -12.785 1.00 65.23 N +ATOM 1571 CA PRO A 234 47.763 32.289 -12.554 1.00 69.04 C +ATOM 1572 C PRO A 234 48.021 33.025 -13.874 1.00 67.65 C +ATOM 1573 O PRO A 234 48.364 32.415 -14.891 1.00 65.27 O +ATOM 1574 CB PRO A 234 49.072 31.976 -11.818 1.00 68.33 C +ATOM 1575 CG PRO A 234 48.798 30.641 -11.149 1.00 64.00 C +ATOM 1576 CD PRO A 234 47.863 29.933 -12.115 1.00 65.65 C +ATOM 1577 N GLY A 235 47.845 34.330 -13.838 1.00 68.73 N +ATOM 1578 CA GLY A 235 48.248 35.181 -14.964 1.00 70.53 C +ATOM 1579 C GLY A 235 49.753 35.051 -15.234 1.00 70.67 C +ATOM 1580 O GLY A 235 50.528 34.760 -14.329 1.00 68.36 O +ATOM 1581 N LYS A 236 50.139 35.232 -16.493 1.00 65.15 N +ATOM 1582 CA LYS A 236 51.567 35.256 -16.824 1.00 70.62 C +ATOM 1583 C LYS A 236 52.206 36.524 -16.262 1.00 70.47 C +ATOM 1584 O LYS A 236 51.605 37.585 -16.341 1.00 68.83 O +ATOM 1585 CB LYS A 236 51.790 35.182 -18.343 1.00 67.69 C +ATOM 1586 CG LYS A 236 51.387 33.829 -18.923 1.00 62.85 C +ATOM 1587 CD LYS A 236 51.776 33.765 -20.398 1.00 59.75 C +ATOM 1588 CE LYS A 236 51.446 32.391 -20.975 1.00 56.49 C +ATOM 1589 NZ LYS A 236 51.972 32.259 -22.341 1.00 49.81 N +ATOM 1590 N ASP A 237 53.429 36.382 -15.791 1.00 69.42 N +ATOM 1591 CA ASP A 237 54.220 37.524 -15.353 1.00 73.65 C +ATOM 1592 C ASP A 237 54.334 38.573 -16.468 1.00 72.32 C +ATOM 1593 O ASP A 237 54.418 38.254 -17.662 1.00 67.24 O +ATOM 1594 CB ASP A 237 55.617 37.060 -14.892 1.00 70.17 C +ATOM 1595 CG ASP A 237 55.567 36.071 -13.722 1.00 65.79 C +ATOM 1596 OD1 ASP A 237 54.637 36.187 -12.887 1.00 62.14 O +ATOM 1597 OD2 ASP A 237 56.435 35.176 -13.699 1.00 59.68 O +ATOM 1598 N GLY A 238 54.307 39.826 -16.061 1.00 75.31 N +ATOM 1599 CA GLY A 238 54.552 40.931 -16.985 1.00 75.79 C +ATOM 1600 C GLY A 238 55.947 40.827 -17.611 1.00 75.42 C +ATOM 1601 O GLY A 238 56.875 40.306 -16.999 1.00 72.92 O +ATOM 1602 N LYS A 239 56.070 41.308 -18.844 1.00 71.67 N +ATOM 1603 CA LYS A 239 57.392 41.357 -19.482 1.00 75.13 C +ATOM 1604 C LYS A 239 58.236 42.444 -18.829 1.00 74.89 C +ATOM 1605 O LYS A 239 57.732 43.532 -18.571 1.00 73.29 O +ATOM 1606 CB LYS A 239 57.278 41.611 -20.989 1.00 71.38 C +ATOM 1607 CG LYS A 239 56.655 40.428 -21.733 1.00 65.88 C +ATOM 1608 CD LYS A 239 56.617 40.721 -23.235 1.00 63.23 C +ATOM 1609 CE LYS A 239 55.981 39.542 -23.969 1.00 58.91 C +ATOM 1610 NZ LYS A 239 55.837 39.836 -25.404 1.00 52.63 N +ATOM 1611 N ASP A 240 59.511 42.143 -18.664 1.00 73.14 N +ATOM 1612 CA ASP A 240 60.468 43.129 -18.180 1.00 75.57 C +ATOM 1613 C ASP A 240 60.460 44.381 -19.062 1.00 74.23 C +ATOM 1614 O ASP A 240 60.331 44.306 -20.292 1.00 69.12 O +ATOM 1615 CB ASP A 240 61.885 42.521 -18.141 1.00 72.12 C +ATOM 1616 CG ASP A 240 62.017 41.332 -17.196 1.00 67.87 C +ATOM 1617 OD1 ASP A 240 61.236 41.265 -16.221 1.00 64.60 O +ATOM 1618 OD2 ASP A 240 62.904 40.496 -17.470 1.00 61.72 O +ATOM 1619 N GLY A 241 60.604 45.522 -18.410 1.00 75.68 N +ATOM 1620 CA GLY A 241 60.773 46.784 -19.128 1.00 76.11 C +ATOM 1621 C GLY A 241 62.005 46.748 -20.045 1.00 76.27 C +ATOM 1622 O GLY A 241 63.005 46.095 -19.756 1.00 73.30 O +ATOM 1623 N LEU A 242 61.920 47.458 -21.162 1.00 68.42 N +ATOM 1624 CA LEU A 242 63.075 47.552 -22.059 1.00 71.98 C +ATOM 1625 C LEU A 242 64.202 48.350 -21.381 1.00 71.90 C +ATOM 1626 O LEU A 242 63.924 49.381 -20.769 1.00 70.77 O +ATOM 1627 CB LEU A 242 62.682 48.194 -23.397 1.00 69.80 C +ATOM 1628 CG LEU A 242 61.770 47.328 -24.284 1.00 64.50 C +ATOM 1629 CD1 LEU A 242 61.314 48.136 -25.500 1.00 60.51 C +ATOM 1630 CD2 LEU A 242 62.466 46.073 -24.801 1.00 59.76 C +ATOM 1631 N PRO A 243 65.464 47.919 -21.540 1.00 68.43 N +ATOM 1632 CA PRO A 243 66.595 48.685 -21.030 1.00 71.44 C +ATOM 1633 C PRO A 243 66.619 50.107 -21.598 1.00 69.87 C +ATOM 1634 O PRO A 243 66.307 50.323 -22.773 1.00 67.41 O +ATOM 1635 CB PRO A 243 67.851 47.911 -21.444 1.00 70.03 C +ATOM 1636 CG PRO A 243 67.357 46.479 -21.615 1.00 65.27 C +ATOM 1637 CD PRO A 243 65.935 46.658 -22.115 1.00 66.47 C +ATOM 1638 N GLY A 244 67.014 51.038 -20.776 1.00 74.80 N +ATOM 1639 CA GLY A 244 67.271 52.396 -21.247 1.00 75.70 C +ATOM 1640 C GLY A 244 68.317 52.415 -22.371 1.00 74.87 C +ATOM 1641 O GLY A 244 69.189 51.551 -22.443 1.00 72.70 O +ATOM 1642 N LYS A 245 68.200 53.389 -23.268 1.00 69.15 N +ATOM 1643 CA LYS A 245 69.192 53.546 -24.351 1.00 72.83 C +ATOM 1644 C LYS A 245 70.529 54.001 -23.766 1.00 72.37 C +ATOM 1645 O LYS A 245 70.556 54.843 -22.879 1.00 70.75 O +ATOM 1646 CB LYS A 245 68.708 54.540 -25.405 1.00 69.43 C +ATOM 1647 CG LYS A 245 67.505 54.009 -26.199 1.00 63.98 C +ATOM 1648 CD LYS A 245 67.122 55.002 -27.284 1.00 60.64 C +ATOM 1649 CE LYS A 245 65.927 54.482 -28.083 1.00 57.20 C +ATOM 1650 NZ LYS A 245 65.541 55.443 -29.140 1.00 50.60 N +ATOM 1651 N ASP A 246 71.609 53.471 -24.336 1.00 69.72 N +ATOM 1652 CA ASP A 246 72.961 53.887 -23.966 1.00 72.09 C +ATOM 1653 C ASP A 246 73.165 55.387 -24.220 1.00 69.94 C +ATOM 1654 O ASP A 246 72.648 55.955 -25.192 1.00 65.42 O +ATOM 1655 CB ASP A 246 74.002 53.037 -24.716 1.00 68.94 C +ATOM 1656 CG ASP A 246 73.906 51.553 -24.395 1.00 63.97 C +ATOM 1657 OD1 ASP A 246 73.452 51.208 -23.282 1.00 60.84 O +ATOM 1658 OD2 ASP A 246 74.255 50.716 -25.258 1.00 58.77 O +ATOM 1659 N GLY A 247 73.923 56.008 -23.339 1.00 75.94 N +ATOM 1660 CA GLY A 247 74.325 57.401 -23.523 1.00 75.95 C +ATOM 1661 C GLY A 247 75.123 57.584 -24.822 1.00 75.40 C +ATOM 1662 O GLY A 247 75.814 56.679 -25.275 1.00 73.30 O +ATOM 1663 N LYS A 248 74.986 58.757 -25.429 1.00 69.47 N +ATOM 1664 CA LYS A 248 75.787 59.070 -26.627 1.00 72.70 C +ATOM 1665 C LYS A 248 77.255 59.232 -26.250 1.00 72.76 C +ATOM 1666 O LYS A 248 77.560 59.858 -25.244 1.00 71.25 O +ATOM 1667 CB LYS A 248 75.279 60.341 -27.320 1.00 69.22 C +ATOM 1668 CG LYS A 248 73.904 60.166 -27.960 1.00 62.86 C +ATOM 1669 CD LYS A 248 73.496 61.454 -28.673 1.00 59.90 C +ATOM 1670 CE LYS A 248 72.118 61.320 -29.321 1.00 56.48 C +ATOM 1671 NZ LYS A 248 71.702 62.589 -29.962 1.00 50.37 N +ATOM 1672 N ASP A 249 78.145 58.725 -27.117 1.00 69.01 N +ATOM 1673 CA ASP A 249 79.580 58.905 -26.958 1.00 71.49 C +ATOM 1674 C ASP A 249 79.953 60.394 -26.887 1.00 69.31 C +ATOM 1675 O ASP A 249 79.397 61.233 -27.612 1.00 65.04 O +ATOM 1676 CB ASP A 249 80.346 58.211 -28.106 1.00 68.47 C +ATOM 1677 CG ASP A 249 80.130 56.701 -28.171 1.00 63.24 C +ATOM 1678 OD1 ASP A 249 79.937 56.093 -27.096 1.00 59.60 O +ATOM 1679 OD2 ASP A 249 80.157 56.170 -29.302 1.00 57.57 O +ATOM 1680 N GLY A 250 80.887 60.701 -26.021 1.00 76.59 N +ATOM 1681 CA GLY A 250 81.436 62.050 -25.929 1.00 76.03 C +ATOM 1682 C GLY A 250 82.122 62.471 -27.230 1.00 75.70 C +ATOM 1683 O GLY A 250 82.721 61.660 -27.927 1.00 73.38 O +ATOM 1684 N GLN A 251 82.037 63.736 -27.566 1.00 70.33 N +ATOM 1685 CA GLN A 251 82.741 64.251 -28.745 1.00 73.51 C +ATOM 1686 C GLN A 251 84.263 64.209 -28.526 1.00 72.73 C +ATOM 1687 O GLN A 251 84.724 64.564 -27.444 1.00 71.23 O +ATOM 1688 CB GLN A 251 82.289 65.671 -29.102 1.00 70.82 C +ATOM 1689 CG GLN A 251 80.865 65.705 -29.674 1.00 64.89 C +ATOM 1690 CD GLN A 251 80.451 67.074 -30.209 1.00 60.30 C +ATOM 1691 OE1 GLN A 251 81.106 68.090 -30.054 1.00 58.81 O +ATOM 1692 NE2 GLN A 251 79.326 67.166 -30.888 1.00 54.55 N +ATOM 1693 N PRO A 252 85.025 63.829 -29.559 1.00 65.34 N +ATOM 1694 CA PRO A 252 86.480 63.833 -29.455 1.00 68.19 C +ATOM 1695 C PRO A 252 87.014 65.225 -29.111 1.00 65.01 C +ATOM 1696 O PRO A 252 86.573 66.237 -29.668 1.00 62.24 O +ATOM 1697 CB PRO A 252 87.001 63.355 -30.810 1.00 67.87 C +ATOM 1698 CG PRO A 252 85.835 62.562 -31.405 1.00 62.69 C +ATOM 1699 CD PRO A 252 84.610 63.265 -30.851 1.00 63.62 C +ATOM 1700 N GLY A 253 87.996 65.255 -28.225 1.00 71.40 N +ATOM 1701 CA GLY A 253 88.666 66.498 -27.873 1.00 72.14 C +ATOM 1702 C GLY A 253 89.325 67.154 -29.094 1.00 71.59 C +ATOM 1703 O GLY A 253 89.894 66.479 -29.949 1.00 69.06 O +ATOM 1704 N LYS A 254 89.246 68.474 -29.168 1.00 63.66 N +ATOM 1705 CA LYS A 254 89.929 69.210 -30.239 1.00 71.71 C +ATOM 1706 C LYS A 254 91.444 69.055 -30.100 1.00 68.64 C +ATOM 1707 O LYS A 254 91.958 69.171 -28.990 1.00 68.32 O +ATOM 1708 CB LYS A 254 89.534 70.697 -30.228 1.00 69.70 C +ATOM 1709 CG LYS A 254 88.078 70.917 -30.644 1.00 63.80 C +ATOM 1710 CD LYS A 254 87.733 72.411 -30.661 1.00 61.28 C +ATOM 1711 CE LYS A 254 86.265 72.611 -31.045 1.00 57.46 C +ATOM 1712 NZ LYS A 254 85.857 74.036 -30.976 1.00 50.92 N +ATOM 1713 N PRO A 255 92.168 68.830 -31.222 1.00 60.18 N +ATOM 1714 CA PRO A 255 93.620 68.716 -31.164 1.00 64.29 C +ATOM 1715 C PRO A 255 94.237 70.016 -30.620 1.00 59.50 C +ATOM 1716 O PRO A 255 93.835 71.117 -30.999 1.00 56.97 O +ATOM 1717 CB PRO A 255 94.081 68.367 -32.582 1.00 65.06 C +ATOM 1718 CG PRO A 255 92.922 68.813 -33.474 1.00 61.45 C +ATOM 1719 CD PRO A 255 91.692 68.682 -32.599 1.00 62.84 C +ATOM 1720 N GLY A 256 95.219 69.835 -29.740 1.00 63.41 N +ATOM 1721 CA GLY A 256 95.957 70.955 -29.178 1.00 64.94 C +ATOM 1722 C GLY A 256 96.668 71.762 -30.283 1.00 60.88 C +ATOM 1723 O GLY A 256 97.223 71.186 -31.216 1.00 57.32 O +ATOM 1724 N LYS A 257 96.670 73.112 -30.186 1.00 61.36 N +ATOM 1725 CA LYS A 257 97.487 73.994 -31.041 1.00 69.19 C +ATOM 1726 C LYS A 257 98.913 73.994 -30.507 1.00 61.84 C +ATOM 1727 O LYS A 257 99.096 74.141 -29.304 1.00 59.01 O +ATOM 1728 CB LYS A 257 96.903 75.413 -31.085 1.00 67.74 C +ATOM 1729 CG LYS A 257 95.580 75.482 -31.838 1.00 59.86 C +ATOM 1730 CD LYS A 257 95.105 76.951 -31.953 1.00 57.33 C +ATOM 1731 CE LYS A 257 93.817 77.053 -32.787 1.00 54.09 C +ATOM 1732 NZ LYS A 257 93.407 78.448 -32.967 1.00 47.78 N +ATOM 1733 N TYR A 258 99.880 73.815 -31.447 1.00 65.39 N +ATOM 1734 CA TYR A 258 101.315 73.976 -31.186 1.00 68.41 C +ATOM 1735 C TYR A 258 101.665 75.431 -30.894 1.00 58.01 C +ATOM 1736 O TYR A 258 101.020 76.321 -31.489 1.00 51.29 O +ATOM 1737 CB TYR A 258 102.124 73.482 -32.394 1.00 61.85 C +ATOM 1738 CG TYR A 258 102.181 71.969 -32.536 1.00 54.03 C +ATOM 1739 CD1 TYR A 258 103.162 71.251 -31.836 1.00 48.90 C +ATOM 1740 CD2 TYR A 258 101.278 71.284 -33.378 1.00 47.67 C +ATOM 1741 CE1 TYR A 258 103.239 69.849 -31.970 1.00 43.67 C +ATOM 1742 CE2 TYR A 258 101.342 69.886 -33.498 1.00 53.90 C +ATOM 1743 CZ TYR A 258 102.332 69.175 -32.798 1.00 46.72 C +ATOM 1744 OH TYR A 258 102.403 67.824 -32.921 1.00 49.25 O +ATOM 1745 OXT TYR A 258 102.611 75.579 -30.077 1.00 46.90 O +TER 1746 TYR A 258 +END diff --git a/protein_pdb_192.txt b/protein_pdb_192.txt new file mode 100644 index 0000000000000000000000000000000000000000..24e9f86100f125aa11dc2ff693d7fa35aeebc252 --- /dev/null +++ b/protein_pdb_192.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -9.875 14.097 1.845 1.00 93.80 N +ATOM 2 CA GLY A 1 -9.865 13.019 0.917 1.00 94.32 C +ATOM 3 C GLY A 1 -10.014 11.650 1.550 1.00 94.81 C +ATOM 4 O GLY A 1 -9.852 11.503 2.762 1.00 93.62 O +ATOM 5 N PRO A 2 -10.266 10.669 0.752 1.00 94.20 N +ATOM 6 CA PRO A 2 -10.440 9.311 1.244 1.00 94.28 C +ATOM 7 C PRO A 2 -9.108 8.653 1.561 1.00 94.04 C +ATOM 8 O PRO A 2 -8.055 9.118 1.139 1.00 93.15 O +ATOM 9 CB PRO A 2 -11.131 8.623 0.075 1.00 91.73 C +ATOM 10 CG PRO A 2 -10.594 9.339 -1.112 1.00 88.69 C +ATOM 11 CD PRO A 2 -10.482 10.776 -0.682 1.00 91.55 C +HETATM 12 N HYP A 3 -9.192 7.553 2.306 1.00 93.98 N +HETATM 13 CA HYP A 3 -7.983 6.804 2.602 1.00 92.18 C +HETATM 14 C HYP A 3 -7.352 6.246 1.321 1.00 95.07 C +HETATM 15 O HYP A 3 -8.088 5.955 0.348 1.00 95.47 O +HETATM 16 CB HYP A 3 -8.551 5.604 3.450 1.00 92.70 C +HETATM 17 CG HYP A 3 -9.780 6.191 4.101 1.00 90.93 C +HETATM 18 CD HYP A 3 -10.357 7.103 2.987 1.00 92.82 C +HETATM 19 OD1 HYP A 3 -9.392 6.964 5.184 1.00 91.44 O +ATOM 20 N GLY A 4 -6.059 6.181 1.317 1.00 93.72 N +ATOM 21 CA GLY A 4 -5.360 5.639 0.182 1.00 92.78 C +ATOM 22 C GLY A 4 -5.583 4.143 0.063 1.00 92.90 C +ATOM 23 O GLY A 4 -6.107 3.500 0.973 1.00 92.95 O +ATOM 24 N PRO A 5 -5.176 3.564 -1.066 1.00 94.21 N +ATOM 25 CA PRO A 5 -5.346 2.136 -1.273 1.00 93.98 C +ATOM 26 C PRO A 5 -4.373 1.321 -0.438 1.00 93.63 C +ATOM 27 O PRO A 5 -3.372 1.842 0.043 1.00 93.02 O +ATOM 28 CB PRO A 5 -5.075 1.971 -2.769 1.00 92.13 C +ATOM 29 CG PRO A 5 -4.100 3.057 -3.060 1.00 90.65 C +ATOM 30 CD PRO A 5 -4.535 4.211 -2.206 1.00 93.33 C +HETATM 31 N HYP A 6 -4.699 0.024 -0.269 1.00 93.75 N +HETATM 32 CA HYP A 6 -3.789 -0.877 0.399 1.00 94.19 C +HETATM 33 C HYP A 6 -2.439 -0.928 -0.291 1.00 95.09 C +HETATM 34 O HYP A 6 -2.371 -0.738 -1.541 1.00 94.73 O +HETATM 35 CB HYP A 6 -4.520 -2.234 0.300 1.00 91.82 C +HETATM 36 CG HYP A 6 -5.995 -1.882 0.210 1.00 91.30 C +HETATM 37 CD HYP A 6 -5.963 -0.611 -0.641 1.00 92.88 C +HETATM 38 OD1 HYP A 6 -6.488 -1.575 1.485 1.00 90.67 O +ATOM 39 N GLY A 7 -1.396 -1.118 0.441 1.00 94.11 N +ATOM 40 CA GLY A 7 -0.084 -1.247 -0.120 1.00 93.69 C +ATOM 41 C GLY A 7 0.033 -2.512 -0.950 1.00 94.02 C +ATOM 42 O GLY A 7 -0.822 -3.394 -0.889 1.00 93.89 O +ATOM 43 N PRO A 8 1.094 -2.610 -1.729 1.00 94.02 N +ATOM 44 CA PRO A 8 1.277 -3.778 -2.578 1.00 93.86 C +ATOM 45 C PRO A 8 1.679 -5.010 -1.787 1.00 94.04 C +ATOM 46 O PRO A 8 2.262 -4.912 -0.710 1.00 92.20 O +ATOM 47 CB PRO A 8 2.388 -3.352 -3.535 1.00 91.78 C +ATOM 48 CG PRO A 8 3.173 -2.373 -2.741 1.00 90.39 C +ATOM 49 CD PRO A 8 2.159 -1.633 -1.905 1.00 92.86 C +HETATM 50 N HYP A 9 1.363 -6.184 -2.386 1.00 93.67 N +HETATM 51 CA HYP A 9 1.752 -7.434 -1.788 1.00 92.98 C +HETATM 52 C HYP A 9 3.268 -7.559 -1.770 1.00 94.07 C +HETATM 53 O HYP A 9 3.943 -7.025 -2.652 1.00 93.94 O +HETATM 54 CB HYP A 9 1.226 -8.532 -2.730 1.00 91.30 C +HETATM 55 CG HYP A 9 0.135 -7.885 -3.494 1.00 90.53 C +HETATM 56 CD HYP A 9 0.561 -6.447 -3.603 1.00 92.88 C +HETATM 57 OD1 HYP A 9 -1.053 -7.963 -2.735 1.00 89.62 O +ATOM 58 N GLY A 10 3.885 -8.215 -0.924 1.00 93.11 N +ATOM 59 CA GLY A 10 5.314 -8.398 -0.916 1.00 91.18 C +ATOM 60 C GLY A 10 5.697 -9.780 -0.438 1.00 91.29 C +ATOM 61 O GLY A 10 4.861 -10.592 -0.044 1.00 89.85 O +ATOM 62 N ARG A 11 6.982 -10.038 -0.456 1.00 90.91 N +ATOM 63 CA ARG A 11 7.504 -11.326 -0.007 1.00 91.64 C +ATOM 64 C ARG A 11 7.240 -11.556 1.471 1.00 90.77 C +ATOM 65 O ARG A 11 7.193 -12.700 1.915 1.00 87.44 O +ATOM 66 CB ARG A 11 9.009 -11.387 -0.246 1.00 88.88 C +ATOM 67 CG ARG A 11 9.417 -11.389 -1.701 1.00 83.87 C +ATOM 68 CD ARG A 11 10.931 -11.347 -1.820 1.00 80.29 C +ATOM 69 NE ARG A 11 11.393 -11.377 -3.204 1.00 75.87 N +ATOM 70 CZ ARG A 11 11.633 -12.490 -3.888 1.00 71.75 C +ATOM 71 NH1 ARG A 11 11.471 -13.670 -3.318 1.00 69.46 N +ATOM 72 NH2 ARG A 11 12.043 -12.414 -5.135 1.00 66.71 N +ATOM 73 N GLU A 12 7.116 -10.486 2.224 1.00 91.00 N +ATOM 74 CA GLU A 12 7.015 -10.576 3.674 1.00 91.05 C +ATOM 75 C GLU A 12 5.605 -10.366 4.225 1.00 91.57 C +ATOM 76 O GLU A 12 5.436 -10.296 5.444 1.00 86.81 O +ATOM 77 CB GLU A 12 7.985 -9.590 4.309 1.00 87.37 C +ATOM 78 CG GLU A 12 9.433 -9.886 3.948 1.00 81.17 C +ATOM 79 CD GLU A 12 10.417 -8.947 4.610 1.00 76.02 C +ATOM 80 OE1 GLU A 12 9.984 -7.963 5.229 1.00 70.30 O +ATOM 81 OE2 GLU A 12 11.626 -9.200 4.497 1.00 71.71 O +ATOM 82 N GLY A 13 4.613 -10.268 3.379 1.00 93.59 N +ATOM 83 CA GLY A 13 3.277 -10.101 3.905 1.00 92.59 C +ATOM 84 C GLY A 13 2.238 -9.686 2.900 1.00 93.43 C +ATOM 85 O GLY A 13 2.525 -9.512 1.715 1.00 92.92 O +ATOM 86 N PRO A 14 1.016 -9.547 3.380 1.00 94.82 N +ATOM 87 CA PRO A 14 -0.109 -9.165 2.545 1.00 94.87 C +ATOM 88 C PRO A 14 -0.070 -7.682 2.203 1.00 95.21 C +ATOM 89 O PRO A 14 0.866 -6.975 2.576 1.00 94.33 O +ATOM 90 CB PRO A 14 -1.317 -9.507 3.416 1.00 93.51 C +ATOM 91 CG PRO A 14 -0.828 -9.261 4.798 1.00 92.03 C +ATOM 92 CD PRO A 14 0.607 -9.714 4.783 1.00 93.61 C +HETATM 93 N HYP A 15 -1.130 -7.253 1.505 1.00 93.79 N +HETATM 94 CA HYP A 15 -1.208 -5.847 1.184 1.00 94.07 C +HETATM 95 C HYP A 15 -1.051 -4.994 2.416 1.00 95.18 C +HETATM 96 O HYP A 15 -1.511 -5.403 3.526 1.00 94.81 O +HETATM 97 CB HYP A 15 -2.614 -5.690 0.579 1.00 92.19 C +HETATM 98 CG HYP A 15 -2.917 -7.041 0.004 1.00 90.95 C +HETATM 99 CD HYP A 15 -2.269 -7.999 1.003 1.00 92.86 C +HETATM 100 OD1 HYP A 15 -2.324 -7.153 -1.239 1.00 91.17 O +ATOM 101 N GLY A 16 -0.419 -3.874 2.270 1.00 95.10 N +ATOM 102 CA GLY A 16 -0.255 -2.962 3.363 1.00 94.75 C +ATOM 103 C GLY A 16 -1.567 -2.307 3.735 1.00 95.11 C +ATOM 104 O GLY A 16 -2.575 -2.471 3.048 1.00 94.96 O +ATOM 105 N PRO A 17 -1.558 -1.554 4.823 1.00 93.94 N +ATOM 106 CA PRO A 17 -2.764 -0.872 5.262 1.00 93.39 C +ATOM 107 C PRO A 17 -3.125 0.273 4.324 1.00 93.73 C +ATOM 108 O PRO A 17 -2.298 0.735 3.545 1.00 92.73 O +ATOM 109 CB PRO A 17 -2.400 -0.363 6.652 1.00 91.86 C +ATOM 110 CG PRO A 17 -0.930 -0.172 6.582 1.00 90.56 C +ATOM 111 CD PRO A 17 -0.430 -1.284 5.707 1.00 92.66 C +HETATM 112 N HYP A 18 -4.384 0.709 4.409 1.00 92.67 N +HETATM 113 CA HYP A 18 -4.781 1.854 3.655 1.00 91.48 C +HETATM 114 C HYP A 18 -3.961 3.071 3.949 1.00 93.86 C +HETATM 115 O HYP A 18 -3.505 3.247 5.110 1.00 92.83 O +HETATM 116 CB HYP A 18 -6.261 2.026 4.074 1.00 90.87 C +HETATM 117 CG HYP A 18 -6.709 0.631 4.451 1.00 89.73 C +HETATM 118 CD HYP A 18 -5.474 0.078 5.133 1.00 92.44 C +HETATM 119 OD1 HYP A 18 -7.003 -0.117 3.297 1.00 89.63 O +ATOM 120 N GLY A 19 -3.722 3.856 2.959 1.00 91.22 N +ATOM 121 CA GLY A 19 -2.985 5.070 3.137 1.00 90.65 C +ATOM 122 C GLY A 19 -3.760 6.061 3.979 1.00 90.51 C +ATOM 123 O GLY A 19 -4.932 5.853 4.287 1.00 91.31 O +ATOM 124 N PRO A 20 -3.111 7.150 4.354 1.00 91.30 N +ATOM 125 CA PRO A 20 -3.769 8.152 5.180 1.00 90.96 C +ATOM 126 C PRO A 20 -4.822 8.921 4.405 1.00 90.62 C +ATOM 127 O PRO A 20 -4.782 8.991 3.179 1.00 90.78 O +ATOM 128 CB PRO A 20 -2.617 9.060 5.605 1.00 88.53 C +ATOM 129 CG PRO A 20 -1.654 8.947 4.480 1.00 85.89 C +ATOM 130 CD PRO A 20 -1.737 7.512 4.040 1.00 88.75 C +HETATM 131 N HYP A 21 -5.755 9.484 5.141 1.00 92.76 N +HETATM 132 CA HYP A 21 -6.735 10.331 4.529 1.00 91.59 C +HETATM 133 C HYP A 21 -6.148 11.536 3.850 1.00 92.27 C +HETATM 134 O HYP A 21 -5.127 12.059 4.347 1.00 94.02 O +HETATM 135 CB HYP A 21 -7.617 10.788 5.727 1.00 90.84 C +HETATM 136 CG HYP A 21 -7.429 9.728 6.777 1.00 88.94 C +HETATM 137 CD HYP A 21 -5.981 9.317 6.586 1.00 92.23 C +HETATM 138 OD1 HYP A 21 -8.269 8.623 6.469 1.00 89.73 O +ATOM 139 N GLY A 22 -6.649 11.908 2.749 1.00 92.44 N +ATOM 140 CA GLY A 22 -6.210 13.114 2.107 1.00 90.87 C +ATOM 141 C GLY A 22 -6.740 14.318 2.873 1.00 90.52 C +ATOM 142 O GLY A 22 -7.550 14.174 3.788 1.00 90.49 O +ATOM 143 N PRO A 23 -6.313 15.522 2.519 1.00 94.60 N +ATOM 144 CA PRO A 23 -6.818 16.718 3.182 1.00 94.39 C +ATOM 145 C PRO A 23 -8.250 16.979 2.733 1.00 93.02 C +ATOM 146 O PRO A 23 -8.487 17.293 1.570 1.00 89.29 O +ATOM 147 CB PRO A 23 -5.855 17.810 2.717 1.00 92.00 C +ATOM 148 CG PRO A 23 -5.363 17.325 1.406 1.00 89.13 C +ATOM 149 CD PRO A 23 -5.310 15.825 1.511 1.00 92.81 C +HETATM 150 N HYP A 24 -9.216 16.720 3.546 1.00 96.19 N +HETATM 151 CA HYP A 24 -10.613 16.473 3.036 1.00 91.42 C +HETATM 152 C HYP A 24 -10.906 15.330 2.264 1.00 95.18 C +HETATM 153 O HYP A 24 -11.548 15.496 1.135 1.00 93.81 O +HETATM 154 CB HYP A 24 -11.532 16.921 4.124 1.00 91.27 C +HETATM 155 CG HYP A 24 -10.666 17.297 5.346 1.00 90.88 C +HETATM 156 CD HYP A 24 -9.218 17.340 4.799 1.00 93.75 C +HETATM 157 OD1 HYP A 24 -11.014 18.526 5.903 1.00 90.31 O +HETATM 158 OXT HYP A 24 -11.651 14.324 2.781 1.00 89.68 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_193.txt b/protein_pdb_193.txt new file mode 100644 index 0000000000000000000000000000000000000000..24e9f86100f125aa11dc2ff693d7fa35aeebc252 --- /dev/null +++ b/protein_pdb_193.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -9.875 14.097 1.845 1.00 93.80 N +ATOM 2 CA GLY A 1 -9.865 13.019 0.917 1.00 94.32 C +ATOM 3 C GLY A 1 -10.014 11.650 1.550 1.00 94.81 C +ATOM 4 O GLY A 1 -9.852 11.503 2.762 1.00 93.62 O +ATOM 5 N PRO A 2 -10.266 10.669 0.752 1.00 94.20 N +ATOM 6 CA PRO A 2 -10.440 9.311 1.244 1.00 94.28 C +ATOM 7 C PRO A 2 -9.108 8.653 1.561 1.00 94.04 C +ATOM 8 O PRO A 2 -8.055 9.118 1.139 1.00 93.15 O +ATOM 9 CB PRO A 2 -11.131 8.623 0.075 1.00 91.73 C +ATOM 10 CG PRO A 2 -10.594 9.339 -1.112 1.00 88.69 C +ATOM 11 CD PRO A 2 -10.482 10.776 -0.682 1.00 91.55 C +HETATM 12 N HYP A 3 -9.192 7.553 2.306 1.00 93.98 N +HETATM 13 CA HYP A 3 -7.983 6.804 2.602 1.00 92.18 C +HETATM 14 C HYP A 3 -7.352 6.246 1.321 1.00 95.07 C +HETATM 15 O HYP A 3 -8.088 5.955 0.348 1.00 95.47 O +HETATM 16 CB HYP A 3 -8.551 5.604 3.450 1.00 92.70 C +HETATM 17 CG HYP A 3 -9.780 6.191 4.101 1.00 90.93 C +HETATM 18 CD HYP A 3 -10.357 7.103 2.987 1.00 92.82 C +HETATM 19 OD1 HYP A 3 -9.392 6.964 5.184 1.00 91.44 O +ATOM 20 N GLY A 4 -6.059 6.181 1.317 1.00 93.72 N +ATOM 21 CA GLY A 4 -5.360 5.639 0.182 1.00 92.78 C +ATOM 22 C GLY A 4 -5.583 4.143 0.063 1.00 92.90 C +ATOM 23 O GLY A 4 -6.107 3.500 0.973 1.00 92.95 O +ATOM 24 N PRO A 5 -5.176 3.564 -1.066 1.00 94.21 N +ATOM 25 CA PRO A 5 -5.346 2.136 -1.273 1.00 93.98 C +ATOM 26 C PRO A 5 -4.373 1.321 -0.438 1.00 93.63 C +ATOM 27 O PRO A 5 -3.372 1.842 0.043 1.00 93.02 O +ATOM 28 CB PRO A 5 -5.075 1.971 -2.769 1.00 92.13 C +ATOM 29 CG PRO A 5 -4.100 3.057 -3.060 1.00 90.65 C +ATOM 30 CD PRO A 5 -4.535 4.211 -2.206 1.00 93.33 C +HETATM 31 N HYP A 6 -4.699 0.024 -0.269 1.00 93.75 N +HETATM 32 CA HYP A 6 -3.789 -0.877 0.399 1.00 94.19 C +HETATM 33 C HYP A 6 -2.439 -0.928 -0.291 1.00 95.09 C +HETATM 34 O HYP A 6 -2.371 -0.738 -1.541 1.00 94.73 O +HETATM 35 CB HYP A 6 -4.520 -2.234 0.300 1.00 91.82 C +HETATM 36 CG HYP A 6 -5.995 -1.882 0.210 1.00 91.30 C +HETATM 37 CD HYP A 6 -5.963 -0.611 -0.641 1.00 92.88 C +HETATM 38 OD1 HYP A 6 -6.488 -1.575 1.485 1.00 90.67 O +ATOM 39 N GLY A 7 -1.396 -1.118 0.441 1.00 94.11 N +ATOM 40 CA GLY A 7 -0.084 -1.247 -0.120 1.00 93.69 C +ATOM 41 C GLY A 7 0.033 -2.512 -0.950 1.00 94.02 C +ATOM 42 O GLY A 7 -0.822 -3.394 -0.889 1.00 93.89 O +ATOM 43 N PRO A 8 1.094 -2.610 -1.729 1.00 94.02 N +ATOM 44 CA PRO A 8 1.277 -3.778 -2.578 1.00 93.86 C +ATOM 45 C PRO A 8 1.679 -5.010 -1.787 1.00 94.04 C +ATOM 46 O PRO A 8 2.262 -4.912 -0.710 1.00 92.20 O +ATOM 47 CB PRO A 8 2.388 -3.352 -3.535 1.00 91.78 C +ATOM 48 CG PRO A 8 3.173 -2.373 -2.741 1.00 90.39 C +ATOM 49 CD PRO A 8 2.159 -1.633 -1.905 1.00 92.86 C +HETATM 50 N HYP A 9 1.363 -6.184 -2.386 1.00 93.67 N +HETATM 51 CA HYP A 9 1.752 -7.434 -1.788 1.00 92.98 C +HETATM 52 C HYP A 9 3.268 -7.559 -1.770 1.00 94.07 C +HETATM 53 O HYP A 9 3.943 -7.025 -2.652 1.00 93.94 O +HETATM 54 CB HYP A 9 1.226 -8.532 -2.730 1.00 91.30 C +HETATM 55 CG HYP A 9 0.135 -7.885 -3.494 1.00 90.53 C +HETATM 56 CD HYP A 9 0.561 -6.447 -3.603 1.00 92.88 C +HETATM 57 OD1 HYP A 9 -1.053 -7.963 -2.735 1.00 89.62 O +ATOM 58 N GLY A 10 3.885 -8.215 -0.924 1.00 93.11 N +ATOM 59 CA GLY A 10 5.314 -8.398 -0.916 1.00 91.18 C +ATOM 60 C GLY A 10 5.697 -9.780 -0.438 1.00 91.29 C +ATOM 61 O GLY A 10 4.861 -10.592 -0.044 1.00 89.85 O +ATOM 62 N ARG A 11 6.982 -10.038 -0.456 1.00 90.91 N +ATOM 63 CA ARG A 11 7.504 -11.326 -0.007 1.00 91.64 C +ATOM 64 C ARG A 11 7.240 -11.556 1.471 1.00 90.77 C +ATOM 65 O ARG A 11 7.193 -12.700 1.915 1.00 87.44 O +ATOM 66 CB ARG A 11 9.009 -11.387 -0.246 1.00 88.88 C +ATOM 67 CG ARG A 11 9.417 -11.389 -1.701 1.00 83.87 C +ATOM 68 CD ARG A 11 10.931 -11.347 -1.820 1.00 80.29 C +ATOM 69 NE ARG A 11 11.393 -11.377 -3.204 1.00 75.87 N +ATOM 70 CZ ARG A 11 11.633 -12.490 -3.888 1.00 71.75 C +ATOM 71 NH1 ARG A 11 11.471 -13.670 -3.318 1.00 69.46 N +ATOM 72 NH2 ARG A 11 12.043 -12.414 -5.135 1.00 66.71 N +ATOM 73 N GLU A 12 7.116 -10.486 2.224 1.00 91.00 N +ATOM 74 CA GLU A 12 7.015 -10.576 3.674 1.00 91.05 C +ATOM 75 C GLU A 12 5.605 -10.366 4.225 1.00 91.57 C +ATOM 76 O GLU A 12 5.436 -10.296 5.444 1.00 86.81 O +ATOM 77 CB GLU A 12 7.985 -9.590 4.309 1.00 87.37 C +ATOM 78 CG GLU A 12 9.433 -9.886 3.948 1.00 81.17 C +ATOM 79 CD GLU A 12 10.417 -8.947 4.610 1.00 76.02 C +ATOM 80 OE1 GLU A 12 9.984 -7.963 5.229 1.00 70.30 O +ATOM 81 OE2 GLU A 12 11.626 -9.200 4.497 1.00 71.71 O +ATOM 82 N GLY A 13 4.613 -10.268 3.379 1.00 93.59 N +ATOM 83 CA GLY A 13 3.277 -10.101 3.905 1.00 92.59 C +ATOM 84 C GLY A 13 2.238 -9.686 2.900 1.00 93.43 C +ATOM 85 O GLY A 13 2.525 -9.512 1.715 1.00 92.92 O +ATOM 86 N PRO A 14 1.016 -9.547 3.380 1.00 94.82 N +ATOM 87 CA PRO A 14 -0.109 -9.165 2.545 1.00 94.87 C +ATOM 88 C PRO A 14 -0.070 -7.682 2.203 1.00 95.21 C +ATOM 89 O PRO A 14 0.866 -6.975 2.576 1.00 94.33 O +ATOM 90 CB PRO A 14 -1.317 -9.507 3.416 1.00 93.51 C +ATOM 91 CG PRO A 14 -0.828 -9.261 4.798 1.00 92.03 C +ATOM 92 CD PRO A 14 0.607 -9.714 4.783 1.00 93.61 C +HETATM 93 N HYP A 15 -1.130 -7.253 1.505 1.00 93.79 N +HETATM 94 CA HYP A 15 -1.208 -5.847 1.184 1.00 94.07 C +HETATM 95 C HYP A 15 -1.051 -4.994 2.416 1.00 95.18 C +HETATM 96 O HYP A 15 -1.511 -5.403 3.526 1.00 94.81 O +HETATM 97 CB HYP A 15 -2.614 -5.690 0.579 1.00 92.19 C +HETATM 98 CG HYP A 15 -2.917 -7.041 0.004 1.00 90.95 C +HETATM 99 CD HYP A 15 -2.269 -7.999 1.003 1.00 92.86 C +HETATM 100 OD1 HYP A 15 -2.324 -7.153 -1.239 1.00 91.17 O +ATOM 101 N GLY A 16 -0.419 -3.874 2.270 1.00 95.10 N +ATOM 102 CA GLY A 16 -0.255 -2.962 3.363 1.00 94.75 C +ATOM 103 C GLY A 16 -1.567 -2.307 3.735 1.00 95.11 C +ATOM 104 O GLY A 16 -2.575 -2.471 3.048 1.00 94.96 O +ATOM 105 N PRO A 17 -1.558 -1.554 4.823 1.00 93.94 N +ATOM 106 CA PRO A 17 -2.764 -0.872 5.262 1.00 93.39 C +ATOM 107 C PRO A 17 -3.125 0.273 4.324 1.00 93.73 C +ATOM 108 O PRO A 17 -2.298 0.735 3.545 1.00 92.73 O +ATOM 109 CB PRO A 17 -2.400 -0.363 6.652 1.00 91.86 C +ATOM 110 CG PRO A 17 -0.930 -0.172 6.582 1.00 90.56 C +ATOM 111 CD PRO A 17 -0.430 -1.284 5.707 1.00 92.66 C +HETATM 112 N HYP A 18 -4.384 0.709 4.409 1.00 92.67 N +HETATM 113 CA HYP A 18 -4.781 1.854 3.655 1.00 91.48 C +HETATM 114 C HYP A 18 -3.961 3.071 3.949 1.00 93.86 C +HETATM 115 O HYP A 18 -3.505 3.247 5.110 1.00 92.83 O +HETATM 116 CB HYP A 18 -6.261 2.026 4.074 1.00 90.87 C +HETATM 117 CG HYP A 18 -6.709 0.631 4.451 1.00 89.73 C +HETATM 118 CD HYP A 18 -5.474 0.078 5.133 1.00 92.44 C +HETATM 119 OD1 HYP A 18 -7.003 -0.117 3.297 1.00 89.63 O +ATOM 120 N GLY A 19 -3.722 3.856 2.959 1.00 91.22 N +ATOM 121 CA GLY A 19 -2.985 5.070 3.137 1.00 90.65 C +ATOM 122 C GLY A 19 -3.760 6.061 3.979 1.00 90.51 C +ATOM 123 O GLY A 19 -4.932 5.853 4.287 1.00 91.31 O +ATOM 124 N PRO A 20 -3.111 7.150 4.354 1.00 91.30 N +ATOM 125 CA PRO A 20 -3.769 8.152 5.180 1.00 90.96 C +ATOM 126 C PRO A 20 -4.822 8.921 4.405 1.00 90.62 C +ATOM 127 O PRO A 20 -4.782 8.991 3.179 1.00 90.78 O +ATOM 128 CB PRO A 20 -2.617 9.060 5.605 1.00 88.53 C +ATOM 129 CG PRO A 20 -1.654 8.947 4.480 1.00 85.89 C +ATOM 130 CD PRO A 20 -1.737 7.512 4.040 1.00 88.75 C +HETATM 131 N HYP A 21 -5.755 9.484 5.141 1.00 92.76 N +HETATM 132 CA HYP A 21 -6.735 10.331 4.529 1.00 91.59 C +HETATM 133 C HYP A 21 -6.148 11.536 3.850 1.00 92.27 C +HETATM 134 O HYP A 21 -5.127 12.059 4.347 1.00 94.02 O +HETATM 135 CB HYP A 21 -7.617 10.788 5.727 1.00 90.84 C +HETATM 136 CG HYP A 21 -7.429 9.728 6.777 1.00 88.94 C +HETATM 137 CD HYP A 21 -5.981 9.317 6.586 1.00 92.23 C +HETATM 138 OD1 HYP A 21 -8.269 8.623 6.469 1.00 89.73 O +ATOM 139 N GLY A 22 -6.649 11.908 2.749 1.00 92.44 N +ATOM 140 CA GLY A 22 -6.210 13.114 2.107 1.00 90.87 C +ATOM 141 C GLY A 22 -6.740 14.318 2.873 1.00 90.52 C +ATOM 142 O GLY A 22 -7.550 14.174 3.788 1.00 90.49 O +ATOM 143 N PRO A 23 -6.313 15.522 2.519 1.00 94.60 N +ATOM 144 CA PRO A 23 -6.818 16.718 3.182 1.00 94.39 C +ATOM 145 C PRO A 23 -8.250 16.979 2.733 1.00 93.02 C +ATOM 146 O PRO A 23 -8.487 17.293 1.570 1.00 89.29 O +ATOM 147 CB PRO A 23 -5.855 17.810 2.717 1.00 92.00 C +ATOM 148 CG PRO A 23 -5.363 17.325 1.406 1.00 89.13 C +ATOM 149 CD PRO A 23 -5.310 15.825 1.511 1.00 92.81 C +HETATM 150 N HYP A 24 -9.216 16.720 3.546 1.00 96.19 N +HETATM 151 CA HYP A 24 -10.613 16.473 3.036 1.00 91.42 C +HETATM 152 C HYP A 24 -10.906 15.330 2.264 1.00 95.18 C +HETATM 153 O HYP A 24 -11.548 15.496 1.135 1.00 93.81 O +HETATM 154 CB HYP A 24 -11.532 16.921 4.124 1.00 91.27 C +HETATM 155 CG HYP A 24 -10.666 17.297 5.346 1.00 90.88 C +HETATM 156 CD HYP A 24 -9.218 17.340 4.799 1.00 93.75 C +HETATM 157 OD1 HYP A 24 -11.014 18.526 5.903 1.00 90.31 O +HETATM 158 OXT HYP A 24 -11.651 14.324 2.781 1.00 89.68 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_194.txt b/protein_pdb_194.txt new file mode 100644 index 0000000000000000000000000000000000000000..6669e7c0d430d891c4624a074f634b6bba802db3 --- /dev/null +++ b/protein_pdb_194.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -3.874 -13.915 0.714 1.00 85.21 N +ATOM 2 CA GLY A 1 -2.768 -13.466 -0.113 1.00 87.24 C +ATOM 3 C GLY A 1 -1.996 -12.373 0.571 1.00 88.53 C +ATOM 4 O GLY A 1 -2.364 -11.919 1.651 1.00 85.33 O +ATOM 5 N PRO A 2 -0.892 -11.892 -0.048 1.00 86.21 N +ATOM 6 CA PRO A 2 -0.067 -10.846 0.550 1.00 87.49 C +ATOM 7 C PRO A 2 -0.760 -9.494 0.535 1.00 87.63 C +ATOM 8 O PRO A 2 -1.712 -9.275 -0.200 1.00 84.89 O +ATOM 9 CB PRO A 2 1.189 -10.842 -0.327 1.00 84.07 C +ATOM 10 CG PRO A 2 0.715 -11.351 -1.635 1.00 80.09 C +ATOM 11 CD PRO A 2 -0.377 -12.337 -1.341 1.00 80.41 C +HETATM 12 N HYP A 3 -0.282 -8.639 1.349 1.00 88.87 N +HETATM 13 CA HYP A 3 -0.766 -7.233 1.360 1.00 86.45 C +HETATM 14 C HYP A 3 -0.624 -6.555 0.024 1.00 90.15 C +HETATM 15 O HYP A 3 0.337 -6.885 -0.732 1.00 91.11 O +HETATM 16 CB HYP A 3 0.197 -6.585 2.419 1.00 88.09 C +HETATM 17 CG HYP A 3 0.605 -7.741 3.334 1.00 83.91 C +HETATM 18 CD HYP A 3 0.746 -8.918 2.326 1.00 87.52 C +HETATM 19 OD1 HYP A 3 -0.454 -8.014 4.217 1.00 86.97 O +ATOM 20 N GLY A 4 -1.550 -5.703 -0.304 1.00 91.30 N +ATOM 21 CA GLY A 4 -1.473 -4.947 -1.523 1.00 91.05 C +ATOM 22 C GLY A 4 -0.330 -3.943 -1.483 1.00 91.54 C +ATOM 23 O GLY A 4 0.261 -3.698 -0.432 1.00 91.48 O +ATOM 24 N PRO A 5 -0.017 -3.365 -2.628 1.00 88.40 N +ATOM 25 CA PRO A 5 1.080 -2.407 -2.695 1.00 87.78 C +ATOM 26 C PRO A 5 0.721 -1.087 -2.031 1.00 87.71 C +ATOM 27 O PRO A 5 -0.451 -0.750 -1.876 1.00 86.63 O +ATOM 28 CB PRO A 5 1.301 -2.234 -4.193 1.00 85.89 C +ATOM 29 CG PRO A 5 -0.041 -2.487 -4.783 1.00 84.19 C +ATOM 30 CD PRO A 5 -0.658 -3.555 -3.926 1.00 86.23 C +HETATM 31 N HYP A 6 1.762 -0.351 -1.637 1.00 91.29 N +HETATM 32 CA HYP A 6 1.578 0.984 -1.132 1.00 90.65 C +HETATM 33 C HYP A 6 0.957 1.900 -2.171 1.00 91.46 C +HETATM 34 O HYP A 6 1.097 1.671 -3.399 1.00 90.74 O +HETATM 35 CB HYP A 6 3.056 1.416 -0.847 1.00 86.56 C +HETATM 36 CG HYP A 6 3.776 0.123 -0.573 1.00 85.00 C +HETATM 37 CD HYP A 6 3.122 -0.824 -1.567 1.00 88.89 C +HETATM 38 OD1 HYP A 6 3.507 -0.293 0.744 1.00 87.29 O +ATOM 39 N GLY A 7 0.250 2.877 -1.725 1.00 90.91 N +ATOM 40 CA GLY A 7 -0.309 3.865 -2.607 1.00 89.96 C +ATOM 41 C GLY A 7 0.781 4.707 -3.257 1.00 90.72 C +ATOM 42 O GLY A 7 1.955 4.618 -2.900 1.00 90.49 O +ATOM 43 N PRO A 8 0.386 5.526 -4.214 1.00 91.02 N +ATOM 44 CA PRO A 8 1.358 6.338 -4.928 1.00 91.06 C +ATOM 45 C PRO A 8 1.924 7.457 -4.073 1.00 91.41 C +ATOM 46 O PRO A 8 1.255 7.988 -3.189 1.00 89.66 O +ATOM 47 CB PRO A 8 0.564 6.887 -6.109 1.00 88.70 C +ATOM 48 CG PRO A 8 -0.838 6.927 -5.617 1.00 87.51 C +ATOM 49 CD PRO A 8 -0.975 5.741 -4.702 1.00 89.36 C +HETATM 50 N HYP A 9 3.173 7.804 -4.425 1.00 88.87 N +HETATM 51 CA HYP A 9 3.838 8.908 -3.753 1.00 90.39 C +HETATM 52 C HYP A 9 3.319 10.218 -4.351 1.00 89.85 C +HETATM 53 O HYP A 9 2.566 10.293 -5.282 1.00 88.62 O +HETATM 54 CB HYP A 9 5.272 8.848 -4.339 1.00 84.49 C +HETATM 55 CG HYP A 9 5.431 7.493 -4.924 1.00 84.64 C +HETATM 56 CD HYP A 9 4.081 7.097 -5.355 1.00 88.62 C +HETATM 57 OD1 HYP A 9 5.844 6.602 -3.890 1.00 85.25 O +ATOM 58 N GLY A 10 3.883 11.321 -3.962 1.00 88.53 N +ATOM 59 CA GLY A 10 3.670 12.586 -4.627 1.00 85.87 C +ATOM 60 C GLY A 10 3.351 13.691 -3.653 1.00 85.93 C +ATOM 61 O GLY A 10 3.256 13.480 -2.446 1.00 83.43 O +ATOM 62 N ILE A 11 3.175 14.898 -4.201 1.00 92.24 N +ATOM 63 CA ILE A 11 2.901 16.043 -3.352 1.00 92.96 C +ATOM 64 C ILE A 11 1.530 15.955 -2.690 1.00 92.53 C +ATOM 65 O ILE A 11 1.253 16.705 -1.757 1.00 90.20 O +ATOM 66 CB ILE A 11 3.050 17.367 -4.125 1.00 92.43 C +ATOM 67 CG1 ILE A 11 2.067 17.436 -5.285 1.00 89.57 C +ATOM 68 CG2 ILE A 11 4.483 17.546 -4.596 1.00 87.14 C +ATOM 69 CD1 ILE A 11 1.974 18.825 -5.885 1.00 82.84 C +ATOM 70 N MET A 12 0.686 15.054 -3.167 1.00 91.50 N +ATOM 71 CA MET A 12 -0.598 14.826 -2.524 1.00 91.91 C +ATOM 72 C MET A 12 -0.481 13.937 -1.298 1.00 92.18 C +ATOM 73 O MET A 12 -1.469 13.747 -0.583 1.00 86.87 O +ATOM 74 CB MET A 12 -1.595 14.227 -3.521 1.00 88.07 C +ATOM 75 CG MET A 12 -1.938 15.172 -4.655 1.00 81.21 C +ATOM 76 SD MET A 12 -2.575 16.757 -4.102 1.00 76.84 S +ATOM 77 CE MET A 12 -4.130 16.263 -3.402 1.00 68.93 C +ATOM 78 N GLY A 13 0.703 13.405 -1.039 1.00 91.76 N +ATOM 79 CA GLY A 13 0.920 12.624 0.158 1.00 90.99 C +ATOM 80 C GLY A 13 2.002 11.586 -0.014 1.00 92.24 C +ATOM 81 O GLY A 13 2.444 11.316 -1.128 1.00 92.24 O +ATOM 82 N PRO A 14 2.438 11.020 1.094 1.00 92.73 N +ATOM 83 CA PRO A 14 3.421 9.940 1.039 1.00 92.87 C +ATOM 84 C PRO A 14 2.764 8.673 0.518 1.00 93.11 C +ATOM 85 O PRO A 14 1.558 8.627 0.298 1.00 91.65 O +ATOM 86 CB PRO A 14 3.855 9.793 2.499 1.00 91.32 C +ATOM 87 CG PRO A 14 2.648 10.196 3.268 1.00 89.88 C +ATOM 88 CD PRO A 14 2.001 11.295 2.464 1.00 90.82 C +HETATM 89 N HYP A 15 3.607 7.655 0.360 1.00 90.97 N +HETATM 90 CA HYP A 15 3.035 6.413 -0.094 1.00 90.86 C +HETATM 91 C HYP A 15 1.917 5.981 0.823 1.00 91.98 C +HETATM 92 O HYP A 15 2.032 6.149 2.073 1.00 90.80 O +HETATM 93 CB HYP A 15 4.186 5.409 -0.037 1.00 87.82 C +HETATM 94 CG HYP A 15 5.439 6.273 -0.105 1.00 85.50 C +HETATM 95 CD HYP A 15 5.041 7.522 0.655 1.00 89.89 C +HETATM 96 OD1 HYP A 15 5.717 6.627 -1.431 1.00 87.79 O +ATOM 97 N GLY A 16 0.862 5.500 0.252 1.00 92.83 N +ATOM 98 CA GLY A 16 -0.219 4.984 1.047 1.00 92.15 C +ATOM 99 C GLY A 16 0.188 3.709 1.762 1.00 92.74 C +ATOM 100 O GLY A 16 1.240 3.131 1.478 1.00 92.50 O +ATOM 101 N PRO A 17 -0.633 3.292 2.699 1.00 90.41 N +ATOM 102 CA PRO A 17 -0.328 2.062 3.421 1.00 89.85 C +ATOM 103 C PRO A 17 -0.515 0.844 2.531 1.00 90.33 C +ATOM 104 O PRO A 17 -1.187 0.902 1.505 1.00 88.72 O +ATOM 105 CB PRO A 17 -1.324 2.073 4.571 1.00 87.82 C +ATOM 106 CG PRO A 17 -2.473 2.861 4.051 1.00 86.90 C +ATOM 107 CD PRO A 17 -1.881 3.905 3.149 1.00 88.29 C +HETATM 108 N HYP A 18 0.105 -0.245 2.940 1.00 88.19 N +HETATM 109 CA HYP A 18 -0.122 -1.469 2.242 1.00 88.46 C +HETATM 110 C HYP A 18 -1.582 -1.852 2.246 1.00 89.37 C +HETATM 111 O HYP A 18 -2.318 -1.561 3.230 1.00 86.97 O +HETATM 112 CB HYP A 18 0.701 -2.485 3.099 1.00 84.41 C +HETATM 113 CG HYP A 18 1.790 -1.633 3.760 1.00 83.17 C +HETATM 114 CD HYP A 18 1.046 -0.358 4.057 1.00 88.16 C +HETATM 115 OD1 HYP A 18 2.828 -1.384 2.822 1.00 86.35 O +ATOM 116 N GLY A 19 -2.033 -2.423 1.174 1.00 88.54 N +ATOM 117 CA GLY A 19 -3.390 -2.894 1.099 1.00 88.27 C +ATOM 118 C GLY A 19 -3.631 -4.047 2.050 1.00 88.94 C +ATOM 119 O GLY A 19 -2.698 -4.586 2.651 1.00 89.44 O +ATOM 120 N PRO A 20 -4.881 -4.413 2.192 1.00 80.40 N +ATOM 121 CA PRO A 20 -5.209 -5.516 3.082 1.00 80.57 C +ATOM 122 C PRO A 20 -4.745 -6.848 2.500 1.00 80.34 C +ATOM 123 O PRO A 20 -4.473 -6.958 1.315 1.00 81.62 O +ATOM 124 CB PRO A 20 -6.727 -5.448 3.172 1.00 78.56 C +ATOM 125 CG PRO A 20 -7.138 -4.828 1.891 1.00 75.62 C +ATOM 126 CD PRO A 20 -6.052 -3.851 1.536 1.00 75.95 C +HETATM 127 N HYP A 21 -4.647 -7.812 3.372 1.00 87.86 N +HETATM 128 CA HYP A 21 -4.347 -9.149 2.906 1.00 85.29 C +HETATM 129 C HYP A 21 -5.312 -9.633 1.850 1.00 87.75 C +HETATM 130 O HYP A 21 -6.489 -9.251 1.890 1.00 90.35 O +HETATM 131 CB HYP A 21 -4.365 -9.986 4.196 1.00 83.45 C +HETATM 132 CG HYP A 21 -4.039 -8.991 5.319 1.00 78.64 C +HETATM 133 CD HYP A 21 -4.731 -7.731 4.848 1.00 86.27 C +HETATM 134 OD1 HYP A 21 -2.632 -8.740 5.342 1.00 83.31 O +ATOM 135 N GLY A 22 -4.801 -10.322 0.865 1.00 88.54 N +ATOM 136 CA GLY A 22 -5.624 -10.837 -0.192 1.00 86.65 C +ATOM 137 C GLY A 22 -6.621 -11.861 0.311 1.00 86.44 C +ATOM 138 O GLY A 22 -6.661 -12.183 1.501 1.00 86.28 O +ATOM 139 N PRO A 23 -7.439 -12.390 -0.601 1.00 87.10 N +ATOM 140 CA PRO A 23 -8.462 -13.350 -0.206 1.00 86.45 C +ATOM 141 C PRO A 23 -7.861 -14.650 0.293 1.00 84.90 C +ATOM 142 O PRO A 23 -6.714 -14.979 0.005 1.00 81.38 O +ATOM 143 CB PRO A 23 -9.271 -13.555 -1.474 1.00 82.63 C +ATOM 144 CG PRO A 23 -8.353 -13.180 -2.569 1.00 80.33 C +ATOM 145 CD PRO A 23 -7.445 -12.127 -2.026 1.00 82.14 C +HETATM 146 N HYP A 24 -8.542 -15.396 0.991 1.00 89.87 N +HETATM 147 CA HYP A 24 -8.086 -16.600 1.590 1.00 85.03 C +HETATM 148 C HYP A 24 -7.396 -17.569 0.657 1.00 85.55 C +HETATM 149 O HYP A 24 -7.574 -17.434 -0.546 1.00 80.41 O +HETATM 150 CB HYP A 24 -9.400 -17.279 2.098 1.00 81.16 C +HETATM 151 CG HYP A 24 -10.562 -16.396 1.722 1.00 83.23 C +HETATM 152 CD HYP A 24 -9.992 -15.296 0.876 1.00 87.29 C +HETATM 153 OD1 HYP A 24 -11.083 -15.745 2.886 1.00 82.05 O +HETATM 154 OXT HYP A 24 -6.720 -18.545 1.148 1.00 80.21 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_195.txt b/protein_pdb_195.txt new file mode 100644 index 0000000000000000000000000000000000000000..6aa96e062dea34b742b30a37d9af0e12bf366d2c --- /dev/null +++ b/protein_pdb_195.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 14.764 -1.661 -0.259 1.00 81.04 N +ATOM 2 CA GLY A 1 14.062 -0.707 -1.103 1.00 83.54 C +ATOM 3 C GLY A 1 13.024 0.057 -0.321 1.00 85.42 C +ATOM 4 O GLY A 1 12.793 -0.234 0.846 1.00 83.15 O +ATOM 5 N PRO A 2 12.387 1.019 -0.954 1.00 85.23 N +ATOM 6 CA PRO A 2 11.393 1.829 -0.261 1.00 86.79 C +ATOM 7 C PRO A 2 10.109 1.064 -0.006 1.00 87.21 C +ATOM 8 O PRO A 2 9.852 0.029 -0.607 1.00 85.33 O +ATOM 9 CB PRO A 2 11.156 2.990 -1.226 1.00 83.25 C +ATOM 10 CG PRO A 2 11.431 2.411 -2.559 1.00 79.01 C +ATOM 11 CD PRO A 2 12.545 1.421 -2.357 1.00 79.56 C +HETATM 12 N HYP A 3 9.352 1.591 0.907 1.00 83.95 N +HETATM 13 CA HYP A 3 8.015 1.035 1.149 1.00 85.75 C +HETATM 14 C HYP A 3 7.178 1.019 -0.102 1.00 89.79 C +HETATM 15 O HYP A 3 7.300 1.940 -0.960 1.00 89.67 O +HETATM 16 CB HYP A 3 7.403 2.039 2.183 1.00 88.42 C +HETATM 17 CG HYP A 3 8.618 2.602 2.892 1.00 84.07 C +HETATM 18 CD HYP A 3 9.653 2.738 1.737 1.00 86.21 C +HETATM 19 OD1 HYP A 3 9.081 1.645 3.798 1.00 86.23 O +ATOM 20 N GLY A 4 6.415 -0.028 -0.263 1.00 89.80 N +ATOM 21 CA GLY A 4 5.510 -0.107 -1.377 1.00 89.18 C +ATOM 22 C GLY A 4 4.393 0.915 -1.254 1.00 89.51 C +ATOM 23 O GLY A 4 4.201 1.535 -0.209 1.00 90.21 O +ATOM 24 N PRO A 5 3.656 1.093 -2.342 1.00 90.90 N +ATOM 25 CA PRO A 5 2.556 2.044 -2.324 1.00 90.46 C +ATOM 26 C PRO A 5 1.397 1.536 -1.483 1.00 90.34 C +ATOM 27 O PRO A 5 1.303 0.355 -1.180 1.00 89.07 O +ATOM 28 CB PRO A 5 2.174 2.150 -3.800 1.00 88.11 C +ATOM 29 CG PRO A 5 2.533 0.818 -4.350 1.00 86.45 C +ATOM 30 CD PRO A 5 3.766 0.393 -3.617 1.00 88.53 C +HETATM 31 N HYP A 6 0.522 2.489 -1.113 1.00 88.26 N +HETATM 32 CA HYP A 6 -0.698 2.074 -0.422 1.00 91.06 C +HETATM 33 C HYP A 6 -1.488 1.116 -1.250 1.00 91.49 C +HETATM 34 O HYP A 6 -1.492 1.206 -2.512 1.00 91.04 O +HETATM 35 CB HYP A 6 -1.442 3.444 -0.271 1.00 86.69 C +HETATM 36 CG HYP A 6 -0.354 4.480 -0.270 1.00 86.99 C +HETATM 37 CD HYP A 6 0.627 3.934 -1.303 1.00 88.99 C +HETATM 38 OD1 HYP A 6 0.267 4.492 0.999 1.00 86.67 O +ATOM 39 N GLY A 7 -2.097 0.158 -0.601 1.00 89.80 N +ATOM 40 CA GLY A 7 -2.946 -0.783 -1.284 1.00 88.66 C +ATOM 41 C GLY A 7 -4.129 -0.095 -1.922 1.00 88.52 C +ATOM 42 O GLY A 7 -4.431 1.068 -1.641 1.00 88.35 O +ATOM 43 N PRO A 8 -4.807 -0.818 -2.798 1.00 91.10 N +ATOM 44 CA PRO A 8 -5.956 -0.236 -3.473 1.00 90.66 C +ATOM 45 C PRO A 8 -7.124 -0.061 -2.519 1.00 90.83 C +ATOM 46 O PRO A 8 -7.218 -0.724 -1.488 1.00 89.24 O +ATOM 47 CB PRO A 8 -6.273 -1.254 -4.558 1.00 87.70 C +ATOM 48 CG PRO A 8 -5.791 -2.541 -3.992 1.00 85.87 C +ATOM 49 CD PRO A 8 -4.572 -2.204 -3.185 1.00 87.74 C +HETATM 50 N HYP A 9 -8.038 0.834 -2.901 1.00 82.95 N +HETATM 51 CA HYP A 9 -9.193 1.036 -2.128 1.00 88.19 C +HETATM 52 C HYP A 9 -10.084 -0.201 -2.140 1.00 87.05 C +HETATM 53 O HYP A 9 -10.210 -0.836 -3.226 1.00 87.47 O +HETATM 54 CB HYP A 9 -9.952 2.185 -2.898 1.00 83.45 C +HETATM 55 CG HYP A 9 -8.899 2.877 -3.694 1.00 79.31 C +HETATM 56 CD HYP A 9 -7.942 1.798 -4.045 1.00 85.06 C +HETATM 57 OD1 HYP A 9 -8.239 3.794 -2.842 1.00 82.19 O +ATOM 58 N GLY A 10 -10.572 -0.639 -1.052 1.00 88.00 N +ATOM 59 CA GLY A 10 -11.592 -1.661 -1.046 1.00 85.29 C +ATOM 60 C GLY A 10 -12.891 -1.093 -1.569 1.00 85.25 C +ATOM 61 O GLY A 10 -13.026 0.113 -1.776 1.00 83.77 O +ATOM 62 N THR A 11 -13.856 -1.961 -1.768 1.00 90.31 N +ATOM 63 CA THR A 11 -15.144 -1.467 -2.252 1.00 90.90 C +ATOM 64 C THR A 11 -15.787 -0.518 -1.245 1.00 90.96 C +ATOM 65 O THR A 11 -16.587 0.334 -1.631 1.00 88.22 O +ATOM 66 CB THR A 11 -16.081 -2.624 -2.578 1.00 88.90 C +ATOM 67 OG1 THR A 11 -16.214 -3.462 -1.439 1.00 83.50 O +ATOM 68 CG2 THR A 11 -15.549 -3.436 -3.741 1.00 79.90 C +ATOM 69 N ARG A 12 -15.420 -0.663 0.004 1.00 89.10 N +ATOM 70 CA ARG A 12 -15.824 0.278 1.044 1.00 89.51 C +ATOM 71 C ARG A 12 -14.677 0.691 1.948 1.00 89.92 C +ATOM 72 O ARG A 12 -14.825 1.649 2.708 1.00 85.79 O +ATOM 73 CB ARG A 12 -16.941 -0.323 1.895 1.00 85.92 C +ATOM 74 CG ARG A 12 -18.162 -0.695 1.101 1.00 78.67 C +ATOM 75 CD ARG A 12 -19.308 -1.077 1.997 1.00 74.37 C +ATOM 76 NE ARG A 12 -20.455 -1.517 1.227 1.00 71.34 N +ATOM 77 CZ ARG A 12 -21.041 -2.692 1.352 1.00 66.93 C +ATOM 78 NH1 ARG A 12 -20.590 -3.585 2.225 1.00 65.00 N +ATOM 79 NH2 ARG A 12 -22.085 -2.984 0.607 1.00 60.56 N +ATOM 80 N GLY A 13 -13.565 -0.013 1.885 1.00 91.80 N +ATOM 81 CA GLY A 13 -12.463 0.225 2.784 1.00 90.54 C +ATOM 82 C GLY A 13 -11.494 1.272 2.290 1.00 91.14 C +ATOM 83 O GLY A 13 -11.466 1.611 1.110 1.00 90.52 O +ATOM 84 N PRO A 14 -10.688 1.784 3.198 1.00 91.82 N +ATOM 85 CA PRO A 14 -9.652 2.745 2.836 1.00 91.35 C +ATOM 86 C PRO A 14 -8.488 2.059 2.139 1.00 91.82 C +ATOM 87 O PRO A 14 -8.395 0.835 2.118 1.00 90.85 O +ATOM 88 CB PRO A 14 -9.225 3.315 4.181 1.00 89.53 C +ATOM 89 CG PRO A 14 -9.422 2.177 5.119 1.00 88.66 C +ATOM 90 CD PRO A 14 -10.648 1.452 4.625 1.00 89.11 C +HETATM 91 N HYP A 15 -7.607 2.910 1.610 1.00 89.55 N +HETATM 92 CA HYP A 15 -6.392 2.357 1.026 1.00 88.65 C +HETATM 93 C HYP A 15 -5.640 1.542 2.036 1.00 91.87 C +HETATM 94 O HYP A 15 -5.661 1.874 3.251 1.00 89.81 O +HETATM 95 CB HYP A 15 -5.629 3.640 0.646 1.00 87.83 C +HETATM 96 CG HYP A 15 -6.709 4.692 0.443 1.00 85.65 C +HETATM 97 CD HYP A 15 -7.712 4.358 1.525 1.00 88.63 C +HETATM 98 OD1 HYP A 15 -7.299 4.542 -0.814 1.00 87.82 O +ATOM 99 N GLY A 16 -5.028 0.480 1.577 1.00 92.42 N +ATOM 100 CA GLY A 16 -4.207 -0.313 2.445 1.00 91.75 C +ATOM 101 C GLY A 16 -2.965 0.435 2.877 1.00 92.44 C +ATOM 102 O GLY A 16 -2.644 1.497 2.337 1.00 92.21 O +ATOM 103 N PRO A 17 -2.269 -0.117 3.853 1.00 92.33 N +ATOM 104 CA PRO A 17 -1.042 0.515 4.318 1.00 91.78 C +ATOM 105 C PRO A 17 0.060 0.389 3.281 1.00 92.63 C +ATOM 106 O PRO A 17 -0.017 -0.424 2.366 1.00 91.69 O +ATOM 107 CB PRO A 17 -0.703 -0.260 5.583 1.00 90.08 C +ATOM 108 CG PRO A 17 -1.299 -1.603 5.345 1.00 89.14 C +ATOM 109 CD PRO A 17 -2.547 -1.363 4.552 1.00 90.31 C +HETATM 110 N HYP A 18 1.089 1.231 3.439 1.00 88.38 N +HETATM 111 CA HYP A 18 2.238 1.075 2.614 1.00 88.99 C +HETATM 112 C HYP A 18 2.775 -0.312 2.655 1.00 90.29 C +HETATM 113 O HYP A 18 2.732 -0.960 3.734 1.00 90.53 O +HETATM 114 CB HYP A 18 3.222 2.106 3.183 1.00 87.03 C +HETATM 115 CG HYP A 18 2.341 3.149 3.832 1.00 86.01 C +HETATM 116 CD HYP A 18 1.210 2.320 4.391 1.00 89.21 C +HETATM 117 OD1 HYP A 18 1.847 4.022 2.831 1.00 86.77 O +ATOM 118 N GLY A 19 3.239 -0.812 1.547 1.00 89.53 N +ATOM 119 CA GLY A 19 3.841 -2.114 1.499 1.00 89.19 C +ATOM 120 C GLY A 19 5.138 -2.154 2.287 1.00 89.20 C +ATOM 121 O GLY A 19 5.673 -1.124 2.691 1.00 89.65 O +ATOM 122 N PRO A 20 5.643 -3.357 2.507 1.00 85.12 N +ATOM 123 CA PRO A 20 6.891 -3.495 3.237 1.00 84.59 C +ATOM 124 C PRO A 20 8.072 -3.003 2.417 1.00 84.20 C +ATOM 125 O PRO A 20 7.976 -2.850 1.203 1.00 85.52 O +ATOM 126 CB PRO A 20 6.978 -4.996 3.496 1.00 81.71 C +ATOM 127 CG PRO A 20 6.233 -5.595 2.364 1.00 78.12 C +ATOM 128 CD PRO A 20 5.115 -4.647 2.060 1.00 78.46 C +HETATM 129 N HYP A 21 9.170 -2.746 3.110 1.00 82.75 N +HETATM 130 CA HYP A 21 10.376 -2.403 2.415 1.00 85.39 C +HETATM 131 C HYP A 21 10.788 -3.419 1.370 1.00 86.08 C +HETATM 132 O HYP A 21 10.561 -4.622 1.596 1.00 90.44 O +HETATM 133 CB HYP A 21 11.417 -2.276 3.518 1.00 85.51 C +HETATM 134 CG HYP A 21 10.613 -1.919 4.750 1.00 82.47 C +HETATM 135 CD HYP A 21 9.358 -2.720 4.569 1.00 86.91 C +HETATM 136 OD1 HYP A 21 10.261 -0.540 4.703 1.00 84.36 O +ATOM 137 N GLY A 22 11.238 -2.988 0.248 1.00 87.24 N +ATOM 138 CA GLY A 22 11.690 -3.871 -0.781 1.00 84.96 C +ATOM 139 C GLY A 22 12.961 -4.607 -0.371 1.00 84.60 C +ATOM 140 O GLY A 22 13.482 -4.410 0.727 1.00 84.72 O +ATOM 141 N PRO A 23 13.490 -5.444 -1.262 1.00 86.14 N +ATOM 142 CA PRO A 23 14.720 -6.165 -0.958 1.00 86.47 C +ATOM 143 C PRO A 23 15.867 -5.206 -0.713 1.00 85.00 C +ATOM 144 O PRO A 23 15.845 -4.069 -1.173 1.00 82.36 O +ATOM 145 CB PRO A 23 14.979 -6.990 -2.213 1.00 82.24 C +ATOM 146 CG PRO A 23 13.753 -6.925 -3.003 1.00 77.84 C +ATOM 147 CD PRO A 23 13.013 -5.710 -2.606 1.00 79.63 C +HETATM 148 N HYP A 24 16.831 -5.588 -0.050 1.00 86.45 N +HETATM 149 CA HYP A 24 17.979 -4.706 0.144 1.00 78.34 C +HETATM 150 C HYP A 24 18.192 -3.841 -1.019 1.00 84.77 C +HETATM 151 O HYP A 24 18.985 -4.190 -1.894 1.00 78.23 O +HETATM 152 CB HYP A 24 19.056 -5.586 0.614 1.00 81.63 C +HETATM 153 CG HYP A 24 18.369 -6.802 1.192 1.00 81.74 C +HETATM 154 CD HYP A 24 17.098 -6.937 0.379 1.00 85.48 C +HETATM 155 OD1 HYP A 24 17.976 -6.557 2.537 1.00 82.67 O +HETATM 156 OXT HYP A 24 17.496 -2.807 -1.041 1.00 81.33 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_196.txt b/protein_pdb_196.txt new file mode 100644 index 0000000000000000000000000000000000000000..12e93624710e8ed108311fe17607a29e39812551 --- /dev/null +++ b/protein_pdb_196.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 2.903 -16.166 -4.151 1.00 91.31 N +ATOM 2 CA GLY A 1 2.878 -15.138 -5.136 1.00 91.34 C +ATOM 3 C GLY A 1 3.695 -13.919 -4.770 1.00 91.73 C +ATOM 4 O GLY A 1 4.178 -13.800 -3.643 1.00 90.21 O +ATOM 5 N PRO A 2 3.841 -13.024 -5.681 1.00 92.11 N +ATOM 6 CA PRO A 2 4.621 -11.819 -5.462 1.00 92.49 C +ATOM 7 C PRO A 2 3.870 -10.793 -4.628 1.00 92.03 C +ATOM 8 O PRO A 2 2.669 -10.908 -4.409 1.00 90.45 O +ATOM 9 CB PRO A 2 4.861 -11.310 -6.879 1.00 89.85 C +ATOM 10 CG PRO A 2 3.656 -11.762 -7.616 1.00 86.07 C +ATOM 11 CD PRO A 2 3.302 -13.101 -7.034 1.00 88.56 C +HETATM 12 N HYP A 3 4.614 -9.788 -4.164 1.00 92.17 N +HETATM 13 CA HYP A 3 3.984 -8.714 -3.414 1.00 89.65 C +HETATM 14 C HYP A 3 2.949 -7.974 -4.236 1.00 92.15 C +HETATM 15 O HYP A 3 3.078 -7.915 -5.469 1.00 93.82 O +HETATM 16 CB HYP A 3 5.213 -7.759 -3.131 1.00 89.20 C +HETATM 17 CG HYP A 3 6.387 -8.693 -3.131 1.00 85.51 C +HETATM 18 CD HYP A 3 6.037 -9.697 -4.251 1.00 90.37 C +HETATM 19 OD1 HYP A 3 6.444 -9.355 -1.912 1.00 88.80 O +ATOM 20 N GLY A 4 1.929 -7.510 -3.589 1.00 93.40 N +ATOM 21 CA GLY A 4 0.889 -6.772 -4.245 1.00 92.65 C +ATOM 22 C GLY A 4 1.381 -5.408 -4.693 1.00 93.04 C +ATOM 23 O GLY A 4 2.486 -4.987 -4.356 1.00 93.37 O +ATOM 24 N PRO A 5 0.561 -4.699 -5.463 1.00 93.60 N +ATOM 25 CA PRO A 5 0.943 -3.382 -5.947 1.00 93.18 C +ATOM 26 C PRO A 5 0.938 -2.344 -4.832 1.00 92.91 C +ATOM 27 O PRO A 5 0.326 -2.544 -3.787 1.00 91.81 O +ATOM 28 CB PRO A 5 -0.123 -3.067 -6.992 1.00 91.66 C +ATOM 29 CG PRO A 5 -1.309 -3.816 -6.510 1.00 89.94 C +ATOM 30 CD PRO A 5 -0.773 -5.080 -5.910 1.00 92.27 C +HETATM 31 N HYP A 6 1.674 -1.243 -5.055 1.00 93.69 N +HETATM 32 CA HYP A 6 1.617 -0.124 -4.135 1.00 95.25 C +HETATM 33 C HYP A 6 0.212 0.419 -3.983 1.00 93.86 C +HETATM 34 O HYP A 6 -0.603 0.298 -4.922 1.00 93.56 O +HETATM 35 CB HYP A 6 2.503 0.937 -4.873 1.00 90.13 C +HETATM 36 CG HYP A 6 3.459 0.101 -5.661 1.00 87.57 C +HETATM 37 CD HYP A 6 2.598 -1.047 -6.135 1.00 91.40 C +HETATM 38 OD1 HYP A 6 4.466 -0.373 -4.802 1.00 89.59 O +ATOM 39 N GLY A 7 -0.076 0.914 -2.847 1.00 93.31 N +ATOM 40 CA GLY A 7 -1.356 1.506 -2.583 1.00 92.06 C +ATOM 41 C GLY A 7 -1.585 2.720 -3.456 1.00 92.42 C +ATOM 42 O GLY A 7 -0.665 3.235 -4.090 1.00 92.31 O +ATOM 43 N PRO A 8 -2.826 3.187 -3.505 1.00 93.72 N +ATOM 44 CA PRO A 8 -3.149 4.325 -4.349 1.00 93.26 C +ATOM 45 C PRO A 8 -2.618 5.631 -3.786 1.00 93.11 C +ATOM 46 O PRO A 8 -2.462 5.791 -2.578 1.00 91.79 O +ATOM 47 CB PRO A 8 -4.675 4.321 -4.377 1.00 91.26 C +ATOM 48 CG PRO A 8 -5.048 3.706 -3.085 1.00 90.03 C +ATOM 49 CD PRO A 8 -3.990 2.663 -2.811 1.00 91.87 C +HETATM 50 N HYP A 9 -2.357 6.560 -4.702 1.00 91.97 N +HETATM 51 CA HYP A 9 -1.940 7.873 -4.322 1.00 91.79 C +HETATM 52 C HYP A 9 -3.125 8.612 -3.676 1.00 92.35 C +HETATM 53 O HYP A 9 -4.294 8.288 -3.903 1.00 91.70 O +HETATM 54 CB HYP A 9 -1.744 8.609 -5.689 1.00 85.88 C +HETATM 55 CG HYP A 9 -1.603 7.523 -6.687 1.00 86.32 C +HETATM 56 CD HYP A 9 -2.418 6.425 -6.169 1.00 89.88 C +HETATM 57 OD1 HYP A 9 -0.250 7.108 -6.713 1.00 86.40 O +ATOM 58 N GLY A 10 -2.958 9.569 -2.942 1.00 91.03 N +ATOM 59 CA GLY A 10 -3.988 10.444 -2.439 1.00 88.17 C +ATOM 60 C GLY A 10 -3.608 11.890 -2.673 1.00 87.73 C +ATOM 61 O GLY A 10 -2.479 12.196 -3.052 1.00 86.16 O +ATOM 62 N ASN A 11 -4.550 12.777 -2.439 1.00 90.29 N +ATOM 63 CA ASN A 11 -4.283 14.200 -2.622 1.00 92.01 C +ATOM 64 C ASN A 11 -3.107 14.671 -1.776 1.00 92.23 C +ATOM 65 O ASN A 11 -2.377 15.574 -2.170 1.00 89.64 O +ATOM 66 CB ASN A 11 -5.518 15.022 -2.264 1.00 89.35 C +ATOM 67 CG ASN A 11 -6.469 15.169 -3.413 1.00 83.98 C +ATOM 68 OD1 ASN A 11 -6.185 14.759 -4.539 1.00 80.68 O +ATOM 69 ND2 ASN A 11 -7.614 15.774 -3.151 1.00 77.57 N +ATOM 70 N MET A 12 -2.956 14.075 -0.596 1.00 91.88 N +ATOM 71 CA MET A 12 -1.888 14.450 0.318 1.00 93.36 C +ATOM 72 C MET A 12 -1.049 13.258 0.733 1.00 93.03 C +ATOM 73 O MET A 12 -0.301 13.337 1.706 1.00 88.10 O +ATOM 74 CB MET A 12 -2.473 15.134 1.557 1.00 91.52 C +ATOM 75 CG MET A 12 -3.298 16.349 1.235 1.00 86.99 C +ATOM 76 SD MET A 12 -3.901 17.172 2.704 1.00 82.97 S +ATOM 77 CE MET A 12 -2.439 18.043 3.205 1.00 74.13 C +ATOM 78 N GLY A 13 -1.173 12.169 0.014 1.00 92.56 N +ATOM 79 CA GLY A 13 -0.499 10.953 0.411 1.00 91.39 C +ATOM 80 C GLY A 13 0.211 10.245 -0.715 1.00 91.94 C +ATOM 81 O GLY A 13 -0.287 10.185 -1.836 1.00 91.71 O +ATOM 82 N PRO A 14 1.377 9.703 -0.424 1.00 93.43 N +ATOM 83 CA PRO A 14 2.111 8.926 -1.411 1.00 93.07 C +ATOM 84 C PRO A 14 1.479 7.552 -1.574 1.00 93.11 C +ATOM 85 O PRO A 14 0.598 7.166 -0.811 1.00 92.30 O +ATOM 86 CB PRO A 14 3.508 8.826 -0.820 1.00 91.52 C +ATOM 87 CG PRO A 14 3.257 8.818 0.648 1.00 90.45 C +ATOM 88 CD PRO A 14 2.089 9.758 0.856 1.00 91.77 C +HETATM 89 N HYP A 15 1.972 6.846 -2.552 1.00 92.77 N +HETATM 90 CA HYP A 15 1.515 5.489 -2.715 1.00 92.26 C +HETATM 91 C HYP A 15 1.813 4.657 -1.502 1.00 93.88 C +HETATM 92 O HYP A 15 2.840 4.899 -0.816 1.00 93.03 O +HETATM 93 CB HYP A 15 2.391 4.994 -3.913 1.00 89.80 C +HETATM 94 CG HYP A 15 2.745 6.253 -4.659 1.00 88.83 C +HETATM 95 CD HYP A 15 2.942 7.256 -3.569 1.00 92.54 C +HETATM 96 OD1 HYP A 15 1.674 6.643 -5.466 1.00 90.06 O +ATOM 97 N GLY A 16 0.953 3.774 -1.189 1.00 93.93 N +ATOM 98 CA GLY A 16 1.175 2.882 -0.091 1.00 93.45 C +ATOM 99 C GLY A 16 2.231 1.857 -0.436 1.00 93.94 C +ATOM 100 O GLY A 16 2.683 1.775 -1.576 1.00 94.03 O +ATOM 101 N PRO A 17 2.630 1.078 0.552 1.00 92.81 N +ATOM 102 CA PRO A 17 3.633 0.050 0.311 1.00 92.25 C +ATOM 103 C PRO A 17 3.055 -1.097 -0.496 1.00 92.93 C +ATOM 104 O PRO A 17 1.838 -1.249 -0.594 1.00 92.00 O +ATOM 105 CB PRO A 17 4.031 -0.388 1.714 1.00 90.72 C +ATOM 106 CG PRO A 17 2.813 -0.139 2.519 1.00 89.59 C +ATOM 107 CD PRO A 17 2.192 1.098 1.943 1.00 91.14 C +HETATM 108 N HYP A 18 3.945 -1.889 -1.078 1.00 90.69 N +HETATM 109 CA HYP A 18 3.494 -3.081 -1.728 1.00 90.06 C +HETATM 110 C HYP A 18 2.756 -3.991 -0.808 1.00 92.07 C +HETATM 111 O HYP A 18 3.037 -4.018 0.418 1.00 91.89 O +HETATM 112 CB HYP A 18 4.845 -3.720 -2.173 1.00 88.20 C +HETATM 113 CG HYP A 18 5.783 -2.558 -2.347 1.00 85.47 C +HETATM 114 CD HYP A 18 5.378 -1.645 -1.220 1.00 90.68 C +HETATM 115 OD1 HYP A 18 5.532 -1.936 -3.588 1.00 88.87 O +ATOM 116 N GLY A 19 1.798 -4.669 -1.312 1.00 89.24 N +ATOM 117 CA GLY A 19 1.046 -5.610 -0.541 1.00 88.27 C +ATOM 118 C GLY A 19 1.898 -6.795 -0.141 1.00 88.04 C +ATOM 119 O GLY A 19 3.040 -6.936 -0.575 1.00 89.35 O +ATOM 120 N PRO A 20 1.340 -7.662 0.692 1.00 89.10 N +ATOM 121 CA PRO A 20 2.079 -8.834 1.124 1.00 89.17 C +ATOM 122 C PRO A 20 2.216 -9.843 0.002 1.00 88.64 C +ATOM 123 O PRO A 20 1.496 -9.783 -0.990 1.00 89.38 O +ATOM 124 CB PRO A 20 1.221 -9.380 2.257 1.00 87.09 C +ATOM 125 CG PRO A 20 -0.155 -8.951 1.894 1.00 84.22 C +ATOM 126 CD PRO A 20 0.003 -7.601 1.252 1.00 86.49 C +HETATM 127 N HYP A 21 3.182 -10.727 0.179 1.00 88.86 N +HETATM 128 CA HYP A 21 3.306 -11.813 -0.762 1.00 88.39 C +HETATM 129 C HYP A 21 2.026 -12.603 -0.913 1.00 88.15 C +HETATM 130 O HYP A 21 1.305 -12.762 0.073 1.00 92.26 O +HETATM 131 CB HYP A 21 4.421 -12.667 -0.187 1.00 85.33 C +HETATM 132 CG HYP A 21 5.240 -11.734 0.653 1.00 79.89 C +HETATM 133 CD HYP A 21 4.226 -10.792 1.228 1.00 88.32 C +HETATM 134 OD1 HYP A 21 6.126 -10.996 -0.194 1.00 84.93 O +ATOM 135 N GLY A 22 1.707 -12.964 -2.121 1.00 88.84 N +ATOM 136 CA GLY A 22 0.534 -13.737 -2.403 1.00 85.45 C +ATOM 137 C GLY A 22 0.678 -15.145 -1.856 1.00 85.24 C +ATOM 138 O GLY A 22 1.744 -15.533 -1.382 1.00 86.07 O +ATOM 139 N PRO A 23 -0.384 -15.941 -1.934 1.00 93.30 N +ATOM 140 CA PRO A 23 -0.317 -17.324 -1.459 1.00 93.25 C +ATOM 141 C PRO A 23 0.629 -18.122 -2.338 1.00 92.20 C +ATOM 142 O PRO A 23 0.322 -18.361 -3.507 1.00 89.67 O +ATOM 143 CB PRO A 23 -1.752 -17.826 -1.590 1.00 90.84 C +ATOM 144 CG PRO A 23 -2.571 -16.608 -1.794 1.00 87.81 C +ATOM 145 CD PRO A 23 -1.692 -15.601 -2.450 1.00 91.01 C +HETATM 146 N HYP A 24 1.749 -18.367 -1.978 1.00 93.97 N +HETATM 147 CA HYP A 24 2.943 -18.704 -2.911 1.00 88.93 C +HETATM 148 C HYP A 24 3.437 -17.863 -3.797 1.00 92.95 C +HETATM 149 O HYP A 24 3.485 -18.159 -5.091 1.00 93.09 O +HETATM 150 CB HYP A 24 3.753 -19.588 -1.944 1.00 86.66 C +HETATM 151 CG HYP A 24 2.713 -20.236 -1.006 1.00 85.91 C +HETATM 152 CD HYP A 24 1.574 -19.206 -0.894 1.00 90.06 C +HETATM 153 OD1 HYP A 24 3.242 -20.515 0.265 1.00 88.17 O +HETATM 154 OXT HYP A 24 4.539 -17.089 -3.483 1.00 88.09 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_197.txt b/protein_pdb_197.txt new file mode 100644 index 0000000000000000000000000000000000000000..c83039ccd00d5a0ea4f942f21dfe83b5e382c4ea --- /dev/null +++ b/protein_pdb_197.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 10.448 5.169 9.101 1.00 76.40 N +ATOM 2 CA GLY A 1 9.506 4.163 9.550 1.00 79.13 C +ATOM 3 C GLY A 1 9.291 3.108 8.498 1.00 79.22 C +ATOM 4 O GLY A 1 9.828 3.198 7.398 1.00 76.12 O +ATOM 5 N PRO A 2 8.503 2.126 8.816 1.00 77.92 N +ATOM 6 CA PRO A 2 8.248 1.048 7.866 1.00 79.58 C +ATOM 7 C PRO A 2 7.343 1.511 6.739 1.00 79.94 C +ATOM 8 O PRO A 2 6.695 2.545 6.824 1.00 79.05 O +ATOM 9 CB PRO A 2 7.573 -0.022 8.720 1.00 74.92 C +ATOM 10 CG PRO A 2 6.890 0.753 9.784 1.00 68.64 C +ATOM 11 CD PRO A 2 7.772 1.934 10.071 1.00 67.38 C +HETATM 12 N HYP A 3 7.349 0.756 5.736 1.00 77.56 N +HETATM 13 CA HYP A 3 6.416 0.981 4.630 1.00 80.65 C +HETATM 14 C HYP A 3 5.008 1.021 5.121 1.00 80.98 C +HETATM 15 O HYP A 3 4.657 0.330 6.123 1.00 85.08 O +HETATM 16 CB HYP A 3 6.677 -0.233 3.741 1.00 82.16 C +HETATM 17 CG HYP A 3 8.113 -0.579 4.008 1.00 78.39 C +HETATM 18 CD HYP A 3 8.239 -0.342 5.516 1.00 82.19 C +HETATM 19 OD1 HYP A 3 8.938 0.291 3.315 1.00 84.62 O +ATOM 20 N GLY A 4 4.210 1.819 4.498 1.00 87.02 N +ATOM 21 CA GLY A 4 2.816 1.877 4.840 1.00 85.69 C +ATOM 22 C GLY A 4 2.103 0.593 4.479 1.00 84.91 C +ATOM 23 O GLY A 4 2.671 -0.302 3.843 1.00 84.53 O +ATOM 24 N PRO A 5 0.852 0.508 4.879 1.00 85.72 N +ATOM 25 CA PRO A 5 0.080 -0.686 4.563 1.00 84.18 C +ATOM 26 C PRO A 5 -0.227 -0.761 3.078 1.00 83.93 C +ATOM 27 O PRO A 5 -0.188 0.237 2.368 1.00 82.00 O +ATOM 28 CB PRO A 5 -1.189 -0.517 5.390 1.00 80.60 C +ATOM 29 CG PRO A 5 -1.325 0.952 5.550 1.00 78.37 C +ATOM 30 CD PRO A 5 0.064 1.505 5.609 1.00 79.29 C +HETATM 31 N HYP A 6 -0.523 -1.956 2.628 1.00 80.58 N +HETATM 32 CA HYP A 6 -0.957 -2.132 1.269 1.00 89.05 C +HETATM 33 C HYP A 6 -2.170 -1.343 0.967 1.00 84.68 C +HETATM 34 O HYP A 6 -3.012 -1.091 1.878 1.00 84.90 O +HETATM 35 CB HYP A 6 -1.226 -3.648 1.259 1.00 86.14 C +HETATM 36 CG HYP A 6 -0.314 -4.224 2.315 1.00 82.30 C +HETATM 37 CD HYP A 6 -0.366 -3.170 3.380 1.00 81.08 C +HETATM 38 OD1 HYP A 6 0.968 -4.343 1.791 1.00 84.56 O +ATOM 39 N GLY A 7 -2.270 -0.869 -0.230 1.00 86.51 N +ATOM 40 CA GLY A 7 -3.455 -0.181 -0.661 1.00 83.66 C +ATOM 41 C GLY A 7 -4.654 -1.108 -0.694 1.00 83.73 C +ATOM 42 O GLY A 7 -4.535 -2.321 -0.512 1.00 82.71 O +ATOM 43 N PRO A 8 -5.814 -0.530 -0.935 1.00 86.41 N +ATOM 44 CA PRO A 8 -7.014 -1.351 -0.992 1.00 85.45 C +ATOM 45 C PRO A 8 -7.025 -2.231 -2.225 1.00 85.61 C +ATOM 46 O PRO A 8 -6.377 -1.947 -3.228 1.00 83.34 O +ATOM 47 CB PRO A 8 -8.143 -0.322 -1.028 1.00 81.85 C +ATOM 48 CG PRO A 8 -7.520 0.893 -1.591 1.00 81.92 C +ATOM 49 CD PRO A 8 -6.086 0.882 -1.172 1.00 83.17 C +HETATM 50 N HYP A 9 -7.772 -3.307 -2.149 1.00 81.25 N +HETATM 51 CA HYP A 9 -7.935 -4.174 -3.254 1.00 84.87 C +HETATM 52 C HYP A 9 -8.645 -3.514 -4.379 1.00 81.77 C +HETATM 53 O HYP A 9 -9.519 -2.684 -4.171 1.00 83.87 O +HETATM 54 CB HYP A 9 -8.853 -5.274 -2.712 1.00 80.70 C +HETATM 55 CG HYP A 9 -8.577 -5.306 -1.259 1.00 79.47 C +HETATM 56 CD HYP A 9 -8.351 -3.879 -0.935 1.00 82.45 C +HETATM 57 OD1 HYP A 9 -7.401 -6.045 -1.037 1.00 82.60 O +ATOM 58 N GLY A 10 -8.207 -3.800 -5.581 1.00 82.61 N +ATOM 59 CA GLY A 10 -8.943 -3.406 -6.746 1.00 79.87 C +ATOM 60 C GLY A 10 -10.166 -4.286 -6.897 1.00 80.71 C +ATOM 61 O GLY A 10 -10.447 -5.163 -6.076 1.00 79.00 O +ATOM 62 N PHE A 11 -10.892 -4.081 -7.963 1.00 79.95 N +ATOM 63 CA PHE A 11 -12.045 -4.914 -8.256 1.00 82.84 C +ATOM 64 C PHE A 11 -11.526 -6.286 -8.670 1.00 80.88 C +ATOM 65 O PHE A 11 -10.932 -6.418 -9.748 1.00 79.90 O +ATOM 66 CB PHE A 11 -12.877 -4.267 -9.361 1.00 81.47 C +ATOM 67 CG PHE A 11 -14.206 -4.944 -9.585 1.00 77.34 C +ATOM 68 CD1 PHE A 11 -14.272 -6.161 -10.228 1.00 75.26 C +ATOM 69 CD2 PHE A 11 -15.378 -4.360 -9.148 1.00 75.66 C +ATOM 70 CE1 PHE A 11 -15.485 -6.798 -10.427 1.00 74.45 C +ATOM 71 CE2 PHE A 11 -16.598 -4.981 -9.356 1.00 76.11 C +ATOM 72 CZ PHE A 11 -16.664 -6.206 -9.999 1.00 74.31 C +HETATM 73 N HYP A 12 -11.723 -7.316 -7.888 1.00 77.74 N +HETATM 74 CA HYP A 12 -10.877 -8.406 -7.924 1.00 80.03 C +HETATM 75 C HYP A 12 -9.467 -8.314 -7.974 1.00 85.96 C +HETATM 76 O HYP A 12 -8.724 -9.273 -8.216 1.00 86.16 O +HETATM 77 CB HYP A 12 -11.583 -9.666 -7.686 1.00 78.06 C +HETATM 78 CG HYP A 12 -13.051 -9.240 -7.511 1.00 75.90 C +HETATM 79 CD HYP A 12 -13.058 -7.787 -7.760 1.00 76.88 C +HETATM 80 OD1 HYP A 12 -13.524 -9.457 -6.201 1.00 81.61 O +ATOM 81 N GLY A 13 -8.916 -7.112 -7.774 1.00 88.91 N +ATOM 82 CA GLY A 13 -7.495 -6.867 -7.814 1.00 86.69 C +ATOM 83 C GLY A 13 -6.834 -7.063 -6.466 1.00 87.03 C +ATOM 84 O GLY A 13 -7.498 -7.102 -5.429 1.00 86.66 O +ATOM 85 N PRO A 14 -5.533 -7.181 -6.483 1.00 84.34 N +ATOM 86 CA PRO A 14 -4.786 -7.377 -5.254 1.00 84.08 C +ATOM 87 C PRO A 14 -4.661 -6.078 -4.478 1.00 83.90 C +ATOM 88 O PRO A 14 -4.918 -4.997 -4.987 1.00 81.93 O +ATOM 89 CB PRO A 14 -3.423 -7.848 -5.749 1.00 80.82 C +ATOM 90 CG PRO A 14 -3.266 -7.162 -7.059 1.00 80.00 C +ATOM 91 CD PRO A 14 -4.651 -7.124 -7.654 1.00 80.60 C +HETATM 92 N HYP A 15 -4.243 -6.246 -3.258 1.00 83.28 N +HETATM 93 CA HYP A 15 -3.917 -5.069 -2.482 1.00 88.77 C +HETATM 94 C HYP A 15 -2.872 -4.245 -3.163 1.00 88.08 C +HETATM 95 O HYP A 15 -2.007 -4.820 -3.870 1.00 87.79 O +HETATM 96 CB HYP A 15 -3.379 -5.697 -1.184 1.00 84.85 C +HETATM 97 CG HYP A 15 -4.080 -7.022 -1.100 1.00 80.85 C +HETATM 98 CD HYP A 15 -4.126 -7.472 -2.547 1.00 84.88 C +HETATM 99 OD1 HYP A 15 -5.381 -6.856 -0.611 1.00 84.26 O +ATOM 100 N GLY A 16 -2.953 -2.978 -3.007 1.00 87.21 N +ATOM 101 CA GLY A 16 -1.953 -2.117 -3.562 1.00 86.27 C +ATOM 102 C GLY A 16 -0.604 -2.323 -2.887 1.00 87.30 C +ATOM 103 O GLY A 16 -0.491 -3.035 -1.891 1.00 87.55 O +ATOM 104 N PRO A 17 0.411 -1.690 -3.453 1.00 85.11 N +ATOM 105 CA PRO A 17 1.741 -1.822 -2.880 1.00 85.18 C +ATOM 106 C PRO A 17 1.831 -1.118 -1.536 1.00 85.91 C +ATOM 107 O PRO A 17 1.027 -0.250 -1.217 1.00 83.62 O +ATOM 108 CB PRO A 17 2.644 -1.163 -3.918 1.00 81.70 C +ATOM 109 CG PRO A 17 1.757 -0.204 -4.615 1.00 80.99 C +ATOM 110 CD PRO A 17 0.385 -0.813 -4.614 1.00 82.17 C +HETATM 111 N HYP A 18 2.792 -1.495 -0.757 1.00 81.67 N +HETATM 112 CA HYP A 18 3.061 -0.849 0.486 1.00 91.85 C +HETATM 113 C HYP A 18 3.313 0.628 0.282 1.00 88.08 C +HETATM 114 O HYP A 18 3.858 1.034 -0.770 1.00 86.77 O +HETATM 115 CB HYP A 18 4.309 -1.553 0.981 1.00 86.76 C +HETATM 116 CG HYP A 18 4.255 -2.920 0.333 1.00 84.38 C +HETATM 117 CD HYP A 18 3.674 -2.609 -1.024 1.00 86.38 C +HETATM 118 OD1 HYP A 18 3.365 -3.751 1.045 1.00 86.42 O +ATOM 119 N GLY A 19 2.903 1.406 1.202 1.00 88.22 N +ATOM 120 CA GLY A 19 3.196 2.808 1.167 1.00 87.35 C +ATOM 121 C GLY A 19 4.681 3.067 1.323 1.00 87.52 C +ATOM 122 O GLY A 19 5.461 2.158 1.603 1.00 87.68 O +ATOM 123 N PRO A 20 5.070 4.308 1.139 1.00 82.50 N +ATOM 124 CA PRO A 20 6.477 4.645 1.280 1.00 81.89 C +ATOM 125 C PRO A 20 6.919 4.556 2.727 1.00 81.62 C +ATOM 126 O PRO A 20 6.108 4.583 3.647 1.00 80.37 O +ATOM 127 CB PRO A 20 6.544 6.075 0.759 1.00 77.86 C +ATOM 128 CG PRO A 20 5.176 6.612 0.963 1.00 75.55 C +ATOM 129 CD PRO A 20 4.237 5.462 0.812 1.00 76.93 C +HETATM 130 N HYP A 21 8.210 4.435 2.935 1.00 79.25 N +HETATM 131 CA HYP A 21 8.766 4.444 4.238 1.00 86.48 C +HETATM 132 C HYP A 21 8.414 5.695 5.001 1.00 83.29 C +HETATM 133 O HYP A 21 8.222 6.750 4.369 1.00 86.18 O +HETATM 134 CB HYP A 21 10.244 4.332 4.007 1.00 82.26 C +HETATM 135 CG HYP A 21 10.352 3.614 2.699 1.00 78.72 C +HETATM 136 CD HYP A 21 9.204 4.145 1.909 1.00 82.38 C +HETATM 137 OD1 HYP A 21 10.171 2.220 2.872 1.00 85.77 O +ATOM 138 N GLY A 22 8.206 5.592 6.253 1.00 85.42 N +ATOM 139 CA GLY A 22 7.973 6.736 7.077 1.00 82.45 C +ATOM 140 C GLY A 22 9.183 7.655 7.119 1.00 82.00 C +ATOM 141 O GLY A 22 10.206 7.387 6.493 1.00 81.53 O +ATOM 142 N PRO A 23 9.069 8.734 7.866 1.00 80.24 N +ATOM 143 CA PRO A 23 10.176 9.675 7.947 1.00 81.75 C +ATOM 144 C PRO A 23 11.380 9.052 8.635 1.00 81.24 C +ATOM 145 O PRO A 23 11.262 8.076 9.372 1.00 77.16 O +ATOM 146 CB PRO A 23 9.597 10.838 8.746 1.00 76.29 C +ATOM 147 CG PRO A 23 8.473 10.249 9.506 1.00 73.62 C +ATOM 148 CD PRO A 23 7.941 9.115 8.689 1.00 75.67 C +HETATM 149 N HYP A 24 12.520 9.550 8.498 1.00 83.45 N +HETATM 150 CA HYP A 24 13.715 8.946 8.991 1.00 77.24 C +HETATM 151 C HYP A 24 13.644 8.195 10.226 1.00 81.28 C +HETATM 152 O HYP A 24 14.586 7.503 10.580 1.00 79.72 O +HETATM 153 CB HYP A 24 14.750 10.036 8.909 1.00 79.59 C +HETATM 154 CG HYP A 24 14.147 11.155 8.130 1.00 77.98 C +HETATM 155 CD HYP A 24 12.656 10.876 8.092 1.00 81.77 C +HETATM 156 OD1 HYP A 24 14.586 11.117 6.774 1.00 81.47 O +HETATM 157 OXT HYP A 24 12.648 8.330 10.927 1.00 73.92 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_198.txt b/protein_pdb_198.txt new file mode 100644 index 0000000000000000000000000000000000000000..c83039ccd00d5a0ea4f942f21dfe83b5e382c4ea --- /dev/null +++ b/protein_pdb_198.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 10.448 5.169 9.101 1.00 76.40 N +ATOM 2 CA GLY A 1 9.506 4.163 9.550 1.00 79.13 C +ATOM 3 C GLY A 1 9.291 3.108 8.498 1.00 79.22 C +ATOM 4 O GLY A 1 9.828 3.198 7.398 1.00 76.12 O +ATOM 5 N PRO A 2 8.503 2.126 8.816 1.00 77.92 N +ATOM 6 CA PRO A 2 8.248 1.048 7.866 1.00 79.58 C +ATOM 7 C PRO A 2 7.343 1.511 6.739 1.00 79.94 C +ATOM 8 O PRO A 2 6.695 2.545 6.824 1.00 79.05 O +ATOM 9 CB PRO A 2 7.573 -0.022 8.720 1.00 74.92 C +ATOM 10 CG PRO A 2 6.890 0.753 9.784 1.00 68.64 C +ATOM 11 CD PRO A 2 7.772 1.934 10.071 1.00 67.38 C +HETATM 12 N HYP A 3 7.349 0.756 5.736 1.00 77.56 N +HETATM 13 CA HYP A 3 6.416 0.981 4.630 1.00 80.65 C +HETATM 14 C HYP A 3 5.008 1.021 5.121 1.00 80.98 C +HETATM 15 O HYP A 3 4.657 0.330 6.123 1.00 85.08 O +HETATM 16 CB HYP A 3 6.677 -0.233 3.741 1.00 82.16 C +HETATM 17 CG HYP A 3 8.113 -0.579 4.008 1.00 78.39 C +HETATM 18 CD HYP A 3 8.239 -0.342 5.516 1.00 82.19 C +HETATM 19 OD1 HYP A 3 8.938 0.291 3.315 1.00 84.62 O +ATOM 20 N GLY A 4 4.210 1.819 4.498 1.00 87.02 N +ATOM 21 CA GLY A 4 2.816 1.877 4.840 1.00 85.69 C +ATOM 22 C GLY A 4 2.103 0.593 4.479 1.00 84.91 C +ATOM 23 O GLY A 4 2.671 -0.302 3.843 1.00 84.53 O +ATOM 24 N PRO A 5 0.852 0.508 4.879 1.00 85.72 N +ATOM 25 CA PRO A 5 0.080 -0.686 4.563 1.00 84.18 C +ATOM 26 C PRO A 5 -0.227 -0.761 3.078 1.00 83.93 C +ATOM 27 O PRO A 5 -0.188 0.237 2.368 1.00 82.00 O +ATOM 28 CB PRO A 5 -1.189 -0.517 5.390 1.00 80.60 C +ATOM 29 CG PRO A 5 -1.325 0.952 5.550 1.00 78.37 C +ATOM 30 CD PRO A 5 0.064 1.505 5.609 1.00 79.29 C +HETATM 31 N HYP A 6 -0.523 -1.956 2.628 1.00 80.58 N +HETATM 32 CA HYP A 6 -0.957 -2.132 1.269 1.00 89.05 C +HETATM 33 C HYP A 6 -2.170 -1.343 0.967 1.00 84.68 C +HETATM 34 O HYP A 6 -3.012 -1.091 1.878 1.00 84.90 O +HETATM 35 CB HYP A 6 -1.226 -3.648 1.259 1.00 86.14 C +HETATM 36 CG HYP A 6 -0.314 -4.224 2.315 1.00 82.30 C +HETATM 37 CD HYP A 6 -0.366 -3.170 3.380 1.00 81.08 C +HETATM 38 OD1 HYP A 6 0.968 -4.343 1.791 1.00 84.56 O +ATOM 39 N GLY A 7 -2.270 -0.869 -0.230 1.00 86.51 N +ATOM 40 CA GLY A 7 -3.455 -0.181 -0.661 1.00 83.66 C +ATOM 41 C GLY A 7 -4.654 -1.108 -0.694 1.00 83.73 C +ATOM 42 O GLY A 7 -4.535 -2.321 -0.512 1.00 82.71 O +ATOM 43 N PRO A 8 -5.814 -0.530 -0.935 1.00 86.41 N +ATOM 44 CA PRO A 8 -7.014 -1.351 -0.992 1.00 85.45 C +ATOM 45 C PRO A 8 -7.025 -2.231 -2.225 1.00 85.61 C +ATOM 46 O PRO A 8 -6.377 -1.947 -3.228 1.00 83.34 O +ATOM 47 CB PRO A 8 -8.143 -0.322 -1.028 1.00 81.85 C +ATOM 48 CG PRO A 8 -7.520 0.893 -1.591 1.00 81.92 C +ATOM 49 CD PRO A 8 -6.086 0.882 -1.172 1.00 83.17 C +HETATM 50 N HYP A 9 -7.772 -3.307 -2.149 1.00 81.25 N +HETATM 51 CA HYP A 9 -7.935 -4.174 -3.254 1.00 84.87 C +HETATM 52 C HYP A 9 -8.645 -3.514 -4.379 1.00 81.77 C +HETATM 53 O HYP A 9 -9.519 -2.684 -4.171 1.00 83.87 O +HETATM 54 CB HYP A 9 -8.853 -5.274 -2.712 1.00 80.70 C +HETATM 55 CG HYP A 9 -8.577 -5.306 -1.259 1.00 79.47 C +HETATM 56 CD HYP A 9 -8.351 -3.879 -0.935 1.00 82.45 C +HETATM 57 OD1 HYP A 9 -7.401 -6.045 -1.037 1.00 82.60 O +ATOM 58 N GLY A 10 -8.207 -3.800 -5.581 1.00 82.61 N +ATOM 59 CA GLY A 10 -8.943 -3.406 -6.746 1.00 79.87 C +ATOM 60 C GLY A 10 -10.166 -4.286 -6.897 1.00 80.71 C +ATOM 61 O GLY A 10 -10.447 -5.163 -6.076 1.00 79.00 O +ATOM 62 N PHE A 11 -10.892 -4.081 -7.963 1.00 79.95 N +ATOM 63 CA PHE A 11 -12.045 -4.914 -8.256 1.00 82.84 C +ATOM 64 C PHE A 11 -11.526 -6.286 -8.670 1.00 80.88 C +ATOM 65 O PHE A 11 -10.932 -6.418 -9.748 1.00 79.90 O +ATOM 66 CB PHE A 11 -12.877 -4.267 -9.361 1.00 81.47 C +ATOM 67 CG PHE A 11 -14.206 -4.944 -9.585 1.00 77.34 C +ATOM 68 CD1 PHE A 11 -14.272 -6.161 -10.228 1.00 75.26 C +ATOM 69 CD2 PHE A 11 -15.378 -4.360 -9.148 1.00 75.66 C +ATOM 70 CE1 PHE A 11 -15.485 -6.798 -10.427 1.00 74.45 C +ATOM 71 CE2 PHE A 11 -16.598 -4.981 -9.356 1.00 76.11 C +ATOM 72 CZ PHE A 11 -16.664 -6.206 -9.999 1.00 74.31 C +HETATM 73 N HYP A 12 -11.723 -7.316 -7.888 1.00 77.74 N +HETATM 74 CA HYP A 12 -10.877 -8.406 -7.924 1.00 80.03 C +HETATM 75 C HYP A 12 -9.467 -8.314 -7.974 1.00 85.96 C +HETATM 76 O HYP A 12 -8.724 -9.273 -8.216 1.00 86.16 O +HETATM 77 CB HYP A 12 -11.583 -9.666 -7.686 1.00 78.06 C +HETATM 78 CG HYP A 12 -13.051 -9.240 -7.511 1.00 75.90 C +HETATM 79 CD HYP A 12 -13.058 -7.787 -7.760 1.00 76.88 C +HETATM 80 OD1 HYP A 12 -13.524 -9.457 -6.201 1.00 81.61 O +ATOM 81 N GLY A 13 -8.916 -7.112 -7.774 1.00 88.91 N +ATOM 82 CA GLY A 13 -7.495 -6.867 -7.814 1.00 86.69 C +ATOM 83 C GLY A 13 -6.834 -7.063 -6.466 1.00 87.03 C +ATOM 84 O GLY A 13 -7.498 -7.102 -5.429 1.00 86.66 O +ATOM 85 N PRO A 14 -5.533 -7.181 -6.483 1.00 84.34 N +ATOM 86 CA PRO A 14 -4.786 -7.377 -5.254 1.00 84.08 C +ATOM 87 C PRO A 14 -4.661 -6.078 -4.478 1.00 83.90 C +ATOM 88 O PRO A 14 -4.918 -4.997 -4.987 1.00 81.93 O +ATOM 89 CB PRO A 14 -3.423 -7.848 -5.749 1.00 80.82 C +ATOM 90 CG PRO A 14 -3.266 -7.162 -7.059 1.00 80.00 C +ATOM 91 CD PRO A 14 -4.651 -7.124 -7.654 1.00 80.60 C +HETATM 92 N HYP A 15 -4.243 -6.246 -3.258 1.00 83.28 N +HETATM 93 CA HYP A 15 -3.917 -5.069 -2.482 1.00 88.77 C +HETATM 94 C HYP A 15 -2.872 -4.245 -3.163 1.00 88.08 C +HETATM 95 O HYP A 15 -2.007 -4.820 -3.870 1.00 87.79 O +HETATM 96 CB HYP A 15 -3.379 -5.697 -1.184 1.00 84.85 C +HETATM 97 CG HYP A 15 -4.080 -7.022 -1.100 1.00 80.85 C +HETATM 98 CD HYP A 15 -4.126 -7.472 -2.547 1.00 84.88 C +HETATM 99 OD1 HYP A 15 -5.381 -6.856 -0.611 1.00 84.26 O +ATOM 100 N GLY A 16 -2.953 -2.978 -3.007 1.00 87.21 N +ATOM 101 CA GLY A 16 -1.953 -2.117 -3.562 1.00 86.27 C +ATOM 102 C GLY A 16 -0.604 -2.323 -2.887 1.00 87.30 C +ATOM 103 O GLY A 16 -0.491 -3.035 -1.891 1.00 87.55 O +ATOM 104 N PRO A 17 0.411 -1.690 -3.453 1.00 85.11 N +ATOM 105 CA PRO A 17 1.741 -1.822 -2.880 1.00 85.18 C +ATOM 106 C PRO A 17 1.831 -1.118 -1.536 1.00 85.91 C +ATOM 107 O PRO A 17 1.027 -0.250 -1.217 1.00 83.62 O +ATOM 108 CB PRO A 17 2.644 -1.163 -3.918 1.00 81.70 C +ATOM 109 CG PRO A 17 1.757 -0.204 -4.615 1.00 80.99 C +ATOM 110 CD PRO A 17 0.385 -0.813 -4.614 1.00 82.17 C +HETATM 111 N HYP A 18 2.792 -1.495 -0.757 1.00 81.67 N +HETATM 112 CA HYP A 18 3.061 -0.849 0.486 1.00 91.85 C +HETATM 113 C HYP A 18 3.313 0.628 0.282 1.00 88.08 C +HETATM 114 O HYP A 18 3.858 1.034 -0.770 1.00 86.77 O +HETATM 115 CB HYP A 18 4.309 -1.553 0.981 1.00 86.76 C +HETATM 116 CG HYP A 18 4.255 -2.920 0.333 1.00 84.38 C +HETATM 117 CD HYP A 18 3.674 -2.609 -1.024 1.00 86.38 C +HETATM 118 OD1 HYP A 18 3.365 -3.751 1.045 1.00 86.42 O +ATOM 119 N GLY A 19 2.903 1.406 1.202 1.00 88.22 N +ATOM 120 CA GLY A 19 3.196 2.808 1.167 1.00 87.35 C +ATOM 121 C GLY A 19 4.681 3.067 1.323 1.00 87.52 C +ATOM 122 O GLY A 19 5.461 2.158 1.603 1.00 87.68 O +ATOM 123 N PRO A 20 5.070 4.308 1.139 1.00 82.50 N +ATOM 124 CA PRO A 20 6.477 4.645 1.280 1.00 81.89 C +ATOM 125 C PRO A 20 6.919 4.556 2.727 1.00 81.62 C +ATOM 126 O PRO A 20 6.108 4.583 3.647 1.00 80.37 O +ATOM 127 CB PRO A 20 6.544 6.075 0.759 1.00 77.86 C +ATOM 128 CG PRO A 20 5.176 6.612 0.963 1.00 75.55 C +ATOM 129 CD PRO A 20 4.237 5.462 0.812 1.00 76.93 C +HETATM 130 N HYP A 21 8.210 4.435 2.935 1.00 79.25 N +HETATM 131 CA HYP A 21 8.766 4.444 4.238 1.00 86.48 C +HETATM 132 C HYP A 21 8.414 5.695 5.001 1.00 83.29 C +HETATM 133 O HYP A 21 8.222 6.750 4.369 1.00 86.18 O +HETATM 134 CB HYP A 21 10.244 4.332 4.007 1.00 82.26 C +HETATM 135 CG HYP A 21 10.352 3.614 2.699 1.00 78.72 C +HETATM 136 CD HYP A 21 9.204 4.145 1.909 1.00 82.38 C +HETATM 137 OD1 HYP A 21 10.171 2.220 2.872 1.00 85.77 O +ATOM 138 N GLY A 22 8.206 5.592 6.253 1.00 85.42 N +ATOM 139 CA GLY A 22 7.973 6.736 7.077 1.00 82.45 C +ATOM 140 C GLY A 22 9.183 7.655 7.119 1.00 82.00 C +ATOM 141 O GLY A 22 10.206 7.387 6.493 1.00 81.53 O +ATOM 142 N PRO A 23 9.069 8.734 7.866 1.00 80.24 N +ATOM 143 CA PRO A 23 10.176 9.675 7.947 1.00 81.75 C +ATOM 144 C PRO A 23 11.380 9.052 8.635 1.00 81.24 C +ATOM 145 O PRO A 23 11.262 8.076 9.372 1.00 77.16 O +ATOM 146 CB PRO A 23 9.597 10.838 8.746 1.00 76.29 C +ATOM 147 CG PRO A 23 8.473 10.249 9.506 1.00 73.62 C +ATOM 148 CD PRO A 23 7.941 9.115 8.689 1.00 75.67 C +HETATM 149 N HYP A 24 12.520 9.550 8.498 1.00 83.45 N +HETATM 150 CA HYP A 24 13.715 8.946 8.991 1.00 77.24 C +HETATM 151 C HYP A 24 13.644 8.195 10.226 1.00 81.28 C +HETATM 152 O HYP A 24 14.586 7.503 10.580 1.00 79.72 O +HETATM 153 CB HYP A 24 14.750 10.036 8.909 1.00 79.59 C +HETATM 154 CG HYP A 24 14.147 11.155 8.130 1.00 77.98 C +HETATM 155 CD HYP A 24 12.656 10.876 8.092 1.00 81.77 C +HETATM 156 OD1 HYP A 24 14.586 11.117 6.774 1.00 81.47 O +HETATM 157 OXT HYP A 24 12.648 8.330 10.927 1.00 73.92 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_199.txt b/protein_pdb_199.txt new file mode 100644 index 0000000000000000000000000000000000000000..c83039ccd00d5a0ea4f942f21dfe83b5e382c4ea --- /dev/null +++ b/protein_pdb_199.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 10.448 5.169 9.101 1.00 76.40 N +ATOM 2 CA GLY A 1 9.506 4.163 9.550 1.00 79.13 C +ATOM 3 C GLY A 1 9.291 3.108 8.498 1.00 79.22 C +ATOM 4 O GLY A 1 9.828 3.198 7.398 1.00 76.12 O +ATOM 5 N PRO A 2 8.503 2.126 8.816 1.00 77.92 N +ATOM 6 CA PRO A 2 8.248 1.048 7.866 1.00 79.58 C +ATOM 7 C PRO A 2 7.343 1.511 6.739 1.00 79.94 C +ATOM 8 O PRO A 2 6.695 2.545 6.824 1.00 79.05 O +ATOM 9 CB PRO A 2 7.573 -0.022 8.720 1.00 74.92 C +ATOM 10 CG PRO A 2 6.890 0.753 9.784 1.00 68.64 C +ATOM 11 CD PRO A 2 7.772 1.934 10.071 1.00 67.38 C +HETATM 12 N HYP A 3 7.349 0.756 5.736 1.00 77.56 N +HETATM 13 CA HYP A 3 6.416 0.981 4.630 1.00 80.65 C +HETATM 14 C HYP A 3 5.008 1.021 5.121 1.00 80.98 C +HETATM 15 O HYP A 3 4.657 0.330 6.123 1.00 85.08 O +HETATM 16 CB HYP A 3 6.677 -0.233 3.741 1.00 82.16 C +HETATM 17 CG HYP A 3 8.113 -0.579 4.008 1.00 78.39 C +HETATM 18 CD HYP A 3 8.239 -0.342 5.516 1.00 82.19 C +HETATM 19 OD1 HYP A 3 8.938 0.291 3.315 1.00 84.62 O +ATOM 20 N GLY A 4 4.210 1.819 4.498 1.00 87.02 N +ATOM 21 CA GLY A 4 2.816 1.877 4.840 1.00 85.69 C +ATOM 22 C GLY A 4 2.103 0.593 4.479 1.00 84.91 C +ATOM 23 O GLY A 4 2.671 -0.302 3.843 1.00 84.53 O +ATOM 24 N PRO A 5 0.852 0.508 4.879 1.00 85.72 N +ATOM 25 CA PRO A 5 0.080 -0.686 4.563 1.00 84.18 C +ATOM 26 C PRO A 5 -0.227 -0.761 3.078 1.00 83.93 C +ATOM 27 O PRO A 5 -0.188 0.237 2.368 1.00 82.00 O +ATOM 28 CB PRO A 5 -1.189 -0.517 5.390 1.00 80.60 C +ATOM 29 CG PRO A 5 -1.325 0.952 5.550 1.00 78.37 C +ATOM 30 CD PRO A 5 0.064 1.505 5.609 1.00 79.29 C +HETATM 31 N HYP A 6 -0.523 -1.956 2.628 1.00 80.58 N +HETATM 32 CA HYP A 6 -0.957 -2.132 1.269 1.00 89.05 C +HETATM 33 C HYP A 6 -2.170 -1.343 0.967 1.00 84.68 C +HETATM 34 O HYP A 6 -3.012 -1.091 1.878 1.00 84.90 O +HETATM 35 CB HYP A 6 -1.226 -3.648 1.259 1.00 86.14 C +HETATM 36 CG HYP A 6 -0.314 -4.224 2.315 1.00 82.30 C +HETATM 37 CD HYP A 6 -0.366 -3.170 3.380 1.00 81.08 C +HETATM 38 OD1 HYP A 6 0.968 -4.343 1.791 1.00 84.56 O +ATOM 39 N GLY A 7 -2.270 -0.869 -0.230 1.00 86.51 N +ATOM 40 CA GLY A 7 -3.455 -0.181 -0.661 1.00 83.66 C +ATOM 41 C GLY A 7 -4.654 -1.108 -0.694 1.00 83.73 C +ATOM 42 O GLY A 7 -4.535 -2.321 -0.512 1.00 82.71 O +ATOM 43 N PRO A 8 -5.814 -0.530 -0.935 1.00 86.41 N +ATOM 44 CA PRO A 8 -7.014 -1.351 -0.992 1.00 85.45 C +ATOM 45 C PRO A 8 -7.025 -2.231 -2.225 1.00 85.61 C +ATOM 46 O PRO A 8 -6.377 -1.947 -3.228 1.00 83.34 O +ATOM 47 CB PRO A 8 -8.143 -0.322 -1.028 1.00 81.85 C +ATOM 48 CG PRO A 8 -7.520 0.893 -1.591 1.00 81.92 C +ATOM 49 CD PRO A 8 -6.086 0.882 -1.172 1.00 83.17 C +HETATM 50 N HYP A 9 -7.772 -3.307 -2.149 1.00 81.25 N +HETATM 51 CA HYP A 9 -7.935 -4.174 -3.254 1.00 84.87 C +HETATM 52 C HYP A 9 -8.645 -3.514 -4.379 1.00 81.77 C +HETATM 53 O HYP A 9 -9.519 -2.684 -4.171 1.00 83.87 O +HETATM 54 CB HYP A 9 -8.853 -5.274 -2.712 1.00 80.70 C +HETATM 55 CG HYP A 9 -8.577 -5.306 -1.259 1.00 79.47 C +HETATM 56 CD HYP A 9 -8.351 -3.879 -0.935 1.00 82.45 C +HETATM 57 OD1 HYP A 9 -7.401 -6.045 -1.037 1.00 82.60 O +ATOM 58 N GLY A 10 -8.207 -3.800 -5.581 1.00 82.61 N +ATOM 59 CA GLY A 10 -8.943 -3.406 -6.746 1.00 79.87 C +ATOM 60 C GLY A 10 -10.166 -4.286 -6.897 1.00 80.71 C +ATOM 61 O GLY A 10 -10.447 -5.163 -6.076 1.00 79.00 O +ATOM 62 N PHE A 11 -10.892 -4.081 -7.963 1.00 79.95 N +ATOM 63 CA PHE A 11 -12.045 -4.914 -8.256 1.00 82.84 C +ATOM 64 C PHE A 11 -11.526 -6.286 -8.670 1.00 80.88 C +ATOM 65 O PHE A 11 -10.932 -6.418 -9.748 1.00 79.90 O +ATOM 66 CB PHE A 11 -12.877 -4.267 -9.361 1.00 81.47 C +ATOM 67 CG PHE A 11 -14.206 -4.944 -9.585 1.00 77.34 C +ATOM 68 CD1 PHE A 11 -14.272 -6.161 -10.228 1.00 75.26 C +ATOM 69 CD2 PHE A 11 -15.378 -4.360 -9.148 1.00 75.66 C +ATOM 70 CE1 PHE A 11 -15.485 -6.798 -10.427 1.00 74.45 C +ATOM 71 CE2 PHE A 11 -16.598 -4.981 -9.356 1.00 76.11 C +ATOM 72 CZ PHE A 11 -16.664 -6.206 -9.999 1.00 74.31 C +HETATM 73 N HYP A 12 -11.723 -7.316 -7.888 1.00 77.74 N +HETATM 74 CA HYP A 12 -10.877 -8.406 -7.924 1.00 80.03 C +HETATM 75 C HYP A 12 -9.467 -8.314 -7.974 1.00 85.96 C +HETATM 76 O HYP A 12 -8.724 -9.273 -8.216 1.00 86.16 O +HETATM 77 CB HYP A 12 -11.583 -9.666 -7.686 1.00 78.06 C +HETATM 78 CG HYP A 12 -13.051 -9.240 -7.511 1.00 75.90 C +HETATM 79 CD HYP A 12 -13.058 -7.787 -7.760 1.00 76.88 C +HETATM 80 OD1 HYP A 12 -13.524 -9.457 -6.201 1.00 81.61 O +ATOM 81 N GLY A 13 -8.916 -7.112 -7.774 1.00 88.91 N +ATOM 82 CA GLY A 13 -7.495 -6.867 -7.814 1.00 86.69 C +ATOM 83 C GLY A 13 -6.834 -7.063 -6.466 1.00 87.03 C +ATOM 84 O GLY A 13 -7.498 -7.102 -5.429 1.00 86.66 O +ATOM 85 N PRO A 14 -5.533 -7.181 -6.483 1.00 84.34 N +ATOM 86 CA PRO A 14 -4.786 -7.377 -5.254 1.00 84.08 C +ATOM 87 C PRO A 14 -4.661 -6.078 -4.478 1.00 83.90 C +ATOM 88 O PRO A 14 -4.918 -4.997 -4.987 1.00 81.93 O +ATOM 89 CB PRO A 14 -3.423 -7.848 -5.749 1.00 80.82 C +ATOM 90 CG PRO A 14 -3.266 -7.162 -7.059 1.00 80.00 C +ATOM 91 CD PRO A 14 -4.651 -7.124 -7.654 1.00 80.60 C +HETATM 92 N HYP A 15 -4.243 -6.246 -3.258 1.00 83.28 N +HETATM 93 CA HYP A 15 -3.917 -5.069 -2.482 1.00 88.77 C +HETATM 94 C HYP A 15 -2.872 -4.245 -3.163 1.00 88.08 C +HETATM 95 O HYP A 15 -2.007 -4.820 -3.870 1.00 87.79 O +HETATM 96 CB HYP A 15 -3.379 -5.697 -1.184 1.00 84.85 C +HETATM 97 CG HYP A 15 -4.080 -7.022 -1.100 1.00 80.85 C +HETATM 98 CD HYP A 15 -4.126 -7.472 -2.547 1.00 84.88 C +HETATM 99 OD1 HYP A 15 -5.381 -6.856 -0.611 1.00 84.26 O +ATOM 100 N GLY A 16 -2.953 -2.978 -3.007 1.00 87.21 N +ATOM 101 CA GLY A 16 -1.953 -2.117 -3.562 1.00 86.27 C +ATOM 102 C GLY A 16 -0.604 -2.323 -2.887 1.00 87.30 C +ATOM 103 O GLY A 16 -0.491 -3.035 -1.891 1.00 87.55 O +ATOM 104 N PRO A 17 0.411 -1.690 -3.453 1.00 85.11 N +ATOM 105 CA PRO A 17 1.741 -1.822 -2.880 1.00 85.18 C +ATOM 106 C PRO A 17 1.831 -1.118 -1.536 1.00 85.91 C +ATOM 107 O PRO A 17 1.027 -0.250 -1.217 1.00 83.62 O +ATOM 108 CB PRO A 17 2.644 -1.163 -3.918 1.00 81.70 C +ATOM 109 CG PRO A 17 1.757 -0.204 -4.615 1.00 80.99 C +ATOM 110 CD PRO A 17 0.385 -0.813 -4.614 1.00 82.17 C +HETATM 111 N HYP A 18 2.792 -1.495 -0.757 1.00 81.67 N +HETATM 112 CA HYP A 18 3.061 -0.849 0.486 1.00 91.85 C +HETATM 113 C HYP A 18 3.313 0.628 0.282 1.00 88.08 C +HETATM 114 O HYP A 18 3.858 1.034 -0.770 1.00 86.77 O +HETATM 115 CB HYP A 18 4.309 -1.553 0.981 1.00 86.76 C +HETATM 116 CG HYP A 18 4.255 -2.920 0.333 1.00 84.38 C +HETATM 117 CD HYP A 18 3.674 -2.609 -1.024 1.00 86.38 C +HETATM 118 OD1 HYP A 18 3.365 -3.751 1.045 1.00 86.42 O +ATOM 119 N GLY A 19 2.903 1.406 1.202 1.00 88.22 N +ATOM 120 CA GLY A 19 3.196 2.808 1.167 1.00 87.35 C +ATOM 121 C GLY A 19 4.681 3.067 1.323 1.00 87.52 C +ATOM 122 O GLY A 19 5.461 2.158 1.603 1.00 87.68 O +ATOM 123 N PRO A 20 5.070 4.308 1.139 1.00 82.50 N +ATOM 124 CA PRO A 20 6.477 4.645 1.280 1.00 81.89 C +ATOM 125 C PRO A 20 6.919 4.556 2.727 1.00 81.62 C +ATOM 126 O PRO A 20 6.108 4.583 3.647 1.00 80.37 O +ATOM 127 CB PRO A 20 6.544 6.075 0.759 1.00 77.86 C +ATOM 128 CG PRO A 20 5.176 6.612 0.963 1.00 75.55 C +ATOM 129 CD PRO A 20 4.237 5.462 0.812 1.00 76.93 C +HETATM 130 N HYP A 21 8.210 4.435 2.935 1.00 79.25 N +HETATM 131 CA HYP A 21 8.766 4.444 4.238 1.00 86.48 C +HETATM 132 C HYP A 21 8.414 5.695 5.001 1.00 83.29 C +HETATM 133 O HYP A 21 8.222 6.750 4.369 1.00 86.18 O +HETATM 134 CB HYP A 21 10.244 4.332 4.007 1.00 82.26 C +HETATM 135 CG HYP A 21 10.352 3.614 2.699 1.00 78.72 C +HETATM 136 CD HYP A 21 9.204 4.145 1.909 1.00 82.38 C +HETATM 137 OD1 HYP A 21 10.171 2.220 2.872 1.00 85.77 O +ATOM 138 N GLY A 22 8.206 5.592 6.253 1.00 85.42 N +ATOM 139 CA GLY A 22 7.973 6.736 7.077 1.00 82.45 C +ATOM 140 C GLY A 22 9.183 7.655 7.119 1.00 82.00 C +ATOM 141 O GLY A 22 10.206 7.387 6.493 1.00 81.53 O +ATOM 142 N PRO A 23 9.069 8.734 7.866 1.00 80.24 N +ATOM 143 CA PRO A 23 10.176 9.675 7.947 1.00 81.75 C +ATOM 144 C PRO A 23 11.380 9.052 8.635 1.00 81.24 C +ATOM 145 O PRO A 23 11.262 8.076 9.372 1.00 77.16 O +ATOM 146 CB PRO A 23 9.597 10.838 8.746 1.00 76.29 C +ATOM 147 CG PRO A 23 8.473 10.249 9.506 1.00 73.62 C +ATOM 148 CD PRO A 23 7.941 9.115 8.689 1.00 75.67 C +HETATM 149 N HYP A 24 12.520 9.550 8.498 1.00 83.45 N +HETATM 150 CA HYP A 24 13.715 8.946 8.991 1.00 77.24 C +HETATM 151 C HYP A 24 13.644 8.195 10.226 1.00 81.28 C +HETATM 152 O HYP A 24 14.586 7.503 10.580 1.00 79.72 O +HETATM 153 CB HYP A 24 14.750 10.036 8.909 1.00 79.59 C +HETATM 154 CG HYP A 24 14.147 11.155 8.130 1.00 77.98 C +HETATM 155 CD HYP A 24 12.656 10.876 8.092 1.00 81.77 C +HETATM 156 OD1 HYP A 24 14.586 11.117 6.774 1.00 81.47 O +HETATM 157 OXT HYP A 24 12.648 8.330 10.927 1.00 73.92 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_2.txt b/protein_pdb_2.txt new file mode 100644 index 0000000000000000000000000000000000000000..05b5bec2982e6abc019bf7790a7a0757d4c91486 --- /dev/null +++ b/protein_pdb_2.txt @@ -0,0 +1,174 @@ +ATOM 1 N GLY A 1 20.651 -13.897 29.382 1.00 81.12 N +ATOM 2 CA GLY A 1 21.023 -12.655 28.711 1.00 84.91 C +ATOM 3 C GLY A 1 19.816 -11.792 28.433 1.00 85.52 C +ATOM 4 O GLY A 1 18.677 -12.246 28.564 1.00 81.90 O +ATOM 5 N PRO A 2 20.026 -10.545 28.047 1.00 80.84 N +ATOM 6 CA PRO A 2 18.908 -9.648 27.758 1.00 85.77 C +ATOM 7 C PRO A 2 18.187 -10.055 26.479 1.00 85.64 C +ATOM 8 O PRO A 2 18.754 -10.701 25.607 1.00 82.75 O +ATOM 9 CB PRO A 2 19.567 -8.276 27.606 1.00 81.70 C +ATOM 10 CG PRO A 2 20.942 -8.600 27.145 1.00 78.08 C +ATOM 11 CD PRO A 2 21.315 -9.884 27.848 1.00 79.17 C +HETATM 12 N HYP A 3 17.006 -9.692 26.409 1.00 87.78 N +HETATM 13 CA HYP A 3 16.173 -9.914 25.188 1.00 86.26 C +HETATM 14 C HYP A 3 16.759 -9.201 23.985 1.00 89.29 C +HETATM 15 O HYP A 3 17.368 -8.132 24.087 1.00 87.42 O +HETATM 16 CB HYP A 3 14.848 -9.286 25.600 1.00 87.88 C +HETATM 17 CG HYP A 3 14.813 -9.320 27.096 1.00 85.95 C +HETATM 18 CD HYP A 3 16.305 -9.047 27.470 1.00 88.27 C +HETATM 19 OD1 HYP A 3 14.491 -10.604 27.593 1.00 86.66 O +ATOM 20 N GLY A 4 16.606 -9.840 22.824 1.00 90.93 N +ATOM 21 CA GLY A 4 17.069 -9.234 21.599 1.00 90.47 C +ATOM 22 C GLY A 4 16.187 -8.064 21.205 1.00 90.52 C +ATOM 23 O GLY A 4 15.106 -7.862 21.768 1.00 89.48 O +ATOM 24 N PRO A 5 16.637 -7.276 20.247 1.00 90.53 N +ATOM 25 CA PRO A 5 15.843 -6.136 19.791 1.00 90.96 C +ATOM 26 C PRO A 5 14.613 -6.595 19.024 1.00 90.53 C +ATOM 27 O PRO A 5 14.558 -7.711 18.523 1.00 88.96 O +ATOM 28 CB PRO A 5 16.807 -5.357 18.897 1.00 88.62 C +ATOM 29 CG PRO A 5 17.714 -6.415 18.365 1.00 87.23 C +ATOM 30 CD PRO A 5 17.887 -7.395 19.501 1.00 88.81 C +HETATM 31 N HYP A 6 13.636 -5.727 18.963 1.00 89.45 N +HETATM 32 CA HYP A 6 12.471 -6.015 18.102 1.00 91.49 C +HETATM 33 C HYP A 6 12.847 -6.246 16.693 1.00 89.05 C +HETATM 34 O HYP A 6 13.823 -5.688 16.192 1.00 89.11 O +HETATM 35 CB HYP A 6 11.582 -4.746 18.305 1.00 89.60 C +HETATM 36 CG HYP A 6 11.963 -4.253 19.665 1.00 87.78 C +HETATM 37 CD HYP A 6 13.474 -4.518 19.724 1.00 89.62 C +HETATM 38 OD1 HYP A 6 11.319 -4.987 20.674 1.00 87.62 O +ATOM 39 N GLY A 7 12.103 -7.139 16.002 1.00 92.44 N +ATOM 40 CA GLY A 7 12.359 -7.449 14.613 1.00 91.58 C +ATOM 41 C GLY A 7 12.125 -6.250 13.719 1.00 91.42 C +ATOM 42 O GLY A 7 11.572 -5.228 14.140 1.00 90.36 O +ATOM 43 N PRO A 8 12.535 -6.361 12.461 1.00 90.10 N +ATOM 44 CA PRO A 8 12.351 -5.255 11.527 1.00 90.15 C +ATOM 45 C PRO A 8 10.880 -5.071 11.179 1.00 90.14 C +ATOM 46 O PRO A 8 10.073 -5.978 11.322 1.00 87.97 O +ATOM 47 CB PRO A 8 13.162 -5.684 10.304 1.00 87.90 C +ATOM 48 CG PRO A 8 13.120 -7.166 10.368 1.00 87.14 C +ATOM 49 CD PRO A 8 13.173 -7.506 11.838 1.00 88.65 C +HETATM 50 N HYP A 9 10.524 -3.903 10.723 1.00 90.37 N +HETATM 51 CA HYP A 9 9.186 -3.626 10.231 1.00 91.05 C +HETATM 52 C HYP A 9 8.809 -4.556 9.113 1.00 91.59 C +HETATM 53 O HYP A 9 9.681 -4.977 8.328 1.00 89.71 O +HETATM 54 CB HYP A 9 9.309 -2.162 9.730 1.00 89.88 C +HETATM 55 CG HYP A 9 10.398 -1.588 10.568 1.00 87.80 C +HETATM 56 CD HYP A 9 11.375 -2.767 10.691 1.00 89.92 C +HETATM 57 OD1 HYP A 9 9.942 -1.248 11.866 1.00 86.87 O +ATOM 58 N GLY A 10 7.532 -4.887 9.025 1.00 92.52 N +ATOM 59 CA GLY A 10 7.047 -5.737 7.965 1.00 91.17 C +ATOM 60 C GLY A 10 7.207 -5.070 6.608 1.00 91.32 C +ATOM 61 O GLY A 10 7.539 -3.887 6.513 1.00 90.26 O +ATOM 62 N PRO A 11 6.960 -5.828 5.540 1.00 91.51 N +ATOM 63 CA PRO A 11 7.082 -5.268 4.198 1.00 91.05 C +ATOM 64 C PRO A 11 5.994 -4.241 3.929 1.00 91.12 C +ATOM 65 O PRO A 11 4.958 -4.231 4.576 1.00 89.19 O +ATOM 66 CB PRO A 11 6.937 -6.484 3.293 1.00 89.07 C +ATOM 67 CG PRO A 11 6.105 -7.421 4.092 1.00 89.02 C +ATOM 68 CD PRO A 11 6.541 -7.223 5.518 1.00 90.22 C +HETATM 69 N HYP A 12 6.220 -3.394 2.974 1.00 92.86 N +HETATM 70 CA HYP A 12 5.218 -2.417 2.561 1.00 92.08 C +HETATM 71 C HYP A 12 3.928 -3.084 2.167 1.00 93.37 C +HETATM 72 O HYP A 12 3.941 -4.220 1.656 1.00 91.65 O +HETATM 73 CB HYP A 12 5.904 -1.752 1.320 1.00 90.06 C +HETATM 74 CG HYP A 12 7.370 -1.919 1.583 1.00 88.13 C +HETATM 75 CD HYP A 12 7.436 -3.297 2.243 1.00 91.50 C +HETATM 76 OD1 HYP A 12 7.831 -0.955 2.524 1.00 87.89 O +ATOM 77 N GLY A 13 2.822 -2.411 2.449 1.00 93.61 N +ATOM 78 CA GLY A 13 1.530 -2.928 2.065 1.00 92.66 C +ATOM 79 C GLY A 13 1.391 -2.962 0.557 1.00 93.01 C +ATOM 80 O GLY A 13 2.209 -2.398 -0.174 1.00 92.40 O +ATOM 81 N PRO A 14 0.338 -3.629 0.070 1.00 92.60 N +ATOM 82 CA PRO A 14 0.118 -3.701 -1.373 1.00 92.58 C +ATOM 83 C PRO A 14 -0.260 -2.337 -1.938 1.00 92.81 C +ATOM 84 O PRO A 14 -0.756 -1.477 -1.225 1.00 91.09 O +ATOM 85 CB PRO A 14 -1.020 -4.701 -1.505 1.00 90.94 C +ATOM 86 CG PRO A 14 -1.759 -4.575 -0.224 1.00 90.07 C +ATOM 87 CD PRO A 14 -0.703 -4.327 0.820 1.00 91.12 C +HETATM 88 N HYP A 15 -0.039 -2.129 -3.225 1.00 92.46 N +HETATM 89 CA HYP A 15 -0.461 -0.902 -3.887 1.00 91.37 C +HETATM 90 C HYP A 15 -1.954 -0.691 -3.804 1.00 92.76 C +HETATM 91 O HYP A 15 -2.723 -1.661 -3.734 1.00 90.53 O +HETATM 92 CB HYP A 15 -0.066 -1.198 -5.364 1.00 88.79 C +HETATM 93 CG HYP A 15 1.060 -2.162 -5.249 1.00 87.03 C +HETATM 94 CD HYP A 15 0.658 -3.026 -4.070 1.00 90.38 C +HETATM 95 OD1 HYP A 15 2.275 -1.510 -4.942 1.00 88.12 O +ATOM 96 N GLY A 16 -2.355 0.541 -3.697 1.00 92.11 N +ATOM 97 CA GLY A 16 -3.758 0.843 -3.663 1.00 90.56 C +ATOM 98 C GLY A 16 -4.431 0.438 -4.959 1.00 91.54 C +ATOM 99 O GLY A 16 -3.764 0.209 -5.976 1.00 91.61 O +ATOM 100 N PRO A 17 -5.761 0.346 -4.946 1.00 90.60 N +ATOM 101 CA PRO A 17 -6.474 -0.020 -6.161 1.00 90.99 C +ATOM 102 C PRO A 17 -6.433 1.107 -7.181 1.00 91.14 C +ATOM 103 O PRO A 17 -6.247 2.265 -6.829 1.00 89.20 O +ATOM 104 CB PRO A 17 -7.897 -0.283 -5.666 1.00 89.39 C +ATOM 105 CG PRO A 17 -8.019 0.589 -4.473 1.00 88.25 C +ATOM 106 CD PRO A 17 -6.665 0.557 -3.811 1.00 89.58 C +HETATM 107 N HYP A 18 -6.607 0.775 -8.450 1.00 90.05 N +HETATM 108 CA HYP A 18 -6.704 1.793 -9.486 1.00 90.78 C +HETATM 109 C HYP A 18 -7.865 2.731 -9.241 1.00 89.75 C +HETATM 110 O HYP A 18 -8.869 2.351 -8.624 1.00 91.27 O +HETATM 111 CB HYP A 18 -6.966 0.938 -10.741 1.00 89.35 C +HETATM 112 CG HYP A 18 -6.349 -0.375 -10.428 1.00 85.91 C +HETATM 113 CD HYP A 18 -6.643 -0.556 -8.964 1.00 90.83 C +HETATM 114 OD1 HYP A 18 -4.945 -0.366 -10.615 1.00 89.01 O +ATOM 115 N GLY A 19 -7.726 3.964 -9.643 1.00 90.83 N +ATOM 116 CA GLY A 19 -8.799 4.909 -9.522 1.00 89.28 C +ATOM 117 C GLY A 19 -9.993 4.480 -10.361 1.00 90.12 C +ATOM 118 O GLY A 19 -9.875 3.620 -11.239 1.00 90.33 O +ATOM 119 N PRO A 20 -11.145 5.088 -10.111 1.00 88.64 N +ATOM 120 CA PRO A 20 -12.333 4.732 -10.874 1.00 89.06 C +ATOM 121 C PRO A 20 -12.234 5.212 -12.313 1.00 89.01 C +ATOM 122 O PRO A 20 -11.504 6.156 -12.612 1.00 87.46 O +ATOM 123 CB PRO A 20 -13.462 5.433 -10.118 1.00 86.61 C +ATOM 124 CG PRO A 20 -12.793 6.599 -9.485 1.00 85.12 C +ATOM 125 CD PRO A 20 -11.416 6.109 -9.105 1.00 87.00 C +HETATM 126 N HYP A 21 -12.955 4.579 -13.218 1.00 92.09 N +HETATM 127 CA HYP A 21 -13.020 5.027 -14.600 1.00 91.49 C +HETATM 128 C HYP A 21 -13.558 6.440 -14.719 1.00 91.57 C +HETATM 129 O HYP A 21 -14.383 6.854 -13.891 1.00 90.95 O +HETATM 130 CB HYP A 21 -14.012 4.039 -15.235 1.00 91.46 C +HETATM 131 CG HYP A 21 -13.929 2.803 -14.390 1.00 90.88 C +HETATM 132 CD HYP A 21 -13.709 3.364 -13.009 1.00 92.11 C +HETATM 133 OD1 HYP A 21 -12.801 2.024 -14.746 1.00 89.25 O +ATOM 134 N GLY A 22 -13.111 7.174 -15.678 1.00 91.21 N +ATOM 135 CA GLY A 22 -13.624 8.490 -15.924 1.00 90.08 C +ATOM 136 C GLY A 22 -15.087 8.430 -16.341 1.00 90.12 C +ATOM 137 O GLY A 22 -15.600 7.366 -16.700 1.00 89.35 O +ATOM 138 N PRO A 23 -15.762 9.567 -16.328 1.00 85.70 N +ATOM 139 CA PRO A 23 -17.168 9.585 -16.725 1.00 85.39 C +ATOM 140 C PRO A 23 -17.307 9.390 -18.223 1.00 84.84 C +ATOM 141 O PRO A 23 -16.378 9.639 -18.987 1.00 82.30 O +ATOM 142 CB PRO A 23 -17.635 10.973 -16.286 1.00 81.42 C +ATOM 143 CG PRO A 23 -16.398 11.797 -16.348 1.00 79.20 C +ATOM 144 CD PRO A 23 -15.280 10.875 -15.911 1.00 81.43 C +HETATM 145 N HYP A 24 -18.481 8.960 -18.696 1.00 90.59 N +HETATM 146 CA HYP A 24 -18.732 8.809 -20.088 1.00 90.57 C +HETATM 147 C HYP A 24 -18.602 10.126 -20.836 1.00 92.39 C +HETATM 148 O HYP A 24 -18.875 11.188 -20.284 1.00 89.82 O +HETATM 149 CB HYP A 24 -20.189 8.340 -20.131 1.00 90.99 C +HETATM 150 CG HYP A 24 -20.420 7.684 -18.809 1.00 89.75 C +HETATM 151 CD HYP A 24 -19.554 8.509 -17.861 1.00 90.79 C +HETATM 152 OD1 HYP A 24 -19.922 6.349 -18.807 1.00 87.64 O +ATOM 153 N GLY A 25 -18.173 10.074 -22.073 1.00 84.54 N +ATOM 154 CA GLY A 25 -18.089 11.262 -22.890 1.00 82.19 C +ATOM 155 C GLY A 25 -19.480 11.824 -23.154 1.00 81.02 C +ATOM 156 O GLY A 25 -20.489 11.133 -22.975 1.00 78.89 O +ATOM 157 N PRO A 26 -19.550 13.068 -23.613 1.00 83.34 N +ATOM 158 CA PRO A 26 -20.848 13.673 -23.890 1.00 84.37 C +ATOM 159 C PRO A 26 -21.457 13.096 -25.152 1.00 83.84 C +ATOM 160 O PRO A 26 -20.762 12.550 -26.007 1.00 79.14 O +ATOM 161 CB PRO A 26 -20.518 15.153 -24.050 1.00 79.37 C +ATOM 162 CG PRO A 26 -19.127 15.135 -24.572 1.00 75.95 C +ATOM 163 CD PRO A 26 -18.449 13.981 -23.879 1.00 77.35 C +HETATM 164 N HYP A 27 -22.752 13.267 -25.325 1.00 86.95 N +HETATM 165 CA HYP A 27 -23.343 12.833 -26.581 1.00 85.04 C +HETATM 166 C HYP A 27 -22.919 13.776 -27.737 1.00 87.16 C +HETATM 167 O HYP A 27 -22.294 14.774 -27.420 1.00 83.47 O +HETATM 168 CB HYP A 27 -24.878 13.099 -26.385 1.00 87.63 C +HETATM 169 CG HYP A 27 -25.090 13.158 -24.914 1.00 85.46 C +HETATM 170 CD HYP A 27 -23.763 13.697 -24.367 1.00 85.84 C +HETATM 171 OD1 HYP A 27 -25.282 11.840 -24.449 1.00 80.28 O +HETATM 172 OXT HYP A 27 -23.257 13.518 -28.867 1.00 77.23 O +TER 173 HYP A 27 +END diff --git a/protein_pdb_20.txt b/protein_pdb_20.txt new file mode 100644 index 0000000000000000000000000000000000000000..866485a41095f890710f5c165db797e2bd5220a3 --- /dev/null +++ b/protein_pdb_20.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 20.246 -27.043 -11.135 1.00 83.14 N +ATOM 2 CA GLY A 1 20.740 -25.732 -10.723 1.00 86.43 C +ATOM 3 C GLY A 1 19.893 -25.150 -9.614 1.00 87.43 C +ATOM 4 O GLY A 1 18.840 -25.692 -9.279 1.00 83.71 O +ATOM 5 N PRO A 2 20.302 -24.034 -9.042 1.00 83.54 N +ATOM 6 CA PRO A 2 19.537 -23.405 -7.961 1.00 87.68 C +ATOM 7 C PRO A 2 18.241 -22.787 -8.472 1.00 88.03 C +ATOM 8 O PRO A 2 18.121 -22.448 -9.642 1.00 84.71 O +ATOM 9 CB PRO A 2 20.496 -22.353 -7.414 1.00 84.42 C +ATOM 10 CG PRO A 2 21.323 -21.989 -8.595 1.00 81.32 C +ATOM 11 CD PRO A 2 21.520 -23.288 -9.339 1.00 81.47 C +HETATM 12 N HYP A 3 17.317 -22.655 -7.635 1.00 89.97 N +HETATM 13 CA HYP A 3 16.055 -21.973 -7.917 1.00 89.16 C +HETATM 14 C HYP A 3 16.248 -20.525 -8.326 1.00 92.08 C +HETATM 15 O HYP A 3 17.195 -19.867 -7.904 1.00 91.30 O +HETATM 16 CB HYP A 3 15.305 -22.095 -6.619 1.00 89.43 C +HETATM 17 CG HYP A 3 15.884 -23.280 -5.939 1.00 88.27 C +HETATM 18 CD HYP A 3 17.361 -23.177 -6.317 1.00 90.61 C +HETATM 19 OD1 HYP A 3 15.383 -24.475 -6.443 1.00 89.00 O +ATOM 20 N GLY A 4 15.327 -20.016 -9.150 1.00 94.20 N +ATOM 21 CA GLY A 4 15.372 -18.640 -9.566 1.00 93.35 C +ATOM 22 C GLY A 4 14.980 -17.724 -8.410 1.00 93.41 C +ATOM 23 O GLY A 4 14.521 -18.186 -7.361 1.00 92.02 O +ATOM 24 N PRO A 5 15.136 -16.414 -8.591 1.00 93.64 N +ATOM 25 CA PRO A 5 14.795 -15.465 -7.530 1.00 93.16 C +ATOM 26 C PRO A 5 13.289 -15.336 -7.347 1.00 93.24 C +ATOM 27 O PRO A 5 12.511 -15.614 -8.255 1.00 91.78 O +ATOM 28 CB PRO A 5 15.425 -14.165 -8.010 1.00 91.39 C +ATOM 29 CG PRO A 5 15.367 -14.292 -9.493 1.00 90.12 C +ATOM 30 CD PRO A 5 15.674 -15.752 -9.767 1.00 91.42 C +HETATM 31 N HYP A 6 12.872 -14.931 -6.185 1.00 93.18 N +HETATM 32 CA HYP A 6 11.463 -14.595 -5.929 1.00 93.28 C +HETATM 33 C HYP A 6 10.953 -13.487 -6.813 1.00 92.57 C +HETATM 34 O HYP A 6 11.731 -12.626 -7.278 1.00 91.48 O +HETATM 35 CB HYP A 6 11.490 -14.163 -4.452 1.00 93.09 C +HETATM 36 CG HYP A 6 12.650 -14.895 -3.869 1.00 90.81 C +HETATM 37 CD HYP A 6 13.652 -14.852 -5.005 1.00 92.77 C +HETATM 38 OD1 HYP A 6 12.329 -16.216 -3.569 1.00 89.51 O +ATOM 39 N GLY A 7 9.636 -13.449 -7.055 1.00 94.82 N +ATOM 40 CA GLY A 7 9.016 -12.407 -7.830 1.00 94.15 C +ATOM 41 C GLY A 7 9.028 -11.092 -7.071 1.00 94.30 C +ATOM 42 O GLY A 7 9.394 -11.034 -5.895 1.00 93.48 O +ATOM 43 N PRO A 8 8.616 -10.015 -7.722 1.00 93.44 N +ATOM 44 CA PRO A 8 8.604 -8.705 -7.081 1.00 93.25 C +ATOM 45 C PRO A 8 7.499 -8.598 -6.037 1.00 93.42 C +ATOM 46 O PRO A 8 6.521 -9.334 -6.069 1.00 91.84 O +ATOM 47 CB PRO A 8 8.376 -7.748 -8.238 1.00 91.38 C +ATOM 48 CG PRO A 8 7.580 -8.568 -9.203 1.00 90.44 C +ATOM 49 CD PRO A 8 8.178 -9.951 -9.104 1.00 91.61 C +HETATM 50 N HYP A 9 7.624 -7.687 -5.121 1.00 93.97 N +HETATM 51 CA HYP A 9 6.585 -7.378 -4.147 1.00 93.27 C +HETATM 52 C HYP A 9 5.321 -6.913 -4.804 1.00 94.68 C +HETATM 53 O HYP A 9 5.345 -6.290 -5.874 1.00 93.16 O +HETATM 54 CB HYP A 9 7.216 -6.188 -3.328 1.00 92.78 C +HETATM 55 CG HYP A 9 8.667 -6.404 -3.475 1.00 92.05 C +HETATM 56 CD HYP A 9 8.794 -6.924 -4.907 1.00 93.28 C +HETATM 57 OD1 HYP A 9 9.115 -7.418 -2.588 1.00 88.89 O +ATOM 58 N GLY A 10 4.193 -7.170 -4.132 1.00 94.91 N +ATOM 59 CA GLY A 10 2.908 -6.732 -4.617 1.00 94.05 C +ATOM 60 C GLY A 10 2.799 -5.220 -4.570 1.00 94.24 C +ATOM 61 O GLY A 10 3.651 -4.537 -4.001 1.00 93.68 O +ATOM 62 N PRO A 11 1.731 -4.672 -5.152 1.00 93.59 N +ATOM 63 CA PRO A 11 1.552 -3.222 -5.157 1.00 93.07 C +ATOM 64 C PRO A 11 1.161 -2.682 -3.780 1.00 93.31 C +ATOM 65 O PRO A 11 0.660 -3.426 -2.931 1.00 91.96 O +ATOM 66 CB PRO A 11 0.434 -3.014 -6.174 1.00 91.39 C +ATOM 67 CG PRO A 11 -0.381 -4.257 -6.032 1.00 90.99 C +ATOM 68 CD PRO A 11 0.645 -5.355 -5.845 1.00 92.22 C +ATOM 69 N PRO A 12 1.368 -1.380 -3.550 1.00 91.96 N +ATOM 70 CA PRO A 12 0.957 -0.786 -2.280 1.00 91.57 C +ATOM 71 C PRO A 12 -0.555 -0.865 -2.122 1.00 91.69 C +ATOM 72 O PRO A 12 -1.291 -0.954 -3.106 1.00 89.70 O +ATOM 73 CB PRO A 12 1.418 0.674 -2.385 1.00 89.59 C +ATOM 74 CG PRO A 12 2.494 0.658 -3.412 1.00 88.41 C +ATOM 75 CD PRO A 12 2.058 -0.389 -4.396 1.00 89.36 C +ATOM 76 N GLY A 13 -0.989 -0.836 -0.876 1.00 93.47 N +ATOM 77 CA GLY A 13 -2.416 -0.837 -0.607 1.00 92.77 C +ATOM 78 C GLY A 13 -3.033 0.499 -0.980 1.00 93.49 C +ATOM 79 O GLY A 13 -2.321 1.455 -1.295 1.00 93.70 O +ATOM 80 N PRO A 14 -4.363 0.594 -0.941 1.00 93.41 N +ATOM 81 CA PRO A 14 -5.038 1.838 -1.286 1.00 93.48 C +ATOM 82 C PRO A 14 -4.844 2.901 -0.214 1.00 93.81 C +ATOM 83 O PRO A 14 -4.541 2.591 0.933 1.00 92.56 O +ATOM 84 CB PRO A 14 -6.503 1.428 -1.414 1.00 92.45 C +ATOM 85 CG PRO A 14 -6.619 0.281 -0.470 1.00 91.91 C +ATOM 86 CD PRO A 14 -5.324 -0.474 -0.628 1.00 92.83 C +HETATM 87 N HYP A 15 -5.035 4.189 -0.543 1.00 93.46 N +HETATM 88 CA HYP A 15 -5.003 5.255 0.389 1.00 93.38 C +HETATM 89 C HYP A 15 -6.056 5.163 1.489 1.00 91.68 C +HETATM 90 O HYP A 15 -7.116 4.569 1.268 1.00 91.30 O +HETATM 91 CB HYP A 15 -5.253 6.483 -0.480 1.00 91.24 C +HETATM 92 CG HYP A 15 -4.738 6.067 -1.818 1.00 91.51 C +HETATM 93 CD HYP A 15 -5.142 4.622 -1.877 1.00 93.53 C +HETATM 94 OD1 HYP A 15 -3.344 6.153 -1.890 1.00 91.63 O +ATOM 95 N GLY A 16 -5.751 5.644 2.642 1.00 93.51 N +ATOM 96 CA GLY A 16 -6.689 5.630 3.728 1.00 92.25 C +ATOM 97 C GLY A 16 -7.849 6.580 3.455 1.00 92.93 C +ATOM 98 O GLY A 16 -7.811 7.356 2.496 1.00 92.83 O +ATOM 99 N PRO A 17 -8.875 6.536 4.297 1.00 91.20 N +ATOM 100 CA PRO A 17 -10.037 7.394 4.103 1.00 91.08 C +ATOM 101 C PRO A 17 -9.738 8.845 4.437 1.00 91.02 C +ATOM 102 O PRO A 17 -8.836 9.145 5.208 1.00 89.45 O +ATOM 103 CB PRO A 17 -11.074 6.797 5.051 1.00 89.22 C +ATOM 104 CG PRO A 17 -10.240 6.235 6.155 1.00 87.85 C +ATOM 105 CD PRO A 17 -9.033 5.653 5.456 1.00 89.46 C +HETATM 106 N HYP A 18 -10.497 9.778 3.897 1.00 94.19 N +HETATM 107 CA HYP A 18 -10.408 11.177 4.222 1.00 93.68 C +HETATM 108 C HYP A 18 -10.794 11.463 5.682 1.00 93.55 C +HETATM 109 O HYP A 18 -11.571 10.700 6.294 1.00 92.33 O +HETATM 110 CB HYP A 18 -11.488 11.797 3.318 1.00 93.73 C +HETATM 111 CG HYP A 18 -11.575 10.878 2.169 1.00 93.34 C +HETATM 112 CD HYP A 18 -11.381 9.529 2.817 1.00 94.14 C +HETATM 113 OD1 HYP A 18 -10.538 11.105 1.252 1.00 91.04 O +ATOM 114 N GLY A 19 -10.267 12.508 6.222 1.00 92.90 N +ATOM 115 CA GLY A 19 -10.601 12.899 7.563 1.00 91.79 C +ATOM 116 C GLY A 19 -12.036 13.395 7.628 1.00 91.91 C +ATOM 117 O GLY A 19 -12.703 13.549 6.605 1.00 91.19 O +ATOM 118 N PRO A 20 -12.523 13.678 8.839 1.00 90.81 N +ATOM 119 CA PRO A 20 -13.902 14.136 8.996 1.00 90.45 C +ATOM 120 C PRO A 20 -14.089 15.560 8.493 1.00 90.11 C +ATOM 121 O PRO A 20 -13.146 16.340 8.434 1.00 87.66 O +ATOM 122 CB PRO A 20 -14.129 14.023 10.507 1.00 88.19 C +ATOM 123 CG PRO A 20 -12.769 14.235 11.071 1.00 86.69 C +ATOM 124 CD PRO A 20 -11.837 13.527 10.114 1.00 88.63 C +HETATM 125 N HYP A 21 -15.311 15.961 8.163 1.00 92.86 N +HETATM 126 CA HYP A 21 -15.627 17.278 7.740 1.00 92.28 C +HETATM 127 C HYP A 21 -15.453 18.325 8.839 1.00 93.46 C +HETATM 128 O HYP A 21 -15.589 17.977 10.015 1.00 91.22 O +HETATM 129 CB HYP A 21 -17.166 17.198 7.444 1.00 92.32 C +HETATM 130 CG HYP A 21 -17.397 15.788 7.117 1.00 91.50 C +HETATM 131 CD HYP A 21 -16.424 15.070 8.031 1.00 92.02 C +HETATM 132 OD1 HYP A 21 -17.034 15.539 5.780 1.00 87.63 O +ATOM 133 N GLY A 22 -15.135 19.531 8.490 1.00 88.11 N +ATOM 134 CA GLY A 22 -15.022 20.591 9.445 1.00 86.86 C +ATOM 135 C GLY A 22 -16.398 20.953 9.990 1.00 86.44 C +ATOM 136 O GLY A 22 -17.421 20.473 9.495 1.00 84.59 O +ATOM 137 N PRO A 23 -16.460 21.854 10.984 1.00 84.31 N +ATOM 138 CA PRO A 23 -17.740 22.234 11.565 1.00 84.86 C +ATOM 139 C PRO A 23 -18.543 23.099 10.614 1.00 84.43 C +ATOM 140 O PRO A 23 -17.990 23.781 9.751 1.00 79.88 O +ATOM 141 CB PRO A 23 -17.337 22.990 12.829 1.00 79.76 C +ATOM 142 CG PRO A 23 -16.015 23.568 12.475 1.00 75.39 C +ATOM 143 CD PRO A 23 -15.339 22.504 11.646 1.00 77.27 C +HETATM 144 N HYP A 24 -19.883 23.139 10.781 1.00 86.87 N +HETATM 145 CA HYP A 24 -20.652 24.023 9.918 1.00 86.12 C +HETATM 146 C HYP A 24 -20.456 25.467 10.429 1.00 87.39 C +HETATM 147 O HYP A 24 -20.632 26.352 9.682 1.00 85.21 O +HETATM 148 CB HYP A 24 -22.137 23.669 10.295 1.00 88.81 C +HETATM 149 CG HYP A 24 -22.107 22.335 10.917 1.00 87.36 C +HETATM 150 CD HYP A 24 -20.730 22.251 11.559 1.00 86.26 C +HETATM 151 OD1 HYP A 24 -22.165 21.368 9.903 1.00 81.65 O +HETATM 152 OXT HYP A 24 -20.087 25.614 11.597 1.00 79.51 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_200.txt b/protein_pdb_200.txt new file mode 100644 index 0000000000000000000000000000000000000000..8b8e4e8380af6a4cd8cedb6b3e1bd03e5d72916b --- /dev/null +++ b/protein_pdb_200.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -5.361 13.756 -4.875 1.00 87.04 N +ATOM 2 CA GLY A 1 -6.190 12.613 -5.193 1.00 87.01 C +ATOM 3 C GLY A 1 -6.467 11.788 -3.969 1.00 88.20 C +ATOM 4 O GLY A 1 -6.013 12.109 -2.876 1.00 86.04 O +ATOM 5 N PRO A 2 -7.198 10.634 -4.102 1.00 86.94 N +ATOM 6 CA PRO A 2 -7.543 9.787 -2.973 1.00 87.45 C +ATOM 7 C PRO A 2 -6.354 8.994 -2.464 1.00 87.73 C +ATOM 8 O PRO A 2 -5.362 8.831 -3.156 1.00 85.78 O +ATOM 9 CB PRO A 2 -8.619 8.868 -3.539 1.00 84.03 C +ATOM 10 CG PRO A 2 -8.286 8.785 -4.979 1.00 79.30 C +ATOM 11 CD PRO A 2 -7.769 10.148 -5.349 1.00 80.07 C +HETATM 12 N HYP A 3 -6.473 8.519 -1.259 1.00 87.85 N +HETATM 13 CA HYP A 3 -5.455 7.638 -0.689 1.00 86.48 C +HETATM 14 C HYP A 3 -5.283 6.372 -1.503 1.00 90.08 C +HETATM 15 O HYP A 3 -6.269 5.898 -2.140 1.00 91.57 O +HETATM 16 CB HYP A 3 -6.032 7.310 0.718 1.00 88.00 C +HETATM 17 CG HYP A 3 -6.896 8.528 1.041 1.00 84.64 C +HETATM 18 CD HYP A 3 -7.518 8.874 -0.329 1.00 86.89 C +HETATM 19 OD1 HYP A 3 -6.072 9.577 1.473 1.00 87.88 O +ATOM 20 N GLY A 4 -4.090 5.883 -1.556 1.00 89.71 N +ATOM 21 CA GLY A 4 -3.823 4.660 -2.258 1.00 88.57 C +ATOM 22 C GLY A 4 -4.436 3.471 -1.545 1.00 89.00 C +ATOM 23 O GLY A 4 -4.928 3.589 -0.424 1.00 89.89 O +ATOM 24 N PRO A 5 -4.394 2.311 -2.185 1.00 90.44 N +ATOM 25 CA PRO A 5 -4.959 1.118 -1.585 1.00 89.39 C +ATOM 26 C PRO A 5 -4.102 0.595 -0.443 1.00 89.20 C +ATOM 27 O PRO A 5 -2.936 0.944 -0.327 1.00 88.97 O +ATOM 28 CB PRO A 5 -4.999 0.131 -2.748 1.00 87.49 C +ATOM 29 CG PRO A 5 -3.855 0.553 -3.605 1.00 85.45 C +ATOM 30 CD PRO A 5 -3.823 2.049 -3.500 1.00 87.44 C +HETATM 31 N HYP A 6 -4.721 -0.237 0.392 1.00 90.06 N +HETATM 32 CA HYP A 6 -3.976 -0.889 1.442 1.00 92.55 C +HETATM 33 C HYP A 6 -2.841 -1.738 0.892 1.00 91.45 C +HETATM 34 O HYP A 6 -2.956 -2.291 -0.237 1.00 91.71 O +HETATM 35 CB HYP A 6 -5.060 -1.771 2.128 1.00 88.03 C +HETATM 36 CG HYP A 6 -6.371 -1.074 1.831 1.00 88.03 C +HETATM 37 CD HYP A 6 -6.155 -0.540 0.413 1.00 89.95 C +HETATM 38 OD1 HYP A 6 -6.531 0.010 2.715 1.00 89.11 O +ATOM 39 N GLY A 7 -1.763 -1.817 1.596 1.00 90.53 N +ATOM 40 CA GLY A 7 -0.647 -2.625 1.187 1.00 89.45 C +ATOM 41 C GLY A 7 -0.988 -4.098 1.235 1.00 89.54 C +ATOM 42 O GLY A 7 -2.036 -4.502 1.738 1.00 89.86 O +ATOM 43 N PRO A 8 -0.087 -4.911 0.708 1.00 91.80 N +ATOM 44 CA PRO A 8 -0.330 -6.346 0.700 1.00 91.35 C +ATOM 45 C PRO A 8 -0.211 -6.954 2.082 1.00 91.62 C +ATOM 46 O PRO A 8 0.436 -6.406 2.968 1.00 90.09 O +ATOM 47 CB PRO A 8 0.735 -6.882 -0.250 1.00 88.41 C +ATOM 48 CG PRO A 8 1.820 -5.882 -0.172 1.00 86.36 C +ATOM 49 CD PRO A 8 1.156 -4.554 0.052 1.00 88.37 C +HETATM 50 N HYP A 9 -0.836 -8.133 2.248 1.00 88.39 N +HETATM 51 CA HYP A 9 -0.781 -8.825 3.484 1.00 90.35 C +HETATM 52 C HYP A 9 0.629 -9.339 3.787 1.00 89.68 C +HETATM 53 O HYP A 9 1.366 -9.730 2.862 1.00 90.85 O +HETATM 54 CB HYP A 9 -1.700 -10.075 3.264 1.00 85.88 C +HETATM 55 CG HYP A 9 -2.604 -9.679 2.165 1.00 84.59 C +HETATM 56 CD HYP A 9 -1.778 -8.764 1.308 1.00 88.12 C +HETATM 57 OD1 HYP A 9 -3.684 -8.951 2.707 1.00 86.03 O +ATOM 58 N GLY A 10 1.068 -9.322 5.002 1.00 90.00 N +ATOM 59 CA GLY A 10 2.314 -9.929 5.409 1.00 87.59 C +ATOM 60 C GLY A 10 2.126 -11.425 5.607 1.00 87.77 C +ATOM 61 O GLY A 10 1.070 -11.983 5.315 1.00 85.85 O +ATOM 62 N CYS A 11 3.169 -12.074 6.115 1.00 91.07 N +ATOM 63 CA CYS A 11 3.081 -13.511 6.379 1.00 92.96 C +ATOM 64 C CYS A 11 1.908 -13.825 7.297 1.00 93.61 C +ATOM 65 O CYS A 11 1.187 -14.791 7.086 1.00 90.96 O +ATOM 66 CB CYS A 11 4.372 -14.011 7.007 1.00 90.78 C +ATOM 67 SG CYS A 11 5.818 -13.664 6.013 1.00 84.48 S +ATOM 68 N ARG A 12 1.769 -12.997 8.312 1.00 89.48 N +ATOM 69 CA ARG A 12 0.668 -13.111 9.269 1.00 91.53 C +ATOM 70 C ARG A 12 -0.074 -11.795 9.418 1.00 92.19 C +ATOM 71 O ARG A 12 -1.190 -11.782 9.932 1.00 88.55 O +ATOM 72 CB ARG A 12 1.193 -13.532 10.641 1.00 88.20 C +ATOM 73 CG ARG A 12 1.769 -14.923 10.672 1.00 83.15 C +ATOM 74 CD ARG A 12 2.233 -15.311 12.059 1.00 79.25 C +ATOM 75 NE ARG A 12 1.166 -15.327 13.035 1.00 76.17 N +ATOM 76 CZ ARG A 12 0.218 -16.264 13.129 1.00 72.67 C +ATOM 77 NH1 ARG A 12 0.196 -17.281 12.285 1.00 70.50 N +ATOM 78 NH2 ARG A 12 -0.700 -16.181 14.063 1.00 67.44 N +ATOM 79 N GLY A 13 0.560 -10.730 9.023 1.00 93.91 N +ATOM 80 CA GLY A 13 0.020 -9.407 9.254 1.00 93.21 C +ATOM 81 C GLY A 13 -1.099 -9.005 8.327 1.00 93.73 C +ATOM 82 O GLY A 13 -1.312 -9.616 7.272 1.00 93.23 O +ATOM 83 N PRO A 14 -1.815 -7.975 8.723 1.00 93.10 N +ATOM 84 CA PRO A 14 -2.903 -7.444 7.914 1.00 92.76 C +ATOM 85 C PRO A 14 -2.361 -6.614 6.761 1.00 92.81 C +ATOM 86 O PRO A 14 -1.159 -6.372 6.657 1.00 91.14 O +ATOM 87 CB PRO A 14 -3.669 -6.571 8.901 1.00 90.79 C +ATOM 88 CG PRO A 14 -2.608 -6.068 9.820 1.00 89.33 C +ATOM 89 CD PRO A 14 -1.647 -7.212 9.966 1.00 90.30 C +HETATM 90 N HYP A 15 -3.291 -6.181 5.912 1.00 91.77 N +HETATM 91 CA HYP A 15 -2.907 -5.289 4.865 1.00 90.87 C +HETATM 92 C HYP A 15 -2.230 -4.069 5.384 1.00 92.28 C +HETATM 93 O HYP A 15 -2.535 -3.632 6.532 1.00 92.32 O +HETATM 94 CB HYP A 15 -4.273 -4.958 4.213 1.00 88.84 C +HETATM 95 CG HYP A 15 -5.155 -6.145 4.526 1.00 87.46 C +HETATM 96 CD HYP A 15 -4.696 -6.546 5.912 1.00 90.56 C +HETATM 97 OD1 HYP A 15 -4.912 -7.156 3.608 1.00 89.66 O +ATOM 98 N GLY A 16 -1.332 -3.536 4.634 1.00 94.04 N +ATOM 99 CA GLY A 16 -0.667 -2.328 5.022 1.00 93.27 C +ATOM 100 C GLY A 16 -1.619 -1.151 5.012 1.00 93.81 C +ATOM 101 O GLY A 16 -2.769 -1.267 4.580 1.00 93.70 O +ATOM 102 N PRO A 17 -1.134 -0.010 5.487 1.00 90.23 N +ATOM 103 CA PRO A 17 -1.975 1.180 5.525 1.00 89.45 C +ATOM 104 C PRO A 17 -2.238 1.722 4.128 1.00 90.02 C +ATOM 105 O PRO A 17 -1.529 1.398 3.182 1.00 88.65 O +ATOM 106 CB PRO A 17 -1.166 2.158 6.362 1.00 87.77 C +ATOM 107 CG PRO A 17 0.240 1.735 6.146 1.00 85.92 C +ATOM 108 CD PRO A 17 0.200 0.243 6.015 1.00 87.67 C +HETATM 109 N HYP A 18 -3.286 2.542 4.000 1.00 90.17 N +HETATM 110 CA HYP A 18 -3.552 3.191 2.779 1.00 89.85 C +HETATM 111 C HYP A 18 -2.396 4.030 2.300 1.00 91.16 C +HETATM 112 O HYP A 18 -1.640 4.574 3.147 1.00 90.74 O +HETATM 113 CB HYP A 18 -4.776 4.085 3.117 1.00 88.25 C +HETATM 114 CG HYP A 18 -5.463 3.342 4.222 1.00 86.96 C +HETATM 115 CD HYP A 18 -4.300 2.796 5.015 1.00 90.23 C +HETATM 116 OD1 HYP A 18 -6.234 2.289 3.689 1.00 89.18 O +ATOM 117 N GLY A 19 -2.211 4.093 1.036 1.00 87.13 N +ATOM 118 CA GLY A 19 -1.171 4.900 0.468 1.00 85.38 C +ATOM 119 C GLY A 19 -1.427 6.366 0.716 1.00 85.60 C +ATOM 120 O GLY A 19 -2.488 6.755 1.200 1.00 86.70 O +ATOM 121 N PRO A 20 -0.445 7.193 0.379 1.00 87.53 N +ATOM 122 CA PRO A 20 -0.588 8.618 0.597 1.00 86.96 C +ATOM 123 C PRO A 20 -1.593 9.235 -0.355 1.00 86.91 C +ATOM 124 O PRO A 20 -1.902 8.678 -1.401 1.00 87.40 O +ATOM 125 CB PRO A 20 0.815 9.155 0.339 1.00 84.59 C +ATOM 126 CG PRO A 20 1.391 8.184 -0.626 1.00 81.13 C +ATOM 127 CD PRO A 20 0.840 6.855 -0.222 1.00 83.18 C +HETATM 128 N HYP A 21 -2.104 10.374 0.034 1.00 88.35 N +HETATM 129 CA HYP A 21 -2.972 11.124 -0.828 1.00 88.26 C +HETATM 130 C HYP A 21 -2.321 11.512 -2.132 1.00 89.17 C +HETATM 131 O HYP A 21 -1.097 11.730 -2.150 1.00 91.96 O +HETATM 132 CB HYP A 21 -3.290 12.392 0.017 1.00 85.99 C +HETATM 133 CG HYP A 21 -3.082 11.966 1.455 1.00 84.17 C +HETATM 134 CD HYP A 21 -1.916 11.008 1.359 1.00 88.78 C +HETATM 135 OD1 HYP A 21 -4.226 11.242 1.904 1.00 84.97 O +ATOM 136 N GLY A 22 -3.019 11.500 -3.190 1.00 88.40 N +ATOM 137 CA GLY A 22 -2.507 11.955 -4.443 1.00 85.59 C +ATOM 138 C GLY A 22 -2.293 13.458 -4.407 1.00 85.62 C +ATOM 139 O GLY A 22 -2.589 14.116 -3.411 1.00 85.57 O +ATOM 140 N PRO A 23 -1.799 14.035 -5.494 1.00 89.71 N +ATOM 141 CA PRO A 23 -1.573 15.475 -5.539 1.00 89.59 C +ATOM 142 C PRO A 23 -2.872 16.236 -5.385 1.00 88.72 C +ATOM 143 O PRO A 23 -3.943 15.735 -5.714 1.00 86.14 O +ATOM 144 CB PRO A 23 -0.979 15.713 -6.921 1.00 86.42 C +ATOM 145 CG PRO A 23 -0.493 14.390 -7.357 1.00 83.41 C +ATOM 146 CD PRO A 23 -1.399 13.390 -6.726 1.00 85.28 C +HETATM 147 N HYP A 24 -2.797 17.434 -4.902 1.00 89.86 N +HETATM 148 CA HYP A 24 -4.057 18.196 -4.862 1.00 83.13 C +HETATM 149 C HYP A 24 -4.626 18.207 -6.253 1.00 86.19 C +HETATM 150 O HYP A 24 -4.763 19.229 -6.906 1.00 85.93 O +HETATM 151 CB HYP A 24 -3.566 19.608 -4.485 1.00 85.13 C +HETATM 152 CG HYP A 24 -2.228 19.451 -3.817 1.00 86.18 C +HETATM 153 CD HYP A 24 -1.625 18.215 -4.487 1.00 87.92 C +HETATM 154 OD1 HYP A 24 -2.396 19.156 -2.432 1.00 86.38 O +HETATM 155 OXT HYP A 24 -4.972 17.128 -6.665 1.00 84.73 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_201.txt b/protein_pdb_201.txt new file mode 100644 index 0000000000000000000000000000000000000000..9ba00fa996dc549ffaca951f6efbc706926f237c --- /dev/null +++ b/protein_pdb_201.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 10.123 -3.276 -10.331 1.00 80.04 N +ATOM 2 CA GLY A 1 9.974 -1.855 -10.077 1.00 82.73 C +ATOM 3 C GLY A 1 9.846 -1.577 -8.603 1.00 84.43 C +ATOM 4 O GLY A 1 9.836 -2.501 -7.790 1.00 81.10 O +ATOM 5 N PRO A 2 9.734 -0.322 -8.244 1.00 84.54 N +ATOM 6 CA PRO A 2 9.625 0.037 -6.837 1.00 86.68 C +ATOM 7 C PRO A 2 8.289 -0.375 -6.245 1.00 86.73 C +ATOM 8 O PRO A 2 7.328 -0.631 -6.962 1.00 84.88 O +ATOM 9 CB PRO A 2 9.776 1.559 -6.845 1.00 83.74 C +ATOM 10 CG PRO A 2 9.302 1.958 -8.191 1.00 79.17 C +ATOM 11 CD PRO A 2 9.705 0.856 -9.115 1.00 79.71 C +HETATM 12 N HYP A 3 8.281 -0.462 -4.981 1.00 83.67 N +HETATM 13 CA HYP A 3 7.003 -0.716 -4.272 1.00 85.46 C +HETATM 14 C HYP A 3 5.985 0.315 -4.590 1.00 85.38 C +HETATM 15 O HYP A 3 6.316 1.494 -4.855 1.00 88.99 O +HETATM 16 CB HYP A 3 7.428 -0.675 -2.793 1.00 84.44 C +HETATM 17 CG HYP A 3 8.879 -1.114 -2.806 1.00 81.29 C +HETATM 18 CD HYP A 3 9.407 -0.421 -4.083 1.00 85.39 C +HETATM 19 OD1 HYP A 3 8.908 -2.501 -2.976 1.00 82.15 O +ATOM 20 N GLY A 4 4.750 -0.113 -4.636 1.00 88.50 N +ATOM 21 CA GLY A 4 3.668 0.799 -4.858 1.00 88.85 C +ATOM 22 C GLY A 4 3.503 1.762 -3.696 1.00 89.61 C +ATOM 23 O GLY A 4 4.117 1.597 -2.642 1.00 90.01 O +ATOM 24 N PRO A 5 2.678 2.767 -3.886 1.00 87.74 N +ATOM 25 CA PRO A 5 2.452 3.740 -2.830 1.00 87.76 C +ATOM 26 C PRO A 5 1.638 3.146 -1.693 1.00 88.04 C +ATOM 27 O PRO A 5 0.986 2.119 -1.848 1.00 87.25 O +ATOM 28 CB PRO A 5 1.692 4.853 -3.542 1.00 86.07 C +ATOM 29 CG PRO A 5 0.971 4.150 -4.634 1.00 84.07 C +ATOM 30 CD PRO A 5 1.886 3.056 -5.081 1.00 85.27 C +HETATM 31 N HYP A 6 1.704 3.817 -0.549 1.00 86.28 N +HETATM 32 CA HYP A 6 0.870 3.412 0.562 1.00 90.68 C +HETATM 33 C HYP A 6 -0.581 3.438 0.226 1.00 87.87 C +HETATM 34 O HYP A 6 -1.032 4.303 -0.585 1.00 87.70 O +HETATM 35 CB HYP A 6 1.211 4.504 1.623 1.00 84.40 C +HETATM 36 CG HYP A 6 2.602 4.944 1.263 1.00 82.20 C +HETATM 37 CD HYP A 6 2.560 4.935 -0.250 1.00 85.46 C +HETATM 38 OD1 HYP A 6 3.520 3.968 1.717 1.00 83.93 O +ATOM 39 N GLY A 7 -1.297 2.496 0.733 1.00 87.22 N +ATOM 40 CA GLY A 7 -2.724 2.466 0.534 1.00 86.85 C +ATOM 41 C GLY A 7 -3.397 3.648 1.191 1.00 86.80 C +ATOM 42 O GLY A 7 -2.786 4.400 1.958 1.00 86.30 O +ATOM 43 N PRO A 8 -4.668 3.825 0.892 1.00 89.84 N +ATOM 44 CA PRO A 8 -5.406 4.932 1.492 1.00 89.75 C +ATOM 45 C PRO A 8 -5.675 4.679 2.965 1.00 89.62 C +ATOM 46 O PRO A 8 -5.616 3.552 3.443 1.00 87.96 O +ATOM 47 CB PRO A 8 -6.699 4.954 0.691 1.00 87.37 C +ATOM 48 CG PRO A 8 -6.885 3.541 0.272 1.00 86.86 C +ATOM 49 CD PRO A 8 -5.508 3.012 0.019 1.00 88.04 C +HETATM 50 N HYP A 9 -5.980 5.773 3.685 1.00 83.37 N +HETATM 51 CA HYP A 9 -6.350 5.643 5.039 1.00 85.77 C +HETATM 52 C HYP A 9 -7.593 4.811 5.208 1.00 82.28 C +HETATM 53 O HYP A 9 -8.513 4.901 4.367 1.00 84.87 O +HETATM 54 CB HYP A 9 -6.664 7.115 5.468 1.00 77.07 C +HETATM 55 CG HYP A 9 -5.853 7.945 4.542 1.00 74.71 C +HETATM 56 CD HYP A 9 -5.887 7.182 3.258 1.00 82.17 C +HETATM 57 OD1 HYP A 9 -4.520 7.965 5.020 1.00 73.89 O +ATOM 58 N GLY A 10 -7.637 3.966 6.167 1.00 84.61 N +ATOM 59 CA GLY A 10 -8.864 3.298 6.511 1.00 81.15 C +ATOM 60 C GLY A 10 -9.850 4.282 7.102 1.00 81.14 C +ATOM 61 O GLY A 10 -9.509 5.434 7.391 1.00 78.48 O +ATOM 62 N SER A 11 -11.054 3.823 7.305 1.00 83.99 N +ATOM 63 CA SER A 11 -12.071 4.706 7.861 1.00 85.71 C +ATOM 64 C SER A 11 -11.708 5.191 9.264 1.00 86.27 C +ATOM 65 O SER A 11 -12.210 6.226 9.706 1.00 82.57 O +ATOM 66 CB SER A 11 -13.428 4.010 7.885 1.00 80.50 C +ATOM 67 OG SER A 11 -13.385 2.870 8.702 1.00 74.48 O +ATOM 68 N MET A 12 -10.851 4.454 9.938 1.00 81.36 N +ATOM 69 CA MET A 12 -10.429 4.789 11.294 1.00 84.22 C +ATOM 70 C MET A 12 -8.932 4.638 11.507 1.00 84.22 C +ATOM 71 O MET A 12 -8.484 4.618 12.651 1.00 75.77 O +ATOM 72 CB MET A 12 -11.146 3.892 12.307 1.00 80.60 C +ATOM 73 CG MET A 12 -12.634 4.018 12.327 1.00 74.41 C +ATOM 74 SD MET A 12 -13.383 2.847 13.469 1.00 68.95 S +ATOM 75 CE MET A 12 -12.695 3.391 15.013 1.00 62.16 C +ATOM 76 N GLY A 13 -8.148 4.514 10.441 1.00 90.57 N +ATOM 77 CA GLY A 13 -6.770 4.124 10.654 1.00 89.77 C +ATOM 78 C GLY A 13 -5.769 4.648 9.655 1.00 90.41 C +ATOM 79 O GLY A 13 -6.097 5.441 8.774 1.00 90.61 O +ATOM 80 N PRO A 14 -4.539 4.216 9.826 1.00 91.61 N +ATOM 81 CA PRO A 14 -3.435 4.686 9.013 1.00 91.68 C +ATOM 82 C PRO A 14 -3.495 4.154 7.594 1.00 91.51 C +ATOM 83 O PRO A 14 -4.269 3.258 7.280 1.00 89.94 O +ATOM 84 CB PRO A 14 -2.208 4.145 9.741 1.00 90.27 C +ATOM 85 CG PRO A 14 -2.702 2.895 10.377 1.00 89.93 C +ATOM 86 CD PRO A 14 -4.109 3.203 10.796 1.00 90.25 C +HETATM 87 N HYP A 15 -2.624 4.725 6.806 1.00 89.56 N +HETATM 88 CA HYP A 15 -2.483 4.233 5.448 1.00 89.88 C +HETATM 89 C HYP A 15 -2.129 2.785 5.390 1.00 91.68 C +HETATM 90 O HYP A 15 -1.467 2.265 6.316 1.00 89.08 O +HETATM 91 CB HYP A 15 -1.303 5.105 4.935 1.00 87.40 C +HETATM 92 CG HYP A 15 -1.359 6.363 5.786 1.00 84.80 C +HETATM 93 CD HYP A 15 -1.755 5.827 7.143 1.00 87.30 C +HETATM 94 OD1 HYP A 15 -2.351 7.207 5.299 1.00 86.93 O +ATOM 95 N GLY A 16 -2.580 2.140 4.362 1.00 93.31 N +ATOM 96 CA GLY A 16 -2.207 0.770 4.161 1.00 92.85 C +ATOM 97 C GLY A 16 -0.736 0.643 3.822 1.00 93.93 C +ATOM 98 O GLY A 16 -0.038 1.634 3.621 1.00 94.18 O +ATOM 99 N PRO A 17 -0.264 -0.600 3.770 1.00 92.80 N +ATOM 100 CA PRO A 17 1.138 -0.830 3.460 1.00 92.88 C +ATOM 101 C PRO A 17 1.435 -0.533 2.001 1.00 93.42 C +ATOM 102 O PRO A 17 0.537 -0.459 1.170 1.00 92.33 O +ATOM 103 CB PRO A 17 1.320 -2.313 3.771 1.00 91.63 C +ATOM 104 CG PRO A 17 -0.024 -2.900 3.557 1.00 90.83 C +ATOM 105 CD PRO A 17 -1.000 -1.845 3.989 1.00 91.75 C +HETATM 106 N HYP A 18 2.705 -0.369 1.719 1.00 88.69 N +HETATM 107 CA HYP A 18 3.130 -0.207 0.363 1.00 91.78 C +HETATM 108 C HYP A 18 2.704 -1.356 -0.488 1.00 89.55 C +HETATM 109 O HYP A 18 2.641 -2.514 -0.018 1.00 90.43 O +HETATM 110 CB HYP A 18 4.650 -0.165 0.497 1.00 90.57 C +HETATM 111 CG HYP A 18 4.885 0.362 1.887 1.00 87.83 C +HETATM 112 CD HYP A 18 3.767 -0.303 2.665 1.00 90.67 C +HETATM 113 OD1 HYP A 18 4.679 1.769 1.904 1.00 88.86 O +ATOM 114 N GLY A 19 2.403 -1.072 -1.725 1.00 90.10 N +ATOM 115 CA GLY A 19 2.087 -2.096 -2.675 1.00 90.49 C +ATOM 116 C GLY A 19 3.306 -2.931 -3.016 1.00 91.01 C +ATOM 117 O GLY A 19 4.428 -2.606 -2.636 1.00 91.34 O +ATOM 118 N PRO A 20 3.084 -4.010 -3.735 1.00 83.21 N +ATOM 119 CA PRO A 20 4.182 -4.874 -4.121 1.00 83.75 C +ATOM 120 C PRO A 20 5.048 -4.221 -5.181 1.00 84.11 C +ATOM 121 O PRO A 20 4.657 -3.249 -5.812 1.00 84.58 O +ATOM 122 CB PRO A 20 3.473 -6.115 -4.662 1.00 81.82 C +ATOM 123 CG PRO A 20 2.180 -5.589 -5.170 1.00 78.91 C +ATOM 124 CD PRO A 20 1.798 -4.478 -4.242 1.00 79.80 C +HETATM 125 N HYP A 21 6.240 -4.762 -5.334 1.00 81.76 N +HETATM 126 CA HYP A 21 7.093 -4.309 -6.398 1.00 83.98 C +HETATM 127 C HYP A 21 6.441 -4.350 -7.757 1.00 84.66 C +HETATM 128 O HYP A 21 5.646 -5.259 -8.020 1.00 88.71 O +HETATM 129 CB HYP A 21 8.291 -5.240 -6.325 1.00 83.42 C +HETATM 130 CG HYP A 21 8.337 -5.678 -4.878 1.00 77.59 C +HETATM 131 CD HYP A 21 6.877 -5.788 -4.509 1.00 83.85 C +HETATM 132 OD1 HYP A 21 8.894 -4.623 -4.086 1.00 82.11 O +ATOM 133 N GLY A 22 6.675 -3.337 -8.555 1.00 86.11 N +ATOM 134 CA GLY A 22 6.166 -3.297 -9.889 1.00 84.66 C +ATOM 135 C GLY A 22 6.813 -4.352 -10.766 1.00 84.44 C +ATOM 136 O GLY A 22 7.694 -5.090 -10.326 1.00 84.21 O +ATOM 137 N PRO A 23 6.392 -4.423 -12.020 1.00 87.71 N +ATOM 138 CA PRO A 23 6.950 -5.421 -12.925 1.00 88.16 C +ATOM 139 C PRO A 23 8.408 -5.129 -13.217 1.00 86.93 C +ATOM 140 O PRO A 23 8.881 -4.008 -13.064 1.00 83.25 O +ATOM 141 CB PRO A 23 6.090 -5.294 -14.169 1.00 83.79 C +ATOM 142 CG PRO A 23 5.593 -3.899 -14.128 1.00 80.76 C +ATOM 143 CD PRO A 23 5.409 -3.579 -12.678 1.00 82.43 C +HETATM 144 N HYP A 24 9.122 -6.054 -13.636 1.00 85.47 N +HETATM 145 CA HYP A 24 10.547 -5.856 -13.923 1.00 81.62 C +HETATM 146 C HYP A 24 10.867 -4.548 -14.432 1.00 81.69 C +HETATM 147 O HYP A 24 10.905 -4.320 -15.641 1.00 74.05 O +HETATM 148 CB HYP A 24 10.919 -7.071 -14.711 1.00 80.53 C +HETATM 149 CG HYP A 24 9.856 -8.110 -14.474 1.00 79.42 C +HETATM 150 CD HYP A 24 8.616 -7.310 -14.137 1.00 84.70 C +HETATM 151 OD1 HYP A 24 10.179 -8.872 -13.309 1.00 79.17 O +HETATM 152 OXT HYP A 24 11.065 -3.680 -13.544 1.00 76.20 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_202.txt b/protein_pdb_202.txt new file mode 100644 index 0000000000000000000000000000000000000000..7044f1d38dd86f8fbeeb8c99b509df7a6bc6ab94 --- /dev/null +++ b/protein_pdb_202.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 6.411 -4.955 -5.565 1.00 81.54 N +ATOM 2 CA GLY A 1 4.992 -5.034 -5.840 1.00 82.44 C +ATOM 3 C GLY A 1 4.382 -3.659 -5.944 1.00 82.82 C +ATOM 4 O GLY A 1 5.073 -2.654 -5.784 1.00 78.94 O +ATOM 5 N PRO A 2 3.077 -3.589 -6.199 1.00 81.73 N +ATOM 6 CA PRO A 2 2.408 -2.305 -6.343 1.00 83.69 C +ATOM 7 C PRO A 2 2.304 -1.562 -5.024 1.00 83.91 C +ATOM 8 O PRO A 2 2.417 -2.139 -3.953 1.00 81.99 O +ATOM 9 CB PRO A 2 1.023 -2.674 -6.881 1.00 80.00 C +ATOM 10 CG PRO A 2 0.808 -4.069 -6.419 1.00 75.24 C +ATOM 11 CD PRO A 2 2.157 -4.716 -6.400 1.00 74.63 C +HETATM 12 N HYP A 3 2.119 -0.316 -5.112 1.00 81.55 N +HETATM 13 CA HYP A 3 1.884 0.545 -3.948 1.00 83.45 C +HETATM 14 C HYP A 3 0.692 0.063 -3.156 1.00 83.29 C +HETATM 15 O HYP A 3 -0.244 -0.552 -3.736 1.00 85.87 O +HETATM 16 CB HYP A 3 1.576 1.890 -4.649 1.00 81.87 C +HETATM 17 CG HYP A 3 2.283 1.814 -6.008 1.00 79.65 C +HETATM 18 CD HYP A 3 2.042 0.371 -6.397 1.00 82.44 C +HETATM 19 OD1 HYP A 3 3.657 2.034 -5.863 1.00 83.72 O +ATOM 20 N GLY A 4 0.720 0.223 -1.891 1.00 86.20 N +ATOM 21 CA GLY A 4 -0.363 -0.202 -1.054 1.00 84.38 C +ATOM 22 C GLY A 4 -1.604 0.641 -1.288 1.00 83.91 C +ATOM 23 O GLY A 4 -1.574 1.636 -2.017 1.00 82.95 O +ATOM 24 N PRO A 5 -2.692 0.245 -0.660 1.00 88.30 N +ATOM 25 CA PRO A 5 -3.944 0.964 -0.826 1.00 86.76 C +ATOM 26 C PRO A 5 -3.952 2.283 -0.069 1.00 86.84 C +ATOM 27 O PRO A 5 -3.118 2.528 0.789 1.00 85.38 O +ATOM 28 CB PRO A 5 -4.973 -0.013 -0.260 1.00 83.94 C +ATOM 29 CG PRO A 5 -4.214 -0.771 0.759 1.00 81.58 C +ATOM 30 CD PRO A 5 -2.826 -0.918 0.208 1.00 82.90 C +HETATM 31 N HYP A 6 -4.907 3.125 -0.413 1.00 85.86 N +HETATM 32 CA HYP A 6 -5.134 4.365 0.293 1.00 88.26 C +HETATM 33 C HYP A 6 -5.376 4.149 1.769 1.00 85.29 C +HETATM 34 O HYP A 6 -5.722 3.023 2.177 1.00 87.37 O +HETATM 35 CB HYP A 6 -6.379 4.886 -0.465 1.00 81.68 C +HETATM 36 CG HYP A 6 -6.196 4.370 -1.877 1.00 82.42 C +HETATM 37 CD HYP A 6 -5.704 2.995 -1.624 1.00 86.71 C +HETATM 38 OD1 HYP A 6 -5.226 5.101 -2.590 1.00 83.04 O +ATOM 39 N GLY A 7 -5.218 5.161 2.540 1.00 86.80 N +ATOM 40 CA GLY A 7 -5.374 5.072 3.966 1.00 85.06 C +ATOM 41 C GLY A 7 -6.775 4.671 4.390 1.00 85.22 C +ATOM 42 O GLY A 7 -7.666 4.468 3.551 1.00 84.63 O +ATOM 43 N PRO A 8 -6.982 4.582 5.703 1.00 88.70 N +ATOM 44 CA PRO A 8 -8.258 4.130 6.237 1.00 88.36 C +ATOM 45 C PRO A 8 -9.395 5.107 5.991 1.00 88.83 C +ATOM 46 O PRO A 8 -9.179 6.291 5.720 1.00 87.65 O +ATOM 47 CB PRO A 8 -7.985 3.955 7.726 1.00 85.89 C +ATOM 48 CG PRO A 8 -6.818 4.821 8.002 1.00 85.65 C +ATOM 49 CD PRO A 8 -6.017 4.866 6.738 1.00 87.24 C +HETATM 50 N HYP A 9 -10.641 4.584 6.122 1.00 85.55 N +HETATM 51 CA HYP A 9 -11.807 5.335 6.019 1.00 87.39 C +HETATM 52 C HYP A 9 -11.829 6.507 6.935 1.00 87.75 C +HETATM 53 O HYP A 9 -11.187 6.439 7.988 1.00 87.79 O +HETATM 54 CB HYP A 9 -12.952 4.358 6.266 1.00 84.66 C +HETATM 55 CG HYP A 9 -12.373 3.020 5.895 1.00 82.10 C +HETATM 56 CD HYP A 9 -10.944 3.153 6.299 1.00 86.80 C +HETATM 57 OD1 HYP A 9 -12.431 2.798 4.512 1.00 82.71 O +ATOM 58 N GLY A 10 -12.569 7.555 6.662 1.00 86.80 N +ATOM 59 CA GLY A 10 -12.682 8.732 7.485 1.00 84.89 C +ATOM 60 C GLY A 10 -11.603 9.756 7.200 1.00 84.45 C +ATOM 61 O GLY A 10 -11.656 10.870 7.714 1.00 82.04 O +ATOM 62 N ARG A 11 -10.625 9.393 6.406 1.00 87.79 N +ATOM 63 CA ARG A 11 -9.542 10.263 6.017 1.00 87.30 C +ATOM 64 C ARG A 11 -8.872 9.622 4.829 1.00 86.41 C +ATOM 65 O ARG A 11 -8.893 8.400 4.674 1.00 83.84 O +ATOM 66 CB ARG A 11 -8.522 10.439 7.150 1.00 83.67 C +ATOM 67 CG ARG A 11 -8.036 9.099 7.691 1.00 78.91 C +ATOM 68 CD ARG A 11 -7.040 9.255 8.815 1.00 74.60 C +ATOM 69 NE ARG A 11 -5.698 9.463 8.314 1.00 72.85 N +ATOM 70 CZ ARG A 11 -4.613 8.804 8.728 1.00 67.27 C +ATOM 71 NH1 ARG A 11 -4.698 7.861 9.656 1.00 66.32 N +ATOM 72 NH2 ARG A 11 -3.436 9.072 8.197 1.00 63.35 N +ATOM 73 N VAL A 12 -8.280 10.437 3.989 1.00 81.90 N +ATOM 74 CA VAL A 12 -7.529 9.904 2.871 1.00 82.61 C +ATOM 75 C VAL A 12 -6.076 9.896 3.302 1.00 83.72 C +ATOM 76 O VAL A 12 -5.484 10.938 3.556 1.00 79.39 O +ATOM 77 CB VAL A 12 -7.715 10.754 1.600 1.00 79.23 C +ATOM 78 CG1 VAL A 12 -6.859 10.203 0.473 1.00 72.58 C +ATOM 79 CG2 VAL A 12 -9.172 10.766 1.187 1.00 72.12 C +ATOM 80 N GLY A 13 -5.537 8.709 3.419 1.00 85.49 N +ATOM 81 CA GLY A 13 -4.154 8.583 3.801 1.00 83.84 C +ATOM 82 C GLY A 13 -3.281 8.355 2.593 1.00 84.34 C +ATOM 83 O GLY A 13 -3.770 8.177 1.476 1.00 83.74 O +ATOM 84 N PRO A 14 -1.987 8.368 2.800 1.00 83.62 N +ATOM 85 CA PRO A 14 -1.080 8.102 1.694 1.00 83.15 C +ATOM 86 C PRO A 14 -1.167 6.636 1.282 1.00 83.52 C +ATOM 87 O PRO A 14 -1.561 5.784 2.071 1.00 81.18 O +ATOM 88 CB PRO A 14 0.294 8.435 2.261 1.00 79.87 C +ATOM 89 CG PRO A 14 0.146 8.259 3.731 1.00 79.59 C +ATOM 90 CD PRO A 14 -1.274 8.629 4.054 1.00 78.39 C +HETATM 91 N HYP A 15 -0.822 6.369 0.072 1.00 82.65 N +HETATM 92 CA HYP A 15 -0.722 5.016 -0.403 1.00 82.75 C +HETATM 93 C HYP A 15 0.265 4.241 0.436 1.00 85.47 C +HETATM 94 O HYP A 15 1.185 4.868 1.016 1.00 84.11 O +HETATM 95 CB HYP A 15 -0.316 5.239 -1.882 1.00 81.33 C +HETATM 96 CG HYP A 15 -0.907 6.615 -2.204 1.00 82.62 C +HETATM 97 CD HYP A 15 -0.644 7.372 -0.942 1.00 85.03 C +HETATM 98 OD1 HYP A 15 -2.276 6.539 -2.485 1.00 82.63 O +ATOM 99 N GLY A 16 0.026 3.002 0.569 1.00 82.22 N +ATOM 100 CA GLY A 16 0.954 2.179 1.294 1.00 81.35 C +ATOM 101 C GLY A 16 2.276 2.083 0.560 1.00 82.24 C +ATOM 102 O GLY A 16 2.415 2.554 -0.570 1.00 81.86 O +ATOM 103 N PRO A 17 3.240 1.480 1.216 1.00 81.83 N +ATOM 104 CA PRO A 17 4.547 1.346 0.597 1.00 81.88 C +ATOM 105 C PRO A 17 4.512 0.360 -0.562 1.00 82.23 C +ATOM 106 O PRO A 17 3.659 -0.516 -0.628 1.00 82.13 O +ATOM 107 CB PRO A 17 5.437 0.853 1.729 1.00 80.54 C +ATOM 108 CG PRO A 17 4.500 0.157 2.653 1.00 79.23 C +ATOM 109 CD PRO A 17 3.199 0.898 2.557 1.00 78.08 C +HETATM 110 N HYP A 18 5.436 0.492 -1.453 1.00 81.98 N +HETATM 111 CA HYP A 18 5.572 -0.441 -2.514 1.00 84.09 C +HETATM 112 C HYP A 18 5.836 -1.828 -1.972 1.00 80.79 C +HETATM 113 O HYP A 18 6.348 -1.963 -0.847 1.00 85.83 O +HETATM 114 CB HYP A 18 6.811 0.118 -3.245 1.00 81.33 C +HETATM 115 CG HYP A 18 6.799 1.601 -2.962 1.00 78.90 C +HETATM 116 CD HYP A 18 6.338 1.642 -1.552 1.00 84.99 C +HETATM 117 OD1 HYP A 18 5.867 2.267 -3.800 1.00 84.50 O +ATOM 118 N GLY A 19 5.437 -2.813 -2.674 1.00 86.93 N +ATOM 119 CA GLY A 19 5.694 -4.163 -2.276 1.00 85.89 C +ATOM 120 C GLY A 19 7.179 -4.460 -2.313 1.00 86.10 C +ATOM 121 O GLY A 19 7.983 -3.645 -2.757 1.00 85.72 O +ATOM 122 N PRO A 20 7.526 -5.638 -1.847 1.00 79.42 N +ATOM 123 CA PRO A 20 8.934 -6.010 -1.844 1.00 79.09 C +ATOM 124 C PRO A 20 9.477 -6.181 -3.246 1.00 78.60 C +ATOM 125 O PRO A 20 8.728 -6.331 -4.202 1.00 78.54 O +ATOM 126 CB PRO A 20 8.947 -7.331 -1.066 1.00 76.26 C +ATOM 127 CG PRO A 20 7.571 -7.853 -1.189 1.00 74.18 C +ATOM 128 CD PRO A 20 6.668 -6.666 -1.291 1.00 73.49 C +HETATM 129 N HYP A 21 10.760 -6.145 -3.371 1.00 82.15 N +HETATM 130 CA HYP A 21 11.409 -6.340 -4.631 1.00 82.69 C +HETATM 131 C HYP A 21 11.032 -7.659 -5.282 1.00 82.68 C +HETATM 132 O HYP A 21 10.768 -8.626 -4.562 1.00 85.21 O +HETATM 133 CB HYP A 21 12.880 -6.334 -4.249 1.00 81.96 C +HETATM 134 CG HYP A 21 12.950 -5.502 -2.974 1.00 79.21 C +HETATM 135 CD HYP A 21 11.693 -5.876 -2.270 1.00 84.85 C +HETATM 136 OD1 HYP A 21 12.891 -4.097 -3.264 1.00 83.01 O +ATOM 137 N GLY A 22 10.858 -7.664 -6.569 1.00 81.64 N +ATOM 138 CA GLY A 22 10.525 -8.866 -7.287 1.00 79.66 C +ATOM 139 C GLY A 22 11.652 -9.881 -7.201 1.00 79.50 C +ATOM 140 O GLY A 22 12.724 -9.592 -6.663 1.00 78.21 O +ATOM 141 N PRO A 23 11.417 -11.049 -7.745 1.00 77.24 N +ATOM 142 CA PRO A 23 12.442 -12.079 -7.704 1.00 80.67 C +ATOM 143 C PRO A 23 13.621 -11.707 -8.580 1.00 79.20 C +ATOM 144 O PRO A 23 13.489 -10.944 -9.535 1.00 76.69 O +ATOM 145 CB PRO A 23 11.718 -13.321 -8.217 1.00 76.08 C +ATOM 146 CG PRO A 23 10.629 -12.783 -9.066 1.00 71.39 C +ATOM 147 CD PRO A 23 10.211 -11.496 -8.422 1.00 73.37 C +HETATM 148 N HYP A 24 14.742 -12.252 -8.340 1.00 85.85 N +HETATM 149 CA HYP A 24 15.903 -11.909 -9.162 1.00 77.44 C +HETATM 150 C HYP A 24 15.643 -12.208 -10.610 1.00 72.67 C +HETATM 151 O HYP A 24 16.347 -11.699 -11.447 1.00 80.98 O +HETATM 152 CB HYP A 24 16.988 -12.827 -8.537 1.00 76.64 C +HETATM 153 CG HYP A 24 16.547 -13.162 -7.152 1.00 76.88 C +HETATM 154 CD HYP A 24 15.039 -13.197 -7.257 1.00 82.85 C +HETATM 155 OD1 HYP A 24 16.917 -12.126 -6.255 1.00 81.05 O +HETATM 156 OXT HYP A 24 14.742 -13.016 -10.897 1.00 81.40 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_203.txt b/protein_pdb_203.txt new file mode 100644 index 0000000000000000000000000000000000000000..fe176b7e403a999c9769a2129241cb95bbca7781 --- /dev/null +++ b/protein_pdb_203.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 24.340 -24.774 -6.376 1.00 87.94 N +ATOM 2 CA GLY A 1 24.643 -23.345 -6.336 1.00 90.70 C +ATOM 3 C GLY A 1 23.766 -22.614 -5.354 1.00 91.00 C +ATOM 4 O GLY A 1 22.808 -23.176 -4.831 1.00 88.80 O +ATOM 5 N PRO A 2 24.046 -21.343 -5.074 1.00 91.61 N +ATOM 6 CA PRO A 2 23.243 -20.558 -4.132 1.00 93.37 C +ATOM 7 C PRO A 2 21.868 -20.233 -4.691 1.00 93.31 C +ATOM 8 O PRO A 2 21.672 -20.190 -5.902 1.00 91.90 O +ATOM 9 CB PRO A 2 24.074 -19.290 -3.916 1.00 91.51 C +ATOM 10 CG PRO A 2 24.803 -19.145 -5.204 1.00 87.69 C +ATOM 11 CD PRO A 2 25.150 -20.556 -5.611 1.00 89.55 C +HETATM 12 N HYP A 3 20.982 -20.053 -3.877 1.00 90.68 N +HETATM 13 CA HYP A 3 19.582 -19.606 -4.225 1.00 89.55 C +HETATM 14 C HYP A 3 19.542 -18.269 -4.939 1.00 83.97 C +HETATM 15 O HYP A 3 20.407 -17.390 -4.716 1.00 89.94 O +HETATM 16 CB HYP A 3 18.954 -19.481 -2.844 1.00 87.00 C +HETATM 17 CG HYP A 3 19.753 -20.389 -1.928 1.00 85.40 C +HETATM 18 CD HYP A 3 21.185 -20.216 -2.460 1.00 88.58 C +HETATM 19 OD1 HYP A 3 19.365 -21.723 -2.063 1.00 90.02 O +ATOM 20 N GLY A 4 18.551 -18.072 -5.782 1.00 93.04 N +ATOM 21 CA GLY A 4 18.383 -16.822 -6.476 1.00 92.47 C +ATOM 22 C GLY A 4 17.826 -15.754 -5.546 1.00 92.82 C +ATOM 23 O GLY A 4 17.409 -16.053 -4.427 1.00 92.76 O +ATOM 24 N PRO A 5 17.796 -14.505 -5.994 1.00 92.91 N +ATOM 25 CA PRO A 5 17.287 -13.420 -5.160 1.00 93.39 C +ATOM 26 C PRO A 5 15.771 -13.497 -5.005 1.00 93.10 C +ATOM 27 O PRO A 5 15.079 -14.056 -5.843 1.00 92.21 O +ATOM 28 CB PRO A 5 17.710 -12.160 -5.910 1.00 91.44 C +ATOM 29 CG PRO A 5 17.722 -12.608 -7.337 1.00 88.78 C +ATOM 30 CD PRO A 5 18.263 -14.019 -7.288 1.00 91.01 C +HETATM 31 N HYP A 6 15.275 -12.959 -3.929 1.00 89.68 N +HETATM 32 CA HYP A 6 13.804 -12.824 -3.731 1.00 92.97 C +HETATM 33 C HYP A 6 13.154 -11.982 -4.783 1.00 84.16 C +HETATM 34 O HYP A 6 13.773 -11.055 -5.359 1.00 87.33 O +HETATM 35 CB HYP A 6 13.743 -12.097 -2.369 1.00 84.73 C +HETATM 36 CG HYP A 6 15.015 -12.439 -1.643 1.00 84.24 C +HETATM 37 CD HYP A 6 16.014 -12.501 -2.770 1.00 89.29 C +HETATM 38 OD1 HYP A 6 14.921 -13.686 -1.001 1.00 87.92 O +ATOM 39 N GLY A 7 11.879 -12.252 -5.090 1.00 93.41 N +ATOM 40 CA GLY A 7 11.120 -11.498 -6.055 1.00 92.45 C +ATOM 41 C GLY A 7 10.789 -10.106 -5.535 1.00 92.70 C +ATOM 42 O GLY A 7 11.014 -9.798 -4.362 1.00 92.28 O +ATOM 43 N PRO A 8 10.229 -9.251 -6.388 1.00 91.30 N +ATOM 44 CA PRO A 8 9.883 -7.892 -5.976 1.00 91.78 C +ATOM 45 C PRO A 8 8.698 -7.885 -5.016 1.00 91.11 C +ATOM 46 O PRO A 8 7.880 -8.798 -5.015 1.00 89.86 O +ATOM 47 CB PRO A 8 9.544 -7.194 -7.285 1.00 89.86 C +ATOM 48 CG PRO A 8 9.048 -8.305 -8.147 1.00 89.61 C +ATOM 49 CD PRO A 8 9.926 -9.485 -7.790 1.00 91.66 C +HETATM 50 N HYP A 9 8.575 -6.864 -4.205 1.00 87.48 N +HETATM 51 CA HYP A 9 7.448 -6.673 -3.314 1.00 88.58 C +HETATM 52 C HYP A 9 6.177 -6.470 -4.042 1.00 85.36 C +HETATM 53 O HYP A 9 6.139 -5.908 -5.159 1.00 86.60 O +HETATM 54 CB HYP A 9 7.832 -5.368 -2.568 1.00 86.81 C +HETATM 55 CG HYP A 9 9.323 -5.302 -2.640 1.00 85.61 C +HETATM 56 CD HYP A 9 9.610 -5.911 -3.967 1.00 87.60 C +HETATM 57 OD1 HYP A 9 9.872 -6.098 -1.620 1.00 84.55 O +ATOM 58 N GLY A 10 5.033 -6.883 -3.441 1.00 88.55 N +ATOM 59 CA GLY A 10 3.721 -6.721 -4.019 1.00 86.75 C +ATOM 60 C GLY A 10 3.342 -5.254 -4.147 1.00 86.94 C +ATOM 61 O GLY A 10 3.985 -4.372 -3.573 1.00 84.82 O +ATOM 62 N GLU A 11 2.268 -4.989 -4.897 1.00 86.04 N +ATOM 63 CA GLU A 11 1.793 -3.622 -5.098 1.00 86.98 C +ATOM 64 C GLU A 11 1.226 -3.042 -3.808 1.00 85.94 C +ATOM 65 O GLU A 11 0.669 -3.754 -2.979 1.00 83.11 O +ATOM 66 CB GLU A 11 0.720 -3.578 -6.180 1.00 83.57 C +ATOM 67 CG GLU A 11 1.243 -3.902 -7.562 1.00 77.84 C +ATOM 68 CD GLU A 11 0.167 -3.780 -8.617 1.00 74.48 C +ATOM 69 OE1 GLU A 11 -0.932 -3.289 -8.304 1.00 69.86 O +ATOM 70 OE2 GLU A 11 0.419 -4.196 -9.760 1.00 70.43 O +ATOM 71 N CYS A 12 1.378 -1.729 -3.663 1.00 86.49 N +ATOM 72 CA CYS A 12 0.820 -1.040 -2.509 1.00 86.90 C +ATOM 73 C CYS A 12 -0.698 -1.051 -2.635 1.00 87.44 C +ATOM 74 O CYS A 12 -1.240 -0.918 -3.732 1.00 83.61 O +ATOM 75 CB CYS A 12 1.333 0.403 -2.452 1.00 82.32 C +ATOM 76 SG CYS A 12 0.773 1.315 -1.010 1.00 76.44 S +ATOM 77 N GLY A 13 -1.376 -1.216 -1.496 1.00 82.07 N +ATOM 78 CA GLY A 13 -2.824 -1.234 -1.510 1.00 82.30 C +ATOM 79 C GLY A 13 -3.417 0.113 -1.876 1.00 83.91 C +ATOM 80 O GLY A 13 -2.711 1.120 -1.942 1.00 84.04 O +ATOM 81 N PRO A 14 -4.742 0.176 -2.115 1.00 82.63 N +ATOM 82 CA PRO A 14 -5.399 1.427 -2.471 1.00 85.86 C +ATOM 83 C PRO A 14 -5.453 2.384 -1.292 1.00 85.42 C +ATOM 84 O PRO A 14 -5.365 1.974 -0.141 1.00 84.58 O +ATOM 85 CB PRO A 14 -6.797 0.989 -2.903 1.00 83.85 C +ATOM 86 CG PRO A 14 -7.027 -0.251 -2.113 1.00 81.67 C +ATOM 87 CD PRO A 14 -5.683 -0.937 -2.091 1.00 82.25 C +HETATM 88 N HYP A 15 -5.636 3.683 -1.563 1.00 80.88 N +HETATM 89 CA HYP A 15 -5.785 4.687 -0.558 1.00 80.67 C +HETATM 90 C HYP A 15 -7.016 4.477 0.332 1.00 82.36 C +HETATM 91 O HYP A 15 -7.996 3.849 -0.105 1.00 83.93 O +HETATM 92 CB HYP A 15 -5.995 5.955 -1.401 1.00 78.38 C +HETATM 93 CG HYP A 15 -5.269 5.653 -2.667 1.00 79.20 C +HETATM 94 CD HYP A 15 -5.571 4.211 -2.851 1.00 82.49 C +HETATM 95 OD1 HYP A 15 -3.909 5.849 -2.537 1.00 80.51 O +ATOM 96 N GLY A 16 -6.934 4.877 1.549 1.00 88.44 N +ATOM 97 CA GLY A 16 -8.046 4.740 2.453 1.00 87.88 C +ATOM 98 C GLY A 16 -9.184 5.672 2.065 1.00 88.33 C +ATOM 99 O GLY A 16 -9.029 6.528 1.197 1.00 88.41 O +ATOM 100 N PRO A 17 -10.349 5.514 2.716 1.00 79.42 N +ATOM 101 CA PRO A 17 -11.501 6.352 2.407 1.00 83.47 C +ATOM 102 C PRO A 17 -11.313 7.776 2.890 1.00 83.42 C +ATOM 103 O PRO A 17 -10.553 8.034 3.814 1.00 83.45 O +ATOM 104 CB PRO A 17 -12.646 5.657 3.133 1.00 81.81 C +ATOM 105 CG PRO A 17 -11.973 5.017 4.299 1.00 78.71 C +ATOM 106 CD PRO A 17 -10.656 4.530 3.748 1.00 79.29 C +HETATM 107 N HYP A 18 -12.006 8.730 2.314 1.00 84.66 N +HETATM 108 CA HYP A 18 -12.014 10.107 2.728 1.00 89.28 C +HETATM 109 C HYP A 18 -12.612 10.286 4.124 1.00 84.57 C +HETATM 110 O HYP A 18 -13.411 9.456 4.602 1.00 87.88 O +HETATM 111 CB HYP A 18 -12.973 10.735 1.718 1.00 83.91 C +HETATM 112 CG HYP A 18 -12.871 9.902 0.491 1.00 81.21 C +HETATM 113 CD HYP A 18 -12.698 8.535 1.072 1.00 85.52 C +HETATM 114 OD1 HYP A 18 -11.759 10.246 -0.280 1.00 86.97 O +ATOM 115 N GLY A 19 -12.195 11.314 4.802 1.00 88.52 N +ATOM 116 CA GLY A 19 -12.703 11.603 6.117 1.00 87.76 C +ATOM 117 C GLY A 19 -14.162 12.021 6.055 1.00 88.42 C +ATOM 118 O GLY A 19 -14.724 12.207 4.973 1.00 88.32 O +ATOM 119 N PRO A 20 -14.809 12.189 7.216 1.00 82.21 N +ATOM 120 CA PRO A 20 -16.217 12.569 7.261 1.00 84.15 C +ATOM 121 C PRO A 20 -16.435 14.001 6.792 1.00 83.61 C +ATOM 122 O PRO A 20 -15.541 14.836 6.877 1.00 82.06 O +ATOM 123 CB PRO A 20 -16.585 12.395 8.735 1.00 81.68 C +ATOM 124 CG PRO A 20 -15.295 12.630 9.439 1.00 79.74 C +ATOM 125 CD PRO A 20 -14.254 11.998 8.550 1.00 81.26 C +HETATM 126 N HYP A 21 -17.609 14.332 6.346 1.00 89.76 N +HETATM 127 CA HYP A 21 -17.985 15.662 5.906 1.00 87.15 C +HETATM 128 C HYP A 21 -18.035 16.672 7.036 1.00 86.65 C +HETATM 129 O HYP A 21 -18.283 16.291 8.188 1.00 90.24 O +HETATM 130 CB HYP A 21 -19.459 15.441 5.430 1.00 87.78 C +HETATM 131 CG HYP A 21 -19.543 14.012 5.039 1.00 82.52 C +HETATM 132 CD HYP A 21 -18.613 13.337 6.031 1.00 88.32 C +HETATM 133 OD1 HYP A 21 -19.028 13.819 3.730 1.00 86.74 O +ATOM 134 N GLY A 22 -17.763 17.913 6.761 1.00 88.24 N +ATOM 135 CA GLY A 22 -17.830 18.957 7.743 1.00 87.39 C +ATOM 136 C GLY A 22 -19.275 19.245 8.121 1.00 87.30 C +ATOM 137 O GLY A 22 -20.199 18.680 7.538 1.00 85.70 O +ATOM 138 N PRO A 23 -19.507 20.171 9.063 1.00 87.03 N +ATOM 139 CA PRO A 23 -20.867 20.491 9.489 1.00 87.87 C +ATOM 140 C PRO A 23 -21.615 21.247 8.409 1.00 87.24 C +ATOM 141 O PRO A 23 -21.014 21.901 7.556 1.00 83.14 O +ATOM 142 CB PRO A 23 -20.651 21.347 10.733 1.00 83.65 C +ATOM 143 CG PRO A 23 -19.335 21.991 10.491 1.00 81.50 C +ATOM 144 CD PRO A 23 -18.512 20.926 9.811 1.00 82.45 C +HETATM 145 N HYP A 24 -22.976 21.252 8.446 1.00 87.29 N +HETATM 146 CA HYP A 24 -23.706 21.978 7.415 1.00 84.11 C +HETATM 147 C HYP A 24 -23.561 23.485 7.617 1.00 85.95 C +HETATM 148 O HYP A 24 -24.310 24.286 7.162 1.00 81.48 O +HETATM 149 CB HYP A 24 -25.206 21.648 7.766 1.00 86.66 C +HETATM 150 CG HYP A 24 -25.191 20.433 8.612 1.00 83.09 C +HETATM 151 CD HYP A 24 -23.841 20.503 9.327 1.00 87.01 C +HETATM 152 OD1 HYP A 24 -25.203 19.293 7.784 1.00 81.60 O +HETATM 153 OXT HYP A 24 -22.632 23.829 8.295 1.00 79.68 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_204.txt b/protein_pdb_204.txt new file mode 100644 index 0000000000000000000000000000000000000000..26d7a9122f46ede620517473db2fb9419c47a899 --- /dev/null +++ b/protein_pdb_204.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 8.490 3.503 -12.113 1.00 80.84 N +ATOM 2 CA GLY A 1 7.225 4.019 -11.700 1.00 81.02 C +ATOM 3 C GLY A 1 7.153 4.367 -10.228 1.00 82.33 C +ATOM 4 O GLY A 1 8.070 4.064 -9.462 1.00 79.22 O +ATOM 5 N PRO A 2 6.093 4.986 -9.848 1.00 80.61 N +ATOM 6 CA PRO A 2 5.904 5.406 -8.475 1.00 81.76 C +ATOM 7 C PRO A 2 5.557 4.234 -7.568 1.00 81.82 C +ATOM 8 O PRO A 2 5.258 3.137 -8.032 1.00 79.70 O +ATOM 9 CB PRO A 2 4.745 6.393 -8.575 1.00 78.72 C +ATOM 10 CG PRO A 2 3.949 5.872 -9.719 1.00 75.70 C +ATOM 11 CD PRO A 2 4.964 5.345 -10.699 1.00 76.74 C +HETATM 12 N HYP A 3 5.605 4.505 -6.267 1.00 79.35 N +HETATM 13 CA HYP A 3 5.170 3.490 -5.346 1.00 84.06 C +HETATM 14 C HYP A 3 3.771 3.060 -5.590 1.00 82.19 C +HETATM 15 O HYP A 3 2.951 3.838 -6.139 1.00 83.20 O +HETATM 16 CB HYP A 3 5.297 4.221 -4.004 1.00 78.55 C +HETATM 17 CG HYP A 3 6.388 5.198 -4.269 1.00 72.82 C +HETATM 18 CD HYP A 3 6.081 5.681 -5.676 1.00 78.49 C +HETATM 19 OD1 HYP A 3 7.616 4.554 -4.257 1.00 76.43 O +ATOM 20 N GLY A 4 3.517 1.829 -5.261 1.00 81.82 N +ATOM 21 CA GLY A 4 2.179 1.319 -5.372 1.00 79.89 C +ATOM 22 C GLY A 4 1.257 1.985 -4.375 1.00 80.41 C +ATOM 23 O GLY A 4 1.689 2.755 -3.518 1.00 78.81 O +ATOM 24 N PRO A 5 -0.028 1.693 -4.472 1.00 83.00 N +ATOM 25 CA PRO A 5 -1.000 2.286 -3.566 1.00 82.49 C +ATOM 26 C PRO A 5 -0.877 1.718 -2.165 1.00 82.30 C +ATOM 27 O PRO A 5 -0.295 0.659 -1.950 1.00 79.92 O +ATOM 28 CB PRO A 5 -2.339 1.926 -4.201 1.00 80.00 C +ATOM 29 CG PRO A 5 -2.063 0.652 -4.925 1.00 77.51 C +ATOM 30 CD PRO A 5 -0.655 0.786 -5.434 1.00 79.16 C +HETATM 31 N HYP A 6 -1.426 2.439 -1.202 1.00 78.35 N +HETATM 32 CA HYP A 6 -1.491 1.936 0.136 1.00 85.48 C +HETATM 33 C HYP A 6 -2.208 0.634 0.241 1.00 79.78 C +HETATM 34 O HYP A 6 -3.117 0.354 -0.576 1.00 83.56 O +HETATM 35 CB HYP A 6 -2.307 3.050 0.817 1.00 81.57 C +HETATM 36 CG HYP A 6 -1.999 4.267 0.014 1.00 78.43 C +HETATM 37 CD HYP A 6 -1.998 3.728 -1.361 1.00 81.89 C +HETATM 38 OD1 HYP A 6 -0.732 4.742 0.325 1.00 78.87 O +ATOM 39 N GLY A 7 -1.741 -0.196 1.121 1.00 80.44 N +ATOM 40 CA GLY A 7 -2.387 -1.458 1.358 1.00 78.57 C +ATOM 41 C GLY A 7 -3.764 -1.264 1.974 1.00 78.71 C +ATOM 42 O GLY A 7 -4.187 -0.147 2.262 1.00 76.59 O +ATOM 43 N PRO A 8 -4.462 -2.355 2.185 1.00 78.41 N +ATOM 44 CA PRO A 8 -5.798 -2.283 2.758 1.00 77.89 C +ATOM 45 C PRO A 8 -5.758 -1.926 4.235 1.00 77.91 C +ATOM 46 O PRO A 8 -4.726 -2.054 4.889 1.00 74.81 O +ATOM 47 CB PRO A 8 -6.349 -3.690 2.544 1.00 74.81 C +ATOM 48 CG PRO A 8 -5.131 -4.545 2.570 1.00 73.01 C +ATOM 49 CD PRO A 8 -4.049 -3.722 1.917 1.00 74.32 C +HETATM 50 N HYP A 9 -6.898 -1.488 4.752 1.00 77.48 N +HETATM 51 CA HYP A 9 -7.006 -1.236 6.137 1.00 80.07 C +HETATM 52 C HYP A 9 -6.724 -2.446 6.948 1.00 76.79 C +HETATM 53 O HYP A 9 -6.982 -3.553 6.521 1.00 80.45 O +HETATM 54 CB HYP A 9 -8.490 -0.855 6.208 1.00 76.14 C +HETATM 55 CG HYP A 9 -8.795 -0.278 4.911 1.00 71.37 C +HETATM 56 CD HYP A 9 -8.068 -1.150 4.003 1.00 77.26 C +HETATM 57 OD1 HYP A 9 -8.272 1.017 4.805 1.00 71.96 O +ATOM 58 N GLY A 10 -6.145 -2.225 8.123 1.00 79.86 N +ATOM 59 CA GLY A 10 -5.709 -3.293 8.987 1.00 76.86 C +ATOM 60 C GLY A 10 -6.811 -3.955 9.790 1.00 78.19 C +ATOM 61 O GLY A 10 -6.515 -4.844 10.585 1.00 74.67 O +ATOM 62 N GLY A 11 -8.027 -3.570 9.647 1.00 79.98 N +ATOM 63 CA GLY A 11 -9.103 -4.198 10.379 1.00 79.28 C +ATOM 64 C GLY A 11 -9.250 -3.665 11.785 1.00 79.77 C +ATOM 65 O GLY A 11 -9.058 -4.406 12.743 1.00 77.28 O +HETATM 66 N HYP A 12 -9.686 -2.463 12.015 1.00 77.93 N +HETATM 67 CA HYP A 12 -9.460 -1.499 12.885 1.00 81.42 C +HETATM 68 C HYP A 12 -8.161 -0.838 12.923 1.00 78.51 C +HETATM 69 O HYP A 12 -7.813 0.006 13.738 1.00 77.81 O +HETATM 70 CB HYP A 12 -10.624 -0.793 13.355 1.00 75.71 C +HETATM 71 CG HYP A 12 -11.726 -1.695 12.899 1.00 75.56 C +HETATM 72 CD HYP A 12 -11.047 -2.608 11.965 1.00 77.38 C +HETATM 73 OD1 HYP A 12 -12.802 -1.052 12.299 1.00 79.65 O +ATOM 74 N GLY A 13 -7.339 -1.293 11.980 1.00 80.44 N +ATOM 75 CA GLY A 13 -5.990 -0.779 11.864 1.00 78.46 C +ATOM 76 C GLY A 13 -5.816 0.149 10.686 1.00 79.23 C +ATOM 77 O GLY A 13 -6.725 0.323 9.868 1.00 77.39 O +ATOM 78 N PRO A 14 -4.653 0.741 10.575 1.00 80.23 N +ATOM 79 CA PRO A 14 -4.372 1.672 9.497 1.00 79.87 C +ATOM 80 C PRO A 14 -4.151 0.946 8.173 1.00 79.40 C +ATOM 81 O PRO A 14 -3.943 -0.263 8.137 1.00 76.54 O +ATOM 82 CB PRO A 14 -3.097 2.371 9.961 1.00 77.03 C +ATOM 83 CG PRO A 14 -2.407 1.336 10.779 1.00 75.54 C +ATOM 84 CD PRO A 14 -3.507 0.584 11.475 1.00 76.13 C +HETATM 85 N HYP A 15 -4.188 1.720 7.090 1.00 76.59 N +HETATM 86 CA HYP A 15 -3.852 1.166 5.816 1.00 81.25 C +HETATM 87 C HYP A 15 -2.471 0.613 5.798 1.00 82.19 C +HETATM 88 O HYP A 15 -1.619 1.072 6.586 1.00 81.59 O +HETATM 89 CB HYP A 15 -3.955 2.413 4.914 1.00 77.61 C +HETATM 90 CG HYP A 15 -4.988 3.216 5.618 1.00 72.85 C +HETATM 91 CD HYP A 15 -4.634 3.028 7.078 1.00 76.50 C +HETATM 92 OD1 HYP A 15 -6.262 2.700 5.372 1.00 74.29 O +ATOM 93 N GLY A 16 -2.299 -0.385 4.996 1.00 80.93 N +ATOM 94 CA GLY A 16 -0.990 -0.958 4.835 1.00 79.08 C +ATOM 95 C GLY A 16 -0.032 0.016 4.187 1.00 80.00 C +ATOM 96 O GLY A 16 -0.412 1.106 3.765 1.00 78.93 O +ATOM 97 N PRO A 17 1.223 -0.376 4.104 1.00 80.84 N +ATOM 98 CA PRO A 17 2.232 0.496 3.514 1.00 80.67 C +ATOM 99 C PRO A 17 2.073 0.592 2.013 1.00 80.82 C +ATOM 100 O PRO A 17 1.447 -0.255 1.381 1.00 78.68 O +ATOM 101 CB PRO A 17 3.546 -0.185 3.889 1.00 77.86 C +ATOM 102 CG PRO A 17 3.180 -1.619 3.986 1.00 75.89 C +ATOM 103 CD PRO A 17 1.786 -1.647 4.549 1.00 76.44 C +HETATM 104 N HYP A 18 2.619 1.640 1.426 1.00 77.65 N +HETATM 105 CA HYP A 18 2.658 1.745 0.020 1.00 83.29 C +HETATM 106 C HYP A 18 3.365 0.603 -0.631 1.00 82.58 C +HETATM 107 O HYP A 18 4.265 -0.007 -0.036 1.00 82.35 O +HETATM 108 CB HYP A 18 3.485 3.026 -0.153 1.00 79.99 C +HETATM 109 CG HYP A 18 3.250 3.791 1.123 1.00 76.56 C +HETATM 110 CD HYP A 18 3.225 2.704 2.144 1.00 78.93 C +HETATM 111 OD1 HYP A 18 1.989 4.409 1.116 1.00 79.32 O +ATOM 112 N GLY A 19 2.915 0.258 -1.804 1.00 78.02 N +ATOM 113 CA GLY A 19 3.557 -0.779 -2.562 1.00 76.75 C +ATOM 114 C GLY A 19 4.950 -0.360 -2.998 1.00 76.02 C +ATOM 115 O GLY A 19 5.376 0.777 -2.799 1.00 74.15 O +ATOM 116 N PRO A 20 5.662 -1.286 -3.597 1.00 75.42 N +ATOM 117 CA PRO A 20 7.007 -0.981 -4.060 1.00 75.56 C +ATOM 118 C PRO A 20 6.981 -0.082 -5.283 1.00 75.11 C +ATOM 119 O PRO A 20 5.966 0.046 -5.956 1.00 73.52 O +ATOM 120 CB PRO A 20 7.580 -2.356 -4.399 1.00 73.15 C +ATOM 121 CG PRO A 20 6.375 -3.142 -4.801 1.00 70.39 C +ATOM 122 CD PRO A 20 5.266 -2.654 -3.909 1.00 71.22 C +HETATM 123 N HYP A 21 8.118 0.538 -5.549 1.00 79.65 N +HETATM 124 CA HYP A 21 8.227 1.324 -6.750 1.00 82.86 C +HETATM 125 C HYP A 21 7.970 0.499 -7.993 1.00 79.99 C +HETATM 126 O HYP A 21 8.301 -0.687 -8.040 1.00 78.67 O +HETATM 127 CB HYP A 21 9.702 1.679 -6.712 1.00 77.61 C +HETATM 128 CG HYP A 21 10.043 1.685 -5.264 1.00 74.48 C +HETATM 129 CD HYP A 21 9.279 0.526 -4.735 1.00 78.39 C +HETATM 130 OD1 HYP A 21 9.533 2.849 -4.629 1.00 76.75 O +ATOM 131 N GLY A 22 7.301 1.104 -8.931 1.00 76.62 N +ATOM 132 CA GLY A 22 7.116 0.468 -10.203 1.00 73.09 C +ATOM 133 C GLY A 22 8.434 0.407 -10.954 1.00 72.52 C +ATOM 134 O GLY A 22 9.406 1.074 -10.591 1.00 70.31 O +ATOM 135 N PRO A 23 8.488 -0.360 -12.014 1.00 74.00 N +ATOM 136 CA PRO A 23 9.698 -0.455 -12.817 1.00 75.46 C +ATOM 137 C PRO A 23 9.842 0.778 -13.710 1.00 74.74 C +ATOM 138 O PRO A 23 9.138 0.908 -14.700 1.00 71.82 O +ATOM 139 CB PRO A 23 9.486 -1.735 -13.619 1.00 71.76 C +ATOM 140 CG PRO A 23 8.009 -1.874 -13.725 1.00 67.46 C +ATOM 141 CD PRO A 23 7.440 -1.267 -12.466 1.00 67.26 C +HETATM 142 N HYP A 24 10.724 1.742 -13.329 1.00 77.38 N +HETATM 143 CA HYP A 24 10.622 3.118 -13.668 1.00 76.83 C +HETATM 144 C HYP A 24 9.511 3.831 -13.759 1.00 72.75 C +HETATM 145 O HYP A 24 9.354 5.067 -13.772 1.00 71.75 O +HETATM 146 CB HYP A 24 11.949 3.733 -13.915 1.00 71.73 C +HETATM 147 CG HYP A 24 12.871 2.550 -13.975 1.00 71.02 C +HETATM 148 CD HYP A 24 12.053 1.356 -13.409 1.00 74.58 C +HETATM 149 OD1 HYP A 24 14.053 2.741 -13.231 1.00 75.20 O +HETATM 150 OXT HYP A 24 8.512 3.273 -14.301 1.00 74.07 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_205.txt b/protein_pdb_205.txt new file mode 100644 index 0000000000000000000000000000000000000000..26d7a9122f46ede620517473db2fb9419c47a899 --- /dev/null +++ b/protein_pdb_205.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 8.490 3.503 -12.113 1.00 80.84 N +ATOM 2 CA GLY A 1 7.225 4.019 -11.700 1.00 81.02 C +ATOM 3 C GLY A 1 7.153 4.367 -10.228 1.00 82.33 C +ATOM 4 O GLY A 1 8.070 4.064 -9.462 1.00 79.22 O +ATOM 5 N PRO A 2 6.093 4.986 -9.848 1.00 80.61 N +ATOM 6 CA PRO A 2 5.904 5.406 -8.475 1.00 81.76 C +ATOM 7 C PRO A 2 5.557 4.234 -7.568 1.00 81.82 C +ATOM 8 O PRO A 2 5.258 3.137 -8.032 1.00 79.70 O +ATOM 9 CB PRO A 2 4.745 6.393 -8.575 1.00 78.72 C +ATOM 10 CG PRO A 2 3.949 5.872 -9.719 1.00 75.70 C +ATOM 11 CD PRO A 2 4.964 5.345 -10.699 1.00 76.74 C +HETATM 12 N HYP A 3 5.605 4.505 -6.267 1.00 79.35 N +HETATM 13 CA HYP A 3 5.170 3.490 -5.346 1.00 84.06 C +HETATM 14 C HYP A 3 3.771 3.060 -5.590 1.00 82.19 C +HETATM 15 O HYP A 3 2.951 3.838 -6.139 1.00 83.20 O +HETATM 16 CB HYP A 3 5.297 4.221 -4.004 1.00 78.55 C +HETATM 17 CG HYP A 3 6.388 5.198 -4.269 1.00 72.82 C +HETATM 18 CD HYP A 3 6.081 5.681 -5.676 1.00 78.49 C +HETATM 19 OD1 HYP A 3 7.616 4.554 -4.257 1.00 76.43 O +ATOM 20 N GLY A 4 3.517 1.829 -5.261 1.00 81.82 N +ATOM 21 CA GLY A 4 2.179 1.319 -5.372 1.00 79.89 C +ATOM 22 C GLY A 4 1.257 1.985 -4.375 1.00 80.41 C +ATOM 23 O GLY A 4 1.689 2.755 -3.518 1.00 78.81 O +ATOM 24 N PRO A 5 -0.028 1.693 -4.472 1.00 83.00 N +ATOM 25 CA PRO A 5 -1.000 2.286 -3.566 1.00 82.49 C +ATOM 26 C PRO A 5 -0.877 1.718 -2.165 1.00 82.30 C +ATOM 27 O PRO A 5 -0.295 0.659 -1.950 1.00 79.92 O +ATOM 28 CB PRO A 5 -2.339 1.926 -4.201 1.00 80.00 C +ATOM 29 CG PRO A 5 -2.063 0.652 -4.925 1.00 77.51 C +ATOM 30 CD PRO A 5 -0.655 0.786 -5.434 1.00 79.16 C +HETATM 31 N HYP A 6 -1.426 2.439 -1.202 1.00 78.35 N +HETATM 32 CA HYP A 6 -1.491 1.936 0.136 1.00 85.48 C +HETATM 33 C HYP A 6 -2.208 0.634 0.241 1.00 79.78 C +HETATM 34 O HYP A 6 -3.117 0.354 -0.576 1.00 83.56 O +HETATM 35 CB HYP A 6 -2.307 3.050 0.817 1.00 81.57 C +HETATM 36 CG HYP A 6 -1.999 4.267 0.014 1.00 78.43 C +HETATM 37 CD HYP A 6 -1.998 3.728 -1.361 1.00 81.89 C +HETATM 38 OD1 HYP A 6 -0.732 4.742 0.325 1.00 78.87 O +ATOM 39 N GLY A 7 -1.741 -0.196 1.121 1.00 80.44 N +ATOM 40 CA GLY A 7 -2.387 -1.458 1.358 1.00 78.57 C +ATOM 41 C GLY A 7 -3.764 -1.264 1.974 1.00 78.71 C +ATOM 42 O GLY A 7 -4.187 -0.147 2.262 1.00 76.59 O +ATOM 43 N PRO A 8 -4.462 -2.355 2.185 1.00 78.41 N +ATOM 44 CA PRO A 8 -5.798 -2.283 2.758 1.00 77.89 C +ATOM 45 C PRO A 8 -5.758 -1.926 4.235 1.00 77.91 C +ATOM 46 O PRO A 8 -4.726 -2.054 4.889 1.00 74.81 O +ATOM 47 CB PRO A 8 -6.349 -3.690 2.544 1.00 74.81 C +ATOM 48 CG PRO A 8 -5.131 -4.545 2.570 1.00 73.01 C +ATOM 49 CD PRO A 8 -4.049 -3.722 1.917 1.00 74.32 C +HETATM 50 N HYP A 9 -6.898 -1.488 4.752 1.00 77.48 N +HETATM 51 CA HYP A 9 -7.006 -1.236 6.137 1.00 80.07 C +HETATM 52 C HYP A 9 -6.724 -2.446 6.948 1.00 76.79 C +HETATM 53 O HYP A 9 -6.982 -3.553 6.521 1.00 80.45 O +HETATM 54 CB HYP A 9 -8.490 -0.855 6.208 1.00 76.14 C +HETATM 55 CG HYP A 9 -8.795 -0.278 4.911 1.00 71.37 C +HETATM 56 CD HYP A 9 -8.068 -1.150 4.003 1.00 77.26 C +HETATM 57 OD1 HYP A 9 -8.272 1.017 4.805 1.00 71.96 O +ATOM 58 N GLY A 10 -6.145 -2.225 8.123 1.00 79.86 N +ATOM 59 CA GLY A 10 -5.709 -3.293 8.987 1.00 76.86 C +ATOM 60 C GLY A 10 -6.811 -3.955 9.790 1.00 78.19 C +ATOM 61 O GLY A 10 -6.515 -4.844 10.585 1.00 74.67 O +ATOM 62 N GLY A 11 -8.027 -3.570 9.647 1.00 79.98 N +ATOM 63 CA GLY A 11 -9.103 -4.198 10.379 1.00 79.28 C +ATOM 64 C GLY A 11 -9.250 -3.665 11.785 1.00 79.77 C +ATOM 65 O GLY A 11 -9.058 -4.406 12.743 1.00 77.28 O +HETATM 66 N HYP A 12 -9.686 -2.463 12.015 1.00 77.93 N +HETATM 67 CA HYP A 12 -9.460 -1.499 12.885 1.00 81.42 C +HETATM 68 C HYP A 12 -8.161 -0.838 12.923 1.00 78.51 C +HETATM 69 O HYP A 12 -7.813 0.006 13.738 1.00 77.81 O +HETATM 70 CB HYP A 12 -10.624 -0.793 13.355 1.00 75.71 C +HETATM 71 CG HYP A 12 -11.726 -1.695 12.899 1.00 75.56 C +HETATM 72 CD HYP A 12 -11.047 -2.608 11.965 1.00 77.38 C +HETATM 73 OD1 HYP A 12 -12.802 -1.052 12.299 1.00 79.65 O +ATOM 74 N GLY A 13 -7.339 -1.293 11.980 1.00 80.44 N +ATOM 75 CA GLY A 13 -5.990 -0.779 11.864 1.00 78.46 C +ATOM 76 C GLY A 13 -5.816 0.149 10.686 1.00 79.23 C +ATOM 77 O GLY A 13 -6.725 0.323 9.868 1.00 77.39 O +ATOM 78 N PRO A 14 -4.653 0.741 10.575 1.00 80.23 N +ATOM 79 CA PRO A 14 -4.372 1.672 9.497 1.00 79.87 C +ATOM 80 C PRO A 14 -4.151 0.946 8.173 1.00 79.40 C +ATOM 81 O PRO A 14 -3.943 -0.263 8.137 1.00 76.54 O +ATOM 82 CB PRO A 14 -3.097 2.371 9.961 1.00 77.03 C +ATOM 83 CG PRO A 14 -2.407 1.336 10.779 1.00 75.54 C +ATOM 84 CD PRO A 14 -3.507 0.584 11.475 1.00 76.13 C +HETATM 85 N HYP A 15 -4.188 1.720 7.090 1.00 76.59 N +HETATM 86 CA HYP A 15 -3.852 1.166 5.816 1.00 81.25 C +HETATM 87 C HYP A 15 -2.471 0.613 5.798 1.00 82.19 C +HETATM 88 O HYP A 15 -1.619 1.072 6.586 1.00 81.59 O +HETATM 89 CB HYP A 15 -3.955 2.413 4.914 1.00 77.61 C +HETATM 90 CG HYP A 15 -4.988 3.216 5.618 1.00 72.85 C +HETATM 91 CD HYP A 15 -4.634 3.028 7.078 1.00 76.50 C +HETATM 92 OD1 HYP A 15 -6.262 2.700 5.372 1.00 74.29 O +ATOM 93 N GLY A 16 -2.299 -0.385 4.996 1.00 80.93 N +ATOM 94 CA GLY A 16 -0.990 -0.958 4.835 1.00 79.08 C +ATOM 95 C GLY A 16 -0.032 0.016 4.187 1.00 80.00 C +ATOM 96 O GLY A 16 -0.412 1.106 3.765 1.00 78.93 O +ATOM 97 N PRO A 17 1.223 -0.376 4.104 1.00 80.84 N +ATOM 98 CA PRO A 17 2.232 0.496 3.514 1.00 80.67 C +ATOM 99 C PRO A 17 2.073 0.592 2.013 1.00 80.82 C +ATOM 100 O PRO A 17 1.447 -0.255 1.381 1.00 78.68 O +ATOM 101 CB PRO A 17 3.546 -0.185 3.889 1.00 77.86 C +ATOM 102 CG PRO A 17 3.180 -1.619 3.986 1.00 75.89 C +ATOM 103 CD PRO A 17 1.786 -1.647 4.549 1.00 76.44 C +HETATM 104 N HYP A 18 2.619 1.640 1.426 1.00 77.65 N +HETATM 105 CA HYP A 18 2.658 1.745 0.020 1.00 83.29 C +HETATM 106 C HYP A 18 3.365 0.603 -0.631 1.00 82.58 C +HETATM 107 O HYP A 18 4.265 -0.007 -0.036 1.00 82.35 O +HETATM 108 CB HYP A 18 3.485 3.026 -0.153 1.00 79.99 C +HETATM 109 CG HYP A 18 3.250 3.791 1.123 1.00 76.56 C +HETATM 110 CD HYP A 18 3.225 2.704 2.144 1.00 78.93 C +HETATM 111 OD1 HYP A 18 1.989 4.409 1.116 1.00 79.32 O +ATOM 112 N GLY A 19 2.915 0.258 -1.804 1.00 78.02 N +ATOM 113 CA GLY A 19 3.557 -0.779 -2.562 1.00 76.75 C +ATOM 114 C GLY A 19 4.950 -0.360 -2.998 1.00 76.02 C +ATOM 115 O GLY A 19 5.376 0.777 -2.799 1.00 74.15 O +ATOM 116 N PRO A 20 5.662 -1.286 -3.597 1.00 75.42 N +ATOM 117 CA PRO A 20 7.007 -0.981 -4.060 1.00 75.56 C +ATOM 118 C PRO A 20 6.981 -0.082 -5.283 1.00 75.11 C +ATOM 119 O PRO A 20 5.966 0.046 -5.956 1.00 73.52 O +ATOM 120 CB PRO A 20 7.580 -2.356 -4.399 1.00 73.15 C +ATOM 121 CG PRO A 20 6.375 -3.142 -4.801 1.00 70.39 C +ATOM 122 CD PRO A 20 5.266 -2.654 -3.909 1.00 71.22 C +HETATM 123 N HYP A 21 8.118 0.538 -5.549 1.00 79.65 N +HETATM 124 CA HYP A 21 8.227 1.324 -6.750 1.00 82.86 C +HETATM 125 C HYP A 21 7.970 0.499 -7.993 1.00 79.99 C +HETATM 126 O HYP A 21 8.301 -0.687 -8.040 1.00 78.67 O +HETATM 127 CB HYP A 21 9.702 1.679 -6.712 1.00 77.61 C +HETATM 128 CG HYP A 21 10.043 1.685 -5.264 1.00 74.48 C +HETATM 129 CD HYP A 21 9.279 0.526 -4.735 1.00 78.39 C +HETATM 130 OD1 HYP A 21 9.533 2.849 -4.629 1.00 76.75 O +ATOM 131 N GLY A 22 7.301 1.104 -8.931 1.00 76.62 N +ATOM 132 CA GLY A 22 7.116 0.468 -10.203 1.00 73.09 C +ATOM 133 C GLY A 22 8.434 0.407 -10.954 1.00 72.52 C +ATOM 134 O GLY A 22 9.406 1.074 -10.591 1.00 70.31 O +ATOM 135 N PRO A 23 8.488 -0.360 -12.014 1.00 74.00 N +ATOM 136 CA PRO A 23 9.698 -0.455 -12.817 1.00 75.46 C +ATOM 137 C PRO A 23 9.842 0.778 -13.710 1.00 74.74 C +ATOM 138 O PRO A 23 9.138 0.908 -14.700 1.00 71.82 O +ATOM 139 CB PRO A 23 9.486 -1.735 -13.619 1.00 71.76 C +ATOM 140 CG PRO A 23 8.009 -1.874 -13.725 1.00 67.46 C +ATOM 141 CD PRO A 23 7.440 -1.267 -12.466 1.00 67.26 C +HETATM 142 N HYP A 24 10.724 1.742 -13.329 1.00 77.38 N +HETATM 143 CA HYP A 24 10.622 3.118 -13.668 1.00 76.83 C +HETATM 144 C HYP A 24 9.511 3.831 -13.759 1.00 72.75 C +HETATM 145 O HYP A 24 9.354 5.067 -13.772 1.00 71.75 O +HETATM 146 CB HYP A 24 11.949 3.733 -13.915 1.00 71.73 C +HETATM 147 CG HYP A 24 12.871 2.550 -13.975 1.00 71.02 C +HETATM 148 CD HYP A 24 12.053 1.356 -13.409 1.00 74.58 C +HETATM 149 OD1 HYP A 24 14.053 2.741 -13.231 1.00 75.20 O +HETATM 150 OXT HYP A 24 8.512 3.273 -14.301 1.00 74.07 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_206.txt b/protein_pdb_206.txt new file mode 100644 index 0000000000000000000000000000000000000000..2b7138daa1002b7c05ce70e83f95796e95620945 --- /dev/null +++ b/protein_pdb_206.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 10.042 2.384 -11.299 1.00 85.11 N +ATOM 2 CA GLY A 1 10.119 3.336 -10.205 1.00 86.44 C +ATOM 3 C GLY A 1 9.994 2.651 -8.876 1.00 87.43 C +ATOM 4 O GLY A 1 9.828 1.435 -8.809 1.00 84.47 O +ATOM 5 N PRO A 2 10.038 3.397 -7.763 1.00 85.01 N +ATOM 6 CA PRO A 2 9.941 2.814 -6.437 1.00 86.49 C +ATOM 7 C PRO A 2 8.540 2.299 -6.144 1.00 86.23 C +ATOM 8 O PRO A 2 7.583 2.655 -6.817 1.00 83.60 O +ATOM 9 CB PRO A 2 10.305 3.976 -5.520 1.00 82.43 C +ATOM 10 CG PRO A 2 9.912 5.179 -6.292 1.00 79.01 C +ATOM 11 CD PRO A 2 10.192 4.844 -7.723 1.00 80.69 C +HETATM 12 N HYP A 3 8.463 1.473 -5.160 1.00 85.37 N +HETATM 13 CA HYP A 3 7.150 0.999 -4.691 1.00 87.05 C +HETATM 14 C HYP A 3 6.273 2.152 -4.304 1.00 87.05 C +HETATM 15 O HYP A 3 6.784 3.201 -3.829 1.00 90.38 O +HETATM 16 CB HYP A 3 7.512 0.139 -3.444 1.00 86.68 C +HETATM 17 CG HYP A 3 8.896 -0.401 -3.766 1.00 83.41 C +HETATM 18 CD HYP A 3 9.558 0.826 -4.450 1.00 87.15 C +HETATM 19 OD1 HYP A 3 8.765 -1.447 -4.680 1.00 87.37 O +ATOM 20 N GLY A 4 5.005 1.991 -4.585 1.00 90.20 N +ATOM 21 CA GLY A 4 4.053 2.992 -4.195 1.00 89.55 C +ATOM 22 C GLY A 4 3.931 3.087 -2.690 1.00 90.44 C +ATOM 23 O GLY A 4 4.449 2.254 -1.953 1.00 90.49 O +ATOM 24 N PRO A 5 3.241 4.118 -2.224 1.00 87.80 N +ATOM 25 CA PRO A 5 3.071 4.294 -0.789 1.00 87.88 C +ATOM 26 C PRO A 5 2.126 3.251 -0.211 1.00 87.51 C +ATOM 27 O PRO A 5 1.353 2.629 -0.929 1.00 86.50 O +ATOM 28 CB PRO A 5 2.488 5.702 -0.678 1.00 85.35 C +ATOM 29 CG PRO A 5 1.753 5.881 -1.957 1.00 82.86 C +ATOM 30 CD PRO A 5 2.568 5.165 -2.991 1.00 85.80 C +HETATM 31 N HYP A 6 2.224 3.094 1.096 1.00 89.69 N +HETATM 32 CA HYP A 6 1.281 2.205 1.771 1.00 93.95 C +HETATM 33 C HYP A 6 -0.129 2.664 1.608 1.00 91.66 C +HETATM 34 O HYP A 6 -0.403 3.897 1.508 1.00 91.56 O +HETATM 35 CB HYP A 6 1.739 2.366 3.264 1.00 87.93 C +HETATM 36 CG HYP A 6 3.196 2.725 3.162 1.00 86.04 C +HETATM 37 CD HYP A 6 3.226 3.655 1.969 1.00 88.06 C +HETATM 38 OD1 HYP A 6 3.943 1.558 2.876 1.00 87.94 O +ATOM 39 N GLY A 7 -1.011 1.714 1.474 1.00 92.61 N +ATOM 40 CA GLY A 7 -2.406 2.028 1.369 1.00 91.96 C +ATOM 41 C GLY A 7 -2.938 2.630 2.652 1.00 92.12 C +ATOM 42 O GLY A 7 -2.261 2.645 3.681 1.00 91.49 O +ATOM 43 N PRO A 8 -4.150 3.138 2.595 1.00 90.82 N +ATOM 44 CA PRO A 8 -4.749 3.711 3.791 1.00 90.66 C +ATOM 45 C PRO A 8 -5.161 2.625 4.767 1.00 90.41 C +ATOM 46 O PRO A 8 -5.248 1.455 4.418 1.00 88.53 O +ATOM 47 CB PRO A 8 -5.967 4.448 3.245 1.00 87.98 C +ATOM 48 CG PRO A 8 -6.338 3.654 2.047 1.00 86.68 C +ATOM 49 CD PRO A 8 -5.041 3.197 1.450 1.00 88.95 C +HETATM 50 N HYP A 9 -5.395 3.051 6.022 1.00 88.67 N +HETATM 51 CA HYP A 9 -5.898 2.126 6.986 1.00 89.99 C +HETATM 52 C HYP A 9 -7.226 1.564 6.592 1.00 89.25 C +HETATM 53 O HYP A 9 -8.042 2.232 5.930 1.00 88.24 O +HETATM 54 CB HYP A 9 -6.070 3.047 8.246 1.00 83.14 C +HETATM 55 CG HYP A 9 -5.060 4.108 8.074 1.00 82.68 C +HETATM 56 CD HYP A 9 -5.078 4.378 6.609 1.00 88.06 C +HETATM 57 OD1 HYP A 9 -3.791 3.596 8.435 1.00 84.37 O +ATOM 58 N GLY A 10 -7.463 0.322 6.894 1.00 90.53 N +ATOM 59 CA GLY A 10 -8.768 -0.262 6.678 1.00 87.63 C +ATOM 60 C GLY A 10 -9.778 0.348 7.632 1.00 88.35 C +ATOM 61 O GLY A 10 -9.469 1.263 8.395 1.00 86.07 O +ATOM 62 N LEU A 11 -10.982 -0.180 7.599 1.00 89.29 N +ATOM 63 CA LEU A 11 -12.003 0.300 8.522 1.00 91.26 C +ATOM 64 C LEU A 11 -11.460 0.276 9.946 1.00 91.23 C +ATOM 65 O LEU A 11 -11.598 1.238 10.700 1.00 89.33 O +ATOM 66 CB LEU A 11 -13.246 -0.585 8.399 1.00 89.17 C +ATOM 67 CG LEU A 11 -14.400 -0.210 9.305 1.00 83.66 C +ATOM 68 CD1 LEU A 11 -14.907 1.181 9.021 1.00 83.47 C +ATOM 69 CD2 LEU A 11 -15.526 -1.225 9.149 1.00 79.23 C +ATOM 70 N ILE A 12 -10.826 -0.834 10.290 1.00 92.30 N +ATOM 71 CA ILE A 12 -10.054 -0.997 11.517 1.00 93.51 C +ATOM 72 C ILE A 12 -8.879 -1.871 11.118 1.00 93.43 C +ATOM 73 O ILE A 12 -9.052 -3.054 10.843 1.00 90.05 O +ATOM 74 CB ILE A 12 -10.851 -1.672 12.651 1.00 91.56 C +ATOM 75 CG1 ILE A 12 -12.089 -0.845 13.022 1.00 87.67 C +ATOM 76 CG2 ILE A 12 -9.955 -1.872 13.870 1.00 85.00 C +ATOM 77 CD1 ILE A 12 -12.966 -1.510 14.057 1.00 79.20 C +ATOM 78 N GLY A 13 -7.697 -1.290 11.054 1.00 93.21 N +ATOM 79 CA GLY A 13 -6.558 -2.092 10.652 1.00 92.59 C +ATOM 80 C GLY A 13 -5.397 -1.243 10.206 1.00 92.94 C +ATOM 81 O GLY A 13 -5.501 -0.022 10.107 1.00 92.79 O +ATOM 82 N PRO A 14 -4.278 -1.897 9.943 1.00 91.53 N +ATOM 83 CA PRO A 14 -3.070 -1.202 9.539 1.00 91.37 C +ATOM 84 C PRO A 14 -3.163 -0.701 8.111 1.00 91.61 C +ATOM 85 O PRO A 14 -4.061 -1.063 7.367 1.00 89.66 O +ATOM 86 CB PRO A 14 -1.994 -2.276 9.671 1.00 88.92 C +ATOM 87 CG PRO A 14 -2.724 -3.535 9.373 1.00 87.77 C +ATOM 88 CD PRO A 14 -4.084 -3.341 9.979 1.00 89.03 C +HETATM 89 N HYP A 15 -2.190 0.118 7.789 1.00 91.47 N +HETATM 90 CA HYP A 15 -2.071 0.545 6.408 1.00 92.96 C +HETATM 91 C HYP A 15 -1.921 -0.596 5.475 1.00 93.08 C +HETATM 92 O HYP A 15 -1.380 -1.660 5.866 1.00 92.84 O +HETATM 93 CB HYP A 15 -0.772 1.391 6.475 1.00 88.17 C +HETATM 94 CG HYP A 15 -0.705 1.873 7.911 1.00 86.62 C +HETATM 95 CD HYP A 15 -1.228 0.692 8.688 1.00 91.79 C +HETATM 96 OD1 HYP A 15 -1.562 2.977 8.089 1.00 88.69 O +ATOM 97 N GLY A 16 -2.409 -0.449 4.286 1.00 93.83 N +ATOM 98 CA GLY A 16 -2.244 -1.462 3.282 1.00 93.65 C +ATOM 99 C GLY A 16 -0.792 -1.617 2.884 1.00 94.14 C +ATOM 100 O GLY A 16 0.066 -0.827 3.276 1.00 93.79 O +ATOM 101 N PRO A 17 -0.512 -2.647 2.087 1.00 91.11 N +ATOM 102 CA PRO A 17 0.855 -2.887 1.652 1.00 90.55 C +ATOM 103 C PRO A 17 1.310 -1.838 0.654 1.00 91.43 C +ATOM 104 O PRO A 17 0.503 -1.138 0.054 1.00 89.92 O +ATOM 105 CB PRO A 17 0.783 -4.271 1.018 1.00 88.50 C +ATOM 106 CG PRO A 17 -0.616 -4.368 0.533 1.00 87.23 C +ATOM 107 CD PRO A 17 -1.442 -3.631 1.546 1.00 88.64 C +HETATM 108 N HYP A 18 2.615 -1.747 0.486 1.00 87.09 N +HETATM 109 CA HYP A 18 3.163 -0.889 -0.515 1.00 90.96 C +HETATM 110 C HYP A 18 2.676 -1.237 -1.889 1.00 91.47 C +HETATM 111 O HYP A 18 2.412 -2.424 -2.184 1.00 88.77 O +HETATM 112 CB HYP A 18 4.677 -1.177 -0.409 1.00 86.53 C +HETATM 113 CG HYP A 18 4.860 -1.604 1.024 1.00 85.43 C +HETATM 114 CD HYP A 18 3.613 -2.429 1.274 1.00 89.08 C +HETATM 115 OD1 HYP A 18 4.841 -0.458 1.884 1.00 86.88 O +ATOM 116 N GLY A 19 2.501 -0.239 -2.705 1.00 89.54 N +ATOM 117 CA GLY A 19 2.120 -0.454 -4.073 1.00 89.77 C +ATOM 118 C GLY A 19 3.239 -1.096 -4.866 1.00 90.24 C +ATOM 119 O GLY A 19 4.372 -1.206 -4.408 1.00 90.71 O +ATOM 120 N PRO A 20 2.918 -1.533 -6.073 1.00 82.00 N +ATOM 121 CA PRO A 20 3.920 -2.153 -6.917 1.00 82.17 C +ATOM 122 C PRO A 20 4.907 -1.124 -7.440 1.00 82.24 C +ATOM 123 O PRO A 20 4.661 0.074 -7.395 1.00 82.94 O +ATOM 124 CB PRO A 20 3.094 -2.759 -8.048 1.00 79.91 C +ATOM 125 CG PRO A 20 1.911 -1.857 -8.138 1.00 78.11 C +ATOM 126 CD PRO A 20 1.616 -1.439 -6.729 1.00 80.23 C +HETATM 127 N HYP A 21 6.062 -1.630 -7.922 1.00 86.36 N +HETATM 128 CA HYP A 21 6.995 -0.759 -8.557 1.00 89.29 C +HETATM 129 C HYP A 21 6.416 0.036 -9.707 1.00 85.05 C +HETATM 130 O HYP A 21 5.532 -0.469 -10.394 1.00 90.25 O +HETATM 131 CB HYP A 21 8.097 -1.718 -9.064 1.00 84.88 C +HETATM 132 CG HYP A 21 8.041 -2.863 -8.092 1.00 80.08 C +HETATM 133 CD HYP A 21 6.567 -3.011 -7.816 1.00 85.94 C +HETATM 134 OD1 HYP A 21 8.678 -2.484 -6.866 1.00 81.99 O +ATOM 135 N GLY A 22 6.814 1.271 -9.826 1.00 87.74 N +ATOM 136 CA GLY A 22 6.364 2.095 -10.910 1.00 85.75 C +ATOM 137 C GLY A 22 6.913 1.613 -12.242 1.00 85.64 C +ATOM 138 O GLY A 22 7.676 0.651 -12.303 1.00 85.66 O +ATOM 139 N PRO A 23 6.543 2.295 -13.324 1.00 89.00 N +ATOM 140 CA PRO A 23 7.016 1.902 -14.641 1.00 88.65 C +ATOM 141 C PRO A 23 8.508 2.115 -14.768 1.00 87.20 C +ATOM 142 O PRO A 23 9.114 2.876 -14.024 1.00 83.37 O +ATOM 143 CB PRO A 23 6.228 2.791 -15.586 1.00 84.87 C +ATOM 144 CG PRO A 23 5.912 3.987 -14.772 1.00 82.45 C +ATOM 145 CD PRO A 23 5.705 3.480 -13.374 1.00 85.16 C +HETATM 146 N HYP A 24 9.127 1.496 -15.657 1.00 90.87 N +HETATM 147 CA HYP A 24 10.570 1.589 -15.813 1.00 85.83 C +HETATM 148 C HYP A 24 11.148 2.836 -15.288 1.00 88.25 C +HETATM 149 O HYP A 24 11.603 3.729 -16.032 1.00 86.02 O +HETATM 150 CB HYP A 24 10.866 1.279 -17.224 1.00 85.66 C +HETATM 151 CG HYP A 24 9.601 0.759 -17.829 1.00 86.99 C +HETATM 152 CD HYP A 24 8.489 1.064 -16.838 1.00 90.43 C +HETATM 153 OD1 HYP A 24 9.640 -0.654 -17.929 1.00 85.35 O +HETATM 154 OXT HYP A 24 11.260 2.912 -14.054 1.00 83.31 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_207.txt b/protein_pdb_207.txt new file mode 100644 index 0000000000000000000000000000000000000000..705c4d2b7d7102c0e6d37e9ecf5e7ed94c93b877 --- /dev/null +++ b/protein_pdb_207.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 6.737 -7.598 -10.788 1.00 91.04 N +ATOM 2 CA GLY A 1 6.136 -6.300 -10.858 1.00 91.50 C +ATOM 3 C GLY A 1 6.610 -5.361 -9.775 1.00 92.00 C +ATOM 4 O GLY A 1 7.197 -5.784 -8.785 1.00 90.00 O +ATOM 5 N PRO A 2 6.333 -4.160 -9.948 1.00 89.11 N +ATOM 6 CA PRO A 2 6.715 -3.165 -8.965 1.00 89.97 C +ATOM 7 C PRO A 2 5.844 -3.229 -7.728 1.00 89.71 C +ATOM 8 O PRO A 2 4.781 -3.848 -7.728 1.00 87.70 O +ATOM 9 CB PRO A 2 6.517 -1.849 -9.718 1.00 87.01 C +ATOM 10 CG PRO A 2 5.427 -2.156 -10.670 1.00 83.65 C +ATOM 11 CD PRO A 2 5.668 -3.572 -11.104 1.00 85.63 C +HETATM 12 N HYP A 3 6.329 -2.599 -6.693 1.00 89.37 N +HETATM 13 CA HYP A 3 5.521 -2.537 -5.468 1.00 88.05 C +HETATM 14 C HYP A 3 4.228 -1.808 -5.707 1.00 89.67 C +HETATM 15 O HYP A 3 4.154 -0.934 -6.593 1.00 91.56 O +HETATM 16 CB HYP A 3 6.440 -1.660 -4.537 1.00 87.95 C +HETATM 17 CG HYP A 3 7.834 -1.934 -5.048 1.00 84.60 C +HETATM 18 CD HYP A 3 7.621 -2.009 -6.577 1.00 88.82 C +HETATM 19 OD1 HYP A 3 8.240 -3.177 -4.587 1.00 85.88 O +ATOM 20 N GLY A 4 3.209 -2.246 -4.996 1.00 92.64 N +ATOM 21 CA GLY A 4 1.927 -1.615 -5.111 1.00 92.25 C +ATOM 22 C GLY A 4 1.954 -0.200 -4.567 1.00 92.92 C +ATOM 23 O GLY A 4 2.921 0.221 -3.932 1.00 93.27 O +ATOM 24 N PRO A 5 0.887 0.545 -4.810 1.00 91.31 N +ATOM 25 CA PRO A 5 0.811 1.916 -4.331 1.00 91.37 C +ATOM 26 C PRO A 5 0.603 1.977 -2.831 1.00 91.20 C +ATOM 27 O PRO A 5 0.214 0.996 -2.201 1.00 90.04 O +ATOM 28 CB PRO A 5 -0.381 2.486 -5.088 1.00 89.67 C +ATOM 29 CG PRO A 5 -1.255 1.299 -5.296 1.00 88.18 C +ATOM 30 CD PRO A 5 -0.315 0.158 -5.540 1.00 90.23 C +HETATM 31 N HYP A 6 0.888 3.155 -2.280 1.00 91.37 N +HETATM 32 CA HYP A 6 0.615 3.350 -0.870 1.00 92.65 C +HETATM 33 C HYP A 6 -0.833 3.160 -0.550 1.00 92.19 C +HETATM 34 O HYP A 6 -1.718 3.447 -1.392 1.00 91.67 O +HETATM 35 CB HYP A 6 1.011 4.848 -0.689 1.00 86.92 C +HETATM 36 CG HYP A 6 2.039 5.083 -1.754 1.00 86.46 C +HETATM 37 CD HYP A 6 1.474 4.298 -2.933 1.00 89.87 C +HETATM 38 OD1 HYP A 6 3.259 4.506 -1.353 1.00 87.04 O +ATOM 39 N GLY A 7 -1.078 2.621 0.610 1.00 92.41 N +ATOM 40 CA GLY A 7 -2.429 2.439 1.053 1.00 91.56 C +ATOM 41 C GLY A 7 -3.118 3.761 1.283 1.00 92.10 C +ATOM 42 O GLY A 7 -2.493 4.824 1.253 1.00 91.98 O +ATOM 43 N PRO A 8 -4.406 3.713 1.511 1.00 90.80 N +ATOM 44 CA PRO A 8 -5.158 4.937 1.747 1.00 90.46 C +ATOM 45 C PRO A 8 -4.853 5.521 3.112 1.00 90.61 C +ATOM 46 O PRO A 8 -4.389 4.833 4.012 1.00 89.05 O +ATOM 47 CB PRO A 8 -6.607 4.486 1.646 1.00 88.18 C +ATOM 48 CG PRO A 8 -6.561 3.074 2.104 1.00 86.79 C +ATOM 49 CD PRO A 8 -5.259 2.530 1.576 1.00 88.68 C +HETATM 50 N HYP A 9 -5.133 6.811 3.257 1.00 90.48 N +HETATM 51 CA HYP A 9 -4.992 7.440 4.530 1.00 88.79 C +HETATM 52 C HYP A 9 -5.973 6.877 5.516 1.00 90.59 C +HETATM 53 O HYP A 9 -7.082 6.446 5.131 1.00 90.10 O +HETATM 54 CB HYP A 9 -5.387 8.928 4.227 1.00 84.33 C +HETATM 55 CG HYP A 9 -5.140 9.095 2.775 1.00 83.69 C +HETATM 56 CD HYP A 9 -5.502 7.777 2.179 1.00 88.90 C +HETATM 57 OD1 HYP A 9 -3.762 9.309 2.576 1.00 82.96 O +ATOM 58 N GLY A 10 -5.621 6.791 6.742 1.00 90.98 N +ATOM 59 CA GLY A 10 -6.577 6.438 7.759 1.00 88.05 C +ATOM 60 C GLY A 10 -7.559 7.575 7.947 1.00 88.14 C +ATOM 61 O GLY A 10 -7.468 8.616 7.295 1.00 86.14 O +ATOM 62 N VAL A 11 -8.498 7.391 8.854 1.00 88.84 N +ATOM 63 CA VAL A 11 -9.416 8.480 9.164 1.00 90.03 C +ATOM 64 C VAL A 11 -8.610 9.721 9.520 1.00 89.74 C +ATOM 65 O VAL A 11 -8.894 10.828 9.058 1.00 87.77 O +ATOM 66 CB VAL A 11 -10.361 8.085 10.305 1.00 87.64 C +ATOM 67 CG1 VAL A 11 -11.253 9.246 10.669 1.00 80.72 C +ATOM 68 CG2 VAL A 11 -11.201 6.884 9.892 1.00 81.56 C +ATOM 69 N ILE A 12 -7.590 9.507 10.331 1.00 90.37 N +ATOM 70 CA ILE A 12 -6.596 10.525 10.656 1.00 91.40 C +ATOM 71 C ILE A 12 -5.274 9.788 10.675 1.00 91.45 C +ATOM 72 O ILE A 12 -5.019 8.997 11.578 1.00 87.48 O +ATOM 73 CB ILE A 12 -6.834 11.183 12.027 1.00 89.50 C +ATOM 74 CG1 ILE A 12 -8.246 11.765 12.133 1.00 85.02 C +ATOM 75 CG2 ILE A 12 -5.801 12.280 12.248 1.00 81.72 C +ATOM 76 CD1 ILE A 12 -8.562 12.297 13.518 1.00 75.36 C +ATOM 77 N GLY A 13 -4.442 10.017 9.677 1.00 93.32 N +ATOM 78 CA GLY A 13 -3.172 9.328 9.673 1.00 92.77 C +ATOM 79 C GLY A 13 -2.566 9.234 8.297 1.00 93.61 C +ATOM 80 O GLY A 13 -3.190 9.599 7.300 1.00 93.72 O +ATOM 81 N PRO A 14 -1.342 8.755 8.241 1.00 93.63 N +ATOM 82 CA PRO A 14 -0.621 8.656 6.987 1.00 93.17 C +ATOM 83 C PRO A 14 -1.123 7.517 6.117 1.00 93.42 C +ATOM 84 O PRO A 14 -1.850 6.644 6.570 1.00 91.91 O +ATOM 85 CB PRO A 14 0.819 8.403 7.434 1.00 91.77 C +ATOM 86 CG PRO A 14 0.654 7.637 8.696 1.00 90.91 C +ATOM 87 CD PRO A 14 -0.547 8.254 9.360 1.00 92.16 C +HETATM 88 N HYP A 15 -0.687 7.585 4.898 1.00 92.68 N +HETATM 89 CA HYP A 15 -0.969 6.479 3.979 1.00 93.75 C +HETATM 90 C HYP A 15 -0.376 5.199 4.452 1.00 94.15 C +HETATM 91 O HYP A 15 0.637 5.217 5.180 1.00 92.60 O +HETATM 92 CB HYP A 15 -0.245 6.963 2.696 1.00 89.51 C +HETATM 93 CG HYP A 15 -0.232 8.470 2.824 1.00 88.48 C +HETATM 94 CD HYP A 15 0.015 8.693 4.298 1.00 91.42 C +HETATM 95 OD1 HYP A 15 -1.483 8.988 2.467 1.00 89.09 O +ATOM 96 N GLY A 16 -1.006 4.134 4.114 1.00 94.84 N +ATOM 97 CA GLY A 16 -0.469 2.846 4.436 1.00 94.29 C +ATOM 98 C GLY A 16 0.785 2.561 3.643 1.00 94.83 C +ATOM 99 O GLY A 16 1.165 3.329 2.758 1.00 94.60 O +ATOM 100 N PRO A 17 1.443 1.450 3.960 1.00 91.22 N +ATOM 101 CA PRO A 17 2.665 1.102 3.259 1.00 90.46 C +ATOM 102 C PRO A 17 2.386 0.646 1.844 1.00 91.12 C +ATOM 103 O PRO A 17 1.264 0.276 1.504 1.00 89.75 O +ATOM 104 CB PRO A 17 3.244 -0.025 4.107 1.00 88.86 C +ATOM 105 CG PRO A 17 2.046 -0.652 4.713 1.00 87.92 C +ATOM 106 CD PRO A 17 1.096 0.475 4.982 1.00 88.86 C +HETATM 107 N HYP A 18 3.416 0.698 1.002 1.00 87.25 N +HETATM 108 CA HYP A 18 3.309 0.161 -0.304 1.00 86.27 C +HETATM 109 C HYP A 18 2.950 -1.288 -0.308 1.00 88.85 C +HETATM 110 O HYP A 18 3.289 -2.017 0.637 1.00 88.14 O +HETATM 111 CB HYP A 18 4.749 0.350 -0.868 1.00 84.64 C +HETATM 112 CG HYP A 18 5.270 1.539 -0.118 1.00 84.13 C +HETATM 113 CD HYP A 18 4.695 1.318 1.267 1.00 88.83 C +HETATM 114 OD1 HYP A 18 4.727 2.731 -0.672 1.00 85.64 O +ATOM 115 N GLY A 19 2.206 -1.688 -1.292 1.00 87.92 N +ATOM 116 CA GLY A 19 1.866 -3.071 -1.442 1.00 87.66 C +ATOM 117 C GLY A 19 3.085 -3.902 -1.783 1.00 88.42 C +ATOM 118 O GLY A 19 4.151 -3.375 -2.079 1.00 89.32 O +ATOM 119 N PRO A 20 2.927 -5.212 -1.738 1.00 80.71 N +ATOM 120 CA PRO A 20 4.036 -6.095 -2.061 1.00 81.28 C +ATOM 121 C PRO A 20 4.353 -6.056 -3.543 1.00 80.51 C +ATOM 122 O PRO A 20 3.535 -5.629 -4.357 1.00 82.36 O +ATOM 123 CB PRO A 20 3.526 -7.463 -1.631 1.00 79.30 C +ATOM 124 CG PRO A 20 2.053 -7.356 -1.788 1.00 76.51 C +ATOM 125 CD PRO A 20 1.716 -5.941 -1.410 1.00 77.87 C +HETATM 126 N HYP A 21 5.562 -6.500 -3.857 1.00 84.96 N +HETATM 127 CA HYP A 21 5.908 -6.607 -5.243 1.00 85.39 C +HETATM 128 C HYP A 21 4.982 -7.500 -6.019 1.00 83.39 C +HETATM 129 O HYP A 21 4.491 -8.491 -5.486 1.00 88.23 O +HETATM 130 CB HYP A 21 7.323 -7.221 -5.214 1.00 83.31 C +HETATM 131 CG HYP A 21 7.870 -6.832 -3.880 1.00 78.95 C +HETATM 132 CD HYP A 21 6.668 -6.900 -2.974 1.00 86.56 C +HETATM 133 OD1 HYP A 21 8.308 -5.469 -3.912 1.00 80.20 O +ATOM 134 N GLY A 22 4.640 -7.095 -7.213 1.00 85.54 N +ATOM 135 CA GLY A 22 3.831 -7.905 -8.068 1.00 83.18 C +ATOM 136 C GLY A 22 4.633 -9.082 -8.596 1.00 82.80 C +ATOM 137 O GLY A 22 5.833 -9.190 -8.349 1.00 83.22 O +ATOM 138 N PRO A 23 3.981 -9.969 -9.334 1.00 88.03 N +ATOM 139 CA PRO A 23 4.692 -11.104 -9.905 1.00 88.28 C +ATOM 140 C PRO A 23 5.625 -10.635 -11.005 1.00 86.94 C +ATOM 141 O PRO A 23 5.194 -10.003 -11.963 1.00 84.14 O +ATOM 142 CB PRO A 23 3.573 -11.988 -10.445 1.00 85.08 C +ATOM 143 CG PRO A 23 2.480 -11.032 -10.744 1.00 81.80 C +ATOM 144 CD PRO A 23 2.580 -9.963 -9.694 1.00 85.09 C +HETATM 145 N HYP A 24 6.831 -10.814 -10.861 1.00 93.19 N +HETATM 146 CA HYP A 24 7.850 -10.116 -11.710 1.00 88.41 C +HETATM 147 C HYP A 24 7.866 -8.742 -11.800 1.00 91.26 C +HETATM 148 O HYP A 24 8.863 -7.963 -11.433 1.00 91.88 O +HETATM 149 CB HYP A 24 8.872 -11.030 -12.021 1.00 87.33 C +HETATM 150 CG HYP A 24 8.241 -12.399 -11.786 1.00 85.98 C +HETATM 151 CD HYP A 24 7.090 -12.171 -10.765 1.00 91.11 C +HETATM 152 OD1 HYP A 24 9.145 -13.303 -11.269 1.00 87.32 O +HETATM 153 OXT HYP A 24 7.194 -8.140 -12.740 1.00 88.52 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_208.txt b/protein_pdb_208.txt new file mode 100644 index 0000000000000000000000000000000000000000..e8d2920245f7f6ce3815e9869dbdea56d55595c1 --- /dev/null +++ b/protein_pdb_208.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 20.347 -27.947 -5.272 1.00 88.01 N +ATOM 2 CA GLY A 1 20.810 -26.738 -5.949 1.00 90.54 C +ATOM 3 C GLY A 1 20.606 -25.508 -5.098 1.00 90.63 C +ATOM 4 O GLY A 1 19.960 -25.575 -4.052 1.00 88.57 O +ATOM 5 N PRO A 2 21.126 -24.364 -5.498 1.00 90.61 N +ATOM 6 CA PRO A 2 20.974 -23.125 -4.729 1.00 92.79 C +ATOM 7 C PRO A 2 19.535 -22.622 -4.769 1.00 92.73 C +ATOM 8 O PRO A 2 18.790 -22.906 -5.700 1.00 92.37 O +ATOM 9 CB PRO A 2 21.935 -22.152 -5.407 1.00 90.85 C +ATOM 10 CG PRO A 2 21.977 -22.639 -6.813 1.00 86.47 C +ATOM 11 CD PRO A 2 21.927 -24.149 -6.701 1.00 87.62 C +HETATM 12 N HYP A 3 19.184 -21.945 -3.807 1.00 89.87 N +HETATM 13 CA HYP A 3 17.834 -21.258 -3.705 1.00 89.65 C +HETATM 14 C HYP A 3 17.587 -20.263 -4.836 1.00 85.75 C +HETATM 15 O HYP A 3 18.521 -19.598 -5.322 1.00 90.01 O +HETATM 16 CB HYP A 3 17.975 -20.519 -2.368 1.00 88.48 C +HETATM 17 CG HYP A 3 19.011 -21.307 -1.563 1.00 86.41 C +HETATM 18 CD HYP A 3 20.030 -21.728 -2.648 1.00 88.29 C +HETATM 19 OD1 HYP A 3 18.435 -22.445 -0.997 1.00 89.17 O +ATOM 20 N GLY A 4 16.330 -20.154 -5.277 1.00 91.70 N +ATOM 21 CA GLY A 4 15.972 -19.215 -6.303 1.00 90.85 C +ATOM 22 C GLY A 4 15.925 -17.800 -5.747 1.00 90.64 C +ATOM 23 O GLY A 4 15.991 -17.594 -4.535 1.00 91.39 O +ATOM 24 N PRO A 5 15.800 -16.804 -6.609 1.00 92.50 N +ATOM 25 CA PRO A 5 15.763 -15.413 -6.152 1.00 92.98 C +ATOM 26 C PRO A 5 14.450 -15.097 -5.450 1.00 92.71 C +ATOM 27 O PRO A 5 13.432 -15.732 -5.700 1.00 92.83 O +ATOM 28 CB PRO A 5 15.921 -14.611 -7.442 1.00 91.10 C +ATOM 29 CG PRO A 5 15.311 -15.502 -8.471 1.00 88.05 C +ATOM 30 CD PRO A 5 15.733 -16.898 -8.058 1.00 90.44 C +HETATM 31 N HYP A 6 14.504 -14.121 -4.573 1.00 87.69 N +HETATM 32 CA HYP A 6 13.249 -13.612 -3.923 1.00 93.75 C +HETATM 33 C HYP A 6 12.276 -13.046 -4.916 1.00 87.36 C +HETATM 34 O HYP A 6 12.654 -12.543 -6.002 1.00 88.38 O +HETATM 35 CB HYP A 6 13.828 -12.465 -3.044 1.00 87.55 C +HETATM 36 CG HYP A 6 15.263 -12.848 -2.748 1.00 87.08 C +HETATM 37 CD HYP A 6 15.684 -13.495 -4.049 1.00 87.96 C +HETATM 38 OD1 HYP A 6 15.327 -13.773 -1.698 1.00 87.73 O +ATOM 39 N GLY A 7 10.968 -13.114 -4.598 1.00 94.01 N +ATOM 40 CA GLY A 7 9.932 -12.577 -5.445 1.00 93.06 C +ATOM 41 C GLY A 7 9.926 -11.054 -5.415 1.00 93.32 C +ATOM 42 O GLY A 7 10.666 -10.438 -4.643 1.00 93.27 O +ATOM 43 N PRO A 8 9.084 -10.435 -6.233 1.00 92.72 N +ATOM 44 CA PRO A 8 9.016 -8.978 -6.274 1.00 93.16 C +ATOM 45 C PRO A 8 8.401 -8.408 -5.000 1.00 92.91 C +ATOM 46 O PRO A 8 7.645 -9.080 -4.310 1.00 92.28 O +ATOM 47 CB PRO A 8 8.148 -8.691 -7.497 1.00 91.69 C +ATOM 48 CG PRO A 8 7.281 -9.895 -7.585 1.00 90.85 C +ATOM 49 CD PRO A 8 8.179 -11.050 -7.186 1.00 92.69 C +HETATM 50 N HYP A 9 8.713 -7.174 -4.676 1.00 87.97 N +HETATM 51 CA HYP A 9 8.112 -6.467 -3.539 1.00 91.69 C +HETATM 52 C HYP A 9 6.650 -6.298 -3.679 1.00 90.05 C +HETATM 53 O HYP A 9 6.138 -6.138 -4.795 1.00 88.50 O +HETATM 54 CB HYP A 9 8.851 -5.096 -3.598 1.00 88.53 C +HETATM 55 CG HYP A 9 10.152 -5.373 -4.275 1.00 86.44 C +HETATM 56 CD HYP A 9 9.786 -6.407 -5.283 1.00 89.15 C +HETATM 57 OD1 HYP A 9 11.081 -5.905 -3.362 1.00 86.38 O +ATOM 58 N GLY A 10 5.916 -6.264 -2.535 1.00 90.36 N +ATOM 59 CA GLY A 10 4.487 -6.072 -2.516 1.00 88.07 C +ATOM 60 C GLY A 10 4.108 -4.698 -3.047 1.00 88.33 C +ATOM 61 O GLY A 10 4.921 -3.772 -3.068 1.00 86.42 O +ATOM 62 N GLN A 11 2.847 -4.564 -3.464 1.00 88.59 N +ATOM 63 CA GLN A 11 2.340 -3.305 -4.003 1.00 88.71 C +ATOM 64 C GLN A 11 1.847 -2.404 -2.873 1.00 88.05 C +ATOM 65 O GLN A 11 1.290 -2.872 -1.888 1.00 85.20 O +ATOM 66 CB GLN A 11 1.193 -3.570 -4.974 1.00 85.51 C +ATOM 67 CG GLN A 11 1.603 -4.379 -6.201 1.00 82.19 C +ATOM 68 CD GLN A 11 2.562 -3.619 -7.089 1.00 78.16 C +ATOM 69 OE1 GLN A 11 2.369 -2.442 -7.356 1.00 74.57 O +ATOM 70 NE2 GLN A 11 3.599 -4.291 -7.553 1.00 72.40 N +ATOM 71 N VAL A 12 2.043 -1.098 -3.038 1.00 86.38 N +ATOM 72 CA VAL A 12 1.537 -0.134 -2.071 1.00 86.41 C +ATOM 73 C VAL A 12 0.025 -0.099 -2.228 1.00 86.68 C +ATOM 74 O VAL A 12 -0.487 -0.020 -3.347 1.00 83.18 O +ATOM 75 CB VAL A 12 2.137 1.269 -2.314 1.00 83.83 C +ATOM 76 CG1 VAL A 12 1.510 2.287 -1.376 1.00 78.36 C +ATOM 77 CG2 VAL A 12 3.639 1.236 -2.119 1.00 78.59 C +ATOM 78 N GLY A 13 -0.674 -0.176 -1.097 1.00 87.26 N +ATOM 79 CA GLY A 13 -2.123 -0.185 -1.140 1.00 86.21 C +ATOM 80 C GLY A 13 -2.717 1.136 -1.576 1.00 86.34 C +ATOM 81 O GLY A 13 -2.013 2.143 -1.706 1.00 86.61 O +ATOM 82 N PRO A 14 -4.048 1.174 -1.799 1.00 82.83 N +ATOM 83 CA PRO A 14 -4.725 2.396 -2.224 1.00 85.07 C +ATOM 84 C PRO A 14 -4.772 3.418 -1.092 1.00 84.11 C +ATOM 85 O PRO A 14 -4.601 3.077 0.072 1.00 84.10 O +ATOM 86 CB PRO A 14 -6.120 1.922 -2.605 1.00 83.31 C +ATOM 87 CG PRO A 14 -6.326 0.723 -1.747 1.00 82.24 C +ATOM 88 CD PRO A 14 -4.976 0.050 -1.702 1.00 82.03 C +HETATM 89 N HYP A 15 -5.034 4.699 -1.420 1.00 83.47 N +HETATM 90 CA HYP A 15 -5.170 5.751 -0.456 1.00 80.36 C +HETATM 91 C HYP A 15 -6.294 5.512 0.562 1.00 82.58 C +HETATM 92 O HYP A 15 -7.248 4.779 0.266 1.00 82.75 O +HETATM 93 CB HYP A 15 -5.487 6.946 -1.354 1.00 79.81 C +HETATM 94 CG HYP A 15 -4.817 6.592 -2.659 1.00 78.24 C +HETATM 95 CD HYP A 15 -5.077 5.136 -2.737 1.00 82.33 C +HETATM 96 OD1 HYP A 15 -3.449 6.842 -2.622 1.00 82.68 O +ATOM 97 N GLY A 16 -6.129 5.994 1.737 1.00 89.93 N +ATOM 98 CA GLY A 16 -7.134 5.842 2.751 1.00 88.35 C +ATOM 99 C GLY A 16 -8.380 6.647 2.427 1.00 88.54 C +ATOM 100 O GLY A 16 -8.401 7.420 1.466 1.00 89.18 O +ATOM 101 N PRO A 17 -9.438 6.485 3.229 1.00 83.31 N +ATOM 102 CA PRO A 17 -10.689 7.198 2.984 1.00 84.55 C +ATOM 103 C PRO A 17 -10.557 8.688 3.273 1.00 84.73 C +ATOM 104 O PRO A 17 -9.723 9.101 4.069 1.00 86.44 O +ATOM 105 CB PRO A 17 -11.674 6.521 3.927 1.00 84.05 C +ATOM 106 CG PRO A 17 -10.813 6.057 5.050 1.00 81.96 C +ATOM 107 CD PRO A 17 -9.536 5.602 4.386 1.00 80.28 C +HETATM 108 N HYP A 18 -11.358 9.510 2.664 1.00 83.49 N +HETATM 109 CA HYP A 18 -11.439 10.922 2.926 1.00 89.46 C +HETATM 110 C HYP A 18 -11.917 11.222 4.350 1.00 82.57 C +HETATM 111 O HYP A 18 -12.585 10.396 4.998 1.00 88.64 O +HETATM 112 CB HYP A 18 -12.547 11.365 1.944 1.00 84.69 C +HETATM 113 CG HYP A 18 -12.463 10.398 0.813 1.00 80.52 C +HETATM 114 CD HYP A 18 -12.138 9.121 1.525 1.00 85.03 C +HETATM 115 OD1 HYP A 18 -11.419 10.735 -0.071 1.00 85.53 O +ATOM 116 N GLY A 19 -11.554 12.365 4.862 1.00 90.84 N +ATOM 117 CA GLY A 19 -11.967 12.777 6.174 1.00 90.27 C +ATOM 118 C GLY A 19 -13.455 13.089 6.200 1.00 90.54 C +ATOM 119 O GLY A 19 -14.124 13.074 5.165 1.00 90.48 O +ATOM 120 N PRO A 20 -13.989 13.398 7.385 1.00 81.30 N +ATOM 121 CA PRO A 20 -15.407 13.690 7.511 1.00 82.47 C +ATOM 122 C PRO A 20 -15.769 15.021 6.855 1.00 81.54 C +ATOM 123 O PRO A 20 -14.926 15.896 6.699 1.00 81.86 O +ATOM 124 CB PRO A 20 -15.626 13.724 9.028 1.00 79.88 C +ATOM 125 CG PRO A 20 -14.293 14.138 9.562 1.00 76.89 C +ATOM 126 CD PRO A 20 -13.300 13.438 8.671 1.00 77.84 C +HETATM 127 N HYP A 21 -17.009 15.199 6.490 1.00 88.86 N +HETATM 128 CA HYP A 21 -17.521 16.428 5.900 1.00 89.49 C +HETATM 129 C HYP A 21 -17.501 17.635 6.843 1.00 85.05 C +HETATM 130 O HYP A 21 -17.581 17.445 8.058 1.00 88.90 O +HETATM 131 CB HYP A 21 -19.024 16.072 5.655 1.00 85.26 C +HETATM 132 CG HYP A 21 -19.047 14.588 5.491 1.00 83.30 C +HETATM 133 CD HYP A 21 -17.985 14.136 6.481 1.00 87.52 C +HETATM 134 OD1 HYP A 21 -18.649 14.225 4.192 1.00 87.43 O +ATOM 135 N GLY A 22 -17.299 18.800 6.337 1.00 88.34 N +ATOM 136 CA GLY A 22 -17.309 20.002 7.118 1.00 87.65 C +ATOM 137 C GLY A 22 -18.722 20.332 7.576 1.00 87.74 C +ATOM 138 O GLY A 22 -19.666 19.614 7.259 1.00 86.76 O +ATOM 139 N PRO A 23 -18.908 21.450 8.289 1.00 86.80 N +ATOM 140 CA PRO A 23 -20.234 21.824 8.768 1.00 88.05 C +ATOM 141 C PRO A 23 -21.137 22.229 7.617 1.00 87.20 C +ATOM 142 O PRO A 23 -20.665 22.639 6.558 1.00 84.09 O +ATOM 143 CB PRO A 23 -19.952 22.986 9.715 1.00 84.26 C +ATOM 144 CG PRO A 23 -18.694 23.576 9.175 1.00 81.87 C +ATOM 145 CD PRO A 23 -17.887 22.385 8.713 1.00 83.63 C +HETATM 146 N HYP A 24 -22.467 22.225 7.786 1.00 86.67 N +HETATM 147 CA HYP A 24 -23.349 22.548 6.709 1.00 86.53 C +HETATM 148 C HYP A 24 -23.122 23.838 6.055 1.00 84.85 C +HETATM 149 O HYP A 24 -23.157 24.877 6.724 1.00 82.47 O +HETATM 150 CB HYP A 24 -24.779 22.471 7.332 1.00 85.84 C +HETATM 151 CG HYP A 24 -24.617 21.691 8.575 1.00 82.72 C +HETATM 152 CD HYP A 24 -23.173 21.975 9.007 1.00 86.92 C +HETATM 153 OD1 HYP A 24 -24.735 20.325 8.294 1.00 82.53 O +HETATM 154 OXT HYP A 24 -22.885 23.778 4.830 1.00 81.51 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_209.txt b/protein_pdb_209.txt new file mode 100644 index 0000000000000000000000000000000000000000..f4b5df5eb8ee4639631ccea663b5fd03191553ff --- /dev/null +++ b/protein_pdb_209.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -6.601 15.152 -0.527 1.00 91.24 N +ATOM 2 CA GLY A 1 -6.808 13.990 -1.320 1.00 91.14 C +ATOM 3 C GLY A 1 -7.261 12.771 -0.550 1.00 91.52 C +ATOM 4 O GLY A 1 -7.208 12.741 0.677 1.00 89.98 O +ATOM 5 N PRO A 2 -7.670 11.765 -1.249 1.00 89.53 N +ATOM 6 CA PRO A 2 -8.133 10.537 -0.622 1.00 89.59 C +ATOM 7 C PRO A 2 -6.972 9.691 -0.120 1.00 89.21 C +ATOM 8 O PRO A 2 -5.829 9.891 -0.519 1.00 87.44 O +ATOM 9 CB PRO A 2 -8.871 9.847 -1.757 1.00 86.51 C +ATOM 10 CG PRO A 2 -8.150 10.301 -2.972 1.00 81.56 C +ATOM 11 CD PRO A 2 -7.784 11.734 -2.695 1.00 83.95 C +HETATM 12 N HYP A 3 -7.310 8.750 0.727 1.00 89.15 N +HETATM 13 CA HYP A 3 -6.282 7.839 1.215 1.00 88.75 C +HETATM 14 C HYP A 3 -5.726 6.971 0.071 1.00 91.29 C +HETATM 15 O HYP A 3 -6.452 6.695 -0.911 1.00 93.40 O +HETATM 16 CB HYP A 3 -7.120 6.916 2.194 1.00 89.96 C +HETATM 17 CG HYP A 3 -8.247 7.825 2.660 1.00 87.01 C +HETATM 18 CD HYP A 3 -8.584 8.624 1.375 1.00 89.76 C +HETATM 19 OD1 HYP A 3 -7.729 8.702 3.622 1.00 89.78 O +ATOM 20 N GLY A 4 -4.477 6.652 0.194 1.00 92.00 N +ATOM 21 CA GLY A 4 -3.849 5.826 -0.797 1.00 91.68 C +ATOM 22 C GLY A 4 -4.382 4.407 -0.755 1.00 92.71 C +ATOM 23 O GLY A 4 -5.125 4.032 0.151 1.00 92.82 O +ATOM 24 N PRO A 5 -3.996 3.590 -1.736 1.00 92.90 N +ATOM 25 CA PRO A 5 -4.447 2.212 -1.776 1.00 92.76 C +ATOM 26 C PRO A 5 -3.775 1.376 -0.700 1.00 92.74 C +ATOM 27 O PRO A 5 -2.748 1.754 -0.152 1.00 91.98 O +ATOM 28 CB PRO A 5 -4.044 1.758 -3.175 1.00 91.19 C +ATOM 29 CG PRO A 5 -2.828 2.574 -3.466 1.00 88.66 C +ATOM 30 CD PRO A 5 -3.094 3.907 -2.845 1.00 91.06 C +HETATM 31 N HYP A 6 -4.402 0.233 -0.424 1.00 91.86 N +HETATM 32 CA HYP A 6 -3.775 -0.697 0.499 1.00 92.66 C +HETATM 33 C HYP A 6 -2.400 -1.127 0.020 1.00 94.19 C +HETATM 34 O HYP A 6 -2.172 -1.219 -1.225 1.00 94.40 O +HETATM 35 CB HYP A 6 -4.769 -1.878 0.521 1.00 90.97 C +HETATM 36 CG HYP A 6 -6.108 -1.259 0.181 1.00 89.93 C +HETATM 37 CD HYP A 6 -5.731 -0.218 -0.855 1.00 91.37 C +HETATM 38 OD1 HYP A 6 -6.649 -0.621 1.317 1.00 90.68 O +ATOM 39 N GLY A 7 -1.511 -1.329 0.931 1.00 93.10 N +ATOM 40 CA GLY A 7 -0.183 -1.766 0.592 1.00 92.46 C +ATOM 41 C GLY A 7 -0.194 -3.172 0.030 1.00 93.32 C +ATOM 42 O GLY A 7 -1.211 -3.865 0.039 1.00 93.53 O +ATOM 43 N PRO A 8 0.961 -3.610 -0.466 1.00 93.30 N +ATOM 44 CA PRO A 8 1.052 -4.955 -1.019 1.00 93.06 C +ATOM 45 C PRO A 8 0.968 -6.014 0.065 1.00 93.43 C +ATOM 46 O PRO A 8 1.255 -5.759 1.228 1.00 92.43 O +ATOM 47 CB PRO A 8 2.409 -4.960 -1.713 1.00 90.97 C +ATOM 48 CG PRO A 8 3.199 -3.963 -0.951 1.00 89.52 C +ATOM 49 CD PRO A 8 2.218 -2.896 -0.544 1.00 91.15 C +HETATM 50 N HYP A 9 0.592 -7.255 -0.339 1.00 92.45 N +HETATM 51 CA HYP A 9 0.511 -8.309 0.563 1.00 92.79 C +HETATM 52 C HYP A 9 1.883 -8.690 1.141 1.00 93.65 C +HETATM 53 O HYP A 9 2.908 -8.538 0.426 1.00 93.53 O +HETATM 54 CB HYP A 9 0.017 -9.533 -0.261 1.00 89.65 C +HETATM 55 CG HYP A 9 -0.678 -8.911 -1.416 1.00 89.57 C +HETATM 56 CD HYP A 9 0.090 -7.655 -1.677 1.00 92.05 C +HETATM 57 OD1 HYP A 9 -1.995 -8.592 -1.008 1.00 89.17 O +ATOM 58 N GLY A 10 1.956 -9.061 2.358 1.00 93.90 N +ATOM 59 CA GLY A 10 3.161 -9.612 2.911 1.00 92.29 C +ATOM 60 C GLY A 10 3.402 -10.992 2.341 1.00 92.95 C +ATOM 61 O GLY A 10 2.710 -11.436 1.427 1.00 91.01 O +ATOM 62 N ARG A 11 4.368 -11.678 2.890 1.00 90.71 N +ATOM 63 CA ARG A 11 4.657 -13.023 2.391 1.00 91.90 C +ATOM 64 C ARG A 11 3.436 -13.930 2.490 1.00 92.16 C +ATOM 65 O ARG A 11 3.180 -14.726 1.592 1.00 90.21 O +ATOM 66 CB ARG A 11 5.828 -13.628 3.165 1.00 89.68 C +ATOM 67 CG ARG A 11 7.127 -12.883 2.927 1.00 84.43 C +ATOM 68 CD ARG A 11 8.312 -13.607 3.522 1.00 78.53 C +ATOM 69 NE ARG A 11 9.542 -12.858 3.317 1.00 76.67 N +ATOM 70 CZ ARG A 11 10.765 -13.365 3.428 1.00 71.92 C +ATOM 71 NH1 ARG A 11 10.930 -14.639 3.751 1.00 70.52 N +ATOM 72 NH2 ARG A 11 11.823 -12.604 3.227 1.00 66.96 N +ATOM 73 N THR A 12 2.693 -13.795 3.577 1.00 94.09 N +ATOM 74 CA THR A 12 1.454 -14.537 3.782 1.00 94.39 C +ATOM 75 C THR A 12 0.328 -13.635 4.275 1.00 94.67 C +ATOM 76 O THR A 12 -0.823 -14.066 4.346 1.00 91.42 O +ATOM 77 CB THR A 12 1.643 -15.675 4.803 1.00 92.89 C +ATOM 78 OG1 THR A 12 2.052 -15.124 6.053 1.00 89.24 O +ATOM 79 CG2 THR A 12 2.699 -16.662 4.336 1.00 86.08 C +ATOM 80 N GLY A 13 0.659 -12.413 4.625 1.00 95.49 N +ATOM 81 CA GLY A 13 -0.292 -11.522 5.248 1.00 94.54 C +ATOM 82 C GLY A 13 -1.159 -10.740 4.282 1.00 94.94 C +ATOM 83 O GLY A 13 -0.988 -10.805 3.063 1.00 94.78 O +ATOM 84 N PRO A 14 -2.104 -10.008 4.837 1.00 95.12 N +ATOM 85 CA PRO A 14 -3.024 -9.209 4.046 1.00 94.95 C +ATOM 86 C PRO A 14 -2.367 -7.946 3.515 1.00 95.22 C +ATOM 87 O PRO A 14 -1.244 -7.613 3.879 1.00 94.41 O +ATOM 88 CB PRO A 14 -4.130 -8.876 5.045 1.00 93.64 C +ATOM 89 CG PRO A 14 -3.405 -8.786 6.346 1.00 92.04 C +ATOM 90 CD PRO A 14 -2.356 -9.856 6.275 1.00 93.28 C +HETATM 91 N HYP A 15 -3.108 -7.282 2.665 1.00 93.55 N +HETATM 92 CA HYP A 15 -2.662 -5.988 2.199 1.00 94.15 C +HETATM 93 C HYP A 15 -2.394 -5.051 3.336 1.00 94.67 C +HETATM 94 O HYP A 15 -3.059 -5.163 4.412 1.00 94.34 O +HETATM 95 CB HYP A 15 -3.864 -5.538 1.342 1.00 92.20 C +HETATM 96 CG HYP A 15 -4.501 -6.826 0.860 1.00 90.56 C +HETATM 97 CD HYP A 15 -4.366 -7.732 2.063 1.00 93.25 C +HETATM 98 OD1 HYP A 15 -3.777 -7.337 -0.221 1.00 91.97 O +ATOM 99 N GLY A 16 -1.455 -4.175 3.157 1.00 96.12 N +ATOM 100 CA GLY A 16 -1.167 -3.189 4.158 1.00 95.85 C +ATOM 101 C GLY A 16 -2.282 -2.174 4.278 1.00 96.14 C +ATOM 102 O GLY A 16 -3.246 -2.194 3.501 1.00 95.91 O +ATOM 103 N PRO A 17 -2.159 -1.279 5.254 1.00 95.33 N +ATOM 104 CA PRO A 17 -3.180 -0.260 5.448 1.00 94.88 C +ATOM 105 C PRO A 17 -3.181 0.754 4.316 1.00 95.13 C +ATOM 106 O PRO A 17 -2.211 0.883 3.581 1.00 94.32 O +ATOM 107 CB PRO A 17 -2.790 0.377 6.780 1.00 93.67 C +ATOM 108 CG PRO A 17 -1.326 0.168 6.858 1.00 92.12 C +ATOM 109 CD PRO A 17 -1.075 -1.159 6.214 1.00 93.78 C +HETATM 110 N HYP A 18 -4.301 1.467 4.177 1.00 91.38 N +HETATM 111 CA HYP A 18 -4.355 2.517 3.233 1.00 92.19 C +HETATM 112 C HYP A 18 -3.297 3.554 3.437 1.00 93.29 C +HETATM 113 O HYP A 18 -2.900 3.804 4.605 1.00 92.95 O +HETATM 114 CB HYP A 18 -5.782 3.095 3.450 1.00 89.86 C +HETATM 115 CG HYP A 18 -6.585 1.937 3.986 1.00 88.88 C +HETATM 116 CD HYP A 18 -5.580 1.240 4.859 1.00 91.76 C +HETATM 117 OD1 HYP A 18 -6.963 1.097 2.904 1.00 90.21 O +ATOM 118 N GLY A 19 -2.816 4.105 2.380 1.00 91.43 N +ATOM 119 CA GLY A 19 -1.831 5.142 2.464 1.00 91.09 C +ATOM 120 C GLY A 19 -2.412 6.397 3.083 1.00 91.40 C +ATOM 121 O GLY A 19 -3.617 6.499 3.307 1.00 91.70 O +ATOM 122 N PRO A 20 -1.551 7.366 3.372 1.00 90.72 N +ATOM 123 CA PRO A 20 -2.018 8.602 3.980 1.00 90.19 C +ATOM 124 C PRO A 20 -2.826 9.428 3.002 1.00 90.10 C +ATOM 125 O PRO A 20 -2.702 9.287 1.790 1.00 90.10 O +ATOM 126 CB PRO A 20 -0.719 9.306 4.364 1.00 87.97 C +ATOM 127 CG PRO A 20 0.259 8.808 3.375 1.00 84.73 C +ATOM 128 CD PRO A 20 -0.115 7.377 3.129 1.00 86.22 C +HETATM 129 N HYP A 21 -3.652 10.277 3.561 1.00 90.65 N +HETATM 130 CA HYP A 21 -4.401 11.185 2.739 1.00 90.29 C +HETATM 131 C HYP A 21 -3.537 12.134 1.942 1.00 90.38 C +HETATM 132 O HYP A 21 -2.452 12.488 2.425 1.00 93.21 O +HETATM 133 CB HYP A 21 -5.245 11.980 3.771 1.00 89.03 C +HETATM 134 CG HYP A 21 -5.336 11.104 4.989 1.00 86.63 C +HETATM 135 CD HYP A 21 -4.005 10.409 4.993 1.00 90.96 C +HETATM 136 OD1 HYP A 21 -6.357 10.131 4.768 1.00 89.61 O +ATOM 137 N GLY A 22 -3.895 12.426 0.762 1.00 92.24 N +ATOM 138 CA GLY A 22 -3.194 13.422 0.004 1.00 90.76 C +ATOM 139 C GLY A 22 -3.457 14.792 0.608 1.00 90.80 C +ATOM 140 O GLY A 22 -4.251 14.931 1.536 1.00 90.41 O +ATOM 141 N PRO A 23 -2.815 15.831 0.103 1.00 93.74 N +ATOM 142 CA PRO A 23 -3.060 17.175 0.615 1.00 93.37 C +ATOM 143 C PRO A 23 -4.441 17.644 0.180 1.00 92.40 C +ATOM 144 O PRO A 23 -4.683 17.848 -1.003 1.00 89.62 O +ATOM 145 CB PRO A 23 -1.940 18.004 -0.001 1.00 90.84 C +ATOM 146 CG PRO A 23 -1.587 17.273 -1.244 1.00 87.60 C +ATOM 147 CD PRO A 23 -1.821 15.815 -0.956 1.00 90.89 C +HETATM 148 N HYP A 24 -5.407 17.651 1.004 1.00 94.35 N +HETATM 149 CA HYP A 24 -6.894 17.553 0.647 1.00 89.74 C +HETATM 150 C HYP A 24 -7.373 16.496 -0.083 1.00 93.67 C +HETATM 151 O HYP A 24 -8.515 15.904 0.189 1.00 92.94 O +HETATM 152 CB HYP A 24 -7.590 18.192 1.780 1.00 89.43 C +HETATM 153 CG HYP A 24 -6.591 19.188 2.321 1.00 89.03 C +HETATM 154 CD HYP A 24 -5.206 18.511 2.068 1.00 92.22 C +HETATM 155 OD1 HYP A 24 -6.798 19.511 3.660 1.00 89.46 O +HETATM 156 OXT HYP A 24 -7.523 16.730 -1.384 1.00 89.60 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_21.txt b/protein_pdb_21.txt new file mode 100644 index 0000000000000000000000000000000000000000..8c5763b7f6362a0739824fc4a6ffe623c8aaeece --- /dev/null +++ b/protein_pdb_21.txt @@ -0,0 +1,229 @@ +ATOM 1 N GLY A 1 -16.566 14.952 -1.195 1.00 82.40 N +ATOM 2 CA GLY A 1 -15.334 15.384 -1.844 1.00 86.10 C +ATOM 3 C GLY A 1 -14.715 14.272 -2.662 1.00 87.80 C +ATOM 4 O GLY A 1 -15.240 13.163 -2.701 1.00 84.17 O +ATOM 5 N PRO A 2 -13.581 14.534 -3.314 1.00 88.02 N +ATOM 6 CA PRO A 2 -12.938 13.528 -4.142 1.00 90.56 C +ATOM 7 C PRO A 2 -12.313 12.417 -3.317 1.00 90.94 C +ATOM 8 O PRO A 2 -12.121 12.552 -2.112 1.00 89.79 O +ATOM 9 CB PRO A 2 -11.875 14.318 -4.907 1.00 86.79 C +ATOM 10 CG PRO A 2 -11.555 15.451 -4.005 1.00 81.01 C +ATOM 11 CD PRO A 2 -12.838 15.797 -3.311 1.00 82.22 C +HETATM 12 N HYP A 3 -12.027 11.360 -3.974 1.00 90.79 N +HETATM 13 CA HYP A 3 -11.321 10.242 -3.343 1.00 87.99 C +HETATM 14 C HYP A 3 -9.957 10.692 -2.795 1.00 92.37 C +HETATM 15 O HYP A 3 -9.314 11.591 -3.389 1.00 90.24 O +HETATM 16 CB HYP A 3 -11.130 9.189 -4.449 1.00 88.77 C +HETATM 17 CG HYP A 3 -12.265 9.475 -5.432 1.00 84.40 C +HETATM 18 CD HYP A 3 -12.371 11.040 -5.383 1.00 88.35 C +HETATM 19 OD1 HYP A 3 -13.474 8.914 -4.945 1.00 86.33 O +ATOM 20 N GLY A 4 -9.586 10.095 -1.700 1.00 91.93 N +ATOM 21 CA GLY A 4 -8.306 10.402 -1.123 1.00 91.36 C +ATOM 22 C GLY A 4 -7.164 9.878 -1.980 1.00 92.71 C +ATOM 23 O GLY A 4 -7.370 9.144 -2.946 1.00 92.88 O +ATOM 24 N PRO A 5 -5.927 10.260 -1.632 1.00 93.00 N +ATOM 25 CA PRO A 5 -4.775 9.801 -2.396 1.00 93.06 C +ATOM 26 C PRO A 5 -4.510 8.321 -2.161 1.00 92.90 C +ATOM 27 O PRO A 5 -4.988 7.736 -1.196 1.00 92.77 O +ATOM 28 CB PRO A 5 -3.637 10.670 -1.867 1.00 91.29 C +ATOM 29 CG PRO A 5 -4.058 11.008 -0.483 1.00 88.92 C +ATOM 30 CD PRO A 5 -5.552 11.125 -0.522 1.00 90.76 C +HETATM 31 N HYP A 6 -3.741 7.749 -3.075 1.00 92.38 N +HETATM 32 CA HYP A 6 -3.322 6.363 -2.880 1.00 91.68 C +HETATM 33 C HYP A 6 -2.557 6.173 -1.599 1.00 94.45 C +HETATM 34 O HYP A 6 -1.848 7.109 -1.167 1.00 91.82 O +HETATM 35 CB HYP A 6 -2.438 6.057 -4.118 1.00 88.23 C +HETATM 36 CG HYP A 6 -2.982 6.991 -5.199 1.00 87.80 C +HETATM 37 CD HYP A 6 -3.328 8.248 -4.387 1.00 90.11 C +HETATM 38 OD1 HYP A 6 -4.159 6.424 -5.747 1.00 86.44 O +ATOM 39 N GLY A 7 -2.735 5.034 -0.997 1.00 94.03 N +ATOM 40 CA GLY A 7 -2.028 4.719 0.215 1.00 93.59 C +ATOM 41 C GLY A 7 -0.547 4.514 -0.040 1.00 94.64 C +ATOM 42 O GLY A 7 -0.090 4.490 -1.186 1.00 94.77 O +ATOM 43 N PRO A 8 0.227 4.365 1.037 1.00 94.14 N +ATOM 44 CA PRO A 8 1.665 4.148 0.890 1.00 93.87 C +ATOM 45 C PRO A 8 1.968 2.768 0.333 1.00 94.11 C +ATOM 46 O PRO A 8 1.120 1.884 0.339 1.00 93.67 O +ATOM 47 CB PRO A 8 2.188 4.314 2.319 1.00 92.39 C +ATOM 48 CG PRO A 8 1.045 3.912 3.167 1.00 90.25 C +ATOM 49 CD PRO A 8 -0.185 4.369 2.441 1.00 92.76 C +HETATM 50 N HYP A 9 3.202 2.606 -0.173 1.00 91.85 N +HETATM 51 CA HYP A 9 3.622 1.307 -0.623 1.00 95.25 C +HETATM 52 C HYP A 9 3.556 0.294 0.481 1.00 93.39 C +HETATM 53 O HYP A 9 3.721 0.643 1.661 1.00 93.05 O +HETATM 54 CB HYP A 9 5.090 1.557 -1.050 1.00 88.78 C +HETATM 55 CG HYP A 9 5.174 3.023 -1.388 1.00 87.47 C +HETATM 56 CD HYP A 9 4.229 3.632 -0.355 1.00 90.48 C +HETATM 57 OD1 HYP A 9 4.653 3.246 -2.702 1.00 85.42 O +ATOM 58 N GLY A 10 3.271 -0.936 0.128 1.00 95.23 N +ATOM 59 CA GLY A 10 3.250 -2.009 1.084 1.00 94.86 C +ATOM 60 C GLY A 10 4.644 -2.296 1.618 1.00 95.31 C +ATOM 61 O GLY A 10 5.642 -1.759 1.124 1.00 95.36 O +ATOM 62 N PRO A 11 4.731 -3.141 2.632 1.00 95.23 N +ATOM 63 CA PRO A 11 6.032 -3.464 3.215 1.00 95.37 C +ATOM 64 C PRO A 11 6.878 -4.298 2.263 1.00 95.23 C +ATOM 65 O PRO A 11 6.359 -4.937 1.348 1.00 94.48 O +ATOM 66 CB PRO A 11 5.677 -4.236 4.479 1.00 94.11 C +ATOM 67 CG PRO A 11 4.349 -4.821 4.190 1.00 92.13 C +ATOM 68 CD PRO A 11 3.638 -3.846 3.299 1.00 94.53 C +HETATM 69 N HYP A 12 8.207 -4.275 2.477 1.00 93.17 N +HETATM 70 CA HYP A 12 9.080 -5.099 1.702 1.00 95.16 C +HETATM 71 C HYP A 12 8.733 -6.559 1.865 1.00 94.36 C +HETATM 72 O HYP A 12 8.282 -6.969 2.933 1.00 92.96 O +HETATM 73 CB HYP A 12 10.497 -4.812 2.240 1.00 91.48 C +HETATM 74 CG HYP A 12 10.414 -3.420 2.812 1.00 89.72 C +HETATM 75 CD HYP A 12 8.996 -3.389 3.364 1.00 91.70 C +HETATM 76 OD1 HYP A 12 10.538 -2.463 1.761 1.00 88.83 O +ATOM 77 N GLY A 13 8.922 -7.339 0.829 1.00 95.21 N +ATOM 78 CA GLY A 13 8.718 -8.762 0.902 1.00 94.17 C +ATOM 79 C GLY A 13 9.730 -9.399 1.842 1.00 94.12 C +ATOM 80 O GLY A 13 10.738 -8.788 2.197 1.00 93.91 O +ATOM 81 N PRO A 14 9.487 -10.651 2.237 1.00 93.16 N +ATOM 82 CA PRO A 14 10.429 -11.304 3.142 1.00 92.77 C +ATOM 83 C PRO A 14 11.788 -11.500 2.488 1.00 92.77 C +ATOM 84 O PRO A 14 11.914 -11.606 1.265 1.00 90.08 O +ATOM 85 CB PRO A 14 9.754 -12.633 3.486 1.00 90.29 C +ATOM 86 CG PRO A 14 8.710 -12.837 2.462 1.00 88.82 C +ATOM 87 CD PRO A 14 8.340 -11.492 1.913 1.00 91.65 C +ATOM 88 N GLN A 15 12.820 -11.519 3.330 1.00 92.60 N +ATOM 89 CA GLN A 15 14.181 -11.717 2.860 1.00 92.82 C +ATOM 90 C GLN A 15 14.479 -13.208 2.780 1.00 92.37 C +ATOM 91 O GLN A 15 14.324 -13.924 3.761 1.00 89.33 O +ATOM 92 CB GLN A 15 15.148 -11.015 3.808 1.00 90.81 C +ATOM 93 CG GLN A 15 16.604 -11.184 3.410 1.00 87.19 C +ATOM 94 CD GLN A 15 17.545 -10.350 4.242 1.00 82.78 C +ATOM 95 OE1 GLN A 15 17.149 -9.712 5.216 1.00 80.10 O +ATOM 96 NE2 GLN A 15 18.812 -10.330 3.874 1.00 76.66 N +ATOM 97 N GLY A 16 14.884 -13.652 1.605 1.00 91.85 N +ATOM 98 CA GLY A 16 15.280 -15.038 1.449 1.00 89.68 C +ATOM 99 C GLY A 16 16.672 -15.253 2.013 1.00 90.64 C +ATOM 100 O GLY A 16 17.388 -14.294 2.304 1.00 90.38 O +ATOM 101 N PRO A 17 17.114 -16.497 2.175 1.00 92.05 N +ATOM 102 CA PRO A 17 18.449 -16.748 2.713 1.00 93.69 C +ATOM 103 C PRO A 17 19.517 -16.122 1.821 1.00 93.82 C +ATOM 104 O PRO A 17 19.634 -16.458 0.638 1.00 90.72 O +ATOM 105 CB PRO A 17 18.555 -18.280 2.731 1.00 91.58 C +ATOM 106 CG PRO A 17 17.144 -18.763 2.694 1.00 88.47 C +ATOM 107 CD PRO A 17 16.387 -17.747 1.901 1.00 90.21 C +ATOM 108 N GLY A 18 20.290 -15.198 2.378 1.00 93.09 N +ATOM 109 CA GLY A 18 21.352 -14.529 1.647 1.00 93.53 C +ATOM 110 C GLY A 18 20.897 -13.557 0.578 1.00 94.08 C +ATOM 111 O GLY A 18 21.715 -13.089 -0.207 1.00 90.04 O +ATOM 112 N SER A 19 19.602 -13.231 0.530 1.00 94.54 N +ATOM 113 CA SER A 19 19.060 -12.342 -0.489 1.00 94.36 C +ATOM 114 C SER A 19 18.533 -11.062 0.144 1.00 94.95 C +ATOM 115 O SER A 19 18.149 -11.053 1.312 1.00 93.07 O +ATOM 116 CB SER A 19 17.923 -13.020 -1.250 1.00 89.72 C +ATOM 117 OG SER A 19 18.380 -14.173 -1.914 1.00 81.81 O +ATOM 118 N PRO A 20 18.485 -9.970 -0.632 1.00 93.39 N +ATOM 119 CA PRO A 20 17.895 -8.748 -0.090 1.00 93.23 C +ATOM 120 C PRO A 20 16.387 -8.915 0.066 1.00 93.77 C +ATOM 121 O PRO A 20 15.791 -9.823 -0.530 1.00 91.97 O +ATOM 122 CB PRO A 20 18.249 -7.671 -1.126 1.00 90.44 C +ATOM 123 CG PRO A 20 18.540 -8.407 -2.376 1.00 88.16 C +ATOM 124 CD PRO A 20 19.005 -9.778 -1.993 1.00 90.61 C +ATOM 125 N PRO A 21 15.745 -8.067 0.868 1.00 91.88 N +ATOM 126 CA PRO A 21 14.289 -8.141 0.989 1.00 92.18 C +ATOM 127 C PRO A 21 13.628 -7.936 -0.361 1.00 92.68 C +ATOM 128 O PRO A 21 14.192 -7.304 -1.263 1.00 88.52 O +ATOM 129 CB PRO A 21 13.934 -6.999 1.947 1.00 89.64 C +ATOM 130 CG PRO A 21 15.197 -6.681 2.654 1.00 86.21 C +ATOM 131 CD PRO A 21 16.304 -6.994 1.701 1.00 89.18 C +ATOM 132 N GLY A 22 12.434 -8.472 -0.500 1.00 95.19 N +ATOM 133 CA GLY A 22 11.677 -8.264 -1.715 1.00 94.79 C +ATOM 134 C GLY A 22 11.269 -6.812 -1.857 1.00 95.98 C +ATOM 135 O GLY A 22 11.405 -6.016 -0.929 1.00 95.87 O +ATOM 136 N PRO A 23 10.762 -6.425 -3.037 1.00 94.20 N +ATOM 137 CA PRO A 23 10.361 -5.032 -3.255 1.00 93.98 C +ATOM 138 C PRO A 23 9.122 -4.676 -2.455 1.00 94.44 C +ATOM 139 O PRO A 23 8.372 -5.544 -2.017 1.00 94.09 O +ATOM 140 CB PRO A 23 10.100 -4.966 -4.761 1.00 92.58 C +ATOM 141 CG PRO A 23 9.731 -6.356 -5.132 1.00 90.97 C +ATOM 142 CD PRO A 23 10.537 -7.248 -4.233 1.00 92.64 C +HETATM 143 N HYP A 24 8.916 -3.372 -2.294 1.00 95.05 N +HETATM 144 CA HYP A 24 7.749 -2.909 -1.640 1.00 95.25 C +HETATM 145 C HYP A 24 6.504 -3.313 -2.416 1.00 95.66 C +HETATM 146 O HYP A 24 6.554 -3.444 -3.657 1.00 93.52 O +HETATM 147 CB HYP A 24 7.902 -1.369 -1.625 1.00 92.93 C +HETATM 148 CG HYP A 24 9.388 -1.132 -1.663 1.00 91.66 C +HETATM 149 CD HYP A 24 9.857 -2.262 -2.572 1.00 93.30 C +HETATM 150 OD1 HYP A 24 9.912 -1.291 -0.371 1.00 90.03 O +ATOM 151 N GLY A 25 5.444 -3.541 -1.691 1.00 95.23 N +ATOM 152 CA GLY A 25 4.186 -3.821 -2.328 1.00 94.97 C +ATOM 153 C GLY A 25 3.660 -2.599 -3.057 1.00 95.82 C +ATOM 154 O GLY A 25 4.213 -1.500 -2.947 1.00 95.94 O +ATOM 155 N PRO A 26 2.572 -2.763 -3.817 1.00 93.54 N +ATOM 156 CA PRO A 26 2.008 -1.640 -4.559 1.00 92.67 C +ATOM 157 C PRO A 26 1.356 -0.622 -3.634 1.00 92.74 C +ATOM 158 O PRO A 26 1.058 -0.916 -2.482 1.00 92.72 O +ATOM 159 CB PRO A 26 0.979 -2.305 -5.478 1.00 91.22 C +ATOM 160 CG PRO A 26 0.585 -3.539 -4.751 1.00 90.13 C +ATOM 161 CD PRO A 26 1.817 -3.999 -4.029 1.00 92.42 C +HETATM 162 N HYP A 27 1.158 0.601 -4.155 1.00 94.36 N +HETATM 163 CA HYP A 27 0.448 1.601 -3.411 1.00 94.16 C +HETATM 164 C HYP A 27 -0.952 1.138 -3.092 1.00 95.27 C +HETATM 165 O HYP A 27 -1.569 0.394 -3.889 1.00 93.38 O +HETATM 166 CB HYP A 27 0.409 2.829 -4.356 1.00 91.08 C +HETATM 167 CG HYP A 27 1.657 2.661 -5.230 1.00 86.50 C +HETATM 168 CD HYP A 27 1.686 1.150 -5.431 1.00 91.71 C +HETATM 169 OD1 HYP A 27 2.795 3.087 -4.502 1.00 87.25 O +ATOM 170 N GLY A 28 -1.440 1.530 -1.947 1.00 95.51 N +ATOM 171 CA GLY A 28 -2.781 1.198 -1.552 1.00 95.19 C +ATOM 172 C GLY A 28 -3.812 1.895 -2.420 1.00 95.50 C +ATOM 173 O GLY A 28 -3.487 2.782 -3.213 1.00 95.57 O +ATOM 174 N PRO A 29 -5.076 1.502 -2.276 1.00 92.33 N +ATOM 175 CA PRO A 29 -6.134 2.110 -3.072 1.00 91.58 C +ATOM 176 C PRO A 29 -6.423 3.532 -2.622 1.00 91.60 C +ATOM 177 O PRO A 29 -6.041 3.945 -1.535 1.00 91.82 O +ATOM 178 CB PRO A 29 -7.328 1.186 -2.822 1.00 89.85 C +ATOM 179 CG PRO A 29 -7.065 0.619 -1.479 1.00 88.16 C +ATOM 180 CD PRO A 29 -5.577 0.472 -1.376 1.00 90.26 C +HETATM 181 N HYP A 30 -7.104 4.286 -3.499 1.00 91.89 N +HETATM 182 CA HYP A 30 -7.520 5.606 -3.126 1.00 93.57 C +HETATM 183 C HYP A 30 -8.417 5.590 -1.889 1.00 93.76 C +HETATM 184 O HYP A 30 -9.157 4.618 -1.691 1.00 93.19 O +HETATM 185 CB HYP A 30 -8.309 6.133 -4.339 1.00 90.54 C +HETATM 186 CG HYP A 30 -7.696 5.403 -5.525 1.00 87.48 C +HETATM 187 CD HYP A 30 -7.416 4.027 -4.920 1.00 90.80 C +HETATM 188 OD1 HYP A 30 -6.473 6.020 -5.892 1.00 86.21 O +ATOM 189 N GLY A 31 -8.317 6.599 -1.097 1.00 93.42 N +ATOM 190 CA GLY A 31 -9.143 6.701 0.067 1.00 92.55 C +ATOM 191 C GLY A 31 -10.604 6.899 -0.310 1.00 92.93 C +ATOM 192 O GLY A 31 -10.947 7.115 -1.474 1.00 93.17 O +ATOM 193 N PRO A 32 -11.487 6.829 0.681 1.00 92.43 N +ATOM 194 CA PRO A 32 -12.903 7.013 0.420 1.00 91.96 C +ATOM 195 C PRO A 32 -13.222 8.457 0.081 1.00 91.83 C +ATOM 196 O PRO A 32 -12.421 9.358 0.325 1.00 91.20 O +ATOM 197 CB PRO A 32 -13.568 6.576 1.727 1.00 89.78 C +ATOM 198 CG PRO A 32 -12.523 6.839 2.757 1.00 88.19 C +ATOM 199 CD PRO A 32 -11.207 6.571 2.090 1.00 90.18 C +HETATM 200 N HYP A 33 -14.396 8.687 -0.512 1.00 92.16 N +HETATM 201 CA HYP A 33 -14.828 10.013 -0.780 1.00 89.95 C +HETATM 202 C HYP A 33 -14.905 10.873 0.469 1.00 92.49 C +HETATM 203 O HYP A 33 -15.288 10.353 1.528 1.00 92.02 O +HETATM 204 CB HYP A 33 -16.200 9.893 -1.447 1.00 89.76 C +HETATM 205 CG HYP A 33 -16.177 8.505 -2.080 1.00 87.75 C +HETATM 206 CD HYP A 33 -15.335 7.693 -1.096 1.00 89.66 C +HETATM 207 OD1 HYP A 33 -15.473 8.547 -3.330 1.00 87.00 O +ATOM 208 N GLY A 34 -14.488 12.097 0.377 1.00 86.34 N +ATOM 209 CA GLY A 34 -14.563 12.996 1.495 1.00 84.37 C +ATOM 210 C GLY A 34 -15.998 13.398 1.770 1.00 83.81 C +ATOM 211 O GLY A 34 -16.918 13.053 1.019 1.00 82.77 O +ATOM 212 N PRO A 35 -16.240 14.167 2.844 1.00 86.74 N +ATOM 213 CA PRO A 35 -17.587 14.627 3.141 1.00 87.66 C +ATOM 214 C PRO A 35 -18.055 15.603 2.076 1.00 86.02 C +ATOM 215 O PRO A 35 -17.256 16.195 1.362 1.00 82.38 O +ATOM 216 CB PRO A 35 -17.445 15.290 4.503 1.00 84.05 C +ATOM 217 CG PRO A 35 -16.015 15.675 4.583 1.00 79.90 C +ATOM 218 CD PRO A 35 -15.260 14.645 3.802 1.00 82.18 C +HETATM 219 N HYP A 36 -19.302 15.829 1.904 1.00 88.36 N +HETATM 220 CA HYP A 36 -19.720 16.685 0.832 1.00 76.50 C +HETATM 221 C HYP A 36 -18.745 17.781 0.503 1.00 84.16 C +HETATM 222 O HYP A 36 -18.788 18.838 1.139 1.00 75.13 O +HETATM 223 CB HYP A 36 -21.132 17.120 1.119 1.00 80.61 C +HETATM 224 CG HYP A 36 -21.623 16.206 2.228 1.00 78.22 C +HETATM 225 CD HYP A 36 -20.359 15.625 2.885 1.00 85.76 C +HETATM 226 OD1 HYP A 36 -22.349 15.104 1.662 1.00 80.80 O +HETATM 227 OXT HYP A 36 -17.932 17.471 -0.401 1.00 74.22 O +TER 228 HYP A 36 +END diff --git a/protein_pdb_210.txt b/protein_pdb_210.txt new file mode 100644 index 0000000000000000000000000000000000000000..9a878cefe569dcb66f8394ce46f926963357c464 --- /dev/null +++ b/protein_pdb_210.txt @@ -0,0 +1,151 @@ +ATOM 1 N GLY A 1 12.269 2.241 -7.936 1.00 80.11 N +ATOM 2 CA GLY A 1 12.025 0.981 -7.256 1.00 82.14 C +ATOM 3 C GLY A 1 10.579 0.570 -7.360 1.00 83.53 C +ATOM 4 O GLY A 1 9.768 1.291 -7.932 1.00 80.57 O +ATOM 5 N PRO A 2 10.242 -0.575 -6.790 1.00 80.51 N +ATOM 6 CA PRO A 2 8.870 -1.064 -6.863 1.00 82.15 C +ATOM 7 C PRO A 2 7.928 -0.264 -5.983 1.00 82.04 C +ATOM 8 O PRO A 2 8.352 0.464 -5.092 1.00 78.75 O +ATOM 9 CB PRO A 2 8.989 -2.505 -6.379 1.00 79.01 C +ATOM 10 CG PRO A 2 10.161 -2.485 -5.468 1.00 74.41 C +ATOM 11 CD PRO A 2 11.121 -1.495 -6.068 1.00 73.15 C +HETATM 12 N HYP A 3 6.702 -0.395 -6.270 1.00 82.25 N +HETATM 13 CA HYP A 3 5.672 0.213 -5.420 1.00 82.66 C +HETATM 14 C HYP A 3 5.809 -0.250 -3.985 1.00 83.09 C +HETATM 15 O HYP A 3 6.230 -1.408 -3.732 1.00 85.98 O +HETATM 16 CB HYP A 3 4.349 -0.318 -6.044 1.00 82.91 C +HETATM 17 CG HYP A 3 4.694 -0.614 -7.510 1.00 78.93 C +HETATM 18 CD HYP A 3 6.138 -1.167 -7.390 1.00 82.90 C +HETATM 19 OD1 HYP A 3 4.723 0.607 -8.210 1.00 78.94 O +ATOM 20 N GLY A 4 5.483 0.634 -3.078 1.00 86.41 N +ATOM 21 CA GLY A 4 5.511 0.276 -1.688 1.00 86.38 C +ATOM 22 C GLY A 4 4.391 -0.681 -1.334 1.00 87.03 C +ATOM 23 O GLY A 4 3.511 -0.963 -2.149 1.00 86.61 O +ATOM 24 N PRO A 5 4.416 -1.180 -0.108 1.00 85.73 N +ATOM 25 CA PRO A 5 3.382 -2.104 0.323 1.00 85.18 C +ATOM 26 C PRO A 5 2.051 -1.397 0.542 1.00 84.91 C +ATOM 27 O PRO A 5 1.999 -0.184 0.695 1.00 83.66 O +ATOM 28 CB PRO A 5 3.939 -2.662 1.628 1.00 84.25 C +ATOM 29 CG PRO A 5 4.803 -1.566 2.145 1.00 82.21 C +ATOM 30 CD PRO A 5 5.407 -0.923 0.932 1.00 82.37 C +HETATM 31 N HYP A 6 0.974 -2.184 0.523 1.00 86.88 N +HETATM 32 CA HYP A 6 -0.311 -1.650 0.869 1.00 87.68 C +HETATM 33 C HYP A 6 -0.351 -1.054 2.247 1.00 86.85 C +HETATM 34 O HYP A 6 0.394 -1.513 3.154 1.00 86.61 O +HETATM 35 CB HYP A 6 -1.232 -2.911 0.810 1.00 82.73 C +HETATM 36 CG HYP A 6 -0.552 -3.831 -0.194 1.00 82.53 C +HETATM 37 CD HYP A 6 0.915 -3.591 0.126 1.00 85.76 C +HETATM 38 OD1 HYP A 6 -0.841 -3.395 -1.499 1.00 82.37 O +ATOM 39 N GLY A 7 -1.114 -0.029 2.420 1.00 86.54 N +ATOM 40 CA GLY A 7 -1.267 0.591 3.703 1.00 85.07 C +ATOM 41 C GLY A 7 -2.003 -0.318 4.669 1.00 85.52 C +ATOM 42 O GLY A 7 -2.502 -1.377 4.302 1.00 84.11 O +ATOM 43 N PRO A 8 -2.067 0.112 5.926 1.00 84.82 N +ATOM 44 CA PRO A 8 -2.749 -0.699 6.925 1.00 84.09 C +ATOM 45 C PRO A 8 -4.256 -0.711 6.710 1.00 83.70 C +ATOM 46 O PRO A 8 -4.811 0.164 6.061 1.00 81.79 O +ATOM 47 CB PRO A 8 -2.368 -0.034 8.241 1.00 82.26 C +ATOM 48 CG PRO A 8 -2.031 1.355 7.876 1.00 81.35 C +ATOM 49 CD PRO A 8 -1.486 1.323 6.485 1.00 81.61 C +HETATM 50 N HYP A 9 -4.907 -1.717 7.282 1.00 81.05 N +HETATM 51 CA HYP A 9 -6.326 -1.827 7.220 1.00 82.25 C +HETATM 52 C HYP A 9 -7.008 -0.718 7.966 1.00 83.09 C +HETATM 53 O HYP A 9 -6.488 -0.220 8.977 1.00 82.88 O +HETATM 54 CB HYP A 9 -6.598 -3.171 7.981 1.00 76.93 C +HETATM 55 CG HYP A 9 -5.331 -3.942 7.873 1.00 75.36 C +HETATM 56 CD HYP A 9 -4.270 -2.894 7.918 1.00 81.17 C +HETATM 57 OD1 HYP A 9 -5.288 -4.571 6.611 1.00 74.76 O +ATOM 58 N GLY A 10 -8.102 -0.221 7.455 1.00 83.67 N +ATOM 59 CA GLY A 10 -8.907 0.740 8.167 1.00 80.43 C +ATOM 60 C GLY A 10 -9.677 0.055 9.285 1.00 80.81 C +ATOM 61 O GLY A 10 -9.554 -1.152 9.504 1.00 78.86 O +ATOM 62 N ALA A 11 -10.474 0.837 9.988 1.00 77.42 N +ATOM 63 CA ALA A 11 -11.241 0.286 11.097 1.00 82.46 C +ATOM 64 C ALA A 11 -12.065 -0.921 10.658 1.00 83.68 C +ATOM 65 O ALA A 11 -12.163 -1.912 11.387 1.00 82.04 O +ATOM 66 CB ALA A 11 -12.146 1.356 11.685 1.00 80.93 C +ATOM 67 N SER A 12 -12.648 -0.828 9.479 1.00 82.84 N +ATOM 68 CA SER A 12 -13.371 -1.951 8.890 1.00 84.56 C +ATOM 69 C SER A 12 -13.174 -1.950 7.384 1.00 85.45 C +ATOM 70 O SER A 12 -13.976 -2.516 6.645 1.00 79.92 O +ATOM 71 CB SER A 12 -14.859 -1.882 9.235 1.00 79.88 C +ATOM 72 OG SER A 12 -15.443 -0.731 8.676 1.00 72.05 O +ATOM 73 N GLY A 13 -12.112 -1.324 6.939 1.00 88.33 N +ATOM 74 CA GLY A 13 -11.875 -1.141 5.527 1.00 86.71 C +ATOM 75 C GLY A 13 -10.676 -1.902 5.018 1.00 87.56 C +ATOM 76 O GLY A 13 -9.935 -2.516 5.790 1.00 87.10 O +ATOM 77 N PRO A 14 -10.493 -1.880 3.732 1.00 86.62 N +ATOM 78 CA PRO A 14 -9.396 -2.606 3.110 1.00 86.77 C +ATOM 79 C PRO A 14 -8.064 -1.923 3.358 1.00 87.33 C +ATOM 80 O PRO A 14 -7.999 -0.779 3.795 1.00 85.30 O +ATOM 81 CB PRO A 14 -9.761 -2.590 1.631 1.00 84.98 C +ATOM 82 CG PRO A 14 -10.497 -1.310 1.461 1.00 83.73 C +ATOM 83 CD PRO A 14 -11.280 -1.139 2.737 1.00 83.09 C +HETATM 84 N HYP A 15 -7.050 -2.671 3.048 1.00 87.15 N +HETATM 85 CA HYP A 15 -5.735 -2.099 3.084 1.00 87.96 C +HETATM 86 C HYP A 15 -5.634 -0.919 2.153 1.00 88.66 C +HETATM 87 O HYP A 15 -6.384 -0.841 1.160 1.00 87.40 O +HETATM 88 CB HYP A 15 -4.896 -3.286 2.541 1.00 83.57 C +HETATM 89 CG HYP A 15 -5.685 -4.537 2.891 1.00 81.76 C +HETATM 90 CD HYP A 15 -7.108 -4.095 2.682 1.00 86.36 C +HETATM 91 OD1 HYP A 15 -5.487 -4.875 4.236 1.00 82.88 O +ATOM 92 N GLY A 16 -4.778 -0.010 2.496 1.00 89.62 N +ATOM 93 CA GLY A 16 -4.551 1.120 1.634 1.00 89.26 C +ATOM 94 C GLY A 16 -3.868 0.706 0.347 1.00 90.41 C +ATOM 95 O GLY A 16 -3.442 -0.438 0.192 1.00 90.04 O +ATOM 96 N PRO A 17 -3.779 1.653 -0.577 1.00 87.01 N +ATOM 97 CA PRO A 17 -3.136 1.352 -1.841 1.00 87.48 C +ATOM 98 C PRO A 17 -1.632 1.196 -1.682 1.00 88.10 C +ATOM 99 O PRO A 17 -1.053 1.611 -0.684 1.00 86.45 O +ATOM 100 CB PRO A 17 -3.475 2.565 -2.704 1.00 86.20 C +ATOM 101 CG PRO A 17 -3.639 3.663 -1.716 1.00 85.01 C +ATOM 102 CD PRO A 17 -4.254 3.032 -0.505 1.00 85.27 C +HETATM 103 N HYP A 18 -1.020 0.560 -2.662 1.00 83.95 N +HETATM 104 CA HYP A 18 0.394 0.477 -2.694 1.00 86.88 C +HETATM 105 C HYP A 18 1.039 1.843 -2.654 1.00 86.26 C +HETATM 106 O HYP A 18 0.458 2.830 -3.151 1.00 86.65 O +HETATM 107 CB HYP A 18 0.677 -0.199 -4.051 1.00 83.24 C +HETATM 108 CG HYP A 18 -0.566 -1.025 -4.332 1.00 83.21 C +HETATM 109 CD HYP A 18 -1.659 -0.129 -3.779 1.00 87.26 C +HETATM 110 OD1 HYP A 18 -0.498 -2.232 -3.575 1.00 83.73 O +ATOM 111 N GLY A 19 2.175 1.913 -2.025 1.00 85.14 N +ATOM 112 CA GLY A 19 2.918 3.137 -1.978 1.00 85.36 C +ATOM 113 C GLY A 19 3.474 3.500 -3.343 1.00 86.11 C +ATOM 114 O GLY A 19 3.398 2.717 -4.293 1.00 85.73 O +ATOM 115 N PRO A 20 4.039 4.687 -3.433 1.00 73.01 N +ATOM 116 CA PRO A 20 4.592 5.122 -4.703 1.00 74.28 C +ATOM 117 C PRO A 20 5.858 4.359 -5.054 1.00 73.81 C +ATOM 118 O PRO A 20 6.502 3.764 -4.197 1.00 73.71 O +ATOM 119 CB PRO A 20 4.883 6.600 -4.463 1.00 73.60 C +ATOM 120 CG PRO A 20 5.120 6.685 -3.001 1.00 70.96 C +ATOM 121 CD PRO A 20 4.192 5.688 -2.380 1.00 68.50 C +HETATM 122 N HYP A 21 6.196 4.386 -6.301 1.00 84.75 N +HETATM 123 CA HYP A 21 7.423 3.801 -6.750 1.00 82.37 C +HETATM 124 C HYP A 21 8.637 4.452 -6.095 1.00 85.57 C +HETATM 125 O HYP A 21 8.564 5.617 -5.712 1.00 87.54 O +HETATM 126 CB HYP A 21 7.441 4.072 -8.257 1.00 81.50 C +HETATM 127 CG HYP A 21 5.985 4.198 -8.640 1.00 78.10 C +HETATM 128 CD HYP A 21 5.396 4.883 -7.426 1.00 84.23 C +HETATM 129 OD1 HYP A 21 5.405 2.898 -8.747 1.00 78.96 O +ATOM 130 N GLY A 22 9.640 3.682 -5.889 1.00 81.34 N +ATOM 131 CA GLY A 22 10.864 4.220 -5.365 1.00 78.59 C +ATOM 132 C GLY A 22 11.522 5.140 -6.382 1.00 77.93 C +ATOM 133 O GLY A 22 11.015 5.326 -7.487 1.00 77.54 O +ATOM 134 N PRO A 23 12.656 5.713 -6.022 1.00 86.22 N +ATOM 135 CA PRO A 23 13.341 6.612 -6.938 1.00 86.18 C +ATOM 136 C PRO A 23 13.833 5.875 -8.167 1.00 84.84 C +ATOM 137 O PRO A 23 13.995 4.661 -8.166 1.00 81.29 O +ATOM 138 CB PRO A 23 14.491 7.159 -6.102 1.00 82.35 C +ATOM 139 CG PRO A 23 14.725 6.122 -5.070 1.00 79.57 C +ATOM 140 CD PRO A 23 13.386 5.526 -4.775 1.00 80.14 C +HETATM 141 N HYP A 24 14.071 6.544 -9.177 1.00 87.06 N +HETATM 142 CA HYP A 24 14.518 5.885 -10.395 1.00 83.43 C +HETATM 143 C HYP A 24 15.395 4.760 -10.171 1.00 82.15 C +HETATM 144 O HYP A 24 16.623 4.897 -10.159 1.00 76.48 O +HETATM 145 CB HYP A 24 15.068 7.002 -11.256 1.00 80.85 C +HETATM 146 CG HYP A 24 14.634 8.307 -10.636 1.00 81.13 C +HETATM 147 CD HYP A 24 14.315 7.958 -9.194 1.00 85.08 C +HETATM 148 OD1 HYP A 24 13.417 8.753 -11.239 1.00 80.43 O +HETATM 149 OXT HYP A 24 14.803 3.660 -10.008 1.00 76.75 O +TER 150 HYP A 24 +END diff --git a/protein_pdb_211.txt b/protein_pdb_211.txt new file mode 100644 index 0000000000000000000000000000000000000000..3acee54a5a3c1966e0257bf209365e482d47a3e1 --- /dev/null +++ b/protein_pdb_211.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 10.518 -7.433 -7.074 1.00 86.20 N +ATOM 2 CA GLY A 1 9.461 -6.595 -7.543 1.00 88.72 C +ATOM 3 C GLY A 1 9.380 -5.265 -6.837 1.00 91.04 C +ATOM 4 O GLY A 1 9.963 -5.072 -5.772 1.00 89.24 O +ATOM 5 N PRO A 2 8.691 -4.407 -7.405 1.00 87.42 N +ATOM 6 CA PRO A 2 8.507 -3.087 -6.817 1.00 89.38 C +ATOM 7 C PRO A 2 7.561 -3.128 -5.639 1.00 89.70 C +ATOM 8 O PRO A 2 6.848 -4.112 -5.419 1.00 87.84 O +ATOM 9 CB PRO A 2 7.919 -2.281 -7.971 1.00 86.39 C +ATOM 10 CG PRO A 2 7.172 -3.295 -8.758 1.00 82.87 C +ATOM 11 CD PRO A 2 8.005 -4.543 -8.688 1.00 84.84 C +HETATM 12 N HYP A 3 7.563 -2.045 -4.887 1.00 90.57 N +HETATM 13 CA HYP A 3 6.645 -1.962 -3.765 1.00 89.16 C +HETATM 14 C HYP A 3 5.208 -1.994 -4.245 1.00 90.78 C +HETATM 15 O HYP A 3 4.915 -1.570 -5.387 1.00 90.42 O +HETATM 16 CB HYP A 3 6.970 -0.546 -3.213 1.00 88.26 C +HETATM 17 CG HYP A 3 8.411 -0.327 -3.576 1.00 84.41 C +HETATM 18 CD HYP A 3 8.505 -0.974 -4.979 1.00 87.32 C +HETATM 19 OD1 HYP A 3 9.216 -1.036 -2.690 1.00 84.92 O +ATOM 20 N GLY A 4 4.367 -2.532 -3.417 1.00 91.32 N +ATOM 21 CA GLY A 4 2.970 -2.578 -3.742 1.00 90.97 C +ATOM 22 C GLY A 4 2.364 -1.191 -3.753 1.00 91.94 C +ATOM 23 O GLY A 4 3.001 -0.215 -3.357 1.00 91.65 O +ATOM 24 N PRO A 5 1.127 -1.084 -4.201 1.00 90.34 N +ATOM 25 CA PRO A 5 0.458 0.209 -4.256 1.00 90.79 C +ATOM 26 C PRO A 5 0.106 0.710 -2.869 1.00 90.40 C +ATOM 27 O PRO A 5 0.068 -0.048 -1.909 1.00 88.99 O +ATOM 28 CB PRO A 5 -0.787 -0.068 -5.087 1.00 89.10 C +ATOM 29 CG PRO A 5 -1.076 -1.503 -4.821 1.00 87.28 C +ATOM 30 CD PRO A 5 0.270 -2.155 -4.703 1.00 89.09 C +HETATM 31 N HYP A 6 -0.152 2.014 -2.794 1.00 90.88 N +HETATM 32 CA HYP A 6 -0.581 2.585 -1.538 1.00 92.76 C +HETATM 33 C HYP A 6 -1.885 1.965 -1.085 1.00 91.55 C +HETATM 34 O HYP A 6 -2.716 1.540 -1.913 1.00 90.37 O +HETATM 35 CB HYP A 6 -0.822 4.067 -1.947 1.00 87.61 C +HETATM 36 CG HYP A 6 0.138 4.285 -3.080 1.00 86.34 C +HETATM 37 CD HYP A 6 0.021 2.978 -3.853 1.00 89.70 C +HETATM 38 OD1 HYP A 6 1.438 4.424 -2.579 1.00 84.93 O +ATOM 39 N GLY A 7 -2.013 1.847 0.215 1.00 91.22 N +ATOM 40 CA GLY A 7 -3.222 1.308 0.779 1.00 90.96 C +ATOM 41 C GLY A 7 -4.401 2.207 0.504 1.00 91.83 C +ATOM 42 O GLY A 7 -4.261 3.315 -0.013 1.00 91.31 O +ATOM 43 N PRO A 8 -5.585 1.742 0.845 1.00 89.94 N +ATOM 44 CA PRO A 8 -6.783 2.535 0.600 1.00 90.37 C +ATOM 45 C PRO A 8 -6.871 3.730 1.530 1.00 90.63 C +ATOM 46 O PRO A 8 -6.314 3.732 2.621 1.00 88.36 O +ATOM 47 CB PRO A 8 -7.917 1.549 0.854 1.00 88.10 C +ATOM 48 CG PRO A 8 -7.341 0.594 1.834 1.00 86.56 C +ATOM 49 CD PRO A 8 -5.893 0.456 1.447 1.00 88.49 C +HETATM 50 N HYP A 9 -7.586 4.735 1.100 1.00 89.17 N +HETATM 51 CA HYP A 9 -7.809 5.889 1.890 1.00 88.89 C +HETATM 52 C HYP A 9 -8.732 5.566 3.027 1.00 89.75 C +HETATM 53 O HYP A 9 -9.579 4.689 2.931 1.00 87.83 O +HETATM 54 CB HYP A 9 -8.556 6.837 0.915 1.00 83.97 C +HETATM 55 CG HYP A 9 -8.192 6.370 -0.430 1.00 83.51 C +HETATM 56 CD HYP A 9 -8.065 4.896 -0.285 1.00 87.22 C +HETATM 57 OD1 HYP A 9 -6.947 6.890 -0.785 1.00 82.11 O +ATOM 58 N GLY A 10 -8.560 6.218 4.137 1.00 87.77 N +ATOM 59 CA GLY A 10 -9.516 6.111 5.215 1.00 85.40 C +ATOM 60 C GLY A 10 -10.755 6.904 4.864 1.00 85.80 C +ATOM 61 O GLY A 10 -10.849 7.516 3.796 1.00 84.48 O +ATOM 62 N ALA A 11 -11.714 6.915 5.760 1.00 82.32 N +ATOM 63 CA ALA A 11 -12.909 7.710 5.534 1.00 85.54 C +ATOM 64 C ALA A 11 -12.524 9.154 5.254 1.00 87.02 C +ATOM 65 O ALA A 11 -13.028 9.778 4.323 1.00 83.80 O +ATOM 66 CB ALA A 11 -13.821 7.629 6.748 1.00 82.26 C +ATOM 67 N ASP A 12 -11.617 9.664 6.061 1.00 88.68 N +ATOM 68 CA ASP A 12 -11.000 10.969 5.877 1.00 91.15 C +ATOM 69 C ASP A 12 -9.557 10.817 6.303 1.00 91.74 C +ATOM 70 O ASP A 12 -9.241 10.904 7.488 1.00 88.15 O +ATOM 71 CB ASP A 12 -11.688 12.039 6.734 1.00 88.34 C +ATOM 72 CG ASP A 12 -13.088 12.351 6.252 1.00 82.78 C +ATOM 73 OD1 ASP A 12 -14.031 11.679 6.711 1.00 81.53 O +ATOM 74 OD2 ASP A 12 -13.242 13.287 5.438 1.00 80.06 O +ATOM 75 N GLY A 13 -8.689 10.559 5.353 1.00 90.69 N +ATOM 76 CA GLY A 13 -7.311 10.341 5.719 1.00 89.81 C +ATOM 77 C GLY A 13 -6.476 9.931 4.533 1.00 90.83 C +ATOM 78 O GLY A 13 -6.995 9.655 3.452 1.00 90.08 O +ATOM 79 N PRO A 14 -5.175 9.901 4.728 1.00 91.42 N +ATOM 80 CA PRO A 14 -4.258 9.557 3.655 1.00 91.45 C +ATOM 81 C PRO A 14 -4.321 8.079 3.304 1.00 91.84 C +ATOM 82 O PRO A 14 -4.813 7.263 4.078 1.00 90.18 O +ATOM 83 CB PRO A 14 -2.894 9.939 4.214 1.00 89.53 C +ATOM 84 CG PRO A 14 -3.051 9.742 5.676 1.00 88.22 C +ATOM 85 CD PRO A 14 -4.451 10.175 5.981 1.00 89.53 C +HETATM 86 N HYP A 15 -3.799 7.801 2.158 1.00 90.97 N +HETATM 87 CA HYP A 15 -3.656 6.415 1.745 1.00 92.48 C +HETATM 88 C HYP A 15 -2.708 5.689 2.648 1.00 92.77 C +HETATM 89 O HYP A 15 -1.861 6.329 3.296 1.00 91.03 O +HETATM 90 CB HYP A 15 -3.045 6.609 0.342 1.00 88.24 C +HETATM 91 CG HYP A 15 -3.534 7.948 -0.120 1.00 86.80 C +HETATM 92 CD HYP A 15 -3.481 8.769 1.144 1.00 89.75 C +HETATM 93 OD1 HYP A 15 -4.842 7.868 -0.584 1.00 86.11 O +ATOM 94 N GLY A 16 -2.899 4.424 2.750 1.00 92.61 N +ATOM 95 CA GLY A 16 -1.998 3.626 3.528 1.00 92.26 C +ATOM 96 C GLY A 16 -0.628 3.574 2.885 1.00 93.12 C +ATOM 97 O GLY A 16 -0.430 4.064 1.773 1.00 92.33 O +ATOM 98 N PRO A 17 0.327 2.985 3.587 1.00 90.30 N +ATOM 99 CA PRO A 17 1.676 2.892 3.050 1.00 90.38 C +ATOM 100 C PRO A 17 1.743 1.908 1.897 1.00 90.93 C +ATOM 101 O PRO A 17 0.881 1.052 1.741 1.00 89.39 O +ATOM 102 CB PRO A 17 2.502 2.425 4.239 1.00 88.54 C +ATOM 103 CG PRO A 17 1.531 1.663 5.061 1.00 86.89 C +ATOM 104 CD PRO A 17 0.221 2.388 4.908 1.00 88.39 C +HETATM 105 N HYP A 18 2.781 2.059 1.088 1.00 88.16 N +HETATM 106 CA HYP A 18 3.000 1.117 0.038 1.00 87.19 C +HETATM 107 C HYP A 18 3.192 -0.271 0.560 1.00 89.76 C +HETATM 108 O HYP A 18 3.664 -0.455 1.692 1.00 88.28 O +HETATM 109 CB HYP A 18 4.306 1.637 -0.585 1.00 85.50 C +HETATM 110 CG HYP A 18 4.280 3.116 -0.323 1.00 83.88 C +HETATM 111 CD HYP A 18 3.686 3.167 1.082 1.00 88.11 C +HETATM 112 OD1 HYP A 18 3.403 3.761 -1.228 1.00 83.33 O +ATOM 113 N GLY A 19 2.774 -1.221 -0.217 1.00 86.61 N +ATOM 114 CA GLY A 19 2.966 -2.594 0.138 1.00 86.57 C +ATOM 115 C GLY A 19 4.439 -2.949 0.121 1.00 87.73 C +ATOM 116 O GLY A 19 5.278 -2.176 -0.335 1.00 87.74 O +ATOM 117 N PRO A 20 4.766 -4.122 0.621 1.00 84.11 N +ATOM 118 CA PRO A 20 6.155 -4.550 0.638 1.00 84.88 C +ATOM 119 C PRO A 20 6.663 -4.848 -0.757 1.00 85.03 C +ATOM 120 O PRO A 20 5.884 -5.083 -1.678 1.00 84.64 O +ATOM 121 CB PRO A 20 6.129 -5.801 1.505 1.00 82.57 C +ATOM 122 CG PRO A 20 4.753 -6.328 1.313 1.00 80.72 C +ATOM 123 CD PRO A 20 3.875 -5.113 1.192 1.00 82.00 C +HETATM 124 N HYP A 21 7.973 -4.828 -0.883 1.00 89.08 N +HETATM 125 CA HYP A 21 8.558 -5.172 -2.149 1.00 87.45 C +HETATM 126 C HYP A 21 8.198 -6.573 -2.577 1.00 89.49 C +HETATM 127 O HYP A 21 8.053 -7.459 -1.739 1.00 88.38 O +HETATM 128 CB HYP A 21 10.061 -5.100 -1.887 1.00 85.59 C +HETATM 129 CG HYP A 21 10.188 -4.129 -0.760 1.00 80.74 C +HETATM 130 CD HYP A 21 8.974 -4.422 0.091 1.00 87.51 C +HETATM 131 OD1 HYP A 21 10.086 -2.793 -1.259 1.00 80.82 O +ATOM 132 N GLY A 22 7.938 -6.728 -3.849 1.00 83.74 N +ATOM 133 CA GLY A 22 7.670 -8.024 -4.382 1.00 81.76 C +ATOM 134 C GLY A 22 8.943 -8.848 -4.427 1.00 82.04 C +ATOM 135 O GLY A 22 10.025 -8.352 -4.128 1.00 81.53 O +ATOM 136 N PRO A 23 8.836 -10.105 -4.812 1.00 86.04 N +ATOM 137 CA PRO A 23 10.021 -10.943 -4.926 1.00 87.26 C +ATOM 138 C PRO A 23 10.856 -10.499 -6.111 1.00 86.14 C +ATOM 139 O PRO A 23 10.416 -10.597 -7.254 1.00 82.28 O +ATOM 140 CB PRO A 23 9.450 -12.341 -5.113 1.00 83.07 C +ATOM 141 CG PRO A 23 8.128 -12.111 -5.751 1.00 79.98 C +ATOM 142 CD PRO A 23 7.618 -10.818 -5.167 1.00 83.15 C +HETATM 143 N HYP A 24 11.947 -9.936 -5.890 1.00 91.76 N +HETATM 144 CA HYP A 24 12.665 -9.151 -6.946 1.00 84.43 C +HETATM 145 C HYP A 24 12.137 -8.028 -7.491 1.00 90.26 C +HETATM 146 O HYP A 24 12.615 -6.818 -7.340 1.00 88.83 O +HETATM 147 CB HYP A 24 14.078 -9.389 -6.737 1.00 84.48 C +HETATM 148 CG HYP A 24 14.105 -10.758 -6.071 1.00 82.41 C +HETATM 149 CD HYP A 24 12.779 -10.813 -5.251 1.00 88.16 C +HETATM 150 OD1 HYP A 24 15.211 -10.913 -5.239 1.00 84.92 O +HETATM 151 OXT HYP A 24 11.505 -8.167 -8.631 1.00 84.37 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_212.txt b/protein_pdb_212.txt new file mode 100644 index 0000000000000000000000000000000000000000..f46a36dd8e4993e8317a6a714e29b0619bbc3aa8 --- /dev/null +++ b/protein_pdb_212.txt @@ -0,0 +1,224 @@ +ATOM 1 N GLY A 1 -7.788 -2.011 -22.729 1.00 73.63 N +ATOM 2 CA GLY A 1 -8.202 -2.974 -21.722 1.00 76.32 C +ATOM 3 C GLY A 1 -8.238 -2.360 -20.343 1.00 77.64 C +ATOM 4 O GLY A 1 -7.917 -1.183 -20.183 1.00 73.14 O +ATOM 5 N PRO A 2 -8.604 -3.130 -19.325 1.00 75.93 N +ATOM 6 CA PRO A 2 -8.677 -2.605 -17.969 1.00 79.38 C +ATOM 7 C PRO A 2 -7.305 -2.352 -17.379 1.00 79.80 C +ATOM 8 O PRO A 2 -6.300 -2.853 -17.869 1.00 76.93 O +ATOM 9 CB PRO A 2 -9.419 -3.698 -17.210 1.00 75.50 C +ATOM 10 CG PRO A 2 -9.059 -4.937 -17.944 1.00 70.41 C +ATOM 11 CD PRO A 2 -8.994 -4.532 -19.388 1.00 69.01 C +HETATM 12 N HYP A 3 -7.278 -1.591 -16.385 1.00 80.59 N +HETATM 13 CA HYP A 3 -6.058 -1.335 -15.626 1.00 78.77 C +HETATM 14 C HYP A 3 -5.471 -2.618 -15.063 1.00 80.09 C +HETATM 15 O HYP A 3 -6.230 -3.588 -14.796 1.00 81.14 O +HETATM 16 CB HYP A 3 -6.517 -0.428 -14.467 1.00 77.95 C +HETATM 17 CG HYP A 3 -7.737 0.277 -15.031 1.00 74.55 C +HETATM 18 CD HYP A 3 -8.410 -0.843 -15.892 1.00 78.80 C +HETATM 19 OD1 HYP A 3 -7.320 1.325 -15.864 1.00 77.75 O +ATOM 20 N GLY A 4 -4.178 -2.640 -14.945 1.00 83.50 N +ATOM 21 CA GLY A 4 -3.533 -3.780 -14.368 1.00 82.55 C +ATOM 22 C GLY A 4 -3.817 -3.872 -12.877 1.00 83.20 C +ATOM 23 O GLY A 4 -4.454 -2.984 -12.299 1.00 81.28 O +ATOM 24 N PRO A 5 -3.360 -4.946 -12.243 1.00 78.34 N +ATOM 25 CA PRO A 5 -3.610 -5.116 -10.815 1.00 78.39 C +ATOM 26 C PRO A 5 -2.778 -4.154 -9.984 1.00 78.23 C +ATOM 27 O PRO A 5 -1.784 -3.607 -10.442 1.00 76.52 O +ATOM 28 CB PRO A 5 -3.214 -6.567 -10.567 1.00 75.61 C +ATOM 29 CG PRO A 5 -2.177 -6.826 -11.594 1.00 74.35 C +ATOM 30 CD PRO A 5 -2.623 -6.069 -12.812 1.00 74.75 C +HETATM 31 N HYP A 6 -3.187 -3.971 -8.753 1.00 79.08 N +HETATM 32 CA HYP A 6 -2.439 -3.152 -7.830 1.00 85.08 C +HETATM 33 C HYP A 6 -1.053 -3.713 -7.599 1.00 79.37 C +HETATM 34 O HYP A 6 -0.855 -4.947 -7.700 1.00 77.54 O +HETATM 35 CB HYP A 6 -3.269 -3.249 -6.532 1.00 77.22 C +HETATM 36 CG HYP A 6 -4.689 -3.515 -6.999 1.00 74.85 C +HETATM 37 CD HYP A 6 -4.451 -4.442 -8.213 1.00 79.42 C +HETATM 38 OD1 HYP A 6 -5.268 -2.296 -7.433 1.00 76.11 O +ATOM 39 N GLY A 7 -0.126 -2.855 -7.339 1.00 83.31 N +ATOM 40 CA GLY A 7 1.212 -3.277 -7.032 1.00 81.15 C +ATOM 41 C GLY A 7 1.260 -3.956 -5.673 1.00 82.41 C +ATOM 42 O GLY A 7 0.258 -4.020 -4.957 1.00 80.45 O +ATOM 43 N PRO A 8 2.429 -4.469 -5.301 1.00 78.40 N +ATOM 44 CA PRO A 8 2.559 -5.150 -4.019 1.00 77.98 C +ATOM 45 C PRO A 8 2.482 -4.177 -2.852 1.00 77.63 C +ATOM 46 O PRO A 8 2.680 -2.978 -3.004 1.00 76.59 O +ATOM 47 CB PRO A 8 3.927 -5.813 -4.110 1.00 75.81 C +ATOM 48 CG PRO A 8 4.682 -4.940 -5.047 1.00 73.60 C +ATOM 49 CD PRO A 8 3.673 -4.482 -6.057 1.00 73.46 C +HETATM 50 N HYP A 9 2.194 -4.705 -1.662 1.00 79.88 N +HETATM 51 CA HYP A 9 2.167 -3.897 -0.472 1.00 87.45 C +HETATM 52 C HYP A 9 3.512 -3.291 -0.207 1.00 81.37 C +HETATM 53 O HYP A 9 4.556 -3.845 -0.583 1.00 81.35 O +HETATM 54 CB HYP A 9 1.831 -4.942 0.633 1.00 75.67 C +HETATM 55 CG HYP A 9 1.048 -6.018 -0.061 1.00 73.89 C +HETATM 56 CD HYP A 9 1.766 -6.079 -1.408 1.00 77.46 C +HETATM 57 OD1 HYP A 9 -0.292 -5.572 -0.263 1.00 73.71 O +ATOM 58 N GLY A 10 3.511 -2.126 0.384 1.00 87.11 N +ATOM 59 CA GLY A 10 4.736 -1.480 0.762 1.00 85.68 C +ATOM 60 C GLY A 10 5.408 -2.226 1.903 1.00 85.84 C +ATOM 61 O GLY A 10 4.864 -3.195 2.431 1.00 83.95 O +ATOM 62 N PRO A 11 6.602 -1.784 2.286 1.00 82.41 N +ATOM 63 CA PRO A 11 7.328 -2.457 3.361 1.00 82.45 C +ATOM 64 C PRO A 11 6.671 -2.229 4.716 1.00 82.04 C +ATOM 65 O PRO A 11 5.909 -1.284 4.903 1.00 81.00 O +ATOM 66 CB PRO A 11 8.714 -1.830 3.295 1.00 80.11 C +ATOM 67 CG PRO A 11 8.456 -0.474 2.751 1.00 78.33 C +ATOM 68 CD PRO A 11 7.352 -0.656 1.742 1.00 79.41 C +HETATM 69 N HYP A 12 6.979 -3.104 5.672 1.00 85.55 N +HETATM 70 CA HYP A 12 6.500 -2.952 6.992 1.00 89.89 C +HETATM 71 C HYP A 12 7.008 -1.680 7.596 1.00 82.68 C +HETATM 72 O HYP A 12 8.083 -1.202 7.246 1.00 82.74 O +HETATM 73 CB HYP A 12 7.076 -4.175 7.746 1.00 77.31 C +HETATM 74 CG HYP A 12 7.246 -5.225 6.696 1.00 73.47 C +HETATM 75 CD HYP A 12 7.646 -4.399 5.495 1.00 81.05 C +HETATM 76 OD1 HYP A 12 5.998 -5.863 6.439 1.00 79.75 O +ATOM 77 N GLY A 13 6.238 -1.087 8.463 1.00 85.80 N +ATOM 78 CA GLY A 13 6.663 0.093 9.169 1.00 82.88 C +ATOM 79 C GLY A 13 7.804 -0.240 10.114 1.00 83.00 C +ATOM 80 O GLY A 13 8.066 -1.413 10.406 1.00 81.49 O +ATOM 81 N PRO A 14 8.496 0.781 10.620 1.00 82.17 N +ATOM 82 CA PRO A 14 9.608 0.525 11.525 1.00 81.41 C +ATOM 83 C PRO A 14 9.144 0.041 12.893 1.00 81.33 C +ATOM 84 O PRO A 14 8.004 0.268 13.304 1.00 77.54 O +ATOM 85 CB PRO A 14 10.296 1.887 11.627 1.00 77.47 C +ATOM 86 CG PRO A 14 9.174 2.854 11.441 1.00 76.23 C +ATOM 87 CD PRO A 14 8.288 2.210 10.401 1.00 76.70 C +ATOM 88 N VAL A 15 10.051 -0.638 13.602 1.00 81.73 N +ATOM 89 CA VAL A 15 9.756 -1.052 14.969 1.00 82.01 C +ATOM 90 C VAL A 15 10.141 0.106 15.858 1.00 79.82 C +ATOM 91 O VAL A 15 11.265 0.614 15.792 1.00 75.08 O +ATOM 92 CB VAL A 15 10.520 -2.335 15.375 1.00 78.48 C +ATOM 93 CG1 VAL A 15 10.131 -3.485 14.482 1.00 69.36 C +ATOM 94 CG2 VAL A 15 12.018 -2.135 15.336 1.00 70.78 C +ATOM 95 N GLY A 16 9.206 0.547 16.652 1.00 79.82 N +ATOM 96 CA GLY A 16 9.493 1.611 17.592 1.00 75.54 C +ATOM 97 C GLY A 16 9.895 1.010 18.918 1.00 75.66 C +ATOM 98 O GLY A 16 9.837 -0.206 19.113 1.00 73.28 O +ATOM 99 N ALA A 17 10.308 1.843 19.853 1.00 66.90 N +ATOM 100 CA ALA A 17 10.664 1.366 21.179 1.00 72.38 C +ATOM 101 C ALA A 17 9.424 0.738 21.811 1.00 72.32 C +ATOM 102 O ALA A 17 8.360 1.368 21.866 1.00 68.61 O +ATOM 103 CB ALA A 17 11.184 2.511 22.032 1.00 68.20 C +ATOM 104 N ALA A 18 9.557 -0.478 22.280 1.00 68.48 N +ATOM 105 CA ALA A 18 8.461 -1.201 22.908 1.00 74.28 C +ATOM 106 C ALA A 18 7.229 -1.258 22.011 1.00 75.23 C +ATOM 107 O ALA A 18 6.089 -1.141 22.474 1.00 69.93 O +ATOM 108 CB ALA A 18 8.113 -0.583 24.264 1.00 69.69 C +ATOM 109 N SER A 19 7.444 -1.435 20.731 1.00 71.75 N +ATOM 110 CA SER A 19 6.347 -1.478 19.772 1.00 73.82 C +ATOM 111 C SER A 19 6.595 -2.565 18.739 1.00 75.49 C +ATOM 112 O SER A 19 7.739 -2.915 18.437 1.00 70.51 O +ATOM 113 CB SER A 19 6.181 -0.123 19.075 1.00 67.65 C +ATOM 114 OG SER A 19 5.142 -0.157 18.124 1.00 62.79 O +ATOM 115 N ALA A 20 5.522 -3.097 18.222 1.00 76.99 N +ATOM 116 CA ALA A 20 5.605 -4.101 17.184 1.00 79.43 C +ATOM 117 C ALA A 20 5.882 -3.436 15.846 1.00 80.62 C +ATOM 118 O ALA A 20 5.656 -2.236 15.669 1.00 74.63 O +ATOM 119 CB ALA A 20 4.310 -4.901 17.117 1.00 73.02 C +ATOM 120 N THR A 21 6.375 -4.214 14.905 1.00 81.58 N +ATOM 121 CA THR A 21 6.620 -3.715 13.565 1.00 83.69 C +ATOM 122 C THR A 21 5.310 -3.175 13.004 1.00 84.21 C +ATOM 123 O THR A 21 4.256 -3.789 13.180 1.00 79.81 O +ATOM 124 CB THR A 21 7.149 -4.834 12.669 1.00 79.42 C +ATOM 125 OG1 THR A 21 8.330 -5.385 13.242 1.00 73.97 O +ATOM 126 CG2 THR A 21 7.466 -4.324 11.274 1.00 70.15 C +ATOM 127 N GLY A 22 5.377 -2.055 12.329 1.00 85.85 N +ATOM 128 CA GLY A 22 4.188 -1.474 11.746 1.00 84.61 C +ATOM 129 C GLY A 22 3.637 -2.327 10.623 1.00 85.92 C +ATOM 130 O GLY A 22 4.308 -3.236 10.125 1.00 85.49 O +ATOM 131 N PRO A 23 2.406 -2.068 10.209 1.00 84.30 N +ATOM 132 CA PRO A 23 1.796 -2.847 9.142 1.00 84.06 C +ATOM 133 C PRO A 23 2.450 -2.543 7.803 1.00 85.21 C +ATOM 134 O PRO A 23 3.100 -1.520 7.633 1.00 83.51 O +ATOM 135 CB PRO A 23 0.337 -2.413 9.169 1.00 81.51 C +ATOM 136 CG PRO A 23 0.393 -1.022 9.689 1.00 80.07 C +ATOM 137 CD PRO A 23 1.496 -1.039 10.717 1.00 79.99 C +HETATM 138 N HYP A 24 2.242 -3.427 6.869 1.00 81.89 N +HETATM 139 CA HYP A 24 2.719 -3.205 5.553 1.00 83.87 C +HETATM 140 C HYP A 24 2.076 -1.965 4.977 1.00 81.88 C +HETATM 141 O HYP A 24 0.947 -1.604 5.375 1.00 82.07 O +HETATM 142 CB HYP A 24 2.286 -4.457 4.804 1.00 78.60 C +HETATM 143 CG HYP A 24 2.228 -5.536 5.859 1.00 75.99 C +HETATM 144 CD HYP A 24 1.700 -4.758 7.066 1.00 81.64 C +HETATM 145 OD1 HYP A 24 3.524 -6.008 6.125 1.00 79.75 O +ATOM 146 N GLY A 25 2.780 -1.329 4.099 1.00 83.91 N +ATOM 147 CA GLY A 25 2.234 -0.174 3.429 1.00 82.66 C +ATOM 148 C GLY A 25 1.107 -0.592 2.502 1.00 83.24 C +ATOM 149 O GLY A 25 0.869 -1.787 2.291 1.00 81.53 O +ATOM 150 N PRO A 26 0.399 0.377 1.938 1.00 77.63 N +ATOM 151 CA PRO A 26 -0.702 0.061 1.041 1.00 76.69 C +ATOM 152 C PRO A 26 -0.208 -0.522 -0.271 1.00 76.80 C +ATOM 153 O PRO A 26 0.950 -0.364 -0.643 1.00 75.00 O +ATOM 154 CB PRO A 26 -1.387 1.407 0.838 1.00 74.67 C +ATOM 155 CG PRO A 26 -0.295 2.392 1.021 1.00 72.63 C +ATOM 156 CD PRO A 26 0.569 1.822 2.113 1.00 71.20 C +HETATM 157 N HYP A 27 -1.086 -1.207 -0.980 1.00 76.37 N +HETATM 158 CA HYP A 27 -0.754 -1.710 -2.271 1.00 80.85 C +HETATM 159 C HYP A 27 -0.404 -0.573 -3.213 1.00 80.66 C +HETATM 160 O HYP A 27 -0.882 0.562 -3.047 1.00 76.52 O +HETATM 161 CB HYP A 27 -2.061 -2.401 -2.715 1.00 70.54 C +HETATM 162 CG HYP A 27 -2.716 -2.842 -1.429 1.00 67.75 C +HETATM 163 CD HYP A 27 -2.400 -1.678 -0.509 1.00 78.64 C +HETATM 164 OD1 HYP A 27 -2.079 -4.014 -0.959 1.00 73.06 O +ATOM 165 N GLY A 28 0.449 -0.878 -4.144 1.00 79.93 N +ATOM 166 CA GLY A 28 0.813 0.095 -5.138 1.00 77.96 C +ATOM 167 C GLY A 28 -0.371 0.415 -6.026 1.00 79.91 C +ATOM 168 O GLY A 28 -1.435 -0.210 -5.925 1.00 77.90 O +ATOM 169 N PRO A 29 -0.205 1.386 -6.904 1.00 68.51 N +ATOM 170 CA PRO A 29 -1.296 1.775 -7.784 1.00 69.17 C +ATOM 171 C PRO A 29 -1.575 0.722 -8.840 1.00 69.44 C +ATOM 172 O PRO A 29 -0.735 -0.122 -9.138 1.00 70.45 O +ATOM 173 CB PRO A 29 -0.796 3.076 -8.403 1.00 67.90 C +ATOM 174 CG PRO A 29 0.678 2.910 -8.405 1.00 65.95 C +ATOM 175 CD PRO A 29 0.994 2.183 -7.122 1.00 64.15 C +HETATM 176 N HYP A 30 -2.767 0.780 -9.419 1.00 76.09 N +HETATM 177 CA HYP A 30 -3.099 -0.101 -10.489 1.00 82.28 C +HETATM 178 C HYP A 30 -2.157 0.092 -11.673 1.00 79.55 C +HETATM 179 O HYP A 30 -1.624 1.195 -11.860 1.00 79.43 O +HETATM 180 CB HYP A 30 -4.518 0.305 -10.877 1.00 75.19 C +HETATM 181 CG HYP A 30 -5.106 0.867 -9.593 1.00 72.99 C +HETATM 182 CD HYP A 30 -3.898 1.578 -8.992 1.00 77.29 C +HETATM 183 OD1 HYP A 30 -5.502 -0.196 -8.745 1.00 74.17 O +ATOM 184 N GLY A 31 -1.924 -0.946 -12.394 1.00 75.64 N +ATOM 185 CA GLY A 31 -1.097 -0.854 -13.561 1.00 74.37 C +ATOM 186 C GLY A 31 -1.777 -0.025 -14.637 1.00 74.43 C +ATOM 187 O GLY A 31 -2.934 0.371 -14.503 1.00 72.93 O +ATOM 188 N PRO A 32 -1.065 0.236 -15.717 1.00 73.80 N +ATOM 189 CA PRO A 32 -1.637 1.032 -16.791 1.00 73.36 C +ATOM 190 C PRO A 32 -2.723 0.277 -17.538 1.00 72.64 C +ATOM 191 O PRO A 32 -2.810 -0.944 -17.469 1.00 73.32 O +ATOM 192 CB PRO A 32 -0.440 1.323 -17.684 1.00 71.37 C +ATOM 193 CG PRO A 32 0.462 0.165 -17.449 1.00 69.64 C +ATOM 194 CD PRO A 32 0.306 -0.164 -15.996 1.00 68.53 C +HETATM 195 N HYP A 33 -3.565 1.013 -18.269 1.00 80.45 N +HETATM 196 CA HYP A 33 -4.556 0.398 -19.054 1.00 78.38 C +HETATM 197 C HYP A 33 -3.971 -0.530 -20.095 1.00 80.95 C +HETATM 198 O HYP A 33 -2.868 -0.274 -20.578 1.00 82.94 O +HETATM 199 CB HYP A 33 -5.335 1.520 -19.691 1.00 76.34 C +HETATM 200 CG HYP A 33 -5.152 2.669 -18.719 1.00 71.99 C +HETATM 201 CD HYP A 33 -3.741 2.444 -18.210 1.00 79.48 C +HETATM 202 OD1 HYP A 33 -6.061 2.554 -17.625 1.00 73.91 O +ATOM 203 N GLY A 34 -4.620 -1.630 -20.360 1.00 74.12 N +ATOM 204 CA GLY A 34 -4.145 -2.556 -21.347 1.00 71.38 C +ATOM 205 C GLY A 34 -4.327 -1.979 -22.740 1.00 70.30 C +ATOM 206 O GLY A 34 -4.866 -0.884 -22.909 1.00 69.10 O +ATOM 207 N PRO A 35 -3.911 -2.723 -23.773 1.00 73.74 N +ATOM 208 CA PRO A 35 -4.074 -2.244 -25.140 1.00 76.16 C +ATOM 209 C PRO A 35 -5.545 -2.122 -25.484 1.00 74.23 C +ATOM 210 O PRO A 35 -6.402 -2.752 -24.870 1.00 72.12 O +ATOM 211 CB PRO A 35 -3.394 -3.305 -25.995 1.00 72.83 C +ATOM 212 CG PRO A 35 -2.869 -4.320 -25.077 1.00 67.90 C +ATOM 213 CD PRO A 35 -3.299 -4.030 -23.690 1.00 67.05 C +HETATM 214 N HYP A 36 -5.897 -1.391 -26.471 1.00 77.08 N +HETATM 215 CA HYP A 36 -7.281 -1.210 -26.784 1.00 67.90 C +HETATM 216 C HYP A 36 -8.134 -2.416 -26.553 1.00 69.07 C +HETATM 217 O HYP A 36 -8.078 -3.354 -27.377 1.00 70.55 O +HETATM 218 CB HYP A 36 -7.348 -0.650 -28.158 1.00 68.23 C +HETATM 219 CG HYP A 36 -5.945 -0.220 -28.485 1.00 66.88 C +HETATM 220 CD HYP A 36 -5.035 -0.977 -27.525 1.00 74.05 C +HETATM 221 OD1 HYP A 36 -5.789 1.171 -28.195 1.00 69.01 O +HETATM 222 OXT HYP A 36 -8.781 -2.419 -25.481 1.00 65.43 O +TER 223 HYP A 36 +END diff --git a/protein_pdb_213.txt b/protein_pdb_213.txt new file mode 100644 index 0000000000000000000000000000000000000000..91cd3ee4d3e1e58e5e37a67537035b1cc859a2d5 --- /dev/null +++ b/protein_pdb_213.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 1.053 -15.338 -7.347 1.00 88.71 N +ATOM 2 CA GLY A 1 0.147 -14.294 -7.702 1.00 89.44 C +ATOM 3 C GLY A 1 0.814 -12.954 -7.935 1.00 90.03 C +ATOM 4 O GLY A 1 2.018 -12.809 -7.738 1.00 87.23 O +ATOM 5 N PRO A 2 0.048 -12.001 -8.329 1.00 90.21 N +ATOM 6 CA PRO A 2 0.565 -10.672 -8.605 1.00 90.79 C +ATOM 7 C PRO A 2 0.877 -9.898 -7.341 1.00 90.73 C +ATOM 8 O PRO A 2 0.490 -10.286 -6.243 1.00 88.07 O +ATOM 9 CB PRO A 2 -0.581 -10.023 -9.388 1.00 87.46 C +ATOM 10 CG PRO A 2 -1.792 -10.682 -8.833 1.00 84.10 C +ATOM 11 CD PRO A 2 -1.385 -12.105 -8.586 1.00 86.46 C +HETATM 12 N HYP A 3 1.585 -8.795 -7.526 1.00 88.27 N +HETATM 13 CA HYP A 3 1.903 -7.941 -6.386 1.00 86.45 C +HETATM 14 C HYP A 3 0.649 -7.450 -5.684 1.00 88.35 C +HETATM 15 O HYP A 3 -0.411 -7.304 -6.334 1.00 91.49 O +HETATM 16 CB HYP A 3 2.645 -6.761 -7.066 1.00 86.61 C +HETATM 17 CG HYP A 3 3.259 -7.390 -8.285 1.00 83.64 C +HETATM 18 CD HYP A 3 2.177 -8.369 -8.750 1.00 88.17 C +HETATM 19 OD1 HYP A 3 4.399 -8.089 -7.908 1.00 86.10 O +ATOM 20 N GLY A 4 0.744 -7.295 -4.404 1.00 91.50 N +ATOM 21 CA GLY A 4 -0.365 -6.813 -3.629 1.00 91.05 C +ATOM 22 C GLY A 4 -0.667 -5.360 -3.943 1.00 92.34 C +ATOM 23 O GLY A 4 0.034 -4.714 -4.717 1.00 91.86 O +ATOM 24 N PRO A 5 -1.728 -4.829 -3.345 1.00 90.90 N +ATOM 25 CA PRO A 5 -2.109 -3.447 -3.583 1.00 90.88 C +ATOM 26 C PRO A 5 -1.115 -2.482 -2.962 1.00 91.11 C +ATOM 27 O PRO A 5 -0.352 -2.836 -2.070 1.00 89.33 O +ATOM 28 CB PRO A 5 -3.479 -3.339 -2.924 1.00 88.81 C +ATOM 29 CG PRO A 5 -3.427 -4.353 -1.834 1.00 87.35 C +ATOM 30 CD PRO A 5 -2.621 -5.489 -2.407 1.00 89.73 C +HETATM 31 N HYP A 6 -1.121 -1.261 -3.461 1.00 90.89 N +HETATM 32 CA HYP A 6 -0.292 -0.206 -2.888 1.00 92.55 C +HETATM 33 C HYP A 6 -0.583 0.030 -1.435 1.00 92.06 C +HETATM 34 O HYP A 6 -1.722 -0.210 -0.962 1.00 92.56 O +HETATM 35 CB HYP A 6 -0.739 1.006 -3.742 1.00 88.25 C +HETATM 36 CG HYP A 6 -1.143 0.394 -5.053 1.00 88.45 C +HETATM 37 CD HYP A 6 -1.855 -0.878 -4.617 1.00 90.59 C +HETATM 38 OD1 HYP A 6 0.017 0.073 -5.794 1.00 88.57 O +ATOM 39 N GLY A 7 0.418 0.396 -0.720 1.00 92.71 N +ATOM 40 CA GLY A 7 0.268 0.695 0.678 1.00 91.96 C +ATOM 41 C GLY A 7 -0.603 1.919 0.885 1.00 92.52 C +ATOM 42 O GLY A 7 -1.024 2.569 -0.068 1.00 92.12 O +ATOM 43 N PRO A 8 -0.880 2.238 2.136 1.00 92.82 N +ATOM 44 CA PRO A 8 -1.727 3.384 2.433 1.00 92.56 C +ATOM 45 C PRO A 8 -1.031 4.695 2.098 1.00 92.91 C +ATOM 46 O PRO A 8 0.185 4.800 2.104 1.00 90.62 O +ATOM 47 CB PRO A 8 -1.994 3.252 3.929 1.00 89.83 C +ATOM 48 CG PRO A 8 -0.804 2.522 4.433 1.00 88.55 C +ATOM 49 CD PRO A 8 -0.440 1.551 3.337 1.00 90.61 C +HETATM 50 N HYP A 9 -1.819 5.717 1.836 1.00 90.87 N +HETATM 51 CA HYP A 9 -1.307 7.009 1.545 1.00 87.79 C +HETATM 52 C HYP A 9 -0.670 7.643 2.758 1.00 90.15 C +HETATM 53 O HYP A 9 -1.010 7.315 3.898 1.00 90.64 O +HETATM 54 CB HYP A 9 -2.595 7.836 1.230 1.00 85.55 C +HETATM 55 CG HYP A 9 -3.613 6.847 0.859 1.00 86.27 C +HETATM 56 CD HYP A 9 -3.284 5.631 1.653 1.00 90.26 C +HETATM 57 OD1 HYP A 9 -3.460 6.538 -0.512 1.00 85.84 O +ATOM 58 N GLY A 10 0.247 8.515 2.560 1.00 91.46 N +ATOM 59 CA GLY A 10 0.734 9.342 3.636 1.00 89.17 C +ATOM 60 C GLY A 10 -0.351 10.334 4.017 1.00 89.53 C +ATOM 61 O GLY A 10 -1.475 10.276 3.511 1.00 87.89 O +ATOM 62 N VAL A 11 -0.024 11.259 4.898 1.00 91.39 N +ATOM 63 CA VAL A 11 -1.017 12.240 5.325 1.00 92.96 C +ATOM 64 C VAL A 11 -1.646 12.929 4.120 1.00 93.25 C +ATOM 65 O VAL A 11 -2.862 13.124 4.059 1.00 91.52 O +ATOM 66 CB VAL A 11 -0.382 13.267 6.286 1.00 91.25 C +ATOM 67 CG1 VAL A 11 -1.400 14.310 6.693 1.00 85.65 C +ATOM 68 CG2 VAL A 11 0.168 12.560 7.511 1.00 85.52 C +ATOM 69 N GLN A 12 -0.821 13.276 3.162 1.00 91.80 N +ATOM 70 CA GLN A 12 -1.272 13.773 1.875 1.00 92.51 C +ATOM 71 C GLN A 12 -0.318 13.236 0.810 1.00 92.48 C +ATOM 72 O GLN A 12 -0.163 13.818 -0.259 1.00 87.64 O +ATOM 73 CB GLN A 12 -1.303 15.310 1.878 1.00 89.63 C +ATOM 74 CG GLN A 12 -2.136 15.928 0.763 1.00 84.67 C +ATOM 75 CD GLN A 12 -3.610 15.586 0.865 1.00 79.25 C +ATOM 76 OE1 GLN A 12 -4.268 15.945 1.828 1.00 73.43 O +ATOM 77 NE2 GLN A 12 -4.124 14.885 -0.129 1.00 72.67 N +ATOM 78 N GLY A 13 0.321 12.143 1.145 1.00 94.06 N +ATOM 79 CA GLY A 13 1.357 11.579 0.315 1.00 93.19 C +ATOM 80 C GLY A 13 0.880 10.467 -0.583 1.00 93.54 C +ATOM 81 O GLY A 13 -0.292 10.080 -0.568 1.00 92.96 O +ATOM 82 N PRO A 14 1.784 9.939 -1.375 1.00 93.63 N +ATOM 83 CA PRO A 14 1.455 8.876 -2.311 1.00 93.47 C +ATOM 84 C PRO A 14 1.231 7.551 -1.605 1.00 93.51 C +ATOM 85 O PRO A 14 1.659 7.345 -0.479 1.00 92.02 O +ATOM 86 CB PRO A 14 2.678 8.818 -3.222 1.00 91.55 C +ATOM 87 CG PRO A 14 3.793 9.222 -2.326 1.00 90.67 C +ATOM 88 CD PRO A 14 3.204 10.288 -1.439 1.00 92.06 C +HETATM 89 N HYP A 15 0.577 6.706 -2.300 1.00 92.17 N +HETATM 90 CA HYP A 15 0.417 5.350 -1.818 1.00 91.26 C +HETATM 91 C HYP A 15 1.736 4.670 -1.637 1.00 93.58 C +HETATM 92 O HYP A 15 2.718 5.032 -2.324 1.00 93.34 O +HETATM 93 CB HYP A 15 -0.396 4.743 -2.980 1.00 89.69 C +HETATM 94 CG HYP A 15 -1.129 5.904 -3.616 1.00 88.50 C +HETATM 95 CD HYP A 15 -0.131 7.016 -3.535 1.00 92.17 C +HETATM 96 OD1 HYP A 15 -2.277 6.231 -2.882 1.00 89.74 O +ATOM 97 N GLY A 16 1.789 3.752 -0.734 1.00 93.53 N +ATOM 98 CA GLY A 16 2.984 2.975 -0.553 1.00 92.95 C +ATOM 99 C GLY A 16 3.222 2.061 -1.739 1.00 93.64 C +ATOM 100 O GLY A 16 2.407 1.991 -2.658 1.00 92.98 O +ATOM 101 N PRO A 17 4.352 1.359 -1.718 1.00 91.71 N +ATOM 102 CA PRO A 17 4.664 0.454 -2.816 1.00 91.35 C +ATOM 103 C PRO A 17 3.731 -0.745 -2.837 1.00 92.13 C +ATOM 104 O PRO A 17 3.087 -1.068 -1.841 1.00 90.17 O +ATOM 105 CB PRO A 17 6.108 0.049 -2.538 1.00 89.26 C +ATOM 106 CG PRO A 17 6.244 0.199 -1.066 1.00 88.08 C +ATOM 107 CD PRO A 17 5.387 1.369 -0.700 1.00 89.88 C +HETATM 108 N HYP A 18 3.657 -1.397 -3.984 1.00 87.49 N +HETATM 109 CA HYP A 18 2.888 -2.598 -4.084 1.00 86.46 C +HETATM 110 C HYP A 18 3.354 -3.657 -3.132 1.00 88.77 C +HETATM 111 O HYP A 18 4.554 -3.713 -2.788 1.00 89.98 O +HETATM 112 CB HYP A 18 3.183 -3.015 -5.551 1.00 84.83 C +HETATM 113 CG HYP A 18 3.443 -1.721 -6.259 1.00 84.51 C +HETATM 114 CD HYP A 18 4.232 -0.938 -5.228 1.00 89.82 C +HETATM 115 OD1 HYP A 18 2.220 -1.071 -6.540 1.00 87.39 O +ATOM 116 N GLY A 19 2.441 -4.429 -2.663 1.00 85.64 N +ATOM 117 CA GLY A 19 2.763 -5.504 -1.770 1.00 84.97 C +ATOM 118 C GLY A 19 3.571 -6.578 -2.466 1.00 84.84 C +ATOM 119 O GLY A 19 3.789 -6.525 -3.674 1.00 85.05 O +ATOM 120 N PRO A 20 4.020 -7.562 -1.701 1.00 84.00 N +ATOM 121 CA PRO A 20 4.802 -8.640 -2.282 1.00 84.47 C +ATOM 122 C PRO A 20 3.956 -9.516 -3.182 1.00 83.94 C +ATOM 123 O PRO A 20 2.728 -9.501 -3.108 1.00 83.99 O +ATOM 124 CB PRO A 20 5.301 -9.404 -1.057 1.00 82.27 C +ATOM 125 CG PRO A 20 4.238 -9.155 -0.040 1.00 79.80 C +ATOM 126 CD PRO A 20 3.795 -7.743 -0.282 1.00 81.71 C +HETATM 127 N HYP A 21 4.631 -10.255 -4.031 1.00 86.06 N +HETATM 128 CA HYP A 21 3.934 -11.200 -4.870 1.00 85.89 C +HETATM 129 C HYP A 21 3.085 -12.178 -4.091 1.00 86.05 C +HETATM 130 O HYP A 21 3.474 -12.557 -2.990 1.00 90.55 O +HETATM 131 CB HYP A 21 5.022 -11.897 -5.639 1.00 85.01 C +HETATM 132 CG HYP A 21 6.137 -10.911 -5.675 1.00 80.43 C +HETATM 133 CD HYP A 21 6.059 -10.245 -4.332 1.00 87.52 C +HETATM 134 OD1 HYP A 21 5.891 -9.940 -6.693 1.00 82.44 O +ATOM 135 N GLY A 22 1.942 -12.478 -4.591 1.00 84.84 N +ATOM 136 CA GLY A 22 1.076 -13.422 -3.954 1.00 81.75 C +ATOM 137 C GLY A 22 1.658 -14.822 -4.050 1.00 81.34 C +ATOM 138 O GLY A 22 2.682 -15.035 -4.693 1.00 80.72 O +ATOM 139 N PRO A 23 0.998 -15.802 -3.437 1.00 88.80 N +ATOM 140 CA PRO A 23 1.480 -17.172 -3.506 1.00 88.85 C +ATOM 141 C PRO A 23 1.280 -17.725 -4.905 1.00 87.70 C +ATOM 142 O PRO A 23 0.146 -17.939 -5.334 1.00 84.82 O +ATOM 143 CB PRO A 23 0.627 -17.896 -2.469 1.00 85.66 C +ATOM 144 CG PRO A 23 -0.627 -17.095 -2.406 1.00 82.38 C +ATOM 145 CD PRO A 23 -0.204 -15.670 -2.650 1.00 85.54 C +HETATM 146 N HYP A 24 2.201 -17.817 -5.681 1.00 91.77 N +HETATM 147 CA HYP A 24 2.183 -17.850 -7.177 1.00 86.33 C +HETATM 148 C HYP A 24 1.681 -16.866 -7.959 1.00 90.85 C +HETATM 149 O HYP A 24 0.711 -17.053 -8.839 1.00 91.59 O +HETATM 150 CB HYP A 24 3.169 -18.905 -7.532 1.00 85.86 C +HETATM 151 CG HYP A 24 3.312 -19.758 -6.252 1.00 85.55 C +HETATM 152 CD HYP A 24 2.621 -18.999 -5.117 1.00 89.38 C +HETATM 153 OD1 HYP A 24 4.684 -19.874 -5.884 1.00 87.52 O +HETATM 154 OXT HYP A 24 2.568 -15.948 -8.482 1.00 87.44 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_214.txt b/protein_pdb_214.txt new file mode 100644 index 0000000000000000000000000000000000000000..bf84dbb1a1841e24ca5f426127f7afe7b0b7545d --- /dev/null +++ b/protein_pdb_214.txt @@ -0,0 +1,150 @@ +ATOM 1 N GLY A 1 -16.151 -8.813 32.448 1.00 80.63 N +ATOM 2 CA GLY A 1 -15.833 -9.828 31.447 1.00 84.73 C +ATOM 3 C GLY A 1 -14.619 -9.433 30.637 1.00 85.33 C +ATOM 4 O GLY A 1 -14.163 -8.292 30.708 1.00 82.21 O +ATOM 5 N PRO A 2 -14.074 -10.348 29.860 1.00 78.23 N +ATOM 6 CA PRO A 2 -12.891 -10.043 29.054 1.00 84.65 C +ATOM 7 C PRO A 2 -13.222 -9.087 27.918 1.00 85.22 C +ATOM 8 O PRO A 2 -14.362 -9.001 27.475 1.00 83.77 O +ATOM 9 CB PRO A 2 -12.452 -11.411 28.519 1.00 81.76 C +ATOM 10 CG PRO A 2 -13.722 -12.190 28.470 1.00 78.14 C +ATOM 11 CD PRO A 2 -14.508 -11.737 29.680 1.00 79.15 C +HETATM 12 N HYP A 3 -12.293 -8.399 27.529 1.00 82.56 N +HETATM 13 CA HYP A 3 -12.415 -7.483 26.321 1.00 82.87 C +HETATM 14 C HYP A 3 -12.828 -8.274 25.105 1.00 75.35 C +HETATM 15 O HYP A 3 -12.493 -9.455 24.955 1.00 83.04 O +HETATM 16 CB HYP A 3 -10.990 -6.951 26.195 1.00 77.28 C +HETATM 17 CG HYP A 3 -10.352 -7.065 27.564 1.00 76.96 C +HETATM 18 CD HYP A 3 -10.961 -8.362 28.118 1.00 77.65 C +HETATM 19 OD1 HYP A 3 -10.731 -5.995 28.400 1.00 83.38 O +ATOM 20 N GLY A 4 -13.554 -7.600 24.217 1.00 89.74 N +ATOM 21 CA GLY A 4 -13.958 -8.218 22.978 1.00 89.27 C +ATOM 22 C GLY A 4 -12.770 -8.398 22.041 1.00 89.01 C +ATOM 23 O GLY A 4 -11.682 -7.868 22.291 1.00 87.47 O +ATOM 24 N PRO A 5 -12.973 -9.132 20.951 1.00 86.41 N +ATOM 25 CA PRO A 5 -11.876 -9.364 20.009 1.00 86.75 C +ATOM 26 C PRO A 5 -11.523 -8.092 19.246 1.00 85.94 C +ATOM 27 O PRO A 5 -12.332 -7.183 19.122 1.00 84.31 O +ATOM 28 CB PRO A 5 -12.429 -10.444 19.080 1.00 84.48 C +ATOM 29 CG PRO A 5 -13.898 -10.215 19.123 1.00 83.38 C +ATOM 30 CD PRO A 5 -14.190 -9.810 20.551 1.00 84.90 C +HETATM 31 N HYP A 6 -10.328 -8.048 18.773 1.00 87.87 N +HETATM 32 CA HYP A 6 -9.905 -6.907 17.890 1.00 88.65 C +HETATM 33 C HYP A 6 -10.719 -6.837 16.658 1.00 87.47 C +HETATM 34 O HYP A 6 -11.203 -7.861 16.149 1.00 87.56 O +HETATM 35 CB HYP A 6 -8.454 -7.273 17.584 1.00 84.97 C +HETATM 36 CG HYP A 6 -7.997 -8.123 18.753 1.00 82.53 C +HETATM 37 CD HYP A 6 -9.221 -8.913 19.086 1.00 87.28 C +HETATM 38 OD1 HYP A 6 -7.618 -7.315 19.841 1.00 83.71 O +ATOM 39 N GLY A 7 -10.916 -5.605 16.133 1.00 89.41 N +ATOM 40 CA GLY A 7 -11.649 -5.401 14.904 1.00 88.66 C +ATOM 41 C GLY A 7 -10.847 -5.879 13.704 1.00 89.73 C +ATOM 42 O GLY A 7 -9.675 -6.243 13.824 1.00 88.86 O +ATOM 43 N PRO A 8 -11.468 -5.873 12.528 1.00 84.51 N +ATOM 44 CA PRO A 8 -10.773 -6.323 11.319 1.00 84.88 C +ATOM 45 C PRO A 8 -9.713 -5.319 10.883 1.00 84.60 C +ATOM 46 O PRO A 8 -9.775 -4.144 11.219 1.00 81.87 O +ATOM 47 CB PRO A 8 -11.889 -6.443 10.292 1.00 82.14 C +ATOM 48 CG PRO A 8 -12.876 -5.418 10.743 1.00 83.12 C +ATOM 49 CD PRO A 8 -12.838 -5.476 12.252 1.00 83.99 C +HETATM 50 N HYP A 9 -8.770 -5.760 10.132 1.00 85.88 N +HETATM 51 CA HYP A 9 -7.738 -4.888 9.552 1.00 84.39 C +HETATM 52 C HYP A 9 -8.321 -3.908 8.622 1.00 85.06 C +HETATM 53 O HYP A 9 -9.294 -4.199 7.908 1.00 83.42 O +HETATM 54 CB HYP A 9 -6.832 -5.891 8.807 1.00 84.02 C +HETATM 55 CG HYP A 9 -7.003 -7.169 9.556 1.00 79.96 C +HETATM 56 CD HYP A 9 -8.458 -7.142 9.912 1.00 85.20 C +HETATM 57 OD1 HYP A 9 -6.219 -7.172 10.716 1.00 83.04 O +ATOM 58 N GLY A 10 -7.740 -2.682 8.538 1.00 87.85 N +ATOM 59 CA GLY A 10 -8.208 -1.651 7.642 1.00 86.34 C +ATOM 60 C GLY A 10 -7.996 -2.039 6.189 1.00 86.51 C +ATOM 61 O GLY A 10 -7.189 -2.916 5.866 1.00 84.65 O +ATOM 62 N ALA A 11 -8.724 -1.378 5.318 1.00 83.84 N +ATOM 63 CA ALA A 11 -8.594 -1.625 3.891 1.00 83.98 C +ATOM 64 C ALA A 11 -7.238 -1.138 3.394 1.00 83.12 C +ATOM 65 O ALA A 11 -6.647 -0.212 3.953 1.00 79.72 O +ATOM 66 CB ALA A 11 -9.710 -0.924 3.137 1.00 80.50 C +ATOM 67 N ALA A 12 -6.751 -1.763 2.324 1.00 79.10 N +ATOM 68 CA ALA A 12 -5.489 -1.349 1.734 1.00 78.80 C +ATOM 69 C ALA A 12 -5.611 0.083 1.231 1.00 78.56 C +ATOM 70 O ALA A 12 -6.676 0.507 0.779 1.00 73.40 O +ATOM 71 CB ALA A 12 -5.104 -2.276 0.585 1.00 75.25 C +ATOM 72 N GLY A 13 -4.527 0.822 1.331 1.00 83.78 N +ATOM 73 CA GLY A 13 -4.526 2.196 0.871 1.00 82.27 C +ATOM 74 C GLY A 13 -4.577 2.293 -0.642 1.00 83.21 C +ATOM 75 O GLY A 13 -4.451 1.285 -1.342 1.00 83.69 O +ATOM 76 N PRO A 14 -4.759 3.507 -1.180 1.00 77.90 N +ATOM 77 CA PRO A 14 -4.824 3.698 -2.624 1.00 79.88 C +ATOM 78 C PRO A 14 -3.452 3.526 -3.268 1.00 79.91 C +ATOM 79 O PRO A 14 -2.428 3.589 -2.597 1.00 79.36 O +ATOM 80 CB PRO A 14 -5.331 5.131 -2.769 1.00 77.90 C +ATOM 81 CG PRO A 14 -4.814 5.804 -1.549 1.00 77.33 C +ATOM 82 CD PRO A 14 -4.935 4.770 -0.459 1.00 76.84 C +HETATM 83 N HYP A 15 -3.428 3.320 -4.598 1.00 74.58 N +HETATM 84 CA HYP A 15 -2.184 3.251 -5.341 1.00 72.87 C +HETATM 85 C HYP A 15 -1.354 4.498 -5.219 1.00 71.48 C +HETATM 86 O HYP A 15 -1.925 5.590 -5.044 1.00 76.00 O +HETATM 87 CB HYP A 15 -2.692 3.077 -6.777 1.00 72.35 C +HETATM 88 CG HYP A 15 -4.040 2.409 -6.615 1.00 73.84 C +HETATM 89 CD HYP A 15 -4.579 3.041 -5.389 1.00 78.59 C +HETATM 90 OD1 HYP A 15 -3.919 1.039 -6.416 1.00 79.37 O +ATOM 91 N GLY A 16 -0.065 4.371 -5.199 1.00 88.90 N +ATOM 92 CA GLY A 16 0.802 5.512 -5.123 1.00 87.56 C +ATOM 93 C GLY A 16 0.747 6.334 -6.399 1.00 88.33 C +ATOM 94 O GLY A 16 0.154 5.906 -7.399 1.00 87.63 O +ATOM 95 N PRO A 17 1.373 7.516 -6.397 1.00 74.01 N +ATOM 96 CA PRO A 17 1.365 8.369 -7.584 1.00 74.59 C +ATOM 97 C PRO A 17 2.232 7.782 -8.695 1.00 73.93 C +ATOM 98 O PRO A 17 3.112 6.961 -8.444 1.00 74.42 O +ATOM 99 CB PRO A 17 1.925 9.690 -7.073 1.00 73.61 C +ATOM 100 CG PRO A 17 2.806 9.287 -5.941 1.00 72.25 C +ATOM 101 CD PRO A 17 2.090 8.131 -5.286 1.00 69.83 C +HETATM 102 N HYP A 18 2.007 8.186 -9.941 1.00 78.37 N +HETATM 103 CA HYP A 18 2.836 7.811 -11.055 1.00 82.56 C +HETATM 104 C HYP A 18 4.262 8.231 -10.914 1.00 74.49 C +HETATM 105 O HYP A 18 4.553 9.273 -10.294 1.00 82.21 O +HETATM 106 CB HYP A 18 2.168 8.513 -12.230 1.00 77.34 C +HETATM 107 CG HYP A 18 0.729 8.640 -11.841 1.00 78.41 C +HETATM 108 CD HYP A 18 0.827 8.884 -10.366 1.00 80.53 C +HETATM 109 OD1 HYP A 18 0.012 7.462 -12.073 1.00 84.01 O +ATOM 110 N GLY A 19 5.188 7.434 -11.394 1.00 83.42 N +ATOM 111 CA GLY A 19 6.588 7.749 -11.336 1.00 81.45 C +ATOM 112 C GLY A 19 6.918 8.917 -12.250 1.00 81.84 C +ATOM 113 O GLY A 19 6.070 9.373 -13.025 1.00 81.03 O +ATOM 114 N PRO A 20 8.154 9.398 -12.197 1.00 75.20 N +ATOM 115 CA PRO A 20 8.557 10.518 -13.041 1.00 76.07 C +ATOM 116 C PRO A 20 8.708 10.090 -14.497 1.00 75.71 C +ATOM 117 O PRO A 20 8.862 8.910 -14.793 1.00 74.12 O +ATOM 118 CB PRO A 20 9.892 10.948 -12.432 1.00 73.38 C +ATOM 119 CG PRO A 20 10.434 9.682 -11.872 1.00 72.19 C +ATOM 120 CD PRO A 20 9.229 8.947 -11.321 1.00 71.93 C +HETATM 121 N HYP A 21 8.689 11.021 -15.433 1.00 86.17 N +HETATM 122 CA HYP A 21 8.922 10.775 -16.822 1.00 82.76 C +HETATM 123 C HYP A 21 10.284 10.210 -17.108 1.00 85.75 C +HETATM 124 O HYP A 21 11.250 10.551 -16.406 1.00 85.87 O +HETATM 125 CB HYP A 21 8.826 12.164 -17.461 1.00 84.58 C +HETATM 126 CG HYP A 21 7.940 12.944 -16.531 1.00 82.07 C +HETATM 127 CD HYP A 21 8.308 12.394 -15.195 1.00 84.22 C +HETATM 128 OD1 HYP A 21 6.566 12.683 -16.784 1.00 83.55 O +ATOM 129 N GLY A 22 10.421 9.314 -18.056 1.00 82.31 N +ATOM 130 CA GLY A 22 11.691 8.762 -18.433 1.00 81.29 C +ATOM 131 C GLY A 22 12.556 9.824 -19.096 1.00 81.04 C +ATOM 132 O GLY A 22 12.101 10.946 -19.343 1.00 79.06 O +ATOM 133 N PRO A 23 13.805 9.493 -19.441 1.00 82.63 N +ATOM 134 CA PRO A 23 14.693 10.465 -20.075 1.00 84.95 C +ATOM 135 C PRO A 23 14.234 10.779 -21.485 1.00 83.62 C +ATOM 136 O PRO A 23 13.583 9.961 -22.139 1.00 79.31 O +ATOM 137 CB PRO A 23 16.056 9.781 -20.042 1.00 80.15 C +ATOM 138 CG PRO A 23 15.722 8.331 -20.050 1.00 75.46 C +ATOM 139 CD PRO A 23 14.468 8.209 -19.218 1.00 76.92 C +HETATM 140 N HYP A 24 14.619 11.933 -22.059 1.00 85.26 N +HETATM 141 CA HYP A 24 14.160 12.248 -23.415 1.00 85.04 C +HETATM 142 C HYP A 24 14.981 11.389 -24.418 1.00 81.75 C +HETATM 143 O HYP A 24 14.680 11.402 -25.558 1.00 84.63 O +HETATM 144 CB HYP A 24 14.720 13.721 -23.591 1.00 86.28 C +HETATM 145 CG HYP A 24 14.959 14.261 -22.235 1.00 83.81 C +HETATM 146 CD HYP A 24 15.281 13.023 -21.404 1.00 85.70 C +HETATM 147 OD1 HYP A 24 13.764 14.827 -21.738 1.00 79.78 O +HETATM 148 OXT HYP A 24 15.907 10.724 -23.990 1.00 79.75 O +TER 149 HYP A 24 +END diff --git a/protein_pdb_215.txt b/protein_pdb_215.txt new file mode 100644 index 0000000000000000000000000000000000000000..86ef124a074a33aa9c9251a60e41fcd4252451f8 --- /dev/null +++ b/protein_pdb_215.txt @@ -0,0 +1,151 @@ +ATOM 1 N GLY A 1 -0.114 -14.849 -6.873 1.00 90.71 N +ATOM 2 CA GLY A 1 -0.552 -13.657 -7.521 1.00 90.74 C +ATOM 3 C GLY A 1 0.461 -12.532 -7.467 1.00 91.53 C +ATOM 4 O GLY A 1 1.499 -12.647 -6.814 1.00 89.92 O +ATOM 5 N PRO A 2 0.153 -11.499 -8.114 1.00 90.51 N +ATOM 6 CA PRO A 2 1.043 -10.349 -8.174 1.00 90.85 C +ATOM 7 C PRO A 2 0.997 -9.526 -6.902 1.00 91.04 C +ATOM 8 O PRO A 2 0.126 -9.709 -6.051 1.00 88.95 O +ATOM 9 CB PRO A 2 0.498 -9.568 -9.363 1.00 88.49 C +ATOM 10 CG PRO A 2 -0.955 -9.877 -9.351 1.00 86.20 C +ATOM 11 CD PRO A 2 -1.069 -11.300 -8.888 1.00 87.77 C +HETATM 12 N HYP A 3 1.960 -8.616 -6.810 1.00 89.55 N +HETATM 13 CA HYP A 3 1.942 -7.716 -5.669 1.00 91.16 C +HETATM 14 C HYP A 3 0.655 -6.917 -5.600 1.00 90.59 C +HETATM 15 O HYP A 3 0.051 -6.624 -6.643 1.00 91.23 O +HETATM 16 CB HYP A 3 3.142 -6.791 -5.943 1.00 88.34 C +HETATM 17 CG HYP A 3 4.074 -7.647 -6.756 1.00 85.81 C +HETATM 18 CD HYP A 3 3.121 -8.460 -7.629 1.00 88.59 C +HETATM 19 OD1 HYP A 3 4.766 -8.508 -5.896 1.00 85.43 O +ATOM 20 N GLY A 4 0.259 -6.653 -4.396 1.00 91.61 N +ATOM 21 CA GLY A 4 -0.896 -5.827 -4.183 1.00 91.28 C +ATOM 22 C GLY A 4 -0.641 -4.390 -4.597 1.00 92.23 C +ATOM 23 O GLY A 4 0.478 -4.009 -4.939 1.00 91.54 O +ATOM 24 N PRO A 5 -1.678 -3.585 -4.576 1.00 90.23 N +ATOM 25 CA PRO A 5 -1.547 -2.192 -4.975 1.00 90.08 C +ATOM 26 C PRO A 5 -0.759 -1.387 -3.955 1.00 90.01 C +ATOM 27 O PRO A 5 -0.613 -1.783 -2.804 1.00 88.44 O +ATOM 28 CB PRO A 5 -2.996 -1.712 -5.061 1.00 88.43 C +ATOM 29 CG PRO A 5 -3.721 -2.586 -4.110 1.00 86.88 C +ATOM 30 CD PRO A 5 -3.038 -3.919 -4.162 1.00 88.33 C +HETATM 31 N HYP A 6 -0.215 -0.253 -4.421 1.00 89.08 N +HETATM 32 CA HYP A 6 0.433 0.650 -3.501 1.00 92.38 C +HETATM 33 C HYP A 6 -0.460 1.096 -2.396 1.00 90.55 C +HETATM 34 O HYP A 6 -1.691 1.181 -2.571 1.00 92.36 O +HETATM 35 CB HYP A 6 0.804 1.838 -4.431 1.00 89.32 C +HETATM 36 CG HYP A 6 0.960 1.200 -5.787 1.00 88.83 C +HETATM 37 CD HYP A 6 -0.136 0.181 -5.783 1.00 89.90 C +HETATM 38 OD1 HYP A 6 2.208 0.549 -5.859 1.00 86.69 O +ATOM 39 N GLY A 7 0.108 1.288 -1.251 1.00 92.74 N +ATOM 40 CA GLY A 7 -0.617 1.810 -0.132 1.00 92.67 C +ATOM 41 C GLY A 7 -1.107 3.218 -0.396 1.00 93.32 C +ATOM 42 O GLY A 7 -0.722 3.861 -1.371 1.00 92.99 O +ATOM 43 N PRO A 8 -1.960 3.697 0.458 1.00 93.22 N +ATOM 44 CA PRO A 8 -2.505 5.037 0.278 1.00 93.29 C +ATOM 45 C PRO A 8 -1.457 6.104 0.555 1.00 93.00 C +ATOM 46 O PRO A 8 -0.488 5.879 1.270 1.00 91.26 O +ATOM 47 CB PRO A 8 -3.643 5.098 1.286 1.00 91.68 C +ATOM 48 CG PRO A 8 -3.238 4.144 2.344 1.00 90.25 C +ATOM 49 CD PRO A 8 -2.478 3.044 1.651 1.00 92.59 C +HETATM 50 N HYP A 9 -1.677 7.289 -0.022 1.00 89.85 N +HETATM 51 CA HYP A 9 -0.795 8.365 0.235 1.00 91.25 C +HETATM 52 C HYP A 9 -0.850 8.784 1.678 1.00 90.49 C +HETATM 53 O HYP A 9 -1.896 8.719 2.322 1.00 91.27 O +HETATM 54 CB HYP A 9 -1.393 9.529 -0.592 1.00 87.49 C +HETATM 55 CG HYP A 9 -2.224 8.900 -1.603 1.00 87.31 C +HETATM 56 CD HYP A 9 -2.736 7.667 -0.948 1.00 90.08 C +HETATM 57 OD1 HYP A 9 -1.401 8.516 -2.693 1.00 87.78 O +ATOM 58 N GLY A 10 0.255 9.128 2.233 1.00 91.73 N +ATOM 59 CA GLY A 10 0.258 9.793 3.507 1.00 89.78 C +ATOM 60 C GLY A 10 -0.313 11.193 3.354 1.00 90.21 C +ATOM 61 O GLY A 10 -0.573 11.651 2.244 1.00 88.83 O +ATOM 62 N PRO A 11 -0.498 11.884 4.440 1.00 89.17 N +ATOM 63 CA PRO A 11 -0.963 13.270 4.330 1.00 89.66 C +ATOM 64 C PRO A 11 0.093 14.109 3.627 1.00 89.60 C +ATOM 65 O PRO A 11 1.099 14.481 4.217 1.00 87.03 O +ATOM 66 CB PRO A 11 -1.154 13.699 5.790 1.00 87.58 C +ATOM 67 CG PRO A 11 -1.165 12.442 6.572 1.00 86.33 C +ATOM 68 CD PRO A 11 -0.333 11.456 5.806 1.00 86.16 C +ATOM 69 N GLY A 12 -0.121 14.358 2.351 1.00 90.84 N +ATOM 70 CA GLY A 12 0.871 15.034 1.536 1.00 90.66 C +ATOM 71 C GLY A 12 2.039 14.162 1.128 1.00 91.52 C +ATOM 72 O GLY A 12 3.037 14.671 0.615 1.00 88.74 O +ATOM 73 N GLY A 13 1.930 12.866 1.333 1.00 92.13 N +ATOM 74 CA GLY A 13 3.021 11.953 1.076 1.00 90.91 C +ATOM 75 C GLY A 13 2.761 11.013 -0.077 1.00 92.16 C +ATOM 76 O GLY A 13 1.680 10.995 -0.663 1.00 91.67 O +ATOM 77 N PRO A 14 3.766 10.221 -0.423 1.00 92.62 N +ATOM 78 CA PRO A 14 3.669 9.306 -1.554 1.00 92.27 C +ATOM 79 C PRO A 14 2.865 8.063 -1.210 1.00 92.53 C +ATOM 80 O PRO A 14 2.608 7.767 -0.051 1.00 90.90 O +ATOM 81 CB PRO A 14 5.124 8.947 -1.842 1.00 90.71 C +ATOM 82 CG PRO A 14 5.773 9.017 -0.505 1.00 89.30 C +ATOM 83 CD PRO A 14 5.086 10.150 0.218 1.00 90.36 C +HETATM 84 N HYP A 15 2.492 7.359 -2.271 1.00 91.25 N +HETATM 85 CA HYP A 15 1.872 6.063 -2.061 1.00 92.86 C +HETATM 86 C HYP A 15 2.759 5.134 -1.314 1.00 93.46 C +HETATM 87 O HYP A 15 3.998 5.219 -1.401 1.00 91.85 O +HETATM 88 CB HYP A 15 1.663 5.615 -3.513 1.00 90.06 C +HETATM 89 CG HYP A 15 1.561 6.898 -4.311 1.00 88.05 C +HETATM 90 CD HYP A 15 2.558 7.789 -3.647 1.00 89.95 C +HETATM 91 OD1 HYP A 15 0.276 7.445 -4.170 1.00 87.96 O +ATOM 92 N GLY A 16 2.163 4.271 -0.553 1.00 93.12 N +ATOM 93 CA GLY A 16 2.904 3.236 0.117 1.00 92.56 C +ATOM 94 C GLY A 16 3.439 2.210 -0.860 1.00 93.21 C +ATOM 95 O GLY A 16 3.140 2.245 -2.056 1.00 92.55 O +ATOM 96 N PRO A 17 4.238 1.289 -0.356 1.00 92.11 N +ATOM 97 CA PRO A 17 4.812 0.261 -1.220 1.00 91.68 C +ATOM 98 C PRO A 17 3.761 -0.735 -1.681 1.00 92.00 C +ATOM 99 O PRO A 17 2.683 -0.836 -1.100 1.00 90.27 O +ATOM 100 CB PRO A 17 5.866 -0.400 -0.330 1.00 89.96 C +ATOM 101 CG PRO A 17 5.408 -0.134 1.051 1.00 88.22 C +ATOM 102 CD PRO A 17 4.663 1.159 1.029 1.00 89.56 C +HETATM 103 N HYP A 18 4.090 -1.468 -2.763 1.00 88.85 N +HETATM 104 CA HYP A 18 3.219 -2.518 -3.194 1.00 90.68 C +HETATM 105 C HYP A 18 2.976 -3.533 -2.133 1.00 91.16 C +HETATM 106 O HYP A 18 3.846 -3.802 -1.295 1.00 90.40 O +HETATM 107 CB HYP A 18 4.022 -3.117 -4.368 1.00 88.33 C +HETATM 108 CG HYP A 18 4.818 -1.964 -4.895 1.00 87.98 C +HETATM 109 CD HYP A 18 5.210 -1.254 -3.616 1.00 89.78 C +HETATM 110 OD1 HYP A 18 3.976 -1.118 -5.650 1.00 86.10 O +ATOM 111 N GLY A 19 1.790 -4.053 -2.135 1.00 90.84 N +ATOM 112 CA GLY A 19 1.449 -5.109 -1.228 1.00 91.16 C +ATOM 113 C GLY A 19 2.224 -6.374 -1.526 1.00 91.91 C +ATOM 114 O GLY A 19 2.927 -6.477 -2.528 1.00 91.63 O +ATOM 115 N PRO A 20 2.089 -7.358 -0.662 1.00 89.61 N +ATOM 116 CA PRO A 20 2.793 -8.615 -0.861 1.00 89.48 C +ATOM 117 C PRO A 20 2.196 -9.402 -2.012 1.00 89.41 C +ATOM 118 O PRO A 20 1.072 -9.143 -2.445 1.00 88.10 O +ATOM 119 CB PRO A 20 2.589 -9.335 0.467 1.00 87.40 C +ATOM 120 CG PRO A 20 1.305 -8.790 0.976 1.00 85.43 C +ATOM 121 CD PRO A 20 1.254 -7.359 0.525 1.00 87.22 C +HETATM 122 N HYP A 21 2.975 -10.352 -2.509 1.00 89.65 N +HETATM 123 CA HYP A 21 2.458 -11.236 -3.524 1.00 91.87 C +HETATM 124 C HYP A 21 1.198 -11.938 -3.090 1.00 89.77 C +HETATM 125 O HYP A 21 1.094 -12.317 -1.931 1.00 91.77 O +HETATM 126 CB HYP A 21 3.574 -12.228 -3.784 1.00 88.40 C +HETATM 127 CG HYP A 21 4.813 -11.481 -3.409 1.00 86.06 C +HETATM 128 CD HYP A 21 4.373 -10.646 -2.231 1.00 89.92 C +HETATM 129 OD1 HYP A 21 5.168 -10.606 -4.481 1.00 84.65 O +ATOM 130 N GLY A 22 0.252 -12.017 -3.986 1.00 91.04 N +ATOM 131 CA GLY A 22 -0.955 -12.740 -3.719 1.00 89.69 C +ATOM 132 C GLY A 22 -0.694 -14.230 -3.629 1.00 89.93 C +ATOM 133 O GLY A 22 0.406 -14.702 -3.908 1.00 88.70 O +ATOM 134 N PRO A 23 -1.709 -15.000 -3.263 1.00 90.42 N +ATOM 135 CA PRO A 23 -1.560 -16.452 -3.197 1.00 90.08 C +ATOM 136 C PRO A 23 -1.353 -17.008 -4.598 1.00 89.04 C +ATOM 137 O PRO A 23 -2.261 -16.937 -5.423 1.00 86.19 O +ATOM 138 CB PRO A 23 -2.878 -16.926 -2.600 1.00 87.60 C +ATOM 139 CG PRO A 23 -3.609 -15.702 -2.181 1.00 85.39 C +ATOM 140 CD PRO A 23 -3.032 -14.546 -2.921 1.00 87.01 C +HETATM 141 N HYP A 24 -0.233 -17.348 -4.978 1.00 93.36 N +HETATM 142 CA HYP A 24 0.196 -17.511 -6.373 1.00 89.73 C +HETATM 143 C HYP A 24 0.100 -16.427 -7.258 1.00 92.25 C +HETATM 144 O HYP A 24 -0.717 -16.511 -8.289 1.00 89.31 O +HETATM 145 CB HYP A 24 0.797 -18.769 -6.599 1.00 88.31 C +HETATM 146 CG HYP A 24 0.720 -19.461 -5.225 1.00 86.73 C +HETATM 147 CD HYP A 24 -0.176 -18.575 -4.352 1.00 90.28 C +HETATM 148 OD1 HYP A 24 1.989 -19.513 -4.603 1.00 87.05 O +HETATM 149 OXT HYP A 24 1.265 -15.918 -7.774 1.00 86.11 O +TER 150 HYP A 24 +END diff --git a/protein_pdb_216.txt b/protein_pdb_216.txt new file mode 100644 index 0000000000000000000000000000000000000000..e48a614347f794118348e64e988a6595bcaddfd4 --- /dev/null +++ b/protein_pdb_216.txt @@ -0,0 +1,1749 @@ +ATOM 1 N GLY A 1 34.311-122.450 -48.147 1.00 50.13 N +ATOM 2 CA GLY A 1 34.649-121.221 -47.407 1.00 54.95 C +ATOM 3 C GLY A 1 33.439-120.851 -46.579 1.00 53.05 C +ATOM 4 O GLY A 1 32.334-121.137 -47.026 1.00 51.01 O +ATOM 5 N GLN A 2 33.643-120.388 -45.374 1.00 52.52 N +ATOM 6 CA GLN A 2 32.537-119.856 -44.579 1.00 57.40 C +ATOM 7 C GLN A 2 32.229-118.443 -45.068 1.00 56.30 C +ATOM 8 O GLN A 2 33.146-117.635 -45.202 1.00 53.56 O +ATOM 9 CB GLN A 2 32.907-119.864 -43.083 1.00 56.59 C +ATOM 10 CG GLN A 2 32.946-121.283 -42.491 1.00 51.73 C +ATOM 11 CD GLN A 2 33.374-121.326 -41.021 1.00 47.43 C +ATOM 12 OE1 GLN A 2 33.733-120.346 -40.407 1.00 46.14 O +ATOM 13 NE2 GLN A 2 33.368-122.480 -40.397 1.00 43.19 N +ATOM 14 N ASP A 3 30.963-118.188 -45.377 1.00 54.57 N +ATOM 15 CA ASP A 3 30.501-116.860 -45.777 1.00 58.85 C +ATOM 16 C ASP A 3 30.763-115.850 -44.646 1.00 56.10 C +ATOM 17 O ASP A 3 30.535-116.135 -43.461 1.00 53.21 O +ATOM 18 CB ASP A 3 29.018-116.918 -46.175 1.00 57.54 C +ATOM 19 CG ASP A 3 28.761-117.804 -47.401 1.00 52.47 C +ATOM 20 OD1 ASP A 3 29.624-117.792 -48.317 1.00 50.12 O +ATOM 21 OD2 ASP A 3 27.734-118.508 -47.404 1.00 48.43 O +ATOM 22 N GLY A 4 31.283-114.744 -45.012 1.00 52.68 N +ATOM 23 CA GLY A 4 31.535-113.651 -44.076 1.00 54.25 C +ATOM 24 C GLY A 4 30.231-113.180 -43.426 1.00 54.31 C +ATOM 25 O GLY A 4 29.223-113.004 -44.099 1.00 52.44 O +ATOM 26 N ARG A 5 30.272-113.016 -42.119 1.00 50.87 N +ATOM 27 CA ARG A 5 29.114-112.469 -41.393 1.00 56.31 C +ATOM 28 C ARG A 5 28.868-111.031 -41.851 1.00 54.81 C +ATOM 29 O ARG A 5 29.814-110.250 -41.953 1.00 54.12 O +ATOM 30 CB ARG A 5 29.331-112.528 -39.873 1.00 56.26 C +ATOM 31 CG ARG A 5 29.418-113.970 -39.340 1.00 51.96 C +ATOM 32 CD ARG A 5 29.576-113.953 -37.817 1.00 50.46 C +ATOM 33 NE ARG A 5 29.750-115.320 -37.262 1.00 48.36 N +ATOM 34 CZ ARG A 5 29.921-115.628 -35.985 1.00 43.20 C +ATOM 35 NH1 ARG A 5 29.950-114.709 -35.055 1.00 43.97 N +ATOM 36 NH2 ARG A 5 30.074-116.870 -35.622 1.00 43.15 N +ATOM 37 N ASN A 6 27.628-110.727 -42.136 1.00 55.76 N +ATOM 38 CA ASN A 6 27.232-109.334 -42.378 1.00 59.43 C +ATOM 39 C ASN A 6 27.590-108.474 -41.156 1.00 57.77 C +ATOM 40 O ASN A 6 27.445-108.919 -40.016 1.00 54.91 O +ATOM 41 CB ASN A 6 25.729-109.256 -42.697 1.00 56.72 C +ATOM 42 CG ASN A 6 25.365-109.747 -44.090 1.00 51.80 C +ATOM 43 OD1 ASN A 6 26.199-110.080 -44.907 1.00 49.08 O +ATOM 44 ND2 ASN A 6 24.092-109.809 -44.406 1.00 47.18 N +ATOM 45 N GLY A 7 28.069-107.289 -41.405 1.00 54.88 N +ATOM 46 CA GLY A 7 28.330-106.323 -40.343 1.00 55.92 C +ATOM 47 C GLY A 7 27.047-105.991 -39.573 1.00 56.33 C +ATOM 48 O GLY A 7 25.971-105.915 -40.166 1.00 54.37 O +ATOM 49 N GLU A 8 27.168-105.842 -38.272 1.00 52.34 N +ATOM 50 CA GLU A 8 26.037-105.461 -37.431 1.00 57.82 C +ATOM 51 C GLU A 8 25.532-104.060 -37.810 1.00 56.32 C +ATOM 52 O GLU A 8 26.309-103.165 -38.161 1.00 55.31 O +ATOM 53 CB GLU A 8 26.407-105.545 -35.929 1.00 57.20 C +ATOM 54 CG GLU A 8 26.690-106.999 -35.498 1.00 52.79 C +ATOM 55 CD GLU A 8 27.029-107.166 -34.002 1.00 49.44 C +ATOM 56 OE1 GLU A 8 27.053-108.349 -33.551 1.00 47.64 O +ATOM 57 OE2 GLU A 8 27.300-106.150 -33.333 1.00 46.28 O +ATOM 58 N ARG A 9 24.214-103.879 -37.787 1.00 59.85 N +ATOM 59 CA ARG A 9 23.570-102.580 -38.039 1.00 64.85 C +ATOM 60 C ARG A 9 24.011-101.568 -36.977 1.00 62.35 C +ATOM 61 O ARG A 9 24.011-101.885 -35.795 1.00 58.55 O +ATOM 62 CB ARG A 9 22.048-102.776 -38.063 1.00 62.36 C +ATOM 63 CG ARG A 9 21.275-101.502 -38.438 1.00 56.61 C +ATOM 64 CD ARG A 9 19.766-101.804 -38.476 1.00 55.86 C +ATOM 65 NE ARG A 9 18.946-100.641 -38.849 1.00 53.45 N +ATOM 66 CZ ARG A 9 17.632-100.590 -38.875 1.00 48.09 C +ATOM 67 NH1 ARG A 9 16.891-101.617 -38.543 1.00 48.36 N +ATOM 68 NH2 ARG A 9 17.007 -99.508 -39.236 1.00 47.76 N +ATOM 69 N GLY A 10 24.388-100.422 -37.416 1.00 57.65 N +ATOM 70 CA GLY A 10 24.747 -99.351 -36.483 1.00 58.95 C +ATOM 71 C GLY A 10 23.595 -98.995 -35.539 1.00 59.23 C +ATOM 72 O GLY A 10 22.435 -98.999 -35.947 1.00 56.98 O +ATOM 73 N GLU A 11 23.948 -98.730 -34.282 1.00 56.86 N +ATOM 74 CA GLU A 11 22.960 -98.328 -33.277 1.00 62.75 C +ATOM 75 C GLU A 11 22.304 -96.995 -33.651 1.00 60.40 C +ATOM 76 O GLU A 11 22.934 -96.087 -34.209 1.00 59.18 O +ATOM 77 CB GLU A 11 23.584 -98.245 -31.870 1.00 61.62 C +ATOM 78 CG GLU A 11 24.063 -99.615 -31.351 1.00 56.95 C +ATOM 79 CD GLU A 11 24.556 -99.567 -29.887 1.00 54.65 C +ATOM 80 OE1 GLU A 11 24.655-100.664 -29.283 1.00 52.17 O +ATOM 81 OE2 GLU A 11 24.835 -98.459 -29.377 1.00 50.99 O +ATOM 82 N GLN A 12 21.015 -96.861 -33.349 1.00 61.55 N +ATOM 83 CA GLN A 12 20.276 -95.622 -33.543 1.00 65.47 C +ATOM 84 C GLN A 12 20.843 -94.520 -32.643 1.00 62.86 C +ATOM 85 O GLN A 12 21.073 -94.732 -31.451 1.00 58.71 O +ATOM 86 CB GLN A 12 18.782 -95.895 -33.287 1.00 64.31 C +ATOM 87 CG GLN A 12 17.896 -94.671 -33.594 1.00 60.57 C +ATOM 88 CD GLN A 12 16.399 -94.965 -33.457 1.00 58.06 C +ATOM 89 OE1 GLN A 12 15.953 -96.036 -33.115 1.00 57.73 O +ATOM 90 NE2 GLN A 12 15.555 -93.986 -33.728 1.00 53.31 N +ATOM 91 N GLY A 13 21.075 -93.378 -33.188 1.00 60.86 N +ATOM 92 CA GLY A 13 21.550 -92.229 -32.411 1.00 61.88 C +ATOM 93 C GLY A 13 20.557 -91.847 -31.304 1.00 62.03 C +ATOM 94 O GLY A 13 19.349 -91.999 -31.482 1.00 59.67 O +ATOM 95 N PRO A 14 21.048 -91.326 -30.162 1.00 61.56 N +ATOM 96 CA PRO A 14 20.187 -90.918 -29.066 1.00 64.84 C +ATOM 97 C PRO A 14 19.269 -89.755 -29.480 1.00 62.31 C +ATOM 98 O PRO A 14 19.644 -88.909 -30.303 1.00 60.64 O +ATOM 99 CB PRO A 14 21.123 -90.527 -27.908 1.00 64.08 C +ATOM 100 CG PRO A 14 22.398 -90.102 -28.625 1.00 61.38 C +ATOM 101 CD PRO A 14 22.442 -91.030 -29.847 1.00 62.11 C +ATOM 102 N THR A 15 18.090 -89.704 -28.887 1.00 63.35 N +ATOM 103 CA THR A 15 17.178 -88.567 -29.033 1.00 66.04 C +ATOM 104 C THR A 15 17.860 -87.280 -28.558 1.00 62.59 C +ATOM 105 O THR A 15 18.525 -87.280 -27.523 1.00 59.25 O +ATOM 106 CB THR A 15 15.879 -88.806 -28.249 1.00 65.26 C +ATOM 107 OG1 THR A 15 15.326 -90.055 -28.592 1.00 61.32 O +ATOM 108 CG2 THR A 15 14.794 -87.757 -28.517 1.00 60.62 C +ATOM 109 N GLY A 16 17.726 -86.200 -29.302 1.00 63.38 N +ATOM 110 CA GLY A 16 18.277 -84.902 -28.921 1.00 64.10 C +ATOM 111 C GLY A 16 17.695 -84.396 -27.591 1.00 64.60 C +ATOM 112 O GLY A 16 16.545 -84.687 -27.279 1.00 62.62 O +ATOM 113 N PRO A 17 18.476 -83.651 -26.805 1.00 60.09 N +ATOM 114 CA PRO A 17 17.992 -83.083 -25.551 1.00 63.14 C +ATOM 115 C PRO A 17 16.859 -82.081 -25.798 1.00 60.10 C +ATOM 116 O PRO A 17 16.833 -81.390 -26.826 1.00 58.53 O +ATOM 117 CB PRO A 17 19.210 -82.424 -24.885 1.00 62.98 C +ATOM 118 CG PRO A 17 20.099 -82.052 -26.072 1.00 61.09 C +ATOM 119 CD PRO A 17 19.842 -83.182 -27.072 1.00 61.88 C +ATOM 120 N THR A 18 15.945 -81.996 -24.848 1.00 61.46 N +ATOM 121 CA THR A 18 14.904 -80.958 -24.844 1.00 63.91 C +ATOM 122 C THR A 18 15.547 -79.565 -24.844 1.00 60.15 C +ATOM 123 O THR A 18 16.521 -79.332 -24.131 1.00 57.37 O +ATOM 124 CB THR A 18 13.987 -81.105 -23.617 1.00 63.58 C +ATOM 125 OG1 THR A 18 13.503 -82.427 -23.525 1.00 60.47 O +ATOM 126 CG2 THR A 18 12.764 -80.185 -23.647 1.00 59.69 C +ATOM 127 N GLY A 19 15.033 -78.643 -25.639 1.00 60.75 N +ATOM 128 CA GLY A 19 15.521 -77.267 -25.690 1.00 62.04 C +ATOM 129 C GLY A 19 15.430 -76.562 -24.326 1.00 62.72 C +ATOM 130 O GLY A 19 14.526 -76.848 -23.543 1.00 61.09 O +ATOM 131 N PRO A 20 16.358 -75.645 -24.016 1.00 59.88 N +ATOM 132 CA PRO A 20 16.310 -74.888 -22.772 1.00 63.34 C +ATOM 133 C PRO A 20 15.041 -74.029 -22.701 1.00 60.45 C +ATOM 134 O PRO A 20 14.526 -73.561 -23.723 1.00 59.06 O +ATOM 135 CB PRO A 20 17.586 -74.044 -22.741 1.00 63.40 C +ATOM 136 CG PRO A 20 17.926 -73.855 -24.221 1.00 61.32 C +ATOM 137 CD PRO A 20 17.462 -75.167 -24.851 1.00 62.04 C +ATOM 138 N ALA A 21 14.559 -73.790 -21.478 1.00 63.56 N +ATOM 139 CA ALA A 21 13.455 -72.857 -21.261 1.00 67.14 C +ATOM 140 C ALA A 21 13.819 -71.444 -21.743 1.00 65.08 C +ATOM 141 O ALA A 21 14.960 -71.002 -21.588 1.00 62.00 O +ATOM 142 CB ALA A 21 13.068 -72.866 -19.773 1.00 65.82 C +ATOM 143 N GLY A 22 12.864 -70.737 -22.307 1.00 60.08 N +ATOM 144 CA GLY A 22 13.062 -69.361 -22.748 1.00 62.16 C +ATOM 145 C GLY A 22 13.475 -68.434 -21.586 1.00 63.32 C +ATOM 146 O GLY A 22 13.092 -68.674 -20.438 1.00 61.64 O +ATOM 147 N PRO A 23 14.247 -67.383 -21.856 1.00 59.36 N +ATOM 148 CA PRO A 23 14.659 -66.439 -20.823 1.00 62.88 C +ATOM 149 C PRO A 23 13.444 -65.748 -20.188 1.00 60.78 C +ATOM 150 O PRO A 23 12.428 -65.487 -20.844 1.00 59.07 O +ATOM 151 CB PRO A 23 15.601 -65.439 -21.509 1.00 62.05 C +ATOM 152 CG PRO A 23 15.142 -65.471 -22.964 1.00 59.40 C +ATOM 153 CD PRO A 23 14.709 -66.929 -23.167 1.00 60.20 C +ATOM 154 N ARG A 24 13.554 -65.420 -18.881 1.00 57.67 N +ATOM 155 CA ARG A 24 12.535 -64.632 -18.171 1.00 62.75 C +ATOM 156 C ARG A 24 12.389 -63.256 -18.821 1.00 59.68 C +ATOM 157 O ARG A 24 13.393 -62.633 -19.175 1.00 57.11 O +ATOM 158 CB ARG A 24 12.916 -64.526 -16.683 1.00 62.38 C +ATOM 159 CG ARG A 24 11.851 -63.796 -15.829 1.00 59.70 C +ATOM 160 CD ARG A 24 12.272 -63.765 -14.368 1.00 60.33 C +ATOM 161 NE ARG A 24 11.283 -63.060 -13.509 1.00 57.95 N +ATOM 162 CZ ARG A 24 11.415 -62.781 -12.226 1.00 51.69 C +ATOM 163 NH1 ARG A 24 12.481 -63.116 -11.560 1.00 52.41 N +ATOM 164 NH2 ARG A 24 10.477 -62.158 -11.587 1.00 50.64 N +ATOM 165 N GLY A 25 11.167 -62.785 -18.974 1.00 59.39 N +ATOM 166 CA GLY A 25 10.905 -61.432 -19.470 1.00 60.96 C +ATOM 167 C GLY A 25 11.587 -60.364 -18.613 1.00 61.92 C +ATOM 168 O GLY A 25 11.704 -60.518 -17.398 1.00 59.54 O +ATOM 169 N LEU A 26 12.070 -59.302 -19.249 1.00 57.31 N +ATOM 170 CA LEU A 26 12.674 -58.182 -18.532 1.00 61.59 C +ATOM 171 C LEU A 26 11.623 -57.477 -17.667 1.00 60.04 C +ATOM 172 O LEU A 26 10.471 -57.331 -18.064 1.00 58.29 O +ATOM 173 CB LEU A 26 13.332 -57.190 -19.518 1.00 60.42 C +ATOM 174 CG LEU A 26 14.520 -57.765 -20.316 1.00 56.50 C +ATOM 175 CD1 LEU A 26 15.022 -56.724 -21.324 1.00 54.57 C +ATOM 176 CD2 LEU A 26 15.694 -58.141 -19.407 1.00 53.23 C +ATOM 177 N GLN A 27 12.052 -57.019 -16.475 1.00 58.00 N +ATOM 178 CA GLN A 27 11.216 -56.191 -15.606 1.00 61.24 C +ATOM 179 C GLN A 27 10.856 -54.889 -16.327 1.00 58.56 C +ATOM 180 O GLN A 27 11.704 -54.281 -16.973 1.00 56.11 O +ATOM 181 CB GLN A 27 11.963 -55.942 -14.284 1.00 60.65 C +ATOM 182 CG GLN A 27 11.117 -55.163 -13.252 1.00 58.14 C +ATOM 183 CD GLN A 27 11.840 -54.974 -11.910 1.00 55.91 C +ATOM 184 OE1 GLN A 27 12.949 -55.424 -11.704 1.00 55.50 O +ATOM 185 NE2 GLN A 27 11.239 -54.293 -10.957 1.00 51.20 N +ATOM 186 N GLY A 28 9.607 -54.464 -16.221 1.00 56.71 N +ATOM 187 CA GLY A 28 9.164 -53.178 -16.761 1.00 58.22 C +ATOM 188 C GLY A 28 9.961 -52.017 -16.166 1.00 58.43 C +ATOM 189 O GLY A 28 10.315 -52.028 -14.987 1.00 56.32 O +ATOM 190 N LEU A 29 10.272 -51.016 -16.985 1.00 55.83 N +ATOM 191 CA LEU A 29 10.965 -49.816 -16.512 1.00 59.88 C +ATOM 192 C LEU A 29 10.055 -49.031 -15.561 1.00 59.54 C +ATOM 193 O LEU A 29 8.855 -48.909 -15.796 1.00 58.02 O +ATOM 194 CB LEU A 29 11.415 -48.942 -17.696 1.00 58.22 C +ATOM 195 CG LEU A 29 12.479 -49.591 -18.613 1.00 54.26 C +ATOM 196 CD1 LEU A 29 12.769 -48.669 -19.799 1.00 52.45 C +ATOM 197 CD2 LEU A 29 13.795 -49.841 -17.883 1.00 50.68 C +ATOM 198 N GLN A 30 10.656 -48.478 -14.496 1.00 55.90 N +ATOM 199 CA GLN A 30 9.944 -47.570 -13.600 1.00 59.60 C +ATOM 200 C GLN A 30 9.484 -46.332 -14.375 1.00 57.56 C +ATOM 201 O GLN A 30 10.255 -45.752 -15.145 1.00 55.26 O +ATOM 202 CB GLN A 30 10.863 -47.206 -12.419 1.00 58.76 C +ATOM 203 CG GLN A 30 10.129 -46.359 -11.359 1.00 55.73 C +ATOM 204 CD GLN A 30 10.992 -46.018 -10.144 1.00 53.56 C +ATOM 205 OE1 GLN A 30 12.125 -46.439 -9.997 1.00 53.22 O +ATOM 206 NE2 GLN A 30 10.476 -45.221 -9.223 1.00 49.08 N +ATOM 207 N GLY A 31 8.249 -45.922 -14.192 1.00 54.40 N +ATOM 208 CA GLY A 31 7.718 -44.704 -14.803 1.00 55.84 C +ATOM 209 C GLY A 31 8.459 -43.452 -14.318 1.00 57.03 C +ATOM 210 O GLY A 31 8.969 -43.402 -13.200 1.00 55.20 O +ATOM 211 N LEU A 32 8.536 -42.444 -15.165 1.00 55.54 N +ATOM 212 CA LEU A 32 9.175 -41.181 -14.800 1.00 59.56 C +ATOM 213 C LEU A 32 8.300 -40.390 -13.821 1.00 59.11 C +ATOM 214 O LEU A 32 7.076 -40.405 -13.904 1.00 57.84 O +ATOM 215 CB LEU A 32 9.509 -40.368 -16.063 1.00 58.32 C +ATOM 216 CG LEU A 32 10.542 -41.041 -16.997 1.00 54.45 C +ATOM 217 CD1 LEU A 32 10.711 -40.227 -18.262 1.00 52.28 C +ATOM 218 CD2 LEU A 32 11.908 -41.175 -16.337 1.00 51.16 C +ATOM 219 N GLN A 33 8.949 -39.682 -12.890 1.00 58.11 N +ATOM 220 CA GLN A 33 8.252 -38.824 -11.931 1.00 62.20 C +ATOM 221 C GLN A 33 7.478 -37.722 -12.667 1.00 60.79 C +ATOM 222 O GLN A 33 8.021 -37.058 -13.548 1.00 58.35 O +ATOM 223 CB GLN A 33 9.273 -38.247 -10.941 1.00 60.47 C +ATOM 224 CG GLN A 33 8.594 -37.446 -9.818 1.00 56.07 C +ATOM 225 CD GLN A 33 9.568 -36.901 -8.782 1.00 53.71 C +ATOM 226 OE1 GLN A 33 10.766 -37.095 -8.803 1.00 53.32 O +ATOM 227 NE2 GLN A 33 9.070 -36.167 -7.808 1.00 49.21 N +ATOM 228 N GLY A 34 6.236 -37.485 -12.271 1.00 54.40 N +ATOM 229 CA GLY A 34 5.415 -36.421 -12.836 1.00 56.20 C +ATOM 230 C GLY A 34 6.013 -35.029 -12.646 1.00 57.61 C +ATOM 231 O GLY A 34 6.715 -34.752 -11.664 1.00 55.78 O +ATOM 232 N GLU A 35 5.738 -34.130 -13.593 1.00 53.22 N +ATOM 233 CA GLU A 35 6.192 -32.743 -13.496 1.00 58.84 C +ATOM 234 C GLU A 35 5.624 -32.062 -12.249 1.00 58.32 C +ATOM 235 O GLU A 35 4.499 -32.311 -11.801 1.00 57.54 O +ATOM 236 CB GLU A 35 5.826 -31.941 -14.753 1.00 57.38 C +ATOM 237 CG GLU A 35 6.570 -32.428 -16.013 1.00 52.73 C +ATOM 238 CD GLU A 35 6.362 -31.491 -17.217 1.00 49.56 C +ATOM 239 OE1 GLU A 35 7.233 -31.497 -18.114 1.00 47.68 O +ATOM 240 OE2 GLU A 35 5.349 -30.744 -17.228 1.00 46.29 O +ATOM 241 N ARG A 36 6.430 -31.161 -11.662 1.00 58.26 N +ATOM 242 CA ARG A 36 5.981 -30.362 -10.520 1.00 62.85 C +ATOM 243 C ARG A 36 4.817 -29.476 -10.947 1.00 60.88 C +ATOM 244 O ARG A 36 4.914 -28.766 -11.942 1.00 58.32 O +ATOM 245 CB ARG A 36 7.162 -29.544 -9.974 1.00 61.40 C +ATOM 246 CG ARG A 36 6.772 -28.743 -8.720 1.00 56.80 C +ATOM 247 CD ARG A 36 7.981 -27.980 -8.198 1.00 56.72 C +ATOM 248 NE ARG A 36 7.644 -27.198 -6.994 1.00 55.52 N +ATOM 249 CZ ARG A 36 8.478 -26.475 -6.273 1.00 50.10 C +ATOM 250 NH1 ARG A 36 9.733 -26.366 -6.597 1.00 50.85 N +ATOM 251 NH2 ARG A 36 8.052 -25.842 -5.213 1.00 49.63 N +ATOM 252 N GLY A 37 3.760 -29.450 -10.143 1.00 53.55 N +ATOM 253 CA GLY A 37 2.606 -28.591 -10.402 1.00 55.18 C +ATOM 254 C GLY A 37 2.973 -27.112 -10.484 1.00 56.21 C +ATOM 255 O GLY A 37 3.901 -26.643 -9.810 1.00 54.15 O +ATOM 256 N GLU A 38 2.230 -26.389 -11.309 1.00 50.69 N +ATOM 257 CA GLU A 38 2.401 -24.947 -11.450 1.00 55.17 C +ATOM 258 C GLU A 38 2.220 -24.246 -10.105 1.00 53.84 C +ATOM 259 O GLU A 38 1.442 -24.640 -9.234 1.00 53.23 O +ATOM 260 CB GLU A 38 1.439 -24.373 -12.491 1.00 54.79 C +ATOM 261 CG GLU A 38 1.728 -24.883 -13.925 1.00 50.43 C +ATOM 262 CD GLU A 38 0.850 -24.196 -14.984 1.00 47.82 C +ATOM 263 OE1 GLU A 38 1.207 -24.314 -16.177 1.00 46.25 O +ATOM 264 OE2 GLU A 38 -0.164 -23.554 -14.604 1.00 45.62 O +ATOM 265 N GLN A 39 2.969 -23.156 -9.931 1.00 56.77 N +ATOM 266 CA GLN A 39 2.819 -22.330 -8.743 1.00 59.67 C +ATOM 267 C GLN A 39 1.416 -21.722 -8.710 1.00 57.65 C +ATOM 268 O GLN A 39 0.958 -21.155 -9.698 1.00 55.43 O +ATOM 269 CB GLN A 39 3.927 -21.260 -8.733 1.00 59.19 C +ATOM 270 CG GLN A 39 3.894 -20.423 -7.454 1.00 56.44 C +ATOM 271 CD GLN A 39 4.936 -19.320 -7.432 1.00 54.33 C +ATOM 272 OE1 GLN A 39 6.032 -19.406 -7.949 1.00 55.13 O +ATOM 273 NE2 GLN A 39 4.635 -18.217 -6.773 1.00 51.29 N +ATOM 274 N GLY A 40 0.750 -21.791 -7.554 1.00 52.86 N +ATOM 275 CA GLY A 40 -0.559 -21.176 -7.381 1.00 54.27 C +ATOM 276 C GLY A 40 -0.530 -19.664 -7.620 1.00 53.91 C +ATOM 277 O GLY A 40 0.516 -19.027 -7.446 1.00 52.14 O +ATOM 278 N PRO A 41 -1.668 -19.081 -8.009 1.00 53.88 N +ATOM 279 CA PRO A 41 -1.755 -17.650 -8.258 1.00 57.11 C +ATOM 280 C PRO A 41 -1.365 -16.864 -6.999 1.00 54.92 C +ATOM 281 O PRO A 41 -1.608 -17.287 -5.868 1.00 54.30 O +ATOM 282 CB PRO A 41 -3.195 -17.381 -8.685 1.00 57.38 C +ATOM 283 CG PRO A 41 -3.977 -18.533 -8.050 1.00 55.89 C +ATOM 284 CD PRO A 41 -2.979 -19.694 -8.109 1.00 57.37 C +ATOM 285 N THR A 42 -0.758 -15.684 -7.208 1.00 56.75 N +ATOM 286 CA THR A 42 -0.466 -14.753 -6.121 1.00 58.83 C +ATOM 287 C THR A 42 -1.762 -14.389 -5.399 1.00 56.29 C +ATOM 288 O THR A 42 -2.775 -14.127 -6.045 1.00 54.88 O +ATOM 289 CB THR A 42 0.223 -13.491 -6.658 1.00 58.96 C +ATOM 290 OG1 THR A 42 1.368 -13.857 -7.400 1.00 55.09 O +ATOM 291 CG2 THR A 42 0.706 -12.547 -5.558 1.00 55.28 C +ATOM 292 N GLY A 43 -1.731 -14.378 -4.065 1.00 51.57 N +ATOM 293 CA GLY A 43 -2.876 -13.970 -3.258 1.00 53.62 C +ATOM 294 C GLY A 43 -3.346 -12.550 -3.601 1.00 53.53 C +ATOM 295 O GLY A 43 -2.558 -11.736 -4.089 1.00 52.24 O +ATOM 296 N PRO A 44 -4.617 -12.240 -3.352 1.00 52.85 N +ATOM 297 CA PRO A 44 -5.139 -10.905 -3.602 1.00 55.92 C +ATOM 298 C PRO A 44 -4.354 -9.855 -2.806 1.00 53.88 C +ATOM 299 O PRO A 44 -3.893 -10.126 -1.696 1.00 53.65 O +ATOM 300 CB PRO A 44 -6.614 -10.949 -3.198 1.00 56.38 C +ATOM 301 CG PRO A 44 -6.669 -12.069 -2.159 1.00 55.26 C +ATOM 302 CD PRO A 44 -5.608 -13.052 -2.667 1.00 56.30 C +ATOM 303 N ALA A 45 -4.226 -8.656 -3.374 1.00 55.78 N +ATOM 304 CA ALA A 45 -3.600 -7.542 -2.668 1.00 58.20 C +ATOM 305 C ALA A 45 -4.328 -7.277 -1.341 1.00 57.17 C +ATOM 306 O ALA A 45 -5.563 -7.328 -1.281 1.00 55.46 O +ATOM 307 CB ALA A 45 -3.591 -6.301 -3.570 1.00 57.21 C +ATOM 308 N GLY A 46 -3.558 -6.973 -0.295 1.00 51.29 N +ATOM 309 CA GLY A 46 -4.113 -6.607 0.995 1.00 53.58 C +ATOM 310 C GLY A 46 -5.048 -5.393 0.900 1.00 54.02 C +ATOM 311 O GLY A 46 -4.892 -4.556 0.004 1.00 52.55 O +ATOM 312 N PRO A 47 -6.012 -5.272 1.820 1.00 54.16 N +ATOM 313 CA PRO A 47 -6.919 -4.129 1.832 1.00 57.36 C +ATOM 314 C PRO A 47 -6.127 -2.820 1.947 1.00 55.75 C +ATOM 315 O PRO A 47 -5.112 -2.739 2.636 1.00 55.10 O +ATOM 316 CB PRO A 47 -7.865 -4.359 3.011 1.00 57.56 C +ATOM 317 CG PRO A 47 -7.061 -5.247 3.957 1.00 56.25 C +ATOM 318 CD PRO A 47 -6.231 -6.106 2.998 1.00 57.94 C +ATOM 319 N ARG A 48 -6.620 -1.787 1.265 1.00 56.95 N +ATOM 320 CA ARG A 48 -6.031 -0.451 1.366 1.00 60.27 C +ATOM 321 C ARG A 48 -6.056 0.013 2.826 1.00 58.45 C +ATOM 322 O ARG A 48 -7.089 -0.103 3.476 1.00 56.53 O +ATOM 323 CB ARG A 48 -6.790 0.508 0.446 1.00 59.22 C +ATOM 324 CG ARG A 48 -6.154 1.901 0.403 1.00 54.20 C +ATOM 325 CD ARG A 48 -6.915 2.794 -0.567 1.00 54.15 C +ATOM 326 NE ARG A 48 -6.345 4.148 -0.606 1.00 52.28 N +ATOM 327 CZ ARG A 48 -6.764 5.160 -1.354 1.00 46.88 C +ATOM 328 NH1 ARG A 48 -7.782 5.031 -2.167 1.00 47.43 N +ATOM 329 NH2 ARG A 48 -6.174 6.308 -1.290 1.00 46.58 N +ATOM 330 N GLY A 49 -4.941 0.574 3.298 1.00 52.88 N +ATOM 331 CA GLY A 49 -4.857 1.161 4.628 1.00 54.88 C +ATOM 332 C GLY A 49 -5.957 2.204 4.857 1.00 55.10 C +ATOM 333 O GLY A 49 -6.370 2.903 3.928 1.00 53.52 O +ATOM 334 N LEU A 50 -6.443 2.282 6.093 1.00 54.81 N +ATOM 335 CA LEU A 50 -7.450 3.267 6.471 1.00 58.29 C +ATOM 336 C LEU A 50 -6.918 4.680 6.202 1.00 57.20 C +ATOM 337 O LEU A 50 -5.733 4.962 6.384 1.00 55.91 O +ATOM 338 CB LEU A 50 -7.861 3.089 7.943 1.00 57.54 C +ATOM 339 CG LEU A 50 -8.578 1.759 8.255 1.00 54.60 C +ATOM 340 CD1 LEU A 50 -8.856 1.655 9.751 1.00 53.41 C +ATOM 341 CD2 LEU A 50 -9.905 1.622 7.515 1.00 52.24 C +ATOM 342 N GLN A 51 -7.798 5.549 5.734 1.00 60.14 N +ATOM 343 CA GLN A 51 -7.446 6.954 5.561 1.00 63.02 C +ATOM 344 C GLN A 51 -7.086 7.546 6.923 1.00 61.96 C +ATOM 345 O GLN A 51 -7.839 7.375 7.873 1.00 59.08 O +ATOM 346 CB GLN A 51 -8.613 7.689 4.887 1.00 60.99 C +ATOM 347 CG GLN A 51 -8.298 9.162 4.628 1.00 56.33 C +ATOM 348 CD GLN A 51 -9.403 9.907 3.880 1.00 54.57 C +ATOM 349 OE1 GLN A 51 -10.357 9.368 3.358 1.00 53.65 O +ATOM 350 NE2 GLN A 51 -9.296 11.210 3.776 1.00 50.18 N +ATOM 351 N GLY A 52 -5.960 8.254 6.997 1.00 56.14 N +ATOM 352 CA GLY A 52 -5.565 8.962 8.210 1.00 58.22 C +ATOM 353 C GLY A 52 -6.668 9.903 8.698 1.00 59.42 C +ATOM 354 O GLY A 52 -7.396 10.491 7.892 1.00 57.55 O +ATOM 355 N GLU A 53 -6.804 10.014 10.022 1.00 53.02 N +ATOM 356 CA GLU A 53 -7.788 10.907 10.628 1.00 57.24 C +ATOM 357 C GLU A 53 -7.551 12.348 10.165 1.00 56.63 C +ATOM 358 O GLU A 53 -6.431 12.784 9.883 1.00 55.81 O +ATOM 359 CB GLU A 53 -7.773 10.793 12.158 1.00 56.30 C +ATOM 360 CG GLU A 53 -8.237 9.400 12.625 1.00 51.97 C +ATOM 361 CD GLU A 53 -8.414 9.298 14.145 1.00 49.30 C +ATOM 362 OE1 GLU A 53 -9.065 8.312 14.564 1.00 47.84 O +ATOM 363 OE2 GLU A 53 -7.916 10.193 14.866 1.00 46.48 O +ATOM 364 N ARG A 54 -8.652 13.074 10.021 1.00 62.36 N +ATOM 365 CA ARG A 54 -8.558 14.491 9.658 1.00 65.59 C +ATOM 366 C ARG A 54 -7.865 15.233 10.793 1.00 63.99 C +ATOM 367 O ARG A 54 -8.313 15.136 11.921 1.00 60.72 O +ATOM 368 CB ARG A 54 -9.964 15.032 9.376 1.00 63.16 C +ATOM 369 CG ARG A 54 -9.956 16.528 9.024 1.00 57.58 C +ATOM 370 CD ARG A 54 -11.384 16.989 8.730 1.00 58.66 C +ATOM 371 NE ARG A 54 -11.457 18.438 8.538 1.00 56.58 N +ATOM 372 CZ ARG A 54 -12.560 19.137 8.345 1.00 51.64 C +ATOM 373 NH1 ARG A 54 -13.726 18.562 8.209 1.00 51.87 N +ATOM 374 NH2 ARG A 54 -12.519 20.434 8.309 1.00 50.57 N +ATOM 375 N GLY A 55 -6.836 16.014 10.467 1.00 57.57 N +ATOM 376 CA GLY A 55 -6.173 16.860 11.451 1.00 58.88 C +ATOM 377 C GLY A 55 -7.173 17.747 12.200 1.00 59.81 C +ATOM 378 O GLY A 55 -8.145 18.236 11.609 1.00 57.83 O +ATOM 379 N GLU A 56 -6.933 17.941 13.498 1.00 54.76 N +ATOM 380 CA GLU A 56 -7.770 18.791 14.339 1.00 58.59 C +ATOM 381 C GLU A 56 -7.839 20.214 13.770 1.00 57.32 C +ATOM 382 O GLU A 56 -6.902 20.733 13.155 1.00 56.39 O +ATOM 383 CB GLU A 56 -7.280 18.808 15.795 1.00 57.71 C +ATOM 384 CG GLU A 56 -7.417 17.435 16.478 1.00 53.72 C +ATOM 385 CD GLU A 56 -7.102 17.485 17.992 1.00 51.70 C +ATOM 386 OE1 GLU A 56 -7.485 16.519 18.676 1.00 50.12 O +ATOM 387 OE2 GLU A 56 -6.509 18.495 18.441 1.00 48.69 O +ATOM 388 N GLN A 57 -9.005 20.847 13.947 1.00 63.35 N +ATOM 389 CA GLN A 57 -9.157 22.231 13.535 1.00 65.98 C +ATOM 390 C GLN A 57 -8.218 23.105 14.366 1.00 64.67 C +ATOM 391 O GLN A 57 -8.220 23.027 15.586 1.00 61.48 O +ATOM 392 CB GLN A 57 -10.630 22.645 13.669 1.00 64.04 C +ATOM 393 CG GLN A 57 -10.880 24.078 13.201 1.00 60.08 C +ATOM 394 CD GLN A 57 -12.357 24.481 13.215 1.00 58.81 C +ATOM 395 OE1 GLN A 57 -13.268 23.689 13.380 1.00 57.81 O +ATOM 396 NE2 GLN A 57 -12.653 25.733 13.009 1.00 54.08 N +ATOM 397 N GLY A 58 -7.447 23.956 13.705 1.00 57.68 N +ATOM 398 CA GLY A 58 -6.583 24.898 14.402 1.00 58.59 C +ATOM 399 C GLY A 58 -7.371 25.761 15.398 1.00 58.64 C +ATOM 400 O GLY A 58 -8.542 26.065 15.151 1.00 56.77 O +ATOM 401 N PRO A 59 -6.755 26.175 16.523 1.00 55.46 N +ATOM 402 CA PRO A 59 -7.431 26.985 17.531 1.00 59.14 C +ATOM 403 C PRO A 59 -7.947 28.285 16.906 1.00 57.11 C +ATOM 404 O PRO A 59 -7.301 28.893 16.052 1.00 56.35 O +ATOM 405 CB PRO A 59 -6.396 27.230 18.641 1.00 59.52 C +ATOM 406 CG PRO A 59 -5.060 27.079 17.923 1.00 58.40 C +ATOM 407 CD PRO A 59 -5.348 26.003 16.862 1.00 60.71 C +ATOM 408 N THR A 60 -9.135 28.716 17.355 1.00 63.28 N +ATOM 409 CA THR A 60 -9.692 30.014 16.951 1.00 64.51 C +ATOM 410 C THR A 60 -8.734 31.118 17.386 1.00 61.95 C +ATOM 411 O THR A 60 -8.266 31.122 18.519 1.00 58.63 O +ATOM 412 CB THR A 60 -11.078 30.235 17.562 1.00 63.43 C +ATOM 413 OG1 THR A 60 -11.919 29.151 17.254 1.00 59.62 O +ATOM 414 CG2 THR A 60 -11.766 31.490 17.045 1.00 59.84 C +ATOM 415 N GLY A 61 -8.454 32.059 16.490 1.00 56.69 N +ATOM 416 CA GLY A 61 -7.632 33.218 16.815 1.00 57.86 C +ATOM 417 C GLY A 61 -8.182 33.971 18.032 1.00 58.06 C +ATOM 418 O GLY A 61 -9.394 34.092 18.213 1.00 56.32 O +ATOM 419 N LEU A 62 -7.281 34.457 18.873 1.00 53.89 N +ATOM 420 CA LEU A 62 -7.664 35.235 20.046 1.00 58.26 C +ATOM 421 C LEU A 62 -8.458 36.478 19.607 1.00 56.13 C +ATOM 422 O LEU A 62 -8.131 37.122 18.610 1.00 55.24 O +ATOM 423 CB LEU A 62 -6.423 35.625 20.875 1.00 57.95 C +ATOM 424 CG LEU A 62 -5.681 34.441 21.518 1.00 55.89 C +ATOM 425 CD1 LEU A 62 -4.408 34.941 22.209 1.00 54.84 C +ATOM 426 CD2 LEU A 62 -6.538 33.721 22.567 1.00 53.82 C +ATOM 427 N ALA A 63 -9.491 36.821 20.379 1.00 63.23 N +ATOM 428 CA ALA A 63 -10.237 38.050 20.134 1.00 65.37 C +ATOM 429 C ALA A 63 -9.296 39.261 20.216 1.00 64.09 C +ATOM 430 O ALA A 63 -8.456 39.344 21.115 1.00 60.72 O +ATOM 431 CB ALA A 63 -11.390 38.151 21.139 1.00 62.92 C +ATOM 432 N GLY A 64 -9.459 40.200 19.296 1.00 58.06 N +ATOM 433 CA GLY A 64 -8.730 41.463 19.333 1.00 59.76 C +ATOM 434 C GLY A 64 -8.958 42.187 20.659 1.00 60.40 C +ATOM 435 O GLY A 64 -10.042 42.131 21.237 1.00 58.53 O +ATOM 436 N LYS A 65 -7.916 42.854 21.149 1.00 54.74 N +ATOM 437 CA LYS A 65 -8.037 43.667 22.366 1.00 60.37 C +ATOM 438 C LYS A 65 -9.114 44.730 22.150 1.00 57.00 C +ATOM 439 O LYS A 65 -9.226 45.293 21.063 1.00 57.30 O +ATOM 440 CB LYS A 65 -6.691 44.307 22.739 1.00 60.14 C +ATOM 441 CG LYS A 65 -5.644 43.273 23.173 1.00 57.28 C +ATOM 442 CD LYS A 65 -4.348 43.974 23.584 1.00 56.65 C +ATOM 443 CE LYS A 65 -3.279 42.972 24.002 1.00 53.73 C +ATOM 444 NZ LYS A 65 -2.003 43.639 24.379 1.00 47.70 N +ATOM 445 N ALA A 66 -9.907 45.010 23.197 1.00 65.64 N +ATOM 446 CA ALA A 66 -10.846 46.118 23.145 1.00 67.93 C +ATOM 447 C ALA A 66 -10.085 47.426 22.900 1.00 66.80 C +ATOM 448 O ALA A 66 -9.023 47.632 23.483 1.00 63.12 O +ATOM 449 CB ALA A 66 -11.664 46.162 24.446 1.00 65.40 C +ATOM 450 N GLY A 67 -10.646 48.289 22.055 1.00 60.89 N +ATOM 451 CA GLY A 67 -10.089 49.616 21.827 1.00 62.84 C +ATOM 452 C GLY A 67 -9.978 50.399 23.140 1.00 64.38 C +ATOM 453 O GLY A 67 -10.814 50.267 24.034 1.00 62.52 O +ATOM 454 N GLU A 68 -8.932 51.202 23.247 1.00 52.27 N +ATOM 455 CA GLU A 68 -8.746 52.073 24.410 1.00 57.74 C +ATOM 456 C GLU A 68 -9.915 53.062 24.517 1.00 55.13 C +ATOM 457 O GLU A 68 -10.511 53.484 23.526 1.00 54.81 O +ATOM 458 CB GLU A 68 -7.394 52.794 24.352 1.00 57.83 C +ATOM 459 CG GLU A 68 -6.221 51.794 24.489 1.00 54.14 C +ATOM 460 CD GLU A 68 -4.842 52.463 24.590 1.00 51.75 C +ATOM 461 OE1 GLU A 68 -3.899 51.733 24.976 1.00 50.46 O +ATOM 462 OE2 GLU A 68 -4.732 53.669 24.291 1.00 49.88 O +ATOM 463 N ALA A 69 -10.290 53.405 25.761 1.00 65.05 N +ATOM 464 CA ALA A 69 -11.319 54.414 25.983 1.00 67.10 C +ATOM 465 C ALA A 69 -10.858 55.760 25.402 1.00 65.87 C +ATOM 466 O ALA A 69 -9.714 56.150 25.603 1.00 62.61 O +ATOM 467 CB ALA A 69 -11.637 54.504 27.477 1.00 65.10 C +ATOM 468 N GLY A 70 -11.769 56.471 24.735 1.00 61.28 N +ATOM 469 CA GLY A 70 -11.484 57.800 24.227 1.00 62.74 C +ATOM 470 C GLY A 70 -11.022 58.752 25.340 1.00 63.45 C +ATOM 471 O GLY A 70 -11.497 58.672 26.477 1.00 61.55 O +ATOM 472 N ALA A 71 -10.120 59.656 25.004 1.00 59.59 N +ATOM 473 CA ALA A 71 -9.642 60.664 25.944 1.00 63.90 C +ATOM 474 C ALA A 71 -10.814 61.504 26.477 1.00 63.09 C +ATOM 475 O ALA A 71 -11.790 61.777 25.776 1.00 61.71 O +ATOM 476 CB ALA A 71 -8.569 61.522 25.256 1.00 61.98 C +ATOM 477 N LYS A 72 -10.719 61.906 27.751 1.00 60.91 N +ATOM 478 CA LYS A 72 -11.705 62.817 28.337 1.00 66.11 C +ATOM 479 C LYS A 72 -11.696 64.130 27.549 1.00 64.10 C +ATOM 480 O LYS A 72 -10.635 64.689 27.314 1.00 62.10 O +ATOM 481 CB LYS A 72 -11.384 63.025 29.823 1.00 63.94 C +ATOM 482 CG LYS A 72 -12.432 63.898 30.527 1.00 60.46 C +ATOM 483 CD LYS A 72 -12.103 64.045 32.004 1.00 60.32 C +ATOM 484 CE LYS A 72 -13.160 64.936 32.675 1.00 58.07 C +ATOM 485 NZ LYS A 72 -12.884 65.137 34.116 1.00 52.25 N +ATOM 486 N GLY A 73 -12.884 64.649 27.193 1.00 61.98 N +ATOM 487 CA GLY A 73 -13.006 65.938 26.523 1.00 63.31 C +ATOM 488 C GLY A 73 -12.397 67.073 27.350 1.00 64.66 C +ATOM 489 O GLY A 73 -12.422 67.049 28.582 1.00 62.65 O +ATOM 490 N GLU A 74 -11.853 68.063 26.663 1.00 53.17 N +ATOM 491 CA GLU A 74 -11.288 69.252 27.304 1.00 58.31 C +ATOM 492 C GLU A 74 -12.369 70.022 28.063 1.00 56.46 C +ATOM 493 O GLU A 74 -13.549 70.033 27.706 1.00 55.63 O +ATOM 494 CB GLU A 74 -10.582 70.151 26.282 1.00 57.71 C +ATOM 495 CG GLU A 74 -9.354 69.461 25.660 1.00 54.32 C +ATOM 496 CD GLU A 74 -8.534 70.398 24.744 1.00 51.40 C +ATOM 497 OE1 GLU A 74 -7.376 70.021 24.441 1.00 50.25 O +ATOM 498 OE2 GLU A 74 -9.063 71.468 24.371 1.00 49.06 O +ATOM 499 N THR A 75 -11.964 70.655 29.167 1.00 61.79 N +ATOM 500 CA THR A 75 -12.878 71.525 29.917 1.00 63.51 C +ATOM 501 C THR A 75 -13.228 72.729 29.053 1.00 60.80 C +ATOM 502 O THR A 75 -12.330 73.366 28.508 1.00 58.58 O +ATOM 503 CB THR A 75 -12.241 71.978 31.236 1.00 63.11 C +ATOM 504 OG1 THR A 75 -11.891 70.847 32.008 1.00 59.70 O +ATOM 505 CG2 THR A 75 -13.175 72.820 32.099 1.00 59.20 C +ATOM 506 N GLY A 76 -14.510 73.047 28.956 1.00 59.45 N +ATOM 507 CA GLY A 76 -14.949 74.228 28.221 1.00 60.21 C +ATOM 508 C GLY A 76 -14.292 75.514 28.728 1.00 60.60 C +ATOM 509 O GLY A 76 -13.951 75.608 29.913 1.00 59.33 O +ATOM 510 N PRO A 77 -14.128 76.554 27.862 1.00 59.39 N +ATOM 511 CA PRO A 77 -13.557 77.831 28.262 1.00 62.43 C +ATOM 512 C PRO A 77 -14.420 78.497 29.343 1.00 60.27 C +ATOM 513 O PRO A 77 -15.631 78.286 29.426 1.00 59.13 O +ATOM 514 CB PRO A 77 -13.473 78.669 26.977 1.00 62.19 C +ATOM 515 CG PRO A 77 -14.578 78.089 26.105 1.00 60.47 C +ATOM 516 CD PRO A 77 -14.568 76.601 26.478 1.00 63.43 C +ATOM 517 N ALA A 78 -13.803 79.336 30.188 1.00 59.39 N +ATOM 518 CA ALA A 78 -14.555 80.119 31.159 1.00 61.84 C +ATOM 519 C ALA A 78 -15.542 81.052 30.437 1.00 60.35 C +ATOM 520 O ALA A 78 -15.205 81.646 29.414 1.00 58.11 O +ATOM 521 CB ALA A 78 -13.579 80.906 32.044 1.00 60.77 C +ATOM 522 N GLY A 79 -16.735 81.185 30.989 1.00 56.35 N +ATOM 523 CA GLY A 79 -17.732 82.114 30.459 1.00 57.89 C +ATOM 524 C GLY A 79 -17.220 83.552 30.418 1.00 59.04 C +ATOM 525 O GLY A 79 -16.354 83.928 31.220 1.00 57.90 O +ATOM 526 N PRO A 80 -17.754 84.394 29.516 1.00 59.98 N +ATOM 527 CA PRO A 80 -17.355 85.790 29.412 1.00 63.15 C +ATOM 528 C PRO A 80 -17.629 86.531 30.723 1.00 62.15 C +ATOM 529 O PRO A 80 -18.552 86.200 31.473 1.00 61.25 O +ATOM 530 CB PRO A 80 -18.150 86.364 28.222 1.00 62.34 C +ATOM 531 CG PRO A 80 -19.384 85.472 28.170 1.00 59.73 C +ATOM 532 CD PRO A 80 -18.852 84.107 28.603 1.00 61.79 C +ATOM 533 N GLN A 81 -16.826 87.572 30.997 1.00 57.10 N +ATOM 534 CA GLN A 81 -17.089 88.437 32.147 1.00 60.74 C +ATOM 535 C GLN A 81 -18.436 89.140 31.964 1.00 59.05 C +ATOM 536 O GLN A 81 -18.730 89.655 30.886 1.00 57.29 O +ATOM 537 CB GLN A 81 -15.933 89.440 32.290 1.00 60.11 C +ATOM 538 CG GLN A 81 -16.073 90.323 33.536 1.00 57.39 C +ATOM 539 CD GLN A 81 -14.885 91.258 33.746 1.00 55.87 C +ATOM 540 OE1 GLN A 81 -13.896 91.249 33.052 1.00 56.95 O +ATOM 541 NE2 GLN A 81 -14.939 92.105 34.757 1.00 52.59 N +ATOM 542 N GLY A 82 -19.249 89.190 33.025 1.00 58.98 N +ATOM 543 CA GLY A 82 -20.517 89.902 32.996 1.00 60.07 C +ATOM 544 C GLY A 82 -20.357 91.381 32.619 1.00 61.73 C +ATOM 545 O GLY A 82 -19.291 91.972 32.870 1.00 60.29 O +ATOM 546 N PRO A 83 -21.392 92.016 32.027 1.00 61.18 N +ATOM 547 CA PRO A 83 -21.333 93.413 31.632 1.00 63.86 C +ATOM 548 C PRO A 83 -21.048 94.297 32.846 1.00 63.37 C +ATOM 549 O PRO A 83 -21.430 93.999 33.983 1.00 62.34 O +ATOM 550 CB PRO A 83 -22.692 93.716 30.972 1.00 62.66 C +ATOM 551 CG PRO A 83 -23.628 92.700 31.608 1.00 59.70 C +ATOM 552 CD PRO A 83 -22.725 91.476 31.807 1.00 61.29 C +ATOM 553 N ARG A 84 -20.378 95.419 32.602 1.00 61.09 N +ATOM 554 CA ARG A 84 -20.165 96.418 33.647 1.00 64.76 C +ATOM 555 C ARG A 84 -21.518 96.963 34.099 1.00 63.28 C +ATOM 556 O ARG A 84 -22.337 97.303 33.257 1.00 60.77 O +ATOM 557 CB ARG A 84 -19.248 97.522 33.105 1.00 62.96 C +ATOM 558 CG ARG A 84 -18.935 98.593 34.153 1.00 58.61 C +ATOM 559 CD ARG A 84 -17.991 99.645 33.559 1.00 58.88 C +ATOM 560 NE ARG A 84 -17.686 100.713 34.517 1.00 57.55 N +ATOM 561 CZ ARG A 84 -16.911 101.746 34.309 1.00 51.70 C +ATOM 562 NH1 ARG A 84 -16.310 101.940 33.167 1.00 52.38 N +ATOM 563 NH2 ARG A 84 -16.722 102.636 35.238 1.00 51.84 N +ATOM 564 N GLY A 85 -21.732 97.126 35.403 1.00 58.95 N +ATOM 565 CA GLY A 85 -22.942 97.726 35.942 1.00 59.67 C +ATOM 566 C GLY A 85 -23.182 99.125 35.385 1.00 61.94 C +ATOM 567 O GLY A 85 -22.228 99.872 35.119 1.00 60.10 O +ATOM 568 N GLU A 86 -24.445 99.484 35.190 1.00 53.68 N +ATOM 569 CA GLU A 86 -24.828 100.801 34.688 1.00 58.18 C +ATOM 570 C GLU A 86 -24.342 101.906 35.621 1.00 56.93 C +ATOM 571 O GLU A 86 -24.241 101.745 36.845 1.00 55.95 O +ATOM 572 CB GLU A 86 -26.353 100.887 34.477 1.00 57.50 C +ATOM 573 CG GLU A 86 -26.849 99.914 33.391 1.00 53.18 C +ATOM 574 CD GLU A 86 -28.337 100.092 33.040 1.00 50.12 C +ATOM 575 OE1 GLU A 86 -28.746 99.544 31.979 1.00 48.27 O +ATOM 576 OE2 GLU A 86 -29.042 100.777 33.807 1.00 46.86 O +ATOM 577 N GLN A 87 -24.010 103.081 35.041 1.00 58.08 N +ATOM 578 CA GLN A 87 -23.643 104.253 35.832 1.00 59.99 C +ATOM 579 C GLN A 87 -24.858 104.714 36.639 1.00 57.77 C +ATOM 580 O GLN A 87 -25.954 104.845 36.108 1.00 55.66 O +ATOM 581 CB GLN A 87 -23.112 105.358 34.904 1.00 59.54 C +ATOM 582 CG GLN A 87 -22.624 106.585 35.685 1.00 56.37 C +ATOM 583 CD GLN A 87 -21.995 107.661 34.792 1.00 54.80 C +ATOM 584 OE1 GLN A 87 -21.768 107.506 33.606 1.00 55.97 O +ATOM 585 NE2 GLN A 87 -21.672 108.804 35.346 1.00 51.73 N +ATOM 586 N GLY A 88 -24.664 104.981 37.925 1.00 56.09 N +ATOM 587 CA GLY A 88 -25.727 105.526 38.757 1.00 56.66 C +ATOM 588 C GLY A 88 -26.299 106.831 38.184 1.00 57.44 C +ATOM 589 O GLY A 88 -25.564 107.583 37.535 1.00 55.91 O +ATOM 590 N PRO A 89 -27.589 107.158 38.427 1.00 56.88 N +ATOM 591 CA PRO A 89 -28.215 108.362 37.918 1.00 59.79 C +ATOM 592 C PRO A 89 -27.479 109.605 38.425 1.00 57.55 C +ATOM 593 O PRO A 89 -26.944 109.629 39.542 1.00 56.45 O +ATOM 594 CB PRO A 89 -29.671 108.311 38.394 1.00 59.88 C +ATOM 595 CG PRO A 89 -29.618 107.422 39.628 1.00 57.71 C +ATOM 596 CD PRO A 89 -28.508 106.422 39.282 1.00 59.51 C +ATOM 597 N GLN A 90 -27.473 110.650 37.612 1.00 56.92 N +ATOM 598 CA GLN A 90 -26.901 111.930 38.016 1.00 59.33 C +ATOM 599 C GLN A 90 -27.660 112.479 39.233 1.00 57.09 C +ATOM 600 O GLN A 90 -28.887 112.460 39.271 1.00 55.17 O +ATOM 601 CB GLN A 90 -26.941 112.889 36.818 1.00 58.88 C +ATOM 602 CG GLN A 90 -26.240 114.225 37.118 1.00 55.64 C +ATOM 603 CD GLN A 90 -26.190 115.163 35.909 1.00 54.31 C +ATOM 604 OE1 GLN A 90 -26.546 114.842 34.793 1.00 53.95 O +ATOM 605 NE2 GLN A 90 -25.741 116.379 36.091 1.00 49.73 N +ATOM 606 N GLY A 91 -26.926 113.016 40.233 1.00 53.13 N +ATOM 607 CA GLY A 91 -27.534 113.674 41.385 1.00 53.74 C +ATOM 608 C GLY A 91 -28.423 114.848 40.958 1.00 54.02 C +ATOM 609 O GLY A 91 -28.114 115.555 39.997 1.00 52.53 O +ATOM 610 N LEU A 92 -29.539 115.060 41.662 1.00 54.11 N +ATOM 611 CA LEU A 92 -30.436 116.183 41.392 1.00 57.26 C +ATOM 612 C LEU A 92 -29.704 117.521 41.587 1.00 55.70 C +ATOM 613 O LEU A 92 -28.833 117.619 42.459 1.00 54.71 O +ATOM 614 CB LEU A 92 -31.680 116.094 42.297 1.00 56.97 C +ATOM 615 CG LEU A 92 -32.581 114.873 42.042 1.00 54.76 C +ATOM 616 CD1 LEU A 92 -33.710 114.820 43.068 1.00 53.37 C +ATOM 617 CD2 LEU A 92 -33.201 114.887 40.647 1.00 52.33 C +ATOM 618 N PRO A 93 -30.084 118.577 40.840 1.00 57.62 N +ATOM 619 CA PRO A 93 -29.538 119.913 41.064 1.00 59.51 C +ATOM 620 C PRO A 93 -29.748 120.353 42.517 1.00 56.88 C +ATOM 621 O PRO A 93 -30.815 120.140 43.089 1.00 56.09 O +ATOM 622 CB PRO A 93 -30.271 120.842 40.083 1.00 60.44 C +ATOM 623 CG PRO A 93 -30.728 119.913 38.963 1.00 57.91 C +ATOM 624 CD PRO A 93 -31.007 118.610 39.683 1.00 60.99 C +ATOM 625 N GLY A 94 -28.745 121.017 43.088 1.00 53.10 N +ATOM 626 CA GLY A 94 -28.875 121.613 44.414 1.00 54.58 C +ATOM 627 C GLY A 94 -30.020 122.631 44.453 1.00 55.30 C +ATOM 628 O GLY A 94 -30.320 123.299 43.462 1.00 53.87 O +ATOM 629 N ALA A 95 -30.663 122.818 45.610 1.00 52.91 N +ATOM 630 CA ALA A 95 -31.710 123.813 45.807 1.00 56.31 C +ATOM 631 C ALA A 95 -31.174 125.226 45.520 1.00 55.88 C +ATOM 632 O ALA A 95 -30.022 125.546 45.821 1.00 54.72 O +ATOM 633 CB ALA A 95 -32.258 123.674 47.229 1.00 55.15 C +ATOM 634 N ARG A 96 -32.017 126.046 44.927 1.00 54.46 N +ATOM 635 CA ARG A 96 -31.667 127.450 44.699 1.00 57.77 C +ATOM 636 C ARG A 96 -31.424 128.141 46.037 1.00 55.82 C +ATOM 637 O ARG A 96 -32.222 127.986 46.951 1.00 54.43 O +ATOM 638 CB ARG A 96 -32.779 128.119 43.889 1.00 57.53 C +ATOM 639 CG ARG A 96 -32.451 129.575 43.511 1.00 51.92 C +ATOM 640 CD ARG A 96 -33.562 130.159 42.651 1.00 52.00 C +ATOM 641 NE ARG A 96 -33.260 131.534 42.220 1.00 51.19 N +ATOM 642 CZ ARG A 96 -33.958 132.275 41.397 1.00 45.90 C +ATOM 643 NH1 ARG A 96 -35.090 131.859 40.902 1.00 47.09 N +ATOM 644 NH2 ARG A 96 -33.549 133.457 41.065 1.00 46.69 N +ATOM 645 N GLY A 97 -30.367 128.960 46.141 1.00 53.18 N +ATOM 646 CA GLY A 97 -30.076 129.752 47.331 1.00 55.29 C +ATOM 647 C GLY A 97 -31.233 130.694 47.680 1.00 56.14 C +ATOM 648 O GLY A 97 -31.920 131.217 46.799 1.00 54.52 O +ATOM 649 N GLU A 98 -31.456 130.929 48.949 1.00 48.22 N +ATOM 650 CA GLU A 98 -32.491 131.841 49.423 1.00 50.72 C +ATOM 651 C GLU A 98 -32.237 133.264 48.927 1.00 49.73 C +ATOM 652 O GLU A 98 -31.085 133.710 48.776 1.00 49.47 O +ATOM 653 CB GLU A 98 -32.600 131.800 50.956 1.00 50.91 C +ATOM 654 CG GLU A 98 -33.043 130.422 51.478 1.00 47.29 C +ATOM 655 CD GLU A 98 -33.329 130.394 52.987 1.00 45.40 C +ATOM 656 OE1 GLU A 98 -33.990 129.415 53.425 1.00 44.13 O +ATOM 657 OE2 GLU A 98 -32.900 131.342 53.684 1.00 43.22 O +ATOM 658 N ARG A 99 -33.327 133.998 48.674 1.00 53.56 N +ATOM 659 CA ARG A 99 -33.217 135.397 48.258 1.00 54.88 C +ATOM 660 C ARG A 99 -32.656 136.222 49.412 1.00 52.25 C +ATOM 661 O ARG A 99 -33.118 136.101 50.545 1.00 51.44 O +ATOM 662 CB ARG A 99 -34.590 135.891 47.778 1.00 55.61 C +ATOM 663 CG ARG A 99 -34.583 137.381 47.430 1.00 50.69 C +ATOM 664 CD ARG A 99 -35.945 137.865 46.922 1.00 51.00 C +ATOM 665 NE ARG A 99 -36.085 137.725 45.478 1.00 50.23 N +ATOM 666 CZ ARG A 99 -37.120 138.039 44.741 1.00 44.68 C +ATOM 667 NH1 ARG A 99 -38.225 138.467 45.263 1.00 46.65 N +ATOM 668 NH2 ARG A 99 -37.069 137.908 43.449 1.00 45.76 N +ATOM 669 N GLY A 100 -31.709 137.159 49.138 1.00 53.19 N +ATOM 670 CA GLY A 100 -31.171 138.114 50.114 1.00 53.91 C +ATOM 671 C GLY A 100 -32.268 138.998 50.727 1.00 53.54 C +ATOM 672 O GLY A 100 -33.227 139.374 50.048 1.00 52.04 O +ATOM 673 N PHE A 101 -32.156 139.406 52.007 1.00 48.85 N +ATOM 674 CA PHE A 101 -33.114 140.267 52.705 1.00 51.44 C +ATOM 675 C PHE A 101 -33.199 141.656 52.049 1.00 50.07 C +ATOM 676 O PHE A 101 -32.185 142.169 51.569 1.00 49.98 O +ATOM 677 CB PHE A 101 -32.749 140.364 54.191 1.00 51.73 C +ATOM 678 CG PHE A 101 -32.879 139.061 54.955 1.00 49.94 C +ATOM 679 CD1 PHE A 101 -34.134 138.637 55.420 1.00 48.21 C +ATOM 680 CD2 PHE A 101 -31.753 138.252 55.188 1.00 46.95 C +ATOM 681 CE1 PHE A 101 -34.274 137.422 56.108 1.00 43.44 C +ATOM 682 CE2 PHE A 101 -31.890 137.031 55.873 1.00 45.06 C +ATOM 683 CZ PHE A 101 -33.149 136.609 56.331 1.00 45.34 C +ATOM 684 N PRO A 102 -34.406 142.265 52.024 1.00 53.54 N +ATOM 685 CA PRO A 102 -34.550 143.631 51.530 1.00 54.66 C +ATOM 686 C PRO A 102 -33.685 144.605 52.333 1.00 52.45 C +ATOM 687 O PRO A 102 -33.651 144.532 53.562 1.00 52.16 O +ATOM 688 CB PRO A 102 -36.041 143.974 51.659 1.00 55.48 C +ATOM 689 CG PRO A 102 -36.738 142.623 51.752 1.00 52.94 C +ATOM 690 CD PRO A 102 -35.711 141.740 52.418 1.00 55.52 C +ATOM 691 N GLY A 103 -33.065 145.583 51.659 1.00 49.96 N +ATOM 692 CA GLY A 103 -32.338 146.671 52.302 1.00 51.69 C +ATOM 693 C GLY A 103 -33.265 147.588 53.112 1.00 52.14 C +ATOM 694 O GLY A 103 -34.457 147.717 52.823 1.00 50.71 O +ATOM 695 N GLU A 104 -32.739 148.339 54.154 1.00 45.81 N +ATOM 696 CA GLU A 104 -33.496 149.245 55.016 1.00 49.03 C +ATOM 697 C GLU A 104 -34.149 150.397 54.240 1.00 48.62 C +ATOM 698 O GLU A 104 -33.603 150.938 53.275 1.00 48.22 O +ATOM 699 CB GLU A 104 -32.593 149.778 56.147 1.00 48.76 C +ATOM 700 CG GLU A 104 -32.158 148.669 57.117 1.00 44.01 C +ATOM 701 CD GLU A 104 -31.409 149.195 58.352 1.00 41.55 C +ATOM 702 OE1 GLU A 104 -31.342 148.432 59.352 1.00 39.45 O +ATOM 703 OE2 GLU A 104 -30.919 150.346 58.293 1.00 39.61 O +ATOM 704 N ARG A 105 -35.359 150.799 54.697 1.00 46.55 N +ATOM 705 CA ARG A 105 -36.183 151.823 54.050 1.00 48.75 C +ATOM 706 C ARG A 105 -35.520 153.198 54.177 1.00 47.45 C +ATOM 707 O ARG A 105 -35.353 153.698 55.274 1.00 46.61 O +ATOM 708 CB ARG A 105 -37.607 151.780 54.651 1.00 48.96 C +ATOM 709 CG ARG A 105 -38.587 152.663 53.876 1.00 42.98 C +ATOM 710 CD ARG A 105 -39.975 152.677 54.533 1.00 41.18 C +ATOM 711 NE ARG A 105 -40.752 151.450 54.273 1.00 38.61 N +ATOM 712 CZ ARG A 105 -42.032 151.256 54.552 1.00 35.55 C +ATOM 713 NH1 ARG A 105 -42.745 152.174 55.123 1.00 36.64 N +ATOM 714 NH2 ARG A 105 -42.621 150.111 54.257 1.00 35.29 N +ATOM 715 N GLY A 106 -35.223 153.844 53.009 1.00 48.21 N +ATOM 716 CA GLY A 106 -34.626 155.174 52.911 1.00 49.50 C +ATOM 717 C GLY A 106 -33.433 155.263 51.975 1.00 49.15 C +ATOM 718 O GLY A 106 -33.055 156.370 51.564 1.00 47.37 O +ATOM 719 N VAL A 107 -32.927 154.268 51.652 1.00 46.48 N +ATOM 720 CA VAL A 107 -31.881 154.197 50.624 1.00 49.99 C +ATOM 721 C VAL A 107 -32.325 153.218 49.533 1.00 49.26 C +ATOM 722 O VAL A 107 -32.617 152.055 49.812 1.00 48.31 O +ATOM 723 CB VAL A 107 -30.526 153.772 51.214 1.00 49.76 C +ATOM 724 CG1 VAL A 107 -29.411 153.910 50.169 1.00 44.80 C +ATOM 725 CG2 VAL A 107 -30.116 154.625 52.422 1.00 44.94 C +ATOM 726 N GLN A 108 -32.427 153.797 48.332 1.00 47.10 N +ATOM 727 CA GLN A 108 -32.766 152.927 47.207 1.00 50.28 C +ATOM 728 C GLN A 108 -31.553 152.062 46.848 1.00 51.07 C +ATOM 729 O GLN A 108 -30.683 152.453 46.082 1.00 49.54 O +ATOM 730 CB GLN A 108 -33.284 153.792 46.050 1.00 48.85 C +ATOM 731 CG GLN A 108 -34.002 152.952 44.975 1.00 43.50 C +ATOM 732 CD GLN A 108 -34.707 153.811 43.924 1.00 39.38 C +ATOM 733 OE1 GLN A 108 -34.525 155.009 43.821 1.00 37.50 O +ATOM 734 NE2 GLN A 108 -35.564 153.246 43.115 1.00 36.01 N +ATOM 735 N VAL A 109 -31.522 151.007 47.502 1.00 44.75 N +ATOM 736 CA VAL A 109 -30.540 149.983 47.139 1.00 47.43 C +ATOM 737 C VAL A 109 -31.187 148.995 46.180 1.00 47.29 C +ATOM 738 O VAL A 109 -32.361 148.662 46.343 1.00 45.71 O +ATOM 739 CB VAL A 109 -29.916 149.283 48.366 1.00 46.33 C +ATOM 740 CG1 VAL A 109 -28.819 150.147 48.990 1.00 41.67 C +ATOM 741 CG2 VAL A 109 -30.935 148.943 49.453 1.00 40.96 C +ATOM 742 N PRO A 110 -30.483 148.670 45.207 1.00 49.54 N +ATOM 743 CA PRO A 110 -30.993 147.638 44.324 1.00 51.58 C +ATOM 744 C PRO A 110 -31.326 146.380 45.130 1.00 49.68 C +ATOM 745 O PRO A 110 -30.679 146.121 46.149 1.00 49.57 O +ATOM 746 CB PRO A 110 -29.903 147.417 43.279 1.00 52.59 C +ATOM 747 CG PRO A 110 -28.632 147.858 43.971 1.00 51.44 C +ATOM 748 CD PRO A 110 -29.093 148.963 44.889 1.00 53.27 C +ATOM 749 N PRO A 111 -32.345 145.653 44.699 1.00 50.15 N +ATOM 750 CA PRO A 111 -32.636 144.387 45.352 1.00 51.95 C +ATOM 751 C PRO A 111 -31.372 143.535 45.423 1.00 50.47 C +ATOM 752 O PRO A 111 -30.564 143.537 44.489 1.00 50.70 O +ATOM 753 CB PRO A 111 -33.749 143.714 44.539 1.00 53.21 C +ATOM 754 CG PRO A 111 -33.991 144.614 43.357 1.00 50.84 C +ATOM 755 CD PRO A 111 -33.198 145.863 43.537 1.00 53.09 C +ATOM 756 N GLY A 112 -31.261 142.910 46.528 1.00 47.51 N +ATOM 757 CA GLY A 112 -30.185 141.953 46.658 1.00 49.63 C +ATOM 758 C GLY A 112 -30.193 140.987 45.479 1.00 49.75 C +ATOM 759 O GLY A 112 -31.259 140.618 44.977 1.00 48.26 O +ATOM 760 N LYS A 113 -29.038 140.689 45.003 1.00 48.89 N +ATOM 761 CA LYS A 113 -28.918 139.691 43.940 1.00 52.90 C +ATOM 762 C LYS A 113 -29.508 138.378 44.404 1.00 52.65 C +ATOM 763 O LYS A 113 -29.367 138.003 45.568 1.00 52.39 O +ATOM 764 CB LYS A 113 -27.445 139.510 43.526 1.00 52.62 C +ATOM 765 CG LYS A 113 -26.830 140.775 42.910 1.00 49.06 C +ATOM 766 CD LYS A 113 -25.384 140.499 42.488 1.00 47.94 C +ATOM 767 CE LYS A 113 -24.710 141.746 41.919 1.00 45.32 C +ATOM 768 NZ LYS A 113 -23.288 141.498 41.602 1.00 41.07 N +ATOM 769 N ASP A 114 -30.204 137.774 43.510 1.00 51.04 N +ATOM 770 CA ASP A 114 -30.639 136.416 43.790 1.00 54.09 C +ATOM 771 C ASP A 114 -29.435 135.563 44.213 1.00 52.92 C +ATOM 772 O ASP A 114 -28.342 135.694 43.659 1.00 51.87 O +ATOM 773 CB ASP A 114 -31.341 135.811 42.569 1.00 53.40 C +ATOM 774 CG ASP A 114 -32.708 136.419 42.265 1.00 50.01 C +ATOM 775 OD1 ASP A 114 -33.389 136.856 43.208 1.00 48.16 O +ATOM 776 OD2 ASP A 114 -33.105 136.408 41.081 1.00 47.57 O +ATOM 777 N GLY A 115 -29.677 134.792 45.191 1.00 47.59 N +ATOM 778 CA GLY A 115 -28.668 133.840 45.602 1.00 49.05 C +ATOM 779 C GLY A 115 -28.230 132.976 44.419 1.00 48.73 C +ATOM 780 O GLY A 115 -29.044 132.633 43.553 1.00 47.36 O +ATOM 781 N GLU A 116 -26.994 132.745 44.391 1.00 47.48 N +ATOM 782 CA GLU A 116 -26.467 131.869 43.350 1.00 49.84 C +ATOM 783 C GLU A 116 -27.158 130.498 43.378 1.00 48.50 C +ATOM 784 O GLU A 116 -27.552 129.988 44.430 1.00 48.84 O +ATOM 785 CB GLU A 116 -24.934 131.734 43.455 1.00 50.38 C +ATOM 786 CG GLU A 116 -24.229 133.076 43.187 1.00 46.71 C +ATOM 787 CD GLU A 116 -22.690 132.990 43.131 1.00 44.93 C +ATOM 788 OE1 GLU A 116 -22.084 133.953 42.601 1.00 44.29 O +ATOM 789 OE2 GLU A 116 -22.137 131.974 43.614 1.00 43.75 O +ATOM 790 N ALA A 117 -27.351 129.978 42.238 1.00 53.76 N +ATOM 791 CA ALA A 117 -27.898 128.623 42.157 1.00 55.02 C +ATOM 792 C ALA A 117 -27.007 127.644 42.935 1.00 53.48 C +ATOM 793 O ALA A 117 -25.780 127.719 42.855 1.00 52.34 O +ATOM 794 CB ALA A 117 -28.052 128.220 40.680 1.00 54.50 C +ATOM 795 N GLY A 118 -27.673 126.875 43.705 1.00 46.49 N +ATOM 796 CA GLY A 118 -26.948 125.849 44.435 1.00 47.93 C +ATOM 797 C GLY A 118 -26.064 125.020 43.496 1.00 47.78 C +ATOM 798 O GLY A 118 -26.433 124.771 42.342 1.00 46.84 O +ATOM 799 N ALA A 119 -24.930 124.681 43.997 1.00 48.04 N +ATOM 800 CA ALA A 119 -24.014 123.841 43.232 1.00 50.49 C +ATOM 801 C ALA A 119 -24.700 122.540 42.780 1.00 49.72 C +ATOM 802 O ALA A 119 -25.552 121.984 43.469 1.00 49.52 O +ATOM 803 CB ALA A 119 -22.760 123.572 44.087 1.00 50.30 C +ATOM 804 N GLN A 120 -24.376 122.090 41.623 1.00 49.43 N +ATOM 805 CA GLN A 120 -24.858 120.809 41.130 1.00 52.04 C +ATOM 806 C GLN A 120 -24.490 119.697 42.109 1.00 51.16 C +ATOM 807 O GLN A 120 -23.355 119.628 42.588 1.00 50.69 O +ATOM 808 CB GLN A 120 -24.274 120.560 39.721 1.00 52.28 C +ATOM 809 CG GLN A 120 -24.782 119.258 39.086 1.00 48.59 C +ATOM 810 CD GLN A 120 -24.274 119.050 37.650 1.00 47.15 C +ATOM 811 OE1 GLN A 120 -23.646 119.901 37.045 1.00 47.75 O +ATOM 812 NE2 GLN A 120 -24.540 117.910 37.056 1.00 44.33 N +ATOM 813 N GLY A 121 -25.443 118.919 42.451 1.00 48.37 N +ATOM 814 CA GLY A 121 -25.204 117.768 43.305 1.00 50.07 C +ATOM 815 C GLY A 121 -24.096 116.860 42.736 1.00 50.32 C +ATOM 816 O GLY A 121 -23.923 116.799 41.514 1.00 49.51 O +ATOM 817 N PRO A 122 -23.402 116.227 43.599 1.00 50.67 N +ATOM 818 CA PRO A 122 -22.366 115.308 43.151 1.00 53.01 C +ATOM 819 C PRO A 122 -22.969 114.212 42.253 1.00 51.25 C +ATOM 820 O PRO A 122 -24.136 113.839 42.395 1.00 51.45 O +ATOM 821 CB PRO A 122 -21.734 114.734 44.423 1.00 53.93 C +ATOM 822 CG PRO A 122 -22.854 114.844 45.451 1.00 52.86 C +ATOM 823 CD PRO A 122 -23.569 116.134 45.037 1.00 54.80 C +ATOM 824 N ALA A 123 -22.178 113.727 41.359 1.00 55.78 N +ATOM 825 CA ALA A 123 -22.591 112.578 40.561 1.00 57.63 C +ATOM 826 C ALA A 123 -22.919 111.379 41.458 1.00 56.15 C +ATOM 827 O ALA A 123 -22.234 111.130 42.448 1.00 54.72 O +ATOM 828 CB ALA A 123 -21.489 112.234 39.542 1.00 57.14 C +ATOM 829 N GLY A 124 -23.973 110.709 41.129 1.00 51.56 N +ATOM 830 CA GLY A 124 -24.342 109.493 41.828 1.00 53.26 C +ATOM 831 C GLY A 124 -23.203 108.468 41.833 1.00 53.51 C +ATOM 832 O GLY A 124 -22.355 108.475 40.935 1.00 52.53 O +ATOM 833 N PRO A 125 -23.175 107.650 42.829 1.00 51.93 N +ATOM 834 CA PRO A 125 -22.161 106.613 42.900 1.00 55.04 C +ATOM 835 C PRO A 125 -22.216 105.713 41.656 1.00 53.07 C +ATOM 836 O PRO A 125 -23.274 105.499 41.064 1.00 53.22 O +ATOM 837 CB PRO A 125 -22.435 105.833 44.193 1.00 55.82 C +ATOM 838 CG PRO A 125 -23.929 106.040 44.418 1.00 54.17 C +ATOM 839 CD PRO A 125 -24.159 107.453 43.886 1.00 56.07 C +ATOM 840 N MET A 126 -21.083 105.205 41.268 1.00 56.57 N +ATOM 841 CA MET A 126 -21.025 104.207 40.200 1.00 58.52 C +ATOM 842 C MET A 126 -21.804 102.960 40.603 1.00 57.69 C +ATOM 843 O MET A 126 -21.674 102.492 41.736 1.00 55.65 O +ATOM 844 CB MET A 126 -19.548 103.892 39.899 1.00 57.36 C +ATOM 845 CG MET A 126 -19.387 103.025 38.647 1.00 52.60 C +ATOM 846 SD MET A 126 -17.657 102.824 38.115 1.00 50.55 S +ATOM 847 CE MET A 126 -17.058 101.703 39.399 1.00 49.50 C +ATOM 848 N GLY A 127 -22.579 102.414 39.686 1.00 53.98 N +ATOM 849 CA GLY A 127 -23.284 101.160 39.909 1.00 55.48 C +ATOM 850 C GLY A 127 -22.321 100.013 40.245 1.00 55.73 C +ATOM 851 O GLY A 127 -21.138 100.084 39.895 1.00 54.45 O +ATOM 852 N PRO A 128 -22.831 99.055 40.953 1.00 53.46 N +ATOM 853 CA PRO A 128 -22.012 97.900 41.294 1.00 56.72 C +ATOM 854 C PRO A 128 -21.441 97.238 40.027 1.00 54.75 C +ATOM 855 O PRO A 128 -22.026 97.315 38.949 1.00 54.46 O +ATOM 856 CB PRO A 128 -22.926 96.957 42.085 1.00 57.16 C +ATOM 857 CG PRO A 128 -24.322 97.321 41.595 1.00 55.46 C +ATOM 858 CD PRO A 128 -24.214 98.822 41.337 1.00 57.08 C +ATOM 859 N ALA A 129 -20.309 96.639 40.168 1.00 60.47 N +ATOM 860 CA ALA A 129 -19.764 95.848 39.074 1.00 62.50 C +ATOM 861 C ALA A 129 -20.729 94.712 38.713 1.00 62.07 C +ATOM 862 O ALA A 129 -21.315 94.099 39.599 1.00 59.83 O +ATOM 863 CB ALA A 129 -18.378 95.315 39.458 1.00 60.68 C +ATOM 864 N GLY A 130 -20.862 94.428 37.441 1.00 55.96 N +ATOM 865 CA GLY A 130 -21.662 93.309 36.979 1.00 57.81 C +ATOM 866 C GLY A 130 -21.163 91.979 37.551 1.00 59.07 C +ATOM 867 O GLY A 130 -19.969 91.816 37.822 1.00 57.40 O +ATOM 868 N GLU A 131 -22.073 91.099 37.737 1.00 53.10 N +ATOM 869 CA GLU A 131 -21.743 89.762 38.232 1.00 57.82 C +ATOM 870 C GLU A 131 -20.754 89.059 37.300 1.00 56.60 C +ATOM 871 O GLU A 131 -20.713 89.269 36.082 1.00 55.73 O +ATOM 872 CB GLU A 131 -23.012 88.925 38.444 1.00 56.94 C +ATOM 873 CG GLU A 131 -23.916 89.516 39.541 1.00 52.23 C +ATOM 874 CD GLU A 131 -25.109 88.619 39.922 1.00 49.00 C +ATOM 875 OE1 GLU A 131 -25.692 88.893 41.000 1.00 47.33 O +ATOM 876 OE2 GLU A 131 -25.409 87.691 39.141 1.00 45.95 O +ATOM 877 N ARG A 132 -19.916 88.239 37.889 1.00 58.17 N +ATOM 878 CA ARG A 132 -18.985 87.435 37.109 1.00 61.47 C +ATOM 879 C ARG A 132 -19.772 86.429 36.284 1.00 60.26 C +ATOM 880 O ARG A 132 -20.628 85.743 36.822 1.00 58.25 O +ATOM 881 CB ARG A 132 -17.986 86.744 38.049 1.00 59.80 C +ATOM 882 CG ARG A 132 -16.946 85.925 37.283 1.00 54.24 C +ATOM 883 CD ARG A 132 -15.971 85.276 38.258 1.00 54.09 C +ATOM 884 NE ARG A 132 -14.949 84.492 37.550 1.00 53.27 N +ATOM 885 CZ ARG A 132 -13.968 83.804 38.104 1.00 47.97 C +ATOM 886 NH1 ARG A 132 -13.820 83.744 39.405 1.00 48.82 N +ATOM 887 NH2 ARG A 132 -13.112 83.167 37.355 1.00 47.96 N +ATOM 888 N GLY A 133 -19.446 86.334 35.028 1.00 57.66 N +ATOM 889 CA GLY A 133 -20.059 85.329 34.163 1.00 58.97 C +ATOM 890 C GLY A 133 -19.902 83.913 34.721 1.00 60.21 C +ATOM 891 O GLY A 133 -18.893 83.596 35.369 1.00 58.51 O +ATOM 892 N GLU A 134 -20.897 83.129 34.465 1.00 52.71 N +ATOM 893 CA GLU A 134 -20.894 81.727 34.886 1.00 57.71 C +ATOM 894 C GLU A 134 -19.717 80.970 34.275 1.00 56.77 C +ATOM 895 O GLU A 134 -19.225 81.265 33.177 1.00 55.70 O +ATOM 896 CB GLU A 134 -22.227 81.036 34.557 1.00 56.55 C +ATOM 897 CG GLU A 134 -23.404 81.656 35.340 1.00 51.91 C +ATOM 898 CD GLU A 134 -24.724 80.881 35.177 1.00 48.56 C +ATOM 899 OE1 GLU A 134 -25.618 81.095 36.036 1.00 46.84 O +ATOM 900 OE2 GLU A 134 -24.816 80.078 34.221 1.00 45.63 O +ATOM 901 N LYS A 135 -19.231 80.004 35.038 1.00 61.74 N +ATOM 902 CA LYS A 135 -18.168 79.135 34.541 1.00 65.67 C +ATOM 903 C LYS A 135 -18.724 78.285 33.400 1.00 64.19 C +ATOM 904 O LYS A 135 -19.790 77.703 33.549 1.00 62.77 O +ATOM 905 CB LYS A 135 -17.629 78.279 35.698 1.00 63.33 C +ATOM 906 CG LYS A 135 -16.451 77.400 35.267 1.00 58.47 C +ATOM 907 CD LYS A 135 -15.940 76.565 36.428 1.00 57.80 C +ATOM 908 CE LYS A 135 -14.810 75.659 35.933 1.00 55.98 C +ATOM 909 NZ LYS A 135 -14.335 74.730 36.989 1.00 50.54 N +ATOM 910 N GLY A 136 -17.996 78.212 32.326 1.00 57.47 N +ATOM 911 CA GLY A 136 -18.374 77.328 31.231 1.00 58.61 C +ATOM 912 C GLY A 136 -18.546 75.880 31.694 1.00 59.65 C +ATOM 913 O GLY A 136 -17.821 75.405 32.573 1.00 57.59 O +ATOM 914 N GLU A 137 -19.507 75.233 31.111 1.00 54.21 N +ATOM 915 CA GLU A 137 -19.768 73.821 31.403 1.00 59.35 C +ATOM 916 C GLU A 137 -18.544 72.952 31.065 1.00 57.87 C +ATOM 917 O GLU A 137 -17.795 73.241 30.129 1.00 56.78 O +ATOM 918 CB GLU A 137 -21.007 73.309 30.656 1.00 57.96 C +ATOM 919 CG GLU A 137 -22.301 73.987 31.124 1.00 53.56 C +ATOM 920 CD GLU A 137 -23.569 73.339 30.533 1.00 49.85 C +ATOM 921 OE1 GLU A 137 -24.650 73.518 31.139 1.00 47.75 O +ATOM 922 OE2 GLU A 137 -23.446 72.653 29.487 1.00 46.88 O +ATOM 923 N PRO A 138 -18.313 71.877 31.828 1.00 60.07 N +ATOM 924 CA PRO A 138 -17.289 70.904 31.473 1.00 62.86 C +ATOM 925 C PRO A 138 -17.531 70.346 30.069 1.00 60.77 C +ATOM 926 O PRO A 138 -18.662 70.028 29.708 1.00 59.30 O +ATOM 927 CB PRO A 138 -17.363 69.787 32.525 1.00 63.09 C +ATOM 928 CG PRO A 138 -18.017 70.470 33.721 1.00 59.86 C +ATOM 929 CD PRO A 138 -18.958 71.475 33.077 1.00 62.37 C +ATOM 930 N GLY A 139 -16.476 70.204 29.323 1.00 56.77 N +ATOM 931 CA GLY A 139 -16.563 69.530 28.034 1.00 58.53 C +ATOM 932 C GLY A 139 -17.135 68.120 28.182 1.00 59.38 C +ATOM 933 O GLY A 139 -16.888 67.422 29.172 1.00 57.82 O +ATOM 934 N THR A 140 -17.904 67.709 27.199 1.00 55.33 N +ATOM 935 CA THR A 140 -18.467 66.356 27.173 1.00 58.83 C +ATOM 936 C THR A 140 -17.344 65.314 27.151 1.00 56.81 C +ATOM 937 O THR A 140 -16.277 65.520 26.579 1.00 55.44 O +ATOM 938 CB THR A 140 -19.418 66.152 25.990 1.00 58.38 C +ATOM 939 OG1 THR A 140 -18.802 66.490 24.778 1.00 54.99 O +ATOM 940 CG2 THR A 140 -20.660 67.024 26.113 1.00 55.08 C +ATOM 941 N GLN A 141 -17.594 64.203 27.825 1.00 58.73 N +ATOM 942 CA GLN A 141 -16.641 63.101 27.794 1.00 62.59 C +ATOM 943 C GLN A 141 -16.508 62.582 26.361 1.00 60.32 C +ATOM 944 O GLN A 141 -17.511 62.384 25.675 1.00 57.75 O +ATOM 945 CB GLN A 141 -17.094 62.012 28.774 1.00 61.44 C +ATOM 946 CG GLN A 141 -16.085 60.853 28.858 1.00 58.50 C +ATOM 947 CD GLN A 141 -16.455 59.804 29.910 1.00 56.06 C +ATOM 948 OE1 GLN A 141 -17.409 59.899 30.655 1.00 55.43 O +ATOM 949 NE2 GLN A 141 -15.686 58.744 30.018 1.00 51.52 N +ATOM 950 N GLY A 142 -15.289 62.337 25.924 1.00 57.36 N +ATOM 951 CA GLY A 142 -15.044 61.727 24.624 1.00 58.76 C +ATOM 952 C GLY A 142 -15.755 60.376 24.490 1.00 59.29 C +ATOM 953 O GLY A 142 -15.879 59.625 25.456 1.00 57.40 O +ATOM 954 N ALA A 143 -16.235 60.101 23.303 1.00 58.86 N +ATOM 955 CA ALA A 143 -16.860 58.821 23.019 1.00 62.74 C +ATOM 956 C ALA A 143 -15.892 57.666 23.332 1.00 62.28 C +ATOM 957 O ALA A 143 -14.680 57.780 23.163 1.00 60.70 O +ATOM 958 CB ALA A 143 -17.335 58.797 21.555 1.00 60.60 C +ATOM 959 N LYS A 144 -16.458 56.562 23.830 1.00 62.74 N +ATOM 960 CA LYS A 144 -15.673 55.346 24.043 1.00 67.72 C +ATOM 961 C LYS A 144 -15.130 54.862 22.704 1.00 66.43 C +ATOM 962 O LYS A 144 -15.883 54.807 21.733 1.00 64.38 O +ATOM 963 CB LYS A 144 -16.551 54.292 24.731 1.00 64.85 C +ATOM 964 CG LYS A 144 -15.767 53.012 25.066 1.00 59.49 C +ATOM 965 CD LYS A 144 -16.655 52.010 25.807 1.00 58.94 C +ATOM 966 CE LYS A 144 -15.844 50.745 26.116 1.00 56.37 C +ATOM 967 NZ LYS A 144 -16.656 49.739 26.837 1.00 50.69 N +ATOM 968 N GLY A 145 -13.871 54.490 22.670 1.00 58.68 N +ATOM 969 CA GLY A 145 -13.274 53.919 21.467 1.00 60.59 C +ATOM 970 C GLY A 145 -14.011 52.654 21.007 1.00 61.94 C +ATOM 971 O GLY A 145 -14.530 51.892 21.827 1.00 59.38 O +ATOM 972 N ASP A 146 -14.054 52.469 19.710 1.00 58.09 N +ATOM 973 CA ASP A 146 -14.676 51.289 19.121 1.00 63.02 C +ATOM 974 C ASP A 146 -14.009 50.006 19.613 1.00 62.41 C +ATOM 975 O ASP A 146 -12.819 49.955 19.950 1.00 61.18 O +ATOM 976 CB ASP A 146 -14.650 51.366 17.582 1.00 60.70 C +ATOM 977 CG ASP A 146 -15.515 52.500 17.029 1.00 57.34 C +ATOM 978 OD1 ASP A 146 -16.617 52.716 17.591 1.00 55.21 O +ATOM 979 OD2 ASP A 146 -15.073 53.132 16.051 1.00 52.51 O +ATOM 980 N ARG A 147 -14.798 48.937 19.688 1.00 62.83 N +ATOM 981 CA ARG A 147 -14.262 47.616 20.033 1.00 67.63 C +ATOM 982 C ARG A 147 -13.300 47.179 18.948 1.00 65.21 C +ATOM 983 O ARG A 147 -13.642 47.220 17.777 1.00 61.76 O +ATOM 984 CB ARG A 147 -15.424 46.625 20.220 1.00 65.11 C +ATOM 985 CG ARG A 147 -14.925 45.237 20.649 1.00 60.80 C +ATOM 986 CD ARG A 147 -16.114 44.296 20.861 1.00 60.50 C +ATOM 987 NE ARG A 147 -15.677 42.955 21.271 1.00 58.46 N +ATOM 988 CZ ARG A 147 -16.461 41.919 21.538 1.00 52.84 C +ATOM 989 NH1 ARG A 147 -17.758 42.012 21.452 1.00 53.32 N +ATOM 990 NH2 ARG A 147 -15.944 40.778 21.878 1.00 51.81 N +ATOM 991 N GLY A 148 -12.136 46.710 19.351 1.00 60.27 N +ATOM 992 CA GLY A 148 -11.175 46.152 18.411 1.00 61.08 C +ATOM 993 C GLY A 148 -11.777 45.003 17.596 1.00 61.52 C +ATOM 994 O GLY A 148 -12.599 44.230 18.095 1.00 59.30 O +ATOM 995 N GLU A 149 -11.366 44.908 16.345 1.00 56.09 N +ATOM 996 CA GLU A 149 -11.804 43.838 15.452 1.00 60.81 C +ATOM 997 C GLU A 149 -11.433 42.465 16.020 1.00 58.85 C +ATOM 998 O GLU A 149 -10.422 42.269 16.701 1.00 57.84 O +ATOM 999 CB GLU A 149 -11.224 44.011 14.044 1.00 59.66 C +ATOM 1000 CG GLU A 149 -11.742 45.293 13.357 1.00 55.67 C +ATOM 1001 CD GLU A 149 -11.287 45.408 11.891 1.00 53.00 C +ATOM 1002 OE1 GLU A 149 -11.899 46.229 11.168 1.00 51.39 O +ATOM 1003 OE2 GLU A 149 -10.342 44.678 11.496 1.00 50.20 O +ATOM 1004 N THR A 150 -12.300 41.488 15.741 1.00 66.88 N +ATOM 1005 CA THR A 150 -12.021 40.099 16.109 1.00 67.62 C +ATOM 1006 C THR A 150 -10.792 39.624 15.341 1.00 64.84 C +ATOM 1007 O THR A 150 -10.714 39.818 14.131 1.00 61.50 O +ATOM 1008 CB THR A 150 -13.225 39.200 15.816 1.00 66.29 C +ATOM 1009 OG1 THR A 150 -14.364 39.692 16.491 1.00 62.62 O +ATOM 1010 CG2 THR A 150 -13.031 37.761 16.293 1.00 62.51 C +ATOM 1011 N GLY A 151 -9.860 39.009 16.037 1.00 58.99 N +ATOM 1012 CA GLY A 151 -8.671 38.464 15.395 1.00 59.83 C +ATOM 1013 C GLY A 151 -9.031 37.460 14.289 1.00 60.11 C +ATOM 1014 O GLY A 151 -10.071 36.799 14.366 1.00 58.82 O +ATOM 1015 N PRO A 152 -8.186 37.328 13.275 1.00 59.36 N +ATOM 1016 CA PRO A 152 -8.431 36.390 12.195 1.00 62.70 C +ATOM 1017 C PRO A 152 -8.560 34.955 12.723 1.00 61.12 C +ATOM 1018 O PRO A 152 -7.929 34.580 13.718 1.00 60.41 O +ATOM 1019 CB PRO A 152 -7.251 36.550 11.221 1.00 61.93 C +ATOM 1020 CG PRO A 152 -6.129 37.071 12.114 1.00 59.48 C +ATOM 1021 CD PRO A 152 -6.877 37.949 13.134 1.00 61.09 C +ATOM 1022 N VAL A 153 -9.383 34.161 12.049 1.00 66.53 N +ATOM 1023 CA VAL A 153 -9.501 32.737 12.356 1.00 68.63 C +ATOM 1024 C VAL A 153 -8.140 32.078 12.155 1.00 68.01 C +ATOM 1025 O VAL A 153 -7.469 32.324 11.154 1.00 65.02 O +ATOM 1026 CB VAL A 153 -10.585 32.063 11.479 1.00 66.14 C +ATOM 1027 CG1 VAL A 153 -10.729 30.566 11.759 1.00 61.04 C +ATOM 1028 CG2 VAL A 153 -11.965 32.705 11.728 1.00 63.19 C +ATOM 1029 N GLY A 154 -7.733 31.245 13.116 1.00 57.86 N +ATOM 1030 CA GLY A 154 -6.484 30.509 13.013 1.00 59.80 C +ATOM 1031 C GLY A 154 -6.422 29.651 11.739 1.00 60.53 C +ATOM 1032 O GLY A 154 -7.463 29.229 11.224 1.00 59.41 O +ATOM 1033 N PRO A 155 -5.227 29.397 11.229 1.00 58.75 N +ATOM 1034 CA PRO A 155 -5.075 28.577 10.042 1.00 62.16 C +ATOM 1035 C PRO A 155 -5.712 27.203 10.260 1.00 61.18 C +ATOM 1036 O PRO A 155 -5.700 26.649 11.363 1.00 59.93 O +ATOM 1037 CB PRO A 155 -3.567 28.497 9.771 1.00 61.24 C +ATOM 1038 CG PRO A 155 -2.950 28.738 11.149 1.00 59.04 C +ATOM 1039 CD PRO A 155 -3.936 29.708 11.804 1.00 60.67 C +ATOM 1040 N ARG A 156 -6.283 26.658 9.194 1.00 62.29 N +ATOM 1041 CA ARG A 156 -6.833 25.301 9.231 1.00 65.95 C +ATOM 1042 C ARG A 156 -5.708 24.313 9.524 1.00 63.96 C +ATOM 1043 O ARG A 156 -4.673 24.388 8.868 1.00 61.05 O +ATOM 1044 CB ARG A 156 -7.532 25.012 7.899 1.00 63.36 C +ATOM 1045 CG ARG A 156 -8.172 23.616 7.855 1.00 58.12 C +ATOM 1046 CD ARG A 156 -8.895 23.435 6.525 1.00 57.84 C +ATOM 1047 NE ARG A 156 -9.480 22.088 6.407 1.00 55.97 N +ATOM 1048 CZ ARG A 156 -10.187 21.632 5.383 1.00 50.05 C +ATOM 1049 NH1 ARG A 156 -10.479 22.397 4.369 1.00 50.54 N +ATOM 1050 NH2 ARG A 156 -10.599 20.406 5.366 1.00 49.34 N +ATOM 1051 N GLY A 157 -5.957 23.373 10.438 1.00 58.89 N +ATOM 1052 CA GLY A 157 -5.013 22.302 10.721 1.00 59.97 C +ATOM 1053 C GLY A 157 -4.610 21.548 9.451 1.00 60.94 C +ATOM 1054 O GLY A 157 -5.412 21.389 8.525 1.00 58.79 O +ATOM 1055 N GLU A 158 -3.367 21.109 9.420 1.00 53.44 N +ATOM 1056 CA GLU A 158 -2.845 20.334 8.298 1.00 57.72 C +ATOM 1057 C GLU A 158 -3.650 19.041 8.120 1.00 56.42 C +ATOM 1058 O GLU A 158 -4.197 18.463 9.065 1.00 55.45 O +ATOM 1059 CB GLU A 158 -1.349 20.050 8.460 1.00 56.71 C +ATOM 1060 CG GLU A 158 -0.521 21.361 8.428 1.00 52.69 C +ATOM 1061 CD GLU A 158 0.996 21.124 8.403 1.00 50.30 C +ATOM 1062 OE1 GLU A 158 1.705 22.112 8.081 1.00 48.26 O +ATOM 1063 OE2 GLU A 158 1.428 19.991 8.681 1.00 47.59 O +ATOM 1064 N ARG A 159 -3.781 18.615 6.869 1.00 62.46 N +ATOM 1065 CA ARG A 159 -4.446 17.348 6.579 1.00 65.18 C +ATOM 1066 C ARG A 159 -3.598 16.216 7.157 1.00 62.98 C +ATOM 1067 O ARG A 159 -2.411 16.168 6.863 1.00 60.26 O +ATOM 1068 CB ARG A 159 -4.648 17.205 5.065 1.00 63.18 C +ATOM 1069 CG ARG A 159 -5.393 15.919 4.708 1.00 58.51 C +ATOM 1070 CD ARG A 159 -5.580 15.832 3.192 1.00 59.23 C +ATOM 1071 NE ARG A 159 -6.311 14.617 2.804 1.00 57.59 N +ATOM 1072 CZ ARG A 159 -6.607 14.243 1.568 1.00 52.33 C +ATOM 1073 NH1 ARG A 159 -6.260 14.951 0.540 1.00 52.94 N +ATOM 1074 NH2 ARG A 159 -7.254 13.133 1.361 1.00 51.96 N +ATOM 1075 N GLY A 160 -4.229 15.314 7.905 1.00 55.36 N +ATOM 1076 CA GLY A 160 -3.547 14.124 8.398 1.00 56.25 C +ATOM 1077 C GLY A 160 -2.861 13.357 7.260 1.00 56.22 C +ATOM 1078 O GLY A 160 -3.375 13.299 6.140 1.00 54.25 O +ATOM 1079 N GLU A 161 -1.698 12.808 7.566 1.00 50.75 N +ATOM 1080 CA GLU A 161 -0.954 11.993 6.616 1.00 54.01 C +ATOM 1081 C GLU A 161 -1.805 10.806 6.141 1.00 52.01 C +ATOM 1082 O GLU A 161 -2.646 10.268 6.868 1.00 51.84 O +ATOM 1083 CB GLU A 161 0.375 11.507 7.209 1.00 54.31 C +ATOM 1084 CG GLU A 161 1.349 12.672 7.483 1.00 50.82 C +ATOM 1085 CD GLU A 161 2.751 12.196 7.929 1.00 48.91 C +ATOM 1086 OE1 GLU A 161 3.685 13.027 7.852 1.00 47.93 O +ATOM 1087 OE2 GLU A 161 2.877 11.009 8.318 1.00 47.18 O +ATOM 1088 N ALA A 162 -1.607 10.418 4.889 1.00 61.57 N +ATOM 1089 CA ALA A 162 -2.265 9.228 4.375 1.00 62.62 C +ATOM 1090 C ALA A 162 -1.806 8.009 5.188 1.00 61.48 C +ATOM 1091 O ALA A 162 -0.616 7.855 5.456 1.00 58.80 O +ATOM 1092 CB ALA A 162 -1.968 9.075 2.881 1.00 61.02 C +ATOM 1093 N GLY A 163 -2.757 7.151 5.560 1.00 51.76 N +ATOM 1094 CA GLY A 163 -2.413 5.898 6.234 1.00 53.16 C +ATOM 1095 C GLY A 163 -1.413 5.078 5.407 1.00 52.70 C +ATOM 1096 O GLY A 163 -1.425 5.159 4.176 1.00 51.39 O +ATOM 1097 N PRO A 164 -0.562 4.293 6.073 1.00 52.08 N +ATOM 1098 CA PRO A 164 0.405 3.461 5.373 1.00 55.24 C +ATOM 1099 C PRO A 164 -0.310 2.527 4.384 1.00 52.96 C +ATOM 1100 O PRO A 164 -1.448 2.103 4.607 1.00 52.89 O +ATOM 1101 CB PRO A 164 1.162 2.693 6.464 1.00 56.01 C +ATOM 1102 CG PRO A 164 0.183 2.673 7.637 1.00 55.14 C +ATOM 1103 CD PRO A 164 -0.539 4.010 7.502 1.00 57.38 C +ATOM 1104 N ALA A 165 0.368 2.214 3.282 1.00 55.07 N +ATOM 1105 CA ALA A 165 -0.145 1.237 2.327 1.00 57.14 C +ATOM 1106 C ALA A 165 -0.433 -0.093 3.051 1.00 55.37 C +ATOM 1107 O ALA A 165 0.317 -0.504 3.937 1.00 53.87 O +ATOM 1108 CB ALA A 165 0.844 1.076 1.173 1.00 56.39 C +ATOM 1109 N GLY A 166 -1.544 -0.736 2.681 1.00 49.76 N +ATOM 1110 CA GLY A 166 -1.844 -2.071 3.187 1.00 51.67 C +ATOM 1111 C GLY A 166 -0.693 -3.031 2.870 1.00 51.84 C +ATOM 1112 O GLY A 166 -0.050 -2.898 1.833 1.00 50.49 O +ATOM 1113 N LYS A 167 -0.442 -3.958 3.773 1.00 48.38 N +ATOM 1114 CA LYS A 167 0.572 -4.989 3.546 1.00 52.23 C +ATOM 1115 C LYS A 167 0.225 -5.779 2.284 1.00 50.86 C +ATOM 1116 O LYS A 167 -0.954 -6.016 2.015 1.00 50.41 O +ATOM 1117 CB LYS A 167 0.689 -5.928 4.753 1.00 51.77 C +ATOM 1118 CG LYS A 167 1.210 -5.219 6.004 1.00 48.75 C +ATOM 1119 CD LYS A 167 1.351 -6.220 7.160 1.00 47.49 C +ATOM 1120 CE LYS A 167 1.858 -5.524 8.428 1.00 45.04 C +ATOM 1121 NZ LYS A 167 1.989 -6.476 9.556 1.00 40.75 N +ATOM 1122 N ASP A 168 1.253 -6.193 1.553 1.00 51.01 N +ATOM 1123 CA ASP A 168 1.067 -7.084 0.427 1.00 53.88 C +ATOM 1124 C ASP A 168 0.283 -8.328 0.858 1.00 52.94 C +ATOM 1125 O ASP A 168 0.479 -8.850 1.962 1.00 51.90 O +ATOM 1126 CB ASP A 168 2.417 -7.477 -0.198 1.00 52.49 C +ATOM 1127 CG ASP A 168 3.133 -6.302 -0.869 1.00 49.60 C +ATOM 1128 OD1 ASP A 168 2.436 -5.371 -1.315 1.00 47.47 O +ATOM 1129 OD2 ASP A 168 4.381 -6.353 -0.934 1.00 46.62 O +ATOM 1130 N GLY A 169 -0.643 -8.761 0.003 1.00 48.16 N +ATOM 1131 CA GLY A 169 -1.390 -9.978 0.246 1.00 50.08 C +ATOM 1132 C GLY A 169 -0.452 -11.176 0.410 1.00 50.63 C +ATOM 1133 O GLY A 169 0.591 -11.252 -0.241 1.00 49.00 O +ATOM 1134 N GLU A 170 -0.831 -12.097 1.279 1.00 44.11 N +ATOM 1135 CA GLU A 170 -0.065 -13.322 1.455 1.00 47.44 C +ATOM 1136 C GLU A 170 0.063 -14.065 0.118 1.00 46.93 C +ATOM 1137 O GLU A 170 -0.850 -14.074 -0.714 1.00 46.84 O +ATOM 1138 CB GLU A 170 -0.691 -14.219 2.533 1.00 47.33 C +ATOM 1139 CG GLU A 170 -0.613 -13.575 3.929 1.00 43.57 C +ATOM 1140 CD GLU A 170 -1.107 -14.492 5.061 1.00 40.70 C +ATOM 1141 OE1 GLU A 170 -0.838 -14.135 6.225 1.00 38.67 O +ATOM 1142 OE2 GLU A 170 -1.743 -15.520 4.759 1.00 38.80 O +ATOM 1143 N ARG A 171 1.218 -14.672 -0.092 1.00 48.25 N +ATOM 1144 CA ARG A 171 1.442 -15.492 -1.283 1.00 50.56 C +ATOM 1145 C ARG A 171 0.398 -16.607 -1.307 1.00 48.57 C +ATOM 1146 O ARG A 171 0.242 -17.317 -0.324 1.00 48.58 O +ATOM 1147 CB ARG A 171 2.875 -16.034 -1.256 1.00 51.17 C +ATOM 1148 CG ARG A 171 3.261 -16.777 -2.548 1.00 47.51 C +ATOM 1149 CD ARG A 171 4.706 -17.261 -2.423 1.00 47.25 C +ATOM 1150 NE ARG A 171 5.208 -17.886 -3.664 1.00 46.61 N +ATOM 1151 CZ ARG A 171 6.419 -18.407 -3.825 1.00 42.64 C +ATOM 1152 NH1 ARG A 171 7.280 -18.455 -2.857 1.00 43.86 N +ATOM 1153 NH2 ARG A 171 6.798 -18.898 -4.965 1.00 43.06 N +ATOM 1154 N GLY A 172 -0.281 -16.751 -2.437 1.00 49.23 N +ATOM 1155 CA GLY A 172 -1.247 -17.822 -2.608 1.00 50.52 C +ATOM 1156 C GLY A 172 -0.633 -19.198 -2.333 1.00 50.53 C +ATOM 1157 O GLY A 172 0.578 -19.377 -2.514 1.00 49.08 O +ATOM 1158 N PRO A 173 -1.441 -20.165 -1.904 1.00 47.38 N +ATOM 1159 CA PRO A 173 -0.954 -21.519 -1.665 1.00 50.12 C +ATOM 1160 C PRO A 173 -0.305 -22.076 -2.932 1.00 47.93 C +ATOM 1161 O PRO A 173 -0.711 -21.756 -4.050 1.00 48.19 O +ATOM 1162 CB PRO A 173 -2.173 -22.332 -1.220 1.00 51.06 C +ATOM 1163 CG PRO A 173 -3.350 -21.581 -1.834 1.00 50.28 C +ATOM 1164 CD PRO A 173 -2.882 -20.120 -1.779 1.00 51.64 C +ATOM 1165 N VAL A 174 0.706 -22.912 -2.746 1.00 52.12 N +ATOM 1166 CA VAL A 174 1.328 -23.631 -3.863 1.00 55.21 C +ATOM 1167 C VAL A 174 0.239 -24.447 -4.571 1.00 53.42 C +ATOM 1168 O VAL A 174 -0.546 -25.117 -3.911 1.00 52.33 O +ATOM 1169 CB VAL A 174 2.488 -24.527 -3.371 1.00 54.46 C +ATOM 1170 CG1 VAL A 174 3.135 -25.326 -4.506 1.00 50.71 C +ATOM 1171 CG2 VAL A 174 3.594 -23.678 -2.727 1.00 51.25 C +ATOM 1172 N GLY A 175 0.187 -24.347 -5.893 1.00 47.78 N +ATOM 1173 CA GLY A 175 -0.759 -25.111 -6.688 1.00 49.42 C +ATOM 1174 C GLY A 175 -0.602 -26.617 -6.452 1.00 48.90 C +ATOM 1175 O GLY A 175 0.481 -27.073 -6.079 1.00 47.76 O +ATOM 1176 N PRO A 176 -1.671 -27.400 -6.651 1.00 46.47 N +ATOM 1177 CA PRO A 176 -1.598 -28.843 -6.517 1.00 49.51 C +ATOM 1178 C PRO A 176 -0.506 -29.401 -7.436 1.00 47.39 C +ATOM 1179 O PRO A 176 -0.249 -28.841 -8.506 1.00 47.86 O +ATOM 1180 CB PRO A 176 -2.986 -29.373 -6.882 1.00 50.91 C +ATOM 1181 CG PRO A 176 -3.551 -28.285 -7.791 1.00 50.66 C +ATOM 1182 CD PRO A 176 -2.949 -27.000 -7.208 1.00 51.99 C +ATOM 1183 N ALA A 177 0.117 -30.486 -7.003 1.00 50.18 N +ATOM 1184 CA ALA A 177 1.086 -31.184 -7.843 1.00 52.44 C +ATOM 1185 C ALA A 177 0.466 -31.512 -9.209 1.00 50.85 C +ATOM 1186 O ALA A 177 -0.712 -31.859 -9.298 1.00 50.12 O +ATOM 1187 CB ALA A 177 1.586 -32.440 -7.119 1.00 51.76 C +ATOM 1188 N GLY A 178 1.264 -31.373 -10.271 1.00 48.19 N +ATOM 1189 CA GLY A 178 0.847 -31.745 -11.619 1.00 49.87 C +ATOM 1190 C GLY A 178 0.376 -33.187 -11.651 1.00 50.24 C +ATOM 1191 O GLY A 178 0.851 -34.023 -10.886 1.00 48.96 O +ATOM 1192 N LYS A 179 -0.610 -33.455 -12.497 1.00 46.87 N +ATOM 1193 CA LYS A 179 -1.048 -34.837 -12.662 1.00 50.83 C +ATOM 1194 C LYS A 179 0.117 -35.630 -13.222 1.00 50.09 C +ATOM 1195 O LYS A 179 0.692 -35.251 -14.237 1.00 49.78 O +ATOM 1196 CB LYS A 179 -2.274 -34.947 -13.574 1.00 50.59 C +ATOM 1197 CG LYS A 179 -3.532 -34.338 -12.937 1.00 47.58 C +ATOM 1198 CD LYS A 179 -4.731 -34.512 -13.877 1.00 46.07 C +ATOM 1199 CE LYS A 179 -5.970 -33.874 -13.257 1.00 43.44 C +ATOM 1200 NZ LYS A 179 -7.136 -33.941 -14.179 1.00 39.75 N +ATOM 1201 N ASP A 180 0.393 -36.713 -12.560 1.00 49.53 N +ATOM 1202 CA ASP A 180 1.331 -37.698 -13.061 1.00 52.55 C +ATOM 1203 C ASP A 180 0.961 -38.073 -14.513 1.00 51.30 C +ATOM 1204 O ASP A 180 -0.225 -38.223 -14.833 1.00 50.87 O +ATOM 1205 CB ASP A 180 1.195 -38.909 -12.153 1.00 52.39 C +ATOM 1206 CG ASP A 180 1.466 -38.754 -10.669 1.00 50.36 C +ATOM 1207 OD1 ASP A 180 2.296 -37.932 -10.289 1.00 48.73 O +ATOM 1208 OD2 ASP A 180 0.767 -39.513 -9.947 1.00 48.20 O +ATOM 1209 N GLY A 181 1.924 -38.239 -15.400 1.00 50.49 N +ATOM 1210 CA GLY A 181 1.663 -38.626 -16.798 1.00 51.52 C +ATOM 1211 C GLY A 181 1.117 -40.058 -16.930 1.00 52.00 C +ATOM 1212 O GLY A 181 0.965 -40.786 -15.951 1.00 50.23 O +ATOM 1213 N GLN A 182 0.774 -40.426 -18.132 1.00 46.71 N +ATOM 1214 CA GLN A 182 0.210 -41.755 -18.369 1.00 49.90 C +ATOM 1215 C GLN A 182 1.301 -42.834 -18.393 1.00 49.51 C +ATOM 1216 O GLN A 182 2.398 -42.587 -18.883 1.00 48.88 O +ATOM 1217 CB GLN A 182 -0.607 -41.764 -19.669 1.00 49.34 C +ATOM 1218 CG GLN A 182 -1.856 -40.875 -19.568 1.00 46.81 C +ATOM 1219 CD GLN A 182 -2.721 -40.881 -20.826 1.00 44.07 C +ATOM 1220 OE1 GLN A 182 -2.367 -41.385 -21.875 1.00 42.77 O +ATOM 1221 NE2 GLN A 182 -3.899 -40.304 -20.784 1.00 40.58 N +ATOM 1222 N ASN A 183 0.964 -44.026 -17.892 1.00 52.88 N +ATOM 1223 CA ASN A 183 1.868 -45.174 -17.951 1.00 55.47 C +ATOM 1224 C ASN A 183 2.265 -45.472 -19.403 1.00 54.30 C +ATOM 1225 O ASN A 183 1.434 -45.387 -20.316 1.00 53.08 O +ATOM 1226 CB ASN A 183 1.201 -46.412 -17.322 1.00 54.18 C +ATOM 1227 CG ASN A 183 0.954 -46.311 -15.827 1.00 50.84 C +ATOM 1228 OD1 ASN A 183 1.322 -45.366 -15.152 1.00 48.89 O +ATOM 1229 ND2 ASN A 183 0.301 -47.285 -15.241 1.00 47.83 N +ATOM 1230 N GLY A 184 3.520 -45.845 -19.601 1.00 52.51 N +ATOM 1231 CA GLY A 184 3.958 -46.369 -20.893 1.00 53.21 C +ATOM 1232 C GLY A 184 3.181 -47.625 -21.292 1.00 53.72 C +ATOM 1233 O GLY A 184 2.721 -48.382 -20.436 1.00 52.10 O +ATOM 1234 N GLN A 185 3.019 -47.823 -22.604 1.00 46.54 N +ATOM 1235 CA GLN A 185 2.406 -49.061 -23.097 1.00 49.94 C +ATOM 1236 C GLN A 185 3.360 -50.239 -22.888 1.00 49.72 C +ATOM 1237 O GLN A 185 4.569 -50.096 -23.060 1.00 48.81 O +ATOM 1238 CB GLN A 185 2.018 -48.931 -24.575 1.00 49.17 C +ATOM 1239 CG GLN A 185 0.859 -47.937 -24.784 1.00 45.91 C +ATOM 1240 CD GLN A 185 0.410 -47.823 -26.237 1.00 42.97 C +ATOM 1241 OE1 GLN A 185 0.985 -48.346 -27.175 1.00 41.37 O +ATOM 1242 NE2 GLN A 185 -0.656 -47.105 -26.495 1.00 39.29 N +ATOM 1243 N ASP A 186 2.787 -51.396 -22.572 1.00 51.55 N +ATOM 1244 CA ASP A 186 3.557 -52.629 -22.455 1.00 54.55 C +ATOM 1245 C ASP A 186 4.309 -52.928 -23.759 1.00 53.12 C +ATOM 1246 O ASP A 186 3.805 -52.733 -24.871 1.00 52.26 O +ATOM 1247 CB ASP A 186 2.641 -53.821 -22.104 1.00 54.26 C +ATOM 1248 CG ASP A 186 1.973 -53.723 -20.731 1.00 52.42 C +ATOM 1249 OD1 ASP A 186 2.531 -53.040 -19.845 1.00 50.91 O +ATOM 1250 OD2 ASP A 186 0.893 -54.333 -20.578 1.00 49.83 O +ATOM 1251 N GLY A 187 5.538 -53.403 -23.625 1.00 53.36 N +ATOM 1252 CA GLY A 187 6.319 -53.853 -24.773 1.00 54.01 C +ATOM 1253 C GLY A 187 5.637 -55.028 -25.494 1.00 54.28 C +ATOM 1254 O GLY A 187 5.027 -55.888 -24.864 1.00 52.47 O +ATOM 1255 N LEU A 188 5.773 -55.070 -26.830 1.00 47.53 N +ATOM 1256 CA LEU A 188 5.253 -56.204 -27.596 1.00 51.47 C +ATOM 1257 C LEU A 188 6.046 -57.485 -27.267 1.00 50.72 C +ATOM 1258 O LEU A 188 7.270 -57.413 -27.107 1.00 50.66 O +ATOM 1259 CB LEU A 188 5.309 -55.904 -29.105 1.00 51.41 C +ATOM 1260 CG LEU A 188 4.352 -54.796 -29.575 1.00 48.43 C +ATOM 1261 CD1 LEU A 188 4.611 -54.495 -31.051 1.00 47.07 C +ATOM 1262 CD2 LEU A 188 2.882 -55.194 -29.428 1.00 45.74 C +ATOM 1263 N PRO A 189 5.385 -58.648 -27.236 1.00 52.70 N +ATOM 1264 CA PRO A 189 6.082 -59.927 -27.069 1.00 55.44 C +ATOM 1265 C PRO A 189 7.188 -60.103 -28.112 1.00 53.15 C +ATOM 1266 O PRO A 189 7.018 -59.780 -29.288 1.00 53.20 O +ATOM 1267 CB PRO A 189 5.006 -61.008 -27.196 1.00 56.38 C +ATOM 1268 CG PRO A 189 3.715 -60.292 -26.797 1.00 53.73 C +ATOM 1269 CD PRO A 189 3.936 -58.866 -27.294 1.00 54.81 C +ATOM 1270 N GLY A 190 8.317 -60.642 -27.671 1.00 55.51 N +ATOM 1271 CA GLY A 190 9.399 -61.020 -28.582 1.00 56.51 C +ATOM 1272 C GLY A 190 8.927 -62.048 -29.621 1.00 56.77 C +ATOM 1273 O GLY A 190 8.040 -62.856 -29.353 1.00 55.08 O +ATOM 1274 N LYS A 191 9.522 -62.031 -30.827 1.00 47.75 N +ATOM 1275 CA LYS A 191 9.237 -63.040 -31.859 1.00 52.54 C +ATOM 1276 C LYS A 191 9.870 -64.373 -31.468 1.00 51.46 C +ATOM 1277 O LYS A 191 10.990 -64.386 -30.974 1.00 50.94 O +ATOM 1278 CB LYS A 191 9.735 -62.585 -33.244 1.00 52.05 C +ATOM 1279 CG LYS A 191 8.955 -61.379 -33.770 1.00 48.84 C +ATOM 1280 CD LYS A 191 9.422 -61.003 -35.177 1.00 46.57 C +ATOM 1281 CE LYS A 191 8.633 -59.788 -35.674 1.00 43.53 C +ATOM 1282 NZ LYS A 191 9.046 -59.380 -37.030 1.00 39.28 N +ATOM 1283 N ASP A 192 9.178 -65.453 -31.779 1.00 51.10 N +ATOM 1284 CA ASP A 192 9.691 -66.800 -31.578 1.00 54.15 C +ATOM 1285 C ASP A 192 11.067 -66.968 -32.251 1.00 52.11 C +ATOM 1286 O ASP A 192 11.324 -66.450 -33.345 1.00 51.24 O +ATOM 1287 CB ASP A 192 8.693 -67.851 -32.121 1.00 53.71 C +ATOM 1288 CG ASP A 192 7.336 -67.849 -31.417 1.00 51.23 C +ATOM 1289 OD1 ASP A 192 7.272 -67.423 -30.246 1.00 49.20 O +ATOM 1290 OD2 ASP A 192 6.343 -68.253 -32.073 1.00 48.05 O +ATOM 1291 N GLY A 193 11.957 -67.683 -31.575 1.00 55.04 N +ATOM 1292 CA GLY A 193 13.267 -68.022 -32.120 1.00 55.36 C +ATOM 1293 C GLY A 193 13.141 -68.874 -33.398 1.00 54.90 C +ATOM 1294 O GLY A 193 12.190 -69.628 -33.569 1.00 52.97 O +ATOM 1295 N LYS A 194 14.119 -68.739 -34.310 1.00 47.69 N +ATOM 1296 CA LYS A 194 14.168 -69.611 -35.494 1.00 51.64 C +ATOM 1297 C LYS A 194 14.576 -71.023 -35.081 1.00 50.06 C +ATOM 1298 O LYS A 194 15.492 -71.178 -34.282 1.00 49.38 O +ATOM 1299 CB LYS A 194 15.139 -69.072 -36.551 1.00 51.14 C +ATOM 1300 CG LYS A 194 14.646 -67.767 -37.203 1.00 47.57 C +ATOM 1301 CD LYS A 194 15.632 -67.340 -38.291 1.00 45.53 C +ATOM 1302 CE LYS A 194 15.167 -66.048 -38.966 1.00 41.79 C +ATOM 1303 NZ LYS A 194 16.118 -65.615 -40.019 1.00 38.43 N +ATOM 1304 N ASP A 195 13.950 -72.027 -35.708 1.00 49.42 N +ATOM 1305 CA ASP A 195 14.316 -73.428 -35.522 1.00 52.06 C +ATOM 1306 C ASP A 195 15.815 -73.644 -35.768 1.00 50.11 C +ATOM 1307 O ASP A 195 16.413 -73.084 -36.708 1.00 49.39 O +ATOM 1308 CB ASP A 195 13.483 -74.336 -36.450 1.00 51.75 C +ATOM 1309 CG ASP A 195 11.978 -74.301 -36.184 1.00 49.21 C +ATOM 1310 OD1 ASP A 195 11.590 -74.017 -35.031 1.00 47.04 O +ATOM 1311 OD2 ASP A 195 11.215 -74.541 -37.144 1.00 45.88 O +ATOM 1312 N GLY A 196 16.432 -74.450 -34.938 1.00 49.29 N +ATOM 1313 CA GLY A 196 17.835 -74.824 -35.086 1.00 49.93 C +ATOM 1314 C GLY A 196 18.081 -75.587 -36.398 1.00 49.61 C +ATOM 1315 O GLY A 196 17.239 -76.352 -36.868 1.00 48.10 O +ATOM 1316 N GLN A 197 19.259 -75.397 -37.004 1.00 43.83 N +ATOM 1317 CA GLN A 197 19.653 -76.181 -38.175 1.00 47.02 C +ATOM 1318 C GLN A 197 19.966 -77.630 -37.755 1.00 46.63 C +ATOM 1319 O GLN A 197 20.642 -77.845 -36.751 1.00 45.64 O +ATOM 1320 CB GLN A 197 20.854 -75.558 -38.888 1.00 45.91 C +ATOM 1321 CG GLN A 197 20.504 -74.234 -39.588 1.00 42.66 C +ATOM 1322 CD GLN A 197 21.668 -73.640 -40.379 1.00 39.45 C +ATOM 1323 OE1 GLN A 197 22.806 -74.061 -40.343 1.00 36.94 O +ATOM 1324 NE2 GLN A 197 21.419 -72.594 -41.145 1.00 35.99 N +ATOM 1325 N ASN A 198 19.525 -78.588 -38.563 1.00 47.38 N +ATOM 1326 CA ASN A 198 19.846 -79.994 -38.328 1.00 49.76 C +ATOM 1327 C ASN A 198 21.369 -80.202 -38.246 1.00 48.31 C +ATOM 1328 O ASN A 198 22.125 -79.695 -39.075 1.00 48.09 O +ATOM 1329 CB ASN A 198 19.240 -80.868 -39.450 1.00 49.18 C +ATOM 1330 CG ASN A 198 17.723 -80.923 -39.436 1.00 46.02 C +ATOM 1331 OD1 ASN A 198 17.062 -80.603 -38.468 1.00 43.79 O +ATOM 1332 ND2 ASN A 198 17.096 -81.333 -40.518 1.00 42.73 N +ATOM 1333 N GLY A 199 21.798 -80.938 -37.245 1.00 46.00 N +ATOM 1334 CA GLY A 199 23.197 -81.339 -37.114 1.00 46.92 C +ATOM 1335 C GLY A 199 23.651 -82.212 -38.290 1.00 46.67 C +ATOM 1336 O GLY A 199 22.847 -82.897 -38.925 1.00 45.42 O +ATOM 1337 N LYS A 200 24.974 -82.201 -38.624 1.00 42.29 N +ATOM 1338 CA LYS A 200 25.568 -83.164 -39.563 1.00 46.14 C +ATOM 1339 C LYS A 200 25.584 -84.543 -38.909 1.00 45.49 C +ATOM 1340 O LYS A 200 25.891 -84.651 -37.730 1.00 45.64 O +ATOM 1341 CB LYS A 200 26.990 -82.749 -39.969 1.00 46.52 C +ATOM 1342 CG LYS A 200 27.016 -81.482 -40.826 1.00 43.74 C +ATOM 1343 CD LYS A 200 28.452 -81.153 -41.252 1.00 41.92 C +ATOM 1344 CE LYS A 200 28.489 -79.880 -42.113 1.00 38.71 C +ATOM 1345 NZ LYS A 200 29.869 -79.523 -42.516 1.00 35.49 N +ATOM 1346 N ASP A 201 25.303 -85.584 -39.698 1.00 44.63 N +ATOM 1347 CA ASP A 201 25.285 -86.975 -39.233 1.00 47.66 C +ATOM 1348 C ASP A 201 26.563 -87.324 -38.447 1.00 46.24 C +ATOM 1349 O ASP A 201 27.682 -87.068 -38.903 1.00 46.42 O +ATOM 1350 CB ASP A 201 25.106 -87.936 -40.433 1.00 48.33 C +ATOM 1351 CG ASP A 201 23.798 -87.733 -41.214 1.00 46.49 C +ATOM 1352 OD1 ASP A 201 22.835 -87.202 -40.621 1.00 44.64 O +ATOM 1353 OD2 ASP A 201 23.786 -88.058 -42.422 1.00 43.52 O +ATOM 1354 N GLY A 202 26.399 -87.912 -37.261 1.00 45.56 N +ATOM 1355 CA GLY A 202 27.483 -88.443 -36.422 1.00 46.21 C +ATOM 1356 C GLY A 202 28.071 -87.498 -35.367 1.00 44.87 C +ATOM 1357 O GLY A 202 28.984 -87.906 -34.656 1.00 43.90 O +ATOM 1358 N LEU A 203 27.609 -86.287 -35.237 1.00 38.94 N +ATOM 1359 CA LEU A 203 27.980 -85.409 -34.112 1.00 42.27 C +ATOM 1360 C LEU A 203 26.739 -85.042 -33.291 1.00 41.01 C +ATOM 1361 O LEU A 203 25.685 -84.811 -33.876 1.00 41.29 O +ATOM 1362 CB LEU A 203 28.700 -84.148 -34.628 1.00 42.33 C +ATOM 1363 CG LEU A 203 30.099 -84.392 -35.221 1.00 39.97 C +ATOM 1364 CD1 LEU A 203 30.635 -83.105 -35.838 1.00 38.01 C +ATOM 1365 CD2 LEU A 203 31.109 -84.853 -34.161 1.00 36.92 C +ATOM 1366 N PRO A 204 26.858 -84.939 -31.926 1.00 43.63 N +ATOM 1367 CA PRO A 204 25.770 -84.427 -31.095 1.00 45.44 C +ATOM 1368 C PRO A 204 25.284 -83.075 -31.635 1.00 43.69 C +ATOM 1369 O PRO A 204 26.092 -82.235 -32.032 1.00 44.63 O +ATOM 1370 CB PRO A 204 26.339 -84.305 -29.673 1.00 45.73 C +ATOM 1371 CG PRO A 204 27.498 -85.292 -29.653 1.00 44.92 C +ATOM 1372 CD PRO A 204 28.020 -85.250 -31.074 1.00 46.27 C +ATOM 1373 N GLY A 205 23.987 -82.915 -31.652 1.00 41.34 N +ATOM 1374 CA GLY A 205 23.387 -81.639 -32.033 1.00 43.01 C +ATOM 1375 C GLY A 205 23.916 -80.514 -31.133 1.00 42.38 C +ATOM 1376 O GLY A 205 23.994 -80.677 -29.923 1.00 41.21 O +ATOM 1377 N LYS A 206 24.338 -79.409 -31.734 1.00 42.08 N +ATOM 1378 CA LYS A 206 24.687 -78.227 -30.942 1.00 46.40 C +ATOM 1379 C LYS A 206 23.403 -77.604 -30.404 1.00 45.17 C +ATOM 1380 O LYS A 206 22.429 -77.526 -31.142 1.00 45.39 O +ATOM 1381 CB LYS A 206 25.479 -77.204 -31.772 1.00 46.37 C +ATOM 1382 CG LYS A 206 26.871 -77.724 -32.150 1.00 43.75 C +ATOM 1383 CD LYS A 206 27.674 -76.643 -32.876 1.00 41.75 C +ATOM 1384 CE LYS A 206 29.067 -77.176 -33.220 1.00 38.60 C +ATOM 1385 NZ LYS A 206 29.919 -76.145 -33.855 1.00 35.59 N +ATOM 1386 N ASP A 207 23.467 -77.142 -29.168 1.00 46.13 N +ATOM 1387 CA ASP A 207 22.356 -76.419 -28.558 1.00 50.27 C +ATOM 1388 C ASP A 207 21.877 -75.296 -29.486 1.00 48.34 C +ATOM 1389 O ASP A 207 22.670 -74.627 -30.162 1.00 47.60 O +ATOM 1390 CB ASP A 207 22.769 -75.862 -27.180 1.00 49.57 C +ATOM 1391 CG ASP A 207 23.175 -76.953 -26.190 1.00 46.31 C +ATOM 1392 OD1 ASP A 207 22.656 -78.085 -26.314 1.00 43.55 O +ATOM 1393 OD2 ASP A 207 24.051 -76.668 -25.343 1.00 41.76 O +ATOM 1394 N GLY A 208 20.576 -75.123 -29.540 1.00 43.90 N +ATOM 1395 CA GLY A 208 19.982 -74.020 -30.286 1.00 45.69 C +ATOM 1396 C GLY A 208 20.504 -72.677 -29.761 1.00 45.02 C +ATOM 1397 O GLY A 208 20.708 -72.510 -28.564 1.00 43.98 O +ATOM 1398 N LYS A 209 20.774 -71.743 -30.665 1.00 45.56 N +ATOM 1399 CA LYS A 209 21.142 -70.389 -30.224 1.00 49.73 C +ATOM 1400 C LYS A 209 19.938 -69.731 -29.560 1.00 48.05 C +ATOM 1401 O LYS A 209 18.842 -69.790 -30.111 1.00 48.56 O +ATOM 1402 CB LYS A 209 21.631 -69.529 -31.393 1.00 49.90 C +ATOM 1403 CG LYS A 209 22.992 -69.983 -31.932 1.00 47.05 C +ATOM 1404 CD LYS A 209 23.453 -69.012 -33.023 1.00 45.47 C +ATOM 1405 CE LYS A 209 24.823 -69.406 -33.568 1.00 42.46 C +ATOM 1406 NZ LYS A 209 25.295 -68.438 -34.583 1.00 39.10 N +ATOM 1407 N ASP A 210 20.190 -69.082 -28.432 1.00 48.71 N +ATOM 1408 CA ASP A 210 19.171 -68.279 -27.769 1.00 52.57 C +ATOM 1409 C ASP A 210 18.526 -67.298 -28.759 1.00 50.73 C +ATOM 1410 O ASP A 210 19.189 -66.700 -29.613 1.00 49.42 O +ATOM 1411 CB ASP A 210 19.767 -67.513 -26.578 1.00 51.74 C +ATOM 1412 CG ASP A 210 20.300 -68.424 -25.470 1.00 48.39 C +ATOM 1413 OD1 ASP A 210 19.758 -69.541 -25.326 1.00 45.63 O +ATOM 1414 OD2 ASP A 210 21.272 -68.006 -24.800 1.00 43.72 O +ATOM 1415 N GLY A 211 17.216 -67.158 -28.661 1.00 47.26 N +ATOM 1416 CA GLY A 211 16.496 -66.161 -29.436 1.00 49.23 C +ATOM 1417 C GLY A 211 17.026 -64.759 -29.116 1.00 49.31 C +ATOM 1418 O GLY A 211 17.320 -64.436 -27.972 1.00 48.18 O +ATOM 1419 N GLN A 212 17.179 -63.931 -30.150 1.00 43.33 N +ATOM 1420 CA GLN A 212 17.527 -62.539 -29.907 1.00 48.02 C +ATOM 1421 C GLN A 212 16.377 -61.838 -29.184 1.00 47.32 C +ATOM 1422 O GLN A 212 15.226 -61.955 -29.607 1.00 47.04 O +ATOM 1423 CB GLN A 212 17.875 -61.804 -31.211 1.00 48.28 C +ATOM 1424 CG GLN A 212 19.217 -62.275 -31.798 1.00 45.58 C +ATOM 1425 CD GLN A 212 19.635 -61.517 -33.062 1.00 42.32 C +ATOM 1426 OE1 GLN A 212 18.904 -60.766 -33.686 1.00 40.97 O +ATOM 1427 NE2 GLN A 212 20.850 -61.709 -33.520 1.00 38.83 N +ATOM 1428 N ASN A 213 16.708 -61.095 -28.132 1.00 51.88 N +ATOM 1429 CA ASN A 213 15.729 -60.263 -27.441 1.00 56.19 C +ATOM 1430 C ASN A 213 15.032 -59.338 -28.452 1.00 53.71 C +ATOM 1431 O ASN A 213 15.657 -58.802 -29.370 1.00 52.34 O +ATOM 1432 CB ASN A 213 16.421 -59.459 -26.321 1.00 54.79 C +ATOM 1433 CG ASN A 213 16.953 -60.318 -25.182 1.00 51.25 C +ATOM 1434 OD1 ASN A 213 16.580 -61.470 -25.011 1.00 49.16 O +ATOM 1435 ND2 ASN A 213 17.838 -59.804 -24.368 1.00 46.71 N +ATOM 1436 N GLY A 214 13.740 -59.182 -28.296 1.00 48.90 N +ATOM 1437 CA GLY A 214 13.005 -58.151 -29.024 1.00 50.53 C +ATOM 1438 C GLY A 214 13.613 -56.772 -28.753 1.00 49.95 C +ATOM 1439 O GLY A 214 14.164 -56.532 -27.685 1.00 48.75 O +ATOM 1440 N LYS A 215 13.548 -55.878 -29.742 1.00 46.58 N +ATOM 1441 CA LYS A 215 13.991 -54.495 -29.513 1.00 52.13 C +ATOM 1442 C LYS A 215 13.134 -53.874 -28.414 1.00 50.07 C +ATOM 1443 O LYS A 215 11.917 -54.027 -28.451 1.00 50.50 O +ATOM 1444 CB LYS A 215 13.903 -53.656 -30.791 1.00 52.91 C +ATOM 1445 CG LYS A 215 14.916 -54.091 -31.850 1.00 50.74 C +ATOM 1446 CD LYS A 215 14.849 -53.153 -33.062 1.00 48.94 C +ATOM 1447 CE LYS A 215 15.864 -53.565 -34.110 1.00 46.55 C +ATOM 1448 NZ LYS A 215 15.870 -52.635 -35.265 1.00 41.61 N +ATOM 1449 N ASP A 216 13.793 -53.158 -27.499 1.00 51.82 N +ATOM 1450 CA ASP A 216 13.100 -52.413 -26.457 1.00 56.37 C +ATOM 1451 C ASP A 216 12.015 -51.517 -27.069 1.00 54.31 C +ATOM 1452 O ASP A 216 12.199 -50.901 -28.128 1.00 52.28 O +ATOM 1453 CB ASP A 216 14.097 -51.587 -25.631 1.00 55.45 C +ATOM 1454 CG ASP A 216 15.162 -52.440 -24.932 1.00 52.87 C +ATOM 1455 OD1 ASP A 216 14.850 -53.604 -24.596 1.00 50.12 O +ATOM 1456 OD2 ASP A 216 16.294 -51.943 -24.796 1.00 48.37 O +ATOM 1457 N GLY A 217 10.877 -51.480 -26.416 1.00 48.55 N +ATOM 1458 CA GLY A 217 9.839 -50.514 -26.755 1.00 50.11 C +ATOM 1459 C GLY A 217 10.364 -49.085 -26.601 1.00 49.19 C +ATOM 1460 O GLY A 217 11.226 -48.815 -25.772 1.00 47.77 O +ATOM 1461 N LEU A 218 9.859 -48.178 -27.434 1.00 46.02 N +ATOM 1462 CA LEU A 218 10.209 -46.767 -27.272 1.00 51.07 C +ATOM 1463 C LEU A 218 9.773 -46.274 -25.877 1.00 49.60 C +ATOM 1464 O LEU A 218 8.681 -46.639 -25.441 1.00 50.11 O +ATOM 1465 CB LEU A 218 9.555 -45.919 -28.378 1.00 51.27 C +ATOM 1466 CG LEU A 218 10.120 -46.170 -29.794 1.00 48.14 C +ATOM 1467 CD1 LEU A 218 9.277 -45.422 -30.822 1.00 46.53 C +ATOM 1468 CD2 LEU A 218 11.568 -45.704 -29.933 1.00 45.46 C +ATOM 1469 N PRO A 219 10.583 -45.435 -25.199 1.00 51.74 N +ATOM 1470 CA PRO A 219 10.206 -44.848 -23.918 1.00 55.24 C +ATOM 1471 C PRO A 219 8.841 -44.156 -24.016 1.00 53.16 C +ATOM 1472 O PRO A 219 8.565 -43.432 -24.977 1.00 53.40 O +ATOM 1473 CB PRO A 219 11.319 -43.863 -23.551 1.00 55.80 C +ATOM 1474 CG PRO A 219 12.538 -44.395 -24.308 1.00 52.86 C +ATOM 1475 CD PRO A 219 11.938 -44.990 -25.576 1.00 54.27 C +ATOM 1476 N GLY A 220 7.994 -44.400 -23.014 1.00 50.72 N +ATOM 1477 CA GLY A 220 6.749 -43.650 -22.863 1.00 53.44 C +ATOM 1478 C GLY A 220 7.025 -42.170 -22.584 1.00 53.08 C +ATOM 1479 O GLY A 220 8.086 -41.813 -22.076 1.00 51.95 O +ATOM 1480 N LYS A 221 6.084 -41.303 -22.946 1.00 47.27 N +ATOM 1481 CA LYS A 221 6.178 -39.882 -22.590 1.00 52.12 C +ATOM 1482 C LYS A 221 5.939 -39.702 -21.082 1.00 50.95 C +ATOM 1483 O LYS A 221 5.129 -40.416 -20.506 1.00 50.50 O +ATOM 1484 CB LYS A 221 5.180 -39.040 -23.396 1.00 51.85 C +ATOM 1485 CG LYS A 221 5.530 -38.978 -24.887 1.00 49.16 C +ATOM 1486 CD LYS A 221 4.549 -38.064 -25.615 1.00 47.19 C +ATOM 1487 CE LYS A 221 4.883 -37.972 -27.103 1.00 44.51 C +ATOM 1488 NZ LYS A 221 3.947 -37.082 -27.819 1.00 40.19 N +ATOM 1489 N ASP A 222 6.642 -38.745 -20.509 1.00 52.61 N +ATOM 1490 CA ASP A 222 6.800 -38.512 -19.072 1.00 56.57 C +ATOM 1491 C ASP A 222 5.497 -38.555 -18.262 1.00 55.00 C +ATOM 1492 O ASP A 222 4.506 -37.909 -18.613 1.00 53.49 O +ATOM 1493 CB ASP A 222 7.513 -37.166 -18.867 1.00 55.61 C +ATOM 1494 CG ASP A 222 8.881 -37.074 -19.570 1.00 52.56 C +ATOM 1495 OD1 ASP A 222 9.444 -38.141 -19.896 1.00 50.46 O +ATOM 1496 OD2 ASP A 222 9.334 -35.942 -19.825 1.00 49.16 O +ATOM 1497 N GLY A 223 5.527 -39.302 -17.165 1.00 53.44 N +ATOM 1498 CA GLY A 223 4.627 -39.248 -15.998 1.00 54.49 C +ATOM 1499 C GLY A 223 4.244 -40.608 -15.400 1.00 53.83 C +ATOM 1500 O GLY A 223 4.452 -41.616 -16.044 1.00 51.72 O +ATOM 1501 N LYS A 224 3.677 -40.588 -14.203 1.00 50.67 N +ATOM 1502 CA LYS A 224 3.441 -41.606 -13.141 1.00 54.34 C +ATOM 1503 C LYS A 224 4.550 -42.639 -12.953 1.00 53.48 C +ATOM 1504 O LYS A 224 4.996 -43.258 -13.901 1.00 52.30 O +ATOM 1505 CB LYS A 224 2.099 -42.373 -13.181 1.00 53.37 C +ATOM 1506 CG LYS A 224 0.876 -41.492 -13.258 1.00 49.78 C +ATOM 1507 CD LYS A 224 -0.445 -42.115 -12.817 1.00 48.44 C +ATOM 1508 CE LYS A 224 -1.521 -41.037 -12.972 1.00 45.38 C +ATOM 1509 NZ LYS A 224 -2.822 -41.389 -12.386 1.00 41.78 N +ATOM 1510 N ASP A 225 4.905 -42.932 -11.674 1.00 55.62 N +ATOM 1511 CA ASP A 225 5.691 -44.129 -11.405 1.00 58.67 C +ATOM 1512 C ASP A 225 4.947 -45.338 -11.981 1.00 57.71 C +ATOM 1513 O ASP A 225 3.832 -45.664 -11.559 1.00 55.69 O +ATOM 1514 CB ASP A 225 5.971 -44.284 -9.905 1.00 57.48 C +ATOM 1515 CG ASP A 225 6.944 -43.244 -9.352 1.00 53.94 C +ATOM 1516 OD1 ASP A 225 7.819 -42.789 -10.123 1.00 51.91 O +ATOM 1517 OD2 ASP A 225 6.833 -42.924 -8.150 1.00 51.07 O +ATOM 1518 N GLY A 226 5.519 -45.962 -13.005 1.00 55.18 N +ATOM 1519 CA GLY A 226 4.951 -47.157 -13.607 1.00 55.74 C +ATOM 1520 C GLY A 226 4.950 -48.294 -12.592 1.00 56.23 C +ATOM 1521 O GLY A 226 5.909 -48.476 -11.851 1.00 54.10 O +ATOM 1522 N GLN A 227 3.874 -49.042 -12.570 1.00 51.74 N +ATOM 1523 CA GLN A 227 3.887 -50.302 -11.829 1.00 55.01 C +ATOM 1524 C GLN A 227 4.887 -51.255 -12.472 1.00 54.92 C +ATOM 1525 O GLN A 227 5.046 -51.257 -13.690 1.00 53.28 O +ATOM 1526 CB GLN A 227 2.479 -50.915 -11.788 1.00 53.68 C +ATOM 1527 CG GLN A 227 1.517 -50.078 -10.931 1.00 50.41 C +ATOM 1528 CD GLN A 227 0.116 -50.667 -10.816 1.00 47.56 C +ATOM 1529 OE1 GLN A 227 -0.304 -51.567 -11.525 1.00 46.05 O +ATOM 1530 NE2 GLN A 227 -0.690 -50.155 -9.920 1.00 43.37 N +ATOM 1531 N ASP A 228 5.524 -52.080 -11.638 1.00 57.88 N +ATOM 1532 CA ASP A 228 6.386 -53.143 -12.141 1.00 62.06 C +ATOM 1533 C ASP A 228 5.650 -53.975 -13.190 1.00 61.03 C +ATOM 1534 O ASP A 228 4.503 -54.408 -12.986 1.00 58.80 O +ATOM 1535 CB ASP A 228 6.852 -54.054 -10.991 1.00 61.13 C +ATOM 1536 CG ASP A 228 7.857 -53.403 -10.043 1.00 58.07 C +ATOM 1537 OD1 ASP A 228 8.629 -52.536 -10.509 1.00 56.58 O +ATOM 1538 OD2 ASP A 228 7.891 -53.838 -8.871 1.00 55.13 O +ATOM 1539 N GLY A 229 6.298 -54.191 -14.324 1.00 59.51 N +ATOM 1540 CA GLY A 229 5.752 -55.071 -15.365 1.00 60.56 C +ATOM 1541 C GLY A 229 5.541 -56.479 -14.816 1.00 60.93 C +ATOM 1542 O GLY A 229 6.350 -56.992 -14.044 1.00 58.79 O +ATOM 1543 N LYS A 230 4.456 -57.104 -15.228 1.00 54.47 N +ATOM 1544 CA LYS A 230 4.234 -58.512 -14.873 1.00 60.14 C +ATOM 1545 C LYS A 230 5.313 -59.374 -15.520 1.00 60.15 C +ATOM 1546 O LYS A 230 5.733 -59.108 -16.648 1.00 58.93 O +ATOM 1547 CB LYS A 230 2.837 -58.979 -15.295 1.00 58.79 C +ATOM 1548 CG LYS A 230 1.737 -58.304 -14.473 1.00 55.19 C +ATOM 1549 CD LYS A 230 0.354 -58.814 -14.895 1.00 53.46 C +ATOM 1550 CE LYS A 230 -0.730 -58.108 -14.090 1.00 49.97 C +ATOM 1551 NZ LYS A 230 -2.083 -58.509 -14.533 1.00 44.63 N +ATOM 1552 N ASP A 231 5.700 -60.416 -14.802 1.00 60.30 N +ATOM 1553 CA ASP A 231 6.613 -61.407 -15.357 1.00 64.87 C +ATOM 1554 C ASP A 231 6.096 -61.931 -16.702 1.00 63.12 C +ATOM 1555 O ASP A 231 4.915 -62.266 -16.846 1.00 59.60 O +ATOM 1556 CB ASP A 231 6.799 -62.566 -14.371 1.00 63.35 C +ATOM 1557 CG ASP A 231 7.637 -62.225 -13.142 1.00 61.02 C +ATOM 1558 OD1 ASP A 231 8.463 -61.282 -13.230 1.00 58.57 O +ATOM 1559 OD2 ASP A 231 7.561 -62.962 -12.149 1.00 56.70 O +ATOM 1560 N GLY A 232 6.985 -62.021 -17.683 1.00 63.88 N +ATOM 1561 CA GLY A 232 6.663 -62.624 -18.971 1.00 64.72 C +ATOM 1562 C GLY A 232 6.247 -64.093 -18.810 1.00 65.25 C +ATOM 1563 O GLY A 232 6.777 -64.807 -17.962 1.00 62.52 O +ATOM 1564 N LEU A 233 5.321 -64.522 -19.638 1.00 57.61 N +ATOM 1565 CA LEU A 233 4.941 -65.932 -19.650 1.00 62.37 C +ATOM 1566 C LEU A 233 6.132 -66.793 -20.094 1.00 61.90 C +ATOM 1567 O LEU A 233 6.883 -66.363 -20.972 1.00 61.05 O +ATOM 1568 CB LEU A 233 3.722 -66.150 -20.565 1.00 61.44 C +ATOM 1569 CG LEU A 233 2.416 -65.515 -20.060 1.00 57.96 C +ATOM 1570 CD1 LEU A 233 1.329 -65.653 -21.132 1.00 55.53 C +ATOM 1571 CD2 LEU A 233 1.898 -66.173 -18.786 1.00 54.29 C +ATOM 1572 N PRO A 234 6.264 -67.996 -19.537 1.00 63.70 N +ATOM 1573 CA PRO A 234 7.274 -68.936 -20.005 1.00 67.72 C +ATOM 1574 C PRO A 234 7.167 -69.160 -21.519 1.00 65.36 C +ATOM 1575 O PRO A 234 6.068 -69.275 -22.062 1.00 62.94 O +ATOM 1576 CB PRO A 234 7.032 -70.239 -19.227 1.00 67.44 C +ATOM 1577 CG PRO A 234 6.327 -69.765 -17.957 1.00 63.96 C +ATOM 1578 CD PRO A 234 5.504 -68.571 -18.420 1.00 65.72 C +ATOM 1579 N GLY A 235 8.301 -69.231 -22.177 1.00 68.24 N +ATOM 1580 CA GLY A 235 8.349 -69.624 -23.586 1.00 70.52 C +ATOM 1581 C GLY A 235 7.772 -71.028 -23.786 1.00 70.65 C +ATOM 1582 O GLY A 235 7.849 -71.871 -22.896 1.00 68.72 O +ATOM 1583 N LYS A 236 7.184 -71.274 -24.954 1.00 64.05 N +ATOM 1584 CA LYS A 236 6.713 -72.624 -25.296 1.00 69.44 C +ATOM 1585 C LYS A 236 7.913 -73.541 -25.506 1.00 69.28 C +ATOM 1586 O LYS A 236 8.899 -73.125 -26.113 1.00 67.38 O +ATOM 1587 CB LYS A 236 5.822 -72.605 -26.542 1.00 66.56 C +ATOM 1588 CG LYS A 236 4.492 -71.880 -26.296 1.00 62.34 C +ATOM 1589 CD LYS A 236 3.629 -71.904 -27.561 1.00 58.99 C +ATOM 1590 CE LYS A 236 2.326 -71.146 -27.317 1.00 55.73 C +ATOM 1591 NZ LYS A 236 1.518 -71.046 -28.541 1.00 49.25 N +ATOM 1592 N ASP A 237 7.776 -74.780 -25.060 1.00 67.94 N +ATOM 1593 CA ASP A 237 8.789 -75.802 -25.299 1.00 71.39 C +ATOM 1594 C ASP A 237 9.061 -75.951 -26.803 1.00 69.51 C +ATOM 1595 O ASP A 237 8.147 -75.903 -27.640 1.00 65.20 O +ATOM 1596 CB ASP A 237 8.353 -77.144 -24.688 1.00 68.91 C +ATOM 1597 CG ASP A 237 8.195 -77.093 -23.169 1.00 65.40 C +ATOM 1598 OD1 ASP A 237 8.904 -76.284 -22.526 1.00 62.22 O +ATOM 1599 OD2 ASP A 237 7.342 -77.843 -22.657 1.00 60.18 O +ATOM 1600 N GLY A 238 10.326 -76.109 -27.143 1.00 72.10 N +ATOM 1601 CA GLY A 238 10.726 -76.405 -28.518 1.00 72.78 C +ATOM 1602 C GLY A 238 10.139 -77.735 -28.996 1.00 72.34 C +ATOM 1603 O GLY A 238 9.931 -78.652 -28.208 1.00 70.13 O +ATOM 1604 N LYS A 239 9.880 -77.852 -30.307 1.00 68.47 N +ATOM 1605 CA LYS A 239 9.445 -79.133 -30.884 1.00 72.71 C +ATOM 1606 C LYS A 239 10.596 -80.126 -30.850 1.00 72.57 C +ATOM 1607 O LYS A 239 11.729 -79.764 -31.151 1.00 71.04 O +ATOM 1608 CB LYS A 239 8.937 -78.954 -32.318 1.00 69.48 C +ATOM 1609 CG LYS A 239 7.630 -78.156 -32.381 1.00 64.74 C +ATOM 1610 CD LYS A 239 7.183 -78.021 -33.834 1.00 61.86 C +ATOM 1611 CE LYS A 239 5.910 -77.188 -33.938 1.00 57.62 C +ATOM 1612 NZ LYS A 239 5.543 -76.918 -35.343 1.00 51.45 N +ATOM 1613 N ASP A 240 10.271 -81.368 -30.551 1.00 71.72 N +ATOM 1614 CA ASP A 240 11.246 -82.449 -30.585 1.00 73.75 C +ATOM 1615 C ASP A 240 11.935 -82.528 -31.952 1.00 72.20 C +ATOM 1616 O ASP A 240 11.301 -82.392 -33.009 1.00 67.53 O +ATOM 1617 CB ASP A 240 10.583 -83.793 -30.255 1.00 70.93 C +ATOM 1618 CG ASP A 240 10.030 -83.877 -28.833 1.00 67.70 C +ATOM 1619 OD1 ASP A 240 10.583 -83.190 -27.949 1.00 64.06 O +ATOM 1620 OD2 ASP A 240 9.050 -84.629 -28.649 1.00 61.68 O +ATOM 1621 N GLY A 241 13.235 -82.755 -31.928 1.00 73.45 N +ATOM 1622 CA GLY A 241 14.008 -82.976 -33.150 1.00 73.52 C +ATOM 1623 C GLY A 241 13.552 -84.243 -33.881 1.00 73.15 C +ATOM 1624 O GLY A 241 13.174 -85.233 -33.263 1.00 70.92 O +ATOM 1625 N LEU A 242 13.628 -84.237 -35.223 1.00 67.64 N +ATOM 1626 CA LEU A 242 13.342 -85.430 -36.005 1.00 70.87 C +ATOM 1627 C LEU A 242 14.411 -86.514 -35.737 1.00 70.44 C +ATOM 1628 O LEU A 242 15.584 -86.175 -35.599 1.00 69.08 O +ATOM 1629 CB LEU A 242 13.272 -85.094 -37.510 1.00 68.81 C +ATOM 1630 CG LEU A 242 12.083 -84.208 -37.908 1.00 64.44 C +ATOM 1631 CD1 LEU A 242 12.211 -83.802 -39.375 1.00 60.92 C +ATOM 1632 CD2 LEU A 242 10.739 -84.923 -37.748 1.00 60.03 C +ATOM 1633 N PRO A 243 14.017 -87.801 -35.745 1.00 70.42 N +ATOM 1634 CA PRO A 243 14.976 -88.896 -35.593 1.00 72.43 C +ATOM 1635 C PRO A 243 16.089 -88.816 -36.646 1.00 70.95 C +ATOM 1636 O PRO A 243 15.835 -88.536 -37.820 1.00 68.30 O +ATOM 1637 CB PRO A 243 14.165 -90.188 -35.718 1.00 71.17 C +ATOM 1638 CG PRO A 243 12.752 -89.769 -35.310 1.00 67.90 C +ATOM 1639 CD PRO A 243 12.655 -88.327 -35.796 1.00 69.88 C +ATOM 1640 N GLY A 244 17.301 -89.080 -36.217 1.00 73.21 N +ATOM 1641 CA GLY A 244 18.430 -89.195 -37.135 1.00 73.34 C +ATOM 1642 C GLY A 244 18.211 -90.307 -38.168 1.00 72.97 C +ATOM 1643 O GLY A 244 17.546 -91.303 -37.884 1.00 71.23 O +ATOM 1644 N LYS A 245 18.787 -90.161 -39.386 1.00 69.25 N +ATOM 1645 CA LYS A 245 18.759 -91.228 -40.400 1.00 72.82 C +ATOM 1646 C LYS A 245 19.696 -92.351 -39.989 1.00 72.65 C +ATOM 1647 O LYS A 245 20.782 -92.095 -39.477 1.00 70.98 O +ATOM 1648 CB LYS A 245 19.138 -90.688 -41.783 1.00 69.31 C +ATOM 1649 CG LYS A 245 18.082 -89.724 -42.339 1.00 64.15 C +ATOM 1650 CD LYS A 245 18.469 -89.250 -43.736 1.00 61.23 C +ATOM 1651 CE LYS A 245 17.421 -88.277 -44.262 1.00 57.29 C +ATOM 1652 NZ LYS A 245 17.782 -87.745 -45.594 1.00 51.08 N +ATOM 1653 N ASP A 246 19.288 -93.586 -40.285 1.00 67.74 N +ATOM 1654 CA ASP A 246 20.113 -94.757 -40.025 1.00 69.55 C +ATOM 1655 C ASP A 246 21.493 -94.623 -40.686 1.00 66.93 C +ATOM 1656 O ASP A 246 21.621 -94.172 -41.825 1.00 62.59 O +ATOM 1657 CB ASP A 246 19.412 -96.027 -40.538 1.00 66.99 C +ATOM 1658 CG ASP A 246 18.126 -96.369 -39.792 1.00 62.93 C +ATOM 1659 OD1 ASP A 246 18.033 -96.049 -38.594 1.00 60.07 O +ATOM 1660 OD2 ASP A 246 17.249 -96.995 -40.408 1.00 58.18 O +ATOM 1661 N GLY A 247 22.518 -95.057 -39.986 1.00 69.42 N +ATOM 1662 CA GLY A 247 23.871 -95.133 -40.533 1.00 69.69 C +ATOM 1663 C GLY A 247 23.931 -96.084 -41.736 1.00 69.02 C +ATOM 1664 O GLY A 247 23.215 -97.078 -41.805 1.00 66.28 O +ATOM 1665 N LYS A 248 24.815 -95.780 -42.723 1.00 65.58 N +ATOM 1666 CA LYS A 248 25.025 -96.678 -43.868 1.00 70.02 C +ATOM 1667 C LYS A 248 25.705 -97.967 -43.409 1.00 69.77 C +ATOM 1668 O LYS A 248 26.635 -97.926 -42.616 1.00 67.30 O +ATOM 1669 CB LYS A 248 25.868 -96.005 -44.958 1.00 66.31 C +ATOM 1670 CG LYS A 248 25.126 -94.856 -45.641 1.00 60.25 C +ATOM 1671 CD LYS A 248 25.976 -94.249 -46.758 1.00 56.87 C +ATOM 1672 CE LYS A 248 25.238 -93.098 -47.428 1.00 53.89 C +ATOM 1673 NZ LYS A 248 26.056 -92.458 -48.473 1.00 48.44 N +ATOM 1674 N ASP A 249 25.272 -99.088 -43.996 1.00 63.40 N +ATOM 1675 CA ASP A 249 25.878-100.394 -43.731 1.00 66.38 C +ATOM 1676 C ASP A 249 27.394-100.356 -43.966 1.00 63.20 C +ATOM 1677 O ASP A 249 27.895 -99.765 -44.927 1.00 59.45 O +ATOM 1678 CB ASP A 249 25.240-101.474 -44.608 1.00 64.83 C +ATOM 1679 CG ASP A 249 23.757-101.699 -44.330 1.00 60.74 C +ATOM 1680 OD1 ASP A 249 23.338-101.468 -43.179 1.00 57.69 O +ATOM 1681 OD2 ASP A 249 23.056-102.093 -45.285 1.00 56.10 O +ATOM 1682 N GLY A 250 28.141-101.037 -43.092 1.00 64.28 N +ATOM 1683 CA GLY A 250 29.582-101.199 -43.232 1.00 64.43 C +ATOM 1684 C GLY A 250 29.948-101.951 -44.524 1.00 64.20 C +ATOM 1685 O GLY A 250 29.242-102.866 -44.942 1.00 61.44 O +ATOM 1686 N GLN A 251 31.081-101.599 -45.179 1.00 57.70 N +ATOM 1687 CA GLN A 251 31.544-102.312 -46.375 1.00 61.60 C +ATOM 1688 C GLN A 251 31.939-103.752 -46.034 1.00 60.64 C +ATOM 1689 O GLN A 251 32.566-103.986 -45.000 1.00 59.14 O +ATOM 1690 CB GLN A 251 32.720-101.592 -47.038 1.00 59.94 C +ATOM 1691 CG GLN A 251 32.297-100.278 -47.707 1.00 55.98 C +ATOM 1692 CD GLN A 251 33.404 -99.634 -48.545 1.00 52.24 C +ATOM 1693 OE1 GLN A 251 34.552-100.024 -48.567 1.00 51.18 O +ATOM 1694 NE2 GLN A 251 33.085 -98.591 -49.290 1.00 47.38 N +ATOM 1695 N PRO A 252 31.656-104.703 -46.911 1.00 61.01 N +ATOM 1696 CA PRO A 252 32.032-106.097 -46.687 1.00 63.55 C +ATOM 1697 C PRO A 252 33.549-106.246 -46.476 1.00 60.53 C +ATOM 1698 O PRO A 252 34.357-105.631 -47.183 1.00 58.66 O +ATOM 1699 CB PRO A 252 31.571-106.867 -47.923 1.00 63.42 C +ATOM 1700 CG PRO A 252 30.447-106.001 -48.490 1.00 58.92 C +ATOM 1701 CD PRO A 252 30.871-104.583 -48.131 1.00 59.31 C +ATOM 1702 N GLY A 253 33.929-107.088 -45.553 1.00 59.82 N +ATOM 1703 CA GLY A 253 35.329-107.429 -45.314 1.00 61.04 C +ATOM 1704 C GLY A 253 35.990-108.041 -46.555 1.00 60.47 C +ATOM 1705 O GLY A 253 35.375-108.804 -47.292 1.00 58.37 O +ATOM 1706 N LYS A 254 37.271-107.725 -46.818 1.00 56.38 N +ATOM 1707 CA LYS A 254 38.028-108.313 -47.937 1.00 61.93 C +ATOM 1708 C LYS A 254 38.223-109.817 -47.712 1.00 59.73 C +ATOM 1709 O LYS A 254 38.532-110.210 -46.595 1.00 59.40 O +ATOM 1710 CB LYS A 254 39.392-107.627 -48.109 1.00 60.77 C +ATOM 1711 CG LYS A 254 39.265-106.194 -48.624 1.00 56.74 C +ATOM 1712 CD LYS A 254 40.638-105.553 -48.841 1.00 54.67 C +ATOM 1713 CE LYS A 254 40.482-104.113 -49.359 1.00 51.75 C +ATOM 1714 NZ LYS A 254 41.775-103.418 -49.519 1.00 46.31 N +ATOM 1715 N PRO A 255 38.120-110.667 -48.768 1.00 58.56 N +ATOM 1716 CA PRO A 255 38.350-112.100 -48.638 1.00 61.45 C +ATOM 1717 C PRO A 255 39.759-112.395 -48.121 1.00 57.81 C +ATOM 1718 O PRO A 255 40.732-111.785 -48.567 1.00 55.88 O +ATOM 1719 CB PRO A 255 38.141-112.694 -50.040 1.00 61.79 C +ATOM 1720 CG PRO A 255 37.330-111.630 -50.775 1.00 58.35 C +ATOM 1721 CD PRO A 255 37.749-110.327 -50.133 1.00 59.20 C +ATOM 1722 N GLY A 256 39.831-113.336 -47.238 1.00 58.22 N +ATOM 1723 CA GLY A 256 41.116-113.823 -46.757 1.00 59.62 C +ATOM 1724 C GLY A 256 41.928-114.451 -47.899 1.00 56.37 C +ATOM 1725 O GLY A 256 41.387-115.181 -48.720 1.00 53.65 O +ATOM 1726 N LYS A 257 43.250-114.177 -48.001 1.00 56.69 N +ATOM 1727 CA LYS A 257 44.179-114.865 -48.907 1.00 62.16 C +ATOM 1728 C LYS A 257 44.554-116.201 -48.286 1.00 56.73 C +ATOM 1729 O LYS A 257 44.997-116.221 -47.143 1.00 54.50 O +ATOM 1730 CB LYS A 257 45.439-114.027 -49.163 1.00 61.07 C +ATOM 1731 CG LYS A 257 45.173-112.797 -50.033 1.00 55.53 C +ATOM 1732 CD LYS A 257 46.502-112.064 -50.325 1.00 52.98 C +ATOM 1733 CE LYS A 257 46.281-110.867 -51.253 1.00 50.81 C +ATOM 1734 NZ LYS A 257 47.556-110.190 -51.585 1.00 45.16 N +ATOM 1735 N TYR A 258 44.360-117.268 -49.083 1.00 61.79 N +ATOM 1736 CA TYR A 258 44.996-118.556 -48.840 1.00 62.81 C +ATOM 1737 C TYR A 258 46.352-118.590 -49.536 1.00 53.64 C +ATOM 1738 O TYR A 258 46.462-118.011 -50.638 1.00 48.56 O +ATOM 1739 CB TYR A 258 44.095-119.700 -49.325 1.00 57.67 C +ATOM 1740 CG TYR A 258 42.990-120.078 -48.347 1.00 51.81 C +ATOM 1741 CD1 TYR A 258 43.279-120.962 -47.294 1.00 47.84 C +ATOM 1742 CD2 TYR A 258 41.684-119.560 -48.487 1.00 47.29 C +ATOM 1743 CE1 TYR A 258 42.282-121.327 -46.381 1.00 43.80 C +ATOM 1744 CE2 TYR A 258 40.683-119.915 -47.573 1.00 51.92 C +ATOM 1745 CZ TYR A 258 40.975-120.806 -46.525 1.00 46.18 C +ATOM 1746 OH TYR A 258 40.016-121.156 -45.645 1.00 48.20 O +ATOM 1747 OXT TYR A 258 47.249-119.208 -48.899 1.00 46.27 O +TER 1748 TYR A 258 +END diff --git a/protein_pdb_217.txt b/protein_pdb_217.txt new file mode 100644 index 0000000000000000000000000000000000000000..107bb32c0f992353ce7e63aac114bcc28d7304e1 --- /dev/null +++ b/protein_pdb_217.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 7.299 -0.313 -6.940 1.00 82.71 N +ATOM 2 CA GLY A 1 5.911 -0.293 -7.362 1.00 84.24 C +ATOM 3 C GLY A 1 5.149 0.809 -6.665 1.00 84.73 C +ATOM 4 O GLY A 1 5.712 1.535 -5.845 1.00 80.82 O +ATOM 5 N PRO A 2 3.843 0.945 -6.961 1.00 82.61 N +ATOM 6 CA PRO A 2 3.036 1.992 -6.348 1.00 84.39 C +ATOM 7 C PRO A 2 2.791 1.742 -4.875 1.00 84.73 C +ATOM 8 O PRO A 2 2.940 0.628 -4.388 1.00 81.94 O +ATOM 9 CB PRO A 2 1.735 1.940 -7.149 1.00 80.62 C +ATOM 10 CG PRO A 2 1.655 0.540 -7.631 1.00 75.61 C +ATOM 11 CD PRO A 2 3.074 0.137 -7.897 1.00 75.69 C +HETATM 12 N HYP A 3 2.437 2.766 -4.179 1.00 84.97 N +HETATM 13 CA HYP A 3 2.074 2.656 -2.761 1.00 86.65 C +HETATM 14 C HYP A 3 0.929 1.683 -2.546 1.00 87.25 C +HETATM 15 O HYP A 3 0.087 1.476 -3.472 1.00 86.76 O +HETATM 16 CB HYP A 3 1.629 4.138 -2.485 1.00 84.19 C +HETATM 17 CG HYP A 3 2.381 4.983 -3.505 1.00 81.86 C +HETATM 18 CD HYP A 3 2.337 4.104 -4.754 1.00 85.34 C +HETATM 19 OD1 HYP A 3 3.708 5.169 -3.113 1.00 83.76 O +ATOM 20 N GLY A 4 0.902 1.033 -1.460 1.00 88.00 N +ATOM 21 CA GLY A 4 -0.139 0.086 -1.168 1.00 86.55 C +ATOM 22 C GLY A 4 -1.478 0.775 -1.004 1.00 85.94 C +ATOM 23 O GLY A 4 -1.566 2.002 -1.008 1.00 84.73 O +ATOM 24 N PRO A 5 -2.533 -0.018 -0.851 1.00 89.40 N +ATOM 25 CA PRO A 5 -3.873 0.535 -0.711 1.00 88.68 C +ATOM 26 C PRO A 5 -4.088 1.183 0.642 1.00 88.61 C +ATOM 27 O PRO A 5 -3.353 0.934 1.594 1.00 86.36 O +ATOM 28 CB PRO A 5 -4.770 -0.681 -0.902 1.00 86.04 C +ATOM 29 CG PRO A 5 -3.933 -1.819 -0.453 1.00 84.42 C +ATOM 30 CD PRO A 5 -2.536 -1.470 -0.871 1.00 86.57 C +HETATM 31 N HYP A 6 -5.096 2.014 0.720 1.00 88.59 N +HETATM 32 CA HYP A 6 -5.509 2.629 1.981 1.00 89.85 C +HETATM 33 C HYP A 6 -5.917 1.606 3.005 1.00 88.06 C +HETATM 34 O HYP A 6 -6.245 0.458 2.639 1.00 88.07 O +HETATM 35 CB HYP A 6 -6.713 3.477 1.484 1.00 84.89 C +HETATM 36 CG HYP A 6 -6.356 3.844 0.065 1.00 83.47 C +HETATM 37 CD HYP A 6 -5.748 2.586 -0.447 1.00 87.30 C +HETATM 38 OD1 HYP A 6 -5.420 4.893 0.013 1.00 83.30 O +ATOM 39 N GLY A 7 -5.913 1.966 4.238 1.00 87.81 N +ATOM 40 CA GLY A 7 -6.250 1.067 5.314 1.00 86.46 C +ATOM 41 C GLY A 7 -7.701 0.608 5.270 1.00 87.02 C +ATOM 42 O GLY A 7 -8.451 0.962 4.355 1.00 86.38 O +ATOM 43 N PRO A 8 -8.106 -0.160 6.284 1.00 88.42 N +ATOM 44 CA PRO A 8 -9.458 -0.708 6.341 1.00 88.86 C +ATOM 45 C PRO A 8 -10.536 0.357 6.411 1.00 89.01 C +ATOM 46 O PRO A 8 -10.290 1.486 6.833 1.00 87.30 O +ATOM 47 CB PRO A 8 -9.466 -1.542 7.620 1.00 86.77 C +ATOM 48 CG PRO A 8 -8.051 -1.692 8.017 1.00 86.55 C +ATOM 49 CD PRO A 8 -7.298 -0.552 7.421 1.00 88.58 C +HETATM 50 N HYP A 9 -11.773 -0.042 6.026 1.00 86.27 N +HETATM 51 CA HYP A 9 -12.917 0.775 6.129 1.00 88.79 C +HETATM 52 C HYP A 9 -13.166 1.252 7.487 1.00 87.75 C +HETATM 53 O HYP A 9 -12.849 0.512 8.433 1.00 86.86 O +HETATM 54 CB HYP A 9 -14.066 -0.098 5.639 1.00 84.27 C +HETATM 55 CG HYP A 9 -13.404 -1.057 4.691 1.00 82.23 C +HETATM 56 CD HYP A 9 -12.075 -1.285 5.326 1.00 86.54 C +HETATM 57 OD1 HYP A 9 -13.212 -0.482 3.430 1.00 82.71 O +ATOM 58 N GLY A 10 -13.691 2.461 7.686 1.00 87.96 N +ATOM 59 CA GLY A 10 -14.007 3.012 8.980 1.00 85.97 C +ATOM 60 C GLY A 10 -12.783 3.399 9.774 1.00 85.95 C +ATOM 61 O GLY A 10 -12.902 3.879 10.895 1.00 83.58 O +ATOM 62 N MET A 11 -11.614 3.192 9.221 1.00 88.64 N +ATOM 63 CA MET A 11 -10.353 3.450 9.885 1.00 89.06 C +ATOM 64 C MET A 11 -9.293 3.537 8.793 1.00 88.63 C +ATOM 65 O MET A 11 -8.393 2.719 8.708 1.00 84.92 O +ATOM 66 CB MET A 11 -10.042 2.319 10.868 1.00 85.56 C +ATOM 67 CG MET A 11 -8.861 2.585 11.762 1.00 81.18 C +ATOM 68 SD MET A 11 -8.625 1.263 12.960 1.00 76.71 S +ATOM 69 CE MET A 11 -8.106 -0.062 11.886 1.00 70.60 C +ATOM 70 N ILE A 12 -9.448 4.515 7.923 1.00 86.78 N +ATOM 71 CA ILE A 12 -8.555 4.647 6.779 1.00 86.76 C +ATOM 72 C ILE A 12 -7.141 4.901 7.268 1.00 86.93 C +ATOM 73 O ILE A 12 -6.858 5.913 7.910 1.00 82.84 O +ATOM 74 CB ILE A 12 -9.013 5.779 5.840 1.00 83.92 C +ATOM 75 CG1 ILE A 12 -10.405 5.451 5.279 1.00 79.37 C +ATOM 76 CG2 ILE A 12 -8.018 5.962 4.694 1.00 75.94 C +ATOM 77 CD1 ILE A 12 -11.025 6.595 4.497 1.00 71.02 C +ATOM 78 N GLY A 13 -6.274 3.960 6.951 1.00 88.51 N +ATOM 79 CA GLY A 13 -4.900 4.068 7.368 1.00 86.89 C +ATOM 80 C GLY A 13 -4.035 4.676 6.290 1.00 87.34 C +ATOM 81 O GLY A 13 -4.518 5.046 5.224 1.00 86.88 O +ATOM 82 N PRO A 14 -2.759 4.798 6.568 1.00 84.53 N +ATOM 83 CA PRO A 14 -1.844 5.345 5.574 1.00 84.07 C +ATOM 84 C PRO A 14 -1.698 4.373 4.418 1.00 84.91 C +ATOM 85 O PRO A 14 -1.966 3.187 4.549 1.00 82.10 O +ATOM 86 CB PRO A 14 -0.536 5.508 6.341 1.00 80.83 C +ATOM 87 CG PRO A 14 -0.613 4.495 7.419 1.00 80.51 C +ATOM 88 CD PRO A 14 -2.062 4.428 7.803 1.00 79.85 C +HETATM 89 N HYP A 15 -1.277 4.885 3.316 1.00 83.77 N +HETATM 90 CA HYP A 15 -0.998 4.039 2.182 1.00 84.26 C +HETATM 91 C HYP A 15 0.039 3.010 2.520 1.00 86.88 C +HETATM 92 O HYP A 15 0.881 3.268 3.422 1.00 85.13 O +HETATM 93 CB HYP A 15 -0.571 5.096 1.148 1.00 83.15 C +HETATM 94 CG HYP A 15 -1.310 6.357 1.607 1.00 82.59 C +HETATM 95 CD HYP A 15 -1.198 6.271 3.103 1.00 85.55 C +HETATM 96 OD1 HYP A 15 -2.647 6.350 1.208 1.00 82.93 O +ATOM 97 N GLY A 16 -0.042 1.906 1.907 1.00 85.53 N +ATOM 98 CA GLY A 16 0.934 0.881 2.144 1.00 83.55 C +ATOM 99 C GLY A 16 2.293 1.305 1.623 1.00 84.74 C +ATOM 100 O GLY A 16 2.431 2.336 0.970 1.00 85.11 O +ATOM 101 N PRO A 17 3.298 0.496 1.917 1.00 82.51 N +ATOM 102 CA PRO A 17 4.639 0.827 1.464 1.00 82.85 C +ATOM 103 C PRO A 17 4.766 0.675 -0.039 1.00 83.33 C +ATOM 104 O PRO A 17 4.020 -0.062 -0.675 1.00 82.66 O +ATOM 105 CB PRO A 17 5.524 -0.170 2.208 1.00 80.43 C +ATOM 106 CG PRO A 17 4.628 -1.321 2.481 1.00 79.47 C +ATOM 107 CD PRO A 17 3.269 -0.730 2.704 1.00 79.43 C +HETATM 108 N HYP A 18 5.702 1.359 -0.615 1.00 81.49 N +HETATM 109 CA HYP A 18 5.982 1.227 -1.994 1.00 86.56 C +HETATM 110 C HYP A 18 6.402 -0.190 -2.341 1.00 80.97 C +HETATM 111 O HYP A 18 6.972 -0.899 -1.490 1.00 85.50 O +HETATM 112 CB HYP A 18 7.175 2.193 -2.150 1.00 81.07 C +HETATM 113 CG HYP A 18 6.983 3.232 -1.074 1.00 77.51 C +HETATM 114 CD HYP A 18 6.451 2.412 0.060 1.00 85.05 C +HETATM 115 OD1 HYP A 18 6.013 4.184 -1.450 1.00 83.02 O +ATOM 116 N GLY A 19 6.078 -0.610 -3.516 1.00 85.64 N +ATOM 117 CA GLY A 19 6.449 -1.922 -3.961 1.00 83.97 C +ATOM 118 C GLY A 19 7.951 -2.013 -4.144 1.00 84.14 C +ATOM 119 O GLY A 19 8.666 -1.019 -4.049 1.00 83.31 O +ATOM 120 N PRO A 20 8.421 -3.218 -4.411 1.00 78.30 N +ATOM 121 CA PRO A 20 9.851 -3.402 -4.597 1.00 78.77 C +ATOM 122 C PRO A 20 10.343 -2.721 -5.859 1.00 77.84 C +ATOM 123 O PRO A 20 9.571 -2.408 -6.757 1.00 77.43 O +ATOM 124 CB PRO A 20 10.009 -4.922 -4.671 1.00 76.24 C +ATOM 125 CG PRO A 20 8.677 -5.417 -5.064 1.00 73.24 C +ATOM 126 CD PRO A 20 7.671 -4.453 -4.508 1.00 73.83 C +HETATM 127 N HYP A 21 11.628 -2.486 -5.928 1.00 81.66 N +HETATM 128 CA HYP A 21 12.219 -1.911 -7.100 1.00 81.09 C +HETATM 129 C HYP A 21 11.966 -2.726 -8.356 1.00 80.45 C +HETATM 130 O HYP A 21 11.868 -3.960 -8.277 1.00 84.28 O +HETATM 131 CB HYP A 21 13.713 -1.953 -6.725 1.00 78.45 C +HETATM 132 CG HYP A 21 13.740 -1.900 -5.198 1.00 75.55 C +HETATM 133 CD HYP A 21 12.557 -2.718 -4.819 1.00 83.11 C +HETATM 134 OD1 HYP A 21 13.534 -0.575 -4.710 1.00 81.10 O +ATOM 135 N GLY A 22 11.727 -2.069 -9.476 1.00 79.54 N +ATOM 136 CA GLY A 22 11.450 -2.737 -10.712 1.00 78.55 C +ATOM 137 C GLY A 22 12.672 -3.491 -11.210 1.00 78.74 C +ATOM 138 O GLY A 22 13.751 -3.388 -10.631 1.00 77.22 O +ATOM 139 N PRO A 23 12.505 -4.229 -12.286 1.00 78.60 N +ATOM 140 CA PRO A 23 13.623 -4.992 -12.830 1.00 82.05 C +ATOM 141 C PRO A 23 14.654 -4.071 -13.433 1.00 81.10 C +ATOM 142 O PRO A 23 14.355 -2.959 -13.857 1.00 77.65 O +ATOM 143 CB PRO A 23 12.964 -5.884 -13.876 1.00 76.97 C +ATOM 144 CG PRO A 23 11.775 -5.117 -14.304 1.00 71.12 C +ATOM 145 CD PRO A 23 11.286 -4.415 -13.062 1.00 74.02 C +HETATM 146 N HYP A 24 15.856 -4.515 -13.547 1.00 84.07 N +HETATM 147 CA HYP A 24 16.893 -3.650 -14.137 1.00 77.13 C +HETATM 148 C HYP A 24 16.545 -3.281 -15.561 1.00 73.25 C +HETATM 149 O HYP A 24 17.363 -3.125 -16.435 1.00 81.13 O +HETATM 150 CB HYP A 24 18.097 -4.649 -14.152 1.00 74.75 C +HETATM 151 CG HYP A 24 17.845 -5.701 -13.134 1.00 74.65 C +HETATM 152 CD HYP A 24 16.341 -5.837 -13.136 1.00 82.58 C +HETATM 153 OD1 HYP A 24 18.263 -5.257 -11.851 1.00 80.51 O +HETATM 154 OXT HYP A 24 15.367 -3.133 -15.815 1.00 72.99 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_218.txt b/protein_pdb_218.txt new file mode 100644 index 0000000000000000000000000000000000000000..22e3121a6572d1ddf43e29dd1446c45797167a09 --- /dev/null +++ b/protein_pdb_218.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 0.740 -13.444 -10.537 1.00 78.04 N +ATOM 2 CA GLY A 1 -0.190 -12.342 -10.729 1.00 81.60 C +ATOM 3 C GLY A 1 0.498 -11.011 -10.539 1.00 84.00 C +ATOM 4 O GLY A 1 1.678 -10.962 -10.210 1.00 80.64 O +ATOM 5 N PRO A 2 -0.234 -9.942 -10.720 1.00 82.91 N +ATOM 6 CA PRO A 2 0.349 -8.616 -10.589 1.00 85.37 C +ATOM 7 C PRO A 2 0.648 -8.263 -9.150 1.00 85.41 C +ATOM 8 O PRO A 2 0.135 -8.874 -8.220 1.00 82.74 O +ATOM 9 CB PRO A 2 -0.729 -7.697 -11.163 1.00 82.40 C +ATOM 10 CG PRO A 2 -1.993 -8.432 -10.926 1.00 78.40 C +ATOM 11 CD PRO A 2 -1.663 -9.886 -11.051 1.00 78.46 C +HETATM 12 N HYP A 3 1.490 -7.319 -9.022 1.00 85.07 N +HETATM 13 CA HYP A 3 1.759 -6.759 -7.676 1.00 82.95 C +HETATM 14 C HYP A 3 0.500 -6.301 -7.006 1.00 86.27 C +HETATM 15 O HYP A 3 -0.473 -5.901 -7.688 1.00 89.31 O +HETATM 16 CB HYP A 3 2.689 -5.583 -7.990 1.00 84.26 C +HETATM 17 CG HYP A 3 3.380 -5.982 -9.282 1.00 80.52 C +HETATM 18 CD HYP A 3 2.257 -6.685 -10.046 1.00 84.98 C +HETATM 19 OD1 HYP A 3 4.387 -6.904 -8.982 1.00 84.19 O +ATOM 20 N GLY A 4 0.479 -6.411 -5.715 1.00 87.34 N +ATOM 21 CA GLY A 4 -0.637 -5.938 -4.945 1.00 87.65 C +ATOM 22 C GLY A 4 -0.744 -4.428 -4.980 1.00 88.92 C +ATOM 23 O GLY A 4 0.114 -3.739 -5.519 1.00 88.55 O +ATOM 24 N PRO A 5 -1.801 -3.918 -4.400 1.00 88.01 N +ATOM 25 CA PRO A 5 -1.994 -2.477 -4.376 1.00 89.17 C +ATOM 26 C PRO A 5 -1.004 -1.799 -3.451 1.00 89.20 C +ATOM 27 O PRO A 5 -0.413 -2.423 -2.579 1.00 87.00 O +ATOM 28 CB PRO A 5 -3.426 -2.323 -3.868 1.00 86.98 C +ATOM 29 CG PRO A 5 -3.654 -3.539 -3.045 1.00 85.65 C +ATOM 30 CD PRO A 5 -2.873 -4.634 -3.708 1.00 87.21 C +HETATM 31 N HYP A 6 -0.819 -0.525 -3.677 1.00 88.87 N +HETATM 32 CA HYP A 6 -0.005 0.281 -2.779 1.00 91.55 C +HETATM 33 C HYP A 6 -0.488 0.217 -1.380 1.00 88.09 C +HETATM 34 O HYP A 6 -1.703 0.035 -1.120 1.00 88.39 O +HETATM 35 CB HYP A 6 -0.217 1.685 -3.385 1.00 84.31 C +HETATM 36 CG HYP A 6 -0.486 1.431 -4.847 1.00 83.34 C +HETATM 37 CD HYP A 6 -1.327 0.187 -4.801 1.00 87.31 C +HETATM 38 OD1 HYP A 6 0.732 1.157 -5.509 1.00 86.48 O +ATOM 39 N GLY A 7 0.416 0.273 -0.462 1.00 89.41 N +ATOM 40 CA GLY A 7 0.074 0.297 0.936 1.00 88.46 C +ATOM 41 C GLY A 7 -0.711 1.541 1.294 1.00 89.20 C +ATOM 42 O GLY A 7 -0.882 2.452 0.489 1.00 88.40 O +ATOM 43 N PRO A 8 -1.202 1.570 2.509 1.00 90.00 N +ATOM 44 CA PRO A 8 -2.000 2.711 2.937 1.00 89.76 C +ATOM 45 C PRO A 8 -1.140 3.950 3.125 1.00 89.71 C +ATOM 46 O PRO A 8 0.044 3.871 3.422 1.00 86.70 O +ATOM 47 CB PRO A 8 -2.608 2.248 4.252 1.00 87.16 C +ATOM 48 CG PRO A 8 -1.636 1.261 4.769 1.00 87.29 C +ATOM 49 CD PRO A 8 -1.060 0.570 3.564 1.00 89.10 C +HETATM 50 N HYP A 9 -1.778 5.090 2.986 1.00 84.48 N +HETATM 51 CA HYP A 9 -1.117 6.326 3.228 1.00 85.19 C +HETATM 52 C HYP A 9 -0.816 6.475 4.687 1.00 84.39 C +HETATM 53 O HYP A 9 -1.520 5.914 5.545 1.00 85.66 O +HETATM 54 CB HYP A 9 -2.250 7.377 2.909 1.00 79.97 C +HETATM 55 CG HYP A 9 -3.252 6.664 2.084 1.00 78.69 C +HETATM 56 CD HYP A 9 -3.166 5.250 2.523 1.00 84.38 C +HETATM 57 OD1 HYP A 9 -2.815 6.718 0.730 1.00 80.55 O +ATOM 58 N GLY A 10 0.199 7.161 5.034 1.00 85.80 N +ATOM 59 CA GLY A 10 0.391 7.553 6.414 1.00 82.70 C +ATOM 60 C GLY A 10 -0.590 8.660 6.770 1.00 83.96 C +ATOM 61 O GLY A 10 -1.439 9.046 5.967 1.00 80.76 O +ATOM 62 N ASP A 11 -0.473 9.161 7.980 1.00 83.46 N +ATOM 63 CA ASP A 11 -1.308 10.302 8.340 1.00 86.88 C +ATOM 64 C ASP A 11 -1.122 11.418 7.324 1.00 86.87 C +ATOM 65 O ASP A 11 -2.083 12.059 6.907 1.00 83.87 O +ATOM 66 CB ASP A 11 -0.940 10.808 9.733 1.00 84.34 C +ATOM 67 CG ASP A 11 -1.495 9.937 10.838 1.00 78.74 C +ATOM 68 OD1 ASP A 11 -2.356 9.081 10.564 1.00 78.09 O +ATOM 69 OD2 ASP A 11 -1.061 10.122 11.992 1.00 76.14 O +ATOM 70 N VAL A 12 0.120 11.625 6.946 1.00 86.94 N +ATOM 71 CA VAL A 12 0.499 12.518 5.866 1.00 88.88 C +ATOM 72 C VAL A 12 1.638 11.819 5.143 1.00 88.55 C +ATOM 73 O VAL A 12 2.712 11.633 5.707 1.00 84.44 O +ATOM 74 CB VAL A 12 0.964 13.897 6.383 1.00 84.48 C +ATOM 75 CG1 VAL A 12 1.427 14.756 5.214 1.00 77.32 C +ATOM 76 CG2 VAL A 12 -0.158 14.604 7.131 1.00 77.69 C +ATOM 77 N GLY A 13 1.399 11.430 3.919 1.00 86.96 N +ATOM 78 CA GLY A 13 2.457 10.754 3.200 1.00 85.90 C +ATOM 79 C GLY A 13 1.910 9.910 2.082 1.00 86.91 C +ATOM 80 O GLY A 13 0.697 9.677 1.992 1.00 86.74 O +ATOM 81 N PRO A 14 2.789 9.465 1.222 1.00 89.63 N +ATOM 82 CA PRO A 14 2.379 8.684 0.069 1.00 89.17 C +ATOM 83 C PRO A 14 1.990 7.270 0.456 1.00 89.42 C +ATOM 84 O PRO A 14 2.307 6.786 1.535 1.00 87.24 O +ATOM 85 CB PRO A 14 3.633 8.681 -0.807 1.00 87.03 C +ATOM 86 CG PRO A 14 4.745 8.755 0.174 1.00 86.67 C +ATOM 87 CD PRO A 14 4.239 9.648 1.276 1.00 86.76 C +HETATM 88 N HYP A 15 1.333 6.688 -0.465 1.00 89.68 N +HETATM 89 CA HYP A 15 1.031 5.272 -0.305 1.00 89.35 C +HETATM 90 C HYP A 15 2.283 4.467 -0.222 1.00 91.95 C +HETATM 91 O HYP A 15 3.346 4.875 -0.725 1.00 89.33 O +HETATM 92 CB HYP A 15 0.324 5.014 -1.669 1.00 86.77 C +HETATM 93 CG HYP A 15 -0.241 6.368 -2.105 1.00 84.74 C +HETATM 94 CD HYP A 15 0.817 7.329 -1.656 1.00 87.91 C +HETATM 95 OD1 HYP A 15 -1.425 6.634 -1.414 1.00 85.62 O +ATOM 96 N GLY A 16 2.191 3.362 0.448 1.00 92.14 N +ATOM 97 CA GLY A 16 3.308 2.457 0.504 1.00 91.89 C +ATOM 98 C GLY A 16 3.550 1.796 -0.830 1.00 93.03 C +ATOM 99 O GLY A 16 2.819 2.021 -1.802 1.00 92.89 O +ATOM 100 N PRO A 17 4.594 0.983 -0.888 1.00 92.32 N +ATOM 101 CA PRO A 17 4.907 0.304 -2.139 1.00 92.26 C +ATOM 102 C PRO A 17 3.878 -0.758 -2.476 1.00 92.92 C +ATOM 103 O PRO A 17 3.117 -1.202 -1.623 1.00 91.47 O +ATOM 104 CB PRO A 17 6.281 -0.309 -1.875 1.00 90.69 C +ATOM 105 CG PRO A 17 6.367 -0.424 -0.407 1.00 90.11 C +ATOM 106 CD PRO A 17 5.524 0.653 0.184 1.00 91.31 C +HETATM 107 N HYP A 18 3.855 -1.150 -3.737 1.00 90.55 N +HETATM 108 CA HYP A 18 3.018 -2.226 -4.135 1.00 93.37 C +HETATM 109 C HYP A 18 3.295 -3.484 -3.373 1.00 89.15 C +HETATM 110 O HYP A 18 4.444 -3.726 -2.955 1.00 91.18 O +HETATM 111 CB HYP A 18 3.407 -2.400 -5.609 1.00 88.74 C +HETATM 112 CG HYP A 18 3.834 -1.016 -6.055 1.00 86.95 C +HETATM 113 CD HYP A 18 4.562 -0.517 -4.826 1.00 90.95 C +HETATM 114 OD1 HYP A 18 2.693 -0.215 -6.289 1.00 88.65 O +ATOM 115 N GLY A 19 2.270 -4.226 -3.146 1.00 89.92 N +ATOM 116 CA GLY A 19 2.412 -5.494 -2.485 1.00 89.36 C +ATOM 117 C GLY A 19 3.154 -6.492 -3.343 1.00 90.22 C +ATOM 118 O GLY A 19 3.508 -6.210 -4.491 1.00 90.11 O +ATOM 119 N PRO A 20 3.388 -7.662 -2.793 1.00 85.51 N +ATOM 120 CA PRO A 20 4.097 -8.684 -3.536 1.00 85.78 C +ATOM 121 C PRO A 20 3.252 -9.218 -4.679 1.00 85.61 C +ATOM 122 O PRO A 20 2.039 -9.058 -4.696 1.00 84.28 O +ATOM 123 CB PRO A 20 4.354 -9.763 -2.486 1.00 83.18 C +ATOM 124 CG PRO A 20 3.252 -9.578 -1.507 1.00 81.04 C +ATOM 125 CD PRO A 20 2.968 -8.112 -1.474 1.00 82.79 C +HETATM 126 N HYP A 21 3.923 -9.834 -5.614 1.00 87.06 N +HETATM 127 CA HYP A 21 3.220 -10.466 -6.686 1.00 87.69 C +HETATM 128 C HYP A 21 2.204 -11.488 -6.233 1.00 87.19 C +HETATM 129 O HYP A 21 2.430 -12.134 -5.213 1.00 90.24 O +HETATM 130 CB HYP A 21 4.292 -11.100 -7.523 1.00 85.36 C +HETATM 131 CG HYP A 21 5.525 -10.274 -7.232 1.00 80.93 C +HETATM 132 CD HYP A 21 5.360 -9.918 -5.781 1.00 87.07 C +HETATM 133 OD1 HYP A 21 5.466 -9.063 -7.984 1.00 85.14 O +ATOM 134 N GLY A 22 1.085 -11.497 -6.878 1.00 85.64 N +ATOM 135 CA GLY A 22 0.056 -12.447 -6.569 1.00 83.88 C +ATOM 136 C GLY A 22 0.444 -13.842 -7.015 1.00 84.30 C +ATOM 137 O GLY A 22 1.543 -14.072 -7.513 1.00 83.00 O +ATOM 138 N PRO A 23 -0.471 -14.783 -6.862 1.00 85.43 N +ATOM 139 CA PRO A 23 -0.205 -16.145 -7.306 1.00 86.38 C +ATOM 140 C PRO A 23 0.080 -16.185 -8.791 1.00 85.54 C +ATOM 141 O PRO A 23 -0.404 -15.351 -9.544 1.00 81.10 O +ATOM 142 CB PRO A 23 -1.498 -16.889 -6.981 1.00 81.84 C +ATOM 143 CG PRO A 23 -2.189 -16.032 -5.990 1.00 79.71 C +ATOM 144 CD PRO A 23 -1.788 -14.630 -6.283 1.00 81.65 C +HETATM 145 N HYP A 24 0.792 -17.062 -9.255 1.00 86.89 N +HETATM 146 CA HYP A 24 1.169 -17.085 -10.657 1.00 80.51 C +HETATM 147 C HYP A 24 0.571 -16.114 -11.516 1.00 83.96 C +HETATM 148 O HYP A 24 -0.263 -16.452 -12.347 1.00 78.37 O +HETATM 149 CB HYP A 24 1.555 -18.428 -10.942 1.00 81.19 C +HETATM 150 CG HYP A 24 1.739 -19.105 -9.574 1.00 78.58 C +HETATM 151 CD HYP A 24 0.886 -18.298 -8.620 1.00 84.62 C +HETATM 152 OD1 HYP A 24 3.094 -18.952 -9.129 1.00 80.29 O +HETATM 153 OXT HYP A 24 1.026 -14.948 -11.393 1.00 78.49 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_219.txt b/protein_pdb_219.txt new file mode 100644 index 0000000000000000000000000000000000000000..2ee0f38eee3b8bba1ab3181399ec58059bfdce25 --- /dev/null +++ b/protein_pdb_219.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -7.892 14.383 2.462 1.00 77.34 N +ATOM 2 CA GLY A 1 -8.753 13.327 1.957 1.00 79.44 C +ATOM 3 C GLY A 1 -8.576 12.050 2.744 1.00 80.52 C +ATOM 4 O GLY A 1 -7.749 11.991 3.654 1.00 77.08 O +ATOM 5 N PRO A 2 -9.319 11.023 2.396 1.00 82.13 N +ATOM 6 CA PRO A 2 -9.247 9.761 3.126 1.00 84.19 C +ATOM 7 C PRO A 2 -7.951 9.014 2.849 1.00 83.91 C +ATOM 8 O PRO A 2 -7.283 9.246 1.850 1.00 81.42 O +ATOM 9 CB PRO A 2 -10.455 8.989 2.615 1.00 80.27 C +ATOM 10 CG PRO A 2 -10.670 9.525 1.247 1.00 75.71 C +ATOM 11 CD PRO A 2 -10.322 10.983 1.332 1.00 76.26 C +HETATM 12 N HYP A 3 -7.636 8.150 3.739 1.00 85.45 N +HETATM 13 CA HYP A 3 -6.480 7.264 3.540 1.00 86.15 C +HETATM 14 C HYP A 3 -6.623 6.411 2.291 1.00 88.29 C +HETATM 15 O HYP A 3 -7.770 6.067 1.891 1.00 87.69 O +HETATM 16 CB HYP A 3 -6.536 6.367 4.807 1.00 85.56 C +HETATM 17 CG HYP A 3 -7.185 7.247 5.854 1.00 79.16 C +HETATM 18 CD HYP A 3 -8.264 8.000 5.028 1.00 82.88 C +HETATM 19 OD1 HYP A 3 -6.243 8.166 6.336 1.00 82.59 O +ATOM 20 N GLY A 4 -5.534 6.119 1.659 1.00 86.90 N +ATOM 21 CA GLY A 4 -5.540 5.274 0.499 1.00 85.98 C +ATOM 22 C GLY A 4 -5.851 3.838 0.867 1.00 86.51 C +ATOM 23 O GLY A 4 -5.905 3.476 2.044 1.00 86.11 O +ATOM 24 N PRO A 5 -6.049 3.002 -0.144 1.00 86.10 N +ATOM 25 CA PRO A 5 -6.348 1.597 0.105 1.00 85.96 C +ATOM 26 C PRO A 5 -5.114 0.839 0.559 1.00 86.04 C +ATOM 27 O PRO A 5 -3.988 1.303 0.407 1.00 83.95 O +ATOM 28 CB PRO A 5 -6.836 1.112 -1.250 1.00 82.92 C +ATOM 29 CG PRO A 5 -6.101 1.971 -2.224 1.00 81.25 C +ATOM 30 CD PRO A 5 -6.015 3.319 -1.575 1.00 83.08 C +HETATM 31 N HYP A 6 -5.357 -0.319 1.133 1.00 87.46 N +HETATM 32 CA HYP A 6 -4.260 -1.209 1.473 1.00 90.06 C +HETATM 33 C HYP A 6 -3.403 -1.551 0.288 1.00 89.89 C +HETATM 34 O HYP A 6 -3.917 -1.615 -0.863 1.00 87.57 O +HETATM 35 CB HYP A 6 -5.008 -2.449 2.018 1.00 83.71 C +HETATM 36 CG HYP A 6 -6.305 -1.914 2.539 1.00 83.86 C +HETATM 37 CD HYP A 6 -6.648 -0.819 1.545 1.00 86.00 C +HETATM 38 OD1 HYP A 6 -6.123 -1.353 3.816 1.00 82.42 O +ATOM 39 N GLY A 7 -2.137 -1.748 0.494 1.00 89.10 N +ATOM 40 CA GLY A 7 -1.233 -2.133 -0.555 1.00 87.36 C +ATOM 41 C GLY A 7 -1.545 -3.528 -1.064 1.00 87.92 C +ATOM 42 O GLY A 7 -2.343 -4.260 -0.473 1.00 86.83 O +ATOM 43 N PRO A 8 -0.916 -3.902 -2.158 1.00 87.00 N +ATOM 44 CA PRO A 8 -1.174 -5.213 -2.732 1.00 86.66 C +ATOM 45 C PRO A 8 -0.545 -6.338 -1.929 1.00 86.13 C +ATOM 46 O PRO A 8 0.450 -6.149 -1.237 1.00 83.36 O +ATOM 47 CB PRO A 8 -0.559 -5.113 -4.128 1.00 83.26 C +ATOM 48 CG PRO A 8 0.522 -4.112 -3.970 1.00 82.51 C +ATOM 49 CD PRO A 8 0.016 -3.114 -2.965 1.00 84.40 C +HETATM 50 N HYP A 9 -1.152 -7.533 -2.078 1.00 84.35 N +HETATM 51 CA HYP A 9 -0.647 -8.698 -1.463 1.00 87.69 C +HETATM 52 C HYP A 9 0.725 -9.070 -2.052 1.00 83.15 C +HETATM 53 O HYP A 9 1.060 -8.655 -3.150 1.00 83.98 O +HETATM 54 CB HYP A 9 -1.561 -9.863 -1.899 1.00 77.62 C +HETATM 55 CG HYP A 9 -2.815 -9.212 -2.306 1.00 76.59 C +HETATM 56 CD HYP A 9 -2.392 -7.859 -2.808 1.00 82.34 C +HETATM 57 OD1 HYP A 9 -3.623 -9.057 -1.166 1.00 78.43 O +ATOM 58 N GLY A 10 1.487 -9.819 -1.500 1.00 85.36 N +ATOM 59 CA GLY A 10 2.730 -10.283 -2.074 1.00 81.39 C +ATOM 60 C GLY A 10 3.245 -11.495 -1.338 1.00 80.71 C +ATOM 61 O GLY A 10 2.685 -11.924 -0.336 1.00 77.83 O +ATOM 62 N GLN A 11 4.321 -12.024 -1.842 1.00 85.19 N +ATOM 63 CA GLN A 11 4.922 -13.200 -1.233 1.00 87.10 C +ATOM 64 C GLN A 11 5.442 -12.914 0.166 1.00 86.16 C +ATOM 65 O GLN A 11 5.603 -13.833 0.969 1.00 82.25 O +ATOM 66 CB GLN A 11 6.073 -13.708 -2.098 1.00 84.36 C +ATOM 67 CG GLN A 11 5.639 -14.143 -3.487 1.00 80.50 C +ATOM 68 CD GLN A 11 4.671 -15.310 -3.438 1.00 74.12 C +ATOM 69 OE1 GLN A 11 4.826 -16.234 -2.641 1.00 70.94 O +ATOM 70 NE2 GLN A 11 3.665 -15.266 -4.288 1.00 68.84 N +ATOM 71 N GLU A 12 5.724 -11.655 0.441 1.00 80.20 N +ATOM 72 CA GLU A 12 6.262 -11.278 1.741 1.00 82.49 C +ATOM 73 C GLU A 12 5.200 -10.961 2.779 1.00 84.47 C +ATOM 74 O GLU A 12 5.539 -10.648 3.922 1.00 77.13 O +ATOM 75 CB GLU A 12 7.212 -10.098 1.580 1.00 76.19 C +ATOM 76 CG GLU A 12 8.430 -10.443 0.741 1.00 69.21 C +ATOM 77 CD GLU A 12 9.433 -9.323 0.627 1.00 64.74 C +ATOM 78 OE1 GLU A 12 9.171 -8.232 1.152 1.00 60.61 O +ATOM 79 OE2 GLU A 12 10.488 -9.543 -0.002 1.00 63.82 O +ATOM 80 N GLY A 13 3.933 -11.035 2.426 1.00 84.09 N +ATOM 81 CA GLY A 13 2.915 -10.803 3.428 1.00 82.46 C +ATOM 82 C GLY A 13 1.611 -10.263 2.893 1.00 84.34 C +ATOM 83 O GLY A 13 1.384 -10.223 1.681 1.00 84.31 O +ATOM 84 N PRO A 14 0.749 -9.888 3.807 1.00 86.02 N +ATOM 85 CA PRO A 14 -0.581 -9.400 3.464 1.00 86.35 C +ATOM 86 C PRO A 14 -0.532 -7.997 2.873 1.00 86.22 C +ATOM 87 O PRO A 14 0.531 -7.402 2.734 1.00 83.32 O +ATOM 88 CB PRO A 14 -1.306 -9.417 4.803 1.00 83.28 C +ATOM 89 CG PRO A 14 -0.235 -9.142 5.794 1.00 81.63 C +ATOM 90 CD PRO A 14 0.975 -9.859 5.267 1.00 82.32 C +HETATM 91 N HYP A 15 -1.716 -7.518 2.559 1.00 84.95 N +HETATM 92 CA HYP A 15 -1.822 -6.175 2.045 1.00 89.05 C +HETATM 93 C HYP A 15 -1.141 -5.180 2.938 1.00 87.17 C +HETATM 94 O HYP A 15 -1.146 -5.356 4.191 1.00 87.90 O +HETATM 95 CB HYP A 15 -3.338 -5.927 1.996 1.00 83.38 C +HETATM 96 CG HYP A 15 -3.909 -7.286 1.807 1.00 80.88 C +HETATM 97 CD HYP A 15 -3.012 -8.163 2.653 1.00 85.69 C +HETATM 98 OD1 HYP A 15 -3.814 -7.620 0.480 1.00 85.87 O +ATOM 99 N GLY A 16 -0.550 -4.196 2.339 1.00 89.02 N +ATOM 100 CA GLY A 16 0.093 -3.159 3.094 1.00 88.05 C +ATOM 101 C GLY A 16 -0.923 -2.284 3.801 1.00 89.44 C +ATOM 102 O GLY A 16 -2.132 -2.446 3.625 1.00 89.05 O +ATOM 103 N PRO A 17 -0.428 -1.360 4.601 1.00 89.23 N +ATOM 104 CA PRO A 17 -1.320 -0.462 5.325 1.00 88.98 C +ATOM 105 C PRO A 17 -1.971 0.547 4.390 1.00 90.13 C +ATOM 106 O PRO A 17 -1.541 0.733 3.261 1.00 88.72 O +ATOM 107 CB PRO A 17 -0.388 0.222 6.324 1.00 86.45 C +ATOM 108 CG PRO A 17 0.937 0.187 5.668 1.00 85.90 C +ATOM 109 CD PRO A 17 0.982 -1.096 4.894 1.00 87.51 C +HETATM 110 N HYP A 18 -3.029 1.187 4.874 1.00 87.78 N +HETATM 111 CA HYP A 18 -3.629 2.226 4.134 1.00 90.49 C +HETATM 112 C HYP A 18 -2.687 3.323 3.758 1.00 89.49 C +HETATM 113 O HYP A 18 -1.743 3.615 4.544 1.00 90.36 O +HETATM 114 CB HYP A 18 -4.725 2.728 5.088 1.00 85.94 C +HETATM 115 CG HYP A 18 -5.066 1.532 5.929 1.00 85.32 C +HETATM 116 CD HYP A 18 -3.716 0.860 6.107 1.00 89.61 C +HETATM 117 OD1 HYP A 18 -5.922 0.681 5.208 1.00 86.03 O +ATOM 118 N GLY A 19 -2.867 3.891 2.625 1.00 90.33 N +ATOM 119 CA GLY A 19 -2.045 4.987 2.189 1.00 89.79 C +ATOM 120 C GLY A 19 -2.255 6.207 3.057 1.00 90.30 C +ATOM 121 O GLY A 19 -3.140 6.238 3.915 1.00 89.55 O +ATOM 122 N PRO A 20 -1.441 7.214 2.835 1.00 85.62 N +ATOM 123 CA PRO A 20 -1.546 8.423 3.635 1.00 85.39 C +ATOM 124 C PRO A 20 -2.794 9.217 3.305 1.00 85.20 C +ATOM 125 O PRO A 20 -3.377 9.073 2.234 1.00 84.06 O +ATOM 126 CB PRO A 20 -0.283 9.197 3.255 1.00 82.16 C +ATOM 127 CG PRO A 20 0.004 8.746 1.870 1.00 78.94 C +ATOM 128 CD PRO A 20 -0.374 7.293 1.841 1.00 80.98 C +HETATM 129 N HYP A 21 -3.202 10.038 4.225 1.00 86.15 N +HETATM 130 CA HYP A 21 -4.290 10.939 3.992 1.00 87.09 C +HETATM 131 C HYP A 21 -4.072 11.882 2.837 1.00 85.88 C +HETATM 132 O HYP A 21 -2.899 12.251 2.585 1.00 89.00 O +HETATM 133 CB HYP A 21 -4.342 11.764 5.302 1.00 84.84 C +HETATM 134 CG HYP A 21 -3.728 10.881 6.351 1.00 80.41 C +HETATM 135 CD HYP A 21 -2.645 10.132 5.581 1.00 86.36 C +HETATM 136 OD1 HYP A 21 -4.686 9.936 6.800 1.00 83.04 O +ATOM 137 N GLY A 22 -5.053 12.151 2.085 1.00 84.64 N +ATOM 138 CA GLY A 22 -4.941 13.108 1.020 1.00 81.96 C +ATOM 139 C GLY A 22 -4.816 14.516 1.571 1.00 81.80 C +ATOM 140 O GLY A 22 -4.789 14.721 2.782 1.00 81.41 O +ATOM 141 N PRO A 23 -4.753 15.502 0.692 1.00 87.94 N +ATOM 142 CA PRO A 23 -4.639 16.889 1.131 1.00 88.57 C +ATOM 143 C PRO A 23 -5.848 17.298 1.952 1.00 87.50 C +ATOM 144 O PRO A 23 -6.921 16.723 1.823 1.00 82.79 O +ATOM 145 CB PRO A 23 -4.580 17.690 -0.166 1.00 83.84 C +ATOM 146 CG PRO A 23 -4.219 16.705 -1.196 1.00 81.43 C +ATOM 147 CD PRO A 23 -4.770 15.396 -0.756 1.00 84.11 C +HETATM 148 N HYP A 24 -5.713 18.292 2.761 1.00 87.85 N +HETATM 149 CA HYP A 24 -6.891 18.696 3.472 1.00 84.44 C +HETATM 150 C HYP A 24 -8.098 18.600 2.704 1.00 85.37 C +HETATM 151 O HYP A 24 -8.299 19.450 1.835 1.00 79.99 O +HETATM 152 CB HYP A 24 -6.528 20.050 4.073 1.00 83.72 C +HETATM 153 CG HYP A 24 -5.019 20.113 4.076 1.00 79.69 C +HETATM 154 CD HYP A 24 -4.596 19.197 2.918 1.00 86.64 C +HETATM 155 OD1 HYP A 24 -4.501 19.538 5.277 1.00 80.26 O +HETATM 156 OXT HYP A 24 -8.804 17.603 2.960 1.00 76.18 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_22.txt b/protein_pdb_22.txt new file mode 100644 index 0000000000000000000000000000000000000000..89ca0d6d14c3b637d013cbb9ac7f2ac2ec90f75f --- /dev/null +++ b/protein_pdb_22.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 33.316 -6.616 9.763 1.00 82.24 N +ATOM 2 CA GLY A 1 33.022 -6.649 8.338 1.00 86.00 C +ATOM 3 C GLY A 1 32.099 -5.523 7.931 1.00 86.80 C +ATOM 4 O GLY A 1 31.556 -4.819 8.789 1.00 83.84 O +ATOM 5 N PRO A 2 31.905 -5.324 6.655 1.00 83.91 N +ATOM 6 CA PRO A 2 31.021 -4.261 6.181 1.00 88.07 C +ATOM 7 C PRO A 2 29.563 -4.573 6.484 1.00 87.91 C +ATOM 8 O PRO A 2 29.195 -5.718 6.738 1.00 86.11 O +ATOM 9 CB PRO A 2 31.278 -4.222 4.676 1.00 85.42 C +ATOM 10 CG PRO A 2 31.683 -5.627 4.351 1.00 81.51 C +ATOM 11 CD PRO A 2 32.469 -6.102 5.548 1.00 82.15 C +HETATM 12 N HYP A 3 28.812 -3.588 6.495 1.00 85.97 N +HETATM 13 CA HYP A 3 27.339 -3.736 6.627 1.00 86.75 C +HETATM 14 C HYP A 3 26.778 -4.634 5.581 1.00 86.17 C +HETATM 15 O HYP A 3 27.290 -4.697 4.451 1.00 87.28 O +HETATM 16 CB HYP A 3 26.839 -2.330 6.570 1.00 83.07 C +HETATM 17 CG HYP A 3 28.009 -1.485 7.053 1.00 83.33 C +HETATM 18 CD HYP A 3 29.196 -2.224 6.418 1.00 85.75 C +HETATM 19 OD1 HYP A 3 28.143 -1.536 8.440 1.00 87.79 O +ATOM 20 N GLY A 4 25.717 -5.381 5.927 1.00 90.34 N +ATOM 21 CA GLY A 4 25.066 -6.257 4.984 1.00 89.45 C +ATOM 22 C GLY A 4 24.347 -5.471 3.900 1.00 88.82 C +ATOM 23 O GLY A 4 24.223 -4.244 3.977 1.00 87.33 O +ATOM 24 N PRO A 5 23.862 -6.166 2.883 1.00 90.31 N +ATOM 25 CA PRO A 5 23.155 -5.494 1.803 1.00 89.67 C +ATOM 26 C PRO A 5 21.807 -4.953 2.265 1.00 89.50 C +ATOM 27 O PRO A 5 21.256 -5.402 3.262 1.00 88.18 O +ATOM 28 CB PRO A 5 22.981 -6.591 0.752 1.00 87.89 C +ATOM 29 CG PRO A 5 22.955 -7.850 1.564 1.00 86.58 C +ATOM 30 CD PRO A 5 23.919 -7.609 2.696 1.00 87.63 C +HETATM 31 N HYP A 6 21.333 -3.990 1.552 1.00 86.47 N +HETATM 32 CA HYP A 6 19.972 -3.482 1.821 1.00 89.55 C +HETATM 33 C HYP A 6 18.949 -4.587 1.727 1.00 88.29 C +HETATM 34 O HYP A 6 19.117 -5.545 0.946 1.00 87.99 O +HETATM 35 CB HYP A 6 19.795 -2.454 0.693 1.00 86.96 C +HETATM 36 CG HYP A 6 21.198 -1.993 0.383 1.00 83.97 C +HETATM 37 CD HYP A 6 22.006 -3.285 0.523 1.00 86.14 C +HETATM 38 OD1 HYP A 6 21.642 -1.059 1.337 1.00 86.12 O +ATOM 39 N GLY A 7 17.892 -4.465 2.542 1.00 91.51 N +ATOM 40 CA GLY A 7 16.812 -5.416 2.506 1.00 90.26 C +ATOM 41 C GLY A 7 16.013 -5.305 1.223 1.00 90.30 C +ATOM 42 O GLY A 7 16.199 -4.378 0.433 1.00 89.30 O +ATOM 43 N PRO A 8 15.102 -6.236 1.005 1.00 87.90 N +ATOM 44 CA PRO A 8 14.279 -6.204 -0.197 1.00 87.66 C +ATOM 45 C PRO A 8 13.271 -5.066 -0.144 1.00 87.81 C +ATOM 46 O PRO A 8 12.963 -4.543 0.919 1.00 85.55 O +ATOM 47 CB PRO A 8 13.586 -7.565 -0.193 1.00 85.36 C +ATOM 48 CG PRO A 8 13.514 -7.916 1.252 1.00 85.20 C +ATOM 49 CD PRO A 8 14.780 -7.373 1.860 1.00 85.92 C +HETATM 50 N HYP A 9 12.754 -4.668 -1.287 1.00 87.88 N +HETATM 51 CA HYP A 9 11.678 -3.691 -1.331 1.00 89.79 C +HETATM 52 C HYP A 9 10.516 -4.137 -0.516 1.00 88.89 C +HETATM 53 O HYP A 9 10.251 -5.354 -0.389 1.00 88.72 O +HETATM 54 CB HYP A 9 11.364 -3.692 -2.872 1.00 88.46 C +HETATM 55 CG HYP A 9 12.666 -4.042 -3.510 1.00 86.66 C +HETATM 56 CD HYP A 9 13.239 -5.082 -2.561 1.00 88.79 C +HETATM 57 OD1 HYP A 9 13.547 -2.916 -3.532 1.00 86.19 O +ATOM 58 N GLY A 10 9.768 -3.156 0.022 1.00 90.80 N +ATOM 59 CA GLY A 10 8.574 -3.450 0.779 1.00 89.35 C +ATOM 60 C GLY A 10 7.500 -4.079 -0.087 1.00 89.74 C +ATOM 61 O GLY A 10 7.611 -4.110 -1.315 1.00 88.39 O +ATOM 62 N PRO A 11 6.444 -4.585 0.541 1.00 89.24 N +ATOM 63 CA PRO A 11 5.364 -5.219 -0.210 1.00 88.98 C +ATOM 64 C PRO A 11 4.563 -4.193 -1.005 1.00 89.24 C +ATOM 65 O PRO A 11 4.555 -3.011 -0.682 1.00 86.99 O +ATOM 66 CB PRO A 11 4.518 -5.870 0.871 1.00 87.15 C +ATOM 67 CG PRO A 11 4.747 -5.015 2.066 1.00 87.18 C +ATOM 68 CD PRO A 11 6.193 -4.592 1.985 1.00 87.55 C +HETATM 69 N HYP A 12 3.885 -4.630 -2.014 1.00 90.07 N +HETATM 70 CA HYP A 12 2.963 -3.768 -2.759 1.00 88.48 C +HETATM 71 C HYP A 12 1.887 -3.216 -1.857 1.00 91.35 C +HETATM 72 O HYP A 12 1.519 -3.842 -0.842 1.00 89.53 O +HETATM 73 CB HYP A 12 2.345 -4.822 -3.755 1.00 87.56 C +HETATM 74 CG HYP A 12 3.420 -5.830 -3.937 1.00 84.93 C +HETATM 75 CD HYP A 12 4.010 -5.941 -2.557 1.00 89.26 C +HETATM 76 OD1 HYP A 12 4.441 -5.361 -4.805 1.00 87.35 O +ATOM 77 N GLY A 13 1.418 -2.032 -2.189 1.00 92.12 N +ATOM 78 CA GLY A 13 0.350 -1.434 -1.434 1.00 90.67 C +ATOM 79 C GLY A 13 -0.938 -2.233 -1.568 1.00 91.21 C +ATOM 80 O GLY A 13 -1.034 -3.149 -2.384 1.00 90.87 O +ATOM 81 N PRO A 14 -1.935 -1.878 -0.767 1.00 90.73 N +ATOM 82 CA PRO A 14 -3.208 -2.590 -0.834 1.00 90.97 C +ATOM 83 C PRO A 14 -3.955 -2.262 -2.118 1.00 91.02 C +ATOM 84 O PRO A 14 -3.710 -1.241 -2.746 1.00 89.28 O +ATOM 85 CB PRO A 14 -3.954 -2.085 0.401 1.00 89.60 C +ATOM 86 CG PRO A 14 -3.401 -0.724 0.621 1.00 88.98 C +ATOM 87 CD PRO A 14 -1.942 -0.827 0.248 1.00 89.98 C +HETATM 88 N HYP A 15 -4.893 -3.123 -2.515 1.00 86.98 N +HETATM 89 CA HYP A 15 -5.742 -2.831 -3.629 1.00 89.95 C +HETATM 90 C HYP A 15 -6.539 -1.547 -3.435 1.00 86.75 C +HETATM 91 O HYP A 15 -6.845 -1.167 -2.302 1.00 88.19 O +HETATM 92 CB HYP A 15 -6.694 -4.061 -3.629 1.00 85.98 C +HETATM 93 CG HYP A 15 -5.859 -5.139 -3.039 1.00 82.95 C +HETATM 94 CD HYP A 15 -5.096 -4.414 -1.970 1.00 87.35 C +HETATM 95 OD1 HYP A 15 -4.931 -5.655 -3.968 1.00 88.44 O +ATOM 96 N GLY A 16 -6.794 -0.859 -4.511 1.00 90.54 N +ATOM 97 CA GLY A 16 -7.573 0.344 -4.442 1.00 88.69 C +ATOM 98 C GLY A 16 -9.000 0.054 -3.994 1.00 89.73 C +ATOM 99 O GLY A 16 -9.427 -1.106 -3.950 1.00 89.53 O +ATOM 100 N PRO A 17 -9.739 1.107 -3.674 1.00 86.52 N +ATOM 101 CA PRO A 17 -11.120 0.913 -3.240 1.00 87.76 C +ATOM 102 C PRO A 17 -12.006 0.482 -4.395 1.00 87.32 C +ATOM 103 O PRO A 17 -11.680 0.690 -5.559 1.00 86.11 O +ATOM 104 CB PRO A 17 -11.514 2.290 -2.708 1.00 86.04 C +ATOM 105 CG PRO A 17 -10.663 3.224 -3.488 1.00 83.80 C +ATOM 106 CD PRO A 17 -9.349 2.510 -3.678 1.00 85.11 C +HETATM 107 N HYP A 18 -13.138 -0.124 -4.109 1.00 85.25 N +HETATM 108 CA HYP A 18 -14.122 -0.443 -5.103 1.00 90.27 C +HETATM 109 C HYP A 18 -14.561 0.765 -5.880 1.00 86.15 C +HETATM 110 O HYP A 18 -14.558 1.892 -5.363 1.00 88.93 O +HETATM 111 CB HYP A 18 -15.260 -1.018 -4.284 1.00 88.19 C +HETATM 112 CG HYP A 18 -14.582 -1.602 -3.101 1.00 84.21 C +HETATM 113 CD HYP A 18 -13.481 -0.602 -2.830 1.00 86.79 C +HETATM 114 OD1 HYP A 18 -13.985 -2.850 -3.397 1.00 89.42 O +ATOM 115 N GLY A 19 -14.884 0.577 -7.147 1.00 89.62 N +ATOM 116 CA GLY A 19 -15.376 1.650 -7.965 1.00 88.36 C +ATOM 117 C GLY A 19 -16.724 2.151 -7.478 1.00 88.42 C +ATOM 118 O GLY A 19 -17.346 1.547 -6.594 1.00 87.23 O +ATOM 119 N PRO A 20 -17.195 3.248 -8.050 1.00 82.81 N +ATOM 120 CA PRO A 20 -18.479 3.797 -7.642 1.00 83.08 C +ATOM 121 C PRO A 20 -19.630 2.920 -8.097 1.00 82.31 C +ATOM 122 O PRO A 20 -19.487 2.093 -8.989 1.00 80.81 O +ATOM 123 CB PRO A 20 -18.499 5.162 -8.328 1.00 79.98 C +ATOM 124 CG PRO A 20 -17.656 4.963 -9.539 1.00 76.50 C +ATOM 125 CD PRO A 20 -16.559 4.025 -9.111 1.00 78.48 C +HETATM 126 N HYP A 21 -20.810 3.060 -7.507 1.00 89.16 N +HETATM 127 CA HYP A 21 -21.973 2.366 -7.908 1.00 89.49 C +HETATM 128 C HYP A 21 -22.342 2.608 -9.360 1.00 90.49 C +HETATM 129 O HYP A 21 -22.051 3.684 -9.883 1.00 89.14 O +HETATM 130 CB HYP A 21 -23.067 2.948 -7.002 1.00 89.53 C +HETATM 131 CG HYP A 21 -22.330 3.367 -5.775 1.00 87.68 C +HETATM 132 CD HYP A 21 -21.018 3.884 -6.352 1.00 89.61 C +HETATM 133 OD1 HYP A 21 -22.044 2.257 -4.942 1.00 88.03 O +ATOM 134 N GLY A 22 -22.925 1.654 -10.017 1.00 85.04 N +ATOM 135 CA GLY A 22 -23.360 1.816 -11.377 1.00 83.28 C +ATOM 136 C GLY A 22 -24.431 2.891 -11.495 1.00 82.20 C +ATOM 137 O GLY A 22 -24.965 3.368 -10.494 1.00 80.11 O +ATOM 138 N PRO A 23 -24.774 3.258 -12.725 1.00 81.63 N +ATOM 139 CA PRO A 23 -25.785 4.292 -12.929 1.00 82.98 C +ATOM 140 C PRO A 23 -27.165 3.787 -12.557 1.00 82.14 C +ATOM 141 O PRO A 23 -27.420 2.584 -12.531 1.00 78.22 O +ATOM 142 CB PRO A 23 -25.672 4.607 -14.416 1.00 77.53 C +ATOM 143 CG PRO A 23 -25.192 3.333 -15.009 1.00 72.37 C +ATOM 144 CD PRO A 23 -24.258 2.745 -13.993 1.00 72.88 C +HETATM 145 N HYP A 24 -28.094 4.648 -12.301 1.00 85.29 N +HETATM 146 CA HYP A 24 -29.432 4.187 -12.044 1.00 85.01 C +HETATM 147 C HYP A 24 -29.967 3.569 -13.331 1.00 85.56 C +HETATM 148 O HYP A 24 -30.600 2.590 -13.210 1.00 82.86 O +HETATM 149 CB HYP A 24 -30.230 5.519 -11.835 1.00 86.59 C +HETATM 150 CG HYP A 24 -29.222 6.537 -11.442 1.00 86.16 C +HETATM 151 CD HYP A 24 -27.940 6.073 -12.137 1.00 84.67 C +HETATM 152 OD1 HYP A 24 -29.005 6.446 -10.050 1.00 81.81 O +HETATM 153 OXT HYP A 24 -29.678 4.136 -14.412 1.00 78.57 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_220.txt b/protein_pdb_220.txt new file mode 100644 index 0000000000000000000000000000000000000000..07718dac73aaedec4a791a0cde36f4de079743df --- /dev/null +++ b/protein_pdb_220.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 11.857 -2.598 -9.289 1.00 92.21 N +ATOM 2 CA GLY A 1 10.971 -1.474 -9.386 1.00 92.54 C +ATOM 3 C GLY A 1 10.751 -0.778 -8.064 1.00 92.83 C +ATOM 4 O GLY A 1 11.139 -1.285 -7.014 1.00 91.39 O +ATOM 5 N PRO A 2 10.153 0.294 -8.118 1.00 92.21 N +ATOM 6 CA PRO A 2 9.878 1.053 -6.915 1.00 92.69 C +ATOM 7 C PRO A 2 8.771 0.423 -6.086 1.00 92.53 C +ATOM 8 O PRO A 2 8.035 -0.441 -6.559 1.00 91.21 O +ATOM 9 CB PRO A 2 9.464 2.415 -7.456 1.00 90.13 C +ATOM 10 CG PRO A 2 8.841 2.086 -8.763 1.00 86.11 C +ATOM 11 CD PRO A 2 9.685 0.977 -9.324 1.00 88.64 C +HETATM 12 N HYP A 3 8.681 0.857 -4.847 1.00 89.97 N +HETATM 13 CA HYP A 3 7.596 0.360 -4.006 1.00 89.25 C +HETATM 14 C HYP A 3 6.259 0.717 -4.572 1.00 89.25 C +HETATM 15 O HYP A 3 6.116 1.745 -5.263 1.00 93.22 O +HETATM 16 CB HYP A 3 7.853 1.162 -2.680 1.00 89.69 C +HETATM 17 CG HYP A 3 9.344 1.407 -2.689 1.00 87.78 C +HETATM 18 CD HYP A 3 9.627 1.696 -4.174 1.00 89.31 C +HETATM 19 OD1 HYP A 3 9.995 0.228 -2.312 1.00 89.87 O +ATOM 20 N GLY A 4 5.307 -0.168 -4.348 1.00 93.60 N +ATOM 21 CA GLY A 4 3.977 0.060 -4.828 1.00 93.05 C +ATOM 22 C GLY A 4 3.338 1.226 -4.095 1.00 94.24 C +ATOM 23 O GLY A 4 3.865 1.720 -3.105 1.00 94.11 O +ATOM 24 N PRO A 5 2.182 1.677 -4.576 1.00 93.20 N +ATOM 25 CA PRO A 5 1.493 2.792 -3.934 1.00 93.18 C +ATOM 26 C PRO A 5 0.890 2.381 -2.601 1.00 93.11 C +ATOM 27 O PRO A 5 0.725 1.205 -2.320 1.00 91.98 O +ATOM 28 CB PRO A 5 0.416 3.164 -4.949 1.00 91.56 C +ATOM 29 CG PRO A 5 0.122 1.874 -5.623 1.00 89.35 C +ATOM 30 CD PRO A 5 1.453 1.189 -5.738 1.00 92.05 C +HETATM 31 N HYP A 6 0.581 3.386 -1.786 1.00 93.49 N +HETATM 32 CA HYP A 6 -0.080 3.106 -0.536 1.00 94.45 C +HETATM 33 C HYP A 6 -1.402 2.429 -0.747 1.00 94.16 C +HETATM 34 O HYP A 6 -2.087 2.669 -1.771 1.00 94.16 O +HETATM 35 CB HYP A 6 -0.301 4.539 0.036 1.00 90.37 C +HETATM 36 CG HYP A 6 0.819 5.325 -0.549 1.00 90.67 C +HETATM 37 CD HYP A 6 0.895 4.770 -1.965 1.00 91.96 C +HETATM 38 OD1 HYP A 6 2.002 5.024 0.144 1.00 91.38 O +ATOM 39 N GLY A 7 -1.736 1.566 0.167 1.00 93.81 N +ATOM 40 CA GLY A 7 -2.991 0.873 0.097 1.00 92.96 C +ATOM 41 C GLY A 7 -4.148 1.833 0.296 1.00 93.82 C +ATOM 42 O GLY A 7 -3.954 3.004 0.612 1.00 93.86 O +ATOM 43 N PRO A 8 -5.365 1.341 0.108 1.00 93.92 N +ATOM 44 CA PRO A 8 -6.533 2.195 0.272 1.00 93.86 C +ATOM 45 C PRO A 8 -6.790 2.521 1.732 1.00 93.91 C +ATOM 46 O PRO A 8 -6.332 1.832 2.637 1.00 93.00 O +ATOM 47 CB PRO A 8 -7.664 1.357 -0.312 1.00 92.01 C +ATOM 48 CG PRO A 8 -7.223 -0.041 -0.064 1.00 90.68 C +ATOM 49 CD PRO A 8 -5.727 -0.017 -0.275 1.00 92.68 C +HETATM 50 N HYP A 9 -7.538 3.595 1.974 1.00 92.17 N +HETATM 51 CA HYP A 9 -7.908 3.967 3.287 1.00 91.29 C +HETATM 52 C HYP A 9 -8.844 2.939 3.902 1.00 92.95 C +HETATM 53 O HYP A 9 -9.610 2.284 3.174 1.00 91.90 O +HETATM 54 CB HYP A 9 -8.692 5.287 3.094 1.00 87.67 C +HETATM 55 CG HYP A 9 -8.177 5.821 1.813 1.00 88.30 C +HETATM 56 CD HYP A 9 -7.913 4.618 0.987 1.00 90.13 C +HETATM 57 OD1 HYP A 9 -6.966 6.496 2.051 1.00 89.42 O +ATOM 58 N GLY A 10 -8.761 2.732 5.167 1.00 94.06 N +ATOM 59 CA GLY A 10 -9.708 1.882 5.854 1.00 92.67 C +ATOM 60 C GLY A 10 -11.050 2.591 5.908 1.00 93.33 C +ATOM 61 O GLY A 10 -11.221 3.669 5.342 1.00 91.74 O +ATOM 62 N GLN A 11 -12.003 1.992 6.608 1.00 91.64 N +ATOM 63 CA GLN A 11 -13.323 2.610 6.725 1.00 93.06 C +ATOM 64 C GLN A 11 -13.208 4.076 7.111 1.00 92.95 C +ATOM 65 O GLN A 11 -13.848 4.940 6.511 1.00 90.26 O +ATOM 66 CB GLN A 11 -14.157 1.862 7.768 1.00 91.61 C +ATOM 67 CG GLN A 11 -14.475 0.426 7.386 1.00 86.97 C +ATOM 68 CD GLN A 11 -15.471 0.330 6.247 1.00 80.39 C +ATOM 69 OE1 GLN A 11 -16.187 1.273 5.941 1.00 75.92 O +ATOM 70 NE2 GLN A 11 -15.523 -0.819 5.610 1.00 73.83 N +ATOM 71 N THR A 12 -12.386 4.351 8.109 1.00 93.88 N +ATOM 72 CA THR A 12 -12.090 5.720 8.533 1.00 93.81 C +ATOM 73 C THR A 12 -10.615 5.834 8.888 1.00 94.13 C +ATOM 74 O THR A 12 -10.211 6.731 9.619 1.00 91.39 O +ATOM 75 CB THR A 12 -12.932 6.121 9.769 1.00 92.38 C +ATOM 76 OG1 THR A 12 -12.693 5.191 10.811 1.00 89.17 O +ATOM 77 CG2 THR A 12 -14.419 6.138 9.445 1.00 87.16 C +ATOM 78 N GLY A 13 -9.816 4.921 8.377 1.00 95.16 N +ATOM 79 CA GLY A 13 -8.429 4.832 8.772 1.00 94.21 C +ATOM 80 C GLY A 13 -7.445 5.303 7.730 1.00 94.84 C +ATOM 81 O GLY A 13 -7.819 5.717 6.631 1.00 94.61 O +ATOM 82 N PRO A 14 -6.172 5.243 8.068 1.00 94.43 N +ATOM 83 CA PRO A 14 -5.114 5.694 7.178 1.00 94.07 C +ATOM 84 C PRO A 14 -4.921 4.736 6.009 1.00 94.11 C +ATOM 85 O PRO A 14 -5.394 3.607 6.026 1.00 93.01 O +ATOM 86 CB PRO A 14 -3.886 5.729 8.074 1.00 92.61 C +ATOM 87 CG PRO A 14 -4.145 4.637 9.053 1.00 91.55 C +ATOM 88 CD PRO A 14 -5.621 4.720 9.323 1.00 92.99 C +HETATM 89 N HYP A 15 -4.224 5.238 5.052 1.00 94.67 N +HETATM 90 CA HYP A 15 -3.852 4.379 3.927 1.00 93.86 C +HETATM 91 C HYP A 15 -3.005 3.241 4.364 1.00 95.28 C +HETATM 92 O HYP A 15 -2.285 3.343 5.390 1.00 94.84 O +HETATM 93 CB HYP A 15 -3.056 5.390 3.072 1.00 91.11 C +HETATM 94 CG HYP A 15 -3.615 6.743 3.437 1.00 90.63 C +HETATM 95 CD HYP A 15 -3.875 6.615 4.919 1.00 93.19 C +HETATM 96 OD1 HYP A 15 -4.815 6.957 2.752 1.00 92.11 O +ATOM 97 N GLY A 16 -3.098 2.162 3.641 1.00 95.33 N +ATOM 98 CA GLY A 16 -2.285 1.024 3.935 1.00 94.85 C +ATOM 99 C GLY A 16 -0.834 1.314 3.614 1.00 95.24 C +ATOM 100 O GLY A 16 -0.504 2.357 3.045 1.00 95.13 O +ATOM 101 N PRO A 17 0.051 0.388 3.983 1.00 93.81 N +ATOM 102 CA PRO A 17 1.466 0.586 3.721 1.00 93.25 C +ATOM 103 C PRO A 17 1.776 0.475 2.235 1.00 93.43 C +ATOM 104 O PRO A 17 1.002 -0.079 1.466 1.00 92.33 O +ATOM 105 CB PRO A 17 2.134 -0.527 4.520 1.00 91.97 C +ATOM 106 CG PRO A 17 1.102 -1.596 4.546 1.00 90.98 C +ATOM 107 CD PRO A 17 -0.204 -0.872 4.665 1.00 92.66 C +HETATM 108 N HYP A 18 2.914 1.042 1.849 1.00 92.19 N +HETATM 109 CA HYP A 18 3.345 0.873 0.500 1.00 91.86 C +HETATM 110 C HYP A 18 3.532 -0.550 0.122 1.00 92.47 C +HETATM 111 O HYP A 18 3.870 -1.392 0.974 1.00 92.61 O +HETATM 112 CB HYP A 18 4.712 1.600 0.516 1.00 88.95 C +HETATM 113 CG HYP A 18 4.584 2.622 1.613 1.00 88.81 C +HETATM 114 CD HYP A 18 3.764 1.874 2.635 1.00 92.00 C +HETATM 115 OD1 HYP A 18 3.848 3.740 1.142 1.00 90.13 O +ATOM 116 N GLY A 19 3.279 -0.856 -1.124 1.00 91.34 N +ATOM 117 CA GLY A 19 3.463 -2.184 -1.619 1.00 90.97 C +ATOM 118 C GLY A 19 4.936 -2.532 -1.672 1.00 91.24 C +ATOM 119 O GLY A 19 5.798 -1.678 -1.503 1.00 91.69 O +ATOM 120 N PRO A 20 5.233 -3.804 -1.908 1.00 86.10 N +ATOM 121 CA PRO A 20 6.622 -4.228 -1.987 1.00 86.27 C +ATOM 122 C PRO A 20 7.284 -3.713 -3.254 1.00 85.94 C +ATOM 123 O PRO A 20 6.615 -3.324 -4.205 1.00 87.27 O +ATOM 124 CB PRO A 20 6.518 -5.751 -1.982 1.00 84.48 C +ATOM 125 CG PRO A 20 5.197 -6.007 -2.621 1.00 81.60 C +ATOM 126 CD PRO A 20 4.310 -4.905 -2.114 1.00 83.30 C +HETATM 127 N HYP A 21 8.613 -3.713 -3.219 1.00 88.46 N +HETATM 128 CA HYP A 21 9.315 -3.340 -4.410 1.00 88.59 C +HETATM 129 C HYP A 21 8.966 -4.180 -5.607 1.00 89.45 C +HETATM 130 O HYP A 21 8.697 -5.373 -5.447 1.00 92.47 O +HETATM 131 CB HYP A 21 10.778 -3.554 -4.036 1.00 87.86 C +HETATM 132 CG HYP A 21 10.816 -3.428 -2.546 1.00 84.24 C +HETATM 133 CD HYP A 21 9.509 -4.028 -2.122 1.00 88.26 C +HETATM 134 OD1 HYP A 21 10.798 -2.038 -2.189 1.00 87.90 O +ATOM 135 N GLY A 22 8.858 -3.565 -6.754 1.00 88.74 N +ATOM 136 CA GLY A 22 8.565 -4.275 -7.962 1.00 86.45 C +ATOM 137 C GLY A 22 9.783 -5.067 -8.400 1.00 86.34 C +ATOM 138 O GLY A 22 10.852 -4.969 -7.797 1.00 86.48 O +ATOM 139 N PRO A 23 9.649 -5.860 -9.451 1.00 92.60 N +ATOM 140 CA PRO A 23 10.779 -6.628 -9.941 1.00 92.35 C +ATOM 141 C PRO A 23 11.824 -5.701 -10.538 1.00 91.20 C +ATOM 142 O PRO A 23 11.531 -4.943 -11.455 1.00 88.41 O +ATOM 143 CB PRO A 23 10.161 -7.545 -10.987 1.00 89.77 C +ATOM 144 CG PRO A 23 8.981 -6.780 -11.467 1.00 86.32 C +ATOM 145 CD PRO A 23 8.457 -6.072 -10.245 1.00 90.14 C +HETATM 146 N HYP A 24 12.957 -5.652 -10.005 1.00 93.87 N +HETATM 147 CA HYP A 24 13.932 -4.591 -10.339 1.00 90.43 C +HETATM 148 C HYP A 24 13.552 -3.267 -10.304 1.00 93.65 C +HETATM 149 O HYP A 24 14.214 -2.323 -9.686 1.00 92.05 O +HETATM 150 CB HYP A 24 15.188 -5.180 -10.535 1.00 88.97 C +HETATM 151 CG HYP A 24 14.930 -6.678 -10.615 1.00 88.77 C +HETATM 152 CD HYP A 24 13.526 -6.902 -10.012 1.00 92.32 C +HETATM 153 OD1 HYP A 24 15.866 -7.392 -9.860 1.00 87.79 O +HETATM 154 OXT HYP A 24 12.790 -2.812 -11.226 1.00 89.08 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_221.txt b/protein_pdb_221.txt new file mode 100644 index 0000000000000000000000000000000000000000..8388189fa57199a344e1bc3d1820499eb7484c4e --- /dev/null +++ b/protein_pdb_221.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -13.519 30.527 -11.989 1.00 82.74 N +ATOM 2 CA GLY A 1 -12.886 30.351 -10.684 1.00 86.10 C +ATOM 3 C GLY A 1 -11.544 29.667 -10.807 1.00 87.40 C +ATOM 4 O GLY A 1 -11.183 29.192 -11.881 1.00 83.27 O +ATOM 5 N PRO A 2 -10.787 29.571 -9.726 1.00 86.01 N +ATOM 6 CA PRO A 2 -9.479 28.922 -9.752 1.00 89.07 C +ATOM 7 C PRO A 2 -9.614 27.419 -9.958 1.00 89.31 C +ATOM 8 O PRO A 2 -10.659 26.835 -9.700 1.00 86.17 O +ATOM 9 CB PRO A 2 -8.884 29.250 -8.387 1.00 84.60 C +ATOM 10 CG PRO A 2 -10.082 29.406 -7.515 1.00 81.18 C +ATOM 11 CD PRO A 2 -11.122 30.056 -8.386 1.00 82.59 C +HETATM 12 N HYP A 3 -8.604 26.877 -10.454 1.00 93.07 N +HETATM 13 CA HYP A 3 -8.517 25.379 -10.584 1.00 90.85 C +HETATM 14 C HYP A 3 -8.793 24.706 -9.280 1.00 92.07 C +HETATM 15 O HYP A 3 -8.457 25.238 -8.206 1.00 90.35 O +HETATM 16 CB HYP A 3 -7.097 25.195 -11.073 1.00 88.34 C +HETATM 17 CG HYP A 3 -6.720 26.481 -11.744 1.00 87.76 C +HETATM 18 CD HYP A 3 -7.395 27.528 -10.855 1.00 91.78 C +HETATM 19 OD1 HYP A 3 -7.242 26.573 -13.033 1.00 89.62 O +ATOM 20 N GLY A 4 -9.422 23.515 -9.358 1.00 93.84 N +ATOM 21 CA GLY A 4 -9.712 22.751 -8.173 1.00 92.85 C +ATOM 22 C GLY A 4 -8.439 22.240 -7.516 1.00 92.92 C +ATOM 23 O GLY A 4 -7.354 22.298 -8.108 1.00 92.13 O +ATOM 24 N PRO A 5 -8.562 21.725 -6.293 1.00 93.31 N +ATOM 25 CA PRO A 5 -7.389 21.204 -5.591 1.00 93.07 C +ATOM 26 C PRO A 5 -6.918 19.895 -6.202 1.00 93.30 C +ATOM 27 O PRO A 5 -7.654 19.224 -6.921 1.00 92.12 O +ATOM 28 CB PRO A 5 -7.900 21.002 -4.166 1.00 90.76 C +ATOM 29 CG PRO A 5 -9.348 20.711 -4.362 1.00 88.70 C +ATOM 30 CD PRO A 5 -9.778 21.583 -5.515 1.00 90.65 C +HETATM 31 N HYP A 6 -5.697 19.565 -5.939 1.00 94.07 N +HETATM 32 CA HYP A 6 -5.172 18.226 -6.309 1.00 93.65 C +HETATM 33 C HYP A 6 -5.999 17.117 -5.757 1.00 92.49 C +HETATM 34 O HYP A 6 -6.594 17.274 -4.670 1.00 91.07 O +HETATM 35 CB HYP A 6 -3.748 18.265 -5.718 1.00 91.72 C +HETATM 36 CG HYP A 6 -3.402 19.733 -5.698 1.00 88.69 C +HETATM 37 CD HYP A 6 -4.714 20.372 -5.312 1.00 92.76 C +HETATM 38 OD1 HYP A 6 -2.987 20.194 -6.948 1.00 88.33 O +ATOM 39 N GLY A 7 -6.100 15.993 -6.463 1.00 95.81 N +ATOM 40 CA GLY A 7 -6.872 14.857 -6.026 1.00 95.36 C +ATOM 41 C GLY A 7 -6.289 14.230 -4.774 1.00 95.70 C +ATOM 42 O GLY A 7 -5.179 14.559 -4.356 1.00 95.34 O +ATOM 43 N PRO A 8 -7.037 13.309 -4.171 1.00 94.30 N +ATOM 44 CA PRO A 8 -6.563 12.632 -2.968 1.00 94.56 C +ATOM 45 C PRO A 8 -5.448 11.650 -3.298 1.00 94.61 C +ATOM 46 O PRO A 8 -5.265 11.254 -4.441 1.00 93.76 O +ATOM 47 CB PRO A 8 -7.807 11.918 -2.449 1.00 93.04 C +ATOM 48 CG PRO A 8 -8.578 11.634 -3.692 1.00 91.56 C +ATOM 49 CD PRO A 8 -8.348 12.837 -4.575 1.00 92.71 C +HETATM 50 N HYP A 9 -4.720 11.252 -2.313 1.00 94.28 N +HETATM 51 CA HYP A 9 -3.711 10.210 -2.456 1.00 94.29 C +HETATM 52 C HYP A 9 -4.285 8.924 -2.923 1.00 95.59 C +HETATM 53 O HYP A 9 -5.432 8.603 -2.580 1.00 92.60 O +HETATM 54 CB HYP A 9 -3.188 10.016 -0.980 1.00 92.45 C +HETATM 55 CG HYP A 9 -3.452 11.337 -0.340 1.00 90.11 C +HETATM 56 CD HYP A 9 -4.761 11.759 -0.987 1.00 93.24 C +HETATM 57 OD1 HYP A 9 -2.442 12.270 -0.698 1.00 88.31 O +ATOM 58 N GLY A 10 -3.557 8.190 -3.720 1.00 95.90 N +ATOM 59 CA GLY A 10 -4.010 6.908 -4.207 1.00 95.15 C +ATOM 60 C GLY A 10 -4.157 5.899 -3.079 1.00 95.24 C +ATOM 61 O GLY A 10 -3.781 6.168 -1.935 1.00 94.70 O +ATOM 62 N PRO A 11 -4.692 4.709 -3.393 1.00 93.84 N +ATOM 63 CA PRO A 11 -4.868 3.700 -2.359 1.00 93.38 C +ATOM 64 C PRO A 11 -3.539 3.164 -1.859 1.00 92.97 C +ATOM 65 O PRO A 11 -2.523 3.188 -2.558 1.00 90.29 O +ATOM 66 CB PRO A 11 -5.681 2.608 -3.061 1.00 91.44 C +ATOM 67 CG PRO A 11 -5.327 2.771 -4.493 1.00 91.27 C +ATOM 68 CD PRO A 11 -5.158 4.254 -4.694 1.00 92.74 C +ATOM 69 N LEU A 12 -3.553 2.659 -0.632 1.00 92.64 N +ATOM 70 CA LEU A 12 -2.368 2.061 -0.046 1.00 92.08 C +ATOM 71 C LEU A 12 -1.982 0.831 -0.863 1.00 92.45 C +ATOM 72 O LEU A 12 -2.847 0.076 -1.311 1.00 89.73 O +ATOM 73 CB LEU A 12 -2.663 1.663 1.409 1.00 88.67 C +ATOM 74 CG LEU A 12 -1.507 1.073 2.214 1.00 81.04 C +ATOM 75 CD1 LEU A 12 -0.385 2.075 2.358 1.00 78.77 C +ATOM 76 CD2 LEU A 12 -2.009 0.640 3.583 1.00 75.93 C +ATOM 77 N GLY A 13 -0.687 0.658 -1.062 1.00 93.96 N +ATOM 78 CA GLY A 13 -0.206 -0.487 -1.812 1.00 93.37 C +ATOM 79 C GLY A 13 -0.497 -1.802 -1.121 1.00 94.01 C +ATOM 80 O GLY A 13 -0.871 -1.836 0.052 1.00 93.67 O +ATOM 81 N PRO A 14 -0.325 -2.923 -1.830 1.00 92.43 N +ATOM 82 CA PRO A 14 -0.595 -4.236 -1.246 1.00 92.67 C +ATOM 83 C PRO A 14 0.440 -4.602 -0.191 1.00 92.82 C +ATOM 84 O PRO A 14 1.538 -4.056 -0.167 1.00 91.72 O +ATOM 85 CB PRO A 14 -0.527 -5.183 -2.445 1.00 91.24 C +ATOM 86 CG PRO A 14 0.417 -4.503 -3.369 1.00 90.54 C +ATOM 87 CD PRO A 14 0.128 -3.032 -3.214 1.00 91.33 C +HETATM 88 N HYP A 15 0.095 -5.557 0.673 1.00 90.18 N +HETATM 89 CA HYP A 15 1.033 -6.065 1.648 1.00 90.65 C +HETATM 90 C HYP A 15 2.259 -6.682 0.985 1.00 94.15 C +HETATM 91 O HYP A 15 2.160 -7.182 -0.139 1.00 83.05 O +HETATM 92 CB HYP A 15 0.201 -7.154 2.346 1.00 89.94 C +HETATM 93 CG HYP A 15 -1.229 -6.670 2.178 1.00 86.58 C +HETATM 94 CD HYP A 15 -1.211 -6.123 0.804 1.00 89.82 C +HETATM 95 OD1 HYP A 15 -1.562 -5.649 3.093 1.00 89.56 O +ATOM 96 N GLY A 16 3.367 -6.606 1.624 1.00 95.24 N +ATOM 97 CA GLY A 16 4.552 -7.228 1.108 1.00 94.59 C +ATOM 98 C GLY A 16 4.423 -8.745 1.109 1.00 95.03 C +ATOM 99 O GLY A 16 3.472 -9.297 1.665 1.00 94.61 O +ATOM 100 N PRO A 17 5.384 -9.431 0.489 1.00 89.82 N +ATOM 101 CA PRO A 17 5.336 -10.889 0.434 1.00 90.26 C +ATOM 102 C PRO A 17 5.611 -11.506 1.802 1.00 90.22 C +ATOM 103 O PRO A 17 6.173 -10.869 2.679 1.00 89.10 O +ATOM 104 CB PRO A 17 6.425 -11.240 -0.569 1.00 88.10 C +ATOM 105 CG PRO A 17 7.399 -10.122 -0.433 1.00 86.56 C +ATOM 106 CD PRO A 17 6.558 -8.896 -0.203 1.00 87.78 C +HETATM 107 N HYP A 18 5.229 -12.743 1.976 1.00 92.45 N +HETATM 108 CA HYP A 18 5.538 -13.484 3.170 1.00 92.07 C +HETATM 109 C HYP A 18 7.024 -13.556 3.424 1.00 92.55 C +HETATM 110 O HYP A 18 7.812 -13.637 2.472 1.00 89.28 O +HETATM 111 CB HYP A 18 4.949 -14.854 2.910 1.00 91.71 C +HETATM 112 CG HYP A 18 3.821 -14.613 1.942 1.00 89.71 C +HETATM 113 CD HYP A 18 4.375 -13.511 1.091 1.00 90.12 C +HETATM 114 OD1 HYP A 18 2.654 -14.156 2.593 1.00 90.66 O +ATOM 115 N GLY A 19 7.425 -13.517 4.667 1.00 91.52 N +ATOM 116 CA GLY A 19 8.814 -13.596 5.018 1.00 90.76 C +ATOM 117 C GLY A 19 9.405 -14.944 4.626 1.00 91.22 C +ATOM 118 O GLY A 19 8.678 -15.869 4.253 1.00 90.68 O +ATOM 119 N PRO A 20 10.725 -15.067 4.725 1.00 89.91 N +ATOM 120 CA PRO A 20 11.372 -16.321 4.367 1.00 89.58 C +ATOM 121 C PRO A 20 11.068 -17.413 5.386 1.00 89.31 C +ATOM 122 O PRO A 20 10.688 -17.129 6.517 1.00 87.14 O +ATOM 123 CB PRO A 20 12.851 -15.959 4.355 1.00 86.60 C +ATOM 124 CG PRO A 20 12.944 -14.848 5.336 1.00 84.30 C +ATOM 125 CD PRO A 20 11.674 -14.050 5.157 1.00 87.02 C +HETATM 126 N HYP A 21 11.265 -18.649 5.024 1.00 93.96 N +HETATM 127 CA HYP A 21 11.078 -19.782 5.903 1.00 92.29 C +HETATM 128 C HYP A 21 12.012 -19.717 7.106 1.00 94.49 C +HETATM 129 O HYP A 21 13.138 -19.208 6.974 1.00 91.56 O +HETATM 130 CB HYP A 21 11.481 -20.996 5.048 1.00 92.22 C +HETATM 131 CG HYP A 21 11.251 -20.553 3.625 1.00 91.62 C +HETATM 132 CD HYP A 21 11.610 -19.089 3.682 1.00 93.34 C +HETATM 133 OD1 HYP A 21 9.873 -20.665 3.284 1.00 89.79 O +ATOM 134 N GLY A 22 11.563 -20.121 8.246 1.00 87.44 N +ATOM 135 CA GLY A 22 12.393 -20.147 9.421 1.00 86.18 C +ATOM 136 C GLY A 22 13.526 -21.151 9.253 1.00 86.70 C +ATOM 137 O GLY A 22 13.557 -21.916 8.294 1.00 84.85 O +ATOM 138 N PRO A 23 14.476 -21.186 10.205 1.00 88.03 N +ATOM 139 CA PRO A 23 15.597 -22.116 10.107 1.00 88.48 C +ATOM 140 C PRO A 23 15.125 -23.550 10.293 1.00 88.04 C +ATOM 141 O PRO A 23 14.106 -23.811 10.930 1.00 83.91 O +ATOM 142 CB PRO A 23 16.524 -21.670 11.227 1.00 83.93 C +ATOM 143 CG PRO A 23 15.614 -21.031 12.212 1.00 80.37 C +ATOM 144 CD PRO A 23 14.549 -20.355 11.399 1.00 82.91 C +HETATM 145 N HYP A 24 15.869 -24.523 9.826 1.00 89.09 N +HETATM 146 CA HYP A 24 15.473 -25.918 9.968 1.00 85.01 C +HETATM 147 C HYP A 24 15.454 -26.293 11.420 1.00 88.26 C +HETATM 148 O HYP A 24 16.361 -25.859 12.166 1.00 84.94 O +HETATM 149 CB HYP A 24 16.598 -26.734 9.257 1.00 88.50 C +HETATM 150 CG HYP A 24 17.275 -25.746 8.345 1.00 84.88 C +HETATM 151 CD HYP A 24 17.114 -24.408 9.066 1.00 87.95 C +HETATM 152 OD1 HYP A 24 16.565 -25.699 7.127 1.00 82.61 O +HETATM 153 OXT HYP A 24 14.513 -27.021 11.788 1.00 79.63 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_222.txt b/protein_pdb_222.txt new file mode 100644 index 0000000000000000000000000000000000000000..86ef124a074a33aa9c9251a60e41fcd4252451f8 --- /dev/null +++ b/protein_pdb_222.txt @@ -0,0 +1,151 @@ +ATOM 1 N GLY A 1 -0.114 -14.849 -6.873 1.00 90.71 N +ATOM 2 CA GLY A 1 -0.552 -13.657 -7.521 1.00 90.74 C +ATOM 3 C GLY A 1 0.461 -12.532 -7.467 1.00 91.53 C +ATOM 4 O GLY A 1 1.499 -12.647 -6.814 1.00 89.92 O +ATOM 5 N PRO A 2 0.153 -11.499 -8.114 1.00 90.51 N +ATOM 6 CA PRO A 2 1.043 -10.349 -8.174 1.00 90.85 C +ATOM 7 C PRO A 2 0.997 -9.526 -6.902 1.00 91.04 C +ATOM 8 O PRO A 2 0.126 -9.709 -6.051 1.00 88.95 O +ATOM 9 CB PRO A 2 0.498 -9.568 -9.363 1.00 88.49 C +ATOM 10 CG PRO A 2 -0.955 -9.877 -9.351 1.00 86.20 C +ATOM 11 CD PRO A 2 -1.069 -11.300 -8.888 1.00 87.77 C +HETATM 12 N HYP A 3 1.960 -8.616 -6.810 1.00 89.55 N +HETATM 13 CA HYP A 3 1.942 -7.716 -5.669 1.00 91.16 C +HETATM 14 C HYP A 3 0.655 -6.917 -5.600 1.00 90.59 C +HETATM 15 O HYP A 3 0.051 -6.624 -6.643 1.00 91.23 O +HETATM 16 CB HYP A 3 3.142 -6.791 -5.943 1.00 88.34 C +HETATM 17 CG HYP A 3 4.074 -7.647 -6.756 1.00 85.81 C +HETATM 18 CD HYP A 3 3.121 -8.460 -7.629 1.00 88.59 C +HETATM 19 OD1 HYP A 3 4.766 -8.508 -5.896 1.00 85.43 O +ATOM 20 N GLY A 4 0.259 -6.653 -4.396 1.00 91.61 N +ATOM 21 CA GLY A 4 -0.896 -5.827 -4.183 1.00 91.28 C +ATOM 22 C GLY A 4 -0.641 -4.390 -4.597 1.00 92.23 C +ATOM 23 O GLY A 4 0.478 -4.009 -4.939 1.00 91.54 O +ATOM 24 N PRO A 5 -1.678 -3.585 -4.576 1.00 90.23 N +ATOM 25 CA PRO A 5 -1.547 -2.192 -4.975 1.00 90.08 C +ATOM 26 C PRO A 5 -0.759 -1.387 -3.955 1.00 90.01 C +ATOM 27 O PRO A 5 -0.613 -1.783 -2.804 1.00 88.44 O +ATOM 28 CB PRO A 5 -2.996 -1.712 -5.061 1.00 88.43 C +ATOM 29 CG PRO A 5 -3.721 -2.586 -4.110 1.00 86.88 C +ATOM 30 CD PRO A 5 -3.038 -3.919 -4.162 1.00 88.33 C +HETATM 31 N HYP A 6 -0.215 -0.253 -4.421 1.00 89.08 N +HETATM 32 CA HYP A 6 0.433 0.650 -3.501 1.00 92.38 C +HETATM 33 C HYP A 6 -0.460 1.096 -2.396 1.00 90.55 C +HETATM 34 O HYP A 6 -1.691 1.181 -2.571 1.00 92.36 O +HETATM 35 CB HYP A 6 0.804 1.838 -4.431 1.00 89.32 C +HETATM 36 CG HYP A 6 0.960 1.200 -5.787 1.00 88.83 C +HETATM 37 CD HYP A 6 -0.136 0.181 -5.783 1.00 89.90 C +HETATM 38 OD1 HYP A 6 2.208 0.549 -5.859 1.00 86.69 O +ATOM 39 N GLY A 7 0.108 1.288 -1.251 1.00 92.74 N +ATOM 40 CA GLY A 7 -0.617 1.810 -0.132 1.00 92.67 C +ATOM 41 C GLY A 7 -1.107 3.218 -0.396 1.00 93.32 C +ATOM 42 O GLY A 7 -0.722 3.861 -1.371 1.00 92.99 O +ATOM 43 N PRO A 8 -1.960 3.697 0.458 1.00 93.22 N +ATOM 44 CA PRO A 8 -2.505 5.037 0.278 1.00 93.29 C +ATOM 45 C PRO A 8 -1.457 6.104 0.555 1.00 93.00 C +ATOM 46 O PRO A 8 -0.488 5.879 1.270 1.00 91.26 O +ATOM 47 CB PRO A 8 -3.643 5.098 1.286 1.00 91.68 C +ATOM 48 CG PRO A 8 -3.238 4.144 2.344 1.00 90.25 C +ATOM 49 CD PRO A 8 -2.478 3.044 1.651 1.00 92.59 C +HETATM 50 N HYP A 9 -1.677 7.289 -0.022 1.00 89.85 N +HETATM 51 CA HYP A 9 -0.795 8.365 0.235 1.00 91.25 C +HETATM 52 C HYP A 9 -0.850 8.784 1.678 1.00 90.49 C +HETATM 53 O HYP A 9 -1.896 8.719 2.322 1.00 91.27 O +HETATM 54 CB HYP A 9 -1.393 9.529 -0.592 1.00 87.49 C +HETATM 55 CG HYP A 9 -2.224 8.900 -1.603 1.00 87.31 C +HETATM 56 CD HYP A 9 -2.736 7.667 -0.948 1.00 90.08 C +HETATM 57 OD1 HYP A 9 -1.401 8.516 -2.693 1.00 87.78 O +ATOM 58 N GLY A 10 0.255 9.128 2.233 1.00 91.73 N +ATOM 59 CA GLY A 10 0.258 9.793 3.507 1.00 89.78 C +ATOM 60 C GLY A 10 -0.313 11.193 3.354 1.00 90.21 C +ATOM 61 O GLY A 10 -0.573 11.651 2.244 1.00 88.83 O +ATOM 62 N PRO A 11 -0.498 11.884 4.440 1.00 89.17 N +ATOM 63 CA PRO A 11 -0.963 13.270 4.330 1.00 89.66 C +ATOM 64 C PRO A 11 0.093 14.109 3.627 1.00 89.60 C +ATOM 65 O PRO A 11 1.099 14.481 4.217 1.00 87.03 O +ATOM 66 CB PRO A 11 -1.154 13.699 5.790 1.00 87.58 C +ATOM 67 CG PRO A 11 -1.165 12.442 6.572 1.00 86.33 C +ATOM 68 CD PRO A 11 -0.333 11.456 5.806 1.00 86.16 C +ATOM 69 N GLY A 12 -0.121 14.358 2.351 1.00 90.84 N +ATOM 70 CA GLY A 12 0.871 15.034 1.536 1.00 90.66 C +ATOM 71 C GLY A 12 2.039 14.162 1.128 1.00 91.52 C +ATOM 72 O GLY A 12 3.037 14.671 0.615 1.00 88.74 O +ATOM 73 N GLY A 13 1.930 12.866 1.333 1.00 92.13 N +ATOM 74 CA GLY A 13 3.021 11.953 1.076 1.00 90.91 C +ATOM 75 C GLY A 13 2.761 11.013 -0.077 1.00 92.16 C +ATOM 76 O GLY A 13 1.680 10.995 -0.663 1.00 91.67 O +ATOM 77 N PRO A 14 3.766 10.221 -0.423 1.00 92.62 N +ATOM 78 CA PRO A 14 3.669 9.306 -1.554 1.00 92.27 C +ATOM 79 C PRO A 14 2.865 8.063 -1.210 1.00 92.53 C +ATOM 80 O PRO A 14 2.608 7.767 -0.051 1.00 90.90 O +ATOM 81 CB PRO A 14 5.124 8.947 -1.842 1.00 90.71 C +ATOM 82 CG PRO A 14 5.773 9.017 -0.505 1.00 89.30 C +ATOM 83 CD PRO A 14 5.086 10.150 0.218 1.00 90.36 C +HETATM 84 N HYP A 15 2.492 7.359 -2.271 1.00 91.25 N +HETATM 85 CA HYP A 15 1.872 6.063 -2.061 1.00 92.86 C +HETATM 86 C HYP A 15 2.759 5.134 -1.314 1.00 93.46 C +HETATM 87 O HYP A 15 3.998 5.219 -1.401 1.00 91.85 O +HETATM 88 CB HYP A 15 1.663 5.615 -3.513 1.00 90.06 C +HETATM 89 CG HYP A 15 1.561 6.898 -4.311 1.00 88.05 C +HETATM 90 CD HYP A 15 2.558 7.789 -3.647 1.00 89.95 C +HETATM 91 OD1 HYP A 15 0.276 7.445 -4.170 1.00 87.96 O +ATOM 92 N GLY A 16 2.163 4.271 -0.553 1.00 93.12 N +ATOM 93 CA GLY A 16 2.904 3.236 0.117 1.00 92.56 C +ATOM 94 C GLY A 16 3.439 2.210 -0.860 1.00 93.21 C +ATOM 95 O GLY A 16 3.140 2.245 -2.056 1.00 92.55 O +ATOM 96 N PRO A 17 4.238 1.289 -0.356 1.00 92.11 N +ATOM 97 CA PRO A 17 4.812 0.261 -1.220 1.00 91.68 C +ATOM 98 C PRO A 17 3.761 -0.735 -1.681 1.00 92.00 C +ATOM 99 O PRO A 17 2.683 -0.836 -1.100 1.00 90.27 O +ATOM 100 CB PRO A 17 5.866 -0.400 -0.330 1.00 89.96 C +ATOM 101 CG PRO A 17 5.408 -0.134 1.051 1.00 88.22 C +ATOM 102 CD PRO A 17 4.663 1.159 1.029 1.00 89.56 C +HETATM 103 N HYP A 18 4.090 -1.468 -2.763 1.00 88.85 N +HETATM 104 CA HYP A 18 3.219 -2.518 -3.194 1.00 90.68 C +HETATM 105 C HYP A 18 2.976 -3.533 -2.133 1.00 91.16 C +HETATM 106 O HYP A 18 3.846 -3.802 -1.295 1.00 90.40 O +HETATM 107 CB HYP A 18 4.022 -3.117 -4.368 1.00 88.33 C +HETATM 108 CG HYP A 18 4.818 -1.964 -4.895 1.00 87.98 C +HETATM 109 CD HYP A 18 5.210 -1.254 -3.616 1.00 89.78 C +HETATM 110 OD1 HYP A 18 3.976 -1.118 -5.650 1.00 86.10 O +ATOM 111 N GLY A 19 1.790 -4.053 -2.135 1.00 90.84 N +ATOM 112 CA GLY A 19 1.449 -5.109 -1.228 1.00 91.16 C +ATOM 113 C GLY A 19 2.224 -6.374 -1.526 1.00 91.91 C +ATOM 114 O GLY A 19 2.927 -6.477 -2.528 1.00 91.63 O +ATOM 115 N PRO A 20 2.089 -7.358 -0.662 1.00 89.61 N +ATOM 116 CA PRO A 20 2.793 -8.615 -0.861 1.00 89.48 C +ATOM 117 C PRO A 20 2.196 -9.402 -2.012 1.00 89.41 C +ATOM 118 O PRO A 20 1.072 -9.143 -2.445 1.00 88.10 O +ATOM 119 CB PRO A 20 2.589 -9.335 0.467 1.00 87.40 C +ATOM 120 CG PRO A 20 1.305 -8.790 0.976 1.00 85.43 C +ATOM 121 CD PRO A 20 1.254 -7.359 0.525 1.00 87.22 C +HETATM 122 N HYP A 21 2.975 -10.352 -2.509 1.00 89.65 N +HETATM 123 CA HYP A 21 2.458 -11.236 -3.524 1.00 91.87 C +HETATM 124 C HYP A 21 1.198 -11.938 -3.090 1.00 89.77 C +HETATM 125 O HYP A 21 1.094 -12.317 -1.931 1.00 91.77 O +HETATM 126 CB HYP A 21 3.574 -12.228 -3.784 1.00 88.40 C +HETATM 127 CG HYP A 21 4.813 -11.481 -3.409 1.00 86.06 C +HETATM 128 CD HYP A 21 4.373 -10.646 -2.231 1.00 89.92 C +HETATM 129 OD1 HYP A 21 5.168 -10.606 -4.481 1.00 84.65 O +ATOM 130 N GLY A 22 0.252 -12.017 -3.986 1.00 91.04 N +ATOM 131 CA GLY A 22 -0.955 -12.740 -3.719 1.00 89.69 C +ATOM 132 C GLY A 22 -0.694 -14.230 -3.629 1.00 89.93 C +ATOM 133 O GLY A 22 0.406 -14.702 -3.908 1.00 88.70 O +ATOM 134 N PRO A 23 -1.709 -15.000 -3.263 1.00 90.42 N +ATOM 135 CA PRO A 23 -1.560 -16.452 -3.197 1.00 90.08 C +ATOM 136 C PRO A 23 -1.353 -17.008 -4.598 1.00 89.04 C +ATOM 137 O PRO A 23 -2.261 -16.937 -5.423 1.00 86.19 O +ATOM 138 CB PRO A 23 -2.878 -16.926 -2.600 1.00 87.60 C +ATOM 139 CG PRO A 23 -3.609 -15.702 -2.181 1.00 85.39 C +ATOM 140 CD PRO A 23 -3.032 -14.546 -2.921 1.00 87.01 C +HETATM 141 N HYP A 24 -0.233 -17.348 -4.978 1.00 93.36 N +HETATM 142 CA HYP A 24 0.196 -17.511 -6.373 1.00 89.73 C +HETATM 143 C HYP A 24 0.100 -16.427 -7.258 1.00 92.25 C +HETATM 144 O HYP A 24 -0.717 -16.511 -8.289 1.00 89.31 O +HETATM 145 CB HYP A 24 0.797 -18.769 -6.599 1.00 88.31 C +HETATM 146 CG HYP A 24 0.720 -19.461 -5.225 1.00 86.73 C +HETATM 147 CD HYP A 24 -0.176 -18.575 -4.352 1.00 90.28 C +HETATM 148 OD1 HYP A 24 1.989 -19.513 -4.603 1.00 87.05 O +HETATM 149 OXT HYP A 24 1.265 -15.918 -7.774 1.00 86.11 O +TER 150 HYP A 24 +END diff --git a/protein_pdb_223.txt b/protein_pdb_223.txt new file mode 100644 index 0000000000000000000000000000000000000000..8388189fa57199a344e1bc3d1820499eb7484c4e --- /dev/null +++ b/protein_pdb_223.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -13.519 30.527 -11.989 1.00 82.74 N +ATOM 2 CA GLY A 1 -12.886 30.351 -10.684 1.00 86.10 C +ATOM 3 C GLY A 1 -11.544 29.667 -10.807 1.00 87.40 C +ATOM 4 O GLY A 1 -11.183 29.192 -11.881 1.00 83.27 O +ATOM 5 N PRO A 2 -10.787 29.571 -9.726 1.00 86.01 N +ATOM 6 CA PRO A 2 -9.479 28.922 -9.752 1.00 89.07 C +ATOM 7 C PRO A 2 -9.614 27.419 -9.958 1.00 89.31 C +ATOM 8 O PRO A 2 -10.659 26.835 -9.700 1.00 86.17 O +ATOM 9 CB PRO A 2 -8.884 29.250 -8.387 1.00 84.60 C +ATOM 10 CG PRO A 2 -10.082 29.406 -7.515 1.00 81.18 C +ATOM 11 CD PRO A 2 -11.122 30.056 -8.386 1.00 82.59 C +HETATM 12 N HYP A 3 -8.604 26.877 -10.454 1.00 93.07 N +HETATM 13 CA HYP A 3 -8.517 25.379 -10.584 1.00 90.85 C +HETATM 14 C HYP A 3 -8.793 24.706 -9.280 1.00 92.07 C +HETATM 15 O HYP A 3 -8.457 25.238 -8.206 1.00 90.35 O +HETATM 16 CB HYP A 3 -7.097 25.195 -11.073 1.00 88.34 C +HETATM 17 CG HYP A 3 -6.720 26.481 -11.744 1.00 87.76 C +HETATM 18 CD HYP A 3 -7.395 27.528 -10.855 1.00 91.78 C +HETATM 19 OD1 HYP A 3 -7.242 26.573 -13.033 1.00 89.62 O +ATOM 20 N GLY A 4 -9.422 23.515 -9.358 1.00 93.84 N +ATOM 21 CA GLY A 4 -9.712 22.751 -8.173 1.00 92.85 C +ATOM 22 C GLY A 4 -8.439 22.240 -7.516 1.00 92.92 C +ATOM 23 O GLY A 4 -7.354 22.298 -8.108 1.00 92.13 O +ATOM 24 N PRO A 5 -8.562 21.725 -6.293 1.00 93.31 N +ATOM 25 CA PRO A 5 -7.389 21.204 -5.591 1.00 93.07 C +ATOM 26 C PRO A 5 -6.918 19.895 -6.202 1.00 93.30 C +ATOM 27 O PRO A 5 -7.654 19.224 -6.921 1.00 92.12 O +ATOM 28 CB PRO A 5 -7.900 21.002 -4.166 1.00 90.76 C +ATOM 29 CG PRO A 5 -9.348 20.711 -4.362 1.00 88.70 C +ATOM 30 CD PRO A 5 -9.778 21.583 -5.515 1.00 90.65 C +HETATM 31 N HYP A 6 -5.697 19.565 -5.939 1.00 94.07 N +HETATM 32 CA HYP A 6 -5.172 18.226 -6.309 1.00 93.65 C +HETATM 33 C HYP A 6 -5.999 17.117 -5.757 1.00 92.49 C +HETATM 34 O HYP A 6 -6.594 17.274 -4.670 1.00 91.07 O +HETATM 35 CB HYP A 6 -3.748 18.265 -5.718 1.00 91.72 C +HETATM 36 CG HYP A 6 -3.402 19.733 -5.698 1.00 88.69 C +HETATM 37 CD HYP A 6 -4.714 20.372 -5.312 1.00 92.76 C +HETATM 38 OD1 HYP A 6 -2.987 20.194 -6.948 1.00 88.33 O +ATOM 39 N GLY A 7 -6.100 15.993 -6.463 1.00 95.81 N +ATOM 40 CA GLY A 7 -6.872 14.857 -6.026 1.00 95.36 C +ATOM 41 C GLY A 7 -6.289 14.230 -4.774 1.00 95.70 C +ATOM 42 O GLY A 7 -5.179 14.559 -4.356 1.00 95.34 O +ATOM 43 N PRO A 8 -7.037 13.309 -4.171 1.00 94.30 N +ATOM 44 CA PRO A 8 -6.563 12.632 -2.968 1.00 94.56 C +ATOM 45 C PRO A 8 -5.448 11.650 -3.298 1.00 94.61 C +ATOM 46 O PRO A 8 -5.265 11.254 -4.441 1.00 93.76 O +ATOM 47 CB PRO A 8 -7.807 11.918 -2.449 1.00 93.04 C +ATOM 48 CG PRO A 8 -8.578 11.634 -3.692 1.00 91.56 C +ATOM 49 CD PRO A 8 -8.348 12.837 -4.575 1.00 92.71 C +HETATM 50 N HYP A 9 -4.720 11.252 -2.313 1.00 94.28 N +HETATM 51 CA HYP A 9 -3.711 10.210 -2.456 1.00 94.29 C +HETATM 52 C HYP A 9 -4.285 8.924 -2.923 1.00 95.59 C +HETATM 53 O HYP A 9 -5.432 8.603 -2.580 1.00 92.60 O +HETATM 54 CB HYP A 9 -3.188 10.016 -0.980 1.00 92.45 C +HETATM 55 CG HYP A 9 -3.452 11.337 -0.340 1.00 90.11 C +HETATM 56 CD HYP A 9 -4.761 11.759 -0.987 1.00 93.24 C +HETATM 57 OD1 HYP A 9 -2.442 12.270 -0.698 1.00 88.31 O +ATOM 58 N GLY A 10 -3.557 8.190 -3.720 1.00 95.90 N +ATOM 59 CA GLY A 10 -4.010 6.908 -4.207 1.00 95.15 C +ATOM 60 C GLY A 10 -4.157 5.899 -3.079 1.00 95.24 C +ATOM 61 O GLY A 10 -3.781 6.168 -1.935 1.00 94.70 O +ATOM 62 N PRO A 11 -4.692 4.709 -3.393 1.00 93.84 N +ATOM 63 CA PRO A 11 -4.868 3.700 -2.359 1.00 93.38 C +ATOM 64 C PRO A 11 -3.539 3.164 -1.859 1.00 92.97 C +ATOM 65 O PRO A 11 -2.523 3.188 -2.558 1.00 90.29 O +ATOM 66 CB PRO A 11 -5.681 2.608 -3.061 1.00 91.44 C +ATOM 67 CG PRO A 11 -5.327 2.771 -4.493 1.00 91.27 C +ATOM 68 CD PRO A 11 -5.158 4.254 -4.694 1.00 92.74 C +ATOM 69 N LEU A 12 -3.553 2.659 -0.632 1.00 92.64 N +ATOM 70 CA LEU A 12 -2.368 2.061 -0.046 1.00 92.08 C +ATOM 71 C LEU A 12 -1.982 0.831 -0.863 1.00 92.45 C +ATOM 72 O LEU A 12 -2.847 0.076 -1.311 1.00 89.73 O +ATOM 73 CB LEU A 12 -2.663 1.663 1.409 1.00 88.67 C +ATOM 74 CG LEU A 12 -1.507 1.073 2.214 1.00 81.04 C +ATOM 75 CD1 LEU A 12 -0.385 2.075 2.358 1.00 78.77 C +ATOM 76 CD2 LEU A 12 -2.009 0.640 3.583 1.00 75.93 C +ATOM 77 N GLY A 13 -0.687 0.658 -1.062 1.00 93.96 N +ATOM 78 CA GLY A 13 -0.206 -0.487 -1.812 1.00 93.37 C +ATOM 79 C GLY A 13 -0.497 -1.802 -1.121 1.00 94.01 C +ATOM 80 O GLY A 13 -0.871 -1.836 0.052 1.00 93.67 O +ATOM 81 N PRO A 14 -0.325 -2.923 -1.830 1.00 92.43 N +ATOM 82 CA PRO A 14 -0.595 -4.236 -1.246 1.00 92.67 C +ATOM 83 C PRO A 14 0.440 -4.602 -0.191 1.00 92.82 C +ATOM 84 O PRO A 14 1.538 -4.056 -0.167 1.00 91.72 O +ATOM 85 CB PRO A 14 -0.527 -5.183 -2.445 1.00 91.24 C +ATOM 86 CG PRO A 14 0.417 -4.503 -3.369 1.00 90.54 C +ATOM 87 CD PRO A 14 0.128 -3.032 -3.214 1.00 91.33 C +HETATM 88 N HYP A 15 0.095 -5.557 0.673 1.00 90.18 N +HETATM 89 CA HYP A 15 1.033 -6.065 1.648 1.00 90.65 C +HETATM 90 C HYP A 15 2.259 -6.682 0.985 1.00 94.15 C +HETATM 91 O HYP A 15 2.160 -7.182 -0.139 1.00 83.05 O +HETATM 92 CB HYP A 15 0.201 -7.154 2.346 1.00 89.94 C +HETATM 93 CG HYP A 15 -1.229 -6.670 2.178 1.00 86.58 C +HETATM 94 CD HYP A 15 -1.211 -6.123 0.804 1.00 89.82 C +HETATM 95 OD1 HYP A 15 -1.562 -5.649 3.093 1.00 89.56 O +ATOM 96 N GLY A 16 3.367 -6.606 1.624 1.00 95.24 N +ATOM 97 CA GLY A 16 4.552 -7.228 1.108 1.00 94.59 C +ATOM 98 C GLY A 16 4.423 -8.745 1.109 1.00 95.03 C +ATOM 99 O GLY A 16 3.472 -9.297 1.665 1.00 94.61 O +ATOM 100 N PRO A 17 5.384 -9.431 0.489 1.00 89.82 N +ATOM 101 CA PRO A 17 5.336 -10.889 0.434 1.00 90.26 C +ATOM 102 C PRO A 17 5.611 -11.506 1.802 1.00 90.22 C +ATOM 103 O PRO A 17 6.173 -10.869 2.679 1.00 89.10 O +ATOM 104 CB PRO A 17 6.425 -11.240 -0.569 1.00 88.10 C +ATOM 105 CG PRO A 17 7.399 -10.122 -0.433 1.00 86.56 C +ATOM 106 CD PRO A 17 6.558 -8.896 -0.203 1.00 87.78 C +HETATM 107 N HYP A 18 5.229 -12.743 1.976 1.00 92.45 N +HETATM 108 CA HYP A 18 5.538 -13.484 3.170 1.00 92.07 C +HETATM 109 C HYP A 18 7.024 -13.556 3.424 1.00 92.55 C +HETATM 110 O HYP A 18 7.812 -13.637 2.472 1.00 89.28 O +HETATM 111 CB HYP A 18 4.949 -14.854 2.910 1.00 91.71 C +HETATM 112 CG HYP A 18 3.821 -14.613 1.942 1.00 89.71 C +HETATM 113 CD HYP A 18 4.375 -13.511 1.091 1.00 90.12 C +HETATM 114 OD1 HYP A 18 2.654 -14.156 2.593 1.00 90.66 O +ATOM 115 N GLY A 19 7.425 -13.517 4.667 1.00 91.52 N +ATOM 116 CA GLY A 19 8.814 -13.596 5.018 1.00 90.76 C +ATOM 117 C GLY A 19 9.405 -14.944 4.626 1.00 91.22 C +ATOM 118 O GLY A 19 8.678 -15.869 4.253 1.00 90.68 O +ATOM 119 N PRO A 20 10.725 -15.067 4.725 1.00 89.91 N +ATOM 120 CA PRO A 20 11.372 -16.321 4.367 1.00 89.58 C +ATOM 121 C PRO A 20 11.068 -17.413 5.386 1.00 89.31 C +ATOM 122 O PRO A 20 10.688 -17.129 6.517 1.00 87.14 O +ATOM 123 CB PRO A 20 12.851 -15.959 4.355 1.00 86.60 C +ATOM 124 CG PRO A 20 12.944 -14.848 5.336 1.00 84.30 C +ATOM 125 CD PRO A 20 11.674 -14.050 5.157 1.00 87.02 C +HETATM 126 N HYP A 21 11.265 -18.649 5.024 1.00 93.96 N +HETATM 127 CA HYP A 21 11.078 -19.782 5.903 1.00 92.29 C +HETATM 128 C HYP A 21 12.012 -19.717 7.106 1.00 94.49 C +HETATM 129 O HYP A 21 13.138 -19.208 6.974 1.00 91.56 O +HETATM 130 CB HYP A 21 11.481 -20.996 5.048 1.00 92.22 C +HETATM 131 CG HYP A 21 11.251 -20.553 3.625 1.00 91.62 C +HETATM 132 CD HYP A 21 11.610 -19.089 3.682 1.00 93.34 C +HETATM 133 OD1 HYP A 21 9.873 -20.665 3.284 1.00 89.79 O +ATOM 134 N GLY A 22 11.563 -20.121 8.246 1.00 87.44 N +ATOM 135 CA GLY A 22 12.393 -20.147 9.421 1.00 86.18 C +ATOM 136 C GLY A 22 13.526 -21.151 9.253 1.00 86.70 C +ATOM 137 O GLY A 22 13.557 -21.916 8.294 1.00 84.85 O +ATOM 138 N PRO A 23 14.476 -21.186 10.205 1.00 88.03 N +ATOM 139 CA PRO A 23 15.597 -22.116 10.107 1.00 88.48 C +ATOM 140 C PRO A 23 15.125 -23.550 10.293 1.00 88.04 C +ATOM 141 O PRO A 23 14.106 -23.811 10.930 1.00 83.91 O +ATOM 142 CB PRO A 23 16.524 -21.670 11.227 1.00 83.93 C +ATOM 143 CG PRO A 23 15.614 -21.031 12.212 1.00 80.37 C +ATOM 144 CD PRO A 23 14.549 -20.355 11.399 1.00 82.91 C +HETATM 145 N HYP A 24 15.869 -24.523 9.826 1.00 89.09 N +HETATM 146 CA HYP A 24 15.473 -25.918 9.968 1.00 85.01 C +HETATM 147 C HYP A 24 15.454 -26.293 11.420 1.00 88.26 C +HETATM 148 O HYP A 24 16.361 -25.859 12.166 1.00 84.94 O +HETATM 149 CB HYP A 24 16.598 -26.734 9.257 1.00 88.50 C +HETATM 150 CG HYP A 24 17.275 -25.746 8.345 1.00 84.88 C +HETATM 151 CD HYP A 24 17.114 -24.408 9.066 1.00 87.95 C +HETATM 152 OD1 HYP A 24 16.565 -25.699 7.127 1.00 82.61 O +HETATM 153 OXT HYP A 24 14.513 -27.021 11.788 1.00 79.63 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_224.txt b/protein_pdb_224.txt new file mode 100644 index 0000000000000000000000000000000000000000..3808e510d45c0827f47b729f2c12357d07caafcc --- /dev/null +++ b/protein_pdb_224.txt @@ -0,0 +1,179 @@ +ATOM 1 N GLY A 1 31.476 -0.523 14.442 1.00 79.51 N +ATOM 2 CA GLY A 1 30.431 0.071 15.309 1.00 82.54 C +ATOM 3 C GLY A 1 29.083 -0.591 15.061 1.00 82.63 C +ATOM 4 O GLY A 1 28.935 -1.248 14.026 1.00 79.26 O +ATOM 5 N PRO A 2 28.092 -0.437 15.960 1.00 85.99 N +ATOM 6 CA PRO A 2 26.747 -0.971 15.764 1.00 88.55 C +ATOM 7 C PRO A 2 26.083 -0.346 14.527 1.00 88.25 C +ATOM 8 O PRO A 2 26.340 0.811 14.181 1.00 84.51 O +ATOM 9 CB PRO A 2 25.998 -0.665 17.068 1.00 86.50 C +ATOM 10 CG PRO A 2 26.716 0.560 17.623 1.00 82.07 C +ATOM 11 CD PRO A 2 28.165 0.352 17.193 1.00 84.47 C +ATOM 12 N ARG A 3 25.185 -1.106 13.832 1.00 88.09 N +ATOM 13 CA ARG A 3 24.376 -0.573 12.718 1.00 91.19 C +ATOM 14 C ARG A 3 23.430 0.509 13.238 1.00 91.98 C +ATOM 15 O ARG A 3 22.809 0.345 14.281 1.00 89.01 O +ATOM 16 CB ARG A 3 23.583 -1.691 12.029 1.00 87.81 C +ATOM 17 CG ARG A 3 24.373 -2.339 10.884 1.00 79.61 C +ATOM 18 CD ARG A 3 23.532 -3.399 10.196 1.00 79.38 C +ATOM 19 NE ARG A 3 24.180 -3.892 8.963 1.00 75.24 N +ATOM 20 CZ ARG A 3 23.776 -4.903 8.216 1.00 72.71 C +ATOM 21 NH1 ARG A 3 22.730 -5.614 8.530 1.00 69.95 N +ATOM 22 NH2 ARG A 3 24.418 -5.220 7.129 1.00 65.08 N +ATOM 23 N GLY A 4 23.277 1.598 12.473 1.00 93.74 N +ATOM 24 CA GLY A 4 22.316 2.656 12.772 1.00 95.13 C +ATOM 25 C GLY A 4 20.866 2.159 12.735 1.00 96.21 C +ATOM 26 O GLY A 4 20.580 1.090 12.179 1.00 96.13 O +ATOM 27 N PRO A 5 19.921 2.943 13.299 1.00 93.27 N +ATOM 28 CA PRO A 5 18.505 2.597 13.320 1.00 94.56 C +ATOM 29 C PRO A 5 17.943 2.483 11.895 1.00 95.06 C +ATOM 30 O PRO A 5 18.385 3.164 10.962 1.00 94.00 O +ATOM 31 CB PRO A 5 17.818 3.709 14.131 1.00 93.10 C +ATOM 32 CG PRO A 5 18.744 4.903 13.948 1.00 88.64 C +ATOM 33 CD PRO A 5 20.135 4.266 13.878 1.00 91.67 C +ATOM 34 N ARG A 6 16.914 1.614 11.704 1.00 94.58 N +ATOM 35 CA ARG A 6 16.208 1.479 10.423 1.00 94.95 C +ATOM 36 C ARG A 6 15.416 2.752 10.135 1.00 95.49 C +ATOM 37 O ARG A 6 14.736 3.268 11.012 1.00 93.54 O +ATOM 38 CB ARG A 6 15.318 0.223 10.466 1.00 92.89 C +ATOM 39 CG ARG A 6 14.853 -0.194 9.070 1.00 83.52 C +ATOM 40 CD ARG A 6 14.081 -1.508 9.153 1.00 82.58 C +ATOM 41 NE ARG A 6 13.779 -2.043 7.819 1.00 78.01 N +ATOM 42 CZ ARG A 6 13.248 -3.226 7.554 1.00 74.84 C +ATOM 43 NH1 ARG A 6 12.876 -4.036 8.507 1.00 72.01 N +ATOM 44 NH2 ARG A 6 13.076 -3.607 6.333 1.00 67.42 N +ATOM 45 N GLY A 7 15.477 3.243 8.902 1.00 96.81 N +ATOM 46 CA GLY A 7 14.733 4.437 8.482 1.00 97.20 C +ATOM 47 C GLY A 7 13.210 4.267 8.598 1.00 97.74 C +ATOM 48 O GLY A 7 12.710 3.140 8.691 1.00 97.58 O +ATOM 49 N PRO A 8 12.458 5.392 8.565 1.00 95.36 N +ATOM 50 CA PRO A 8 11.007 5.381 8.652 1.00 95.98 C +ATOM 51 C PRO A 8 10.395 4.611 7.475 1.00 96.19 C +ATOM 52 O PRO A 8 10.947 4.543 6.377 1.00 94.97 O +ATOM 53 CB PRO A 8 10.579 6.855 8.669 1.00 94.51 C +ATOM 54 CG PRO A 8 11.716 7.563 7.933 1.00 90.93 C +ATOM 55 CD PRO A 8 12.947 6.749 8.350 1.00 94.44 C +ATOM 56 N ARG A 9 9.186 4.021 7.693 1.00 94.78 N +ATOM 57 CA ARG A 9 8.424 3.349 6.634 1.00 94.97 C +ATOM 58 C ARG A 9 7.923 4.390 5.632 1.00 95.59 C +ATOM 59 O ARG A 9 7.415 5.429 6.028 1.00 93.46 O +ATOM 60 CB ARG A 9 7.290 2.530 7.268 1.00 92.72 C +ATOM 61 CG ARG A 9 6.684 1.532 6.270 1.00 79.75 C +ATOM 62 CD ARG A 9 5.654 0.659 6.980 1.00 79.77 C +ATOM 63 NE ARG A 9 5.138 -0.403 6.085 1.00 74.51 N +ATOM 64 CZ ARG A 9 4.307 -1.370 6.427 1.00 70.21 C +ATOM 65 NH1 ARG A 9 3.819 -1.446 7.634 1.00 67.69 N +ATOM 66 NH2 ARG A 9 3.963 -2.270 5.562 1.00 62.34 N +ATOM 67 N GLY A 10 8.037 4.096 4.341 1.00 96.50 N +ATOM 68 CA GLY A 10 7.531 4.971 3.280 1.00 96.73 C +ATOM 69 C GLY A 10 6.004 5.153 3.328 1.00 97.31 C +ATOM 70 O GLY A 10 5.301 4.359 3.973 1.00 96.98 O +ATOM 71 N PRO A 11 5.474 6.189 2.626 1.00 95.05 N +ATOM 72 CA PRO A 11 4.051 6.461 2.563 1.00 95.69 C +ATOM 73 C PRO A 11 3.288 5.287 1.931 1.00 95.95 C +ATOM 74 O PRO A 11 3.821 4.522 1.121 1.00 94.24 O +ATOM 75 CB PRO A 11 3.914 7.745 1.736 1.00 94.01 C +ATOM 76 CG PRO A 11 5.163 7.738 0.853 1.00 90.17 C +ATOM 77 CD PRO A 11 6.210 7.096 1.759 1.00 94.08 C +ATOM 78 N ARG A 12 1.988 5.127 2.301 1.00 95.05 N +ATOM 79 CA ARG A 12 1.112 4.127 1.687 1.00 95.27 C +ATOM 80 C ARG A 12 0.824 4.521 0.242 1.00 95.77 C +ATOM 81 O ARG A 12 0.547 5.685 -0.042 1.00 94.03 O +ATOM 82 CB ARG A 12 -0.163 3.985 2.537 1.00 93.40 C +ATOM 83 CG ARG A 12 -0.962 2.735 2.161 1.00 81.52 C +ATOM 84 CD ARG A 12 -2.130 2.558 3.121 1.00 80.18 C +ATOM 85 NE ARG A 12 -2.856 1.300 2.872 1.00 74.83 N +ATOM 86 CZ ARG A 12 -3.824 0.800 3.605 1.00 70.84 C +ATOM 87 NH1 ARG A 12 -4.283 1.419 4.657 1.00 68.67 N +ATOM 88 NH2 ARG A 12 -4.365 -0.351 3.301 1.00 63.68 N +ATOM 89 N GLY A 13 0.871 3.557 -0.670 1.00 96.24 N +ATOM 90 CA GLY A 13 0.538 3.783 -2.075 1.00 96.43 C +ATOM 91 C GLY A 13 -0.920 4.206 -2.288 1.00 96.80 C +ATOM 92 O GLY A 13 -1.758 4.036 -1.395 1.00 96.24 O +ATOM 93 N PRO A 14 -1.246 4.736 -3.496 1.00 94.25 N +ATOM 94 CA PRO A 14 -2.596 5.139 -3.852 1.00 94.66 C +ATOM 95 C PRO A 14 -3.565 3.943 -3.803 1.00 94.99 C +ATOM 96 O PRO A 14 -3.171 2.782 -3.969 1.00 92.99 O +ATOM 97 CB PRO A 14 -2.494 5.741 -5.257 1.00 92.97 C +ATOM 98 CG PRO A 14 -1.268 5.055 -5.849 1.00 88.90 C +ATOM 99 CD PRO A 14 -0.349 4.877 -4.638 1.00 92.62 C +ATOM 100 N ARG A 15 -4.878 4.223 -3.583 1.00 94.29 N +ATOM 101 CA ARG A 15 -5.925 3.198 -3.632 1.00 94.59 C +ATOM 102 C ARG A 15 -6.081 2.700 -5.065 1.00 94.59 C +ATOM 103 O ARG A 15 -6.117 3.502 -5.993 1.00 91.82 O +ATOM 104 CB ARG A 15 -7.224 3.780 -3.055 1.00 92.37 C +ATOM 105 CG ARG A 15 -8.219 2.672 -2.686 1.00 80.94 C +ATOM 106 CD ARG A 15 -9.438 3.288 -1.998 1.00 79.48 C +ATOM 107 NE ARG A 15 -10.310 2.257 -1.418 1.00 74.53 N +ATOM 108 CZ ARG A 15 -11.388 2.468 -0.681 1.00 70.16 C +ATOM 109 NH1 ARG A 15 -11.824 3.674 -0.439 1.00 67.73 N +ATOM 110 NH2 ARG A 15 -12.056 1.465 -0.175 1.00 62.90 N +ATOM 111 N GLY A 16 -6.183 1.394 -5.250 1.00 95.83 N +ATOM 112 CA GLY A 16 -6.419 0.799 -6.561 1.00 95.74 C +ATOM 113 C GLY A 16 -7.780 1.197 -7.150 1.00 96.14 C +ATOM 114 O GLY A 16 -8.664 1.660 -6.424 1.00 95.47 O +ATOM 115 N PRO A 17 -7.963 1.006 -8.491 1.00 94.65 N +ATOM 116 CA PRO A 17 -9.226 1.280 -9.170 1.00 94.59 C +ATOM 117 C PRO A 17 -10.357 0.411 -8.596 1.00 94.57 C +ATOM 118 O PRO A 17 -10.129 -0.672 -8.048 1.00 92.65 O +ATOM 119 CB PRO A 17 -8.967 0.989 -10.649 1.00 92.86 C +ATOM 120 CG PRO A 17 -7.845 -0.036 -10.619 1.00 89.06 C +ATOM 121 CD PRO A 17 -7.017 0.389 -9.406 1.00 92.71 C +ATOM 122 N ARG A 18 -11.621 0.888 -8.728 1.00 91.46 N +ATOM 123 CA ARG A 18 -12.802 0.113 -8.354 1.00 91.98 C +ATOM 124 C ARG A 18 -12.938 -1.085 -9.290 1.00 91.87 C +ATOM 125 O ARG A 18 -12.790 -0.931 -10.498 1.00 87.81 O +ATOM 126 CB ARG A 18 -14.040 1.026 -8.368 1.00 89.36 C +ATOM 127 CG ARG A 18 -15.235 0.376 -7.660 1.00 78.05 C +ATOM 128 CD ARG A 18 -16.396 1.363 -7.595 1.00 77.05 C +ATOM 129 NE ARG A 18 -17.513 0.829 -6.795 1.00 73.00 N +ATOM 130 CZ ARG A 18 -18.646 1.458 -6.511 1.00 69.25 C +ATOM 131 NH1 ARG A 18 -18.889 2.655 -6.967 1.00 67.14 N +ATOM 132 NH2 ARG A 18 -19.536 0.901 -5.756 1.00 62.39 N +ATOM 133 N GLY A 19 -13.217 -2.257 -8.751 1.00 95.01 N +ATOM 134 CA GLY A 19 -13.444 -3.460 -9.546 1.00 94.92 C +ATOM 135 C GLY A 19 -14.665 -3.330 -10.465 1.00 95.33 C +ATOM 136 O GLY A 19 -15.513 -2.457 -10.252 1.00 94.55 O +ATOM 137 N PRO A 20 -14.774 -4.209 -11.506 1.00 93.26 N +ATOM 138 CA PRO A 20 -15.916 -4.242 -12.407 1.00 92.95 C +ATOM 139 C PRO A 20 -17.213 -4.529 -11.639 1.00 92.66 C +ATOM 140 O PRO A 20 -17.196 -5.134 -10.559 1.00 90.23 O +ATOM 141 CB PRO A 20 -15.592 -5.335 -13.440 1.00 90.72 C +ATOM 142 CG PRO A 20 -14.659 -6.277 -12.682 1.00 86.48 C +ATOM 143 CD PRO A 20 -13.873 -5.328 -11.780 1.00 90.34 C +ATOM 144 N ARG A 21 -18.372 -4.073 -12.196 1.00 85.46 N +ATOM 145 CA ARG A 21 -19.687 -4.475 -11.674 1.00 87.19 C +ATOM 146 C ARG A 21 -19.870 -5.975 -11.880 1.00 86.96 C +ATOM 147 O ARG A 21 -19.485 -6.494 -12.924 1.00 82.80 O +ATOM 148 CB ARG A 21 -20.813 -3.682 -12.349 1.00 83.34 C +ATOM 149 CG ARG A 21 -20.893 -2.240 -11.816 1.00 72.59 C +ATOM 150 CD ARG A 21 -22.075 -1.514 -12.449 1.00 70.89 C +ATOM 151 NE ARG A 21 -22.288 -0.184 -11.852 1.00 68.19 N +ATOM 152 CZ ARG A 21 -23.207 0.699 -12.222 1.00 64.22 C +ATOM 153 NH1 ARG A 21 -24.013 0.464 -13.215 1.00 62.30 N +ATOM 154 NH2 ARG A 21 -23.319 1.828 -11.594 1.00 57.77 N +ATOM 155 N GLY A 22 -20.418 -6.654 -10.889 1.00 92.13 N +ATOM 156 CA GLY A 22 -20.761 -8.066 -10.993 1.00 92.32 C +ATOM 157 C GLY A 22 -21.826 -8.325 -12.065 1.00 92.03 C +ATOM 158 O GLY A 22 -22.488 -7.377 -12.510 1.00 90.70 O +ATOM 159 N PRO A 23 -21.996 -9.604 -12.497 1.00 91.55 N +ATOM 160 CA PRO A 23 -23.052 -10.006 -13.412 1.00 91.46 C +ATOM 161 C PRO A 23 -24.435 -9.688 -12.817 1.00 89.76 C +ATOM 162 O PRO A 23 -24.599 -9.656 -11.589 1.00 85.98 O +ATOM 163 CB PRO A 23 -22.837 -11.498 -13.655 1.00 88.62 C +ATOM 164 CG PRO A 23 -22.133 -11.977 -12.383 1.00 84.46 C +ATOM 165 CD PRO A 23 -21.296 -10.777 -11.979 1.00 87.37 C +ATOM 166 N ARG A 24 -25.400 -9.395 -13.695 1.00 88.64 N +ATOM 167 CA ARG A 24 -26.819 -9.262 -13.339 1.00 88.00 C +ATOM 168 C ARG A 24 -27.492 -10.632 -13.388 1.00 82.44 C +ATOM 169 O ARG A 24 -27.045 -11.461 -14.192 1.00 78.38 O +ATOM 170 CB ARG A 24 -27.547 -8.299 -14.292 1.00 82.38 C +ATOM 171 CG ARG A 24 -27.113 -6.826 -14.120 1.00 74.60 C +ATOM 172 CD ARG A 24 -27.961 -5.959 -15.049 1.00 70.09 C +ATOM 173 NE ARG A 24 -27.614 -4.532 -14.936 1.00 68.50 N +ATOM 174 CZ ARG A 24 -28.069 -3.570 -15.719 1.00 65.24 C +ATOM 175 NH1 ARG A 24 -28.906 -3.807 -16.695 1.00 67.28 N +ATOM 176 NH2 ARG A 24 -27.694 -2.347 -15.525 1.00 57.46 N +ATOM 177 OXT ARG A 24 -28.482 -10.786 -12.619 1.00 67.95 O +TER 178 ARG A 24 +END diff --git a/protein_pdb_225.txt b/protein_pdb_225.txt new file mode 100644 index 0000000000000000000000000000000000000000..b2c6fabea1e6539167588843bb3288eb0ab06681 --- /dev/null +++ b/protein_pdb_225.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 7.588 -0.068 -13.075 1.00 85.61 N +ATOM 2 CA GLY A 1 7.907 1.084 -12.261 1.00 86.84 C +ATOM 3 C GLY A 1 8.085 0.704 -10.817 1.00 87.43 C +ATOM 4 O GLY A 1 7.986 -0.468 -10.458 1.00 84.53 O +ATOM 5 N PRO A 2 8.310 1.673 -9.880 1.00 84.51 N +ATOM 6 CA PRO A 2 8.508 1.393 -8.465 1.00 85.89 C +ATOM 7 C PRO A 2 7.219 0.980 -7.782 1.00 85.63 C +ATOM 8 O PRO A 2 6.130 1.189 -8.296 1.00 82.74 O +ATOM 9 CB PRO A 2 9.027 2.721 -7.924 1.00 82.20 C +ATOM 10 CG PRO A 2 8.417 3.728 -8.825 1.00 79.40 C +ATOM 11 CD PRO A 2 8.444 3.093 -10.186 1.00 80.42 C +HETATM 12 N HYP A 3 7.380 0.370 -6.624 1.00 86.07 N +HETATM 13 CA HYP A 3 6.188 0.017 -5.832 1.00 84.25 C +HETATM 14 C HYP A 3 5.398 1.250 -5.486 1.00 86.65 C +HETATM 15 O HYP A 3 5.969 2.356 -5.362 1.00 89.78 O +HETATM 16 CB HYP A 3 6.832 -0.589 -4.536 1.00 85.28 C +HETATM 17 CG HYP A 3 8.145 -1.179 -5.028 1.00 81.75 C +HETATM 18 CD HYP A 3 8.608 -0.120 -6.057 1.00 86.74 C +HETATM 19 OD1 HYP A 3 7.879 -2.377 -5.690 1.00 85.44 O +ATOM 20 N GLY A 4 4.083 1.055 -5.442 1.00 91.20 N +ATOM 21 CA GLY A 4 3.212 2.139 -5.098 1.00 91.25 C +ATOM 22 C GLY A 4 3.393 2.551 -3.649 1.00 91.74 C +ATOM 23 O GLY A 4 4.073 1.879 -2.876 1.00 92.09 O +ATOM 24 N PRO A 5 2.783 3.672 -3.270 1.00 87.00 N +ATOM 25 CA PRO A 5 2.902 4.147 -1.902 1.00 87.28 C +ATOM 26 C PRO A 5 2.115 3.280 -0.938 1.00 86.71 C +ATOM 27 O PRO A 5 1.233 2.525 -1.340 1.00 85.78 O +ATOM 28 CB PRO A 5 2.345 5.560 -1.977 1.00 85.10 C +ATOM 29 CG PRO A 5 1.340 5.474 -3.070 1.00 83.30 C +ATOM 30 CD PRO A 5 1.964 4.559 -4.087 1.00 85.44 C +HETATM 31 N HYP A 6 2.466 3.396 0.335 1.00 89.19 N +HETATM 32 CA HYP A 6 1.702 2.681 1.345 1.00 91.85 C +HETATM 33 C HYP A 6 0.269 3.121 1.382 1.00 90.76 C +HETATM 34 O HYP A 6 -0.053 4.292 1.079 1.00 90.47 O +HETATM 35 CB HYP A 6 2.421 3.168 2.653 1.00 83.97 C +HETATM 36 CG HYP A 6 3.821 3.502 2.203 1.00 84.02 C +HETATM 37 CD HYP A 6 3.589 4.133 0.840 1.00 87.46 C +HETATM 38 OD1 HYP A 6 4.558 2.299 2.048 1.00 86.03 O +ATOM 39 N GLY A 7 -0.581 2.175 1.656 1.00 91.31 N +ATOM 40 CA GLY A 7 -1.980 2.468 1.747 1.00 90.36 C +ATOM 41 C GLY A 7 -2.274 3.325 2.963 1.00 90.82 C +ATOM 42 O GLY A 7 -1.412 3.548 3.811 1.00 90.21 O +ATOM 43 N PRO A 8 -3.491 3.811 3.054 1.00 89.52 N +ATOM 44 CA PRO A 8 -3.870 4.633 4.193 1.00 89.36 C +ATOM 45 C PRO A 8 -4.056 3.784 5.441 1.00 89.21 C +ATOM 46 O PRO A 8 -4.179 2.565 5.364 1.00 87.66 O +ATOM 47 CB PRO A 8 -5.178 5.266 3.747 1.00 86.98 C +ATOM 48 CG PRO A 8 -5.761 4.225 2.859 1.00 85.66 C +ATOM 49 CD PRO A 8 -4.585 3.661 2.112 1.00 87.31 C +HETATM 50 N HYP A 9 -4.061 4.450 6.605 1.00 88.87 N +HETATM 51 CA HYP A 9 -4.353 3.755 7.812 1.00 88.89 C +HETATM 52 C HYP A 9 -5.723 3.154 7.823 1.00 89.65 C +HETATM 53 O HYP A 9 -6.652 3.691 7.200 1.00 88.83 O +HETATM 54 CB HYP A 9 -4.280 4.898 8.878 1.00 83.59 C +HETATM 55 CG HYP A 9 -3.349 5.887 8.299 1.00 82.80 C +HETATM 56 CD HYP A 9 -3.672 5.863 6.843 1.00 87.45 C +HETATM 57 OD1 HYP A 9 -2.022 5.430 8.486 1.00 81.70 O +ATOM 58 N GLY A 10 -5.895 2.027 8.450 1.00 90.43 N +ATOM 59 CA GLY A 10 -7.202 1.433 8.586 1.00 87.47 C +ATOM 60 C GLY A 10 -8.025 2.264 9.550 1.00 88.03 C +ATOM 61 O GLY A 10 -7.622 3.352 9.959 1.00 85.95 O +ATOM 62 N ILE A 11 -9.173 1.747 9.945 1.00 90.84 N +ATOM 63 CA ILE A 11 -9.999 2.456 10.913 1.00 92.01 C +ATOM 64 C ILE A 11 -9.151 2.781 12.136 1.00 91.65 C +ATOM 65 O ILE A 11 -9.151 3.901 12.635 1.00 89.28 O +ATOM 66 CB ILE A 11 -11.226 1.623 11.298 1.00 91.01 C +ATOM 67 CG1 ILE A 11 -12.090 1.377 10.056 1.00 87.19 C +ATOM 68 CG2 ILE A 11 -12.032 2.330 12.379 1.00 85.36 C +ATOM 69 CD1 ILE A 11 -13.213 0.391 10.285 1.00 80.36 C +ATOM 70 N ILE A 12 -8.423 1.777 12.590 1.00 91.88 N +ATOM 71 CA ILE A 12 -7.443 1.900 13.663 1.00 93.06 C +ATOM 72 C ILE A 12 -6.352 0.918 13.282 1.00 92.88 C +ATOM 73 O ILE A 12 -6.478 -0.278 13.513 1.00 89.19 O +ATOM 74 CB ILE A 12 -8.006 1.527 15.050 1.00 91.28 C +ATOM 75 CG1 ILE A 12 -9.189 2.430 15.426 1.00 86.36 C +ATOM 76 CG2 ILE A 12 -6.906 1.634 16.098 1.00 84.16 C +ATOM 77 CD1 ILE A 12 -9.836 2.054 16.739 1.00 77.91 C +ATOM 78 N GLY A 13 -5.298 1.414 12.657 1.00 94.11 N +ATOM 79 CA GLY A 13 -4.265 0.501 12.219 1.00 93.79 C +ATOM 80 C GLY A 13 -3.202 1.179 11.394 1.00 94.24 C +ATOM 81 O GLY A 13 -3.314 2.357 11.059 1.00 94.16 O +ATOM 82 N PRO A 14 -2.156 0.433 11.076 1.00 91.83 N +ATOM 83 CA PRO A 14 -1.041 0.974 10.322 1.00 91.47 C +ATOM 84 C PRO A 14 -1.387 1.168 8.860 1.00 91.61 C +ATOM 85 O PRO A 14 -2.407 0.691 8.377 1.00 89.80 O +ATOM 86 CB PRO A 14 0.035 -0.093 10.492 1.00 89.44 C +ATOM 87 CG PRO A 14 -0.747 -1.353 10.589 1.00 88.52 C +ATOM 88 CD PRO A 14 -1.953 -0.974 11.404 1.00 89.53 C +HETATM 89 N HYP A 15 -0.479 1.871 8.197 1.00 90.37 N +HETATM 90 CA HYP A 15 -0.637 2.005 6.766 1.00 91.96 C +HETATM 91 C HYP A 15 -0.631 0.689 6.064 1.00 93.38 C +HETATM 92 O HYP A 15 -0.015 -0.278 6.562 1.00 91.60 O +HETATM 93 CB HYP A 15 0.636 2.829 6.418 1.00 86.33 C +HETATM 94 CG HYP A 15 0.950 3.601 7.689 1.00 85.49 C +HETATM 95 CD HYP A 15 0.618 2.613 8.773 1.00 90.68 C +HETATM 96 OD1 HYP A 15 0.107 4.720 7.787 1.00 88.12 O +ATOM 97 N GLY A 16 -1.325 0.618 4.974 1.00 93.23 N +ATOM 98 CA GLY A 16 -1.344 -0.583 4.195 1.00 92.75 C +ATOM 99 C GLY A 16 0.005 -0.829 3.552 1.00 93.44 C +ATOM 100 O GLY A 16 0.896 0.019 3.599 1.00 93.35 O +ATOM 101 N PRO A 17 0.164 -2.002 2.935 1.00 90.41 N +ATOM 102 CA PRO A 17 1.425 -2.327 2.296 1.00 89.95 C +ATOM 103 C PRO A 17 1.630 -1.521 1.028 1.00 90.53 C +ATOM 104 O PRO A 17 0.692 -0.963 0.469 1.00 89.14 O +ATOM 105 CB PRO A 17 1.291 -3.819 2.001 1.00 88.19 C +ATOM 106 CG PRO A 17 -0.172 -3.999 1.815 1.00 87.43 C +ATOM 107 CD PRO A 17 -0.807 -3.086 2.827 1.00 88.39 C +HETATM 108 N HYP A 18 2.891 -1.450 0.574 1.00 86.49 N +HETATM 109 CA HYP A 18 3.172 -0.832 -0.665 1.00 88.96 C +HETATM 110 C HYP A 18 2.441 -1.469 -1.812 1.00 89.17 C +HETATM 111 O HYP A 18 2.160 -2.693 -1.796 1.00 88.58 O +HETATM 112 CB HYP A 18 4.706 -1.104 -0.821 1.00 85.01 C +HETATM 113 CG HYP A 18 5.199 -1.219 0.596 1.00 84.11 C +HETATM 114 CD HYP A 18 4.054 -1.946 1.269 1.00 88.88 C +HETATM 115 OD1 HYP A 18 5.322 0.089 1.169 1.00 85.95 O +ATOM 116 N GLY A 19 2.080 -0.674 -2.778 1.00 89.34 N +ATOM 117 CA GLY A 19 1.421 -1.170 -3.951 1.00 89.37 C +ATOM 118 C GLY A 19 2.374 -1.973 -4.812 1.00 89.94 C +ATOM 119 O GLY A 19 3.581 -1.997 -4.573 1.00 90.47 O +ATOM 120 N PRO A 20 1.837 -2.644 -5.817 1.00 78.80 N +ATOM 121 CA PRO A 20 2.673 -3.445 -6.700 1.00 79.17 C +ATOM 122 C PRO A 20 3.501 -2.566 -7.618 1.00 78.44 C +ATOM 123 O PRO A 20 3.229 -1.384 -7.782 1.00 80.33 O +ATOM 124 CB PRO A 20 1.652 -4.266 -7.478 1.00 77.41 C +ATOM 125 CG PRO A 20 0.462 -3.377 -7.534 1.00 75.00 C +ATOM 126 CD PRO A 20 0.429 -2.698 -6.188 1.00 75.81 C +HETATM 127 N HYP A 21 4.551 -3.181 -8.201 1.00 84.16 N +HETATM 128 CA HYP A 21 5.313 -2.474 -9.176 1.00 85.89 C +HETATM 129 C HYP A 21 4.495 -1.957 -10.335 1.00 83.75 C +HETATM 130 O HYP A 21 3.508 -2.589 -10.704 1.00 89.25 O +HETATM 131 CB HYP A 21 6.335 -3.524 -9.677 1.00 82.68 C +HETATM 132 CG HYP A 21 6.503 -4.449 -8.497 1.00 77.43 C +HETATM 133 CD HYP A 21 5.115 -4.518 -7.923 1.00 84.52 C +HETATM 134 OD1 HYP A 21 7.356 -3.838 -7.529 1.00 79.18 O +ATOM 135 N GLY A 22 4.830 -0.787 -10.815 1.00 86.94 N +ATOM 136 CA GLY A 22 4.143 -0.214 -11.929 1.00 84.65 C +ATOM 137 C GLY A 22 4.446 -0.978 -13.209 1.00 84.34 C +ATOM 138 O GLY A 22 5.218 -1.935 -13.201 1.00 84.48 O +ATOM 139 N PRO A 23 3.863 -0.550 -14.321 1.00 86.90 N +ATOM 140 CA PRO A 23 4.105 -1.227 -15.587 1.00 86.35 C +ATOM 141 C PRO A 23 5.537 -1.056 -16.046 1.00 84.90 C +ATOM 142 O PRO A 23 6.242 -0.157 -15.607 1.00 81.69 O +ATOM 143 CB PRO A 23 3.114 -0.567 -16.532 1.00 82.92 C +ATOM 144 CG PRO A 23 2.948 0.792 -15.962 1.00 80.51 C +ATOM 145 CD PRO A 23 2.980 0.584 -14.471 1.00 82.77 C +HETATM 146 N HYP A 24 6.003 -1.844 -16.869 1.00 90.97 N +HETATM 147 CA HYP A 24 7.416 -1.811 -17.305 1.00 83.63 C +HETATM 148 C HYP A 24 8.085 -0.524 -17.027 1.00 87.75 C +HETATM 149 O HYP A 24 8.657 0.139 -17.902 1.00 85.79 O +HETATM 150 CB HYP A 24 7.432 -2.281 -18.690 1.00 83.63 C +HETATM 151 CG HYP A 24 6.097 -2.941 -18.940 1.00 84.11 C +HETATM 152 CD HYP A 24 5.177 -2.468 -17.834 1.00 89.61 C +HETATM 153 OD1 HYP A 24 6.202 -4.352 -18.796 1.00 83.71 O +HETATM 154 OXT HYP A 24 8.175 -0.170 -15.858 1.00 82.16 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_226.txt b/protein_pdb_226.txt new file mode 100644 index 0000000000000000000000000000000000000000..acc31bb35d7c751acdc2f8575d526f9ba829118b --- /dev/null +++ b/protein_pdb_226.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -5.401 15.354 0.845 1.00 93.64 N +ATOM 2 CA GLY A 1 -5.754 14.305 -0.054 1.00 94.31 C +ATOM 3 C GLY A 1 -6.300 13.057 0.615 1.00 94.80 C +ATOM 4 O GLY A 1 -6.204 12.905 1.829 1.00 93.49 O +ATOM 5 N PRO A 2 -6.826 12.180 -0.161 1.00 93.84 N +ATOM 6 CA PRO A 2 -7.394 10.941 0.353 1.00 94.05 C +ATOM 7 C PRO A 2 -6.314 9.937 0.736 1.00 94.03 C +ATOM 8 O PRO A 2 -5.162 10.062 0.324 1.00 93.05 O +ATOM 9 CB PRO A 2 -8.229 10.442 -0.819 1.00 91.73 C +ATOM 10 CG PRO A 2 -7.499 10.956 -2.016 1.00 88.37 C +ATOM 11 CD PRO A 2 -6.967 12.302 -1.600 1.00 91.38 C +HETATM 12 N HYP A 3 -6.733 8.941 1.508 1.00 94.05 N +HETATM 13 CA HYP A 3 -5.803 7.876 1.872 1.00 91.88 C +HETATM 14 C HYP A 3 -5.331 7.091 0.647 1.00 93.68 C +HETATM 15 O HYP A 3 -6.092 6.982 -0.351 1.00 94.99 O +HETATM 16 CB HYP A 3 -6.739 6.932 2.738 1.00 91.92 C +HETATM 17 CG HYP A 3 -7.771 7.875 3.311 1.00 89.91 C +HETATM 18 CD HYP A 3 -8.018 8.859 2.134 1.00 92.16 C +HETATM 19 OD1 HYP A 3 -7.211 8.559 4.387 1.00 91.85 O +ATOM 20 N GLY A 4 -4.113 6.667 0.682 1.00 94.31 N +ATOM 21 CA GLY A 4 -3.577 5.886 -0.396 1.00 93.67 C +ATOM 22 C GLY A 4 -4.222 4.514 -0.470 1.00 94.40 C +ATOM 23 O GLY A 4 -4.964 4.112 0.423 1.00 94.48 O +ATOM 24 N PRO A 5 -3.936 3.774 -1.544 1.00 94.04 N +ATOM 25 CA PRO A 5 -4.504 2.445 -1.712 1.00 94.09 C +ATOM 26 C PRO A 5 -3.879 1.442 -0.750 1.00 93.90 C +ATOM 27 O PRO A 5 -2.796 1.671 -0.214 1.00 93.24 O +ATOM 28 CB PRO A 5 -4.174 2.101 -3.166 1.00 92.67 C +ATOM 29 CG PRO A 5 -2.911 2.855 -3.424 1.00 90.96 C +ATOM 30 CD PRO A 5 -3.048 4.137 -2.640 1.00 93.62 C +HETATM 31 N HYP A 6 -4.612 0.329 -0.553 1.00 94.66 N +HETATM 32 CA HYP A 6 -4.053 -0.758 0.253 1.00 95.15 C +HETATM 33 C HYP A 6 -2.767 -1.285 -0.351 1.00 95.15 C +HETATM 34 O HYP A 6 -2.572 -1.213 -1.594 1.00 95.06 O +HETATM 35 CB HYP A 6 -5.173 -1.842 0.146 1.00 92.74 C +HETATM 36 CG HYP A 6 -6.440 -1.068 -0.077 1.00 91.69 C +HETATM 37 CD HYP A 6 -5.978 0.069 -1.003 1.00 93.28 C +HETATM 38 OD1 HYP A 6 -6.885 -0.529 1.148 1.00 91.20 O +ATOM 39 N GLY A 7 -1.873 -1.723 0.471 1.00 94.73 N +ATOM 40 CA GLY A 7 -0.643 -2.298 0.010 1.00 94.25 C +ATOM 41 C GLY A 7 -0.881 -3.594 -0.746 1.00 94.64 C +ATOM 42 O GLY A 7 -1.968 -4.167 -0.707 1.00 94.55 O +ATOM 43 N PRO A 8 0.136 -4.067 -1.441 1.00 94.80 N +ATOM 44 CA PRO A 8 0.001 -5.287 -2.215 1.00 94.65 C +ATOM 45 C PRO A 8 -0.041 -6.528 -1.345 1.00 94.92 C +ATOM 46 O PRO A 8 0.493 -6.549 -0.237 1.00 93.64 O +ATOM 47 CB PRO A 8 1.239 -5.275 -3.115 1.00 92.79 C +ATOM 48 CG PRO A 8 2.242 -4.522 -2.320 1.00 91.41 C +ATOM 49 CD PRO A 8 1.460 -3.474 -1.571 1.00 93.63 C +HETATM 50 N HYP A 9 -0.681 -7.580 -1.924 1.00 93.69 N +HETATM 51 CA HYP A 9 -0.729 -8.851 -1.252 1.00 92.85 C +HETATM 52 C HYP A 9 0.676 -9.453 -1.185 1.00 94.58 C +HETATM 53 O HYP A 9 1.539 -9.112 -1.979 1.00 94.04 O +HETATM 54 CB HYP A 9 -1.506 -9.790 -2.187 1.00 90.40 C +HETATM 55 CG HYP A 9 -2.301 -8.887 -3.031 1.00 89.88 C +HETATM 56 CD HYP A 9 -1.466 -7.647 -3.179 1.00 93.21 C +HETATM 57 OD1 HYP A 9 -3.487 -8.570 -2.329 1.00 89.50 O +ATOM 58 N GLY A 10 0.982 -10.346 -0.412 1.00 93.55 N +ATOM 59 CA GLY A 10 2.244 -11.044 -0.421 1.00 92.39 C +ATOM 60 C GLY A 10 2.184 -12.269 0.468 1.00 92.77 C +ATOM 61 O GLY A 10 1.196 -12.516 1.156 1.00 91.76 O +ATOM 62 N MET A 11 3.265 -13.055 0.451 1.00 94.42 N +ATOM 63 CA MET A 11 3.301 -14.251 1.274 1.00 95.06 C +ATOM 64 C MET A 11 3.351 -13.912 2.760 1.00 95.11 C +ATOM 65 O MET A 11 3.170 -14.788 3.596 1.00 92.49 O +ATOM 66 CB MET A 11 4.480 -15.142 0.868 1.00 93.87 C +ATOM 67 CG MET A 11 5.828 -14.508 1.047 1.00 89.98 C +ATOM 68 SD MET A 11 7.117 -15.418 0.163 1.00 85.84 S +ATOM 69 CE MET A 11 6.928 -17.052 0.855 1.00 78.65 C +ATOM 70 N GLN A 12 3.584 -12.649 3.084 1.00 92.12 N +ATOM 71 CA GLN A 12 3.555 -12.194 4.466 1.00 92.38 C +ATOM 72 C GLN A 12 2.142 -11.891 4.950 1.00 92.62 C +ATOM 73 O GLN A 12 1.928 -11.716 6.146 1.00 88.15 O +ATOM 74 CB GLN A 12 4.418 -10.936 4.620 1.00 89.18 C +ATOM 75 CG GLN A 12 5.892 -11.155 4.296 1.00 83.98 C +ATOM 76 CD GLN A 12 6.583 -12.062 5.297 1.00 78.18 C +ATOM 77 OE1 GLN A 12 6.209 -12.121 6.458 1.00 73.07 O +ATOM 78 NE2 GLN A 12 7.598 -12.771 4.857 1.00 72.15 N +ATOM 79 N GLY A 13 1.168 -11.800 4.046 1.00 94.67 N +ATOM 80 CA GLY A 13 -0.196 -11.543 4.453 1.00 94.08 C +ATOM 81 C GLY A 13 -1.026 -10.832 3.406 1.00 94.83 C +ATOM 82 O GLY A 13 -0.615 -10.716 2.247 1.00 94.48 O +ATOM 83 N PRO A 14 -2.199 -10.373 3.804 1.00 95.30 N +ATOM 84 CA PRO A 14 -3.133 -9.713 2.899 1.00 95.46 C +ATOM 85 C PRO A 14 -2.674 -8.302 2.547 1.00 95.51 C +ATOM 86 O PRO A 14 -1.612 -7.858 2.976 1.00 94.45 O +ATOM 87 CB PRO A 14 -4.439 -9.701 3.692 1.00 94.24 C +ATOM 88 CG PRO A 14 -3.992 -9.609 5.108 1.00 92.74 C +ATOM 89 CD PRO A 14 -2.728 -10.425 5.172 1.00 94.33 C +HETATM 90 N HYP A 15 -3.551 -7.614 1.760 1.00 95.17 N +HETATM 91 CA HYP A 15 -3.220 -6.250 1.404 1.00 94.77 C +HETATM 92 C HYP A 15 -2.884 -5.427 2.609 1.00 95.98 C +HETATM 93 O HYP A 15 -3.503 -5.616 3.700 1.00 94.89 O +HETATM 94 CB HYP A 15 -4.507 -5.725 0.743 1.00 93.14 C +HETATM 95 CG HYP A 15 -5.154 -6.948 0.177 1.00 91.64 C +HETATM 96 CD HYP A 15 -4.830 -8.031 1.211 1.00 93.96 C +HETATM 97 OD1 HYP A 15 -4.569 -7.253 -1.037 1.00 91.13 O +ATOM 98 N GLY A 16 -1.925 -4.562 2.479 1.00 95.44 N +ATOM 99 CA GLY A 16 -1.551 -3.680 3.552 1.00 95.27 C +ATOM 100 C GLY A 16 -2.619 -2.633 3.794 1.00 95.71 C +ATOM 101 O GLY A 16 -3.589 -2.526 3.043 1.00 95.58 O +ATOM 102 N PRO A 17 -2.448 -1.856 4.856 1.00 94.03 N +ATOM 103 CA PRO A 17 -3.415 -0.809 5.170 1.00 93.75 C +ATOM 104 C PRO A 17 -3.351 0.327 4.156 1.00 94.22 C +ATOM 105 O PRO A 17 -2.369 0.472 3.431 1.00 93.29 O +ATOM 106 CB PRO A 17 -2.988 -0.343 6.560 1.00 92.38 C +ATOM 107 CG PRO A 17 -1.536 -0.648 6.618 1.00 90.74 C +ATOM 108 CD PRO A 17 -1.352 -1.895 5.809 1.00 92.92 C +HETATM 109 N HYP A 18 -4.442 1.123 4.113 1.00 92.77 N +HETATM 110 CA HYP A 18 -4.426 2.276 3.274 1.00 90.75 C +HETATM 111 C HYP A 18 -3.293 3.214 3.578 1.00 94.06 C +HETATM 112 O HYP A 18 -2.868 3.311 4.769 1.00 92.67 O +HETATM 113 CB HYP A 18 -5.789 2.937 3.611 1.00 90.30 C +HETATM 114 CG HYP A 18 -6.674 1.786 4.047 1.00 88.90 C +HETATM 115 CD HYP A 18 -5.698 0.905 4.816 1.00 92.29 C +HETATM 116 OD1 HYP A 18 -7.151 1.096 2.906 1.00 89.74 O +ATOM 117 N GLY A 19 -2.758 3.826 2.591 1.00 91.83 N +ATOM 118 CA GLY A 19 -1.701 4.772 2.784 1.00 91.48 C +ATOM 119 C GLY A 19 -2.185 5.989 3.545 1.00 91.80 C +ATOM 120 O GLY A 19 -3.381 6.161 3.776 1.00 92.49 O +ATOM 121 N PRO A 20 -1.260 6.842 3.944 1.00 91.93 N +ATOM 122 CA PRO A 20 -1.623 8.039 4.693 1.00 92.16 C +ATOM 123 C PRO A 20 -2.336 9.052 3.815 1.00 92.01 C +ATOM 124 O PRO A 20 -2.204 9.041 2.594 1.00 91.80 O +ATOM 125 CB PRO A 20 -0.276 8.574 5.173 1.00 90.24 C +ATOM 126 CG PRO A 20 0.683 8.111 4.130 1.00 87.39 C +ATOM 127 CD PRO A 20 0.173 6.759 3.709 1.00 90.14 C +HETATM 128 N HYP A 21 -3.092 9.900 4.474 1.00 92.95 N +HETATM 129 CA HYP A 21 -3.729 10.985 3.755 1.00 91.76 C +HETATM 130 C HYP A 21 -2.749 11.900 3.074 1.00 93.17 C +HETATM 131 O HYP A 21 -1.634 12.104 3.598 1.00 94.02 O +HETATM 132 CB HYP A 21 -4.448 11.766 4.894 1.00 90.44 C +HETATM 133 CG HYP A 21 -4.664 10.763 5.986 1.00 87.83 C +HETATM 134 CD HYP A 21 -3.431 9.892 5.910 1.00 91.88 C +HETATM 135 OD1 HYP A 21 -5.805 9.971 5.673 1.00 89.17 O +ATOM 136 N GLY A 22 -3.053 12.338 1.916 1.00 92.20 N +ATOM 137 CA GLY A 22 -2.231 13.321 1.270 1.00 90.89 C +ATOM 138 C GLY A 22 -2.380 14.656 1.982 1.00 90.92 C +ATOM 139 O GLY A 22 -3.212 14.806 2.875 1.00 90.75 O +ATOM 140 N PRO A 23 -1.593 15.658 1.598 1.00 94.91 N +ATOM 141 CA PRO A 23 -1.730 16.970 2.216 1.00 94.69 C +ATOM 142 C PRO A 23 -3.037 17.611 1.764 1.00 93.92 C +ATOM 143 O PRO A 23 -3.209 17.897 0.583 1.00 91.38 O +ATOM 144 CB PRO A 23 -0.498 17.740 1.731 1.00 92.76 C +ATOM 145 CG PRO A 23 0.012 16.995 0.563 1.00 90.39 C +ATOM 146 CD PRO A 23 -0.555 15.607 0.591 1.00 93.23 C +HETATM 147 N HYP A 24 -3.985 17.664 2.575 1.00 95.66 N +HETATM 148 CA HYP A 24 -5.446 17.742 2.196 1.00 91.93 C +HETATM 149 C HYP A 24 -6.059 16.814 1.389 1.00 95.39 C +HETATM 150 O HYP A 24 -7.264 16.341 1.591 1.00 93.96 O +HETATM 151 CB HYP A 24 -6.087 18.511 3.287 1.00 90.78 C +HETATM 152 CG HYP A 24 -4.945 19.372 3.855 1.00 90.85 C +HETATM 153 CD HYP A 24 -3.677 18.496 3.646 1.00 93.36 C +HETATM 154 OD1 HYP A 24 -5.131 19.758 5.183 1.00 90.64 O +HETATM 155 OXT HYP A 24 -6.123 17.104 0.104 1.00 89.58 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_227.txt b/protein_pdb_227.txt new file mode 100644 index 0000000000000000000000000000000000000000..f04262762afa70c68ef9de91513e79e19f3f6991 --- /dev/null +++ b/protein_pdb_227.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -29.838 17.195 3.088 1.00 89.14 N +ATOM 2 CA GLY A 1 -28.601 17.974 3.066 1.00 92.64 C +ATOM 3 C GLY A 1 -27.757 17.650 1.853 1.00 92.72 C +ATOM 4 O GLY A 1 -28.044 16.696 1.131 1.00 91.09 O +ATOM 5 N PRO A 2 -26.703 18.405 1.606 1.00 93.63 N +ATOM 6 CA PRO A 2 -25.830 18.163 0.460 1.00 95.19 C +ATOM 7 C PRO A 2 -25.023 16.884 0.633 1.00 95.21 C +ATOM 8 O PRO A 2 -24.860 16.387 1.739 1.00 94.64 O +ATOM 9 CB PRO A 2 -24.928 19.400 0.422 1.00 94.22 C +ATOM 10 CG PRO A 2 -24.860 19.810 1.847 1.00 91.87 C +ATOM 11 CD PRO A 2 -26.251 19.548 2.390 1.00 93.68 C +HETATM 12 N HYP A 3 -24.587 16.378 -0.413 1.00 94.05 N +HETATM 13 CA HYP A 3 -23.678 15.169 -0.414 1.00 90.55 C +HETATM 14 C HYP A 3 -22.423 15.436 0.402 1.00 89.19 C +HETATM 15 O HYP A 3 -21.946 16.585 0.466 1.00 94.55 O +HETATM 16 CB HYP A 3 -23.368 14.985 -1.889 1.00 90.87 C +HETATM 17 CG HYP A 3 -24.527 15.649 -2.655 1.00 88.18 C +HETATM 18 CD HYP A 3 -24.837 16.844 -1.753 1.00 90.94 C +HETATM 19 OD1 HYP A 3 -25.643 14.811 -2.750 1.00 92.71 O +ATOM 20 N GLY A 4 -21.902 14.383 1.050 1.00 95.50 N +ATOM 21 CA GLY A 4 -20.709 14.512 1.846 1.00 94.98 C +ATOM 22 C GLY A 4 -19.483 14.739 0.979 1.00 94.71 C +ATOM 23 O GLY A 4 -19.535 14.581 -0.245 1.00 94.62 O +ATOM 24 N PRO A 5 -18.363 15.105 1.598 1.00 96.00 N +ATOM 25 CA PRO A 5 -17.132 15.356 0.851 1.00 95.76 C +ATOM 26 C PRO A 5 -16.541 14.057 0.317 1.00 95.64 C +ATOM 27 O PRO A 5 -16.852 12.973 0.798 1.00 95.43 O +ATOM 28 CB PRO A 5 -16.221 16.008 1.885 1.00 94.82 C +ATOM 29 CG PRO A 5 -16.676 15.412 3.175 1.00 92.95 C +ATOM 30 CD PRO A 5 -18.178 15.306 3.027 1.00 94.56 C +HETATM 31 N HYP A 6 -15.730 14.191 -0.674 1.00 92.06 N +HETATM 32 CA HYP A 6 -14.952 12.993 -1.182 1.00 94.86 C +HETATM 33 C HYP A 6 -14.148 12.331 -0.132 1.00 91.59 C +HETATM 34 O HYP A 6 -13.626 13.033 0.783 1.00 93.91 O +HETATM 35 CB HYP A 6 -14.107 13.647 -2.297 1.00 88.17 C +HETATM 36 CG HYP A 6 -14.875 14.898 -2.753 1.00 89.61 C +HETATM 37 CD HYP A 6 -15.476 15.372 -1.439 1.00 91.19 C +HETATM 38 OD1 HYP A 6 -15.887 14.565 -3.664 1.00 90.70 O +ATOM 39 N GLY A 7 -14.005 10.996 -0.181 1.00 95.70 N +ATOM 40 CA GLY A 7 -13.245 10.249 0.793 1.00 95.16 C +ATOM 41 C GLY A 7 -11.761 10.516 0.660 1.00 95.32 C +ATOM 42 O GLY A 7 -11.312 11.154 -0.297 1.00 95.22 O +ATOM 43 N PRO A 8 -10.962 10.015 1.619 1.00 95.20 N +ATOM 44 CA PRO A 8 -9.519 10.217 1.582 1.00 95.06 C +ATOM 45 C PRO A 8 -8.867 9.389 0.489 1.00 94.83 C +ATOM 46 O PRO A 8 -9.442 8.424 0.004 1.00 94.57 O +ATOM 47 CB PRO A 8 -9.066 9.771 2.972 1.00 94.31 C +ATOM 48 CG PRO A 8 -10.070 8.724 3.328 1.00 93.58 C +ATOM 49 CD PRO A 8 -11.376 9.249 2.776 1.00 94.83 C +HETATM 50 N HYP A 9 -7.679 9.732 0.088 1.00 91.15 N +HETATM 51 CA HYP A 9 -6.904 8.973 -0.872 1.00 92.19 C +HETATM 52 C HYP A 9 -6.659 7.564 -0.417 1.00 89.95 C +HETATM 53 O HYP A 9 -6.501 7.334 0.814 1.00 90.12 O +HETATM 54 CB HYP A 9 -5.564 9.766 -0.946 1.00 89.13 C +HETATM 55 CG HYP A 9 -5.917 11.150 -0.496 1.00 89.59 C +HETATM 56 CD HYP A 9 -7.003 10.916 0.512 1.00 90.54 C +HETATM 57 OD1 HYP A 9 -6.429 11.886 -1.584 1.00 87.35 O +ATOM 58 N GLY A 10 -6.556 6.596 -1.320 1.00 93.76 N +ATOM 59 CA GLY A 10 -6.292 5.222 -0.977 1.00 92.29 C +ATOM 60 C GLY A 10 -4.944 5.073 -0.300 1.00 91.91 C +ATOM 61 O GLY A 10 -4.038 5.895 -0.487 1.00 90.30 O +ATOM 62 N GLN A 11 -4.796 4.006 0.490 1.00 93.11 N +ATOM 63 CA GLN A 11 -3.538 3.744 1.183 1.00 91.60 C +ATOM 64 C GLN A 11 -2.473 3.284 0.190 1.00 90.16 C +ATOM 65 O GLN A 11 -2.768 2.620 -0.805 1.00 86.25 O +ATOM 66 CB GLN A 11 -3.729 2.669 2.255 1.00 89.26 C +ATOM 67 CG GLN A 11 -4.608 3.122 3.403 1.00 84.19 C +ATOM 68 CD GLN A 11 -4.729 2.041 4.458 1.00 79.59 C +ATOM 69 OE1 GLN A 11 -4.879 0.863 4.138 1.00 74.91 O +ATOM 70 NE2 GLN A 11 -4.673 2.424 5.717 1.00 71.47 N +ATOM 71 N LYS A 12 -1.225 3.619 0.489 1.00 91.99 N +ATOM 72 CA LYS A 12 -0.122 3.179 -0.352 1.00 91.59 C +ATOM 73 C LYS A 12 0.036 1.667 -0.177 1.00 92.07 C +ATOM 74 O LYS A 12 -0.147 1.144 0.920 1.00 90.27 O +ATOM 75 CB LYS A 12 1.170 3.909 0.044 1.00 87.90 C +ATOM 76 CG LYS A 12 2.368 3.569 -0.847 1.00 82.96 C +ATOM 77 CD LYS A 12 3.596 4.384 -0.477 1.00 80.25 C +ATOM 78 CE LYS A 12 4.778 4.062 -1.387 1.00 74.91 C +ATOM 79 NZ LYS A 12 5.970 4.865 -1.040 1.00 70.97 N +ATOM 80 N GLY A 13 0.364 0.995 -1.275 1.00 91.09 N +ATOM 81 CA GLY A 13 0.534 -0.446 -1.223 1.00 90.04 C +ATOM 82 C GLY A 13 1.691 -0.858 -0.333 1.00 90.64 C +ATOM 83 O GLY A 13 2.550 -0.045 0.006 1.00 90.54 O +ATOM 84 N PRO A 14 1.736 -2.142 0.064 1.00 89.82 N +ATOM 85 CA PRO A 14 2.804 -2.632 0.928 1.00 90.75 C +ATOM 86 C PRO A 14 4.127 -2.698 0.179 1.00 90.42 C +ATOM 87 O PRO A 14 4.156 -2.732 -1.044 1.00 90.37 O +ATOM 88 CB PRO A 14 2.323 -4.020 1.343 1.00 89.44 C +ATOM 89 CG PRO A 14 1.497 -4.455 0.180 1.00 88.69 C +ATOM 90 CD PRO A 14 0.780 -3.202 -0.269 1.00 89.77 C +HETATM 91 N HYP A 15 5.223 -2.733 0.922 1.00 81.05 N +HETATM 92 CA HYP A 15 6.553 -2.894 0.343 1.00 82.55 C +HETATM 93 C HYP A 15 6.673 -4.216 -0.441 1.00 80.87 C +HETATM 94 O HYP A 15 5.957 -5.177 -0.095 1.00 80.74 O +HETATM 95 CB HYP A 15 7.430 -2.943 1.601 1.00 78.93 C +HETATM 96 CG HYP A 15 6.635 -2.211 2.662 1.00 79.87 C +HETATM 97 CD HYP A 15 5.229 -2.578 2.332 1.00 83.63 C +HETATM 98 OD1 HYP A 15 6.811 -0.814 2.528 1.00 83.88 O +ATOM 99 N GLY A 16 7.470 -4.245 -1.444 1.00 93.52 N +ATOM 100 CA GLY A 16 7.669 -5.449 -2.191 1.00 91.95 C +ATOM 101 C GLY A 16 8.410 -6.488 -1.365 1.00 91.84 C +ATOM 102 O GLY A 16 8.900 -6.192 -0.274 1.00 92.83 O +ATOM 103 N PRO A 17 8.507 -7.731 -1.877 1.00 88.33 N +ATOM 104 CA PRO A 17 9.193 -8.787 -1.142 1.00 88.88 C +ATOM 105 C PRO A 17 10.689 -8.534 -1.087 1.00 88.73 C +ATOM 106 O PRO A 17 11.237 -7.809 -1.907 1.00 89.95 O +ATOM 107 CB PRO A 17 8.856 -10.047 -1.941 1.00 88.15 C +ATOM 108 CG PRO A 17 8.668 -9.538 -3.325 1.00 86.42 C +ATOM 109 CD PRO A 17 7.981 -8.201 -3.150 1.00 87.18 C +HETATM 110 N HYP A 18 11.373 -9.149 -0.136 1.00 85.38 N +HETATM 111 CA HYP A 18 12.807 -9.055 -0.043 1.00 90.49 C +HETATM 112 C HYP A 18 13.515 -9.558 -1.286 1.00 82.59 C +HETATM 113 O HYP A 18 13.008 -10.515 -1.938 1.00 90.31 O +HETATM 114 CB HYP A 18 13.127 -9.942 1.165 1.00 80.46 C +HETATM 115 CG HYP A 18 11.864 -9.950 1.995 1.00 82.66 C +HETATM 116 CD HYP A 18 10.781 -9.884 0.951 1.00 87.11 C +HETATM 117 OD1 HYP A 18 11.774 -8.823 2.836 1.00 89.20 O +ATOM 118 N GLY A 19 14.601 -8.929 -1.682 1.00 91.43 N +ATOM 119 CA GLY A 19 15.354 -9.339 -2.832 1.00 90.09 C +ATOM 120 C GLY A 19 16.030 -10.679 -2.579 1.00 89.90 C +ATOM 121 O GLY A 19 16.047 -11.174 -1.453 1.00 90.33 O +ATOM 122 N PRO A 20 16.607 -11.279 -3.623 1.00 89.32 N +ATOM 123 CA PRO A 20 17.272 -12.570 -3.473 1.00 89.19 C +ATOM 124 C PRO A 20 18.569 -12.433 -2.688 1.00 88.70 C +ATOM 125 O PRO A 20 19.142 -11.355 -2.610 1.00 89.11 O +ATOM 126 CB PRO A 20 17.511 -13.006 -4.918 1.00 87.16 C +ATOM 127 CG PRO A 20 17.664 -11.712 -5.638 1.00 84.17 C +ATOM 128 CD PRO A 20 16.652 -10.787 -4.990 1.00 85.72 C +HETATM 129 N HYP A 21 19.052 -13.523 -2.104 1.00 92.05 N +HETATM 130 CA HYP A 21 20.325 -13.538 -1.429 1.00 88.49 C +HETATM 131 C HYP A 21 21.492 -13.182 -2.337 1.00 87.18 C +HETATM 132 O HYP A 21 21.422 -13.480 -3.548 1.00 93.54 O +HETATM 133 CB HYP A 21 20.463 -15.034 -0.978 1.00 87.08 C +HETATM 134 CG HYP A 21 19.053 -15.546 -0.877 1.00 82.70 C +HETATM 135 CD HYP A 21 18.354 -14.804 -1.987 1.00 88.85 C +HETATM 136 OD1 HYP A 21 18.461 -15.184 0.363 1.00 90.50 O +ATOM 137 N GLY A 22 22.521 -12.516 -1.850 1.00 90.74 N +ATOM 138 CA GLY A 22 23.677 -12.163 -2.619 1.00 90.16 C +ATOM 139 C GLY A 22 24.425 -13.412 -3.068 1.00 90.50 C +ATOM 140 O GLY A 22 24.120 -14.519 -2.615 1.00 89.64 O +ATOM 141 N PRO A 23 25.436 -13.266 -3.931 1.00 92.34 N +ATOM 142 CA PRO A 23 26.187 -14.423 -4.406 1.00 92.67 C +ATOM 143 C PRO A 23 26.988 -15.043 -3.276 1.00 92.00 C +ATOM 144 O PRO A 23 27.381 -14.366 -2.327 1.00 90.04 O +ATOM 145 CB PRO A 23 27.081 -13.844 -5.497 1.00 90.55 C +ATOM 146 CG PRO A 23 27.242 -12.420 -5.096 1.00 88.41 C +ATOM 147 CD PRO A 23 25.913 -12.030 -4.516 1.00 90.48 C +HETATM 148 N HYP A 24 27.333 -16.323 -3.335 1.00 94.05 N +HETATM 149 CA HYP A 24 28.084 -16.955 -2.247 1.00 90.74 C +HETATM 150 C HYP A 24 29.436 -16.279 -2.115 1.00 88.97 C +HETATM 151 O HYP A 24 29.615 -15.725 -1.076 1.00 91.45 O +HETATM 152 CB HYP A 24 28.303 -18.430 -2.768 1.00 91.70 C +HETATM 153 CG HYP A 24 27.244 -18.667 -3.803 1.00 90.21 C +HETATM 154 CD HYP A 24 26.976 -17.274 -4.394 1.00 92.94 C +HETATM 155 OD1 HYP A 24 26.067 -19.132 -3.187 1.00 87.09 O +HETATM 156 OXT HYP A 24 30.252 -16.307 -3.088 1.00 88.06 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_228.txt b/protein_pdb_228.txt new file mode 100644 index 0000000000000000000000000000000000000000..c696acaf7abcae1841d0a70c389ca452ad258049 --- /dev/null +++ b/protein_pdb_228.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 -14.483 -3.252 5.499 1.00 76.40 N +ATOM 2 CA GLY A 1 -13.556 -2.488 6.311 1.00 80.23 C +ATOM 3 C GLY A 1 -12.816 -1.465 5.489 1.00 81.42 C +ATOM 4 O GLY A 1 -12.997 -1.375 4.275 1.00 78.28 O +ATOM 5 N PRO A 2 -11.977 -0.702 6.138 1.00 74.32 N +ATOM 6 CA PRO A 2 -11.260 0.357 5.445 1.00 79.18 C +ATOM 7 C PRO A 2 -10.200 -0.202 4.521 1.00 79.94 C +ATOM 8 O PRO A 2 -9.705 -1.304 4.703 1.00 79.29 O +ATOM 9 CB PRO A 2 -10.629 1.158 6.581 1.00 75.34 C +ATOM 10 CG PRO A 2 -10.452 0.170 7.667 1.00 67.96 C +ATOM 11 CD PRO A 2 -11.624 -0.765 7.561 1.00 66.11 C +HETATM 12 N HYP A 3 -9.897 0.571 3.554 1.00 75.06 N +HETATM 13 CA HYP A 3 -8.813 0.242 2.667 1.00 80.45 C +HETATM 14 C HYP A 3 -7.536 0.046 3.368 1.00 81.48 C +HETATM 15 O HYP A 3 -7.309 0.677 4.444 1.00 80.17 O +HETATM 16 CB HYP A 3 -8.804 1.427 1.694 1.00 77.40 C +HETATM 17 CG HYP A 3 -10.210 1.940 1.743 1.00 70.82 C +HETATM 18 CD HYP A 3 -10.558 1.803 3.227 1.00 73.11 C +HETATM 19 OD1 HYP A 3 -11.110 1.139 0.993 1.00 78.68 O +ATOM 20 N GLY A 4 -6.733 -0.842 2.927 1.00 86.32 N +ATOM 21 CA GLY A 4 -5.430 -1.031 3.501 1.00 84.89 C +ATOM 22 C GLY A 4 -4.537 0.168 3.265 1.00 83.61 C +ATOM 23 O GLY A 4 -4.870 1.074 2.501 1.00 82.79 O +ATOM 24 N PRO A 5 -3.392 0.180 3.935 1.00 87.32 N +ATOM 25 CA PRO A 5 -2.455 1.279 3.750 1.00 86.38 C +ATOM 26 C PRO A 5 -1.827 1.224 2.371 1.00 86.53 C +ATOM 27 O PRO A 5 -1.797 0.182 1.726 1.00 84.07 O +ATOM 28 CB PRO A 5 -1.420 1.045 4.841 1.00 83.18 C +ATOM 29 CG PRO A 5 -1.441 -0.421 5.048 1.00 82.07 C +ATOM 30 CD PRO A 5 -2.874 -0.837 4.839 1.00 82.80 C +HETATM 31 N HYP A 6 -1.353 2.336 1.927 1.00 82.58 N +HETATM 32 CA HYP A 6 -0.624 2.387 0.693 1.00 85.45 C +HETATM 33 C HYP A 6 0.528 1.463 0.703 1.00 83.18 C +HETATM 34 O HYP A 6 1.102 1.187 1.767 1.00 83.92 O +HETATM 35 CB HYP A 6 -0.270 3.894 0.703 1.00 83.78 C +HETATM 36 CG HYP A 6 -1.385 4.547 1.475 1.00 81.79 C +HETATM 37 CD HYP A 6 -1.579 3.607 2.605 1.00 83.41 C +HETATM 38 OD1 HYP A 6 -2.589 4.641 0.725 1.00 83.09 O +ATOM 39 N GLY A 7 0.837 0.890 -0.417 1.00 84.01 N +ATOM 40 CA GLY A 7 1.979 0.022 -0.534 1.00 80.76 C +ATOM 41 C GLY A 7 3.270 0.763 -0.267 1.00 81.33 C +ATOM 42 O GLY A 7 3.309 1.990 -0.203 1.00 79.80 O +ATOM 43 N PRO A 8 4.350 0.005 -0.116 1.00 84.71 N +ATOM 44 CA PRO A 8 5.638 0.635 0.117 1.00 83.65 C +ATOM 45 C PRO A 8 6.121 1.346 -1.132 1.00 84.21 C +ATOM 46 O PRO A 8 5.768 0.984 -2.249 1.00 81.17 O +ATOM 47 CB PRO A 8 6.542 -0.536 0.477 1.00 80.25 C +ATOM 48 CG PRO A 8 5.926 -1.686 -0.228 1.00 79.65 C +ATOM 49 CD PRO A 8 4.442 -1.438 -0.186 1.00 80.22 C +HETATM 50 N HYP A 9 6.958 2.335 -0.929 1.00 78.45 N +HETATM 51 CA HYP A 9 7.528 3.015 -2.025 1.00 82.47 C +HETATM 52 C HYP A 9 8.363 2.111 -2.882 1.00 80.47 C +HETATM 53 O HYP A 9 9.037 1.217 -2.337 1.00 79.34 O +HETATM 54 CB HYP A 9 8.360 4.094 -1.308 1.00 78.52 C +HETATM 55 CG HYP A 9 7.639 4.354 -0.031 1.00 77.77 C +HETATM 56 CD HYP A 9 7.235 2.990 0.347 1.00 80.70 C +HETATM 57 OD1 HYP A 9 6.487 5.148 -0.218 1.00 76.32 O +ATOM 58 N GLY A 10 8.279 2.271 -4.134 1.00 81.01 N +ATOM 59 CA GLY A 10 9.159 1.536 -4.996 1.00 76.57 C +ATOM 60 C GLY A 10 10.608 1.895 -4.717 1.00 76.71 C +ATOM 61 O GLY A 10 10.921 2.989 -4.236 1.00 73.66 O +ATOM 62 N TYR A 11 11.492 0.960 -5.016 1.00 79.65 N +ATOM 63 CA TYR A 11 12.920 1.199 -4.890 1.00 80.14 C +ATOM 64 C TYR A 11 13.599 0.652 -6.136 1.00 79.03 C +ATOM 65 O TYR A 11 13.843 -0.543 -6.242 1.00 77.64 O +ATOM 66 CB TYR A 11 13.466 0.542 -3.622 1.00 79.20 C +ATOM 67 CG TYR A 11 14.914 0.854 -3.366 1.00 76.24 C +ATOM 68 CD1 TYR A 11 15.343 2.154 -3.174 1.00 74.50 C +ATOM 69 CD2 TYR A 11 15.876 -0.160 -3.323 1.00 74.52 C +ATOM 70 CE1 TYR A 11 16.679 2.454 -2.941 1.00 72.19 C +ATOM 71 CE2 TYR A 11 17.204 0.128 -3.095 1.00 74.06 C +ATOM 72 CZ TYR A 11 17.612 1.434 -2.896 1.00 72.70 C +ATOM 73 OH TYR A 11 18.940 1.730 -2.668 1.00 73.56 O +ATOM 74 N PRO A 12 13.851 1.522 -7.104 1.00 68.96 N +ATOM 75 CA PRO A 12 13.639 2.973 -7.077 1.00 69.59 C +ATOM 76 C PRO A 12 12.303 3.421 -7.662 1.00 70.14 C +ATOM 77 O PRO A 12 12.128 4.607 -7.935 1.00 65.94 O +ATOM 78 CB PRO A 12 14.784 3.485 -7.946 1.00 65.58 C +ATOM 79 CG PRO A 12 14.902 2.436 -9.001 1.00 63.02 C +ATOM 80 CD PRO A 12 14.612 1.125 -8.284 1.00 64.63 C +ATOM 81 N GLY A 13 11.367 2.519 -7.844 1.00 80.68 N +ATOM 82 CA GLY A 13 10.111 2.836 -8.485 1.00 76.99 C +ATOM 83 C GLY A 13 9.158 3.657 -7.621 1.00 76.67 C +ATOM 84 O GLY A 13 9.489 4.083 -6.520 1.00 76.62 O +ATOM 85 N PRO A 14 7.960 3.891 -8.150 1.00 78.74 N +ATOM 86 CA PRO A 14 6.967 4.676 -7.430 1.00 79.28 C +ATOM 87 C PRO A 14 6.382 3.902 -6.258 1.00 78.60 C +ATOM 88 O PRO A 14 6.545 2.691 -6.147 1.00 76.28 O +ATOM 89 CB PRO A 14 5.901 4.953 -8.484 1.00 76.34 C +ATOM 90 CG PRO A 14 5.990 3.771 -9.387 1.00 74.08 C +ATOM 91 CD PRO A 14 7.446 3.411 -9.433 1.00 74.10 C +HETATM 92 N HYP A 15 5.655 4.655 -5.427 1.00 77.08 N +HETATM 93 CA HYP A 15 4.995 4.020 -4.318 1.00 79.87 C +HETATM 94 C HYP A 15 4.116 2.919 -4.711 1.00 81.58 C +HETATM 95 O HYP A 15 3.560 2.935 -5.834 1.00 80.85 O +HETATM 96 CB HYP A 15 4.310 5.220 -3.677 1.00 73.74 C +HETATM 97 CG HYP A 15 5.200 6.403 -4.053 1.00 71.78 C +HETATM 98 CD HYP A 15 5.546 6.088 -5.480 1.00 77.75 C +HETATM 99 OD1 HYP A 15 6.353 6.442 -3.264 1.00 75.98 O +ATOM 100 N GLY A 16 3.973 1.928 -3.892 1.00 85.51 N +ATOM 101 CA GLY A 16 3.063 0.849 -4.166 1.00 83.07 C +ATOM 102 C GLY A 16 1.619 1.291 -4.069 1.00 84.10 C +ATOM 103 O GLY A 16 1.308 2.368 -3.563 1.00 83.37 O +ATOM 104 N PRO A 17 0.723 0.443 -4.573 1.00 81.61 N +ATOM 105 CA PRO A 17 -0.698 0.746 -4.502 1.00 81.38 C +ATOM 106 C PRO A 17 -1.211 0.586 -3.086 1.00 81.61 C +ATOM 107 O PRO A 17 -0.610 -0.090 -2.257 1.00 79.00 O +ATOM 108 CB PRO A 17 -1.320 -0.284 -5.434 1.00 77.91 C +ATOM 109 CG PRO A 17 -0.391 -1.442 -5.339 1.00 76.44 C +ATOM 110 CD PRO A 17 0.981 -0.852 -5.192 1.00 77.33 C +HETATM 111 N HYP A 18 -2.319 1.196 -2.838 1.00 79.27 N +HETATM 112 CA HYP A 18 -2.980 1.024 -1.543 1.00 84.95 C +HETATM 113 C HYP A 18 -3.254 -0.399 -1.272 1.00 82.18 C +HETATM 114 O HYP A 18 -3.489 -1.191 -2.222 1.00 84.01 O +HETATM 115 CB HYP A 18 -4.137 1.907 -1.719 1.00 81.00 C +HETATM 116 CG HYP A 18 -3.715 2.946 -2.742 1.00 79.71 C +HETATM 117 CD HYP A 18 -2.927 2.144 -3.723 1.00 81.65 C +HETATM 118 OD1 HYP A 18 -2.881 3.942 -2.180 1.00 79.86 O +ATOM 119 N GLY A 19 -3.220 -0.792 -0.064 1.00 84.82 N +ATOM 120 CA GLY A 19 -3.549 -2.139 0.314 1.00 83.45 C +ATOM 121 C GLY A 19 -5.007 -2.454 0.058 1.00 83.42 C +ATOM 122 O GLY A 19 -5.806 -1.577 -0.264 1.00 83.37 O +ATOM 123 N PRO A 20 -5.349 -3.715 0.199 1.00 81.10 N +ATOM 124 CA PRO A 20 -6.728 -4.122 -0.010 1.00 80.29 C +ATOM 125 C PRO A 20 -7.614 -3.619 1.109 1.00 80.12 C +ATOM 126 O PRO A 20 -7.157 -3.335 2.208 1.00 79.14 O +ATOM 127 CB PRO A 20 -6.648 -5.643 -0.005 1.00 76.89 C +ATOM 128 CG PRO A 20 -5.481 -5.932 0.867 1.00 74.11 C +ATOM 129 CD PRO A 20 -4.498 -4.825 0.611 1.00 74.80 C +HETATM 130 N HYP A 21 -8.901 -3.525 0.816 1.00 81.35 N +HETATM 131 CA HYP A 21 -9.826 -3.166 1.838 1.00 84.08 C +HETATM 132 C HYP A 21 -9.839 -4.123 2.995 1.00 81.79 C +HETATM 133 O HYP A 21 -9.563 -5.300 2.797 1.00 82.87 O +HETATM 134 CB HYP A 21 -11.146 -3.145 1.083 1.00 80.88 C +HETATM 135 CG HYP A 21 -10.763 -2.781 -0.333 1.00 80.06 C +HETATM 136 CD HYP A 21 -9.522 -3.577 -0.527 1.00 82.99 C +HETATM 137 OD1 HYP A 21 -10.448 -1.406 -0.461 1.00 82.63 O +ATOM 138 N GLY A 22 -10.015 -3.624 4.157 1.00 85.22 N +ATOM 139 CA GLY A 22 -10.135 -4.470 5.315 1.00 82.35 C +ATOM 140 C GLY A 22 -11.382 -5.334 5.239 1.00 82.50 C +ATOM 141 O GLY A 22 -12.190 -5.214 4.323 1.00 81.50 O +ATOM 142 N PRO A 23 -11.549 -6.223 6.213 1.00 79.34 N +ATOM 143 CA PRO A 23 -12.716 -7.088 6.211 1.00 80.35 C +ATOM 144 C PRO A 23 -13.984 -6.284 6.426 1.00 79.34 C +ATOM 145 O PRO A 23 -13.964 -5.231 7.047 1.00 76.17 O +ATOM 146 CB PRO A 23 -12.456 -8.040 7.377 1.00 75.54 C +ATOM 147 CG PRO A 23 -11.557 -7.283 8.279 1.00 70.61 C +ATOM 148 CD PRO A 23 -10.711 -6.425 7.385 1.00 72.87 C +HETATM 149 N HYP A 24 -15.095 -6.755 5.998 1.00 85.75 N +HETATM 150 CA HYP A 24 -16.301 -5.994 6.175 1.00 85.04 C +HETATM 151 C HYP A 24 -16.555 -5.726 7.611 1.00 83.28 C +HETATM 152 O HYP A 24 -16.984 -4.630 7.904 1.00 85.05 O +HETATM 153 CB HYP A 24 -17.351 -6.896 5.521 1.00 80.62 C +HETATM 154 CG HYP A 24 -16.617 -7.807 4.584 1.00 79.85 C +HETATM 155 CD HYP A 24 -15.237 -7.981 5.222 1.00 82.71 C +HETATM 156 OD1 HYP A 24 -16.426 -7.145 3.333 1.00 81.52 O +HETATM 157 OXT HYP A 24 -16.289 -6.665 8.424 1.00 79.61 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_229.txt b/protein_pdb_229.txt new file mode 100644 index 0000000000000000000000000000000000000000..a7520fec971828f3e18981cea9ec01ce303e3819 --- /dev/null +++ b/protein_pdb_229.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 11.666 0.968 -9.813 1.00 80.01 N +ATOM 2 CA GLY A 1 11.334 2.183 -9.092 1.00 80.94 C +ATOM 3 C GLY A 1 11.020 1.892 -7.652 1.00 81.63 C +ATOM 4 O GLY A 1 11.035 0.735 -7.228 1.00 78.23 O +ATOM 5 N PRO A 2 10.718 2.917 -6.875 1.00 80.51 N +ATOM 6 CA PRO A 2 10.415 2.728 -5.465 1.00 82.29 C +ATOM 7 C PRO A 2 9.081 2.033 -5.254 1.00 81.83 C +ATOM 8 O PRO A 2 8.242 1.986 -6.148 1.00 78.91 O +ATOM 9 CB PRO A 2 10.401 4.150 -4.912 1.00 78.56 C +ATOM 10 CG PRO A 2 9.986 4.966 -6.077 1.00 73.80 C +ATOM 11 CD PRO A 2 10.649 4.322 -7.265 1.00 73.33 C +HETATM 12 N HYP A 3 8.929 1.481 -4.107 1.00 80.67 N +HETATM 13 CA HYP A 3 7.618 0.910 -3.732 1.00 82.45 C +HETATM 14 C HYP A 3 6.531 1.924 -3.824 1.00 85.65 C +HETATM 15 O HYP A 3 6.763 3.144 -3.624 1.00 87.07 O +HETATM 16 CB HYP A 3 7.863 0.473 -2.260 1.00 80.21 C +HETATM 17 CG HYP A 3 9.342 0.163 -2.208 1.00 76.08 C +HETATM 18 CD HYP A 3 9.935 1.274 -3.090 1.00 82.94 C +HETATM 19 OD1 HYP A 3 9.566 -1.092 -2.797 1.00 80.61 O +ATOM 20 N GLY A 4 5.360 1.444 -4.174 1.00 88.10 N +ATOM 21 CA GLY A 4 4.221 2.311 -4.255 1.00 87.55 C +ATOM 22 C GLY A 4 3.822 2.815 -2.885 1.00 87.84 C +ATOM 23 O GLY A 4 4.338 2.352 -1.863 1.00 87.25 O +ATOM 24 N PRO A 5 2.907 3.768 -2.846 1.00 86.00 N +ATOM 25 CA PRO A 5 2.461 4.312 -1.569 1.00 85.48 C +ATOM 26 C PRO A 5 1.606 3.316 -0.808 1.00 85.71 C +ATOM 27 O PRO A 5 1.092 2.357 -1.376 1.00 83.69 O +ATOM 28 CB PRO A 5 1.667 5.547 -1.972 1.00 82.77 C +ATOM 29 CG PRO A 5 1.136 5.191 -3.318 1.00 80.87 C +ATOM 30 CD PRO A 5 2.228 4.399 -3.968 1.00 82.18 C +HETATM 31 N HYP A 6 1.482 3.555 0.483 1.00 85.19 N +HETATM 32 CA HYP A 6 0.587 2.727 1.281 1.00 92.75 C +HETATM 33 C HYP A 6 -0.828 2.818 0.812 1.00 89.16 C +HETATM 34 O HYP A 6 -1.269 3.880 0.297 1.00 88.45 O +HETATM 35 CB HYP A 6 0.729 3.405 2.683 1.00 84.00 C +HETATM 36 CG HYP A 6 2.107 4.004 2.649 1.00 81.32 C +HETATM 37 CD HYP A 6 2.219 4.515 1.238 1.00 84.45 C +HETATM 38 OD1 HYP A 6 3.063 2.978 2.866 1.00 83.90 O +ATOM 39 N GLY A 7 -1.509 1.723 0.907 1.00 89.81 N +ATOM 40 CA GLY A 7 -2.885 1.689 0.510 1.00 88.76 C +ATOM 41 C GLY A 7 -3.728 2.538 1.440 1.00 88.82 C +ATOM 42 O GLY A 7 -3.257 3.014 2.474 1.00 87.57 O +ATOM 43 N PRO A 8 -4.979 2.747 1.074 1.00 87.42 N +ATOM 44 CA PRO A 8 -5.862 3.543 1.914 1.00 86.26 C +ATOM 45 C PRO A 8 -6.301 2.772 3.145 1.00 85.81 C +ATOM 46 O PRO A 8 -6.201 1.552 3.198 1.00 83.45 O +ATOM 47 CB PRO A 8 -7.039 3.840 0.998 1.00 83.22 C +ATOM 48 CG PRO A 8 -7.086 2.646 0.113 1.00 83.21 C +ATOM 49 CD PRO A 8 -5.650 2.287 -0.131 1.00 84.77 C +HETATM 50 N HYP A 9 -6.786 3.531 4.165 1.00 80.67 N +HETATM 51 CA HYP A 9 -7.341 2.893 5.299 1.00 85.69 C +HETATM 52 C HYP A 9 -8.574 2.111 4.954 1.00 83.35 C +HETATM 53 O HYP A 9 -9.315 2.490 4.036 1.00 83.90 O +HETATM 54 CB HYP A 9 -7.771 4.108 6.201 1.00 78.45 C +HETATM 55 CG HYP A 9 -6.878 5.196 5.794 1.00 75.06 C +HETATM 56 CD HYP A 9 -6.713 4.991 4.346 1.00 80.02 C +HETATM 57 OD1 HYP A 9 -5.624 5.037 6.440 1.00 77.47 O +ATOM 58 N GLY A 10 -8.818 1.018 5.598 1.00 85.73 N +ATOM 59 CA GLY A 10 -10.036 0.273 5.389 1.00 81.97 C +ATOM 60 C GLY A 10 -11.182 0.986 6.084 1.00 81.43 C +ATOM 61 O GLY A 10 -11.040 2.123 6.532 1.00 78.15 O +ATOM 62 N ASN A 11 -12.321 0.313 6.194 1.00 83.64 N +ATOM 63 CA ASN A 11 -13.428 0.903 6.942 1.00 86.11 C +ATOM 64 C ASN A 11 -12.952 1.269 8.338 1.00 85.43 C +ATOM 65 O ASN A 11 -13.315 2.315 8.877 1.00 82.63 O +ATOM 66 CB ASN A 11 -14.592 -0.082 7.023 1.00 82.66 C +ATOM 67 CG ASN A 11 -15.254 -0.298 5.682 1.00 76.34 C +ATOM 68 OD1 ASN A 11 -15.367 0.633 4.883 1.00 73.27 O +ATOM 69 ND2 ASN A 11 -15.704 -1.511 5.431 1.00 70.87 N +ATOM 70 N ILE A 12 -12.151 0.390 8.891 1.00 85.88 N +ATOM 71 CA ILE A 12 -11.427 0.608 10.135 1.00 87.46 C +ATOM 72 C ILE A 12 -10.116 -0.132 9.958 1.00 86.48 C +ATOM 73 O ILE A 12 -10.093 -1.237 9.416 1.00 81.09 O +ATOM 74 CB ILE A 12 -12.176 0.078 11.392 1.00 84.98 C +ATOM 75 CG1 ILE A 12 -12.611 -1.361 11.185 1.00 80.69 C +ATOM 76 CG2 ILE A 12 -13.354 0.965 11.732 1.00 78.42 C +ATOM 77 CD1 ILE A 12 -13.218 -1.989 12.430 1.00 72.15 C +ATOM 78 N GLY A 13 -9.032 0.470 10.388 1.00 88.31 N +ATOM 79 CA GLY A 13 -7.763 -0.208 10.290 1.00 86.89 C +ATOM 80 C GLY A 13 -6.703 0.627 9.621 1.00 87.34 C +ATOM 81 O GLY A 13 -6.973 1.707 9.090 1.00 86.94 O +ATOM 82 N PRO A 14 -5.476 0.144 9.654 1.00 86.43 N +ATOM 83 CA PRO A 14 -4.341 0.872 9.110 1.00 85.87 C +ATOM 84 C PRO A 14 -4.323 0.888 7.600 1.00 86.41 C +ATOM 85 O PRO A 14 -5.049 0.153 6.941 1.00 83.99 O +ATOM 86 CB PRO A 14 -3.148 0.111 9.673 1.00 83.30 C +ATOM 87 CG PRO A 14 -3.646 -1.288 9.758 1.00 83.54 C +ATOM 88 CD PRO A 14 -5.078 -1.147 10.203 1.00 83.44 C +HETATM 89 N HYP A 15 -3.475 1.745 7.104 1.00 85.37 N +HETATM 90 CA HYP A 15 -3.233 1.753 5.671 1.00 89.36 C +HETATM 91 C HYP A 15 -2.719 0.437 5.191 1.00 89.68 C +HETATM 92 O HYP A 15 -2.098 -0.312 5.963 1.00 87.75 O +HETATM 93 CB HYP A 15 -2.112 2.842 5.590 1.00 86.91 C +HETATM 94 CG HYP A 15 -2.368 3.732 6.790 1.00 82.08 C +HETATM 95 CD HYP A 15 -2.799 2.750 7.851 1.00 84.70 C +HETATM 96 OD1 HYP A 15 -3.409 4.619 6.495 1.00 83.98 O +ATOM 97 N GLY A 16 -2.996 0.141 3.952 1.00 91.23 N +ATOM 98 CA GLY A 16 -2.506 -1.071 3.364 1.00 90.65 C +ATOM 99 C GLY A 16 -1.002 -1.027 3.207 1.00 91.74 C +ATOM 100 O GLY A 16 -0.365 -0.002 3.454 1.00 91.31 O +ATOM 101 N PRO A 17 -0.418 -2.158 2.795 1.00 88.61 N +ATOM 102 CA PRO A 17 1.023 -2.208 2.621 1.00 88.35 C +ATOM 103 C PRO A 17 1.463 -1.410 1.407 1.00 89.63 C +ATOM 104 O PRO A 17 0.667 -1.086 0.534 1.00 87.54 O +ATOM 105 CB PRO A 17 1.299 -3.700 2.447 1.00 86.06 C +ATOM 106 CG PRO A 17 0.048 -4.212 1.839 1.00 86.28 C +ATOM 107 CD PRO A 17 -1.060 -3.430 2.490 1.00 87.13 C +HETATM 108 N HYP A 18 2.740 -1.091 1.360 1.00 82.89 N +HETATM 109 CA HYP A 18 3.290 -0.443 0.211 1.00 90.76 C +HETATM 110 C HYP A 18 3.114 -1.259 -1.037 1.00 86.47 C +HETATM 111 O HYP A 18 3.136 -2.517 -0.991 1.00 89.23 O +HETATM 112 CB HYP A 18 4.785 -0.353 0.563 1.00 86.83 C +HETATM 113 CG HYP A 18 4.795 -0.311 2.078 1.00 83.10 C +HETATM 114 CD HYP A 18 3.689 -1.274 2.415 1.00 87.33 C +HETATM 115 OD1 HYP A 18 4.436 0.999 2.514 1.00 86.32 O +ATOM 116 N GLY A 19 2.926 -0.599 -2.136 1.00 88.34 N +ATOM 117 CA GLY A 19 2.800 -1.260 -3.402 1.00 87.67 C +ATOM 118 C GLY A 19 4.128 -1.841 -3.840 1.00 88.44 C +ATOM 119 O GLY A 19 5.160 -1.607 -3.216 1.00 88.36 O +ATOM 120 N PRO A 20 4.107 -2.604 -4.916 1.00 76.10 N +ATOM 121 CA PRO A 20 5.327 -3.209 -5.415 1.00 76.47 C +ATOM 122 C PRO A 20 6.230 -2.174 -6.057 1.00 76.44 C +ATOM 123 O PRO A 20 5.810 -1.070 -6.382 1.00 76.49 O +ATOM 124 CB PRO A 20 4.816 -4.223 -6.433 1.00 74.54 C +ATOM 125 CG PRO A 20 3.557 -3.609 -6.928 1.00 71.74 C +ATOM 126 CD PRO A 20 2.946 -2.941 -5.725 1.00 72.10 C +HETATM 127 N HYP A 21 7.497 -2.544 -6.205 1.00 79.26 N +HETATM 128 CA HYP A 21 8.414 -1.694 -6.918 1.00 83.29 C +HETATM 129 C HYP A 21 7.953 -1.325 -8.312 1.00 79.65 C +HETATM 130 O HYP A 21 7.305 -2.153 -8.967 1.00 87.70 O +HETATM 131 CB HYP A 21 9.704 -2.502 -6.972 1.00 79.06 C +HETATM 132 CG HYP A 21 9.630 -3.382 -5.753 1.00 75.94 C +HETATM 133 CD HYP A 21 8.180 -3.725 -5.663 1.00 82.72 C +HETATM 134 OD1 HYP A 21 9.961 -2.605 -4.589 1.00 79.82 O +ATOM 135 N GLY A 22 8.162 -0.097 -8.690 1.00 83.64 N +ATOM 136 CA GLY A 22 7.778 0.361 -9.990 1.00 80.95 C +ATOM 137 C GLY A 22 8.657 -0.258 -11.062 1.00 80.74 C +ATOM 138 O GLY A 22 9.567 -1.032 -10.768 1.00 79.44 O +ATOM 139 N PRO A 23 8.410 0.091 -12.316 1.00 84.80 N +ATOM 140 CA PRO A 23 9.205 -0.462 -13.407 1.00 85.35 C +ATOM 141 C PRO A 23 10.638 0.016 -13.331 1.00 84.50 C +ATOM 142 O PRO A 23 10.945 1.025 -12.705 1.00 81.05 O +ATOM 143 CB PRO A 23 8.495 0.031 -14.652 1.00 80.86 C +ATOM 144 CG PRO A 23 7.829 1.286 -14.214 1.00 77.50 C +ATOM 145 CD PRO A 23 7.411 1.024 -12.798 1.00 79.14 C +HETATM 146 N HYP A 24 11.515 -0.615 -13.934 1.00 86.17 N +HETATM 147 CA HYP A 24 12.922 -0.261 -13.874 1.00 82.03 C +HETATM 148 C HYP A 24 13.196 1.161 -13.665 1.00 81.05 C +HETATM 149 O HYP A 24 13.670 1.876 -14.545 1.00 79.44 O +HETATM 150 CB HYP A 24 13.535 -0.883 -15.076 1.00 81.50 C +HETATM 151 CG HYP A 24 12.543 -1.850 -15.628 1.00 79.98 C +HETATM 152 CD HYP A 24 11.211 -1.472 -15.032 1.00 83.93 C +HETATM 153 OD1 HYP A 24 12.822 -3.171 -15.169 1.00 80.12 O +HETATM 154 OXT HYP A 24 12.922 1.574 -12.524 1.00 74.49 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_23.txt b/protein_pdb_23.txt new file mode 100644 index 0000000000000000000000000000000000000000..af275d82844ab91156e8367305a41d76ee5721de --- /dev/null +++ b/protein_pdb_23.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 17.438 -29.515 -8.605 1.00 89.74 N +ATOM 2 CA GLY A 1 18.062 -28.196 -8.656 1.00 91.94 C +ATOM 3 C GLY A 1 17.531 -27.302 -7.555 1.00 92.92 C +ATOM 4 O GLY A 1 16.569 -27.654 -6.874 1.00 90.15 O +ATOM 5 N PRO A 2 18.105 -26.122 -7.364 1.00 93.93 N +ATOM 6 CA PRO A 2 17.642 -25.204 -6.328 1.00 95.29 C +ATOM 7 C PRO A 2 16.275 -24.626 -6.664 1.00 95.51 C +ATOM 8 O PRO A 2 15.896 -24.532 -7.825 1.00 94.28 O +ATOM 9 CB PRO A 2 18.723 -24.115 -6.288 1.00 92.98 C +ATOM 10 CG PRO A 2 19.262 -24.121 -7.673 1.00 90.25 C +ATOM 11 CD PRO A 2 19.252 -25.572 -8.089 1.00 91.67 C +HETATM 12 N HYP A 3 15.580 -24.289 -5.691 1.00 95.15 N +HETATM 13 CA HYP A 3 14.255 -23.617 -5.842 1.00 93.95 C +HETATM 14 C HYP A 3 14.341 -22.301 -6.618 1.00 95.89 C +HETATM 15 O HYP A 3 15.361 -21.585 -6.539 1.00 94.34 O +HETATM 16 CB HYP A 3 13.866 -23.375 -4.390 1.00 93.23 C +HETATM 17 CG HYP A 3 14.639 -24.380 -3.577 1.00 91.74 C +HETATM 18 CD HYP A 3 15.971 -24.467 -4.309 1.00 94.55 C +HETATM 19 OD1 HYP A 3 14.040 -25.633 -3.580 1.00 93.15 O +ATOM 20 N GLY A 4 13.282 -21.979 -7.338 1.00 95.10 N +ATOM 21 CA GLY A 4 13.228 -20.738 -8.060 1.00 94.38 C +ATOM 22 C GLY A 4 13.013 -19.576 -7.099 1.00 94.61 C +ATOM 23 O GLY A 4 12.704 -19.779 -5.926 1.00 94.19 O +ATOM 24 N PRO A 5 13.153 -18.341 -7.592 1.00 96.50 N +ATOM 25 CA PRO A 5 12.973 -17.174 -6.731 1.00 96.56 C +ATOM 26 C PRO A 5 11.510 -16.963 -6.372 1.00 96.74 C +ATOM 27 O PRO A 5 10.613 -17.393 -7.095 1.00 96.06 O +ATOM 28 CB PRO A 5 13.527 -16.025 -7.568 1.00 95.08 C +ATOM 29 CG PRO A 5 13.258 -16.471 -8.967 1.00 93.24 C +ATOM 30 CD PRO A 5 13.519 -17.961 -8.944 1.00 94.84 C +HETATM 31 N HYP A 6 11.277 -16.311 -5.267 1.00 95.16 N +HETATM 32 CA HYP A 6 9.897 -15.908 -4.867 1.00 95.46 C +HETATM 33 C HYP A 6 9.234 -15.005 -5.884 1.00 95.39 C +HETATM 34 O HYP A 6 9.938 -14.262 -6.612 1.00 94.01 O +HETATM 35 CB HYP A 6 10.148 -15.155 -3.539 1.00 92.06 C +HETATM 36 CG HYP A 6 11.421 -15.732 -2.981 1.00 90.41 C +HETATM 37 CD HYP A 6 12.239 -15.974 -4.252 1.00 94.37 C +HETATM 38 OD1 HYP A 6 11.176 -16.941 -2.332 1.00 91.34 O +ATOM 39 N GLY A 7 7.917 -15.033 -5.964 1.00 96.60 N +ATOM 40 CA GLY A 7 7.181 -14.179 -6.860 1.00 96.06 C +ATOM 41 C GLY A 7 7.244 -12.727 -6.404 1.00 96.22 C +ATOM 42 O GLY A 7 7.736 -12.425 -5.322 1.00 95.91 O +ATOM 43 N PRO A 8 6.725 -11.819 -7.231 1.00 95.80 N +ATOM 44 CA PRO A 8 6.750 -10.400 -6.882 1.00 95.66 C +ATOM 45 C PRO A 8 5.795 -10.080 -5.743 1.00 95.73 C +ATOM 46 O PRO A 8 4.831 -10.804 -5.502 1.00 95.25 O +ATOM 47 CB PRO A 8 6.336 -9.713 -8.183 1.00 94.30 C +ATOM 48 CG PRO A 8 5.461 -10.734 -8.842 1.00 92.94 C +ATOM 49 CD PRO A 8 6.120 -12.051 -8.526 1.00 94.12 C +HETATM 50 N HYP A 9 6.023 -9.010 -5.053 1.00 95.05 N +HETATM 51 CA HYP A 9 5.134 -8.512 -4.001 1.00 95.19 C +HETATM 52 C HYP A 9 3.766 -8.171 -4.534 1.00 94.95 C +HETATM 53 O HYP A 9 3.639 -7.715 -5.701 1.00 94.36 O +HETATM 54 CB HYP A 9 5.846 -7.198 -3.507 1.00 92.41 C +HETATM 55 CG HYP A 9 7.281 -7.426 -3.835 1.00 91.52 C +HETATM 56 CD HYP A 9 7.199 -8.208 -5.138 1.00 93.79 C +HETATM 57 OD1 HYP A 9 7.885 -8.238 -2.843 1.00 89.90 O +ATOM 58 N GLY A 10 2.750 -8.354 -3.737 1.00 96.50 N +ATOM 59 CA GLY A 10 1.401 -8.036 -4.129 1.00 95.89 C +ATOM 60 C GLY A 10 1.216 -6.530 -4.275 1.00 96.01 C +ATOM 61 O GLY A 10 2.079 -5.742 -3.874 1.00 95.63 O +ATOM 62 N PRO A 11 0.063 -6.103 -4.832 1.00 96.29 N +ATOM 63 CA PRO A 11 -0.183 -4.672 -5.014 1.00 95.78 C +ATOM 64 C PRO A 11 -0.406 -3.960 -3.680 1.00 95.56 C +ATOM 65 O PRO A 11 -0.874 -4.551 -2.707 1.00 94.01 O +ATOM 66 CB PRO A 11 -1.435 -4.633 -5.886 1.00 94.53 C +ATOM 67 CG PRO A 11 -2.139 -5.894 -5.520 1.00 93.54 C +ATOM 68 CD PRO A 11 -1.039 -6.910 -5.332 1.00 94.70 C +ATOM 69 N ARG A 12 -0.064 -2.674 -3.652 1.00 95.19 N +ATOM 70 CA ARG A 12 -0.267 -1.864 -2.459 1.00 94.79 C +ATOM 71 C ARG A 12 -1.765 -1.670 -2.240 1.00 95.37 C +ATOM 72 O ARG A 12 -2.530 -1.606 -3.204 1.00 93.89 O +ATOM 73 CB ARG A 12 0.435 -0.509 -2.616 1.00 91.82 C +ATOM 74 CG ARG A 12 0.339 0.380 -1.383 1.00 84.53 C +ATOM 75 CD ARG A 12 1.062 1.692 -1.582 1.00 82.02 C +ATOM 76 NE ARG A 12 0.972 2.544 -0.393 1.00 77.91 N +ATOM 77 CZ ARG A 12 1.507 3.746 -0.284 1.00 75.38 C +ATOM 78 NH1 ARG A 12 2.175 4.280 -1.290 1.00 72.48 N +ATOM 79 NH2 ARG A 12 1.374 4.429 0.841 1.00 70.31 N +ATOM 80 N GLY A 13 -2.147 -1.592 -0.971 1.00 95.60 N +ATOM 81 CA GLY A 13 -3.540 -1.374 -0.644 1.00 94.84 C +ATOM 82 C GLY A 13 -4.011 0.009 -1.052 1.00 95.34 C +ATOM 83 O GLY A 13 -3.209 0.857 -1.440 1.00 95.16 O +ATOM 84 N PRO A 14 -5.331 0.267 -0.971 1.00 95.32 N +ATOM 85 CA PRO A 14 -5.875 1.566 -1.362 1.00 95.35 C +ATOM 86 C PRO A 14 -5.460 2.665 -0.391 1.00 95.62 C +ATOM 87 O PRO A 14 -5.099 2.400 0.751 1.00 95.06 O +ATOM 88 CB PRO A 14 -7.386 1.341 -1.343 1.00 94.12 C +ATOM 89 CG PRO A 14 -7.563 0.264 -0.330 1.00 92.42 C +ATOM 90 CD PRO A 14 -6.383 -0.648 -0.537 1.00 93.52 C +HETATM 91 N HYP A 15 -5.546 3.919 -0.825 1.00 91.65 N +HETATM 92 CA HYP A 15 -5.274 5.068 0.001 1.00 93.05 C +HETATM 93 C HYP A 15 -6.187 5.173 1.225 1.00 95.07 C +HETATM 94 O HYP A 15 -7.316 4.638 1.191 1.00 88.12 O +HETATM 95 CB HYP A 15 -5.529 6.214 -0.985 1.00 91.23 C +HETATM 96 CG HYP A 15 -5.230 5.608 -2.336 1.00 89.42 C +HETATM 97 CD HYP A 15 -5.781 4.236 -2.181 1.00 90.37 C +HETATM 98 OD1 HYP A 15 -3.847 5.538 -2.586 1.00 92.32 O +ATOM 99 N GLY A 16 -5.708 5.720 2.276 1.00 96.82 N +ATOM 100 CA GLY A 16 -6.506 5.906 3.456 1.00 96.15 C +ATOM 101 C GLY A 16 -7.581 6.951 3.221 1.00 96.34 C +ATOM 102 O GLY A 16 -7.614 7.603 2.180 1.00 96.27 O +ATOM 103 N PRO A 17 -8.487 7.129 4.207 1.00 94.53 N +ATOM 104 CA PRO A 17 -9.571 8.093 4.059 1.00 94.48 C +ATOM 105 C PRO A 17 -9.071 9.532 4.117 1.00 94.43 C +ATOM 106 O PRO A 17 -8.025 9.812 4.690 1.00 93.69 O +ATOM 107 CB PRO A 17 -10.490 7.766 5.233 1.00 92.79 C +ATOM 108 CG PRO A 17 -9.555 7.238 6.259 1.00 91.16 C +ATOM 109 CD PRO A 17 -8.555 6.425 5.483 1.00 92.67 C +HETATM 110 N HYP A 18 -9.803 10.450 3.566 1.00 93.08 N +HETATM 111 CA HYP A 18 -9.520 11.871 3.616 1.00 94.29 C +HETATM 112 C HYP A 18 -9.569 12.419 5.052 1.00 92.89 C +HETATM 113 O HYP A 18 -10.300 11.873 5.918 1.00 94.54 O +HETATM 114 CB HYP A 18 -10.668 12.461 2.819 1.00 92.59 C +HETATM 115 CG HYP A 18 -11.092 11.412 1.880 1.00 91.13 C +HETATM 116 CD HYP A 18 -10.898 10.159 2.689 1.00 90.54 C +HETATM 117 OD1 HYP A 18 -10.263 11.357 0.744 1.00 91.91 O +ATOM 118 N GLY A 19 -8.821 13.440 5.313 1.00 93.43 N +ATOM 119 CA GLY A 19 -8.829 14.067 6.599 1.00 92.89 C +ATOM 120 C GLY A 19 -10.147 14.783 6.835 1.00 93.10 C +ATOM 121 O GLY A 19 -10.995 14.871 5.941 1.00 92.92 O +ATOM 122 N PRO A 20 -10.349 15.337 8.042 1.00 93.62 N +ATOM 123 CA PRO A 20 -11.597 16.024 8.362 1.00 93.39 C +ATOM 124 C PRO A 20 -11.730 17.336 7.599 1.00 93.00 C +ATOM 125 O PRO A 20 -10.737 17.924 7.174 1.00 91.89 O +ATOM 126 CB PRO A 20 -11.492 16.243 9.874 1.00 91.02 C +ATOM 127 CG PRO A 20 -10.030 16.312 10.119 1.00 88.46 C +ATOM 128 CD PRO A 20 -9.437 15.300 9.181 1.00 91.07 C +HETATM 129 N HYP A 21 -12.933 17.849 7.469 1.00 95.15 N +HETATM 130 CA HYP A 21 -13.226 19.088 6.782 1.00 93.89 C +HETATM 131 C HYP A 21 -12.643 20.310 7.484 1.00 95.68 C +HETATM 132 O HYP A 21 -12.496 20.293 8.736 1.00 94.34 O +HETATM 133 CB HYP A 21 -14.768 19.195 6.900 1.00 93.09 C +HETATM 134 CG HYP A 21 -15.248 17.794 7.071 1.00 91.14 C +HETATM 135 CD HYP A 21 -14.142 17.157 7.859 1.00 93.94 C +HETATM 136 OD1 HYP A 21 -15.339 17.164 5.818 1.00 90.77 O +ATOM 137 N GLY A 22 -12.239 21.307 6.769 1.00 90.24 N +ATOM 138 CA GLY A 22 -11.729 22.521 7.335 1.00 89.76 C +ATOM 139 C GLY A 22 -12.861 23.298 7.997 1.00 90.00 C +ATOM 140 O GLY A 22 -14.026 22.906 7.916 1.00 88.74 O +ATOM 141 N PRO A 23 -12.563 24.446 8.626 1.00 92.74 N +ATOM 142 CA PRO A 23 -13.596 25.240 9.292 1.00 92.87 C +ATOM 143 C PRO A 23 -14.526 25.891 8.288 1.00 92.40 C +ATOM 144 O PRO A 23 -14.137 26.161 7.150 1.00 89.08 O +ATOM 145 CB PRO A 23 -12.796 26.266 10.086 1.00 89.52 C +ATOM 146 CG PRO A 23 -11.543 26.417 9.296 1.00 86.89 C +ATOM 147 CD PRO A 23 -11.237 25.029 8.792 1.00 89.52 C +HETATM 148 N HYP A 24 -15.769 26.277 8.689 1.00 92.75 N +HETATM 149 CA HYP A 24 -16.699 26.866 7.711 1.00 88.84 C +HETATM 150 C HYP A 24 -16.236 28.285 7.325 1.00 88.37 C +HETATM 151 O HYP A 24 -16.934 29.240 7.211 1.00 89.44 O +HETATM 152 CB HYP A 24 -18.003 27.059 8.584 1.00 91.02 C +HETATM 153 CG HYP A 24 -17.866 26.157 9.768 1.00 88.17 C +HETATM 154 CD HYP A 24 -16.354 26.081 10.012 1.00 90.97 C +HETATM 155 OD1 HYP A 24 -18.319 24.884 9.419 1.00 85.76 O +HETATM 156 OXT HYP A 24 -15.047 28.375 7.156 1.00 84.87 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_230.txt b/protein_pdb_230.txt new file mode 100644 index 0000000000000000000000000000000000000000..955b0a0a9cfe1e4aaf6be9e65edf17a96a535b62 --- /dev/null +++ b/protein_pdb_230.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -28.305 20.389 -2.244 1.00 84.64 N +ATOM 2 CA GLY A 1 -27.199 20.799 -3.103 1.00 87.22 C +ATOM 3 C GLY A 1 -26.578 19.631 -3.827 1.00 87.23 C +ATOM 4 O GLY A 1 -26.923 18.477 -3.561 1.00 84.73 O +ATOM 5 N PRO A 2 -25.651 19.885 -4.748 1.00 86.41 N +ATOM 6 CA PRO A 2 -25.010 18.808 -5.499 1.00 88.96 C +ATOM 7 C PRO A 2 -24.065 18.000 -4.620 1.00 88.52 C +ATOM 8 O PRO A 2 -23.630 18.449 -3.571 1.00 87.22 O +ATOM 9 CB PRO A 2 -24.247 19.553 -6.598 1.00 86.58 C +ATOM 10 CG PRO A 2 -23.939 20.871 -5.975 1.00 82.41 C +ATOM 11 CD PRO A 2 -25.156 21.196 -5.148 1.00 83.56 C +HETATM 12 N HYP A 3 -23.810 16.866 -5.023 1.00 86.25 N +HETATM 13 CA HYP A 3 -22.789 15.950 -4.351 1.00 83.46 C +HETATM 14 C HYP A 3 -21.408 16.597 -4.305 1.00 80.39 C +HETATM 15 O HYP A 3 -21.032 17.358 -5.199 1.00 84.88 O +HETATM 16 CB HYP A 3 -22.798 14.722 -5.261 1.00 79.37 C +HETATM 17 CG HYP A 3 -24.178 14.720 -5.957 1.00 77.58 C +HETATM 18 CD HYP A 3 -24.416 16.227 -6.189 1.00 81.68 C +HETATM 19 OD1 HYP A 3 -25.189 14.215 -5.133 1.00 84.56 O +ATOM 20 N GLY A 4 -20.663 16.316 -3.229 1.00 89.22 N +ATOM 21 CA GLY A 4 -19.329 16.853 -3.073 1.00 88.79 C +ATOM 22 C GLY A 4 -18.344 16.181 -4.021 1.00 88.71 C +ATOM 23 O GLY A 4 -18.675 15.200 -4.689 1.00 88.30 O +ATOM 24 N PRO A 5 -17.115 16.698 -4.078 1.00 87.30 N +ATOM 25 CA PRO A 5 -16.098 16.121 -4.958 1.00 88.29 C +ATOM 26 C PRO A 5 -15.650 14.749 -4.463 1.00 88.00 C +ATOM 27 O PRO A 5 -15.797 14.427 -3.290 1.00 86.92 O +ATOM 28 CB PRO A 5 -14.966 17.139 -4.912 1.00 85.72 C +ATOM 29 CG PRO A 5 -15.116 17.753 -3.562 1.00 83.46 C +ATOM 30 CD PRO A 5 -16.607 17.841 -3.341 1.00 85.35 C +HETATM 31 N HYP A 6 -15.121 13.985 -5.374 1.00 86.15 N +HETATM 32 CA HYP A 6 -14.504 12.658 -4.960 1.00 88.48 C +HETATM 33 C HYP A 6 -13.412 12.807 -3.977 1.00 86.68 C +HETATM 34 O HYP A 6 -12.666 13.817 -3.991 1.00 84.37 O +HETATM 35 CB HYP A 6 -13.999 12.154 -6.333 1.00 81.29 C +HETATM 36 CG HYP A 6 -14.909 12.801 -7.385 1.00 80.25 C +HETATM 37 CD HYP A 6 -15.112 14.181 -6.801 1.00 84.96 C +HETATM 38 OD1 HYP A 6 -16.133 12.118 -7.486 1.00 82.57 O +ATOM 39 N GLY A 7 -13.286 11.844 -3.031 1.00 90.44 N +ATOM 40 CA GLY A 7 -12.263 11.869 -2.012 1.00 89.27 C +ATOM 41 C GLY A 7 -10.887 11.577 -2.594 1.00 89.61 C +ATOM 42 O GLY A 7 -10.757 11.227 -3.770 1.00 89.05 O +ATOM 43 N PRO A 8 -9.847 11.694 -1.771 1.00 89.11 N +ATOM 44 CA PRO A 8 -8.487 11.431 -2.226 1.00 89.09 C +ATOM 45 C PRO A 8 -8.251 9.936 -2.438 1.00 88.51 C +ATOM 46 O PRO A 8 -8.977 9.105 -1.913 1.00 86.41 O +ATOM 47 CB PRO A 8 -7.629 11.984 -1.097 1.00 86.43 C +ATOM 48 CG PRO A 8 -8.481 11.797 0.105 1.00 86.21 C +ATOM 49 CD PRO A 8 -9.884 12.097 -0.372 1.00 88.11 C +HETATM 50 N HYP A 9 -7.241 9.594 -3.197 1.00 86.38 N +HETATM 51 CA HYP A 9 -6.821 8.191 -3.370 1.00 87.87 C +HETATM 52 C HYP A 9 -6.427 7.553 -2.119 1.00 86.29 C +HETATM 53 O HYP A 9 -5.908 8.224 -1.203 1.00 83.45 O +HETATM 54 CB HYP A 9 -5.632 8.357 -4.359 1.00 86.67 C +HETATM 55 CG HYP A 9 -5.889 9.646 -5.094 1.00 82.48 C +HETATM 56 CD HYP A 9 -6.499 10.480 -4.044 1.00 85.25 C +HETATM 57 OD1 HYP A 9 -6.800 9.444 -6.151 1.00 82.16 O +ATOM 58 N GLY A 10 -6.584 6.224 -1.979 1.00 87.66 N +ATOM 59 CA GLY A 10 -6.231 5.484 -0.797 1.00 85.76 C +ATOM 60 C GLY A 10 -4.734 5.536 -0.524 1.00 85.70 C +ATOM 61 O GLY A 10 -3.932 5.879 -1.392 1.00 83.38 O +ATOM 62 N VAL A 11 -4.348 5.164 0.705 1.00 85.83 N +ATOM 63 CA VAL A 11 -2.944 5.154 1.088 1.00 86.13 C +ATOM 64 C VAL A 11 -2.227 3.998 0.400 1.00 85.37 C +ATOM 65 O VAL A 11 -2.825 2.980 0.055 1.00 83.91 O +ATOM 66 CB VAL A 11 -2.768 5.041 2.613 1.00 83.58 C +ATOM 67 CG1 VAL A 11 -3.411 6.231 3.293 1.00 78.35 C +ATOM 68 CG2 VAL A 11 -3.350 3.746 3.133 1.00 78.74 C +ATOM 69 N ALA A 12 -0.921 4.169 0.193 1.00 82.45 N +ATOM 70 CA ALA A 12 -0.122 3.125 -0.418 1.00 82.72 C +ATOM 71 C ALA A 12 -0.078 1.900 0.481 1.00 83.41 C +ATOM 72 O ALA A 12 -0.175 2.009 1.708 1.00 78.83 O +ATOM 73 CB ALA A 12 1.297 3.631 -0.687 1.00 78.84 C +ATOM 74 N GLY A 13 0.059 0.738 -0.139 1.00 84.36 N +ATOM 75 CA GLY A 13 0.148 -0.490 0.620 1.00 82.76 C +ATOM 76 C GLY A 13 1.467 -0.608 1.359 1.00 83.03 C +ATOM 77 O GLY A 13 2.376 0.193 1.149 1.00 83.68 O +ATOM 78 N PRO A 14 1.599 -1.611 2.243 1.00 79.83 N +ATOM 79 CA PRO A 14 2.827 -1.800 3.009 1.00 82.77 C +ATOM 80 C PRO A 14 3.953 -2.310 2.120 1.00 82.70 C +ATOM 81 O PRO A 14 3.713 -2.849 1.047 1.00 83.56 O +ATOM 82 CB PRO A 14 2.441 -2.833 4.063 1.00 81.71 C +ATOM 83 CG PRO A 14 1.376 -3.631 3.392 1.00 79.15 C +ATOM 84 CD PRO A 14 0.591 -2.615 2.595 1.00 76.99 C +HETATM 85 N HYP A 15 5.190 -2.157 2.572 1.00 78.19 N +HETATM 86 CA HYP A 15 6.339 -2.698 1.884 1.00 74.85 C +HETATM 87 C HYP A 15 6.279 -4.229 1.747 1.00 80.89 C +HETATM 88 O HYP A 15 5.622 -4.889 2.573 1.00 74.65 O +HETATM 89 CB HYP A 15 7.479 -2.327 2.866 1.00 79.06 C +HETATM 90 CG HYP A 15 6.968 -1.093 3.545 1.00 75.75 C +HETATM 91 CD HYP A 15 5.535 -1.396 3.703 1.00 76.92 C +HETATM 92 OD1 HYP A 15 7.152 0.035 2.725 1.00 80.13 O +ATOM 93 N GLY A 16 6.847 -4.749 0.714 1.00 87.73 N +ATOM 94 CA GLY A 16 6.869 -6.176 0.515 1.00 86.18 C +ATOM 95 C GLY A 16 7.737 -6.854 1.563 1.00 86.10 C +ATOM 96 O GLY A 16 8.428 -6.197 2.338 1.00 87.10 O +ATOM 97 N PRO A 17 7.716 -8.201 1.590 1.00 75.04 N +ATOM 98 CA PRO A 17 8.512 -8.940 2.565 1.00 77.17 C +ATOM 99 C PRO A 17 10.001 -8.816 2.264 1.00 76.92 C +ATOM 100 O PRO A 17 10.395 -8.548 1.143 1.00 78.71 O +ATOM 101 CB PRO A 17 8.021 -10.375 2.419 1.00 76.00 C +ATOM 102 CG PRO A 17 7.563 -10.443 1.000 1.00 74.44 C +ATOM 103 CD PRO A 17 6.943 -9.097 0.730 1.00 72.67 C +HETATM 104 N HYP A 18 10.845 -9.040 3.259 1.00 78.85 N +HETATM 105 CA HYP A 18 12.275 -9.030 3.076 1.00 81.49 C +HETATM 106 C HYP A 18 12.754 -10.081 2.092 1.00 76.98 C +HETATM 107 O HYP A 18 12.159 -11.182 2.008 1.00 82.74 O +HETATM 108 CB HYP A 18 12.784 -9.381 4.491 1.00 78.55 C +HETATM 109 CG HYP A 18 11.703 -8.900 5.432 1.00 78.38 C +HETATM 110 CD HYP A 18 10.453 -9.202 4.643 1.00 80.62 C +HETATM 111 OD1 HYP A 18 11.800 -7.500 5.631 1.00 83.47 O +ATOM 112 N GLY A 19 13.763 -9.758 1.301 1.00 82.32 N +ATOM 113 CA GLY A 19 14.332 -10.687 0.370 1.00 80.65 C +ATOM 114 C GLY A 19 15.085 -11.783 1.103 1.00 80.42 C +ATOM 115 O GLY A 19 15.287 -11.714 2.317 1.00 79.82 O +ATOM 116 N PRO A 20 15.537 -12.816 0.373 1.00 75.02 N +ATOM 117 CA PRO A 20 16.259 -13.912 0.998 1.00 76.36 C +ATOM 118 C PRO A 20 17.650 -13.483 1.430 1.00 75.71 C +ATOM 119 O PRO A 20 18.201 -12.518 0.916 1.00 74.49 O +ATOM 120 CB PRO A 20 16.306 -14.969 -0.108 1.00 74.07 C +ATOM 121 CG PRO A 20 16.294 -14.163 -1.357 1.00 72.21 C +ATOM 122 CD PRO A 20 15.363 -13.007 -1.061 1.00 71.63 C +HETATM 123 N HYP A 21 18.263 -14.193 2.397 1.00 85.75 N +HETATM 124 CA HYP A 21 19.627 -13.936 2.792 1.00 82.96 C +HETATM 125 C HYP A 21 20.634 -14.110 1.664 1.00 82.39 C +HETATM 126 O HYP A 21 20.401 -14.933 0.773 1.00 86.57 O +HETATM 127 CB HYP A 21 19.861 -15.062 3.871 1.00 82.51 C +HETATM 128 CG HYP A 21 18.472 -15.375 4.424 1.00 77.67 C +HETATM 129 CD HYP A 21 17.587 -15.211 3.210 1.00 82.64 C +HETATM 130 OD1 HYP A 21 18.076 -14.408 5.398 1.00 82.68 O +ATOM 131 N GLY A 22 21.687 -13.326 1.614 1.00 82.62 N +ATOM 132 CA GLY A 22 22.710 -13.424 0.603 1.00 81.99 C +ATOM 133 C GLY A 22 23.458 -14.739 0.719 1.00 82.42 C +ATOM 134 O GLY A 22 23.279 -15.487 1.684 1.00 80.42 O +ATOM 135 N PRO A 23 24.342 -15.033 -0.240 1.00 81.70 N +ATOM 136 CA PRO A 23 25.095 -16.279 -0.205 1.00 83.46 C +ATOM 137 C PRO A 23 26.082 -16.283 0.950 1.00 82.74 C +ATOM 138 O PRO A 23 26.559 -15.233 1.376 1.00 79.24 O +ATOM 139 CB PRO A 23 25.786 -16.322 -1.561 1.00 79.00 C +ATOM 140 CG PRO A 23 25.920 -14.882 -1.932 1.00 76.16 C +ATOM 141 CD PRO A 23 24.663 -14.237 -1.417 1.00 76.12 C +HETATM 142 N HYP A 24 26.495 -17.433 1.475 1.00 81.28 N +HETATM 143 CA HYP A 24 27.434 -17.473 2.582 1.00 82.53 C +HETATM 144 C HYP A 24 28.659 -16.714 2.324 1.00 78.95 C +HETATM 145 O HYP A 24 29.377 -17.029 1.382 1.00 80.49 O +HETATM 146 CB HYP A 24 27.700 -18.979 2.806 1.00 81.84 C +HETATM 147 CG HYP A 24 26.549 -19.686 2.198 1.00 79.52 C +HETATM 148 CD HYP A 24 26.124 -18.765 1.040 1.00 81.34 C +HETATM 149 OD1 HYP A 24 25.484 -19.777 3.129 1.00 80.19 O +HETATM 150 OXT HYP A 24 28.847 -15.774 3.112 1.00 80.01 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_231.txt b/protein_pdb_231.txt new file mode 100644 index 0000000000000000000000000000000000000000..ca809342d554a28bbc2eb2744c5f0253cf8f9ab1 --- /dev/null +++ b/protein_pdb_231.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 12.603 -7.281 1.672 1.00 84.24 N +ATOM 2 CA GLY A 1 11.755 -7.567 0.528 1.00 87.51 C +ATOM 3 C GLY A 1 11.215 -6.300 -0.088 1.00 89.60 C +ATOM 4 O GLY A 1 11.506 -5.200 0.373 1.00 86.63 O +ATOM 5 N PRO A 2 10.368 -6.418 -1.149 1.00 85.94 N +ATOM 6 CA PRO A 2 9.818 -5.248 -1.822 1.00 88.15 C +ATOM 7 C PRO A 2 8.762 -4.553 -0.980 1.00 88.43 C +ATOM 8 O PRO A 2 8.219 -5.121 -0.041 1.00 85.73 O +ATOM 9 CB PRO A 2 9.211 -5.832 -3.097 1.00 84.44 C +ATOM 10 CG PRO A 2 8.873 -7.230 -2.732 1.00 80.99 C +ATOM 11 CD PRO A 2 9.926 -7.672 -1.762 1.00 82.89 C +HETATM 12 N HYP A 3 8.536 -3.308 -1.337 1.00 89.55 N +HETATM 13 CA HYP A 3 7.434 -2.568 -0.685 1.00 86.28 C +HETATM 14 C HYP A 3 6.141 -3.306 -0.801 1.00 89.68 C +HETATM 15 O HYP A 3 5.912 -4.004 -1.831 1.00 92.33 O +HETATM 16 CB HYP A 3 7.389 -1.239 -1.520 1.00 89.73 C +HETATM 17 CG HYP A 3 8.790 -1.066 -2.080 1.00 84.90 C +HETATM 18 CD HYP A 3 9.224 -2.524 -2.362 1.00 88.52 C +HETATM 19 OD1 HYP A 3 9.604 -0.539 -1.067 1.00 88.25 O +ATOM 20 N GLY A 4 5.333 -3.226 0.226 1.00 91.31 N +ATOM 21 CA GLY A 4 4.022 -3.820 0.195 1.00 90.97 C +ATOM 22 C GLY A 4 3.123 -3.131 -0.810 1.00 91.70 C +ATOM 23 O GLY A 4 3.429 -2.043 -1.298 1.00 91.68 O +ATOM 24 N PRO A 5 2.002 -3.768 -1.118 1.00 91.64 N +ATOM 25 CA PRO A 5 1.081 -3.188 -2.084 1.00 92.09 C +ATOM 26 C PRO A 5 0.350 -1.986 -1.500 1.00 91.70 C +ATOM 27 O PRO A 5 0.278 -1.815 -0.290 1.00 90.10 O +ATOM 28 CB PRO A 5 0.118 -4.334 -2.373 1.00 89.89 C +ATOM 29 CG PRO A 5 0.128 -5.133 -1.122 1.00 87.87 C +ATOM 30 CD PRO A 5 1.530 -5.039 -0.592 1.00 90.59 C +HETATM 31 N HYP A 6 -0.170 -1.164 -2.418 1.00 92.16 N +HETATM 32 CA HYP A 6 -1.014 -0.070 -1.991 1.00 91.55 C +HETATM 33 C HYP A 6 -2.197 -0.579 -1.222 1.00 93.45 C +HETATM 34 O HYP A 6 -2.649 -1.724 -1.442 1.00 92.71 O +HETATM 35 CB HYP A 6 -1.466 0.517 -3.368 1.00 90.67 C +HETATM 36 CG HYP A 6 -0.384 0.150 -4.346 1.00 89.24 C +HETATM 37 CD HYP A 6 0.040 -1.228 -3.868 1.00 92.00 C +HETATM 38 OD1 HYP A 6 0.695 1.040 -4.208 1.00 88.44 O +ATOM 39 N GLY A 7 -2.670 0.204 -0.315 1.00 92.43 N +ATOM 40 CA GLY A 7 -3.863 -0.135 0.416 1.00 91.45 C +ATOM 41 C GLY A 7 -5.060 -0.240 -0.503 1.00 92.34 C +ATOM 42 O GLY A 7 -5.019 0.170 -1.664 1.00 92.15 O +ATOM 43 N PRO A 8 -6.131 -0.795 0.023 1.00 92.60 N +ATOM 44 CA PRO A 8 -7.306 -1.009 -0.811 1.00 92.25 C +ATOM 45 C PRO A 8 -8.028 0.285 -1.139 1.00 92.42 C +ATOM 46 O PRO A 8 -8.078 1.214 -0.340 1.00 90.01 O +ATOM 47 CB PRO A 8 -8.174 -1.929 0.037 1.00 89.77 C +ATOM 48 CG PRO A 8 -7.767 -1.637 1.430 1.00 88.42 C +ATOM 49 CD PRO A 8 -6.301 -1.301 1.374 1.00 91.00 C +HETATM 50 N HYP A 9 -8.628 0.259 -2.341 1.00 88.69 N +HETATM 51 CA HYP A 9 -9.431 1.365 -2.785 1.00 90.05 C +HETATM 52 C HYP A 9 -10.763 1.236 -2.047 1.00 90.38 C +HETATM 53 O HYP A 9 -11.093 0.263 -1.415 1.00 90.15 O +HETATM 54 CB HYP A 9 -9.839 0.978 -4.233 1.00 88.09 C +HETATM 55 CG HYP A 9 -8.894 -0.090 -4.665 1.00 86.85 C +HETATM 56 CD HYP A 9 -8.519 -0.786 -3.413 1.00 89.31 C +HETATM 57 OD1 HYP A 9 -7.738 0.527 -5.191 1.00 86.28 O +ATOM 58 N GLY A 10 -11.645 2.068 -2.229 1.00 91.20 N +ATOM 59 CA GLY A 10 -12.996 1.890 -1.744 1.00 89.42 C +ATOM 60 C GLY A 10 -13.622 3.213 -1.386 1.00 88.97 C +ATOM 61 O GLY A 10 -13.043 4.281 -1.584 1.00 86.98 O +ATOM 62 N ASP A 11 -14.812 3.119 -0.834 1.00 89.72 N +ATOM 63 CA ASP A 11 -15.546 4.324 -0.471 1.00 91.32 C +ATOM 64 C ASP A 11 -14.874 5.092 0.659 1.00 91.58 C +ATOM 65 O ASP A 11 -15.196 6.259 0.877 1.00 88.26 O +ATOM 66 CB ASP A 11 -16.972 3.968 -0.069 1.00 88.83 C +ATOM 67 CG ASP A 11 -17.804 3.498 -1.240 1.00 83.28 C +ATOM 68 OD1 ASP A 11 -17.390 3.677 -2.402 1.00 81.67 O +ATOM 69 OD2 ASP A 11 -18.903 2.951 -0.990 1.00 79.86 O +ATOM 70 N GLU A 12 -13.966 4.446 1.376 1.00 84.72 N +ATOM 71 CA GLU A 12 -13.232 5.129 2.434 1.00 86.53 C +ATOM 72 C GLU A 12 -12.172 6.072 1.890 1.00 86.89 C +ATOM 73 O GLU A 12 -11.658 6.908 2.632 1.00 81.84 O +ATOM 74 CB GLU A 12 -12.602 4.110 3.379 1.00 80.52 C +ATOM 75 CG GLU A 12 -13.609 3.204 4.052 1.00 75.13 C +ATOM 76 CD GLU A 12 -14.706 3.974 4.752 1.00 70.42 C +ATOM 77 OE1 GLU A 12 -14.435 4.728 5.701 1.00 65.67 O +ATOM 78 OE2 GLU A 12 -15.884 3.871 4.304 1.00 66.89 O +ATOM 79 N GLY A 13 -11.806 5.936 0.625 1.00 92.97 N +ATOM 80 CA GLY A 13 -10.831 6.832 0.039 1.00 92.48 C +ATOM 81 C GLY A 13 -9.921 6.137 -0.943 1.00 93.43 C +ATOM 82 O GLY A 13 -10.156 4.992 -1.328 1.00 92.85 O +ATOM 83 N PRO A 14 -8.895 6.852 -1.365 1.00 92.80 N +ATOM 84 CA PRO A 14 -7.963 6.310 -2.352 1.00 92.86 C +ATOM 85 C PRO A 14 -7.095 5.213 -1.757 1.00 93.21 C +ATOM 86 O PRO A 14 -7.075 5.003 -0.549 1.00 91.59 O +ATOM 87 CB PRO A 14 -7.130 7.521 -2.754 1.00 91.10 C +ATOM 88 CG PRO A 14 -7.147 8.391 -1.551 1.00 89.96 C +ATOM 89 CD PRO A 14 -8.503 8.204 -0.932 1.00 91.35 C +HETATM 90 N HYP A 15 -6.353 4.597 -2.648 1.00 91.67 N +HETATM 91 CA HYP A 15 -5.467 3.554 -2.217 1.00 91.87 C +HETATM 92 C HYP A 15 -4.471 4.086 -1.205 1.00 92.48 C +HETATM 93 O HYP A 15 -4.028 5.261 -1.320 1.00 92.26 O +HETATM 94 CB HYP A 15 -4.721 3.154 -3.512 1.00 88.54 C +HETATM 95 CG HYP A 15 -5.624 3.626 -4.639 1.00 85.32 C +HETATM 96 CD HYP A 15 -6.254 4.891 -4.097 1.00 89.68 C +HETATM 97 OD1 HYP A 15 -6.639 2.690 -4.862 1.00 87.79 O +ATOM 98 N GLY A 16 -4.194 3.300 -0.217 1.00 93.94 N +ATOM 99 CA GLY A 16 -3.191 3.669 0.745 1.00 93.97 C +ATOM 100 C GLY A 16 -1.801 3.619 0.141 1.00 94.51 C +ATOM 101 O GLY A 16 -1.615 3.138 -0.983 1.00 94.05 O +ATOM 102 N PRO A 17 -0.842 4.122 0.882 1.00 91.63 N +ATOM 103 CA PRO A 17 0.528 4.105 0.387 1.00 92.05 C +ATOM 104 C PRO A 17 1.087 2.692 0.370 1.00 92.42 C +ATOM 105 O PRO A 17 0.576 1.799 1.039 1.00 90.93 O +ATOM 106 CB PRO A 17 1.276 4.984 1.389 1.00 90.12 C +ATOM 107 CG PRO A 17 0.487 4.841 2.641 1.00 88.40 C +ATOM 108 CD PRO A 17 -0.945 4.702 2.217 1.00 90.37 C +HETATM 109 N HYP A 18 2.160 2.520 -0.405 1.00 91.17 N +HETATM 110 CA HYP A 18 2.831 1.267 -0.389 1.00 90.55 C +HETATM 111 C HYP A 18 3.306 0.920 0.991 1.00 93.56 C +HETATM 112 O HYP A 18 3.675 1.824 1.776 1.00 91.54 O +HETATM 113 CB HYP A 18 4.055 1.514 -1.312 1.00 88.51 C +HETATM 114 CG HYP A 18 3.636 2.654 -2.221 1.00 87.30 C +HETATM 115 CD HYP A 18 2.771 3.506 -1.306 1.00 90.67 C +HETATM 116 OD1 HYP A 18 2.832 2.145 -3.280 1.00 88.70 O +ATOM 117 N GLY A 19 3.247 -0.339 1.318 1.00 90.63 N +ATOM 118 CA GLY A 19 3.752 -0.799 2.581 1.00 90.58 C +ATOM 119 C GLY A 19 5.257 -0.666 2.656 1.00 91.30 C +ATOM 120 O GLY A 19 5.928 -0.412 1.660 1.00 91.55 O +ATOM 121 N PRO A 20 5.783 -0.831 3.850 1.00 88.13 N +ATOM 122 CA PRO A 20 7.224 -0.736 4.019 1.00 89.06 C +ATOM 123 C PRO A 20 7.936 -1.928 3.395 1.00 88.91 C +ATOM 124 O PRO A 20 7.331 -2.959 3.132 1.00 88.93 O +ATOM 125 CB PRO A 20 7.396 -0.718 5.536 1.00 86.41 C +ATOM 126 CG PRO A 20 6.213 -1.467 6.034 1.00 82.91 C +ATOM 127 CD PRO A 20 5.092 -1.144 5.092 1.00 86.10 C +HETATM 128 N HYP A 21 9.232 -1.727 3.171 1.00 90.25 N +HETATM 129 CA HYP A 21 10.012 -2.835 2.689 1.00 87.66 C +HETATM 130 C HYP A 21 9.932 -4.043 3.585 1.00 90.67 C +HETATM 131 O HYP A 21 9.790 -3.876 4.804 1.00 93.55 O +HETATM 132 CB HYP A 21 11.438 -2.265 2.636 1.00 87.71 C +HETATM 133 CG HYP A 21 11.260 -0.765 2.471 1.00 83.47 C +HETATM 134 CD HYP A 21 10.014 -0.473 3.286 1.00 89.46 C +HETATM 135 OD1 HYP A 21 10.961 -0.474 1.100 1.00 86.01 O +ATOM 136 N GLY A 22 9.891 -5.202 3.003 1.00 88.80 N +ATOM 137 CA GLY A 22 9.858 -6.423 3.754 1.00 87.19 C +ATOM 138 C GLY A 22 11.153 -6.645 4.517 1.00 87.02 C +ATOM 139 O GLY A 22 12.065 -5.826 4.479 1.00 86.51 O +ATOM 140 N PRO A 23 11.238 -7.770 5.208 1.00 91.31 N +ATOM 141 CA PRO A 23 12.440 -8.050 5.983 1.00 91.39 C +ATOM 142 C PRO A 23 13.655 -8.186 5.087 1.00 90.22 C +ATOM 143 O PRO A 23 13.552 -8.511 3.909 1.00 86.16 O +ATOM 144 CB PRO A 23 12.111 -9.358 6.689 1.00 87.58 C +ATOM 145 CG PRO A 23 11.047 -9.972 5.874 1.00 85.38 C +ATOM 146 CD PRO A 23 10.268 -8.838 5.269 1.00 88.05 C +HETATM 147 N HYP A 24 14.728 -7.960 5.556 1.00 90.66 N +HETATM 148 CA HYP A 24 15.941 -7.952 4.719 1.00 80.13 C +HETATM 149 C HYP A 24 15.810 -8.741 3.492 1.00 89.99 C +HETATM 150 O HYP A 24 16.732 -8.759 2.672 1.00 84.45 O +HETATM 151 CB HYP A 24 17.023 -8.315 5.678 1.00 83.44 C +HETATM 152 CG HYP A 24 16.495 -8.085 7.102 1.00 81.20 C +HETATM 153 CD HYP A 24 14.997 -8.152 6.953 1.00 87.73 C +HETATM 154 OD1 HYP A 24 16.801 -6.767 7.539 1.00 83.67 O +HETATM 155 OXT HYP A 24 14.877 -9.513 3.320 1.00 83.46 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_232.txt b/protein_pdb_232.txt new file mode 100644 index 0000000000000000000000000000000000000000..07cbb9fca0bae5ae686f3e7f23008168f825c3d9 --- /dev/null +++ b/protein_pdb_232.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 5.833 -14.625 -6.613 1.00 89.94 N +ATOM 2 CA GLY A 1 5.003 -13.691 -7.318 1.00 91.10 C +ATOM 3 C GLY A 1 5.481 -12.265 -7.187 1.00 92.00 C +ATOM 4 O GLY A 1 6.364 -11.969 -6.391 1.00 90.09 O +ATOM 5 N PRO A 2 4.922 -11.458 -7.901 1.00 90.61 N +ATOM 6 CA PRO A 2 5.294 -10.053 -7.876 1.00 91.37 C +ATOM 7 C PRO A 2 4.748 -9.336 -6.654 1.00 91.21 C +ATOM 8 O PRO A 2 3.876 -9.840 -5.957 1.00 88.58 O +ATOM 9 CB PRO A 2 4.669 -9.512 -9.160 1.00 88.30 C +ATOM 10 CG PRO A 2 3.478 -10.372 -9.359 1.00 84.99 C +ATOM 11 CD PRO A 2 3.856 -11.736 -8.866 1.00 87.61 C +HETATM 12 N HYP A 3 5.289 -8.146 -6.438 1.00 90.07 N +HETATM 13 CA HYP A 3 4.789 -7.340 -5.334 1.00 88.45 C +HETATM 14 C HYP A 3 3.322 -7.011 -5.527 1.00 90.67 C +HETATM 15 O HYP A 3 2.839 -6.919 -6.674 1.00 92.79 O +HETATM 16 CB HYP A 3 5.632 -6.031 -5.475 1.00 89.61 C +HETATM 17 CG HYP A 3 6.903 -6.480 -6.150 1.00 85.75 C +HETATM 18 CD HYP A 3 6.404 -7.564 -7.125 1.00 88.92 C +HETATM 19 OD1 HYP A 3 7.731 -7.067 -5.192 1.00 87.37 O +ATOM 20 N GLY A 4 2.633 -6.918 -4.423 1.00 92.94 N +ATOM 21 CA GLY A 4 1.244 -6.547 -4.454 1.00 92.65 C +ATOM 22 C GLY A 4 1.059 -5.103 -4.874 1.00 93.72 C +ATOM 23 O GLY A 4 2.014 -4.347 -5.023 1.00 93.47 O +ATOM 24 N PRO A 5 -0.189 -4.707 -5.076 1.00 92.71 N +ATOM 25 CA PRO A 5 -0.470 -3.340 -5.487 1.00 93.17 C +ATOM 26 C PRO A 5 -0.210 -2.358 -4.362 1.00 93.00 C +ATOM 27 O PRO A 5 -0.175 -2.715 -3.194 1.00 90.75 O +ATOM 28 CB PRO A 5 -1.955 -3.386 -5.845 1.00 91.32 C +ATOM 29 CG PRO A 5 -2.496 -4.474 -4.993 1.00 89.36 C +ATOM 30 CD PRO A 5 -1.401 -5.497 -4.892 1.00 91.94 C +HETATM 31 N HYP A 6 -0.006 -1.100 -4.744 1.00 92.37 N +HETATM 32 CA HYP A 6 0.110 -0.043 -3.765 1.00 92.75 C +HETATM 33 C HYP A 6 -1.101 0.027 -2.893 1.00 92.39 C +HETATM 34 O HYP A 6 -2.233 -0.311 -3.315 1.00 92.58 O +HETATM 35 CB HYP A 6 0.183 1.216 -4.667 1.00 88.47 C +HETATM 36 CG HYP A 6 0.776 0.718 -5.951 1.00 87.74 C +HETATM 37 CD HYP A 6 0.130 -0.643 -6.100 1.00 90.97 C +HETATM 38 OD1 HYP A 6 2.168 0.565 -5.788 1.00 87.91 O +ATOM 39 N GLY A 7 -0.888 0.392 -1.670 1.00 93.11 N +ATOM 40 CA GLY A 7 -1.971 0.584 -0.746 1.00 92.46 C +ATOM 41 C GLY A 7 -2.874 1.716 -1.175 1.00 93.40 C +ATOM 42 O GLY A 7 -2.573 2.472 -2.094 1.00 93.02 O +ATOM 43 N PRO A 8 -4.011 1.825 -0.513 1.00 93.50 N +ATOM 44 CA PRO A 8 -4.965 2.867 -0.879 1.00 93.56 C +ATOM 45 C PRO A 8 -4.457 4.247 -0.490 1.00 93.51 C +ATOM 46 O PRO A 8 -3.674 4.403 0.441 1.00 91.19 O +ATOM 47 CB PRO A 8 -6.218 2.493 -0.092 1.00 91.29 C +ATOM 48 CG PRO A 8 -5.701 1.750 1.076 1.00 89.81 C +ATOM 49 CD PRO A 8 -4.475 1.012 0.602 1.00 92.41 C +HETATM 50 N HYP A 9 -4.954 5.235 -1.196 1.00 90.08 N +HETATM 51 CA HYP A 9 -4.631 6.589 -0.890 1.00 88.39 C +HETATM 52 C HYP A 9 -5.278 6.992 0.422 1.00 90.59 C +HETATM 53 O HYP A 9 -6.352 6.482 0.799 1.00 89.47 O +HETATM 54 CB HYP A 9 -5.393 7.386 -2.010 1.00 85.71 C +HETATM 55 CG HYP A 9 -5.652 6.398 -3.097 1.00 84.30 C +HETATM 56 CD HYP A 9 -5.786 5.099 -2.419 1.00 88.78 C +HETATM 57 OD1 HYP A 9 -4.497 6.348 -3.916 1.00 85.21 O +ATOM 58 N GLY A 10 -4.660 7.803 1.189 1.00 91.50 N +ATOM 59 CA GLY A 10 -5.316 8.446 2.301 1.00 89.70 C +ATOM 60 C GLY A 10 -6.267 9.512 1.793 1.00 90.26 C +ATOM 61 O GLY A 10 -6.403 9.732 0.591 1.00 88.69 O +ATOM 62 N ASP A 11 -6.916 10.179 2.721 1.00 86.74 N +ATOM 63 CA ASP A 11 -7.846 11.230 2.309 1.00 90.08 C +ATOM 64 C ASP A 11 -7.171 12.246 1.394 1.00 90.14 C +ATOM 65 O ASP A 11 -7.775 12.712 0.429 1.00 87.27 O +ATOM 66 CB ASP A 11 -8.411 11.951 3.530 1.00 88.04 C +ATOM 67 CG ASP A 11 -9.453 11.134 4.257 1.00 82.20 C +ATOM 68 OD1 ASP A 11 -9.862 10.072 3.748 1.00 80.34 O +ATOM 69 OD2 ASP A 11 -9.875 11.570 5.355 1.00 78.79 O +ATOM 70 N THR A 12 -5.935 12.590 1.725 1.00 90.77 N +ATOM 71 CA THR A 12 -5.132 13.474 0.893 1.00 91.70 C +ATOM 72 C THR A 12 -3.733 12.911 0.671 1.00 91.35 C +ATOM 73 O THR A 12 -2.857 13.611 0.156 1.00 88.20 O +ATOM 74 CB THR A 12 -5.010 14.878 1.534 1.00 89.08 C +ATOM 75 OG1 THR A 12 -4.376 14.757 2.799 1.00 85.68 O +ATOM 76 CG2 THR A 12 -6.378 15.517 1.722 1.00 83.32 C +ATOM 77 N GLY A 13 -3.514 11.683 1.044 1.00 92.76 N +ATOM 78 CA GLY A 13 -2.179 11.115 1.075 1.00 91.70 C +ATOM 79 C GLY A 13 -1.873 10.229 -0.105 1.00 92.61 C +ATOM 80 O GLY A 13 -2.755 9.857 -0.879 1.00 92.21 O +ATOM 81 N PRO A 14 -0.620 9.894 -0.248 1.00 92.13 N +ATOM 82 CA PRO A 14 -0.188 9.038 -1.341 1.00 92.17 C +ATOM 83 C PRO A 14 -0.594 7.594 -1.105 1.00 92.52 C +ATOM 84 O PRO A 14 -0.942 7.197 0.003 1.00 90.61 O +ATOM 85 CB PRO A 14 1.335 9.183 -1.326 1.00 90.02 C +ATOM 86 CG PRO A 14 1.644 9.419 0.110 1.00 88.88 C +ATOM 87 CD PRO A 14 0.504 10.250 0.640 1.00 90.18 C +HETATM 88 N HYP A 15 -0.499 6.858 -2.160 1.00 92.28 N +HETATM 89 CA HYP A 15 -0.703 5.426 -2.041 1.00 92.35 C +HETATM 90 C HYP A 15 0.323 4.810 -1.145 1.00 93.35 C +HETATM 91 O HYP A 15 1.452 5.324 -1.009 1.00 92.54 O +HETATM 92 CB HYP A 15 -0.447 4.973 -3.506 1.00 89.08 C +HETATM 93 CG HYP A 15 -0.726 6.191 -4.361 1.00 86.60 C +HETATM 94 CD HYP A 15 -0.238 7.318 -3.516 1.00 90.58 C +HETATM 95 OD1 HYP A 15 -2.107 6.319 -4.561 1.00 88.19 O +ATOM 96 N GLY A 16 -0.066 3.774 -0.476 1.00 93.34 N +ATOM 97 CA GLY A 16 0.875 3.027 0.314 1.00 93.19 C +ATOM 98 C GLY A 16 1.860 2.284 -0.558 1.00 94.03 C +ATOM 99 O GLY A 16 1.747 2.273 -1.786 1.00 93.75 O +ATOM 100 N PRO A 17 2.842 1.672 0.081 1.00 91.42 N +ATOM 101 CA PRO A 17 3.839 0.928 -0.673 1.00 91.76 C +ATOM 102 C PRO A 17 3.253 -0.343 -1.269 1.00 92.32 C +ATOM 103 O PRO A 17 2.205 -0.817 -0.842 1.00 90.18 O +ATOM 104 CB PRO A 17 4.908 0.612 0.372 1.00 89.77 C +ATOM 105 CG PRO A 17 4.164 0.597 1.655 1.00 88.30 C +ATOM 106 CD PRO A 17 3.071 1.612 1.524 1.00 90.38 C +HETATM 107 N HYP A 18 3.956 -0.863 -2.269 1.00 90.75 N +HETATM 108 CA HYP A 18 3.561 -2.129 -2.792 1.00 90.07 C +HETATM 109 C HYP A 18 3.554 -3.200 -1.753 1.00 91.65 C +HETATM 110 O HYP A 18 4.341 -3.150 -0.789 1.00 90.73 O +HETATM 111 CB HYP A 18 4.695 -2.407 -3.814 1.00 88.13 C +HETATM 112 CG HYP A 18 5.162 -1.036 -4.243 1.00 85.80 C +HETATM 113 CD HYP A 18 5.071 -0.263 -2.954 1.00 90.68 C +HETATM 114 OD1 HYP A 18 4.250 -0.514 -5.188 1.00 87.45 O +ATOM 115 N GLY A 19 2.657 -4.113 -1.889 1.00 89.52 N +ATOM 116 CA GLY A 19 2.598 -5.240 -1.004 1.00 89.16 C +ATOM 117 C GLY A 19 3.807 -6.137 -1.161 1.00 90.32 C +ATOM 118 O GLY A 19 4.634 -5.948 -2.050 1.00 90.85 O +ATOM 119 N PRO A 20 3.901 -7.123 -0.294 1.00 85.21 N +ATOM 120 CA PRO A 20 5.028 -8.038 -0.359 1.00 86.28 C +ATOM 121 C PRO A 20 4.940 -8.941 -1.577 1.00 86.21 C +ATOM 122 O PRO A 20 3.875 -9.103 -2.167 1.00 85.96 O +ATOM 123 CB PRO A 20 4.895 -8.842 0.930 1.00 83.57 C +ATOM 124 CG PRO A 20 3.439 -8.804 1.228 1.00 80.79 C +ATOM 125 CD PRO A 20 2.956 -7.465 0.757 1.00 83.19 C +HETATM 126 N HYP A 21 6.079 -9.497 -1.921 1.00 88.86 N +HETATM 127 CA HYP A 21 6.086 -10.449 -2.992 1.00 86.99 C +HETATM 128 C HYP A 21 5.157 -11.611 -2.732 1.00 89.59 C +HETATM 129 O HYP A 21 5.004 -12.007 -1.586 1.00 91.52 O +HETATM 130 CB HYP A 21 7.518 -10.917 -3.083 1.00 86.27 C +HETATM 131 CG HYP A 21 8.321 -9.803 -2.491 1.00 81.83 C +HETATM 132 CD HYP A 21 7.425 -9.265 -1.401 1.00 88.54 C +HETATM 133 OD1 HYP A 21 8.489 -8.780 -3.484 1.00 82.38 O +ATOM 134 N GLY A 22 4.486 -12.035 -3.759 1.00 86.24 N +ATOM 135 CA GLY A 22 3.640 -13.189 -3.656 1.00 84.18 C +ATOM 136 C GLY A 22 4.463 -14.455 -3.506 1.00 84.60 C +ATOM 137 O GLY A 22 5.687 -14.431 -3.565 1.00 84.27 O +ATOM 138 N PRO A 23 3.786 -15.579 -3.327 1.00 89.03 N +ATOM 139 CA PRO A 23 4.499 -16.847 -3.211 1.00 89.58 C +ATOM 140 C PRO A 23 5.197 -17.168 -4.515 1.00 88.24 C +ATOM 141 O PRO A 23 4.561 -17.201 -5.566 1.00 84.04 O +ATOM 142 CB PRO A 23 3.400 -17.866 -2.923 1.00 85.63 C +ATOM 143 CG PRO A 23 2.179 -17.077 -2.668 1.00 82.28 C +ATOM 144 CD PRO A 23 2.351 -15.730 -3.278 1.00 85.82 C +HETATM 145 N HYP A 24 6.394 -17.267 -4.569 1.00 92.79 N +HETATM 146 CA HYP A 24 7.164 -17.303 -5.868 1.00 87.21 C +HETATM 147 C HYP A 24 7.030 -16.228 -6.744 1.00 91.96 C +HETATM 148 O HYP A 24 6.781 -16.375 -7.993 1.00 91.10 O +HETATM 149 CB HYP A 24 8.425 -17.909 -5.438 1.00 86.22 C +HETATM 150 CG HYP A 24 8.050 -18.790 -4.233 1.00 84.91 C +HETATM 151 CD HYP A 24 6.806 -18.166 -3.632 1.00 90.37 C +HETATM 152 OD1 HYP A 24 9.072 -18.751 -3.256 1.00 86.25 O +HETATM 153 OXT HYP A 24 7.733 -15.107 -6.562 1.00 87.32 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_233.txt b/protein_pdb_233.txt new file mode 100644 index 0000000000000000000000000000000000000000..591e3bb6329bb3ccb0030ba903a0223a4bfcdefc --- /dev/null +++ b/protein_pdb_233.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 9.234 -6.718 -9.406 1.00 76.21 N +ATOM 2 CA GLY A 1 8.323 -5.720 -9.941 1.00 77.44 C +ATOM 3 C GLY A 1 8.259 -4.515 -9.045 1.00 78.93 C +ATOM 4 O GLY A 1 8.908 -4.471 -7.999 1.00 74.87 O +ATOM 5 N PRO A 2 7.476 -3.528 -9.431 1.00 77.51 N +ATOM 6 CA PRO A 2 7.369 -2.309 -8.645 1.00 79.29 C +ATOM 7 C PRO A 2 6.634 -2.538 -7.336 1.00 79.63 C +ATOM 8 O PRO A 2 5.919 -3.522 -7.167 1.00 76.43 O +ATOM 9 CB PRO A 2 6.597 -1.360 -9.556 1.00 75.83 C +ATOM 10 CG PRO A 2 5.797 -2.259 -10.422 1.00 71.43 C +ATOM 11 CD PRO A 2 6.644 -3.473 -10.634 1.00 70.31 C +HETATM 12 N HYP A 3 6.848 -1.671 -6.462 1.00 77.37 N +HETATM 13 CA HYP A 3 6.100 -1.680 -5.175 1.00 76.85 C +HETATM 14 C HYP A 3 4.617 -1.626 -5.417 1.00 78.85 C +HETATM 15 O HYP A 3 4.162 -1.060 -6.448 1.00 85.57 O +HETATM 16 CB HYP A 3 6.626 -0.396 -4.503 1.00 80.32 C +HETATM 17 CG HYP A 3 8.014 -0.183 -5.099 1.00 76.20 C +HETATM 18 CD HYP A 3 7.808 -0.612 -6.571 1.00 81.13 C +HETATM 19 OD1 HYP A 3 8.905 -1.075 -4.489 1.00 81.41 O +ATOM 20 N GLY A 4 3.891 -2.240 -4.539 1.00 86.20 N +ATOM 21 CA GLY A 4 2.461 -2.196 -4.633 1.00 85.15 C +ATOM 22 C GLY A 4 1.940 -0.803 -4.345 1.00 85.14 C +ATOM 23 O GLY A 4 2.691 0.091 -3.965 1.00 83.87 O +ATOM 24 N PRO A 5 0.642 -0.624 -4.535 1.00 85.70 N +ATOM 25 CA PRO A 5 0.041 0.678 -4.285 1.00 84.88 C +ATOM 26 C PRO A 5 -0.019 0.989 -2.805 1.00 85.41 C +ATOM 27 O PRO A 5 0.114 0.110 -1.961 1.00 83.38 O +ATOM 28 CB PRO A 5 -1.355 0.540 -4.893 1.00 82.63 C +ATOM 29 CG PRO A 5 -1.653 -0.909 -4.787 1.00 81.83 C +ATOM 30 CD PRO A 5 -0.343 -1.607 -4.991 1.00 82.11 C +HETATM 31 N HYP A 6 -0.214 2.262 -2.511 1.00 83.79 N +HETATM 32 CA HYP A 6 -0.384 2.674 -1.131 1.00 86.95 C +HETATM 33 C HYP A 6 -1.547 1.982 -0.478 1.00 85.06 C +HETATM 34 O HYP A 6 -2.548 1.652 -1.183 1.00 86.64 O +HETATM 35 CB HYP A 6 -0.643 4.190 -1.296 1.00 80.86 C +HETATM 36 CG HYP A 6 0.068 4.563 -2.593 1.00 80.92 C +HETATM 37 CD HYP A 6 -0.227 3.372 -3.460 1.00 83.48 C +HETATM 38 OD1 HYP A 6 1.450 4.663 -2.368 1.00 82.77 O +ATOM 39 N GLY A 7 -1.401 1.681 0.761 1.00 85.51 N +ATOM 40 CA GLY A 7 -2.458 1.047 1.493 1.00 83.66 C +ATOM 41 C GLY A 7 -3.658 1.956 1.635 1.00 83.92 C +ATOM 42 O GLY A 7 -3.648 3.105 1.181 1.00 82.25 O +ATOM 43 N PRO A 8 -4.703 1.443 2.265 1.00 85.32 N +ATOM 44 CA PRO A 8 -5.915 2.227 2.422 1.00 84.56 C +ATOM 45 C PRO A 8 -5.733 3.364 3.406 1.00 85.21 C +ATOM 46 O PRO A 8 -4.905 3.308 4.311 1.00 82.00 O +ATOM 47 CB PRO A 8 -6.931 1.211 2.930 1.00 81.25 C +ATOM 48 CG PRO A 8 -6.104 0.204 3.638 1.00 81.52 C +ATOM 49 CD PRO A 8 -4.812 0.129 2.871 1.00 81.58 C +HETATM 50 N HYP A 9 -6.546 4.382 3.238 1.00 79.17 N +HETATM 51 CA HYP A 9 -6.536 5.486 4.127 1.00 82.99 C +HETATM 52 C HYP A 9 -7.074 5.062 5.480 1.00 81.25 C +HETATM 53 O HYP A 9 -7.894 4.123 5.562 1.00 81.80 O +HETATM 54 CB HYP A 9 -7.596 6.448 3.490 1.00 75.35 C +HETATM 55 CG HYP A 9 -7.656 6.058 2.047 1.00 74.69 C +HETATM 56 CD HYP A 9 -7.448 4.593 2.073 1.00 80.28 C +HETATM 57 OD1 HYP A 9 -6.589 6.658 1.354 1.00 75.59 O +ATOM 58 N GLY A 10 -6.610 5.655 6.511 1.00 82.26 N +ATOM 59 CA GLY A 10 -7.247 5.470 7.793 1.00 79.57 C +ATOM 60 C GLY A 10 -8.579 6.199 7.781 1.00 79.63 C +ATOM 61 O GLY A 10 -9.005 6.737 6.759 1.00 76.70 O +ATOM 62 N VAL A 11 -9.226 6.227 8.920 1.00 75.59 N +ATOM 63 CA VAL A 11 -10.437 7.034 9.017 1.00 78.11 C +ATOM 64 C VAL A 11 -9.961 8.488 9.056 1.00 77.33 C +ATOM 65 O VAL A 11 -9.596 9.014 10.104 1.00 75.02 O +ATOM 66 CB VAL A 11 -11.267 6.641 10.245 1.00 76.79 C +ATOM 67 CG1 VAL A 11 -12.464 7.568 10.394 1.00 70.01 C +ATOM 68 CG2 VAL A 11 -11.743 5.202 10.114 1.00 70.75 C +ATOM 69 N LYS A 12 -9.920 9.074 7.884 1.00 76.30 N +ATOM 70 CA LYS A 12 -9.316 10.374 7.621 1.00 79.01 C +ATOM 71 C LYS A 12 -7.846 10.398 8.058 1.00 78.28 C +ATOM 72 O LYS A 12 -7.370 11.354 8.662 1.00 73.81 O +ATOM 73 CB LYS A 12 -10.121 11.517 8.242 1.00 73.55 C +ATOM 74 CG LYS A 12 -11.263 11.957 7.336 1.00 68.95 C +ATOM 75 CD LYS A 12 -11.809 13.311 7.701 1.00 64.72 C +ATOM 76 CE LYS A 12 -12.785 13.824 6.663 1.00 61.58 C +ATOM 77 NZ LYS A 12 -12.173 14.804 5.751 1.00 57.01 N +ATOM 78 N GLY A 13 -7.144 9.347 7.683 1.00 85.16 N +ATOM 79 CA GLY A 13 -5.719 9.249 7.914 1.00 83.41 C +ATOM 80 C GLY A 13 -5.007 9.067 6.595 1.00 83.54 C +ATOM 81 O GLY A 13 -5.642 8.895 5.556 1.00 83.01 O +ATOM 82 N PRO A 14 -3.695 9.117 6.619 1.00 86.23 N +ATOM 83 CA PRO A 14 -2.934 8.962 5.385 1.00 85.47 C +ATOM 84 C PRO A 14 -3.017 7.540 4.860 1.00 86.11 C +ATOM 85 O PRO A 14 -3.334 6.604 5.587 1.00 82.57 O +ATOM 86 CB PRO A 14 -1.509 9.316 5.794 1.00 82.58 C +ATOM 87 CG PRO A 14 -1.456 8.989 7.237 1.00 82.78 C +ATOM 88 CD PRO A 14 -2.821 9.302 7.776 1.00 82.85 C +HETATM 89 N HYP A 15 -2.735 7.446 3.600 1.00 84.17 N +HETATM 90 CA HYP A 15 -2.631 6.116 2.992 1.00 82.86 C +HETATM 91 C HYP A 15 -1.587 5.292 3.666 1.00 86.38 C +HETATM 92 O HYP A 15 -0.623 5.866 4.232 1.00 84.73 O +HETATM 93 CB HYP A 15 -2.268 6.504 1.556 1.00 82.48 C +HETATM 94 CG HYP A 15 -2.841 7.905 1.360 1.00 78.79 C +HETATM 95 CD HYP A 15 -2.601 8.542 2.693 1.00 82.35 C +HETATM 96 OD1 HYP A 15 -4.210 7.851 1.074 1.00 82.26 O +ATOM 97 N GLY A 16 -1.779 4.023 3.635 1.00 89.93 N +ATOM 98 CA GLY A 16 -0.781 3.132 4.160 1.00 88.75 C +ATOM 99 C GLY A 16 0.447 3.106 3.274 1.00 89.94 C +ATOM 100 O GLY A 16 0.481 3.738 2.215 1.00 89.56 O +ATOM 101 N PRO A 17 1.471 2.381 3.715 1.00 89.11 N +ATOM 102 CA PRO A 17 2.694 2.295 2.935 1.00 88.35 C +ATOM 103 C PRO A 17 2.493 1.483 1.669 1.00 89.53 C +ATOM 104 O PRO A 17 1.558 0.698 1.557 1.00 87.79 O +ATOM 105 CB PRO A 17 3.677 1.629 3.887 1.00 86.06 C +ATOM 106 CG PRO A 17 2.813 0.827 4.787 1.00 85.49 C +ATOM 107 CD PRO A 17 1.538 1.607 4.938 1.00 85.64 C +HETATM 108 N HYP A 18 3.367 1.683 0.724 1.00 83.99 N +HETATM 109 CA HYP A 18 3.370 0.883 -0.473 1.00 88.76 C +HETATM 110 C HYP A 18 3.497 -0.571 -0.170 1.00 84.97 C +HETATM 111 O HYP A 18 4.103 -0.945 0.861 1.00 87.01 O +HETATM 112 CB HYP A 18 4.578 1.419 -1.217 1.00 85.35 C +HETATM 113 CG HYP A 18 4.724 2.840 -0.743 1.00 83.75 C +HETATM 114 CD HYP A 18 4.345 2.735 0.719 1.00 86.33 C +HETATM 115 OD1 HYP A 18 3.807 3.677 -1.428 1.00 84.20 O +ATOM 116 N GLY A 19 2.916 -1.376 -0.994 1.00 87.54 N +ATOM 117 CA GLY A 19 3.054 -2.796 -0.863 1.00 86.77 C +ATOM 118 C GLY A 19 4.471 -3.225 -1.182 1.00 86.84 C +ATOM 119 O GLY A 19 5.294 -2.440 -1.635 1.00 85.70 O +ATOM 120 N PRO A 20 4.752 -4.493 -0.937 1.00 83.60 N +ATOM 121 CA PRO A 20 6.082 -5.007 -1.216 1.00 81.97 C +ATOM 122 C PRO A 20 6.353 -5.069 -2.705 1.00 82.44 C +ATOM 123 O PRO A 20 5.438 -5.083 -3.520 1.00 80.26 O +ATOM 124 CB PRO A 20 6.061 -6.397 -0.588 1.00 79.07 C +ATOM 125 CG PRO A 20 4.630 -6.780 -0.601 1.00 77.52 C +ATOM 126 CD PRO A 20 3.861 -5.505 -0.405 1.00 77.09 C +HETATM 127 N HYP A 21 7.609 -5.103 -3.034 1.00 81.96 N +HETATM 128 CA HYP A 21 8.002 -5.261 -4.417 1.00 83.69 C +HETATM 129 C HYP A 21 7.446 -6.527 -5.062 1.00 81.85 C +HETATM 130 O HYP A 21 7.280 -7.530 -4.352 1.00 87.48 O +HETATM 131 CB HYP A 21 9.517 -5.345 -4.335 1.00 82.02 C +HETATM 132 CG HYP A 21 9.868 -4.619 -3.048 1.00 79.56 C +HETATM 133 CD HYP A 21 8.744 -4.975 -2.123 1.00 84.23 C +HETATM 134 OD1 HYP A 21 9.825 -3.197 -3.246 1.00 83.42 O +ATOM 135 N GLY A 22 7.047 -6.437 -6.280 1.00 84.34 N +ATOM 136 CA GLY A 22 6.581 -7.595 -6.982 1.00 82.25 C +ATOM 137 C GLY A 22 7.723 -8.555 -7.254 1.00 82.24 C +ATOM 138 O GLY A 22 8.873 -8.289 -6.900 1.00 80.33 O +ATOM 139 N PRO A 23 7.428 -9.680 -7.895 1.00 84.80 N +ATOM 140 CA PRO A 23 8.476 -10.645 -8.197 1.00 84.75 C +ATOM 141 C PRO A 23 9.457 -10.066 -9.201 1.00 84.30 C +ATOM 142 O PRO A 23 9.133 -9.169 -9.970 1.00 80.59 O +ATOM 143 CB PRO A 23 7.712 -11.835 -8.764 1.00 80.30 C +ATOM 144 CG PRO A 23 6.455 -11.252 -9.290 1.00 77.92 C +ATOM 145 CD PRO A 23 6.124 -10.103 -8.391 1.00 78.91 C +HETATM 146 N HYP A 24 10.605 -10.576 -9.272 1.00 83.47 N +HETATM 147 CA HYP A 24 11.599 -9.998 -10.148 1.00 79.03 C +HETATM 148 C HYP A 24 11.136 -9.511 -11.463 1.00 79.35 C +HETATM 149 O HYP A 24 11.800 -9.581 -12.478 1.00 77.47 O +HETATM 150 CB HYP A 24 12.705 -11.030 -10.161 1.00 80.59 C +HETATM 151 CG HYP A 24 12.512 -11.851 -8.928 1.00 80.56 C +HETATM 152 CD HYP A 24 11.022 -11.839 -8.692 1.00 82.31 C +HETATM 153 OD1 HYP A 24 13.142 -11.223 -7.810 1.00 81.28 O +HETATM 154 OXT HYP A 24 10.023 -9.009 -11.457 1.00 78.08 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_234.txt b/protein_pdb_234.txt new file mode 100644 index 0000000000000000000000000000000000000000..d06b8eb471dcc8d99fbfaf9bec6d339f80c1bdd0 --- /dev/null +++ b/protein_pdb_234.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 5.852 -12.817 -3.125 1.00 89.44 N +ATOM 2 CA GLY A 1 4.731 -12.130 -3.665 1.00 89.91 C +ATOM 3 C GLY A 1 5.008 -10.691 -4.060 1.00 90.50 C +ATOM 4 O GLY A 1 6.064 -10.140 -3.749 1.00 88.05 O +ATOM 5 N PRO A 2 4.072 -10.099 -4.718 1.00 89.44 N +ATOM 6 CA PRO A 2 4.212 -8.732 -5.168 1.00 89.95 C +ATOM 7 C PRO A 2 4.064 -7.741 -4.025 1.00 89.83 C +ATOM 8 O PRO A 2 3.629 -8.093 -2.929 1.00 86.97 O +ATOM 9 CB PRO A 2 3.072 -8.587 -6.173 1.00 86.66 C +ATOM 10 CG PRO A 2 2.045 -9.538 -5.679 1.00 82.81 C +ATOM 11 CD PRO A 2 2.812 -10.701 -5.125 1.00 84.16 C +HETATM 12 N HYP A 3 4.429 -6.530 -4.320 1.00 89.35 N +HETATM 13 CA HYP A 3 4.286 -5.460 -3.330 1.00 88.28 C +HETATM 14 C HYP A 3 2.833 -5.261 -2.943 1.00 89.78 C +HETATM 15 O HYP A 3 1.927 -5.541 -3.762 1.00 92.81 O +HETATM 16 CB HYP A 3 4.793 -4.218 -4.135 1.00 87.33 C +HETATM 17 CG HYP A 3 5.729 -4.799 -5.169 1.00 85.40 C +HETATM 18 CD HYP A 3 5.036 -6.135 -5.548 1.00 89.73 C +HETATM 19 OD1 HYP A 3 6.948 -5.084 -4.566 1.00 87.44 O +ATOM 20 N GLY A 4 2.632 -4.886 -1.723 1.00 92.81 N +ATOM 21 CA GLY A 4 1.298 -4.637 -1.257 1.00 92.47 C +ATOM 22 C GLY A 4 0.687 -3.420 -1.928 1.00 93.30 C +ATOM 23 O GLY A 4 1.354 -2.709 -2.677 1.00 93.01 O +ATOM 24 N PRO A 5 -0.587 -3.173 -1.659 1.00 91.94 N +ATOM 25 CA PRO A 5 -1.270 -2.031 -2.246 1.00 91.59 C +ATOM 26 C PRO A 5 -0.792 -0.726 -1.638 1.00 91.70 C +ATOM 27 O PRO A 5 -0.178 -0.704 -0.576 1.00 90.18 O +ATOM 28 CB PRO A 5 -2.736 -2.293 -1.929 1.00 90.05 C +ATOM 29 CG PRO A 5 -2.683 -3.065 -0.661 1.00 88.71 C +ATOM 30 CD PRO A 5 -1.462 -3.929 -0.780 1.00 90.85 C +HETATM 31 N HYP A 6 -1.072 0.356 -2.361 1.00 90.76 N +HETATM 32 CA HYP A 6 -0.780 1.669 -1.832 1.00 91.95 C +HETATM 33 C HYP A 6 -1.449 1.913 -0.511 1.00 91.75 C +HETATM 34 O HYP A 6 -2.558 1.360 -0.262 1.00 92.35 O +HETATM 35 CB HYP A 6 -1.349 2.580 -2.937 1.00 88.19 C +HETATM 36 CG HYP A 6 -1.262 1.750 -4.197 1.00 88.61 C +HETATM 37 CD HYP A 6 -1.633 0.367 -3.695 1.00 91.02 C +HETATM 38 OD1 HYP A 6 0.062 1.746 -4.662 1.00 87.35 O +ATOM 39 N GLY A 7 -0.800 2.630 0.342 1.00 91.43 N +ATOM 40 CA GLY A 7 -1.343 2.940 1.630 1.00 90.55 C +ATOM 41 C GLY A 7 -2.582 3.808 1.515 1.00 91.24 C +ATOM 42 O GLY A 7 -2.985 4.215 0.430 1.00 90.96 O +ATOM 43 N PRO A 8 -3.198 4.089 2.655 1.00 91.80 N +ATOM 44 CA PRO A 8 -4.415 4.885 2.647 1.00 91.55 C +ATOM 45 C PRO A 8 -4.147 6.329 2.275 1.00 92.02 C +ATOM 46 O PRO A 8 -3.065 6.862 2.510 1.00 89.89 O +ATOM 47 CB PRO A 8 -4.926 4.771 4.082 1.00 88.81 C +ATOM 48 CG PRO A 8 -3.696 4.535 4.880 1.00 87.33 C +ATOM 49 CD PRO A 8 -2.802 3.714 3.996 1.00 89.28 C +HETATM 50 N HYP A 9 -5.159 6.944 1.696 1.00 90.19 N +HETATM 51 CA HYP A 9 -5.066 8.326 1.372 1.00 87.85 C +HETATM 52 C HYP A 9 -5.023 9.162 2.627 1.00 90.68 C +HETATM 53 O HYP A 9 -5.665 8.788 3.637 1.00 91.23 O +HETATM 54 CB HYP A 9 -6.429 8.604 0.657 1.00 85.43 C +HETATM 55 CG HYP A 9 -6.911 7.273 0.189 1.00 86.58 C +HETATM 56 CD HYP A 9 -6.439 6.322 1.218 1.00 90.34 C +HETATM 57 OD1 HYP A 9 -6.283 6.968 -1.038 1.00 86.36 O +ATOM 58 N GLY A 10 -4.278 10.186 2.657 1.00 89.40 N +ATOM 59 CA GLY A 10 -4.388 11.136 3.737 1.00 86.89 C +ATOM 60 C GLY A 10 -5.681 11.899 3.574 1.00 87.44 C +ATOM 61 O GLY A 10 -6.422 11.731 2.609 1.00 86.35 O +ATOM 62 N ILE A 11 -5.951 12.760 4.528 1.00 93.02 N +ATOM 63 CA ILE A 11 -7.104 13.636 4.371 1.00 93.86 C +ATOM 64 C ILE A 11 -6.682 14.702 3.370 1.00 94.01 C +ATOM 65 O ILE A 11 -6.036 15.679 3.720 1.00 91.41 O +ATOM 66 CB ILE A 11 -7.515 14.248 5.712 1.00 93.37 C +ATOM 67 CG1 ILE A 11 -7.766 13.136 6.738 1.00 90.33 C +ATOM 68 CG2 ILE A 11 -8.773 15.094 5.525 1.00 87.81 C +ATOM 69 CD1 ILE A 11 -7.882 13.658 8.147 1.00 82.90 C +ATOM 70 N GLN A 12 -6.995 14.438 2.111 1.00 91.82 N +ATOM 71 CA GLN A 12 -6.547 15.244 0.984 1.00 92.43 C +ATOM 72 C GLN A 12 -5.055 15.038 0.714 1.00 92.29 C +ATOM 73 O GLN A 12 -4.373 15.926 0.225 1.00 88.05 O +ATOM 74 CB GLN A 12 -6.853 16.726 1.204 1.00 89.90 C +ATOM 75 CG GLN A 12 -6.843 17.555 -0.073 1.00 84.40 C +ATOM 76 CD GLN A 12 -8.223 17.882 -0.581 1.00 78.27 C +ATOM 77 OE1 GLN A 12 -9.224 17.574 0.058 1.00 71.90 O +ATOM 78 NE2 GLN A 12 -8.287 18.516 -1.734 1.00 71.38 N +ATOM 79 N GLY A 13 -4.549 13.851 1.015 1.00 94.97 N +ATOM 80 CA GLY A 13 -3.165 13.507 0.740 1.00 94.28 C +ATOM 81 C GLY A 13 -3.082 12.334 -0.198 1.00 94.53 C +ATOM 82 O GLY A 13 -4.065 11.630 -0.418 1.00 94.15 O +ATOM 83 N PRO A 14 -1.914 12.106 -0.771 1.00 94.00 N +ATOM 84 CA PRO A 14 -1.743 10.982 -1.680 1.00 94.06 C +ATOM 85 C PRO A 14 -1.756 9.659 -0.937 1.00 94.31 C +ATOM 86 O PRO A 14 -1.557 9.601 0.269 1.00 92.82 O +ATOM 87 CB PRO A 14 -0.383 11.236 -2.325 1.00 92.32 C +ATOM 88 CG PRO A 14 0.365 11.987 -1.291 1.00 91.21 C +ATOM 89 CD PRO A 14 -0.665 12.846 -0.599 1.00 92.59 C +HETATM 90 N HYP A 15 -1.988 8.643 -1.701 1.00 93.17 N +HETATM 91 CA HYP A 15 -1.882 7.287 -1.159 1.00 93.57 C +HETATM 92 C HYP A 15 -0.491 7.026 -0.664 1.00 94.58 C +HETATM 93 O HYP A 15 0.492 7.623 -1.174 1.00 94.03 O +HETATM 94 CB HYP A 15 -2.246 6.436 -2.395 1.00 91.43 C +HETATM 95 CG HYP A 15 -3.099 7.343 -3.254 1.00 90.60 C +HETATM 96 CD HYP A 15 -2.452 8.678 -3.076 1.00 92.49 C +HETATM 97 OD1 HYP A 15 -4.420 7.373 -2.800 1.00 90.48 O +ATOM 98 N GLY A 16 -0.396 6.197 0.319 1.00 94.14 N +ATOM 99 CA GLY A 16 0.896 5.802 0.803 1.00 93.67 C +ATOM 100 C GLY A 16 1.614 4.928 -0.208 1.00 94.21 C +ATOM 101 O GLY A 16 1.062 4.571 -1.244 1.00 93.83 O +ATOM 102 N PRO A 17 2.864 4.590 0.089 1.00 93.73 N +ATOM 103 CA PRO A 17 3.629 3.747 -0.812 1.00 93.65 C +ATOM 104 C PRO A 17 3.119 2.318 -0.803 1.00 94.12 C +ATOM 105 O PRO A 17 2.414 1.899 0.111 1.00 92.32 O +ATOM 106 CB PRO A 17 5.046 3.837 -0.264 1.00 91.86 C +ATOM 107 CG PRO A 17 4.844 4.090 1.188 1.00 90.34 C +ATOM 108 CD PRO A 17 3.623 4.948 1.277 1.00 92.26 C +HETATM 109 N HYP A 18 3.474 1.599 -1.847 1.00 88.97 N +HETATM 110 CA HYP A 18 3.168 0.181 -1.888 1.00 90.25 C +HETATM 111 C HYP A 18 3.728 -0.530 -0.698 1.00 91.36 C +HETATM 112 O HYP A 18 4.788 -0.137 -0.154 1.00 91.95 O +HETATM 113 CB HYP A 18 3.841 -0.267 -3.193 1.00 87.87 C +HETATM 114 CG HYP A 18 3.856 0.963 -4.072 1.00 86.59 C +HETATM 115 CD HYP A 18 4.125 2.065 -3.064 1.00 90.57 C +HETATM 116 OD1 HYP A 18 2.589 1.148 -4.670 1.00 88.86 O +ATOM 117 N GLY A 19 3.036 -1.535 -0.255 1.00 89.73 N +ATOM 118 CA GLY A 19 3.510 -2.336 0.833 1.00 89.38 C +ATOM 119 C GLY A 19 4.746 -3.118 0.446 1.00 89.40 C +ATOM 120 O GLY A 19 5.161 -3.125 -0.715 1.00 89.36 O +ATOM 121 N PRO A 20 5.355 -3.774 1.410 1.00 85.33 N +ATOM 122 CA PRO A 20 6.542 -4.567 1.127 1.00 85.46 C +ATOM 123 C PRO A 20 6.200 -5.789 0.290 1.00 84.91 C +ATOM 124 O PRO A 20 5.053 -6.227 0.246 1.00 84.85 O +ATOM 125 CB PRO A 20 7.041 -4.964 2.511 1.00 83.30 C +ATOM 126 CG PRO A 20 5.814 -4.961 3.346 1.00 80.64 C +ATOM 127 CD PRO A 20 4.966 -3.845 2.803 1.00 82.44 C +HETATM 128 N HYP A 21 7.219 -6.306 -0.353 1.00 89.55 N +HETATM 129 CA HYP A 21 7.033 -7.526 -1.110 1.00 88.96 C +HETATM 130 C HYP A 21 6.527 -8.666 -0.243 1.00 88.77 C +HETATM 131 O HYP A 21 6.896 -8.757 0.934 1.00 91.95 O +HETATM 132 CB HYP A 21 8.422 -7.855 -1.634 1.00 86.95 C +HETATM 133 CG HYP A 21 9.138 -6.533 -1.664 1.00 83.46 C +HETATM 134 CD HYP A 21 8.595 -5.805 -0.450 1.00 89.47 C +HETATM 135 OD1 HYP A 21 8.746 -5.792 -2.836 1.00 85.13 O +ATOM 136 N GLY A 22 5.642 -9.422 -0.776 1.00 88.30 N +ATOM 137 CA GLY A 22 5.166 -10.576 -0.070 1.00 85.89 C +ATOM 138 C GLY A 22 6.252 -11.635 0.001 1.00 85.22 C +ATOM 139 O GLY A 22 7.333 -11.471 -0.554 1.00 84.54 O +ATOM 140 N PRO A 23 5.980 -12.744 0.680 1.00 90.11 N +ATOM 141 CA PRO A 23 6.948 -13.829 0.746 1.00 90.09 C +ATOM 142 C PRO A 23 7.042 -14.517 -0.605 1.00 88.72 C +ATOM 143 O PRO A 23 6.114 -15.188 -1.033 1.00 85.50 O +ATOM 144 CB PRO A 23 6.377 -14.745 1.820 1.00 86.88 C +ATOM 145 CG PRO A 23 4.920 -14.485 1.789 1.00 83.40 C +ATOM 146 CD PRO A 23 4.756 -13.038 1.389 1.00 86.31 C +HETATM 147 N HYP A 24 7.966 -14.302 -1.353 1.00 92.66 N +HETATM 148 CA HYP A 24 8.022 -14.378 -2.860 1.00 87.83 C +HETATM 149 C HYP A 24 7.170 -13.736 -3.671 1.00 91.29 C +HETATM 150 O HYP A 24 7.561 -12.842 -4.527 1.00 90.52 O +HETATM 151 CB HYP A 24 9.280 -15.055 -3.244 1.00 86.39 C +HETATM 152 CG HYP A 24 9.888 -15.571 -1.922 1.00 86.42 C +HETATM 153 CD HYP A 24 8.974 -15.078 -0.772 1.00 90.35 C +HETATM 154 OD1 HYP A 24 11.182 -15.017 -1.707 1.00 87.24 O +HETATM 155 OXT HYP A 24 6.268 -14.470 -4.373 1.00 86.69 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_235.txt b/protein_pdb_235.txt new file mode 100644 index 0000000000000000000000000000000000000000..0978fc8cfd27d50077b26fd42c5e28a1a191af0e --- /dev/null +++ b/protein_pdb_235.txt @@ -0,0 +1,170 @@ +ATOM 1 N GLY A 1 -22.118 -19.195 25.410 1.00 92.21 N +ATOM 2 CA GLY A 1 -21.814 -19.724 24.078 1.00 93.84 C +ATOM 3 C GLY A 1 -20.403 -19.353 23.671 1.00 94.22 C +ATOM 4 O GLY A 1 -19.775 -18.511 24.313 1.00 93.00 O +ATOM 5 N PRO A 2 -19.877 -19.953 22.603 1.00 96.54 N +ATOM 6 CA PRO A 2 -18.518 -19.643 22.151 1.00 96.69 C +ATOM 7 C PRO A 2 -18.444 -18.230 21.597 1.00 96.81 C +ATOM 8 O PRO A 2 -19.436 -17.667 21.151 1.00 96.04 O +ATOM 9 CB PRO A 2 -18.248 -20.690 21.067 1.00 95.15 C +ATOM 10 CG PRO A 2 -19.607 -20.999 20.540 1.00 92.39 C +ATOM 11 CD PRO A 2 -20.501 -20.963 21.755 1.00 94.78 C +HETATM 12 N HYP A 3 -17.324 -17.666 21.658 1.00 94.17 N +HETATM 13 CA HYP A 3 -17.044 -16.330 21.063 1.00 94.19 C +HETATM 14 C HYP A 3 -17.384 -16.295 19.576 1.00 92.15 C +HETATM 15 O HYP A 3 -17.195 -17.288 18.874 1.00 95.00 O +HETATM 16 CB HYP A 3 -15.578 -16.095 21.334 1.00 92.31 C +HETATM 17 CG HYP A 3 -15.220 -17.038 22.465 1.00 92.90 C +HETATM 18 CD HYP A 3 -16.115 -18.243 22.231 1.00 94.45 C +HETATM 19 OD1 HYP A 3 -15.503 -16.490 23.718 1.00 93.61 O +ATOM 20 N GLY A 4 -17.860 -15.135 19.122 1.00 95.72 N +ATOM 21 CA GLY A 4 -18.158 -14.980 17.720 1.00 95.05 C +ATOM 22 C GLY A 4 -16.873 -14.915 16.902 1.00 95.14 C +ATOM 23 O GLY A 4 -15.779 -14.782 17.462 1.00 95.72 O +ATOM 24 N PRO A 5 -16.990 -14.992 15.569 1.00 96.51 N +ATOM 25 CA PRO A 5 -15.809 -14.950 14.710 1.00 96.29 C +ATOM 26 C PRO A 5 -15.175 -13.568 14.690 1.00 96.44 C +ATOM 27 O PRO A 5 -15.828 -12.569 14.987 1.00 96.02 O +ATOM 28 CB PRO A 5 -16.356 -15.343 13.337 1.00 95.18 C +ATOM 29 CG PRO A 5 -17.765 -14.862 13.386 1.00 93.49 C +ATOM 30 CD PRO A 5 -18.213 -15.148 14.803 1.00 95.49 C +HETATM 31 N HYP A 6 -13.939 -13.508 14.361 1.00 94.36 N +HETATM 32 CA HYP A 6 -13.229 -12.211 14.194 1.00 95.65 C +HETATM 33 C HYP A 6 -13.857 -11.357 13.118 1.00 90.47 C +HETATM 34 O HYP A 6 -14.404 -11.892 12.145 1.00 94.05 O +HETATM 35 CB HYP A 6 -11.789 -12.650 13.794 1.00 92.02 C +HETATM 36 CG HYP A 6 -11.642 -14.059 14.349 1.00 92.72 C +HETATM 37 CD HYP A 6 -13.049 -14.643 14.190 1.00 93.85 C +HETATM 38 OD1 HYP A 6 -11.287 -14.025 15.709 1.00 92.51 O +ATOM 39 N GLY A 7 -13.797 -10.028 13.299 1.00 95.01 N +ATOM 40 CA GLY A 7 -14.334 -9.126 12.309 1.00 94.19 C +ATOM 41 C GLY A 7 -13.488 -9.154 11.040 1.00 94.14 C +ATOM 42 O GLY A 7 -12.403 -9.747 11.011 1.00 94.92 O +ATOM 43 N PRO A 8 -13.985 -8.505 9.979 1.00 93.90 N +ATOM 44 CA PRO A 8 -13.251 -8.490 8.721 1.00 94.19 C +ATOM 45 C PRO A 8 -11.986 -7.648 8.815 1.00 93.64 C +ATOM 46 O PRO A 8 -11.877 -6.756 9.654 1.00 93.55 O +ATOM 47 CB PRO A 8 -14.251 -7.892 7.731 1.00 93.15 C +ATOM 48 CG PRO A 8 -15.090 -7.010 8.598 1.00 92.26 C +ATOM 49 CD PRO A 8 -15.233 -7.777 9.892 1.00 93.95 C +HETATM 50 N HYP A 9 -11.048 -7.885 7.961 1.00 91.46 N +HETATM 51 CA HYP A 9 -9.789 -7.135 7.894 1.00 89.86 C +HETATM 52 C HYP A 9 -10.040 -5.672 7.549 1.00 85.59 C +HETATM 53 O HYP A 9 -10.968 -5.369 6.765 1.00 88.60 O +HETATM 54 CB HYP A 9 -9.012 -7.841 6.711 1.00 86.73 C +HETATM 55 CG HYP A 9 -9.572 -9.235 6.689 1.00 88.40 C +HETATM 56 CD HYP A 9 -11.032 -9.036 7.051 1.00 90.14 C +HETATM 57 OD1 HYP A 9 -8.953 -10.032 7.660 1.00 87.11 O +ATOM 58 N GLY A 10 -9.220 -4.796 8.110 1.00 93.83 N +ATOM 59 CA GLY A 10 -9.339 -3.394 7.803 1.00 92.46 C +ATOM 60 C GLY A 10 -8.984 -3.129 6.344 1.00 92.00 C +ATOM 61 O GLY A 10 -8.333 -3.949 5.686 1.00 91.86 O +ATOM 62 N LYS A 11 -9.415 -1.960 5.842 1.00 94.17 N +ATOM 63 CA LYS A 11 -9.130 -1.589 4.458 1.00 93.84 C +ATOM 64 C LYS A 11 -7.663 -1.170 4.307 1.00 92.54 C +ATOM 65 O LYS A 11 -7.075 -0.594 5.213 1.00 91.30 O +ATOM 66 CB LYS A 11 -10.043 -0.449 4.009 1.00 91.78 C +ATOM 67 CG LYS A 11 -11.526 -0.810 4.041 1.00 87.38 C +ATOM 68 CD LYS A 11 -12.413 0.321 3.557 1.00 83.77 C +ATOM 69 CE LYS A 11 -12.332 0.520 2.060 1.00 79.08 C +ATOM 70 NZ LYS A 11 -13.318 1.523 1.584 1.00 73.60 N +ATOM 71 N ARG A 12 -7.099 -1.460 3.141 1.00 93.32 N +ATOM 72 CA ARG A 12 -5.724 -1.061 2.857 1.00 93.86 C +ATOM 73 C ARG A 12 -5.672 0.460 2.726 1.00 94.74 C +ATOM 74 O ARG A 12 -6.588 1.074 2.181 1.00 92.42 O +ATOM 75 CB ARG A 12 -5.238 -1.736 1.568 1.00 90.45 C +ATOM 76 CG ARG A 12 -3.779 -1.452 1.243 1.00 83.19 C +ATOM 77 CD ARG A 12 -3.317 -2.233 0.022 1.00 80.19 C +ATOM 78 NE ARG A 12 -3.310 -3.669 0.264 1.00 73.62 N +ATOM 79 CZ ARG A 12 -3.054 -4.595 -0.649 1.00 70.89 C +ATOM 80 NH1 ARG A 12 -2.773 -4.251 -1.895 1.00 67.64 N +ATOM 81 NH2 ARG A 12 -3.075 -5.873 -0.325 1.00 63.92 N +ATOM 82 N GLY A 13 -4.601 1.041 3.249 1.00 91.47 N +ATOM 83 CA GLY A 13 -4.437 2.483 3.175 1.00 89.66 C +ATOM 84 C GLY A 13 -4.282 2.980 1.751 1.00 90.24 C +ATOM 85 O GLY A 13 -3.953 2.217 0.841 1.00 90.05 O +ATOM 86 N LYS A 14 -4.520 4.276 1.555 1.00 94.05 N +ATOM 87 CA LYS A 14 -4.384 4.898 0.242 1.00 94.95 C +ATOM 88 C LYS A 14 -2.923 4.937 -0.188 1.00 95.07 C +ATOM 89 O LYS A 14 -2.026 4.953 0.649 1.00 95.41 O +ATOM 90 CB LYS A 14 -4.914 6.323 0.281 1.00 93.19 C +ATOM 91 CG LYS A 14 -6.408 6.429 0.546 1.00 86.43 C +ATOM 92 CD LYS A 14 -6.831 7.876 0.557 1.00 83.12 C +ATOM 93 CE LYS A 14 -8.323 8.030 0.758 1.00 78.29 C +ATOM 94 NZ LYS A 14 -8.724 9.452 0.731 1.00 74.39 N +HETATM 95 N HYP A 15 -2.670 4.999 -1.528 1.00 88.08 N +HETATM 96 CA HYP A 15 -1.312 5.139 -2.020 1.00 88.20 C +HETATM 97 C HYP A 15 -0.700 6.480 -1.572 1.00 89.73 C +HETATM 98 O HYP A 15 -1.447 7.474 -1.443 1.00 87.60 O +HETATM 99 CB HYP A 15 -1.478 5.111 -3.548 1.00 86.81 C +HETATM 100 CG HYP A 15 -2.767 4.345 -3.756 1.00 80.54 C +HETATM 101 CD HYP A 15 -3.631 4.746 -2.614 1.00 86.76 C +HETATM 102 OD1 HYP A 15 -2.554 2.969 -3.717 1.00 86.59 O +ATOM 103 N GLY A 16 0.568 6.494 -1.336 1.00 94.32 N +ATOM 104 CA GLY A 16 1.221 7.719 -0.967 1.00 92.36 C +ATOM 105 C GLY A 16 1.288 8.681 -2.149 1.00 92.92 C +ATOM 106 O GLY A 16 0.966 8.302 -3.278 1.00 94.60 O +ATOM 107 N PRO A 17 1.702 9.940 -1.903 1.00 95.62 N +ATOM 108 CA PRO A 17 1.793 10.921 -2.983 1.00 95.85 C +ATOM 109 C PRO A 17 2.921 10.573 -3.948 1.00 95.84 C +ATOM 110 O PRO A 17 3.862 9.875 -3.586 1.00 95.48 O +ATOM 111 CB PRO A 17 2.052 12.232 -2.258 1.00 94.55 C +ATOM 112 CG PRO A 17 2.769 11.805 -1.017 1.00 92.86 C +ATOM 113 CD PRO A 17 2.101 10.508 -0.622 1.00 94.31 C +HETATM 114 N HYP A 18 2.843 11.079 -5.191 1.00 94.38 N +HETATM 115 CA HYP A 18 3.905 10.909 -6.148 1.00 94.67 C +HETATM 116 C HYP A 18 5.233 11.481 -5.676 1.00 93.06 C +HETATM 117 O HYP A 18 5.242 12.513 -4.977 1.00 93.46 O +HETATM 118 CB HYP A 18 3.379 11.631 -7.398 1.00 93.69 C +HETATM 119 CG HYP A 18 1.884 11.559 -7.267 1.00 90.51 C +HETATM 120 CD HYP A 18 1.668 11.698 -5.785 1.00 93.28 C +HETATM 121 OD1 HYP A 18 1.368 10.347 -7.716 1.00 92.30 O +ATOM 122 N GLY A 19 6.305 10.822 -5.996 1.00 95.53 N +ATOM 123 CA GLY A 19 7.612 11.295 -5.606 1.00 94.19 C +ATOM 124 C GLY A 19 7.981 12.552 -6.371 1.00 94.11 C +ATOM 125 O GLY A 19 7.294 12.944 -7.314 1.00 94.58 O +ATOM 126 N PRO A 20 9.087 13.209 -5.977 1.00 96.64 N +ATOM 127 CA PRO A 20 9.526 14.421 -6.650 1.00 96.06 C +ATOM 128 C PRO A 20 10.078 14.111 -8.037 1.00 96.23 C +ATOM 129 O PRO A 20 10.455 12.980 -8.320 1.00 95.31 O +ATOM 130 CB PRO A 20 10.606 14.971 -5.714 1.00 94.37 C +ATOM 131 CG PRO A 20 11.172 13.737 -5.097 1.00 92.10 C +ATOM 132 CD PRO A 20 9.973 12.841 -4.874 1.00 94.88 C +HETATM 133 N HYP A 21 10.143 15.131 -8.905 1.00 94.65 N +HETATM 134 CA HYP A 21 10.740 14.977 -10.217 1.00 94.36 C +HETATM 135 C HYP A 21 12.187 14.532 -10.158 1.00 95.37 C +HETATM 136 O HYP A 21 12.922 14.929 -9.239 1.00 94.94 O +HETATM 137 CB HYP A 21 10.652 16.400 -10.806 1.00 92.95 C +HETATM 138 CG HYP A 21 9.507 17.066 -10.101 1.00 91.50 C +HETATM 139 CD HYP A 21 9.603 16.475 -8.713 1.00 92.65 C +HETATM 140 OD1 HYP A 21 8.271 16.715 -10.681 1.00 92.72 O +ATOM 141 N GLY A 22 12.620 13.712 -11.077 1.00 95.64 N +ATOM 142 CA GLY A 22 13.987 13.278 -11.117 1.00 94.87 C +ATOM 143 C GLY A 22 14.892 14.438 -11.507 1.00 95.34 C +ATOM 144 O GLY A 22 14.415 15.519 -11.842 1.00 95.66 O +ATOM 145 N PRO A 23 16.199 14.237 -11.490 1.00 96.50 N +ATOM 146 CA PRO A 23 17.137 15.294 -11.858 1.00 96.16 C +ATOM 147 C PRO A 23 17.021 15.620 -13.341 1.00 96.22 C +ATOM 148 O PRO A 23 16.498 14.826 -14.118 1.00 95.38 O +ATOM 149 CB PRO A 23 18.495 14.707 -11.494 1.00 94.23 C +ATOM 150 CG PRO A 23 18.286 13.232 -11.609 1.00 91.82 C +ATOM 151 CD PRO A 23 16.888 13.008 -11.102 1.00 94.44 C +HETATM 152 N HYP A 24 17.512 16.818 -13.759 1.00 93.38 N +HETATM 153 CA HYP A 24 17.518 17.196 -15.159 1.00 94.07 C +HETATM 154 C HYP A 24 18.158 16.202 -16.016 1.00 92.38 C +HETATM 155 O HYP A 24 19.126 15.562 -15.596 1.00 93.66 O +HETATM 156 CB HYP A 24 18.175 18.616 -15.110 1.00 92.06 C +HETATM 157 CG HYP A 24 17.859 19.147 -13.743 1.00 89.86 C +HETATM 158 CD HYP A 24 17.933 17.917 -12.880 1.00 90.68 C +HETATM 159 OD1 HYP A 24 16.569 19.719 -13.665 1.00 89.67 O +ATOM 160 N GLY A 25 17.616 15.999 -17.288 1.00 93.37 N +ATOM 161 CA GLY A 25 18.010 14.958 -18.208 1.00 91.69 C +ATOM 162 C GLY A 25 19.517 14.813 -18.344 1.00 90.27 C +ATOM 163 O GLY A 25 20.263 15.781 -18.190 1.00 87.41 O +ATOM 164 N GLY A 26 19.934 13.571 -18.638 1.00 86.33 N +ATOM 165 CA GLY A 26 21.357 13.260 -18.784 1.00 80.64 C +ATOM 166 C GLY A 26 21.855 13.461 -20.204 1.00 76.00 C +ATOM 167 O GLY A 26 22.889 12.859 -20.553 1.00 72.40 O +ATOM 168 OXT GLY A 26 21.242 14.202 -21.014 1.00 72.47 O +TER 169 GLY A 26 +END diff --git a/protein_pdb_236.txt b/protein_pdb_236.txt new file mode 100644 index 0000000000000000000000000000000000000000..3639c2118ed0bc142b7f5b8ed8dae0b7848efe90 --- /dev/null +++ b/protein_pdb_236.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 12.770 -0.572 -8.607 1.00 84.24 N +ATOM 2 CA GLY A 1 11.891 0.553 -8.880 1.00 85.61 C +ATOM 3 C GLY A 1 11.335 1.132 -7.607 1.00 86.40 C +ATOM 4 O GLY A 1 11.632 0.647 -6.514 1.00 84.72 O +ATOM 5 N PRO A 2 10.514 2.153 -7.725 1.00 87.54 N +ATOM 6 CA PRO A 2 9.952 2.796 -6.548 1.00 88.75 C +ATOM 7 C PRO A 2 8.952 1.900 -5.841 1.00 88.73 C +ATOM 8 O PRO A 2 8.423 0.959 -6.410 1.00 88.03 O +ATOM 9 CB PRO A 2 9.271 4.040 -7.114 1.00 86.36 C +ATOM 10 CG PRO A 2 8.940 3.669 -8.511 1.00 82.41 C +ATOM 11 CD PRO A 2 10.042 2.768 -8.970 1.00 83.27 C +HETATM 12 N HYP A 3 8.741 2.209 -4.615 1.00 83.95 N +HETATM 13 CA HYP A 3 7.692 1.520 -3.843 1.00 84.58 C +HETATM 14 C HYP A 3 6.362 1.631 -4.493 1.00 85.28 C +HETATM 15 O HYP A 3 6.073 2.632 -5.182 1.00 89.57 O +HETATM 16 CB HYP A 3 7.732 2.264 -2.493 1.00 83.07 C +HETATM 17 CG HYP A 3 9.138 2.767 -2.397 1.00 78.11 C +HETATM 18 CD HYP A 3 9.437 3.198 -3.840 1.00 83.94 C +HETATM 19 OD1 HYP A 3 9.972 1.698 -2.036 1.00 84.48 O +ATOM 20 N GLY A 4 5.588 0.598 -4.343 1.00 91.21 N +ATOM 21 CA GLY A 4 4.250 0.613 -4.858 1.00 90.47 C +ATOM 22 C GLY A 4 3.379 1.616 -4.126 1.00 91.20 C +ATOM 23 O GLY A 4 3.775 2.197 -3.115 1.00 91.90 O +ATOM 24 N PRO A 5 2.177 1.830 -4.643 1.00 90.54 N +ATOM 25 CA PRO A 5 1.273 2.787 -4.025 1.00 90.59 C +ATOM 26 C PRO A 5 0.725 2.270 -2.704 1.00 90.30 C +ATOM 27 O PRO A 5 0.769 1.078 -2.419 1.00 90.00 O +ATOM 28 CB PRO A 5 0.165 2.931 -5.061 1.00 89.07 C +ATOM 29 CG PRO A 5 0.165 1.628 -5.772 1.00 87.17 C +ATOM 30 CD PRO A 5 1.593 1.184 -5.809 1.00 89.00 C +HETATM 31 N HYP A 6 0.209 3.206 -1.922 1.00 91.06 N +HETATM 32 CA HYP A 6 -0.445 2.835 -0.690 1.00 95.35 C +HETATM 33 C HYP A 6 -1.626 1.928 -0.940 1.00 91.05 C +HETATM 34 O HYP A 6 -2.295 2.041 -1.996 1.00 92.45 O +HETATM 35 CB HYP A 6 -0.925 4.217 -0.172 1.00 88.77 C +HETATM 36 CG HYP A 6 0.062 5.181 -0.754 1.00 86.12 C +HETATM 37 CD HYP A 6 0.280 4.627 -2.146 1.00 88.90 C +HETATM 38 OD1 HYP A 6 1.267 5.114 -0.028 1.00 87.30 O +ATOM 39 N GLY A 7 -1.836 1.024 -0.041 1.00 93.43 N +ATOM 40 CA GLY A 7 -2.973 0.160 -0.130 1.00 92.25 C +ATOM 41 C GLY A 7 -4.273 0.921 0.022 1.00 92.84 C +ATOM 42 O GLY A 7 -4.294 2.112 0.326 1.00 92.64 O +ATOM 43 N PRO A 8 -5.372 0.223 -0.195 1.00 92.00 N +ATOM 44 CA PRO A 8 -6.669 0.871 -0.105 1.00 91.35 C +ATOM 45 C PRO A 8 -7.048 1.179 1.330 1.00 91.42 C +ATOM 46 O PRO A 8 -6.561 0.560 2.266 1.00 90.25 O +ATOM 47 CB PRO A 8 -7.618 -0.158 -0.710 1.00 89.24 C +ATOM 48 CG PRO A 8 -6.953 -1.459 -0.438 1.00 88.38 C +ATOM 49 CD PRO A 8 -5.476 -1.196 -0.537 1.00 89.85 C +HETATM 50 N HYP A 9 -7.961 2.142 1.492 1.00 90.19 N +HETATM 51 CA HYP A 9 -8.464 2.486 2.763 1.00 91.95 C +HETATM 52 C HYP A 9 -9.287 1.362 3.340 1.00 90.08 C +HETATM 53 O HYP A 9 -9.995 0.663 2.602 1.00 89.43 O +HETATM 54 CB HYP A 9 -9.419 3.676 2.495 1.00 85.34 C +HETATM 55 CG HYP A 9 -8.918 4.251 1.221 1.00 84.28 C +HETATM 56 CD HYP A 9 -8.453 3.085 0.449 1.00 88.69 C +HETATM 57 OD1 HYP A 9 -7.816 5.092 1.491 1.00 85.53 O +ATOM 58 N GLY A 10 -9.203 1.109 4.586 1.00 90.80 N +ATOM 59 CA GLY A 10 -10.116 0.219 5.259 1.00 87.59 C +ATOM 60 C GLY A 10 -11.426 0.922 5.567 1.00 87.54 C +ATOM 61 O GLY A 10 -11.581 2.121 5.340 1.00 86.48 O +ATOM 62 N ASN A 11 -12.345 0.160 6.117 1.00 93.37 N +ATOM 63 CA ASN A 11 -13.617 0.759 6.510 1.00 94.36 C +ATOM 64 C ASN A 11 -13.444 1.870 7.523 1.00 94.58 C +ATOM 65 O ASN A 11 -14.267 2.782 7.581 1.00 92.63 O +ATOM 66 CB ASN A 11 -14.533 -0.312 7.101 1.00 92.41 C +ATOM 67 CG ASN A 11 -15.081 -1.243 6.051 1.00 86.89 C +ATOM 68 OD1 ASN A 11 -15.348 -0.835 4.925 1.00 83.37 O +ATOM 69 ND2 ASN A 11 -15.265 -2.496 6.419 1.00 80.47 N +ATOM 70 N GLN A 12 -12.406 1.757 8.326 1.00 91.88 N +ATOM 71 CA GLN A 12 -12.163 2.701 9.402 1.00 93.28 C +ATOM 72 C GLN A 12 -10.955 3.592 9.172 1.00 93.69 C +ATOM 73 O GLN A 12 -10.523 4.270 10.103 1.00 89.10 O +ATOM 74 CB GLN A 12 -12.014 1.958 10.729 1.00 91.11 C +ATOM 75 CG GLN A 12 -13.292 1.293 11.203 1.00 86.13 C +ATOM 76 CD GLN A 12 -14.282 2.280 11.790 1.00 79.80 C +ATOM 77 OE1 GLN A 12 -14.656 3.254 11.147 1.00 73.00 O +ATOM 78 NE2 GLN A 12 -14.690 2.040 13.009 1.00 71.56 N +ATOM 79 N GLY A 13 -10.398 3.575 7.971 1.00 95.07 N +ATOM 80 CA GLY A 13 -9.457 4.640 7.731 1.00 94.18 C +ATOM 81 C GLY A 13 -8.242 4.375 6.877 1.00 94.53 C +ATOM 82 O GLY A 13 -8.360 4.352 5.666 1.00 94.50 O +ATOM 83 N PRO A 14 -7.091 4.290 7.485 1.00 93.90 N +ATOM 84 CA PRO A 14 -5.893 4.633 6.746 1.00 93.16 C +ATOM 85 C PRO A 14 -5.597 3.685 5.604 1.00 93.11 C +ATOM 86 O PRO A 14 -5.947 2.511 5.637 1.00 91.98 O +ATOM 87 CB PRO A 14 -4.786 4.576 7.795 1.00 91.68 C +ATOM 88 CG PRO A 14 -5.294 3.639 8.810 1.00 90.99 C +ATOM 89 CD PRO A 14 -6.769 3.881 8.862 1.00 92.07 C +HETATM 90 N HYP A 15 -4.984 4.246 4.656 1.00 93.17 N +HETATM 91 CA HYP A 15 -4.450 3.441 3.558 1.00 92.67 C +HETATM 92 C HYP A 15 -3.455 2.449 4.050 1.00 93.48 C +HETATM 93 O HYP A 15 -2.814 2.684 5.100 1.00 93.84 O +HETATM 94 CB HYP A 15 -3.773 4.535 2.718 1.00 88.69 C +HETATM 95 CG HYP A 15 -4.535 5.814 3.045 1.00 87.42 C +HETATM 96 CD HYP A 15 -4.817 5.683 4.508 1.00 90.79 C +HETATM 97 OD1 HYP A 15 -5.742 5.836 2.333 1.00 90.73 O +ATOM 98 N GLY A 16 -3.361 1.358 3.369 1.00 95.34 N +ATOM 99 CA GLY A 16 -2.344 0.397 3.692 1.00 94.77 C +ATOM 100 C GLY A 16 -0.963 0.930 3.398 1.00 95.21 C +ATOM 101 O GLY A 16 -0.793 2.013 2.839 1.00 95.08 O +ATOM 102 N PRO A 17 0.036 0.162 3.785 1.00 94.43 N +ATOM 103 CA PRO A 17 1.410 0.589 3.553 1.00 93.85 C +ATOM 104 C PRO A 17 1.758 0.540 2.077 1.00 94.42 C +ATOM 105 O PRO A 17 1.105 -0.127 1.289 1.00 93.52 O +ATOM 106 CB PRO A 17 2.230 -0.418 4.355 1.00 92.50 C +ATOM 107 CG PRO A 17 1.377 -1.624 4.405 1.00 91.58 C +ATOM 108 CD PRO A 17 -0.037 -1.141 4.434 1.00 93.17 C +HETATM 109 N HYP A 18 2.797 1.272 1.727 1.00 88.87 N +HETATM 110 CA HYP A 18 3.302 1.215 0.398 1.00 91.85 C +HETATM 111 C HYP A 18 3.709 -0.161 -0.001 1.00 90.46 C +HETATM 112 O HYP A 18 4.139 -0.963 0.863 1.00 91.53 O +HETATM 113 CB HYP A 18 4.520 2.144 0.468 1.00 87.74 C +HETATM 114 CG HYP A 18 4.178 3.106 1.565 1.00 87.90 C +HETATM 115 CD HYP A 18 3.477 2.225 2.567 1.00 91.17 C +HETATM 116 OD1 HYP A 18 3.278 4.086 1.080 1.00 89.30 O +ATOM 117 N GLY A 19 3.539 -0.485 -1.230 1.00 92.03 N +ATOM 118 CA GLY A 19 3.975 -1.748 -1.745 1.00 91.38 C +ATOM 119 C GLY A 19 5.488 -1.851 -1.759 1.00 91.70 C +ATOM 120 O GLY A 19 6.202 -0.886 -1.506 1.00 91.99 O +ATOM 121 N PRO A 20 5.968 -3.043 -2.053 1.00 87.13 N +ATOM 122 CA PRO A 20 7.405 -3.255 -2.094 1.00 86.56 C +ATOM 123 C PRO A 20 8.031 -2.575 -3.298 1.00 86.31 C +ATOM 124 O PRO A 20 7.354 -2.214 -4.252 1.00 88.08 O +ATOM 125 CB PRO A 20 7.525 -4.776 -2.189 1.00 84.60 C +ATOM 126 CG PRO A 20 6.271 -5.187 -2.865 1.00 80.96 C +ATOM 127 CD PRO A 20 5.213 -4.238 -2.386 1.00 80.85 C +HETATM 128 N HYP A 21 9.331 -2.397 -3.210 1.00 84.05 N +HETATM 129 CA HYP A 21 10.054 -1.865 -4.330 1.00 85.76 C +HETATM 130 C HYP A 21 9.854 -2.637 -5.609 1.00 85.57 C +HETATM 131 O HYP A 21 9.712 -3.866 -5.547 1.00 91.19 O +HETATM 132 CB HYP A 21 11.513 -1.927 -3.901 1.00 85.75 C +HETATM 133 CG HYP A 21 11.453 -1.879 -2.402 1.00 81.58 C +HETATM 134 CD HYP A 21 10.214 -2.673 -2.080 1.00 86.37 C +HETATM 135 OD1 HYP A 21 11.224 -0.533 -1.974 1.00 85.92 O +ATOM 136 N GLY A 22 9.711 -1.967 -6.704 1.00 87.60 N +ATOM 137 CA GLY A 22 9.590 -2.608 -7.976 1.00 83.89 C +ATOM 138 C GLY A 22 10.883 -3.291 -8.390 1.00 83.42 C +ATOM 139 O GLY A 22 11.893 -3.228 -7.685 1.00 84.51 O +ATOM 140 N PRO A 23 10.861 -3.939 -9.539 1.00 90.81 N +ATOM 141 CA PRO A 23 12.052 -4.636 -10.009 1.00 90.39 C +ATOM 142 C PRO A 23 13.165 -3.659 -10.324 1.00 89.52 C +ATOM 143 O PRO A 23 12.932 -2.489 -10.603 1.00 86.75 O +ATOM 144 CB PRO A 23 11.570 -5.368 -11.249 1.00 87.28 C +ATOM 145 CG PRO A 23 10.405 -4.580 -11.716 1.00 84.43 C +ATOM 146 CD PRO A 23 9.760 -4.023 -10.480 1.00 87.07 C +HETATM 147 N HYP A 24 14.340 -4.080 -10.307 1.00 91.86 N +HETATM 148 CA HYP A 24 15.454 -3.184 -10.551 1.00 86.93 C +HETATM 149 C HYP A 24 15.195 -2.089 -11.489 1.00 88.59 C +HETATM 150 O HYP A 24 15.961 -1.791 -12.398 1.00 84.49 O +HETATM 151 CB HYP A 24 16.553 -4.142 -10.978 1.00 86.35 C +HETATM 152 CG HYP A 24 16.189 -5.490 -10.462 1.00 85.50 C +HETATM 153 CD HYP A 24 14.687 -5.475 -10.370 1.00 89.43 C +HETATM 154 OD1 HYP A 24 16.687 -5.656 -9.134 1.00 85.27 O +HETATM 155 OXT HYP A 24 14.176 -1.434 -11.283 1.00 81.57 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_237.txt b/protein_pdb_237.txt new file mode 100644 index 0000000000000000000000000000000000000000..37da437a43385c4909cf8b4634dd38c38f6a567f --- /dev/null +++ b/protein_pdb_237.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 9.434 -2.679 -11.230 1.00 81.34 N +ATOM 2 CA GLY A 1 9.316 -1.284 -10.831 1.00 82.83 C +ATOM 3 C GLY A 1 9.288 -1.154 -9.329 1.00 83.93 C +ATOM 4 O GLY A 1 9.304 -2.155 -8.615 1.00 81.35 O +ATOM 5 N PRO A 2 9.228 0.067 -8.828 1.00 80.44 N +ATOM 6 CA PRO A 2 9.212 0.284 -7.394 1.00 82.38 C +ATOM 7 C PRO A 2 7.902 -0.158 -6.758 1.00 82.23 C +ATOM 8 O PRO A 2 6.896 -0.331 -7.433 1.00 79.48 O +ATOM 9 CB PRO A 2 9.416 1.794 -7.260 1.00 78.95 C +ATOM 10 CG PRO A 2 8.836 2.330 -8.518 1.00 74.66 C +ATOM 11 CD PRO A 2 9.194 1.326 -9.573 1.00 74.12 C +HETATM 12 N HYP A 3 7.967 -0.357 -5.491 1.00 81.27 N +HETATM 13 CA HYP A 3 6.725 -0.659 -4.737 1.00 81.66 C +HETATM 14 C HYP A 3 5.718 0.438 -4.878 1.00 84.58 C +HETATM 15 O HYP A 3 6.092 1.617 -5.054 1.00 87.42 O +HETATM 16 CB HYP A 3 7.231 -0.747 -3.277 1.00 82.41 C +HETATM 17 CG HYP A 3 8.665 -1.198 -3.415 1.00 77.15 C +HETATM 18 CD HYP A 3 9.131 -0.404 -4.669 1.00 81.85 C +HETATM 19 OD1 HYP A 3 8.680 -2.574 -3.701 1.00 79.72 O +ATOM 20 N GLY A 4 4.466 0.045 -4.871 1.00 89.60 N +ATOM 21 CA GLY A 4 3.409 1.005 -4.961 1.00 89.75 C +ATOM 22 C GLY A 4 3.350 1.867 -3.711 1.00 90.21 C +ATOM 23 O GLY A 4 4.015 1.580 -2.718 1.00 90.54 O +ATOM 24 N PRO A 5 2.564 2.928 -3.759 1.00 84.54 N +ATOM 25 CA PRO A 5 2.447 3.812 -2.608 1.00 84.26 C +ATOM 26 C PRO A 5 1.659 3.164 -1.486 1.00 83.94 C +ATOM 27 O PRO A 5 0.948 2.188 -1.693 1.00 82.86 O +ATOM 28 CB PRO A 5 1.726 5.030 -3.176 1.00 82.49 C +ATOM 29 CG PRO A 5 0.898 4.459 -4.273 1.00 80.32 C +ATOM 30 CD PRO A 5 1.745 3.376 -4.877 1.00 80.80 C +HETATM 31 N HYP A 6 1.818 3.725 -0.289 1.00 85.68 N +HETATM 32 CA HYP A 6 1.023 3.252 0.830 1.00 92.58 C +HETATM 33 C HYP A 6 -0.444 3.425 0.586 1.00 87.17 C +HETATM 34 O HYP A 6 -0.857 4.373 -0.115 1.00 87.36 O +HETATM 35 CB HYP A 6 1.490 4.208 1.968 1.00 82.13 C +HETATM 36 CG HYP A 6 2.877 4.610 1.557 1.00 80.39 C +HETATM 37 CD HYP A 6 2.747 4.747 0.053 1.00 85.01 C +HETATM 38 OD1 HYP A 6 3.769 3.549 1.857 1.00 83.33 O +ATOM 39 N GLY A 7 -1.200 2.496 1.076 1.00 89.52 N +ATOM 40 CA GLY A 7 -2.624 2.575 0.928 1.00 89.15 C +ATOM 41 C GLY A 7 -3.185 3.742 1.717 1.00 89.40 C +ATOM 42 O GLY A 7 -2.484 4.365 2.509 1.00 88.94 O +ATOM 43 N PRO A 8 -4.444 4.048 1.496 1.00 86.24 N +ATOM 44 CA PRO A 8 -5.064 5.145 2.224 1.00 86.15 C +ATOM 45 C PRO A 8 -5.327 4.769 3.670 1.00 85.72 C +ATOM 46 O PRO A 8 -5.329 3.594 4.030 1.00 83.82 O +ATOM 47 CB PRO A 8 -6.363 5.376 1.460 1.00 83.44 C +ATOM 48 CG PRO A 8 -6.698 4.020 0.945 1.00 83.13 C +ATOM 49 CD PRO A 8 -5.370 3.416 0.570 1.00 84.11 C +HETATM 50 N HYP A 9 -5.531 5.805 4.517 1.00 81.47 N +HETATM 51 CA HYP A 9 -5.904 5.550 5.861 1.00 86.67 C +HETATM 52 C HYP A 9 -7.205 4.827 5.944 1.00 83.28 C +HETATM 53 O HYP A 9 -8.106 5.052 5.124 1.00 83.95 O +HETATM 54 CB HYP A 9 -6.037 6.976 6.464 1.00 78.82 C +HETATM 55 CG HYP A 9 -5.155 7.816 5.643 1.00 74.01 C +HETATM 56 CD HYP A 9 -5.302 7.234 4.273 1.00 79.95 C +HETATM 57 OD1 HYP A 9 -3.817 7.646 6.081 1.00 74.87 O +ATOM 58 N GLY A 10 -7.362 3.933 6.871 1.00 87.31 N +ATOM 59 CA GLY A 10 -8.636 3.287 7.083 1.00 83.85 C +ATOM 60 C GLY A 10 -9.589 4.286 7.704 1.00 83.74 C +ATOM 61 O GLY A 10 -9.217 5.429 7.989 1.00 81.41 O +ATOM 62 N SER A 11 -10.823 3.868 7.928 1.00 85.99 N +ATOM 63 CA SER A 11 -11.773 4.751 8.589 1.00 87.51 C +ATOM 64 C SER A 11 -11.205 5.188 9.933 1.00 88.17 C +ATOM 65 O SER A 11 -11.439 6.304 10.387 1.00 85.32 O +ATOM 66 CB SER A 11 -13.117 4.049 8.768 1.00 83.23 C +ATOM 67 OG SER A 11 -12.957 2.835 9.445 1.00 75.48 O +ATOM 68 N ILE A 12 -10.456 4.302 10.541 1.00 88.20 N +ATOM 69 CA ILE A 12 -9.660 4.564 11.730 1.00 90.17 C +ATOM 70 C ILE A 12 -8.455 3.652 11.602 1.00 89.29 C +ATOM 71 O ILE A 12 -8.593 2.431 11.535 1.00 84.11 O +ATOM 72 CB ILE A 12 -10.415 4.274 13.058 1.00 88.32 C +ATOM 73 CG1 ILE A 12 -11.072 2.903 13.027 1.00 83.42 C +ATOM 74 CG2 ILE A 12 -11.432 5.359 13.349 1.00 80.80 C +ATOM 75 CD1 ILE A 12 -11.642 2.477 14.372 1.00 75.09 C +ATOM 76 N GLY A 13 -7.280 4.221 11.551 1.00 92.50 N +ATOM 77 CA GLY A 13 -6.095 3.394 11.465 1.00 91.67 C +ATOM 78 C GLY A 13 -5.055 3.930 10.520 1.00 92.21 C +ATOM 79 O GLY A 13 -5.287 4.904 9.800 1.00 92.21 O +ATOM 80 N PRO A 14 -3.891 3.303 10.516 1.00 91.11 N +ATOM 81 CA PRO A 14 -2.778 3.742 9.693 1.00 91.28 C +ATOM 82 C PRO A 14 -2.981 3.442 8.220 1.00 91.51 C +ATOM 83 O PRO A 14 -3.882 2.699 7.839 1.00 89.98 O +ATOM 84 CB PRO A 14 -1.603 2.950 10.258 1.00 89.77 C +ATOM 85 CG PRO A 14 -2.234 1.684 10.713 1.00 88.79 C +ATOM 86 CD PRO A 14 -3.553 2.116 11.295 1.00 88.73 C +HETATM 87 N HYP A 15 -2.115 4.041 7.445 1.00 87.86 N +HETATM 88 CA HYP A 15 -2.112 3.745 6.024 1.00 91.38 C +HETATM 89 C HYP A 15 -1.837 2.297 5.753 1.00 91.58 C +HETATM 90 O HYP A 15 -1.166 1.629 6.565 1.00 90.50 O +HETATM 91 CB HYP A 15 -0.926 4.621 5.539 1.00 85.77 C +HETATM 92 CG HYP A 15 -0.851 5.752 6.552 1.00 82.10 C +HETATM 93 CD HYP A 15 -1.171 5.049 7.846 1.00 87.95 C +HETATM 94 OD1 HYP A 15 -1.833 6.707 6.277 1.00 86.12 O +ATOM 95 N GLY A 16 -2.365 1.820 4.669 1.00 92.81 N +ATOM 96 CA GLY A 16 -2.120 0.457 4.286 1.00 92.75 C +ATOM 97 C GLY A 16 -0.668 0.270 3.886 1.00 93.43 C +ATOM 98 O GLY A 16 0.086 1.236 3.761 1.00 93.37 O +ATOM 99 N PRO A 17 -0.270 -0.981 3.684 1.00 89.80 N +ATOM 100 CA PRO A 17 1.102 -1.259 3.309 1.00 90.08 C +ATOM 101 C PRO A 17 1.381 -0.839 1.875 1.00 90.92 C +ATOM 102 O PRO A 17 0.470 -0.626 1.087 1.00 89.56 O +ATOM 103 CB PRO A 17 1.213 -2.770 3.480 1.00 88.58 C +ATOM 104 CG PRO A 17 -0.169 -3.249 3.225 1.00 88.25 C +ATOM 105 CD PRO A 17 -1.064 -2.201 3.822 1.00 88.86 C +HETATM 106 N HYP A 18 2.669 -0.727 1.548 1.00 83.09 N +HETATM 107 CA HYP A 18 3.042 -0.446 0.205 1.00 85.18 C +HETATM 108 C HYP A 18 2.572 -1.507 -0.746 1.00 85.35 C +HETATM 109 O HYP A 18 2.463 -2.697 -0.368 1.00 87.59 O +HETATM 110 CB HYP A 18 4.584 -0.488 0.269 1.00 82.25 C +HETATM 111 CG HYP A 18 4.895 -0.104 1.693 1.00 79.06 C +HETATM 112 CD HYP A 18 3.779 -0.800 2.445 1.00 84.97 C +HETATM 113 OD1 HYP A 18 4.745 1.305 1.848 1.00 83.46 O +ATOM 114 N GLY A 19 2.257 -1.101 -1.937 1.00 87.90 N +ATOM 115 CA GLY A 19 1.848 -2.029 -2.955 1.00 88.29 C +ATOM 116 C GLY A 19 3.018 -2.872 -3.409 1.00 89.01 C +ATOM 117 O GLY A 19 4.165 -2.622 -3.044 1.00 89.45 O +ATOM 118 N PRO A 20 2.736 -3.892 -4.201 1.00 70.71 N +ATOM 119 CA PRO A 20 3.795 -4.757 -4.688 1.00 72.55 C +ATOM 120 C PRO A 20 4.644 -4.061 -5.733 1.00 72.81 C +ATOM 121 O PRO A 20 4.265 -3.034 -6.278 1.00 75.06 O +ATOM 122 CB PRO A 20 3.021 -5.935 -5.283 1.00 71.81 C +ATOM 123 CG PRO A 20 1.747 -5.319 -5.727 1.00 68.95 C +ATOM 124 CD PRO A 20 1.425 -4.288 -4.681 1.00 67.75 C +HETATM 125 N HYP A 21 5.824 -4.631 -5.974 1.00 78.66 N +HETATM 126 CA HYP A 21 6.646 -4.119 -7.028 1.00 79.08 C +HETATM 127 C HYP A 21 5.956 -4.088 -8.377 1.00 78.86 C +HETATM 128 O HYP A 21 5.142 -4.970 -8.667 1.00 86.00 O +HETATM 129 CB HYP A 21 7.832 -5.087 -7.071 1.00 76.96 C +HETATM 130 CG HYP A 21 7.919 -5.626 -5.654 1.00 69.41 C +HETATM 131 CD HYP A 21 6.475 -5.737 -5.247 1.00 76.83 C +HETATM 132 OD1 HYP A 21 8.531 -4.646 -4.808 1.00 75.62 O +ATOM 133 N GLY A 22 6.184 -3.024 -9.113 1.00 83.21 N +ATOM 134 CA GLY A 22 5.594 -2.891 -10.412 1.00 81.36 C +ATOM 135 C GLY A 22 6.211 -3.881 -11.386 1.00 80.64 C +ATOM 136 O GLY A 22 7.113 -4.634 -11.031 1.00 80.74 O +ATOM 137 N PRO A 23 5.741 -3.871 -12.623 1.00 86.91 N +ATOM 138 CA PRO A 23 6.282 -4.790 -13.616 1.00 87.16 C +ATOM 139 C PRO A 23 7.725 -4.455 -13.932 1.00 85.83 C +ATOM 140 O PRO A 23 8.195 -3.354 -13.689 1.00 82.36 O +ATOM 141 CB PRO A 23 5.372 -4.592 -14.817 1.00 83.38 C +ATOM 142 CG PRO A 23 4.873 -3.203 -14.660 1.00 79.96 C +ATOM 143 CD PRO A 23 4.711 -3.013 -13.178 1.00 81.11 C +HETATM 144 N HYP A 24 8.446 -5.323 -14.438 1.00 86.77 N +HETATM 145 CA HYP A 24 9.865 -5.088 -14.721 1.00 80.72 C +HETATM 146 C HYP A 24 10.261 -3.687 -14.761 1.00 80.79 C +HETATM 147 O HYP A 24 10.633 -3.142 -15.806 1.00 76.02 O +HETATM 148 CB HYP A 24 10.201 -5.971 -15.842 1.00 78.07 C +HETATM 149 CG HYP A 24 9.109 -7.009 -15.910 1.00 78.03 C +HETATM 150 CD HYP A 24 7.903 -6.375 -15.230 1.00 83.74 C +HETATM 151 OD1 HYP A 24 9.458 -8.146 -15.123 1.00 80.22 O +HETATM 152 OXT HYP A 24 10.270 -3.090 -13.661 1.00 76.63 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_238.txt b/protein_pdb_238.txt new file mode 100644 index 0000000000000000000000000000000000000000..edd5361440e8940d11c44c725f75f79b0eb8a546 --- /dev/null +++ b/protein_pdb_238.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -30.409 16.981 0.326 1.00 85.80 N +ATOM 2 CA GLY A 1 -29.611 17.190 -0.876 1.00 89.32 C +ATOM 3 C GLY A 1 -28.943 15.908 -1.340 1.00 89.64 C +ATOM 4 O GLY A 1 -29.011 14.889 -0.652 1.00 87.53 O +ATOM 5 N PRO A 2 -28.276 15.932 -2.484 1.00 87.22 N +ATOM 6 CA PRO A 2 -27.609 14.734 -3.006 1.00 89.88 C +ATOM 7 C PRO A 2 -26.390 14.371 -2.163 1.00 89.40 C +ATOM 8 O PRO A 2 -25.833 15.206 -1.462 1.00 88.38 O +ATOM 9 CB PRO A 2 -27.219 15.128 -4.428 1.00 87.41 C +ATOM 10 CG PRO A 2 -27.021 16.603 -4.328 1.00 84.30 C +ATOM 11 CD PRO A 2 -28.117 17.063 -3.390 1.00 85.58 C +HETATM 12 N HYP A 3 -26.046 13.186 -2.202 1.00 90.97 N +HETATM 13 CA HYP A 3 -24.785 12.690 -1.545 1.00 89.06 C +HETATM 14 C HYP A 3 -23.546 13.411 -2.028 1.00 86.98 C +HETATM 15 O HYP A 3 -23.462 13.850 -3.189 1.00 89.22 O +HETATM 16 CB HYP A 3 -24.760 11.199 -1.949 1.00 85.12 C +HETATM 17 CG HYP A 3 -26.227 10.840 -2.257 1.00 82.68 C +HETATM 18 CD HYP A 3 -26.757 12.129 -2.920 1.00 87.32 C +HETATM 19 OD1 HYP A 3 -26.961 10.577 -1.099 1.00 88.88 O +ATOM 20 N GLY A 4 -22.559 13.587 -1.145 1.00 92.02 N +ATOM 21 CA GLY A 4 -21.332 14.254 -1.498 1.00 92.07 C +ATOM 22 C GLY A 4 -20.454 13.378 -2.388 1.00 92.14 C +ATOM 23 O GLY A 4 -20.762 12.206 -2.615 1.00 91.73 O +ATOM 24 N PRO A 5 -19.353 13.934 -2.894 1.00 91.64 N +ATOM 25 CA PRO A 5 -18.459 13.172 -3.760 1.00 91.99 C +ATOM 26 C PRO A 5 -17.722 12.086 -2.985 1.00 91.70 C +ATOM 27 O PRO A 5 -17.563 12.176 -1.774 1.00 90.83 O +ATOM 28 CB PRO A 5 -17.498 14.223 -4.305 1.00 89.84 C +ATOM 29 CG PRO A 5 -17.458 15.235 -3.209 1.00 88.34 C +ATOM 30 CD PRO A 5 -18.877 15.297 -2.705 1.00 90.40 C +HETATM 31 N HYP A 6 -17.321 11.079 -3.687 1.00 90.78 N +HETATM 32 CA HYP A 6 -16.463 10.005 -3.063 1.00 92.26 C +HETATM 33 C HYP A 6 -15.196 10.544 -2.514 1.00 90.25 C +HETATM 34 O HYP A 6 -14.615 11.521 -3.043 1.00 88.88 O +HETATM 35 CB HYP A 6 -16.232 9.086 -4.273 1.00 87.46 C +HETATM 36 CG HYP A 6 -17.424 9.303 -5.196 1.00 86.36 C +HETATM 37 CD HYP A 6 -17.676 10.789 -5.046 1.00 89.93 C +HETATM 38 OD1 HYP A 6 -18.541 8.560 -4.767 1.00 86.35 O +ATOM 39 N GLY A 7 -14.689 9.947 -1.401 1.00 91.72 N +ATOM 40 CA GLY A 7 -13.455 10.353 -0.773 1.00 91.16 C +ATOM 41 C GLY A 7 -12.254 9.942 -1.598 1.00 91.93 C +ATOM 42 O GLY A 7 -12.380 9.228 -2.596 1.00 91.80 O +ATOM 43 N PRO A 8 -11.052 10.367 -1.187 1.00 91.04 N +ATOM 44 CA PRO A 8 -9.837 10.016 -1.917 1.00 91.27 C +ATOM 45 C PRO A 8 -9.489 8.540 -1.727 1.00 91.03 C +ATOM 46 O PRO A 8 -9.944 7.900 -0.782 1.00 89.79 O +ATOM 47 CB PRO A 8 -8.783 10.925 -1.297 1.00 89.27 C +ATOM 48 CG PRO A 8 -9.276 11.097 0.099 1.00 89.15 C +ATOM 49 CD PRO A 8 -10.774 11.210 -0.043 1.00 90.90 C +HETATM 50 N HYP A 9 -8.692 7.998 -2.598 1.00 90.57 N +HETATM 51 CA HYP A 9 -8.198 6.621 -2.469 1.00 90.09 C +HETATM 52 C HYP A 9 -7.415 6.417 -1.260 1.00 90.15 C +HETATM 53 O HYP A 9 -6.736 7.349 -0.751 1.00 88.93 O +HETATM 54 CB HYP A 9 -7.329 6.486 -3.759 1.00 89.41 C +HETATM 55 CG HYP A 9 -7.938 7.444 -4.731 1.00 87.65 C +HETATM 56 CD HYP A 9 -8.329 8.586 -3.851 1.00 90.30 C +HETATM 57 OD1 HYP A 9 -9.072 6.884 -5.350 1.00 86.29 O +ATOM 58 N GLY A 10 -7.386 5.198 -0.700 1.00 89.87 N +ATOM 59 CA GLY A 10 -6.639 4.866 0.489 1.00 88.28 C +ATOM 60 C GLY A 10 -5.145 5.024 0.292 1.00 88.18 C +ATOM 61 O GLY A 10 -4.649 5.137 -0.836 1.00 86.65 O +ATOM 62 N MET A 11 -4.400 5.019 1.404 1.00 90.02 N +ATOM 63 CA MET A 11 -2.951 5.135 1.364 1.00 90.14 C +ATOM 64 C MET A 11 -2.315 3.908 0.724 1.00 89.89 C +ATOM 65 O MET A 11 -2.824 2.797 0.841 1.00 87.68 O +ATOM 66 CB MET A 11 -2.394 5.304 2.778 1.00 86.75 C +ATOM 67 CG MET A 11 -2.762 6.604 3.436 1.00 81.61 C +ATOM 68 SD MET A 11 -2.272 6.644 5.160 1.00 77.03 S +ATOM 69 CE MET A 11 -0.507 6.408 5.029 1.00 71.75 C +ATOM 70 N ALA A 12 -1.177 4.118 0.067 1.00 86.04 N +ATOM 71 CA ALA A 12 -0.437 3.006 -0.514 1.00 85.92 C +ATOM 72 C ALA A 12 0.071 2.114 0.608 1.00 86.05 C +ATOM 73 O ALA A 12 0.351 2.586 1.712 1.00 81.23 O +ATOM 74 CB ALA A 12 0.741 3.529 -1.340 1.00 82.39 C +ATOM 75 N GLY A 13 0.169 0.824 0.325 1.00 89.09 N +ATOM 76 CA GLY A 13 0.654 -0.111 1.319 1.00 87.46 C +ATOM 77 C GLY A 13 2.141 0.047 1.584 1.00 88.13 C +ATOM 78 O GLY A 13 2.827 0.781 0.872 1.00 88.98 O +ATOM 79 N PRO A 14 2.672 -0.638 2.610 1.00 86.52 N +ATOM 80 CA PRO A 14 4.087 -0.545 2.940 1.00 88.25 C +ATOM 81 C PRO A 14 4.940 -1.238 1.897 1.00 88.14 C +ATOM 82 O PRO A 14 4.456 -2.077 1.149 1.00 87.42 O +ATOM 83 CB PRO A 14 4.184 -1.235 4.298 1.00 85.97 C +ATOM 84 CG PRO A 14 3.090 -2.242 4.241 1.00 85.22 C +ATOM 85 CD PRO A 14 1.961 -1.524 3.537 1.00 85.99 C +HETATM 86 N HYP A 15 6.215 -0.901 1.847 1.00 85.07 N +HETATM 87 CA HYP A 15 7.168 -1.571 0.977 1.00 83.38 C +HETATM 88 C HYP A 15 7.273 -3.064 1.237 1.00 86.07 C +HETATM 89 O HYP A 15 6.994 -3.508 2.372 1.00 86.54 O +HETATM 90 CB HYP A 15 8.476 -0.867 1.365 1.00 81.98 C +HETATM 91 CG HYP A 15 8.022 0.479 1.845 1.00 80.31 C +HETATM 92 CD HYP A 15 6.758 0.171 2.549 1.00 84.74 C +HETATM 93 OD1 HYP A 15 7.772 1.341 0.772 1.00 84.22 O +ATOM 94 N GLY A 16 7.565 -3.834 0.235 1.00 92.21 N +ATOM 95 CA GLY A 16 7.701 -5.258 0.389 1.00 91.46 C +ATOM 96 C GLY A 16 8.913 -5.602 1.237 1.00 92.02 C +ATOM 97 O GLY A 16 9.699 -4.725 1.601 1.00 92.20 O +ATOM 98 N PRO A 17 9.091 -6.896 1.565 1.00 85.10 N +ATOM 99 CA PRO A 17 10.224 -7.309 2.385 1.00 86.38 C +ATOM 100 C PRO A 17 11.536 -7.152 1.635 1.00 86.03 C +ATOM 101 O PRO A 17 11.569 -7.156 0.413 1.00 85.82 O +ATOM 102 CB PRO A 17 9.916 -8.773 2.702 1.00 84.21 C +ATOM 103 CG PRO A 17 9.113 -9.213 1.531 1.00 82.53 C +ATOM 104 CD PRO A 17 8.235 -8.024 1.212 1.00 83.35 C +HETATM 105 N HYP A 18 12.637 -7.037 2.352 1.00 86.66 N +HETATM 106 CA HYP A 18 13.946 -6.955 1.760 1.00 89.79 C +HETATM 107 C HYP A 18 14.318 -8.191 0.958 1.00 86.96 C +HETATM 108 O HYP A 18 13.857 -9.326 1.262 1.00 88.77 O +HETATM 109 CB HYP A 18 14.846 -6.873 3.009 1.00 86.77 C +HETATM 110 CG HYP A 18 13.990 -6.251 4.069 1.00 83.03 C +HETATM 111 CD HYP A 18 12.639 -6.840 3.775 1.00 86.72 C +HETATM 112 OD1 HYP A 18 13.936 -4.852 3.913 1.00 87.55 O +ATOM 113 N GLY A 19 15.070 -8.011 -0.115 1.00 89.51 N +ATOM 114 CA GLY A 19 15.508 -9.107 -0.939 1.00 88.37 C +ATOM 115 C GLY A 19 16.522 -9.958 -0.199 1.00 89.43 C +ATOM 116 O GLY A 19 16.981 -9.597 0.888 1.00 89.35 O +ATOM 117 N PRO A 20 16.909 -11.106 -0.778 1.00 82.31 N +ATOM 118 CA PRO A 20 17.871 -11.989 -0.130 1.00 83.38 C +ATOM 119 C PRO A 20 19.265 -11.388 -0.156 1.00 82.13 C +ATOM 120 O PRO A 20 19.573 -10.535 -0.978 1.00 82.21 O +ATOM 121 CB PRO A 20 17.775 -13.270 -0.955 1.00 80.11 C +ATOM 122 CG PRO A 20 17.402 -12.772 -2.311 1.00 77.86 C +ATOM 123 CD PRO A 20 16.428 -11.650 -2.044 1.00 78.64 C +HETATM 124 N HYP A 21 20.175 -11.829 0.748 1.00 90.98 N +HETATM 125 CA HYP A 21 21.528 -11.392 0.743 1.00 88.35 C +HETATM 126 C HYP A 21 22.279 -11.732 -0.527 1.00 89.69 C +HETATM 127 O HYP A 21 21.960 -12.760 -1.171 1.00 90.64 O +HETATM 128 CB HYP A 21 22.150 -12.233 1.932 1.00 89.55 C +HETATM 129 CG HYP A 21 20.992 -12.517 2.846 1.00 85.66 C +HETATM 130 CD HYP A 21 19.854 -12.685 1.892 1.00 88.31 C +HETATM 131 OD1 HYP A 21 20.724 -11.400 3.706 1.00 89.30 O +ATOM 132 N GLY A 22 23.200 -10.907 -0.988 1.00 88.54 N +ATOM 133 CA GLY A 22 23.979 -11.145 -2.170 1.00 88.16 C +ATOM 134 C GLY A 22 24.899 -12.341 -1.979 1.00 88.74 C +ATOM 135 O GLY A 22 25.014 -12.870 -0.874 1.00 87.84 O +ATOM 136 N PRO A 23 25.610 -12.764 -3.037 1.00 87.34 N +ATOM 137 CA PRO A 23 26.506 -13.908 -2.937 1.00 88.46 C +ATOM 138 C PRO A 23 27.698 -13.584 -2.054 1.00 87.34 C +ATOM 139 O PRO A 23 28.124 -12.428 -1.966 1.00 84.30 O +ATOM 140 CB PRO A 23 26.909 -14.184 -4.377 1.00 84.10 C +ATOM 141 CG PRO A 23 26.792 -12.848 -5.032 1.00 81.04 C +ATOM 142 CD PRO A 23 25.579 -12.225 -4.388 1.00 82.65 C +HETATM 143 N HYP A 24 28.341 -14.569 -1.418 1.00 88.56 N +HETATM 144 CA HYP A 24 29.483 -14.242 -0.562 1.00 88.43 C +HETATM 145 C HYP A 24 30.624 -13.719 -1.404 1.00 87.56 C +HETATM 146 O HYP A 24 31.495 -13.101 -0.884 1.00 88.36 O +HETATM 147 CB HYP A 24 29.908 -15.686 -0.050 1.00 88.23 C +HETATM 148 CG HYP A 24 28.734 -16.582 -0.207 1.00 86.38 C +HETATM 149 CD HYP A 24 27.976 -15.993 -1.405 1.00 89.30 C +HETATM 150 OD1 HYP A 24 27.901 -16.505 0.931 1.00 84.07 O +HETATM 151 OXT HYP A 24 30.636 -13.974 -2.619 1.00 82.43 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_239.txt b/protein_pdb_239.txt new file mode 100644 index 0000000000000000000000000000000000000000..f7b6e969bb1e28265843267348fdd750ce7cfa28 --- /dev/null +++ b/protein_pdb_239.txt @@ -0,0 +1,151 @@ +ATOM 1 N GLY A 1 -25.885 7.815 -23.217 1.00 90.21 N +ATOM 2 CA GLY A 1 -24.527 8.333 -23.356 1.00 91.74 C +ATOM 3 C GLY A 1 -23.495 7.242 -23.198 1.00 92.53 C +ATOM 4 O GLY A 1 -23.831 6.115 -22.825 1.00 90.14 O +ATOM 5 N PRO A 2 -22.240 7.519 -23.478 1.00 93.21 N +ATOM 6 CA PRO A 2 -21.183 6.520 -23.351 1.00 94.05 C +ATOM 7 C PRO A 2 -20.896 6.189 -21.894 1.00 94.74 C +ATOM 8 O PRO A 2 -21.183 6.973 -20.996 1.00 92.73 O +ATOM 9 CB PRO A 2 -19.980 7.181 -24.024 1.00 91.79 C +ATOM 10 CG PRO A 2 -20.219 8.628 -23.789 1.00 89.47 C +ATOM 11 CD PRO A 2 -21.712 8.800 -23.939 1.00 90.93 C +HETATM 12 N HYP A 3 -20.372 5.044 -21.682 1.00 95.25 N +HETATM 13 CA HYP A 3 -19.942 4.645 -20.349 1.00 95.16 C +HETATM 14 C HYP A 3 -18.910 5.594 -19.777 1.00 96.19 C +HETATM 15 O HYP A 3 -18.138 6.210 -20.525 1.00 94.46 O +HETATM 16 CB HYP A 3 -19.306 3.290 -20.594 1.00 93.50 C +HETATM 17 CG HYP A 3 -19.904 2.799 -21.875 1.00 91.69 C +HETATM 18 CD HYP A 3 -20.071 4.058 -22.680 1.00 94.34 C +HETATM 19 OD1 HYP A 3 -21.136 2.180 -21.657 1.00 92.97 O +ATOM 20 N GLY A 4 -18.931 5.719 -18.477 1.00 96.61 N +ATOM 21 CA GLY A 4 -17.977 6.582 -17.824 1.00 96.28 C +ATOM 22 C GLY A 4 -16.578 5.989 -17.883 1.00 96.53 C +ATOM 23 O GLY A 4 -16.404 4.823 -18.267 1.00 96.13 O +ATOM 24 N PRO A 5 -15.573 6.768 -17.495 1.00 96.23 N +ATOM 25 CA PRO A 5 -14.196 6.277 -17.519 1.00 96.18 C +ATOM 26 C PRO A 5 -13.955 5.241 -16.435 1.00 96.31 C +ATOM 27 O PRO A 5 -14.671 5.190 -15.442 1.00 95.55 O +ATOM 28 CB PRO A 5 -13.368 7.544 -17.290 1.00 94.96 C +ATOM 29 CG PRO A 5 -14.269 8.382 -16.453 1.00 93.76 C +ATOM 30 CD PRO A 5 -15.648 8.144 -17.018 1.00 95.30 C +HETATM 31 N HYP A 6 -12.961 4.424 -16.629 1.00 96.48 N +HETATM 32 CA HYP A 6 -12.547 3.483 -15.572 1.00 96.38 C +HETATM 33 C HYP A 6 -12.124 4.166 -14.337 1.00 96.95 C +HETATM 34 O HYP A 6 -11.614 5.290 -14.383 1.00 95.04 O +HETATM 35 CB HYP A 6 -11.354 2.737 -16.223 1.00 94.12 C +HETATM 36 CG HYP A 6 -11.626 2.843 -17.683 1.00 92.57 C +HETATM 37 CD HYP A 6 -12.204 4.221 -17.814 1.00 95.13 C +HETATM 38 OD1 HYP A 6 -12.564 1.866 -18.101 1.00 91.27 O +ATOM 39 N GLY A 7 -12.367 3.534 -13.187 1.00 96.84 N +ATOM 40 CA GLY A 7 -12.004 4.114 -11.916 1.00 96.47 C +ATOM 41 C GLY A 7 -10.499 4.225 -11.774 1.00 96.82 C +ATOM 42 O GLY A 7 -9.742 3.660 -12.562 1.00 96.51 O +ATOM 43 N PRO A 8 -10.053 4.940 -10.742 1.00 96.52 N +ATOM 44 CA PRO A 8 -8.620 5.109 -10.517 1.00 96.29 C +ATOM 45 C PRO A 8 -7.984 3.806 -10.033 1.00 96.20 C +ATOM 46 O PRO A 8 -8.657 2.931 -9.508 1.00 95.04 O +ATOM 47 CB PRO A 8 -8.558 6.197 -9.449 1.00 95.32 C +ATOM 48 CG PRO A 8 -9.824 6.001 -8.692 1.00 94.50 C +ATOM 49 CD PRO A 8 -10.849 5.647 -9.744 1.00 95.98 C +HETATM 50 N HYP A 9 -6.716 3.674 -10.174 1.00 96.65 N +HETATM 51 CA HYP A 9 -5.962 2.550 -9.651 1.00 96.25 C +HETATM 52 C HYP A 9 -6.049 2.450 -8.197 1.00 96.69 C +HETATM 53 O HYP A 9 -6.193 3.442 -7.510 1.00 94.79 O +HETATM 54 CB HYP A 9 -4.487 2.858 -10.102 1.00 94.37 C +HETATM 55 CG HYP A 9 -4.692 3.671 -11.330 1.00 91.65 C +HETATM 56 CD HYP A 9 -5.902 4.491 -10.988 1.00 95.04 C +HETATM 57 OD1 HYP A 9 -4.993 2.841 -12.446 1.00 90.43 O +ATOM 58 N GLY A 10 -6.020 1.225 -7.663 1.00 96.07 N +ATOM 59 CA GLY A 10 -6.099 1.000 -6.239 1.00 95.53 C +ATOM 60 C GLY A 10 -4.898 1.584 -5.517 1.00 95.71 C +ATOM 61 O GLY A 10 -3.883 1.939 -6.125 1.00 94.88 O +ATOM 62 N ALA A 11 -5.013 1.668 -4.204 1.00 95.72 N +ATOM 63 CA ALA A 11 -3.928 2.193 -3.391 1.00 95.20 C +ATOM 64 C ALA A 11 -2.724 1.264 -3.438 1.00 95.48 C +ATOM 65 O ALA A 11 -2.855 0.054 -3.643 1.00 93.88 O +ATOM 66 CB ALA A 11 -4.392 2.360 -1.949 1.00 93.43 C +ATOM 67 N CYS A 12 -1.544 1.836 -3.225 1.00 95.98 N +ATOM 68 CA CYS A 12 -0.320 1.046 -3.183 1.00 95.56 C +ATOM 69 C CYS A 12 -0.439 0.039 -2.040 1.00 95.85 C +ATOM 70 O CYS A 12 -1.003 0.348 -0.995 1.00 94.13 O +ATOM 71 CB CYS A 12 0.887 1.959 -2.948 1.00 92.83 C +ATOM 72 SG CYS A 12 2.466 1.106 -2.981 1.00 82.48 S +ATOM 73 N GLY A 13 0.068 -1.170 -2.258 1.00 95.85 N +ATOM 74 CA GLY A 13 0.018 -2.183 -1.234 1.00 95.71 C +ATOM 75 C GLY A 13 0.839 -1.808 -0.010 1.00 96.30 C +ATOM 76 O GLY A 13 1.624 -0.861 -0.044 1.00 96.26 O +ATOM 77 N PRO A 14 0.681 -2.559 1.085 1.00 95.42 N +ATOM 78 CA PRO A 14 1.427 -2.268 2.306 1.00 95.57 C +ATOM 79 C PRO A 14 2.904 -2.606 2.145 1.00 95.93 C +ATOM 80 O PRO A 14 3.279 -3.402 1.296 1.00 95.08 O +ATOM 81 CB PRO A 14 0.758 -3.150 3.349 1.00 94.28 C +ATOM 82 CG PRO A 14 0.271 -4.312 2.550 1.00 93.12 C +ATOM 83 CD PRO A 14 -0.214 -3.699 1.260 1.00 94.44 C +HETATM 84 N HYP A 15 3.746 -2.007 2.959 1.00 96.15 N +HETATM 85 CA HYP A 15 5.155 -2.327 3.002 1.00 95.76 C +HETATM 86 C HYP A 15 5.417 -3.763 3.264 1.00 96.76 C +HETATM 87 O HYP A 15 4.602 -4.419 3.927 1.00 93.92 O +HETATM 88 CB HYP A 15 5.661 -1.442 4.116 1.00 94.73 C +HETATM 89 CG HYP A 15 4.710 -0.289 4.134 1.00 93.12 C +HETATM 90 CD HYP A 15 3.412 -0.938 3.823 1.00 95.29 C +HETATM 91 OD1 HYP A 15 5.013 0.652 3.144 1.00 93.49 O +ATOM 92 N GLY A 16 6.473 -4.306 2.763 1.00 96.92 N +ATOM 93 CA GLY A 16 6.829 -5.670 3.023 1.00 96.46 C +ATOM 94 C GLY A 16 7.220 -5.857 4.484 1.00 96.71 C +ATOM 95 O GLY A 16 7.359 -4.889 5.231 1.00 96.45 O +ATOM 96 N PRO A 17 7.402 -7.109 4.900 1.00 95.71 N +ATOM 97 CA PRO A 17 7.770 -7.380 6.284 1.00 95.28 C +ATOM 98 C PRO A 17 9.185 -6.905 6.588 1.00 95.20 C +ATOM 99 O PRO A 17 10.004 -6.749 5.696 1.00 94.17 O +ATOM 100 CB PRO A 17 7.646 -8.894 6.395 1.00 93.86 C +ATOM 101 CG PRO A 17 7.939 -9.354 5.008 1.00 93.07 C +ATOM 102 CD PRO A 17 7.279 -8.331 4.116 1.00 94.84 C +HETATM 103 N HYP A 18 9.494 -6.682 7.830 1.00 96.75 N +HETATM 104 CA HYP A 18 10.814 -6.350 8.274 1.00 95.98 C +HETATM 105 C HYP A 18 11.829 -7.369 7.895 1.00 96.76 C +HETATM 106 O HYP A 18 11.514 -8.585 7.858 1.00 95.04 O +HETATM 107 CB HYP A 18 10.691 -6.220 9.775 1.00 95.05 C +HETATM 108 CG HYP A 18 9.247 -5.863 10.022 1.00 94.35 C +HETATM 109 CD HYP A 18 8.554 -6.641 8.930 1.00 95.55 C +HETATM 110 OD1 HYP A 18 9.009 -4.486 9.812 1.00 93.13 O +ATOM 111 N GLY A 19 13.030 -6.954 7.565 1.00 95.34 N +ATOM 112 CA GLY A 19 14.081 -7.874 7.215 1.00 94.96 C +ATOM 113 C GLY A 19 14.499 -8.674 8.441 1.00 95.41 C +ATOM 114 O GLY A 19 14.086 -8.386 9.564 1.00 95.01 O +ATOM 115 N PRO A 20 15.334 -9.684 8.238 1.00 94.81 N +ATOM 116 CA PRO A 20 15.783 -10.511 9.356 1.00 94.18 C +ATOM 117 C PRO A 20 16.729 -9.741 10.269 1.00 94.11 C +ATOM 118 O PRO A 20 17.342 -8.762 9.865 1.00 92.20 O +ATOM 119 CB PRO A 20 16.481 -11.678 8.664 1.00 92.46 C +ATOM 120 CG PRO A 20 16.978 -11.070 7.393 1.00 91.30 C +ATOM 121 CD PRO A 20 15.882 -10.131 6.968 1.00 93.79 C +HETATM 122 N HYP A 21 16.881 -10.166 11.499 1.00 95.25 N +HETATM 123 CA HYP A 21 17.782 -9.574 12.435 1.00 94.37 C +HETATM 124 C HYP A 21 19.209 -9.616 11.971 1.00 96.17 C +HETATM 125 O HYP A 21 19.593 -10.567 11.285 1.00 93.91 O +HETATM 126 CB HYP A 21 17.628 -10.420 13.703 1.00 93.54 C +HETATM 127 CG HYP A 21 16.222 -10.992 13.614 1.00 92.73 C +HETATM 128 CD HYP A 21 16.072 -11.208 12.123 1.00 93.90 C +HETATM 129 OD1 HYP A 21 15.252 -10.042 14.027 1.00 91.24 O +ATOM 130 N GLY A 22 19.983 -8.599 12.288 1.00 92.64 N +ATOM 131 CA GLY A 22 21.368 -8.571 11.901 1.00 92.19 C +ATOM 132 C GLY A 22 22.146 -9.655 12.623 1.00 92.63 C +ATOM 133 O GLY A 22 21.627 -10.309 13.529 1.00 91.38 O +ATOM 134 N PRO A 23 23.428 -9.851 12.276 1.00 91.02 N +ATOM 135 CA PRO A 23 24.235 -10.885 12.911 1.00 91.28 C +ATOM 136 C PRO A 23 24.554 -10.527 14.348 1.00 90.64 C +ATOM 137 O PRO A 23 24.610 -9.358 14.717 1.00 86.50 O +ATOM 138 CB PRO A 23 25.488 -10.939 12.040 1.00 87.69 C +ATOM 139 CG PRO A 23 25.606 -9.547 11.522 1.00 84.37 C +ATOM 140 CD PRO A 23 24.176 -9.134 11.254 1.00 87.56 C +HETATM 141 N HYP A 24 24.814 -11.520 15.186 1.00 92.06 N +HETATM 142 CA HYP A 24 25.200 -11.170 16.562 1.00 88.83 C +HETATM 143 C HYP A 24 26.599 -10.618 16.516 1.00 88.75 C +HETATM 144 O HYP A 24 26.773 -9.552 17.018 1.00 87.16 O +HETATM 145 CB HYP A 24 25.271 -12.535 17.320 1.00 88.93 C +HETATM 146 CG HYP A 24 24.466 -13.508 16.525 1.00 87.86 C +HETATM 147 CD HYP A 24 24.529 -12.952 15.096 1.00 89.76 C +HETATM 148 OD1 HYP A 24 23.110 -13.426 16.974 1.00 86.03 O +HETATM 149 OXT HYP A 24 27.502 -11.283 15.927 1.00 82.24 O +TER 150 HYP A 24 +END diff --git a/protein_pdb_24.txt b/protein_pdb_24.txt new file mode 100644 index 0000000000000000000000000000000000000000..89ca0d6d14c3b637d013cbb9ac7f2ac2ec90f75f --- /dev/null +++ b/protein_pdb_24.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 33.316 -6.616 9.763 1.00 82.24 N +ATOM 2 CA GLY A 1 33.022 -6.649 8.338 1.00 86.00 C +ATOM 3 C GLY A 1 32.099 -5.523 7.931 1.00 86.80 C +ATOM 4 O GLY A 1 31.556 -4.819 8.789 1.00 83.84 O +ATOM 5 N PRO A 2 31.905 -5.324 6.655 1.00 83.91 N +ATOM 6 CA PRO A 2 31.021 -4.261 6.181 1.00 88.07 C +ATOM 7 C PRO A 2 29.563 -4.573 6.484 1.00 87.91 C +ATOM 8 O PRO A 2 29.195 -5.718 6.738 1.00 86.11 O +ATOM 9 CB PRO A 2 31.278 -4.222 4.676 1.00 85.42 C +ATOM 10 CG PRO A 2 31.683 -5.627 4.351 1.00 81.51 C +ATOM 11 CD PRO A 2 32.469 -6.102 5.548 1.00 82.15 C +HETATM 12 N HYP A 3 28.812 -3.588 6.495 1.00 85.97 N +HETATM 13 CA HYP A 3 27.339 -3.736 6.627 1.00 86.75 C +HETATM 14 C HYP A 3 26.778 -4.634 5.581 1.00 86.17 C +HETATM 15 O HYP A 3 27.290 -4.697 4.451 1.00 87.28 O +HETATM 16 CB HYP A 3 26.839 -2.330 6.570 1.00 83.07 C +HETATM 17 CG HYP A 3 28.009 -1.485 7.053 1.00 83.33 C +HETATM 18 CD HYP A 3 29.196 -2.224 6.418 1.00 85.75 C +HETATM 19 OD1 HYP A 3 28.143 -1.536 8.440 1.00 87.79 O +ATOM 20 N GLY A 4 25.717 -5.381 5.927 1.00 90.34 N +ATOM 21 CA GLY A 4 25.066 -6.257 4.984 1.00 89.45 C +ATOM 22 C GLY A 4 24.347 -5.471 3.900 1.00 88.82 C +ATOM 23 O GLY A 4 24.223 -4.244 3.977 1.00 87.33 O +ATOM 24 N PRO A 5 23.862 -6.166 2.883 1.00 90.31 N +ATOM 25 CA PRO A 5 23.155 -5.494 1.803 1.00 89.67 C +ATOM 26 C PRO A 5 21.807 -4.953 2.265 1.00 89.50 C +ATOM 27 O PRO A 5 21.256 -5.402 3.262 1.00 88.18 O +ATOM 28 CB PRO A 5 22.981 -6.591 0.752 1.00 87.89 C +ATOM 29 CG PRO A 5 22.955 -7.850 1.564 1.00 86.58 C +ATOM 30 CD PRO A 5 23.919 -7.609 2.696 1.00 87.63 C +HETATM 31 N HYP A 6 21.333 -3.990 1.552 1.00 86.47 N +HETATM 32 CA HYP A 6 19.972 -3.482 1.821 1.00 89.55 C +HETATM 33 C HYP A 6 18.949 -4.587 1.727 1.00 88.29 C +HETATM 34 O HYP A 6 19.117 -5.545 0.946 1.00 87.99 O +HETATM 35 CB HYP A 6 19.795 -2.454 0.693 1.00 86.96 C +HETATM 36 CG HYP A 6 21.198 -1.993 0.383 1.00 83.97 C +HETATM 37 CD HYP A 6 22.006 -3.285 0.523 1.00 86.14 C +HETATM 38 OD1 HYP A 6 21.642 -1.059 1.337 1.00 86.12 O +ATOM 39 N GLY A 7 17.892 -4.465 2.542 1.00 91.51 N +ATOM 40 CA GLY A 7 16.812 -5.416 2.506 1.00 90.26 C +ATOM 41 C GLY A 7 16.013 -5.305 1.223 1.00 90.30 C +ATOM 42 O GLY A 7 16.199 -4.378 0.433 1.00 89.30 O +ATOM 43 N PRO A 8 15.102 -6.236 1.005 1.00 87.90 N +ATOM 44 CA PRO A 8 14.279 -6.204 -0.197 1.00 87.66 C +ATOM 45 C PRO A 8 13.271 -5.066 -0.144 1.00 87.81 C +ATOM 46 O PRO A 8 12.963 -4.543 0.919 1.00 85.55 O +ATOM 47 CB PRO A 8 13.586 -7.565 -0.193 1.00 85.36 C +ATOM 48 CG PRO A 8 13.514 -7.916 1.252 1.00 85.20 C +ATOM 49 CD PRO A 8 14.780 -7.373 1.860 1.00 85.92 C +HETATM 50 N HYP A 9 12.754 -4.668 -1.287 1.00 87.88 N +HETATM 51 CA HYP A 9 11.678 -3.691 -1.331 1.00 89.79 C +HETATM 52 C HYP A 9 10.516 -4.137 -0.516 1.00 88.89 C +HETATM 53 O HYP A 9 10.251 -5.354 -0.389 1.00 88.72 O +HETATM 54 CB HYP A 9 11.364 -3.692 -2.872 1.00 88.46 C +HETATM 55 CG HYP A 9 12.666 -4.042 -3.510 1.00 86.66 C +HETATM 56 CD HYP A 9 13.239 -5.082 -2.561 1.00 88.79 C +HETATM 57 OD1 HYP A 9 13.547 -2.916 -3.532 1.00 86.19 O +ATOM 58 N GLY A 10 9.768 -3.156 0.022 1.00 90.80 N +ATOM 59 CA GLY A 10 8.574 -3.450 0.779 1.00 89.35 C +ATOM 60 C GLY A 10 7.500 -4.079 -0.087 1.00 89.74 C +ATOM 61 O GLY A 10 7.611 -4.110 -1.315 1.00 88.39 O +ATOM 62 N PRO A 11 6.444 -4.585 0.541 1.00 89.24 N +ATOM 63 CA PRO A 11 5.364 -5.219 -0.210 1.00 88.98 C +ATOM 64 C PRO A 11 4.563 -4.193 -1.005 1.00 89.24 C +ATOM 65 O PRO A 11 4.555 -3.011 -0.682 1.00 86.99 O +ATOM 66 CB PRO A 11 4.518 -5.870 0.871 1.00 87.15 C +ATOM 67 CG PRO A 11 4.747 -5.015 2.066 1.00 87.18 C +ATOM 68 CD PRO A 11 6.193 -4.592 1.985 1.00 87.55 C +HETATM 69 N HYP A 12 3.885 -4.630 -2.014 1.00 90.07 N +HETATM 70 CA HYP A 12 2.963 -3.768 -2.759 1.00 88.48 C +HETATM 71 C HYP A 12 1.887 -3.216 -1.857 1.00 91.35 C +HETATM 72 O HYP A 12 1.519 -3.842 -0.842 1.00 89.53 O +HETATM 73 CB HYP A 12 2.345 -4.822 -3.755 1.00 87.56 C +HETATM 74 CG HYP A 12 3.420 -5.830 -3.937 1.00 84.93 C +HETATM 75 CD HYP A 12 4.010 -5.941 -2.557 1.00 89.26 C +HETATM 76 OD1 HYP A 12 4.441 -5.361 -4.805 1.00 87.35 O +ATOM 77 N GLY A 13 1.418 -2.032 -2.189 1.00 92.12 N +ATOM 78 CA GLY A 13 0.350 -1.434 -1.434 1.00 90.67 C +ATOM 79 C GLY A 13 -0.938 -2.233 -1.568 1.00 91.21 C +ATOM 80 O GLY A 13 -1.034 -3.149 -2.384 1.00 90.87 O +ATOM 81 N PRO A 14 -1.935 -1.878 -0.767 1.00 90.73 N +ATOM 82 CA PRO A 14 -3.208 -2.590 -0.834 1.00 90.97 C +ATOM 83 C PRO A 14 -3.955 -2.262 -2.118 1.00 91.02 C +ATOM 84 O PRO A 14 -3.710 -1.241 -2.746 1.00 89.28 O +ATOM 85 CB PRO A 14 -3.954 -2.085 0.401 1.00 89.60 C +ATOM 86 CG PRO A 14 -3.401 -0.724 0.621 1.00 88.98 C +ATOM 87 CD PRO A 14 -1.942 -0.827 0.248 1.00 89.98 C +HETATM 88 N HYP A 15 -4.893 -3.123 -2.515 1.00 86.98 N +HETATM 89 CA HYP A 15 -5.742 -2.831 -3.629 1.00 89.95 C +HETATM 90 C HYP A 15 -6.539 -1.547 -3.435 1.00 86.75 C +HETATM 91 O HYP A 15 -6.845 -1.167 -2.302 1.00 88.19 O +HETATM 92 CB HYP A 15 -6.694 -4.061 -3.629 1.00 85.98 C +HETATM 93 CG HYP A 15 -5.859 -5.139 -3.039 1.00 82.95 C +HETATM 94 CD HYP A 15 -5.096 -4.414 -1.970 1.00 87.35 C +HETATM 95 OD1 HYP A 15 -4.931 -5.655 -3.968 1.00 88.44 O +ATOM 96 N GLY A 16 -6.794 -0.859 -4.511 1.00 90.54 N +ATOM 97 CA GLY A 16 -7.573 0.344 -4.442 1.00 88.69 C +ATOM 98 C GLY A 16 -9.000 0.054 -3.994 1.00 89.73 C +ATOM 99 O GLY A 16 -9.427 -1.106 -3.950 1.00 89.53 O +ATOM 100 N PRO A 17 -9.739 1.107 -3.674 1.00 86.52 N +ATOM 101 CA PRO A 17 -11.120 0.913 -3.240 1.00 87.76 C +ATOM 102 C PRO A 17 -12.006 0.482 -4.395 1.00 87.32 C +ATOM 103 O PRO A 17 -11.680 0.690 -5.559 1.00 86.11 O +ATOM 104 CB PRO A 17 -11.514 2.290 -2.708 1.00 86.04 C +ATOM 105 CG PRO A 17 -10.663 3.224 -3.488 1.00 83.80 C +ATOM 106 CD PRO A 17 -9.349 2.510 -3.678 1.00 85.11 C +HETATM 107 N HYP A 18 -13.138 -0.124 -4.109 1.00 85.25 N +HETATM 108 CA HYP A 18 -14.122 -0.443 -5.103 1.00 90.27 C +HETATM 109 C HYP A 18 -14.561 0.765 -5.880 1.00 86.15 C +HETATM 110 O HYP A 18 -14.558 1.892 -5.363 1.00 88.93 O +HETATM 111 CB HYP A 18 -15.260 -1.018 -4.284 1.00 88.19 C +HETATM 112 CG HYP A 18 -14.582 -1.602 -3.101 1.00 84.21 C +HETATM 113 CD HYP A 18 -13.481 -0.602 -2.830 1.00 86.79 C +HETATM 114 OD1 HYP A 18 -13.985 -2.850 -3.397 1.00 89.42 O +ATOM 115 N GLY A 19 -14.884 0.577 -7.147 1.00 89.62 N +ATOM 116 CA GLY A 19 -15.376 1.650 -7.965 1.00 88.36 C +ATOM 117 C GLY A 19 -16.724 2.151 -7.478 1.00 88.42 C +ATOM 118 O GLY A 19 -17.346 1.547 -6.594 1.00 87.23 O +ATOM 119 N PRO A 20 -17.195 3.248 -8.050 1.00 82.81 N +ATOM 120 CA PRO A 20 -18.479 3.797 -7.642 1.00 83.08 C +ATOM 121 C PRO A 20 -19.630 2.920 -8.097 1.00 82.31 C +ATOM 122 O PRO A 20 -19.487 2.093 -8.989 1.00 80.81 O +ATOM 123 CB PRO A 20 -18.499 5.162 -8.328 1.00 79.98 C +ATOM 124 CG PRO A 20 -17.656 4.963 -9.539 1.00 76.50 C +ATOM 125 CD PRO A 20 -16.559 4.025 -9.111 1.00 78.48 C +HETATM 126 N HYP A 21 -20.810 3.060 -7.507 1.00 89.16 N +HETATM 127 CA HYP A 21 -21.973 2.366 -7.908 1.00 89.49 C +HETATM 128 C HYP A 21 -22.342 2.608 -9.360 1.00 90.49 C +HETATM 129 O HYP A 21 -22.051 3.684 -9.883 1.00 89.14 O +HETATM 130 CB HYP A 21 -23.067 2.948 -7.002 1.00 89.53 C +HETATM 131 CG HYP A 21 -22.330 3.367 -5.775 1.00 87.68 C +HETATM 132 CD HYP A 21 -21.018 3.884 -6.352 1.00 89.61 C +HETATM 133 OD1 HYP A 21 -22.044 2.257 -4.942 1.00 88.03 O +ATOM 134 N GLY A 22 -22.925 1.654 -10.017 1.00 85.04 N +ATOM 135 CA GLY A 22 -23.360 1.816 -11.377 1.00 83.28 C +ATOM 136 C GLY A 22 -24.431 2.891 -11.495 1.00 82.20 C +ATOM 137 O GLY A 22 -24.965 3.368 -10.494 1.00 80.11 O +ATOM 138 N PRO A 23 -24.774 3.258 -12.725 1.00 81.63 N +ATOM 139 CA PRO A 23 -25.785 4.292 -12.929 1.00 82.98 C +ATOM 140 C PRO A 23 -27.165 3.787 -12.557 1.00 82.14 C +ATOM 141 O PRO A 23 -27.420 2.584 -12.531 1.00 78.22 O +ATOM 142 CB PRO A 23 -25.672 4.607 -14.416 1.00 77.53 C +ATOM 143 CG PRO A 23 -25.192 3.333 -15.009 1.00 72.37 C +ATOM 144 CD PRO A 23 -24.258 2.745 -13.993 1.00 72.88 C +HETATM 145 N HYP A 24 -28.094 4.648 -12.301 1.00 85.29 N +HETATM 146 CA HYP A 24 -29.432 4.187 -12.044 1.00 85.01 C +HETATM 147 C HYP A 24 -29.967 3.569 -13.331 1.00 85.56 C +HETATM 148 O HYP A 24 -30.600 2.590 -13.210 1.00 82.86 O +HETATM 149 CB HYP A 24 -30.230 5.519 -11.835 1.00 86.59 C +HETATM 150 CG HYP A 24 -29.222 6.537 -11.442 1.00 86.16 C +HETATM 151 CD HYP A 24 -27.940 6.073 -12.137 1.00 84.67 C +HETATM 152 OD1 HYP A 24 -29.005 6.446 -10.050 1.00 81.81 O +HETATM 153 OXT HYP A 24 -29.678 4.136 -14.412 1.00 78.57 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_240.txt b/protein_pdb_240.txt new file mode 100644 index 0000000000000000000000000000000000000000..03b1cfc3bbc527517f71d0f7be17b23f21cacbd7 --- /dev/null +++ b/protein_pdb_240.txt @@ -0,0 +1,145 @@ +ATOM 1 N GLY A 1 4.103 -13.931 32.472 1.00 84.11 N +ATOM 2 CA GLY A 1 5.321 -13.435 31.820 1.00 86.41 C +ATOM 3 C GLY A 1 5.070 -12.128 31.094 1.00 87.31 C +ATOM 4 O GLY A 1 3.927 -11.683 30.990 1.00 85.67 O +ATOM 5 N PRO A 2 6.117 -11.484 30.580 1.00 87.79 N +ATOM 6 CA PRO A 2 5.948 -10.207 29.881 1.00 92.32 C +ATOM 7 C PRO A 2 5.230 -10.390 28.546 1.00 92.57 C +ATOM 8 O PRO A 2 5.264 -11.462 27.934 1.00 89.02 O +ATOM 9 CB PRO A 2 7.390 -9.720 29.688 1.00 89.02 C +ATOM 10 CG PRO A 2 8.162 -10.990 29.601 1.00 83.31 C +ATOM 11 CD PRO A 2 7.528 -11.887 30.641 1.00 83.54 C +ATOM 12 N ALA A 3 4.584 -9.313 28.102 1.00 92.37 N +ATOM 13 CA ALA A 3 3.877 -9.353 26.828 1.00 94.32 C +ATOM 14 C ALA A 3 4.893 -9.483 25.690 1.00 94.35 C +ATOM 15 O ALA A 3 6.021 -8.992 25.779 1.00 91.36 O +ATOM 16 CB ALA A 3 3.049 -8.084 26.639 1.00 91.59 C +ATOM 17 N GLY A 4 4.493 -10.153 24.634 1.00 95.97 N +ATOM 18 CA GLY A 4 5.371 -10.321 23.489 1.00 95.48 C +ATOM 19 C GLY A 4 5.489 -9.043 22.674 1.00 95.83 C +ATOM 20 O GLY A 4 4.785 -8.067 22.940 1.00 95.89 O +ATOM 21 N PRO A 5 6.368 -9.029 21.681 1.00 96.08 N +ATOM 22 CA PRO A 5 6.553 -7.840 20.852 1.00 95.70 C +ATOM 23 C PRO A 5 5.377 -7.625 19.904 1.00 96.08 C +ATOM 24 O PRO A 5 4.598 -8.539 19.637 1.00 94.93 O +ATOM 25 CB PRO A 5 7.842 -8.140 20.087 1.00 93.52 C +ATOM 26 CG PRO A 5 7.795 -9.627 19.936 1.00 92.03 C +ATOM 27 CD PRO A 5 7.276 -10.112 21.278 1.00 93.94 C +ATOM 28 N ALA A 6 5.276 -6.403 19.403 1.00 95.79 N +ATOM 29 CA ALA A 6 4.220 -6.089 18.452 1.00 96.04 C +ATOM 30 C ALA A 6 4.472 -6.870 17.167 1.00 96.19 C +ATOM 31 O ALA A 6 5.624 -7.155 16.808 1.00 93.57 O +ATOM 32 CB ALA A 6 4.204 -4.594 18.153 1.00 94.01 C +ATOM 33 N GLY A 7 3.407 -7.238 16.490 1.00 96.87 N +ATOM 34 CA GLY A 7 3.543 -7.982 15.250 1.00 96.47 C +ATOM 35 C GLY A 7 4.066 -7.104 14.123 1.00 96.60 C +ATOM 36 O GLY A 7 4.188 -5.890 14.279 1.00 96.68 O +ATOM 37 N PRO A 8 4.381 -7.713 12.984 1.00 97.29 N +ATOM 38 CA PRO A 8 4.901 -6.950 11.849 1.00 96.72 C +ATOM 39 C PRO A 8 3.817 -6.108 11.192 1.00 97.09 C +ATOM 40 O PRO A 8 2.627 -6.331 11.381 1.00 95.91 O +ATOM 41 CB PRO A 8 5.422 -8.036 10.899 1.00 94.91 C +ATOM 42 CG PRO A 8 4.487 -9.170 11.166 1.00 93.63 C +ATOM 43 CD PRO A 8 4.299 -9.145 12.674 1.00 95.82 C +ATOM 44 N ALA A 9 4.255 -5.123 10.414 1.00 96.98 N +ATOM 45 CA ALA A 9 3.321 -4.271 9.699 1.00 96.92 C +ATOM 46 C ALA A 9 2.561 -5.133 8.698 1.00 97.26 C +ATOM 47 O ALA A 9 3.086 -6.129 8.188 1.00 95.92 O +ATOM 48 CB ALA A 9 4.066 -3.163 8.964 1.00 95.47 C +ATOM 49 N GLY A 10 1.331 -4.743 8.415 1.00 97.66 N +ATOM 50 CA GLY A 10 0.519 -5.490 7.470 1.00 97.49 C +ATOM 51 C GLY A 10 1.001 -5.301 6.041 1.00 97.60 C +ATOM 52 O GLY A 10 1.932 -4.529 5.783 1.00 97.51 O +ATOM 53 N PRO A 11 0.378 -6.008 5.092 1.00 97.53 N +ATOM 54 CA PRO A 11 0.780 -5.917 3.685 1.00 97.27 C +ATOM 55 C PRO A 11 0.422 -4.562 3.079 1.00 97.54 C +ATOM 56 O PRO A 11 -0.447 -3.861 3.577 1.00 96.83 O +ATOM 57 CB PRO A 11 0.009 -7.057 3.028 1.00 96.06 C +ATOM 58 CG PRO A 11 -1.222 -7.161 3.863 1.00 94.80 C +ATOM 59 CD PRO A 11 -0.722 -6.958 5.273 1.00 96.69 C +HETATM 60 N HYP A 12 1.074 -4.250 1.989 1.00 97.77 N +HETATM 61 CA HYP A 12 0.792 -3.030 1.270 1.00 97.37 C +HETATM 62 C HYP A 12 -0.614 -3.032 0.733 1.00 97.57 C +HETATM 63 O HYP A 12 -1.166 -4.110 0.407 1.00 96.78 O +HETATM 64 CB HYP A 12 1.816 -3.091 0.093 1.00 96.37 C +HETATM 65 CG HYP A 12 2.929 -3.931 0.646 1.00 95.71 C +HETATM 66 CD HYP A 12 2.242 -4.943 1.447 1.00 96.78 C +HETATM 67 OD1 HYP A 12 3.790 -3.180 1.452 1.00 94.51 O +ATOM 68 N GLY A 13 -1.221 -1.870 0.652 1.00 97.82 N +ATOM 69 CA GLY A 13 -2.557 -1.767 0.127 1.00 97.78 C +ATOM 70 C GLY A 13 -2.541 -2.009 -1.375 1.00 97.93 C +ATOM 71 O GLY A 13 -1.480 -2.169 -1.985 1.00 97.73 O +ATOM 72 N PRO A 14 -3.729 -2.042 -1.993 1.00 97.42 N +ATOM 73 CA PRO A 14 -3.817 -2.277 -3.429 1.00 97.35 C +ATOM 74 C PRO A 14 -3.283 -1.100 -4.241 1.00 97.52 C +ATOM 75 O PRO A 14 -3.238 0.025 -3.758 1.00 96.70 O +ATOM 76 CB PRO A 14 -5.312 -2.496 -3.655 1.00 96.23 C +ATOM 77 CG PRO A 14 -5.933 -1.658 -2.590 1.00 94.96 C +ATOM 78 CD PRO A 14 -5.049 -1.876 -1.383 1.00 96.88 C +HETATM 79 N HYP A 15 -2.899 -1.389 -5.454 1.00 97.46 N +HETATM 80 CA HYP A 15 -2.456 -0.325 -6.357 1.00 96.87 C +HETATM 81 C HYP A 15 -3.583 0.676 -6.604 1.00 97.49 C +HETATM 82 O HYP A 15 -4.766 0.291 -6.643 1.00 96.64 O +HETATM 83 CB HYP A 15 -2.168 -1.113 -7.667 1.00 95.94 C +HETATM 84 CG HYP A 15 -1.808 -2.491 -7.192 1.00 95.24 C +HETATM 85 CD HYP A 15 -2.723 -2.724 -6.034 1.00 96.45 C +HETATM 86 OD1 HYP A 15 -0.478 -2.568 -6.749 1.00 93.56 O +ATOM 87 N GLY A 16 -3.206 1.939 -6.718 1.00 97.11 N +ATOM 88 CA GLY A 16 -4.179 2.970 -6.966 1.00 97.19 C +ATOM 89 C GLY A 16 -4.733 2.842 -8.372 1.00 97.42 C +ATOM 90 O GLY A 16 -4.240 2.046 -9.181 1.00 97.22 O +ATOM 91 N PRO A 17 -5.768 3.635 -8.689 1.00 96.60 N +ATOM 92 CA PRO A 17 -6.375 3.573 -10.014 1.00 96.59 C +ATOM 93 C PRO A 17 -5.459 4.167 -11.076 1.00 96.62 C +ATOM 94 O PRO A 17 -4.591 4.984 -10.778 1.00 95.47 O +ATOM 95 CB PRO A 17 -7.655 4.383 -9.845 1.00 95.04 C +ATOM 96 CG PRO A 17 -7.284 5.372 -8.789 1.00 93.79 C +ATOM 97 CD PRO A 17 -6.445 4.583 -7.809 1.00 95.99 C +HETATM 98 N HYP A 18 -5.667 3.738 -12.308 1.00 96.87 N +HETATM 99 CA HYP A 18 -4.917 4.317 -13.409 1.00 96.35 C +HETATM 100 C HYP A 18 -5.183 5.802 -13.529 1.00 96.97 C +HETATM 101 O HYP A 18 -6.271 6.271 -13.214 1.00 96.16 O +HETATM 102 CB HYP A 18 -5.530 3.598 -14.632 1.00 95.01 C +HETATM 103 CG HYP A 18 -6.040 2.271 -14.105 1.00 93.98 C +HETATM 104 CD HYP A 18 -6.552 2.636 -12.735 1.00 95.45 C +HETATM 105 OD1 HYP A 18 -5.008 1.312 -13.955 1.00 91.95 O +ATOM 106 N GLY A 19 -4.163 6.550 -13.923 1.00 95.94 N +ATOM 107 CA GLY A 19 -4.296 7.973 -14.084 1.00 96.08 C +ATOM 108 C GLY A 19 -5.242 8.290 -15.225 1.00 96.44 C +ATOM 109 O GLY A 19 -5.618 7.406 -15.997 1.00 96.32 O +ATOM 110 N PRO A 20 -5.625 9.555 -15.368 1.00 96.03 N +ATOM 111 CA PRO A 20 -6.544 9.942 -16.435 1.00 95.85 C +ATOM 112 C PRO A 20 -5.871 9.853 -17.795 1.00 95.81 C +ATOM 113 O PRO A 20 -4.652 9.944 -17.907 1.00 94.46 O +ATOM 114 CB PRO A 20 -6.921 11.380 -16.069 1.00 94.26 C +ATOM 115 CG PRO A 20 -5.709 11.864 -15.349 1.00 93.05 C +ATOM 116 CD PRO A 20 -5.265 10.682 -14.516 1.00 95.21 C +HETATM 117 N HYP A 21 -6.672 9.654 -18.844 1.00 95.15 N +HETATM 118 CA HYP A 21 -6.145 9.641 -20.183 1.00 94.49 C +HETATM 119 C HYP A 21 -5.489 10.940 -20.519 1.00 94.26 C +HETATM 120 O HYP A 21 -5.896 11.985 -20.049 1.00 92.76 O +HETATM 121 CB HYP A 21 -7.438 9.481 -21.048 1.00 93.04 C +HETATM 122 CG HYP A 21 -8.448 8.817 -20.154 1.00 91.29 C +HETATM 123 CD HYP A 21 -8.125 9.386 -18.802 1.00 93.52 C +HETATM 124 OD1 HYP A 21 -8.253 7.394 -20.112 1.00 90.48 O +ATOM 125 N GLY A 22 -4.393 10.888 -21.313 1.00 94.42 N +ATOM 126 CA GLY A 22 -3.677 12.076 -21.705 1.00 94.29 C +ATOM 127 C GLY A 22 -4.526 12.929 -22.637 1.00 94.30 C +ATOM 128 O GLY A 22 -5.575 12.500 -23.115 1.00 93.20 O +ATOM 129 N PRO A 23 -4.058 14.153 -22.941 1.00 94.19 N +ATOM 130 CA PRO A 23 -4.824 15.028 -23.832 1.00 93.96 C +ATOM 131 C PRO A 23 -4.774 14.512 -25.266 1.00 93.50 C +ATOM 132 O PRO A 23 -3.880 13.748 -25.644 1.00 90.01 O +ATOM 133 CB PRO A 23 -4.109 16.372 -23.686 1.00 91.21 C +ATOM 134 CG PRO A 23 -2.701 15.957 -23.419 1.00 88.11 C +ATOM 135 CD PRO A 23 -2.839 14.774 -22.478 1.00 90.58 C +ATOM 136 N PRO A 24 -5.753 14.905 -26.087 1.00 93.88 N +ATOM 137 CA PRO A 24 -5.735 14.459 -27.481 1.00 92.63 C +ATOM 138 C PRO A 24 -4.594 15.126 -28.250 1.00 90.16 C +ATOM 139 O PRO A 24 -4.011 16.102 -27.757 1.00 85.68 O +ATOM 140 CB PRO A 24 -7.124 14.879 -28.002 1.00 87.21 C +ATOM 141 CG PRO A 24 -7.450 16.052 -27.160 1.00 85.85 C +ATOM 142 CD PRO A 24 -6.944 15.695 -25.786 1.00 87.81 C +ATOM 143 OXT PRO A 24 -4.242 14.661 -29.341 1.00 78.23 O +TER 144 PRO A 24 +END diff --git a/protein_pdb_241.txt b/protein_pdb_241.txt new file mode 100644 index 0000000000000000000000000000000000000000..33f22a6112125a8cefda04b78ef794ef7cfecdda --- /dev/null +++ b/protein_pdb_241.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 27.293 -23.074 1.976 1.00 88.94 N +ATOM 2 CA GLY A 1 26.379 -22.871 3.093 1.00 91.80 C +ATOM 3 C GLY A 1 24.951 -22.710 2.626 1.00 91.80 C +ATOM 4 O GLY A 1 24.696 -22.602 1.421 1.00 90.23 O +ATOM 5 N PRO A 2 23.996 -22.683 3.529 1.00 92.91 N +ATOM 6 CA PRO A 2 22.584 -22.537 3.161 1.00 94.27 C +ATOM 7 C PRO A 2 22.287 -21.132 2.655 1.00 94.11 C +ATOM 8 O PRO A 2 23.024 -20.194 2.919 1.00 93.68 O +ATOM 9 CB PRO A 2 21.841 -22.832 4.464 1.00 92.96 C +ATOM 10 CG PRO A 2 22.809 -22.411 5.510 1.00 89.82 C +ATOM 11 CD PRO A 2 24.158 -22.824 4.970 1.00 91.29 C +HETATM 12 N HYP A 3 21.311 -21.015 1.944 1.00 90.37 N +HETATM 13 CA HYP A 3 20.812 -19.684 1.443 1.00 89.95 C +HETATM 14 C HYP A 3 20.576 -18.730 2.583 1.00 87.27 C +HETATM 15 O HYP A 3 20.264 -19.152 3.701 1.00 90.69 O +HETATM 16 CB HYP A 3 19.518 -20.064 0.760 1.00 87.35 C +HETATM 17 CG HYP A 3 19.677 -21.519 0.348 1.00 87.73 C +HETATM 18 CD HYP A 3 20.480 -22.100 1.529 1.00 89.20 C +HETATM 19 OD1 HYP A 3 20.419 -21.628 -0.825 1.00 90.44 O +ATOM 20 N GLY A 4 20.725 -17.457 2.311 1.00 93.74 N +ATOM 21 CA GLY A 4 20.482 -16.456 3.314 1.00 93.25 C +ATOM 22 C GLY A 4 18.999 -16.364 3.621 1.00 93.32 C +ATOM 23 O GLY A 4 18.173 -16.959 2.926 1.00 93.40 O +ATOM 24 N PRO A 5 18.639 -15.618 4.653 1.00 93.91 N +ATOM 25 CA PRO A 5 17.232 -15.489 5.027 1.00 93.97 C +ATOM 26 C PRO A 5 16.457 -14.678 3.997 1.00 94.10 C +ATOM 27 O PRO A 5 17.028 -13.877 3.264 1.00 94.29 O +ATOM 28 CB PRO A 5 17.290 -14.783 6.383 1.00 92.81 C +ATOM 29 CG PRO A 5 18.545 -13.982 6.295 1.00 90.97 C +ATOM 30 CD PRO A 5 19.514 -14.872 5.545 1.00 92.42 C +HETATM 31 N HYP A 6 15.199 -14.891 3.938 1.00 90.37 N +HETATM 32 CA HYP A 6 14.311 -14.081 3.065 1.00 92.35 C +HETATM 33 C HYP A 6 14.379 -12.624 3.410 1.00 90.19 C +HETATM 34 O HYP A 6 14.588 -12.268 4.590 1.00 87.58 O +HETATM 35 CB HYP A 6 12.934 -14.668 3.410 1.00 85.31 C +HETATM 36 CG HYP A 6 13.196 -16.076 3.882 1.00 87.16 C +HETATM 37 CD HYP A 6 14.508 -15.922 4.634 1.00 88.33 C +HETATM 38 OD1 HYP A 6 13.330 -16.964 2.812 1.00 87.97 O +ATOM 39 N GLY A 7 14.217 -11.777 2.409 1.00 93.41 N +ATOM 40 CA GLY A 7 14.218 -10.355 2.635 1.00 92.36 C +ATOM 41 C GLY A 7 12.995 -9.947 3.429 1.00 92.30 C +ATOM 42 O GLY A 7 12.062 -10.737 3.611 1.00 92.13 O +ATOM 43 N PRO A 8 12.958 -8.707 3.889 1.00 91.70 N +ATOM 44 CA PRO A 8 11.816 -8.238 4.669 1.00 91.86 C +ATOM 45 C PRO A 8 10.563 -8.143 3.812 1.00 91.41 C +ATOM 46 O PRO A 8 10.635 -7.894 2.613 1.00 90.91 O +ATOM 47 CB PRO A 8 12.265 -6.873 5.175 1.00 90.56 C +ATOM 48 CG PRO A 8 13.251 -6.428 4.155 1.00 90.18 C +ATOM 49 CD PRO A 8 13.979 -7.686 3.752 1.00 91.73 C +HETATM 50 N HYP A 9 9.416 -8.311 4.398 1.00 87.88 N +HETATM 51 CA HYP A 9 8.144 -8.219 3.703 1.00 87.59 C +HETATM 52 C HYP A 9 7.930 -6.835 3.211 1.00 86.19 C +HETATM 53 O HYP A 9 8.317 -5.843 3.888 1.00 84.05 O +HETATM 54 CB HYP A 9 7.109 -8.535 4.832 1.00 86.90 C +HETATM 55 CG HYP A 9 7.882 -9.386 5.809 1.00 85.84 C +HETATM 56 CD HYP A 9 9.241 -8.772 5.751 1.00 86.56 C +HETATM 57 OD1 HYP A 9 7.910 -10.706 5.357 1.00 84.32 O +ATOM 58 N GLY A 10 7.282 -6.712 2.055 1.00 90.20 N +ATOM 59 CA GLY A 10 6.927 -5.418 1.545 1.00 87.55 C +ATOM 60 C GLY A 10 5.836 -4.818 2.418 1.00 87.14 C +ATOM 61 O GLY A 10 5.040 -5.542 3.019 1.00 85.89 O +ATOM 62 N SER A 11 5.790 -3.497 2.481 1.00 92.06 N +ATOM 63 CA SER A 11 4.770 -2.819 3.275 1.00 92.38 C +ATOM 64 C SER A 11 3.587 -2.462 2.394 1.00 92.34 C +ATOM 65 O SER A 11 3.731 -2.204 1.202 1.00 90.25 O +ATOM 66 CB SER A 11 5.348 -1.560 3.925 1.00 89.51 C +ATOM 67 OG SER A 11 5.795 -0.665 2.935 1.00 83.33 O +ATOM 68 N GLN A 12 2.412 -2.473 2.973 1.00 87.94 N +ATOM 69 CA GLN A 12 1.223 -2.107 2.221 1.00 88.18 C +ATOM 70 C GLN A 12 1.313 -0.641 1.839 1.00 88.65 C +ATOM 71 O GLN A 12 1.793 0.178 2.615 1.00 82.55 O +ATOM 72 CB GLN A 12 -0.036 -2.369 3.055 1.00 84.45 C +ATOM 73 CG GLN A 12 -1.330 -2.093 2.302 1.00 77.58 C +ATOM 74 CD GLN A 12 -2.565 -2.493 3.089 1.00 72.34 C +ATOM 75 OE1 GLN A 12 -2.474 -2.838 4.257 1.00 69.09 O +ATOM 76 NE2 GLN A 12 -3.719 -2.455 2.441 1.00 67.36 N +ATOM 77 N GLY A 13 0.885 -0.348 0.632 1.00 87.76 N +ATOM 78 CA GLY A 13 0.939 1.024 0.165 1.00 85.67 C +ATOM 79 C GLY A 13 0.025 1.936 0.959 1.00 87.01 C +ATOM 80 O GLY A 13 -0.848 1.473 1.698 1.00 88.57 O +ATOM 81 N PRO A 14 0.207 3.250 0.831 1.00 87.23 N +ATOM 82 CA PRO A 14 -0.621 4.203 1.560 1.00 89.97 C +ATOM 83 C PRO A 14 -2.042 4.213 1.021 1.00 90.12 C +ATOM 84 O PRO A 14 -2.294 3.797 -0.103 1.00 90.83 O +ATOM 85 CB PRO A 14 0.081 5.538 1.320 1.00 89.21 C +ATOM 86 CG PRO A 14 0.729 5.358 -0.006 1.00 88.08 C +ATOM 87 CD PRO A 14 1.215 3.925 0.011 1.00 88.38 C +HETATM 88 N HYP A 15 -2.981 4.715 1.829 1.00 79.78 N +HETATM 89 CA HYP A 15 -4.349 4.843 1.404 1.00 78.45 C +HETATM 90 C HYP A 15 -4.479 5.764 0.181 1.00 80.55 C +HETATM 91 O HYP A 15 -3.663 6.688 0.027 1.00 76.53 O +HETATM 92 CB HYP A 15 -5.001 5.490 2.630 1.00 80.75 C +HETATM 93 CG HYP A 15 -4.161 4.999 3.766 1.00 80.22 C +HETATM 94 CD HYP A 15 -2.799 5.036 3.185 1.00 82.33 C +HETATM 95 OD1 HYP A 15 -4.497 3.700 4.120 1.00 81.98 O +ATOM 96 N GLY A 16 -5.405 5.453 -0.663 1.00 92.74 N +ATOM 97 CA GLY A 16 -5.618 6.269 -1.824 1.00 91.19 C +ATOM 98 C GLY A 16 -6.165 7.632 -1.428 1.00 91.43 C +ATOM 99 O GLY A 16 -6.545 7.851 -0.274 1.00 92.60 O +ATOM 100 N PRO A 17 -6.230 8.565 -2.379 1.00 84.72 N +ATOM 101 CA PRO A 17 -6.740 9.900 -2.086 1.00 87.06 C +ATOM 102 C PRO A 17 -8.239 9.871 -1.832 1.00 87.02 C +ATOM 103 O PRO A 17 -8.928 8.940 -2.224 1.00 89.08 O +ATOM 104 CB PRO A 17 -6.392 10.692 -3.344 1.00 86.24 C +ATOM 105 CG PRO A 17 -6.413 9.658 -4.412 1.00 83.33 C +ATOM 106 CD PRO A 17 -5.807 8.433 -3.770 1.00 83.54 C +HETATM 107 N HYP A 18 -8.769 10.904 -1.202 1.00 83.35 N +HETATM 108 CA HYP A 18 -10.197 11.012 -0.956 1.00 89.17 C +HETATM 109 C HYP A 18 -10.995 11.047 -2.251 1.00 83.85 C +HETATM 110 O HYP A 18 -10.527 11.580 -3.289 1.00 86.41 O +HETATM 111 CB HYP A 18 -10.275 12.364 -0.260 1.00 83.27 C +HETATM 112 CG HYP A 18 -8.940 12.553 0.401 1.00 82.38 C +HETATM 113 CD HYP A 18 -8.006 11.939 -0.586 1.00 84.38 C +HETATM 114 OD1 HYP A 18 -8.854 11.861 1.619 1.00 88.58 O +ATOM 115 N GLY A 19 -12.157 10.420 -2.245 1.00 89.62 N +ATOM 116 CA GLY A 19 -13.001 10.385 -3.405 1.00 88.96 C +ATOM 117 C GLY A 19 -13.545 11.770 -3.716 1.00 89.42 C +ATOM 118 O GLY A 19 -13.401 12.700 -2.923 1.00 89.43 O +ATOM 119 N PRO A 20 -14.198 11.921 -4.871 1.00 87.11 N +ATOM 120 CA PRO A 20 -14.750 13.211 -5.249 1.00 87.38 C +ATOM 121 C PRO A 20 -15.948 13.574 -4.383 1.00 86.91 C +ATOM 122 O PRO A 20 -16.574 12.708 -3.785 1.00 87.72 O +ATOM 123 CB PRO A 20 -15.142 13.004 -6.712 1.00 85.11 C +ATOM 124 CG PRO A 20 -15.437 11.549 -6.781 1.00 81.78 C +ATOM 125 CD PRO A 20 -14.410 10.905 -5.888 1.00 82.44 C +HETATM 126 N HYP A 21 -16.296 14.862 -4.305 1.00 90.86 N +HETATM 127 CA HYP A 21 -17.460 15.298 -3.585 1.00 88.59 C +HETATM 128 C HYP A 21 -18.752 14.706 -4.098 1.00 87.29 C +HETATM 129 O HYP A 21 -18.879 14.461 -5.306 1.00 91.76 O +HETATM 130 CB HYP A 21 -17.460 16.829 -3.842 1.00 87.51 C +HETATM 131 CG HYP A 21 -16.001 17.168 -4.064 1.00 82.51 C +HETATM 132 CD HYP A 21 -15.486 15.963 -4.800 1.00 86.49 C +HETATM 133 OD1 HYP A 21 -15.303 17.288 -2.834 1.00 89.32 O +ATOM 134 N GLY A 22 -19.680 14.369 -3.229 1.00 91.24 N +ATOM 135 CA GLY A 22 -20.935 13.794 -3.615 1.00 90.78 C +ATOM 136 C GLY A 22 -21.772 14.796 -4.393 1.00 91.00 C +ATOM 137 O GLY A 22 -21.457 15.984 -4.431 1.00 90.00 O +ATOM 138 N PRO A 23 -22.867 14.349 -4.999 1.00 92.23 N +ATOM 139 CA PRO A 23 -23.721 15.256 -5.766 1.00 92.38 C +ATOM 140 C PRO A 23 -24.478 16.188 -4.844 1.00 91.84 C +ATOM 141 O PRO A 23 -24.643 15.915 -3.657 1.00 90.01 O +ATOM 142 CB PRO A 23 -24.658 14.303 -6.512 1.00 89.69 C +ATOM 143 CG PRO A 23 -24.745 13.130 -5.605 1.00 87.31 C +ATOM 144 CD PRO A 23 -23.355 12.974 -5.045 1.00 88.18 C +HETATM 145 N HYP A 24 -25.023 17.310 -5.337 1.00 92.29 N +HETATM 146 CA HYP A 24 -25.734 18.195 -4.454 1.00 89.41 C +HETATM 147 C HYP A 24 -26.982 17.480 -3.986 1.00 89.96 C +HETATM 148 O HYP A 24 -27.125 17.424 -2.806 1.00 90.00 O +HETATM 149 CB HYP A 24 -26.211 19.361 -5.396 1.00 90.94 C +HETATM 150 CG HYP A 24 -25.329 19.330 -6.574 1.00 91.17 C +HETATM 151 CD HYP A 24 -24.906 17.849 -6.683 1.00 91.29 C +HETATM 152 OD1 HYP A 24 -24.188 20.125 -6.334 1.00 87.40 O +HETATM 153 OXT HYP A 24 -27.775 16.985 -4.850 1.00 89.46 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_242.txt b/protein_pdb_242.txt new file mode 100644 index 0000000000000000000000000000000000000000..98a864872055f13e261c75d669120be6c68cdb27 --- /dev/null +++ b/protein_pdb_242.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -2.285 -5.084 7.695 1.00 72.04 N +ATOM 2 CA GLY A 1 -3.015 -3.853 7.450 1.00 75.50 C +ATOM 3 C GLY A 1 -3.480 -3.758 6.020 1.00 77.60 C +ATOM 4 O GLY A 1 -3.220 -4.652 5.219 1.00 74.09 O +ATOM 5 N PRO A 2 -4.176 -2.679 5.671 1.00 72.61 N +ATOM 6 CA PRO A 2 -4.717 -2.526 4.329 1.00 76.17 C +ATOM 7 C PRO A 2 -3.642 -2.191 3.311 1.00 76.31 C +ATOM 8 O PRO A 2 -2.571 -1.718 3.648 1.00 73.64 O +ATOM 9 CB PRO A 2 -5.699 -1.367 4.480 1.00 72.99 C +ATOM 10 CG PRO A 2 -5.120 -0.551 5.582 1.00 68.58 C +ATOM 11 CD PRO A 2 -4.512 -1.543 6.530 1.00 67.85 C +HETATM 12 N HYP A 3 -3.929 -2.441 2.093 1.00 75.77 N +HETATM 13 CA HYP A 3 -3.086 -2.056 0.974 1.00 77.75 C +HETATM 14 C HYP A 3 -2.858 -0.574 0.909 1.00 76.37 C +HETATM 15 O HYP A 3 -3.731 0.232 1.362 1.00 79.14 O +HETATM 16 CB HYP A 3 -3.916 -2.598 -0.221 1.00 75.42 C +HETATM 17 CG HYP A 3 -4.671 -3.772 0.362 1.00 72.05 C +HETATM 18 CD HYP A 3 -5.085 -3.240 1.712 1.00 75.34 C +HETATM 19 OD1 HYP A 3 -3.836 -4.889 0.522 1.00 77.36 O +ATOM 20 N GLY A 4 -1.737 -0.164 0.494 1.00 81.14 N +ATOM 21 CA GLY A 4 -1.440 1.234 0.352 1.00 79.25 C +ATOM 22 C GLY A 4 -2.248 1.873 -0.757 1.00 78.22 C +ATOM 23 O GLY A 4 -3.021 1.216 -1.453 1.00 75.85 O +ATOM 24 N PRO A 5 -2.063 3.167 -0.930 1.00 79.21 N +ATOM 25 CA PRO A 5 -2.816 3.895 -1.943 1.00 77.67 C +ATOM 26 C PRO A 5 -2.337 3.577 -3.351 1.00 76.90 C +ATOM 27 O PRO A 5 -1.232 3.084 -3.546 1.00 74.25 O +ATOM 28 CB PRO A 5 -2.550 5.353 -1.579 1.00 74.58 C +ATOM 29 CG PRO A 5 -1.213 5.321 -0.943 1.00 73.51 C +ATOM 30 CD PRO A 5 -1.157 4.028 -0.182 1.00 75.27 C +HETATM 31 N HYP A 6 -3.158 3.883 -4.317 1.00 75.27 N +HETATM 32 CA HYP A 6 -2.801 3.766 -5.707 1.00 77.45 C +HETATM 33 C HYP A 6 -1.637 4.620 -6.083 1.00 75.49 C +HETATM 34 O HYP A 6 -1.371 5.613 -5.403 1.00 76.56 O +HETATM 35 CB HYP A 6 -4.113 4.163 -6.405 1.00 71.61 C +HETATM 36 CG HYP A 6 -5.200 3.775 -5.422 1.00 70.41 C +HETATM 37 CD HYP A 6 -4.588 4.173 -4.122 1.00 76.35 C +HETATM 38 OD1 HYP A 6 -5.436 2.373 -5.432 1.00 71.27 O +ATOM 39 N GLY A 7 -0.921 4.271 -7.093 1.00 77.31 N +ATOM 40 CA GLY A 7 0.219 5.022 -7.541 1.00 75.56 C +ATOM 41 C GLY A 7 -0.142 6.418 -8.000 1.00 75.90 C +ATOM 42 O GLY A 7 -1.317 6.792 -8.046 1.00 74.04 O +ATOM 43 N PRO A 8 0.871 7.200 -8.360 1.00 77.60 N +ATOM 44 CA PRO A 8 0.648 8.578 -8.765 1.00 77.76 C +ATOM 45 C PRO A 8 -0.008 8.685 -10.128 1.00 78.01 C +ATOM 46 O PRO A 8 0.011 7.752 -10.926 1.00 75.59 O +ATOM 47 CB PRO A 8 2.054 9.167 -8.774 1.00 74.77 C +ATOM 48 CG PRO A 8 2.919 8.005 -9.081 1.00 74.54 C +ATOM 49 CD PRO A 8 2.272 6.828 -8.398 1.00 75.38 C +HETATM 50 N HYP A 9 -0.554 9.850 -10.384 1.00 76.28 N +HETATM 51 CA HYP A 9 -1.115 10.175 -11.653 1.00 78.29 C +HETATM 52 C HYP A 9 -0.201 9.981 -12.764 1.00 78.59 C +HETATM 53 O HYP A 9 1.002 10.030 -12.559 1.00 78.95 O +HETATM 54 CB HYP A 9 -1.739 11.486 -11.556 1.00 76.97 C +HETATM 55 CG HYP A 9 -2.020 11.622 -10.090 1.00 74.46 C +HETATM 56 CD HYP A 9 -0.884 10.876 -9.451 1.00 77.91 C +HETATM 57 OD1 HYP A 9 -3.229 10.977 -9.739 1.00 73.86 O +ATOM 58 N GLY A 10 -0.601 9.898 -13.960 1.00 78.98 N +ATOM 59 CA GLY A 10 0.205 9.784 -15.149 1.00 77.95 C +ATOM 60 C GLY A 10 0.524 8.351 -15.500 1.00 76.74 C +ATOM 61 O GLY A 10 0.609 8.011 -16.683 1.00 74.59 O +ATOM 62 N VAL A 11 0.696 7.520 -14.543 1.00 74.96 N +ATOM 63 CA VAL A 11 0.952 6.098 -14.726 1.00 75.08 C +ATOM 64 C VAL A 11 0.184 5.390 -13.624 1.00 74.04 C +ATOM 65 O VAL A 11 0.524 5.516 -12.459 1.00 71.63 O +ATOM 66 CB VAL A 11 2.448 5.759 -14.615 1.00 71.37 C +ATOM 67 CG1 VAL A 11 2.657 4.263 -14.788 1.00 66.57 C +ATOM 68 CG2 VAL A 11 3.265 6.526 -15.652 1.00 68.74 C +HETATM 69 N HYP A 12 -0.854 4.563 -14.014 1.00 75.47 N +HETATM 70 CA HYP A 12 -1.573 3.999 -12.927 1.00 74.48 C +HETATM 71 C HYP A 12 -0.715 3.052 -12.137 1.00 78.34 C +HETATM 72 O HYP A 12 -0.257 2.016 -12.697 1.00 76.59 O +HETATM 73 CB HYP A 12 -2.793 3.281 -13.495 1.00 72.71 C +HETATM 74 CG HYP A 12 -2.967 3.960 -14.825 1.00 70.20 C +HETATM 75 CD HYP A 12 -1.566 4.231 -15.276 1.00 76.38 C +HETATM 76 OD1 HYP A 12 -3.663 5.179 -14.699 1.00 72.35 O +ATOM 77 N GLY A 13 -0.395 3.420 -10.962 1.00 79.92 N +ATOM 78 CA GLY A 13 0.416 2.571 -10.134 1.00 78.57 C +ATOM 79 C GLY A 13 -0.425 1.502 -9.465 1.00 79.81 C +ATOM 80 O GLY A 13 -1.645 1.624 -9.362 1.00 78.21 O +ATOM 81 N PRO A 14 0.228 0.466 -9.004 1.00 75.43 N +ATOM 82 CA PRO A 14 -0.480 -0.572 -8.276 1.00 75.07 C +ATOM 83 C PRO A 14 -0.808 -0.093 -6.873 1.00 75.52 C +ATOM 84 O PRO A 14 -0.239 0.877 -6.383 1.00 72.69 O +ATOM 85 CB PRO A 14 0.517 -1.722 -8.244 1.00 72.01 C +ATOM 86 CG PRO A 14 1.837 -1.032 -8.215 1.00 70.02 C +ATOM 87 CD PRO A 14 1.668 0.188 -9.078 1.00 69.05 C +HETATM 88 N HYP A 15 -1.700 -0.779 -6.255 1.00 75.28 N +HETATM 89 CA HYP A 15 -1.932 -0.516 -4.862 1.00 78.55 C +HETATM 90 C HYP A 15 -0.664 -0.718 -4.088 1.00 81.15 C +HETATM 91 O HYP A 15 0.175 -1.555 -4.497 1.00 76.93 O +HETATM 92 CB HYP A 15 -3.058 -1.501 -4.525 1.00 76.59 C +HETATM 93 CG HYP A 15 -3.806 -1.623 -5.859 1.00 75.33 C +HETATM 94 CD HYP A 15 -2.666 -1.698 -6.849 1.00 78.23 C +HETATM 95 OD1 HYP A 15 -4.590 -0.484 -6.105 1.00 75.18 O +ATOM 96 N GLY A 16 -0.483 0.039 -3.090 1.00 76.84 N +ATOM 97 CA GLY A 16 0.677 -0.113 -2.264 1.00 75.19 C +ATOM 98 C GLY A 16 0.678 -1.444 -1.536 1.00 76.53 C +ATOM 99 O GLY A 16 -0.290 -2.202 -1.590 1.00 75.81 O +ATOM 100 N PRO A 17 1.772 -1.719 -0.868 1.00 72.62 N +ATOM 101 CA PRO A 17 1.863 -2.967 -0.132 1.00 73.86 C +ATOM 102 C PRO A 17 0.942 -2.964 1.071 1.00 73.42 C +ATOM 103 O PRO A 17 0.520 -1.919 1.546 1.00 70.98 O +ATOM 104 CB PRO A 17 3.324 -3.026 0.285 1.00 71.50 C +ATOM 105 CG PRO A 17 3.734 -1.603 0.352 1.00 70.29 C +ATOM 106 CD PRO A 17 2.970 -0.905 -0.727 1.00 69.53 C +HETATM 107 N HYP A 18 0.651 -4.120 1.565 1.00 73.75 N +HETATM 108 CA HYP A 18 -0.121 -4.224 2.752 1.00 77.07 C +HETATM 109 C HYP A 18 0.511 -3.484 3.884 1.00 73.95 C +HETATM 110 O HYP A 18 1.743 -3.372 3.956 1.00 77.61 O +HETATM 111 CB HYP A 18 -0.180 -5.742 2.974 1.00 73.93 C +HETATM 112 CG HYP A 18 -0.065 -6.335 1.590 1.00 73.67 C +HETATM 113 CD HYP A 18 0.934 -5.419 0.949 1.00 78.97 C +HETATM 114 OD1 HYP A 18 -1.293 -6.246 0.884 1.00 77.02 O +ATOM 115 N GLY A 19 -0.292 -2.900 4.714 1.00 77.92 N +ATOM 116 CA GLY A 19 0.202 -2.245 5.892 1.00 76.06 C +ATOM 117 C GLY A 19 0.822 -3.240 6.850 1.00 76.42 C +ATOM 118 O GLY A 19 0.792 -4.451 6.622 1.00 75.44 O +ATOM 119 N PRO A 20 1.382 -2.722 7.925 1.00 72.91 N +ATOM 120 CA PRO A 20 2.020 -3.599 8.891 1.00 73.78 C +ATOM 121 C PRO A 20 1.008 -4.464 9.614 1.00 72.81 C +ATOM 122 O PRO A 20 -0.173 -4.138 9.676 1.00 71.65 O +ATOM 123 CB PRO A 20 2.712 -2.631 9.844 1.00 71.19 C +ATOM 124 CG PRO A 20 1.910 -1.383 9.739 1.00 68.74 C +ATOM 125 CD PRO A 20 1.435 -1.324 8.320 1.00 67.99 C +HETATM 126 N HYP A 21 1.466 -5.542 10.179 1.00 78.16 N +HETATM 127 CA HYP A 21 0.616 -6.399 10.930 1.00 77.79 C +HETATM 128 C HYP A 21 0.029 -5.676 12.137 1.00 74.39 C +HETATM 129 O HYP A 21 0.652 -4.744 12.673 1.00 79.68 O +HETATM 130 CB HYP A 21 1.582 -7.496 11.396 1.00 76.72 C +HETATM 131 CG HYP A 21 2.654 -7.531 10.333 1.00 74.47 C +HETATM 132 CD HYP A 21 2.812 -6.075 9.971 1.00 80.06 C +HETATM 133 OD1 HYP A 21 2.213 -8.236 9.181 1.00 78.36 O +ATOM 134 N GLY A 22 -1.190 -5.973 12.461 1.00 75.44 N +ATOM 135 CA GLY A 22 -1.808 -5.411 13.631 1.00 73.28 C +ATOM 136 C GLY A 22 -1.143 -5.906 14.908 1.00 72.40 C +ATOM 137 O GLY A 22 -0.231 -6.735 14.873 1.00 71.13 O +ATOM 138 N PRO A 23 -1.595 -5.398 16.028 1.00 74.93 N +ATOM 139 CA PRO A 23 -1.039 -5.833 17.305 1.00 78.28 C +ATOM 140 C PRO A 23 -1.317 -7.299 17.550 1.00 77.04 C +ATOM 141 O PRO A 23 -2.309 -7.837 17.070 1.00 73.94 O +ATOM 142 CB PRO A 23 -1.768 -4.974 18.334 1.00 72.97 C +ATOM 143 CG PRO A 23 -2.380 -3.877 17.562 1.00 67.89 C +ATOM 144 CD PRO A 23 -2.649 -4.410 16.203 1.00 70.04 C +HETATM 145 N HYP A 24 -0.575 -7.949 18.336 1.00 82.39 N +HETATM 146 CA HYP A 24 -0.826 -9.329 18.639 1.00 77.31 C +HETATM 147 C HYP A 24 -2.173 -9.498 19.301 1.00 71.66 C +HETATM 148 O HYP A 24 -2.676 -8.479 19.791 1.00 76.87 O +HETATM 149 CB HYP A 24 0.287 -9.670 19.640 1.00 74.73 C +HETATM 150 CG HYP A 24 1.364 -8.665 19.402 1.00 75.80 C +HETATM 151 CD HYP A 24 0.599 -7.412 18.995 1.00 79.87 C +HETATM 152 OD1 HYP A 24 2.175 -9.088 18.322 1.00 78.18 O +HETATM 153 OXT HYP A 24 -2.683 -10.647 19.371 1.00 73.95 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_243.txt b/protein_pdb_243.txt new file mode 100644 index 0000000000000000000000000000000000000000..da041bbff86b2b6a1e64db73d49a9fa029568873 --- /dev/null +++ b/protein_pdb_243.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 6.945 7.711 10.883 1.00 74.40 N +ATOM 2 CA GLY A 1 6.750 8.329 9.582 1.00 78.42 C +ATOM 3 C GLY A 1 5.384 8.020 9.030 1.00 78.80 C +ATOM 4 O GLY A 1 4.585 7.339 9.675 1.00 77.83 O +ATOM 5 N PRO A 2 5.103 8.504 7.852 1.00 76.81 N +ATOM 6 CA PRO A 2 3.792 8.277 7.261 1.00 80.58 C +ATOM 7 C PRO A 2 3.613 6.832 6.846 1.00 80.54 C +ATOM 8 O PRO A 2 4.571 6.075 6.726 1.00 80.01 O +ATOM 9 CB PRO A 2 3.781 9.205 6.047 1.00 76.80 C +ATOM 10 CG PRO A 2 5.207 9.327 5.672 1.00 71.55 C +ATOM 11 CD PRO A 2 5.980 9.268 6.961 1.00 72.79 C +HETATM 12 N HYP A 3 2.422 6.506 6.659 1.00 76.95 N +HETATM 13 CA HYP A 3 2.100 5.187 6.138 1.00 79.67 C +HETATM 14 C HYP A 3 2.819 4.910 4.876 1.00 79.97 C +HETATM 15 O HYP A 3 3.092 5.834 4.042 1.00 83.79 O +HETATM 16 CB HYP A 3 0.566 5.346 5.872 1.00 80.33 C +HETATM 17 CG HYP A 3 0.112 6.390 6.865 1.00 75.01 C +HETATM 18 CD HYP A 3 1.289 7.391 6.850 1.00 78.76 C +HETATM 19 OD1 HYP A 3 -0.007 5.837 8.131 1.00 80.08 O +ATOM 20 N GLY A 4 3.222 3.671 4.715 1.00 86.31 N +ATOM 21 CA GLY A 4 3.836 3.264 3.486 1.00 84.86 C +ATOM 22 C GLY A 4 2.845 3.320 2.340 1.00 84.12 C +ATOM 23 O GLY A 4 1.652 3.528 2.531 1.00 84.11 O +ATOM 24 N PRO A 5 3.358 3.129 1.135 1.00 85.71 N +ATOM 25 CA PRO A 5 2.483 3.150 -0.027 1.00 85.36 C +ATOM 26 C PRO A 5 1.558 1.952 -0.033 1.00 84.93 C +ATOM 27 O PRO A 5 1.806 0.955 0.633 1.00 83.04 O +ATOM 28 CB PRO A 5 3.452 3.121 -1.206 1.00 82.16 C +ATOM 29 CG PRO A 5 4.654 2.436 -0.665 1.00 79.70 C +ATOM 30 CD PRO A 5 4.738 2.839 0.775 1.00 82.08 C +HETATM 31 N HYP A 6 0.502 2.078 -0.783 1.00 82.79 N +HETATM 32 CA HYP A 6 -0.385 0.960 -0.960 1.00 86.27 C +HETATM 33 C HYP A 6 0.329 -0.230 -1.456 1.00 85.78 C +HETATM 34 O HYP A 6 1.319 -0.111 -2.228 1.00 85.55 O +HETATM 35 CB HYP A 6 -1.389 1.525 -1.986 1.00 82.69 C +HETATM 36 CG HYP A 6 -1.363 3.022 -1.748 1.00 82.31 C +HETATM 37 CD HYP A 6 0.099 3.287 -1.476 1.00 85.05 C +HETATM 38 OD1 HYP A 6 -2.143 3.354 -0.623 1.00 83.20 O +ATOM 39 N GLY A 7 -0.060 -1.380 -0.973 1.00 84.43 N +ATOM 40 CA GLY A 7 0.502 -2.611 -1.447 1.00 81.17 C +ATOM 41 C GLY A 7 0.146 -2.851 -2.898 1.00 81.82 C +ATOM 42 O GLY A 7 -0.612 -2.103 -3.507 1.00 80.95 O +ATOM 43 N PRO A 8 0.706 -3.904 -3.451 1.00 82.13 N +ATOM 44 CA PRO A 8 0.419 -4.202 -4.844 1.00 81.78 C +ATOM 45 C PRO A 8 -1.026 -4.622 -5.025 1.00 81.52 C +ATOM 46 O PRO A 8 -1.664 -5.122 -4.106 1.00 79.51 O +ATOM 47 CB PRO A 8 1.383 -5.339 -5.172 1.00 78.43 C +ATOM 48 CG PRO A 8 1.665 -5.974 -3.865 1.00 77.62 C +ATOM 49 CD PRO A 8 1.584 -4.871 -2.840 1.00 78.48 C +HETATM 50 N HYP A 9 -1.504 -4.453 -6.213 1.00 78.68 N +HETATM 51 CA HYP A 9 -2.829 -4.830 -6.497 1.00 79.69 C +HETATM 52 C HYP A 9 -2.988 -6.319 -6.412 1.00 77.89 C +HETATM 53 O HYP A 9 -2.064 -7.062 -6.714 1.00 78.45 O +HETATM 54 CB HYP A 9 -2.888 -4.457 -8.025 1.00 77.62 C +HETATM 55 CG HYP A 9 -1.881 -3.370 -8.218 1.00 74.20 C +HETATM 56 CD HYP A 9 -0.787 -3.762 -7.312 1.00 79.85 C +HETATM 57 OD1 HYP A 9 -2.427 -2.136 -7.797 1.00 72.19 O +ATOM 58 N GLY A 10 -4.101 -6.759 -5.876 1.00 79.76 N +ATOM 59 CA GLY A 10 -4.450 -8.143 -6.024 1.00 77.89 C +ATOM 60 C GLY A 10 -4.653 -8.399 -7.498 1.00 78.71 C +ATOM 61 O GLY A 10 -4.866 -7.482 -8.291 1.00 76.57 O +ATOM 62 N TRP A 11 -4.574 -9.638 -7.874 1.00 75.08 N +ATOM 63 CA TRP A 11 -4.713 -9.896 -9.302 1.00 76.49 C +ATOM 64 C TRP A 11 -6.112 -9.520 -9.750 1.00 73.57 C +ATOM 65 O TRP A 11 -7.093 -10.005 -9.202 1.00 71.75 O +ATOM 66 CB TRP A 11 -4.407 -11.354 -9.624 1.00 74.44 C +ATOM 67 CG TRP A 11 -4.378 -11.606 -11.094 1.00 70.10 C +ATOM 68 CD1 TRP A 11 -3.416 -11.208 -11.971 1.00 71.72 C +ATOM 69 CD2 TRP A 11 -5.361 -12.297 -11.878 1.00 73.11 C +ATOM 70 NE1 TRP A 11 -3.732 -11.600 -13.249 1.00 68.05 N +ATOM 71 CE2 TRP A 11 -4.917 -12.272 -13.222 1.00 71.70 C +ATOM 72 CE3 TRP A 11 -6.565 -12.934 -11.567 1.00 67.61 C +ATOM 73 CZ2 TRP A 11 -5.650 -12.869 -14.259 1.00 75.41 C +ATOM 74 CZ3 TRP A 11 -7.289 -13.532 -12.597 1.00 67.42 C +ATOM 75 CH2 TRP A 11 -6.830 -13.498 -13.925 1.00 66.62 C +HETATM 76 N HYP A 12 -6.220 -8.615 -10.736 1.00 74.45 N +HETATM 77 CA HYP A 12 -7.356 -7.879 -10.881 1.00 73.68 C +HETATM 78 C HYP A 12 -7.979 -7.211 -9.775 1.00 78.66 C +HETATM 79 O HYP A 12 -9.148 -6.816 -9.779 1.00 75.18 O +HETATM 80 CB HYP A 12 -7.524 -7.354 -12.218 1.00 70.81 C +HETATM 81 CG HYP A 12 -6.778 -8.435 -13.010 1.00 67.94 C +HETATM 82 CD HYP A 12 -5.772 -8.941 -12.022 1.00 73.64 C +HETATM 83 OD1 HYP A 12 -6.162 -7.940 -14.150 1.00 71.92 O +ATOM 84 N GLY A 13 -7.268 -7.028 -8.694 1.00 81.71 N +ATOM 85 CA GLY A 13 -7.789 -6.494 -7.460 1.00 79.46 C +ATOM 86 C GLY A 13 -7.269 -5.109 -7.159 1.00 79.73 C +ATOM 87 O GLY A 13 -6.385 -4.592 -7.840 1.00 79.25 O +ATOM 88 N PRO A 14 -7.821 -4.507 -6.140 1.00 79.52 N +ATOM 89 CA PRO A 14 -7.431 -3.159 -5.763 1.00 79.05 C +ATOM 90 C PRO A 14 -6.062 -3.142 -5.104 1.00 78.11 C +ATOM 91 O PRO A 14 -5.528 -4.173 -4.707 1.00 76.07 O +ATOM 92 CB PRO A 14 -8.518 -2.749 -4.776 1.00 75.79 C +ATOM 93 CG PRO A 14 -8.915 -4.028 -4.141 1.00 73.25 C +ATOM 94 CD PRO A 14 -8.822 -5.062 -5.228 1.00 73.03 C +HETATM 95 N HYP A 15 -5.556 -1.962 -4.986 1.00 78.55 N +HETATM 96 CA HYP A 15 -4.319 -1.802 -4.266 1.00 81.15 C +HETATM 97 C HYP A 15 -4.412 -2.369 -2.880 1.00 81.15 C +HETATM 98 O HYP A 15 -5.500 -2.365 -2.292 1.00 80.77 O +HETATM 99 CB HYP A 15 -4.233 -0.241 -4.227 1.00 78.32 C +HETATM 100 CG HYP A 15 -4.982 0.206 -5.456 1.00 76.44 C +HETATM 101 CD HYP A 15 -6.138 -0.756 -5.518 1.00 81.85 C +HETATM 102 OD1 HYP A 15 -4.197 0.096 -6.599 1.00 75.78 O +ATOM 103 N GLY A 16 -3.318 -2.886 -2.427 1.00 81.52 N +ATOM 104 CA GLY A 16 -3.280 -3.365 -1.075 1.00 79.79 C +ATOM 105 C GLY A 16 -3.376 -2.227 -0.083 1.00 81.52 C +ATOM 106 O GLY A 16 -3.391 -1.054 -0.454 1.00 81.71 O +ATOM 107 N PRO A 17 -3.444 -2.579 1.179 1.00 83.74 N +ATOM 108 CA PRO A 17 -3.517 -1.548 2.204 1.00 84.35 C +ATOM 109 C PRO A 17 -2.205 -0.797 2.318 1.00 85.32 C +ATOM 110 O PRO A 17 -1.161 -1.269 1.885 1.00 83.21 O +ATOM 111 CB PRO A 17 -3.820 -2.339 3.473 1.00 81.62 C +ATOM 112 CG PRO A 17 -3.265 -3.683 3.206 1.00 80.55 C +ATOM 113 CD PRO A 17 -3.432 -3.921 1.738 1.00 81.20 C +HETATM 114 N HYP A 18 -2.258 0.380 2.902 1.00 84.75 N +HETATM 115 CA HYP A 18 -1.094 1.121 3.148 1.00 87.99 C +HETATM 116 C HYP A 18 -0.097 0.328 3.931 1.00 89.27 C +HETATM 117 O HYP A 18 -0.480 -0.506 4.773 1.00 87.81 O +HETATM 118 CB HYP A 18 -1.579 2.328 3.877 1.00 85.41 C +HETATM 119 CG HYP A 18 -2.998 2.499 3.375 1.00 83.03 C +HETATM 120 CD HYP A 18 -3.454 1.079 3.271 1.00 86.30 C +HETATM 121 OD1 HYP A 18 -3.001 3.103 2.108 1.00 83.54 O +ATOM 122 N GLY A 19 1.130 0.495 3.599 1.00 88.63 N +ATOM 123 CA GLY A 19 2.179 -0.152 4.325 1.00 87.98 C +ATOM 124 C GLY A 19 2.277 0.376 5.741 1.00 88.81 C +ATOM 125 O GLY A 19 1.563 1.295 6.137 1.00 88.90 O +ATOM 126 N PRO A 20 3.172 -0.213 6.505 1.00 86.60 N +ATOM 127 CA PRO A 20 3.350 0.241 7.874 1.00 85.85 C +ATOM 128 C PRO A 20 3.949 1.634 7.915 1.00 85.94 C +ATOM 129 O PRO A 20 4.538 2.109 6.948 1.00 84.61 O +ATOM 130 CB PRO A 20 4.295 -0.799 8.466 1.00 82.49 C +ATOM 131 CG PRO A 20 5.008 -1.369 7.309 1.00 80.49 C +ATOM 132 CD PRO A 20 4.070 -1.300 6.145 1.00 82.82 C +HETATM 133 N HYP A 21 3.787 2.293 9.020 1.00 85.88 N +HETATM 134 CA HYP A 21 4.385 3.555 9.211 1.00 86.77 C +HETATM 135 C HYP A 21 5.879 3.554 9.003 1.00 85.37 C +HETATM 136 O HYP A 21 6.508 2.546 9.325 1.00 86.25 O +HETATM 137 CB HYP A 21 4.012 3.929 10.602 1.00 84.99 C +HETATM 138 CG HYP A 21 2.693 3.209 10.806 1.00 83.61 C +HETATM 139 CD HYP A 21 2.905 1.906 10.095 1.00 87.09 C +HETATM 140 OD1 HYP A 21 1.629 3.902 10.174 1.00 84.18 O +ATOM 141 N GLY A 22 6.358 4.540 8.337 1.00 83.63 N +ATOM 142 CA GLY A 22 7.770 4.653 8.115 1.00 81.26 C +ATOM 143 C GLY A 22 8.517 4.888 9.418 1.00 81.03 C +ATOM 144 O GLY A 22 7.919 5.037 10.484 1.00 79.86 O +ATOM 145 N PRO A 23 9.839 4.938 9.338 1.00 83.62 N +ATOM 146 CA PRO A 23 10.628 5.194 10.529 1.00 84.56 C +ATOM 147 C PRO A 23 10.438 6.624 10.990 1.00 83.83 C +ATOM 148 O PRO A 23 9.989 7.483 10.241 1.00 80.36 O +ATOM 149 CB PRO A 23 12.054 4.936 10.066 1.00 79.59 C +ATOM 150 CG PRO A 23 12.023 5.218 8.606 1.00 76.86 C +ATOM 151 CD PRO A 23 10.656 4.805 8.137 1.00 79.45 C +HETATM 152 N HYP A 24 10.796 6.920 12.168 1.00 84.15 N +HETATM 153 CA HYP A 24 10.609 8.237 12.613 1.00 82.13 C +HETATM 154 C HYP A 24 10.946 9.285 11.637 1.00 81.77 C +HETATM 155 O HYP A 24 12.040 9.169 11.054 1.00 81.58 O +HETATM 156 CB HYP A 24 11.394 8.366 13.896 1.00 84.56 C +HETATM 157 CG HYP A 24 11.662 6.955 14.309 1.00 81.29 C +HETATM 158 CD HYP A 24 11.675 6.156 13.011 1.00 84.91 C +HETATM 159 OD1 HYP A 24 10.598 6.461 15.105 1.00 82.90 O +HETATM 160 OXT HYP A 24 10.134 10.225 11.493 1.00 77.57 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_244.txt b/protein_pdb_244.txt new file mode 100644 index 0000000000000000000000000000000000000000..fa87bd2614f1aa349f6c7d81073654ee00133186 --- /dev/null +++ b/protein_pdb_244.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -22.280 19.818 -17.154 1.00 83.60 N +ATOM 2 CA GLY A 1 -21.458 18.986 -18.014 1.00 87.12 C +ATOM 3 C GLY A 1 -21.266 17.602 -17.439 1.00 87.94 C +ATOM 4 O GLY A 1 -21.688 17.332 -16.314 1.00 85.49 O +ATOM 5 N PRO A 2 -20.642 16.706 -18.172 1.00 84.12 N +ATOM 6 CA PRO A 2 -20.422 15.350 -17.688 1.00 87.68 C +ATOM 7 C PRO A 2 -19.404 15.320 -16.552 1.00 87.70 C +ATOM 8 O PRO A 2 -18.604 16.231 -16.391 1.00 85.82 O +ATOM 9 CB PRO A 2 -19.899 14.604 -18.921 1.00 85.28 C +ATOM 10 CG PRO A 2 -19.230 15.672 -19.713 1.00 83.27 C +ATOM 11 CD PRO A 2 -20.078 16.907 -19.507 1.00 84.32 C +HETATM 12 N HYP A 3 -19.499 14.359 -15.783 1.00 88.07 N +HETATM 13 CA HYP A 3 -18.483 14.088 -14.713 1.00 86.66 C +HETATM 14 C HYP A 3 -17.114 14.003 -15.285 1.00 85.68 C +HETATM 15 O HYP A 3 -16.896 13.542 -16.413 1.00 87.16 O +HETATM 16 CB HYP A 3 -18.961 12.737 -14.150 1.00 83.65 C +HETATM 17 CG HYP A 3 -20.451 12.686 -14.430 1.00 80.31 C +HETATM 18 CD HYP A 3 -20.549 13.346 -15.815 1.00 83.46 C +HETATM 19 OD1 HYP A 3 -21.195 13.452 -13.511 1.00 85.77 O +ATOM 20 N GLY A 4 -16.133 14.462 -14.508 1.00 91.42 N +ATOM 21 CA GLY A 4 -14.751 14.412 -14.913 1.00 90.77 C +ATOM 22 C GLY A 4 -14.226 12.990 -14.935 1.00 90.74 C +ATOM 23 O GLY A 4 -14.902 12.053 -14.500 1.00 89.91 O +ATOM 24 N PRO A 5 -13.011 12.809 -15.442 1.00 90.84 N +ATOM 25 CA PRO A 5 -12.427 11.465 -15.502 1.00 91.09 C +ATOM 26 C PRO A 5 -12.079 10.955 -14.108 1.00 90.60 C +ATOM 27 O PRO A 5 -11.896 11.729 -13.174 1.00 88.95 O +ATOM 28 CB PRO A 5 -11.180 11.658 -16.359 1.00 88.79 C +ATOM 29 CG PRO A 5 -10.803 13.070 -16.099 1.00 87.91 C +ATOM 30 CD PRO A 5 -12.107 13.817 -15.962 1.00 89.62 C +HETATM 31 N HYP A 6 -12.016 9.664 -13.995 1.00 89.18 N +HETATM 32 CA HYP A 6 -11.534 9.058 -12.726 1.00 90.46 C +HETATM 33 C HYP A 6 -10.162 9.490 -12.385 1.00 90.05 C +HETATM 34 O HYP A 6 -9.331 9.780 -13.257 1.00 88.17 O +HETATM 35 CB HYP A 6 -11.557 7.553 -13.085 1.00 87.30 C +HETATM 36 CG HYP A 6 -12.592 7.409 -14.160 1.00 83.72 C +HETATM 37 CD HYP A 6 -12.387 8.666 -14.958 1.00 87.67 C +HETATM 38 OD1 HYP A 6 -13.889 7.357 -13.607 1.00 84.17 O +ATOM 39 N GLY A 7 -9.883 9.592 -11.078 1.00 90.82 N +ATOM 40 CA GLY A 7 -8.574 9.964 -10.604 1.00 89.96 C +ATOM 41 C GLY A 7 -7.559 8.866 -10.856 1.00 90.43 C +ATOM 42 O GLY A 7 -7.897 7.772 -11.313 1.00 89.51 O +ATOM 43 N PRO A 8 -6.295 9.144 -10.554 1.00 87.24 N +ATOM 44 CA PRO A 8 -5.248 8.151 -10.756 1.00 86.77 C +ATOM 45 C PRO A 8 -5.367 7.004 -9.770 1.00 86.53 C +ATOM 46 O PRO A 8 -5.996 7.130 -8.722 1.00 84.78 O +ATOM 47 CB PRO A 8 -3.963 8.941 -10.543 1.00 84.72 C +ATOM 48 CG PRO A 8 -4.375 10.012 -9.600 1.00 85.52 C +ATOM 49 CD PRO A 8 -5.779 10.382 -10.005 1.00 86.82 C +HETATM 50 N HYP A 9 -4.759 5.902 -10.091 1.00 86.27 N +HETATM 51 CA HYP A 9 -4.705 4.757 -9.196 1.00 86.39 C +HETATM 52 C HYP A 9 -4.042 5.075 -7.931 1.00 85.35 C +HETATM 53 O HYP A 9 -3.138 5.920 -7.861 1.00 83.63 O +HETATM 54 CB HYP A 9 -3.861 3.749 -10.044 1.00 82.73 C +HETATM 55 CG HYP A 9 -4.192 4.110 -11.459 1.00 83.37 C +HETATM 56 CD HYP A 9 -4.235 5.575 -11.388 1.00 84.94 C +HETATM 57 OD1 HYP A 9 -5.466 3.587 -11.840 1.00 83.78 O +ATOM 58 N GLY A 10 -4.435 4.415 -6.825 1.00 88.14 N +ATOM 59 CA GLY A 10 -3.843 4.616 -5.525 1.00 85.98 C +ATOM 60 C GLY A 10 -2.401 4.156 -5.478 1.00 85.80 C +ATOM 61 O GLY A 10 -1.877 3.551 -6.414 1.00 83.59 O +ATOM 62 N ASN A 11 -1.755 4.453 -4.361 1.00 83.12 N +ATOM 63 CA ASN A 11 -0.370 4.050 -4.168 1.00 83.64 C +ATOM 64 C ASN A 11 -0.253 2.538 -4.051 1.00 82.72 C +ATOM 65 O ASN A 11 -1.199 1.851 -3.657 1.00 79.59 O +ATOM 66 CB ASN A 11 0.202 4.704 -2.914 1.00 79.81 C +ATOM 67 CG ASN A 11 0.246 6.207 -3.007 1.00 75.72 C +ATOM 68 OD1 ASN A 11 0.498 6.767 -4.075 1.00 72.20 O +ATOM 69 ND2 ASN A 11 0.005 6.880 -1.897 1.00 70.33 N +ATOM 70 N ALA A 12 0.932 2.034 -4.357 1.00 80.44 N +ATOM 71 CA ALA A 12 1.190 0.614 -4.183 1.00 80.92 C +ATOM 72 C ALA A 12 1.081 0.258 -2.709 1.00 81.54 C +ATOM 73 O ALA A 12 1.343 1.091 -1.836 1.00 76.82 O +ATOM 74 CB ALA A 12 2.583 0.263 -4.705 1.00 77.75 C +ATOM 75 N GLY A 13 0.671 -0.967 -2.457 1.00 85.79 N +ATOM 76 CA GLY A 13 0.563 -1.430 -1.088 1.00 84.36 C +ATOM 77 C GLY A 13 1.913 -1.563 -0.417 1.00 85.23 C +ATOM 78 O GLY A 13 2.958 -1.424 -1.058 1.00 85.70 O +ATOM 79 N PRO A 14 1.918 -1.835 0.891 1.00 80.62 N +ATOM 80 CA PRO A 14 3.174 -1.965 1.624 1.00 82.35 C +ATOM 81 C PRO A 14 3.919 -3.225 1.226 1.00 81.84 C +ATOM 82 O PRO A 14 3.345 -4.163 0.697 1.00 81.88 O +ATOM 83 CB PRO A 14 2.726 -2.013 3.082 1.00 81.07 C +ATOM 84 CG PRO A 14 1.356 -2.597 3.015 1.00 80.63 C +ATOM 85 CD PRO A 14 0.757 -2.022 1.758 1.00 80.48 C +HETATM 86 N HYP A 15 5.206 -3.249 1.479 1.00 79.27 N +HETATM 87 CA HYP A 15 6.026 -4.429 1.300 1.00 80.28 C +HETATM 88 C HYP A 15 5.528 -5.628 2.059 1.00 78.87 C +HETATM 89 O HYP A 15 4.870 -5.466 3.107 1.00 79.00 O +HETATM 90 CB HYP A 15 7.385 -3.931 1.830 1.00 77.01 C +HETATM 91 CG HYP A 15 7.355 -2.446 1.555 1.00 73.73 C +HETATM 92 CD HYP A 15 5.953 -2.095 1.856 1.00 79.36 C +HETATM 93 OD1 HYP A 15 7.647 -2.173 0.207 1.00 83.05 O +ATOM 94 N GLY A 16 5.731 -6.796 1.556 1.00 90.81 N +ATOM 95 CA GLY A 16 5.342 -7.999 2.238 1.00 89.16 C +ATOM 96 C GLY A 16 6.162 -8.200 3.505 1.00 89.92 C +ATOM 97 O GLY A 16 7.113 -7.467 3.771 1.00 89.79 O +ATOM 98 N PRO A 17 5.799 -9.226 4.290 1.00 84.90 N +ATOM 99 CA PRO A 17 6.526 -9.487 5.525 1.00 85.08 C +ATOM 100 C PRO A 17 7.927 -10.009 5.242 1.00 84.93 C +ATOM 101 O PRO A 17 8.201 -10.547 4.179 1.00 84.26 O +ATOM 102 CB PRO A 17 5.670 -10.537 6.228 1.00 82.99 C +ATOM 103 CG PRO A 17 4.987 -11.236 5.100 1.00 81.53 C +ATOM 104 CD PRO A 17 4.700 -10.163 4.086 1.00 82.06 C +HETATM 105 N HYP A 18 8.810 -9.861 6.180 1.00 81.06 N +HETATM 106 CA HYP A 18 10.155 -10.410 6.106 1.00 87.29 C +HETATM 107 C HYP A 18 10.168 -11.910 5.938 1.00 87.16 C +HETATM 108 O HYP A 18 9.249 -12.621 6.414 1.00 86.52 O +HETATM 109 CB HYP A 18 10.734 -9.993 7.462 1.00 84.79 C +HETATM 110 CG HYP A 18 9.962 -8.773 7.874 1.00 80.91 C +HETATM 111 CD HYP A 18 8.596 -9.058 7.354 1.00 83.34 C +HETATM 112 OD1 HYP A 18 10.461 -7.616 7.237 1.00 88.59 O +ATOM 113 N GLY A 19 11.142 -12.413 5.239 1.00 90.71 N +ATOM 114 CA GLY A 19 11.301 -13.834 5.076 1.00 89.07 C +ATOM 115 C GLY A 19 11.669 -14.490 6.396 1.00 89.33 C +ATOM 116 O GLY A 19 11.910 -13.819 7.397 1.00 89.42 O +ATOM 117 N PRO A 20 11.729 -15.830 6.401 1.00 84.31 N +ATOM 118 CA PRO A 20 12.064 -16.546 7.629 1.00 84.28 C +ATOM 119 C PRO A 20 13.524 -16.336 8.007 1.00 83.63 C +ATOM 120 O PRO A 20 14.356 -15.997 7.179 1.00 82.68 O +ATOM 121 CB PRO A 20 11.772 -18.002 7.274 1.00 81.08 C +ATOM 122 CG PRO A 20 11.968 -18.046 5.800 1.00 79.08 C +ATOM 123 CD PRO A 20 11.469 -16.719 5.286 1.00 80.94 C +HETATM 124 N HYP A 21 13.867 -16.571 9.291 1.00 88.88 N +HETATM 125 CA HYP A 21 15.213 -16.473 9.749 1.00 88.85 C +HETATM 126 C HYP A 21 16.149 -17.472 9.084 1.00 88.59 C +HETATM 127 O HYP A 21 15.697 -18.578 8.694 1.00 89.77 O +HETATM 128 CB HYP A 21 15.092 -16.829 11.260 1.00 89.02 C +HETATM 129 CG HYP A 21 13.682 -16.461 11.631 1.00 85.49 C +HETATM 130 CD HYP A 21 12.911 -16.792 10.373 1.00 86.09 C +HETATM 131 OD1 HYP A 21 13.580 -15.065 11.867 1.00 88.28 O +ATOM 132 N GLY A 22 17.372 -17.117 8.862 1.00 86.24 N +ATOM 133 CA GLY A 22 18.351 -18.008 8.303 1.00 84.36 C +ATOM 134 C GLY A 22 18.630 -19.163 9.252 1.00 84.34 C +ATOM 135 O GLY A 22 18.154 -19.183 10.383 1.00 83.64 O +ATOM 136 N PRO A 23 19.442 -20.144 8.822 1.00 84.04 N +ATOM 137 CA PRO A 23 19.742 -21.290 9.669 1.00 84.76 C +ATOM 138 C PRO A 23 20.612 -20.886 10.848 1.00 83.84 C +ATOM 139 O PRO A 23 21.364 -19.914 10.782 1.00 80.75 O +ATOM 140 CB PRO A 23 20.465 -22.251 8.732 1.00 80.26 C +ATOM 141 CG PRO A 23 21.080 -21.355 7.721 1.00 76.73 C +ATOM 142 CD PRO A 23 20.095 -20.234 7.520 1.00 78.59 C +HETATM 143 N HYP A 24 20.593 -21.660 11.967 1.00 85.36 N +HETATM 144 CA HYP A 24 21.453 -21.242 13.084 1.00 85.83 C +HETATM 145 C HYP A 24 22.875 -21.619 12.643 1.00 85.96 C +HETATM 146 O HYP A 24 23.649 -20.699 12.639 1.00 88.15 O +HETATM 147 CB HYP A 24 21.089 -22.293 14.224 1.00 87.14 C +HETATM 148 CG HYP A 24 19.762 -22.861 13.877 1.00 85.06 C +HETATM 149 CD HYP A 24 19.693 -22.748 12.337 1.00 86.93 C +HETATM 150 OD1 HYP A 24 18.760 -22.029 14.426 1.00 81.43 O +HETATM 151 OXT HYP A 24 23.158 -22.805 12.298 1.00 80.24 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_245.txt b/protein_pdb_245.txt new file mode 100644 index 0000000000000000000000000000000000000000..3cb9e2d16a0cd2755917957a0dc9c0fd39bb54b0 --- /dev/null +++ b/protein_pdb_245.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 6.669 12.542 4.426 1.00 87.74 N +ATOM 2 CA GLY A 1 7.050 11.237 4.934 1.00 88.00 C +ATOM 3 C GLY A 1 7.257 10.259 3.814 1.00 88.90 C +ATOM 4 O GLY A 1 7.026 10.580 2.650 1.00 86.40 O +ATOM 5 N PRO A 2 7.667 9.045 4.152 1.00 87.71 N +ATOM 6 CA PRO A 2 7.922 8.039 3.134 1.00 88.27 C +ATOM 7 C PRO A 2 6.628 7.509 2.537 1.00 88.71 C +ATOM 8 O PRO A 2 5.547 7.699 3.081 1.00 86.81 O +ATOM 9 CB PRO A 2 8.657 6.947 3.901 1.00 85.95 C +ATOM 10 CG PRO A 2 8.146 7.075 5.285 1.00 81.47 C +ATOM 11 CD PRO A 2 7.934 8.546 5.498 1.00 83.35 C +HETATM 12 N HYP A 3 6.789 6.917 1.442 1.00 88.57 N +HETATM 13 CA HYP A 3 5.647 6.196 0.804 1.00 89.35 C +HETATM 14 C HYP A 3 5.015 5.217 1.767 1.00 88.27 C +HETATM 15 O HYP A 3 5.734 4.623 2.589 1.00 92.16 O +HETATM 16 CB HYP A 3 6.309 5.464 -0.371 1.00 88.90 C +HETATM 17 CG HYP A 3 7.554 6.281 -0.714 1.00 85.62 C +HETATM 18 CD HYP A 3 8.018 6.755 0.702 1.00 88.29 C +HETATM 19 OD1 HYP A 3 7.139 7.389 -1.464 1.00 88.64 O +ATOM 20 N GLY A 4 3.732 5.096 1.672 1.00 91.44 N +ATOM 21 CA GLY A 4 3.044 4.124 2.473 1.00 90.95 C +ATOM 22 C GLY A 4 3.391 2.713 2.043 1.00 91.62 C +ATOM 23 O GLY A 4 3.969 2.491 0.983 1.00 92.02 O +ATOM 24 N PRO A 5 3.041 1.757 2.877 1.00 91.11 N +ATOM 25 CA PRO A 5 3.317 0.369 2.539 1.00 90.67 C +ATOM 26 C PRO A 5 2.402 -0.120 1.431 1.00 90.60 C +ATOM 27 O PRO A 5 1.386 0.499 1.128 1.00 89.71 O +ATOM 28 CB PRO A 5 3.048 -0.363 3.848 1.00 89.49 C +ATOM 29 CG PRO A 5 2.009 0.470 4.513 1.00 86.61 C +ATOM 30 CD PRO A 5 2.337 1.887 4.150 1.00 88.81 C +HETATM 31 N HYP A 6 2.807 -1.232 0.821 1.00 90.37 N +HETATM 32 CA HYP A 6 1.941 -1.861 -0.146 1.00 93.35 C +HETATM 33 C HYP A 6 0.581 -2.185 0.427 1.00 92.59 C +HETATM 34 O HYP A 6 0.485 -2.494 1.642 1.00 92.30 O +HETATM 35 CB HYP A 6 2.721 -3.114 -0.558 1.00 87.86 C +HETATM 36 CG HYP A 6 4.178 -2.755 -0.335 1.00 87.31 C +HETATM 37 CD HYP A 6 4.088 -1.915 0.936 1.00 89.82 C +HETATM 38 OD1 HYP A 6 4.631 -1.960 -1.397 1.00 90.17 O +ATOM 39 N GLY A 7 -0.398 -2.049 -0.351 1.00 92.31 N +ATOM 40 CA GLY A 7 -1.724 -2.409 0.071 1.00 90.96 C +ATOM 41 C GLY A 7 -1.826 -3.894 0.348 1.00 91.30 C +ATOM 42 O GLY A 7 -0.963 -4.674 -0.036 1.00 91.13 O +ATOM 43 N PRO A 8 -2.885 -4.270 1.029 1.00 92.50 N +ATOM 44 CA PRO A 8 -3.058 -5.678 1.341 1.00 91.86 C +ATOM 45 C PRO A 8 -3.406 -6.484 0.101 1.00 91.91 C +ATOM 46 O PRO A 8 -3.869 -5.947 -0.900 1.00 90.63 O +ATOM 47 CB PRO A 8 -4.200 -5.683 2.350 1.00 90.29 C +ATOM 48 CG PRO A 8 -4.976 -4.469 2.015 1.00 89.22 C +ATOM 49 CD PRO A 8 -3.965 -3.450 1.544 1.00 91.13 C +HETATM 50 N HYP A 9 -3.177 -7.810 0.195 1.00 90.68 N +HETATM 51 CA HYP A 9 -3.541 -8.664 -0.860 1.00 92.09 C +HETATM 52 C HYP A 9 -5.037 -8.687 -1.083 1.00 92.19 C +HETATM 53 O HYP A 9 -5.802 -8.583 -0.108 1.00 92.48 O +HETATM 54 CB HYP A 9 -3.127 -10.088 -0.373 1.00 86.43 C +HETATM 55 CG HYP A 9 -2.067 -9.861 0.642 1.00 87.19 C +HETATM 56 CD HYP A 9 -2.466 -8.557 1.293 1.00 90.22 C +HETATM 57 OD1 HYP A 9 -0.846 -9.682 -0.028 1.00 85.86 O +ATOM 58 N GLY A 10 -5.483 -8.742 -2.262 1.00 92.00 N +ATOM 59 CA GLY A 10 -6.881 -8.997 -2.529 1.00 90.25 C +ATOM 60 C GLY A 10 -7.178 -10.473 -2.331 1.00 90.24 C +ATOM 61 O GLY A 10 -6.383 -11.223 -1.761 1.00 88.16 O +ATOM 62 N LYS A 11 -8.332 -10.880 -2.809 1.00 89.44 N +ATOM 63 CA LYS A 11 -8.621 -12.306 -2.766 1.00 90.38 C +ATOM 64 C LYS A 11 -7.578 -13.098 -3.542 1.00 90.14 C +ATOM 65 O LYS A 11 -7.213 -14.209 -3.151 1.00 87.59 O +ATOM 66 CB LYS A 11 -10.020 -12.586 -3.320 1.00 87.65 C +ATOM 67 CG LYS A 11 -11.129 -12.149 -2.396 1.00 85.03 C +ATOM 68 CD LYS A 11 -12.488 -12.514 -2.952 1.00 79.76 C +ATOM 69 CE LYS A 11 -13.613 -12.030 -2.062 1.00 76.45 C +ATOM 70 NZ LYS A 11 -13.620 -12.697 -0.737 1.00 70.13 N +ATOM 71 N CYS A 12 -7.116 -12.523 -4.626 1.00 90.84 N +ATOM 72 CA CYS A 12 -6.040 -13.051 -5.446 1.00 92.80 C +ATOM 73 C CYS A 12 -5.148 -11.892 -5.839 1.00 93.74 C +ATOM 74 O CYS A 12 -5.597 -10.751 -5.887 1.00 89.44 O +ATOM 75 CB CYS A 12 -6.578 -13.721 -6.714 1.00 89.98 C +ATOM 76 SG CYS A 12 -7.588 -15.172 -6.401 1.00 83.04 S +ATOM 77 N GLY A 13 -3.915 -12.200 -6.152 1.00 92.86 N +ATOM 78 CA GLY A 13 -3.027 -11.187 -6.683 1.00 92.50 C +ATOM 79 C GLY A 13 -2.140 -10.555 -5.636 1.00 93.11 C +ATOM 80 O GLY A 13 -2.279 -10.803 -4.435 1.00 92.78 O +ATOM 81 N PRO A 14 -1.211 -9.744 -6.093 1.00 93.63 N +ATOM 82 CA PRO A 14 -0.206 -9.156 -5.228 1.00 93.17 C +ATOM 83 C PRO A 14 -0.755 -8.016 -4.390 1.00 93.32 C +ATOM 84 O PRO A 14 -1.861 -7.532 -4.601 1.00 91.60 O +ATOM 85 CB PRO A 14 0.845 -8.660 -6.212 1.00 92.09 C +ATOM 86 CG PRO A 14 0.055 -8.316 -7.425 1.00 90.74 C +ATOM 87 CD PRO A 14 -1.038 -9.340 -7.489 1.00 91.45 C +HETATM 88 N HYP A 15 0.064 -7.644 -3.466 1.00 92.18 N +HETATM 89 CA HYP A 15 -0.244 -6.474 -2.682 1.00 92.65 C +HETATM 90 C HYP A 15 -0.465 -5.279 -3.552 1.00 92.75 C +HETATM 91 O HYP A 15 0.100 -5.208 -4.671 1.00 93.36 O +HETATM 92 CB HYP A 15 1.012 -6.349 -1.823 1.00 88.57 C +HETATM 93 CG HYP A 15 1.558 -7.767 -1.710 1.00 87.58 C +HETATM 94 CD HYP A 15 1.282 -8.341 -3.094 1.00 90.82 C +HETATM 95 OD1 HYP A 15 0.860 -8.468 -0.719 1.00 90.20 O +ATOM 96 N GLY A 16 -1.259 -4.372 -3.082 1.00 94.54 N +ATOM 97 CA GLY A 16 -1.467 -3.134 -3.783 1.00 93.79 C +ATOM 98 C GLY A 16 -0.211 -2.290 -3.813 1.00 94.03 C +ATOM 99 O GLY A 16 0.795 -2.617 -3.180 1.00 93.37 O +ATOM 100 N PRO A 17 -0.269 -1.194 -4.551 1.00 92.22 N +ATOM 101 CA PRO A 17 0.885 -0.319 -4.664 1.00 91.26 C +ATOM 102 C PRO A 17 1.160 0.421 -3.370 1.00 91.42 C +ATOM 103 O PRO A 17 0.305 0.516 -2.493 1.00 89.83 O +ATOM 104 CB PRO A 17 0.492 0.635 -5.785 1.00 90.40 C +ATOM 105 CG PRO A 17 -0.991 0.675 -5.710 1.00 89.13 C +ATOM 106 CD PRO A 17 -1.412 -0.705 -5.311 1.00 89.72 C +HETATM 107 N HYP A 18 2.371 0.928 -3.254 1.00 89.85 N +HETATM 108 CA HYP A 18 2.720 1.749 -2.159 1.00 89.77 C +HETATM 109 C HYP A 18 1.823 2.953 -2.042 1.00 91.25 C +HETATM 110 O HYP A 18 1.340 3.467 -3.059 1.00 91.75 O +HETATM 111 CB HYP A 18 4.175 2.152 -2.466 1.00 87.50 C +HETATM 112 CG HYP A 18 4.704 1.028 -3.311 1.00 87.81 C +HETATM 113 CD HYP A 18 3.491 0.641 -4.140 1.00 90.93 C +HETATM 114 OD1 HYP A 18 5.073 -0.054 -2.467 1.00 88.50 O +ATOM 115 N GLY A 19 1.575 3.350 -0.846 1.00 90.22 N +ATOM 116 CA GLY A 19 0.826 4.551 -0.622 1.00 89.36 C +ATOM 117 C GLY A 19 1.605 5.770 -1.067 1.00 89.52 C +ATOM 118 O GLY A 19 2.793 5.692 -1.384 1.00 90.20 O +ATOM 119 N PRO A 20 0.942 6.907 -1.087 1.00 86.41 N +ATOM 120 CA PRO A 20 1.598 8.133 -1.505 1.00 85.08 C +ATOM 121 C PRO A 20 2.581 8.623 -0.459 1.00 85.11 C +ATOM 122 O PRO A 20 2.536 8.214 0.698 1.00 85.38 O +ATOM 123 CB PRO A 20 0.439 9.107 -1.667 1.00 83.60 C +ATOM 124 CG PRO A 20 -0.571 8.614 -0.696 1.00 80.69 C +ATOM 125 CD PRO A 20 -0.449 7.124 -0.703 1.00 82.23 C +HETATM 126 N HYP A 21 3.491 9.483 -0.892 1.00 87.26 N +HETATM 127 CA HYP A 21 4.351 10.124 0.042 1.00 88.49 C +HETATM 128 C HYP A 21 3.643 10.900 1.126 1.00 86.39 C +HETATM 129 O HYP A 21 2.549 11.385 0.863 1.00 91.61 O +HETATM 130 CB HYP A 21 5.221 11.046 -0.821 1.00 86.51 C +HETATM 131 CG HYP A 21 5.237 10.393 -2.200 1.00 83.32 C +HETATM 132 CD HYP A 21 3.849 9.805 -2.287 1.00 89.84 C +HETATM 133 OD1 HYP A 21 6.188 9.333 -2.191 1.00 85.20 O +ATOM 134 N GLY A 22 4.151 10.914 2.278 1.00 89.84 N +ATOM 135 CA GLY A 22 3.573 11.689 3.337 1.00 87.18 C +ATOM 136 C GLY A 22 3.715 13.177 3.064 1.00 87.00 C +ATOM 137 O GLY A 22 4.280 13.589 2.054 1.00 86.69 O +ATOM 138 N PRO A 23 3.228 14.014 3.976 1.00 91.43 N +ATOM 139 CA PRO A 23 3.349 15.455 3.808 1.00 90.28 C +ATOM 140 C PRO A 23 4.794 15.888 3.735 1.00 89.04 C +ATOM 141 O PRO A 23 5.684 15.185 4.196 1.00 85.71 O +ATOM 142 CB PRO A 23 2.676 16.029 5.050 1.00 87.08 C +ATOM 143 CG PRO A 23 1.878 14.920 5.605 1.00 84.30 C +ATOM 144 CD PRO A 23 2.558 13.660 5.215 1.00 87.29 C +HETATM 145 N HYP A 24 5.055 17.015 3.229 1.00 89.79 N +HETATM 146 CA HYP A 24 6.445 17.445 3.088 1.00 84.21 C +HETATM 147 C HYP A 24 7.312 17.007 4.214 1.00 86.06 C +HETATM 148 O HYP A 24 8.056 17.781 4.815 1.00 84.69 O +HETATM 149 CB HYP A 24 6.340 18.934 2.900 1.00 84.80 C +HETATM 150 CG HYP A 24 4.910 19.244 2.555 1.00 83.91 C +HETATM 151 CD HYP A 24 4.117 18.085 3.121 1.00 88.32 C +HETATM 152 OD1 HYP A 24 4.749 19.212 1.140 1.00 85.27 O +HETATM 153 OXT HYP A 24 7.307 15.824 4.505 1.00 83.34 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_246.txt b/protein_pdb_246.txt new file mode 100644 index 0000000000000000000000000000000000000000..5dd2f0a77f9d8c775d3844a57065f4c7779f9491 --- /dev/null +++ b/protein_pdb_246.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -1.918 -5.651 -6.648 1.00 84.54 N +ATOM 2 CA GLY A 1 -1.755 -5.948 -5.234 1.00 86.64 C +ATOM 3 C GLY A 1 -2.383 -4.884 -4.377 1.00 86.92 C +ATOM 4 O GLY A 1 -2.867 -3.869 -4.891 1.00 84.02 O +ATOM 5 N PRO A 2 -2.378 -5.069 -3.059 1.00 86.03 N +ATOM 6 CA PRO A 2 -2.967 -4.090 -2.153 1.00 87.59 C +ATOM 7 C PRO A 2 -2.105 -2.838 -2.072 1.00 87.11 C +ATOM 8 O PRO A 2 -0.937 -2.848 -2.433 1.00 84.83 O +ATOM 9 CB PRO A 2 -3.004 -4.827 -0.818 1.00 84.78 C +ATOM 10 CG PRO A 2 -1.875 -5.785 -0.906 1.00 82.13 C +ATOM 11 CD PRO A 2 -1.816 -6.209 -2.343 1.00 83.06 C +HETATM 12 N HYP A 3 -2.653 -1.775 -1.616 1.00 86.25 N +HETATM 13 CA HYP A 3 -1.942 -0.557 -1.373 1.00 88.15 C +HETATM 14 C HYP A 3 -0.738 -0.799 -0.439 1.00 86.59 C +HETATM 15 O HYP A 3 -0.782 -1.696 0.444 1.00 87.27 O +HETATM 16 CB HYP A 3 -3.016 0.312 -0.725 1.00 83.87 C +HETATM 17 CG HYP A 3 -4.281 -0.153 -1.371 1.00 79.28 C +HETATM 18 CD HYP A 3 -4.072 -1.630 -1.364 1.00 83.16 C +HETATM 19 OD1 HYP A 3 -4.364 0.314 -2.688 1.00 83.51 O +ATOM 20 N GLY A 4 0.301 -0.108 -0.690 1.00 88.30 N +ATOM 21 CA GLY A 4 1.469 -0.237 0.135 1.00 86.18 C +ATOM 22 C GLY A 4 1.199 0.263 1.545 1.00 85.51 C +ATOM 23 O GLY A 4 0.142 0.825 1.825 1.00 84.62 O +ATOM 24 N PRO A 5 2.156 0.057 2.419 1.00 88.10 N +ATOM 25 CA PRO A 5 1.986 0.524 3.790 1.00 87.36 C +ATOM 26 C PRO A 5 2.020 2.043 3.844 1.00 86.84 C +ATOM 27 O PRO A 5 2.475 2.699 2.913 1.00 84.85 O +ATOM 28 CB PRO A 5 3.165 -0.090 4.528 1.00 84.97 C +ATOM 29 CG PRO A 5 4.189 -0.311 3.476 1.00 83.70 C +ATOM 30 CD PRO A 5 3.434 -0.603 2.212 1.00 86.10 C +HETATM 31 N HYP A 6 1.573 2.575 4.943 1.00 86.46 N +HETATM 32 CA HYP A 6 1.600 3.986 5.123 1.00 89.86 C +HETATM 33 C HYP A 6 3.018 4.552 5.071 1.00 86.49 C +HETATM 34 O HYP A 6 3.977 3.898 5.529 1.00 86.93 O +HETATM 35 CB HYP A 6 0.987 4.178 6.504 1.00 82.26 C +HETATM 36 CG HYP A 6 0.050 2.995 6.615 1.00 81.86 C +HETATM 37 CD HYP A 6 0.840 1.893 5.962 1.00 86.36 C +HETATM 38 OD1 HYP A 6 -1.133 3.191 5.906 1.00 81.68 O +ATOM 39 N GLY A 7 3.155 5.653 4.366 1.00 86.90 N +ATOM 40 CA GLY A 7 4.445 6.274 4.237 1.00 85.16 C +ATOM 41 C GLY A 7 4.847 6.957 5.533 1.00 86.02 C +ATOM 42 O GLY A 7 4.152 6.844 6.551 1.00 85.97 O +ATOM 43 N PRO A 8 5.939 7.673 5.501 1.00 86.40 N +ATOM 44 CA PRO A 8 6.356 8.434 6.674 1.00 87.56 C +ATOM 45 C PRO A 8 5.303 9.476 7.022 1.00 87.33 C +ATOM 46 O PRO A 8 4.457 9.815 6.197 1.00 86.01 O +ATOM 47 CB PRO A 8 7.657 9.105 6.240 1.00 86.13 C +ATOM 48 CG PRO A 8 8.096 8.368 5.033 1.00 85.63 C +ATOM 49 CD PRO A 8 6.856 7.838 4.389 1.00 87.68 C +HETATM 50 N HYP A 9 5.386 9.976 8.285 1.00 83.35 N +HETATM 51 CA HYP A 9 4.494 11.029 8.623 1.00 86.69 C +HETATM 52 C HYP A 9 4.369 12.028 7.601 1.00 81.35 C +HETATM 53 O HYP A 9 5.369 12.464 7.008 1.00 81.72 O +HETATM 54 CB HYP A 9 5.098 11.453 9.994 1.00 81.77 C +HETATM 55 CG HYP A 9 5.632 10.158 10.556 1.00 78.74 C +HETATM 56 CD HYP A 9 6.193 9.490 9.362 1.00 82.18 C +HETATM 57 OD1 HYP A 9 4.636 9.363 11.112 1.00 79.40 O +ATOM 58 N GLY A 10 3.078 12.417 7.178 1.00 83.90 N +ATOM 59 CA GLY A 10 2.774 13.433 6.203 1.00 81.69 C +ATOM 60 C GLY A 10 2.710 12.957 4.771 1.00 81.55 C +ATOM 61 O GLY A 10 2.413 13.748 3.876 1.00 80.69 O +ATOM 62 N HIS A 11 2.972 11.696 4.506 1.00 81.19 N +ATOM 63 CA HIS A 11 2.976 11.164 3.144 1.00 82.70 C +ATOM 64 C HIS A 11 2.254 9.837 3.084 1.00 82.51 C +ATOM 65 O HIS A 11 2.388 8.998 3.969 1.00 79.12 O +ATOM 66 CB HIS A 11 4.405 10.944 2.648 1.00 79.91 C +ATOM 67 CG HIS A 11 5.294 12.146 2.777 1.00 77.42 C +ATOM 68 ND1 HIS A 11 6.182 12.308 3.808 1.00 74.43 N +ATOM 69 CD2 HIS A 11 5.398 13.243 2.009 1.00 72.31 C +ATOM 70 CE1 HIS A 11 6.805 13.456 3.664 1.00 73.03 C +ATOM 71 NE2 HIS A 11 6.356 14.051 2.577 1.00 74.30 N +ATOM 72 N MET A 12 1.498 9.630 2.015 1.00 81.90 N +ATOM 73 CA MET A 12 0.875 8.344 1.762 1.00 82.99 C +ATOM 74 C MET A 12 1.943 7.404 1.213 1.00 83.57 C +ATOM 75 O MET A 12 2.819 7.819 0.458 1.00 76.02 O +ATOM 76 CB MET A 12 -0.258 8.503 0.750 1.00 77.86 C +ATOM 77 CG MET A 12 -1.064 7.239 0.543 1.00 73.96 C +ATOM 78 SD MET A 12 -2.491 7.518 -0.520 1.00 69.61 S +ATOM 79 CE MET A 12 -3.462 8.590 0.513 1.00 64.45 C +ATOM 80 N GLY A 13 1.851 6.144 1.597 1.00 84.79 N +ATOM 81 CA GLY A 13 2.808 5.168 1.115 1.00 83.36 C +ATOM 82 C GLY A 13 2.627 4.888 -0.361 1.00 83.94 C +ATOM 83 O GLY A 13 1.593 5.214 -0.947 1.00 83.65 O +ATOM 84 N PRO A 14 3.622 4.282 -0.990 1.00 83.72 N +ATOM 85 CA PRO A 14 3.510 3.935 -2.400 1.00 83.95 C +ATOM 86 C PRO A 14 2.575 2.750 -2.571 1.00 83.72 C +ATOM 87 O PRO A 14 2.275 2.037 -1.620 1.00 81.31 O +ATOM 88 CB PRO A 14 4.944 3.558 -2.790 1.00 80.99 C +ATOM 89 CG PRO A 14 5.514 3.028 -1.527 1.00 81.11 C +ATOM 90 CD PRO A 14 4.909 3.872 -0.432 1.00 81.56 C +HETATM 91 N HYP A 15 2.148 2.544 -3.776 1.00 79.15 N +HETATM 92 CA HYP A 15 1.347 1.398 -4.094 1.00 80.05 C +HETATM 93 C HYP A 15 2.072 0.105 -3.726 1.00 80.07 C +HETATM 94 O HYP A 15 3.322 0.069 -3.791 1.00 84.70 O +HETATM 95 CB HYP A 15 1.149 1.576 -5.613 1.00 77.43 C +HETATM 96 CG HYP A 15 1.212 3.081 -5.783 1.00 77.80 C +HETATM 97 CD HYP A 15 2.308 3.472 -4.866 1.00 85.69 C +HETATM 98 OD1 HYP A 15 0.013 3.698 -5.387 1.00 81.69 O +ATOM 99 N GLY A 16 1.345 -0.864 -3.351 1.00 85.72 N +ATOM 100 CA GLY A 16 1.945 -2.134 -3.028 1.00 83.85 C +ATOM 101 C GLY A 16 2.434 -2.835 -4.284 1.00 83.84 C +ATOM 102 O GLY A 16 2.180 -2.383 -5.407 1.00 83.94 O +ATOM 103 N PRO A 17 3.128 -3.952 -4.103 1.00 84.33 N +ATOM 104 CA PRO A 17 3.601 -4.705 -5.262 1.00 84.68 C +ATOM 105 C PRO A 17 2.429 -5.269 -6.045 1.00 84.03 C +ATOM 106 O PRO A 17 1.327 -5.402 -5.525 1.00 83.71 O +ATOM 107 CB PRO A 17 4.428 -5.843 -4.659 1.00 83.38 C +ATOM 108 CG PRO A 17 4.498 -5.594 -3.212 1.00 82.69 C +ATOM 109 CD PRO A 17 3.489 -4.570 -2.839 1.00 83.94 C +HETATM 110 N HYP A 18 2.675 -5.633 -7.280 1.00 82.08 N +HETATM 111 CA HYP A 18 1.665 -6.280 -8.051 1.00 85.19 C +HETATM 112 C HYP A 18 1.194 -7.571 -7.400 1.00 79.99 C +HETATM 113 O HYP A 18 1.958 -8.233 -6.683 1.00 85.87 O +HETATM 114 CB HYP A 18 2.431 -6.553 -9.347 1.00 77.40 C +HETATM 115 CG HYP A 18 3.446 -5.431 -9.442 1.00 75.52 C +HETATM 116 CD HYP A 18 3.884 -5.287 -8.030 1.00 84.01 C +HETATM 117 OD1 HYP A 18 2.854 -4.227 -9.876 1.00 83.15 O +ATOM 118 N GLY A 19 -0.084 -7.850 -7.554 1.00 84.23 N +ATOM 119 CA GLY A 19 -0.653 -9.045 -7.000 1.00 82.69 C +ATOM 120 C GLY A 19 -0.041 -10.288 -7.627 1.00 82.60 C +ATOM 121 O GLY A 19 0.730 -10.194 -8.588 1.00 83.32 O +ATOM 122 N PRO A 20 -0.402 -11.449 -7.105 1.00 77.02 N +ATOM 123 CA PRO A 20 0.137 -12.684 -7.657 1.00 79.19 C +ATOM 124 C PRO A 20 -0.422 -12.945 -9.046 1.00 77.80 C +ATOM 125 O PRO A 20 -1.434 -12.365 -9.438 1.00 79.02 O +ATOM 126 CB PRO A 20 -0.324 -13.743 -6.655 1.00 76.58 C +ATOM 127 CG PRO A 20 -1.548 -13.160 -6.044 1.00 72.69 C +ATOM 128 CD PRO A 20 -1.307 -11.679 -5.991 1.00 73.60 C +HETATM 129 N HYP A 21 0.208 -13.816 -9.795 1.00 80.05 N +HETATM 130 CA HYP A 21 -0.266 -14.212 -11.083 1.00 81.59 C +HETATM 131 C HYP A 21 -1.675 -14.787 -11.066 1.00 80.58 C +HETATM 132 O HYP A 21 -2.066 -15.380 -10.048 1.00 86.13 O +HETATM 133 CB HYP A 21 0.745 -15.289 -11.486 1.00 78.52 C +HETATM 134 CG HYP A 21 2.016 -14.916 -10.725 1.00 74.54 C +HETATM 135 CD HYP A 21 1.496 -14.402 -9.423 1.00 80.29 C +HETATM 136 OD1 HYP A 21 2.706 -13.856 -11.383 1.00 83.13 O +ATOM 137 N GLY A 22 -2.472 -14.505 -12.054 1.00 79.64 N +ATOM 138 CA GLY A 22 -3.827 -14.981 -12.124 1.00 78.46 C +ATOM 139 C GLY A 22 -3.891 -16.497 -12.183 1.00 77.30 C +ATOM 140 O GLY A 22 -2.861 -17.166 -12.316 1.00 78.51 O +ATOM 141 N PRO A 23 -5.088 -17.045 -12.107 1.00 80.84 N +ATOM 142 CA PRO A 23 -5.245 -18.496 -12.163 1.00 83.37 C +ATOM 143 C PRO A 23 -4.817 -19.031 -13.511 1.00 81.60 C +ATOM 144 O PRO A 23 -4.851 -18.316 -14.514 1.00 79.40 O +ATOM 145 CB PRO A 23 -6.742 -18.718 -11.954 1.00 78.40 C +ATOM 146 CG PRO A 23 -7.270 -17.431 -11.463 1.00 73.11 C +ATOM 147 CD PRO A 23 -6.357 -16.363 -11.950 1.00 76.26 C +HETATM 148 N HYP A 24 -4.479 -20.279 -13.602 1.00 86.15 N +HETATM 149 CA HYP A 24 -4.100 -20.808 -14.906 1.00 82.44 C +HETATM 150 C HYP A 24 -5.360 -20.761 -15.783 1.00 78.87 C +HETATM 151 O HYP A 24 -5.213 -20.287 -16.874 1.00 82.45 O +HETATM 152 CB HYP A 24 -3.819 -22.318 -14.536 1.00 78.87 C +HETATM 153 CG HYP A 24 -3.586 -22.392 -13.052 1.00 78.82 C +HETATM 154 CD HYP A 24 -4.412 -21.254 -12.482 1.00 87.44 C +HETATM 155 OD1 HYP A 24 -2.211 -22.127 -12.779 1.00 82.49 O +HETATM 156 OXT HYP A 24 -6.456 -21.200 -15.326 1.00 82.96 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_247.txt b/protein_pdb_247.txt new file mode 100644 index 0000000000000000000000000000000000000000..8388189fa57199a344e1bc3d1820499eb7484c4e --- /dev/null +++ b/protein_pdb_247.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -13.519 30.527 -11.989 1.00 82.74 N +ATOM 2 CA GLY A 1 -12.886 30.351 -10.684 1.00 86.10 C +ATOM 3 C GLY A 1 -11.544 29.667 -10.807 1.00 87.40 C +ATOM 4 O GLY A 1 -11.183 29.192 -11.881 1.00 83.27 O +ATOM 5 N PRO A 2 -10.787 29.571 -9.726 1.00 86.01 N +ATOM 6 CA PRO A 2 -9.479 28.922 -9.752 1.00 89.07 C +ATOM 7 C PRO A 2 -9.614 27.419 -9.958 1.00 89.31 C +ATOM 8 O PRO A 2 -10.659 26.835 -9.700 1.00 86.17 O +ATOM 9 CB PRO A 2 -8.884 29.250 -8.387 1.00 84.60 C +ATOM 10 CG PRO A 2 -10.082 29.406 -7.515 1.00 81.18 C +ATOM 11 CD PRO A 2 -11.122 30.056 -8.386 1.00 82.59 C +HETATM 12 N HYP A 3 -8.604 26.877 -10.454 1.00 93.07 N +HETATM 13 CA HYP A 3 -8.517 25.379 -10.584 1.00 90.85 C +HETATM 14 C HYP A 3 -8.793 24.706 -9.280 1.00 92.07 C +HETATM 15 O HYP A 3 -8.457 25.238 -8.206 1.00 90.35 O +HETATM 16 CB HYP A 3 -7.097 25.195 -11.073 1.00 88.34 C +HETATM 17 CG HYP A 3 -6.720 26.481 -11.744 1.00 87.76 C +HETATM 18 CD HYP A 3 -7.395 27.528 -10.855 1.00 91.78 C +HETATM 19 OD1 HYP A 3 -7.242 26.573 -13.033 1.00 89.62 O +ATOM 20 N GLY A 4 -9.422 23.515 -9.358 1.00 93.84 N +ATOM 21 CA GLY A 4 -9.712 22.751 -8.173 1.00 92.85 C +ATOM 22 C GLY A 4 -8.439 22.240 -7.516 1.00 92.92 C +ATOM 23 O GLY A 4 -7.354 22.298 -8.108 1.00 92.13 O +ATOM 24 N PRO A 5 -8.562 21.725 -6.293 1.00 93.31 N +ATOM 25 CA PRO A 5 -7.389 21.204 -5.591 1.00 93.07 C +ATOM 26 C PRO A 5 -6.918 19.895 -6.202 1.00 93.30 C +ATOM 27 O PRO A 5 -7.654 19.224 -6.921 1.00 92.12 O +ATOM 28 CB PRO A 5 -7.900 21.002 -4.166 1.00 90.76 C +ATOM 29 CG PRO A 5 -9.348 20.711 -4.362 1.00 88.70 C +ATOM 30 CD PRO A 5 -9.778 21.583 -5.515 1.00 90.65 C +HETATM 31 N HYP A 6 -5.697 19.565 -5.939 1.00 94.07 N +HETATM 32 CA HYP A 6 -5.172 18.226 -6.309 1.00 93.65 C +HETATM 33 C HYP A 6 -5.999 17.117 -5.757 1.00 92.49 C +HETATM 34 O HYP A 6 -6.594 17.274 -4.670 1.00 91.07 O +HETATM 35 CB HYP A 6 -3.748 18.265 -5.718 1.00 91.72 C +HETATM 36 CG HYP A 6 -3.402 19.733 -5.698 1.00 88.69 C +HETATM 37 CD HYP A 6 -4.714 20.372 -5.312 1.00 92.76 C +HETATM 38 OD1 HYP A 6 -2.987 20.194 -6.948 1.00 88.33 O +ATOM 39 N GLY A 7 -6.100 15.993 -6.463 1.00 95.81 N +ATOM 40 CA GLY A 7 -6.872 14.857 -6.026 1.00 95.36 C +ATOM 41 C GLY A 7 -6.289 14.230 -4.774 1.00 95.70 C +ATOM 42 O GLY A 7 -5.179 14.559 -4.356 1.00 95.34 O +ATOM 43 N PRO A 8 -7.037 13.309 -4.171 1.00 94.30 N +ATOM 44 CA PRO A 8 -6.563 12.632 -2.968 1.00 94.56 C +ATOM 45 C PRO A 8 -5.448 11.650 -3.298 1.00 94.61 C +ATOM 46 O PRO A 8 -5.265 11.254 -4.441 1.00 93.76 O +ATOM 47 CB PRO A 8 -7.807 11.918 -2.449 1.00 93.04 C +ATOM 48 CG PRO A 8 -8.578 11.634 -3.692 1.00 91.56 C +ATOM 49 CD PRO A 8 -8.348 12.837 -4.575 1.00 92.71 C +HETATM 50 N HYP A 9 -4.720 11.252 -2.313 1.00 94.28 N +HETATM 51 CA HYP A 9 -3.711 10.210 -2.456 1.00 94.29 C +HETATM 52 C HYP A 9 -4.285 8.924 -2.923 1.00 95.59 C +HETATM 53 O HYP A 9 -5.432 8.603 -2.580 1.00 92.60 O +HETATM 54 CB HYP A 9 -3.188 10.016 -0.980 1.00 92.45 C +HETATM 55 CG HYP A 9 -3.452 11.337 -0.340 1.00 90.11 C +HETATM 56 CD HYP A 9 -4.761 11.759 -0.987 1.00 93.24 C +HETATM 57 OD1 HYP A 9 -2.442 12.270 -0.698 1.00 88.31 O +ATOM 58 N GLY A 10 -3.557 8.190 -3.720 1.00 95.90 N +ATOM 59 CA GLY A 10 -4.010 6.908 -4.207 1.00 95.15 C +ATOM 60 C GLY A 10 -4.157 5.899 -3.079 1.00 95.24 C +ATOM 61 O GLY A 10 -3.781 6.168 -1.935 1.00 94.70 O +ATOM 62 N PRO A 11 -4.692 4.709 -3.393 1.00 93.84 N +ATOM 63 CA PRO A 11 -4.868 3.700 -2.359 1.00 93.38 C +ATOM 64 C PRO A 11 -3.539 3.164 -1.859 1.00 92.97 C +ATOM 65 O PRO A 11 -2.523 3.188 -2.558 1.00 90.29 O +ATOM 66 CB PRO A 11 -5.681 2.608 -3.061 1.00 91.44 C +ATOM 67 CG PRO A 11 -5.327 2.771 -4.493 1.00 91.27 C +ATOM 68 CD PRO A 11 -5.158 4.254 -4.694 1.00 92.74 C +ATOM 69 N LEU A 12 -3.553 2.659 -0.632 1.00 92.64 N +ATOM 70 CA LEU A 12 -2.368 2.061 -0.046 1.00 92.08 C +ATOM 71 C LEU A 12 -1.982 0.831 -0.863 1.00 92.45 C +ATOM 72 O LEU A 12 -2.847 0.076 -1.311 1.00 89.73 O +ATOM 73 CB LEU A 12 -2.663 1.663 1.409 1.00 88.67 C +ATOM 74 CG LEU A 12 -1.507 1.073 2.214 1.00 81.04 C +ATOM 75 CD1 LEU A 12 -0.385 2.075 2.358 1.00 78.77 C +ATOM 76 CD2 LEU A 12 -2.009 0.640 3.583 1.00 75.93 C +ATOM 77 N GLY A 13 -0.687 0.658 -1.062 1.00 93.96 N +ATOM 78 CA GLY A 13 -0.206 -0.487 -1.812 1.00 93.37 C +ATOM 79 C GLY A 13 -0.497 -1.802 -1.121 1.00 94.01 C +ATOM 80 O GLY A 13 -0.871 -1.836 0.052 1.00 93.67 O +ATOM 81 N PRO A 14 -0.325 -2.923 -1.830 1.00 92.43 N +ATOM 82 CA PRO A 14 -0.595 -4.236 -1.246 1.00 92.67 C +ATOM 83 C PRO A 14 0.440 -4.602 -0.191 1.00 92.82 C +ATOM 84 O PRO A 14 1.538 -4.056 -0.167 1.00 91.72 O +ATOM 85 CB PRO A 14 -0.527 -5.183 -2.445 1.00 91.24 C +ATOM 86 CG PRO A 14 0.417 -4.503 -3.369 1.00 90.54 C +ATOM 87 CD PRO A 14 0.128 -3.032 -3.214 1.00 91.33 C +HETATM 88 N HYP A 15 0.095 -5.557 0.673 1.00 90.18 N +HETATM 89 CA HYP A 15 1.033 -6.065 1.648 1.00 90.65 C +HETATM 90 C HYP A 15 2.259 -6.682 0.985 1.00 94.15 C +HETATM 91 O HYP A 15 2.160 -7.182 -0.139 1.00 83.05 O +HETATM 92 CB HYP A 15 0.201 -7.154 2.346 1.00 89.94 C +HETATM 93 CG HYP A 15 -1.229 -6.670 2.178 1.00 86.58 C +HETATM 94 CD HYP A 15 -1.211 -6.123 0.804 1.00 89.82 C +HETATM 95 OD1 HYP A 15 -1.562 -5.649 3.093 1.00 89.56 O +ATOM 96 N GLY A 16 3.367 -6.606 1.624 1.00 95.24 N +ATOM 97 CA GLY A 16 4.552 -7.228 1.108 1.00 94.59 C +ATOM 98 C GLY A 16 4.423 -8.745 1.109 1.00 95.03 C +ATOM 99 O GLY A 16 3.472 -9.297 1.665 1.00 94.61 O +ATOM 100 N PRO A 17 5.384 -9.431 0.489 1.00 89.82 N +ATOM 101 CA PRO A 17 5.336 -10.889 0.434 1.00 90.26 C +ATOM 102 C PRO A 17 5.611 -11.506 1.802 1.00 90.22 C +ATOM 103 O PRO A 17 6.173 -10.869 2.679 1.00 89.10 O +ATOM 104 CB PRO A 17 6.425 -11.240 -0.569 1.00 88.10 C +ATOM 105 CG PRO A 17 7.399 -10.122 -0.433 1.00 86.56 C +ATOM 106 CD PRO A 17 6.558 -8.896 -0.203 1.00 87.78 C +HETATM 107 N HYP A 18 5.229 -12.743 1.976 1.00 92.45 N +HETATM 108 CA HYP A 18 5.538 -13.484 3.170 1.00 92.07 C +HETATM 109 C HYP A 18 7.024 -13.556 3.424 1.00 92.55 C +HETATM 110 O HYP A 18 7.812 -13.637 2.472 1.00 89.28 O +HETATM 111 CB HYP A 18 4.949 -14.854 2.910 1.00 91.71 C +HETATM 112 CG HYP A 18 3.821 -14.613 1.942 1.00 89.71 C +HETATM 113 CD HYP A 18 4.375 -13.511 1.091 1.00 90.12 C +HETATM 114 OD1 HYP A 18 2.654 -14.156 2.593 1.00 90.66 O +ATOM 115 N GLY A 19 7.425 -13.517 4.667 1.00 91.52 N +ATOM 116 CA GLY A 19 8.814 -13.596 5.018 1.00 90.76 C +ATOM 117 C GLY A 19 9.405 -14.944 4.626 1.00 91.22 C +ATOM 118 O GLY A 19 8.678 -15.869 4.253 1.00 90.68 O +ATOM 119 N PRO A 20 10.725 -15.067 4.725 1.00 89.91 N +ATOM 120 CA PRO A 20 11.372 -16.321 4.367 1.00 89.58 C +ATOM 121 C PRO A 20 11.068 -17.413 5.386 1.00 89.31 C +ATOM 122 O PRO A 20 10.688 -17.129 6.517 1.00 87.14 O +ATOM 123 CB PRO A 20 12.851 -15.959 4.355 1.00 86.60 C +ATOM 124 CG PRO A 20 12.944 -14.848 5.336 1.00 84.30 C +ATOM 125 CD PRO A 20 11.674 -14.050 5.157 1.00 87.02 C +HETATM 126 N HYP A 21 11.265 -18.649 5.024 1.00 93.96 N +HETATM 127 CA HYP A 21 11.078 -19.782 5.903 1.00 92.29 C +HETATM 128 C HYP A 21 12.012 -19.717 7.106 1.00 94.49 C +HETATM 129 O HYP A 21 13.138 -19.208 6.974 1.00 91.56 O +HETATM 130 CB HYP A 21 11.481 -20.996 5.048 1.00 92.22 C +HETATM 131 CG HYP A 21 11.251 -20.553 3.625 1.00 91.62 C +HETATM 132 CD HYP A 21 11.610 -19.089 3.682 1.00 93.34 C +HETATM 133 OD1 HYP A 21 9.873 -20.665 3.284 1.00 89.79 O +ATOM 134 N GLY A 22 11.563 -20.121 8.246 1.00 87.44 N +ATOM 135 CA GLY A 22 12.393 -20.147 9.421 1.00 86.18 C +ATOM 136 C GLY A 22 13.526 -21.151 9.253 1.00 86.70 C +ATOM 137 O GLY A 22 13.557 -21.916 8.294 1.00 84.85 O +ATOM 138 N PRO A 23 14.476 -21.186 10.205 1.00 88.03 N +ATOM 139 CA PRO A 23 15.597 -22.116 10.107 1.00 88.48 C +ATOM 140 C PRO A 23 15.125 -23.550 10.293 1.00 88.04 C +ATOM 141 O PRO A 23 14.106 -23.811 10.930 1.00 83.91 O +ATOM 142 CB PRO A 23 16.524 -21.670 11.227 1.00 83.93 C +ATOM 143 CG PRO A 23 15.614 -21.031 12.212 1.00 80.37 C +ATOM 144 CD PRO A 23 14.549 -20.355 11.399 1.00 82.91 C +HETATM 145 N HYP A 24 15.869 -24.523 9.826 1.00 89.09 N +HETATM 146 CA HYP A 24 15.473 -25.918 9.968 1.00 85.01 C +HETATM 147 C HYP A 24 15.454 -26.293 11.420 1.00 88.26 C +HETATM 148 O HYP A 24 16.361 -25.859 12.166 1.00 84.94 O +HETATM 149 CB HYP A 24 16.598 -26.734 9.257 1.00 88.50 C +HETATM 150 CG HYP A 24 17.275 -25.746 8.345 1.00 84.88 C +HETATM 151 CD HYP A 24 17.114 -24.408 9.066 1.00 87.95 C +HETATM 152 OD1 HYP A 24 16.565 -25.699 7.127 1.00 82.61 O +HETATM 153 OXT HYP A 24 14.513 -27.021 11.788 1.00 79.63 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_248.txt b/protein_pdb_248.txt new file mode 100644 index 0000000000000000000000000000000000000000..0ad516c70444215e7f45d3dcc3486c23df3313f1 --- /dev/null +++ b/protein_pdb_248.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -5.965 6.570 0.197 1.00 76.54 N +ATOM 2 CA GLY A 1 -4.837 6.248 -0.657 1.00 79.94 C +ATOM 3 C GLY A 1 -5.025 4.913 -1.338 1.00 81.42 C +ATOM 4 O GLY A 1 -6.023 4.230 -1.111 1.00 77.28 O +ATOM 5 N PRO A 2 -4.059 4.522 -2.171 1.00 79.53 N +ATOM 6 CA PRO A 2 -4.157 3.251 -2.874 1.00 82.09 C +ATOM 7 C PRO A 2 -3.912 2.080 -1.931 1.00 82.31 C +ATOM 8 O PRO A 2 -3.388 2.241 -0.840 1.00 79.98 O +ATOM 9 CB PRO A 2 -3.050 3.347 -3.929 1.00 77.92 C +ATOM 10 CG PRO A 2 -2.040 4.229 -3.294 1.00 75.21 C +ATOM 11 CD PRO A 2 -2.819 5.229 -2.486 1.00 75.44 C +HETATM 12 N HYP A 3 -4.277 0.886 -2.346 1.00 75.35 N +HETATM 13 CA HYP A 3 -4.028 -0.303 -1.608 1.00 83.15 C +HETATM 14 C HYP A 3 -2.511 -0.504 -1.353 1.00 80.79 C +HETATM 15 O HYP A 3 -1.670 -0.080 -2.187 1.00 80.97 O +HETATM 16 CB HYP A 3 -4.544 -1.385 -2.564 1.00 80.82 C +HETATM 17 CG HYP A 3 -5.645 -0.704 -3.283 1.00 74.90 C +HETATM 18 CD HYP A 3 -5.041 0.667 -3.529 1.00 77.18 C +HETATM 19 OD1 HYP A 3 -6.784 -0.566 -2.489 1.00 79.35 O +ATOM 20 N GLY A 4 -2.207 -0.999 -0.217 1.00 86.00 N +ATOM 21 CA GLY A 4 -0.833 -1.260 0.111 1.00 84.88 C +ATOM 22 C GLY A 4 -0.254 -2.369 -0.745 1.00 83.21 C +ATOM 23 O GLY A 4 -0.968 -3.012 -1.519 1.00 80.84 O +ATOM 24 N PRO A 5 1.030 -2.596 -0.599 1.00 84.30 N +ATOM 25 CA PRO A 5 1.668 -3.653 -1.371 1.00 82.76 C +ATOM 26 C PRO A 5 1.232 -5.023 -0.889 1.00 82.74 C +ATOM 27 O PRO A 5 0.791 -5.184 0.247 1.00 80.19 O +ATOM 28 CB PRO A 5 3.156 -3.424 -1.128 1.00 79.35 C +ATOM 29 CG PRO A 5 3.194 -2.806 0.225 1.00 79.66 C +ATOM 30 CD PRO A 5 1.964 -1.944 0.310 1.00 81.52 C +HETATM 31 N HYP A 6 1.408 -6.010 -1.756 1.00 80.06 N +HETATM 32 CA HYP A 6 1.132 -7.350 -1.340 1.00 85.06 C +HETATM 33 C HYP A 6 2.056 -7.777 -0.210 1.00 82.19 C +HETATM 34 O HYP A 6 3.238 -7.359 -0.150 1.00 81.01 O +HETATM 35 CB HYP A 6 1.457 -8.161 -2.606 1.00 81.30 C +HETATM 36 CG HYP A 6 1.156 -7.201 -3.726 1.00 79.04 C +HETATM 37 CD HYP A 6 1.636 -5.897 -3.174 1.00 81.26 C +HETATM 38 OD1 HYP A 6 -0.210 -7.120 -3.994 1.00 78.66 O +ATOM 39 N GLY A 7 1.480 -8.466 0.768 1.00 82.00 N +ATOM 40 CA GLY A 7 2.261 -8.949 1.878 1.00 80.06 C +ATOM 41 C GLY A 7 3.127 -10.121 1.476 1.00 80.72 C +ATOM 42 O GLY A 7 3.072 -10.599 0.339 1.00 79.79 O +ATOM 43 N PRO A 8 3.913 -10.611 2.412 1.00 80.80 N +ATOM 44 CA PRO A 8 4.691 -11.820 2.152 1.00 80.46 C +ATOM 45 C PRO A 8 3.748 -12.993 1.926 1.00 80.83 C +ATOM 46 O PRO A 8 2.594 -12.971 2.342 1.00 79.05 O +ATOM 47 CB PRO A 8 5.514 -12.023 3.421 1.00 77.49 C +ATOM 48 CG PRO A 8 5.288 -10.829 4.254 1.00 78.65 C +ATOM 49 CD PRO A 8 4.066 -10.131 3.770 1.00 79.81 C +HETATM 50 N HYP A 9 4.261 -14.051 1.248 1.00 74.35 N +HETATM 51 CA HYP A 9 3.488 -15.223 1.121 1.00 83.89 C +HETATM 52 C HYP A 9 2.907 -15.685 2.369 1.00 75.05 C +HETATM 53 O HYP A 9 3.620 -15.708 3.402 1.00 77.40 O +HETATM 54 CB HYP A 9 4.427 -16.206 0.436 1.00 77.03 C +HETATM 55 CG HYP A 9 5.339 -15.302 -0.388 1.00 74.26 C +HETATM 56 CD HYP A 9 5.493 -14.103 0.490 1.00 76.16 C +HETATM 57 OD1 HYP A 9 4.741 -14.893 -1.589 1.00 74.18 O +ATOM 58 N GLY A 10 1.564 -15.892 2.468 1.00 78.80 N +ATOM 59 CA GLY A 10 0.867 -16.348 3.645 1.00 75.59 C +ATOM 60 C GLY A 10 0.308 -15.246 4.526 1.00 74.01 C +ATOM 61 O GLY A 10 -0.377 -15.545 5.495 1.00 72.85 O +ATOM 62 N PHE A 11 0.582 -13.975 4.229 1.00 75.09 N +ATOM 63 CA PHE A 11 0.096 -12.851 5.027 1.00 77.00 C +ATOM 64 C PHE A 11 -0.426 -11.754 4.104 1.00 75.46 C +ATOM 65 O PHE A 11 0.262 -11.377 3.156 1.00 75.25 O +ATOM 66 CB PHE A 11 1.203 -12.262 5.899 1.00 74.86 C +ATOM 67 CG PHE A 11 1.868 -13.251 6.811 1.00 71.10 C +ATOM 68 CD1 PHE A 11 2.997 -13.939 6.388 1.00 66.86 C +ATOM 69 CD2 PHE A 11 1.369 -13.507 8.070 1.00 68.64 C +ATOM 70 CE1 PHE A 11 3.611 -14.867 7.209 1.00 66.28 C +ATOM 71 CE2 PHE A 11 1.977 -14.432 8.901 1.00 69.20 C +ATOM 72 CZ PHE A 11 3.105 -15.113 8.476 1.00 66.42 C +ATOM 73 N PRO A 12 -1.622 -11.202 4.371 1.00 68.80 N +ATOM 74 CA PRO A 12 -2.108 -10.082 3.560 1.00 68.19 C +ATOM 75 C PRO A 12 -1.239 -8.855 3.747 1.00 68.27 C +ATOM 76 O PRO A 12 -0.662 -8.643 4.812 1.00 64.70 O +ATOM 77 CB PRO A 12 -3.521 -9.812 4.104 1.00 64.61 C +ATOM 78 CG PRO A 12 -3.885 -11.014 4.896 1.00 62.16 C +ATOM 79 CD PRO A 12 -2.598 -11.589 5.402 1.00 60.94 C +ATOM 80 N GLY A 13 -1.165 -8.042 2.705 1.00 77.99 N +ATOM 81 CA GLY A 13 -0.467 -6.780 2.830 1.00 75.46 C +ATOM 82 C GLY A 13 -1.307 -5.787 3.600 1.00 76.25 C +ATOM 83 O GLY A 13 -2.521 -5.959 3.741 1.00 75.33 O +ATOM 84 N PRO A 14 -0.683 -4.733 4.122 1.00 74.32 N +ATOM 85 CA PRO A 14 -1.438 -3.706 4.836 1.00 75.35 C +ATOM 86 C PRO A 14 -2.139 -2.779 3.857 1.00 74.82 C +ATOM 87 O PRO A 14 -1.746 -2.670 2.700 1.00 72.42 O +ATOM 88 CB PRO A 14 -0.354 -2.955 5.614 1.00 72.51 C +ATOM 89 CG PRO A 14 0.843 -3.072 4.733 1.00 72.48 C +ATOM 90 CD PRO A 14 0.756 -4.441 4.106 1.00 72.53 C +HETATM 91 N HYP A 15 -3.148 -2.092 4.303 1.00 69.15 N +HETATM 92 CA HYP A 15 -3.783 -1.063 3.550 1.00 72.75 C +HETATM 93 C HYP A 15 -2.810 0.063 3.241 1.00 75.87 C +HETATM 94 O HYP A 15 -1.857 0.270 4.034 1.00 75.47 O +HETATM 95 CB HYP A 15 -4.893 -0.631 4.507 1.00 70.98 C +HETATM 96 CG HYP A 15 -5.198 -1.886 5.277 1.00 69.34 C +HETATM 97 CD HYP A 15 -3.845 -2.476 5.489 1.00 74.29 C +HETATM 98 OD1 HYP A 15 -5.993 -2.766 4.523 1.00 76.04 O +ATOM 99 N GLY A 16 -2.980 0.700 2.165 1.00 80.02 N +ATOM 100 CA GLY A 16 -2.133 1.823 1.841 1.00 77.65 C +ATOM 101 C GLY A 16 -2.373 2.984 2.788 1.00 78.34 C +ATOM 102 O GLY A 16 -3.308 2.967 3.594 1.00 77.71 O +ATOM 103 N PRO A 17 -1.533 4.017 2.687 1.00 66.03 N +ATOM 104 CA PRO A 17 -1.714 5.185 3.539 1.00 68.48 C +ATOM 105 C PRO A 17 -2.958 5.963 3.143 1.00 67.53 C +ATOM 106 O PRO A 17 -3.460 5.830 2.035 1.00 68.00 O +ATOM 107 CB PRO A 17 -0.445 5.996 3.291 1.00 66.94 C +ATOM 108 CG PRO A 17 -0.018 5.597 1.928 1.00 65.43 C +ATOM 109 CD PRO A 17 -0.393 4.152 1.782 1.00 64.66 C +HETATM 110 N HYP A 18 -3.436 6.783 4.021 1.00 67.08 N +HETATM 111 CA HYP A 18 -4.553 7.652 3.734 1.00 73.59 C +HETATM 112 C HYP A 18 -4.248 8.562 2.558 1.00 68.19 C +HETATM 113 O HYP A 18 -3.068 8.924 2.326 1.00 74.82 O +HETATM 114 CB HYP A 18 -4.692 8.371 5.033 1.00 65.76 C +HETATM 115 CG HYP A 18 -4.218 7.399 6.075 1.00 65.50 C +HETATM 116 CD HYP A 18 -3.046 6.758 5.404 1.00 71.71 C +HETATM 117 OD1 HYP A 18 -5.187 6.422 6.368 1.00 72.55 O +ATOM 118 N GLY A 19 -5.256 8.898 1.800 1.00 72.23 N +ATOM 119 CA GLY A 19 -5.103 9.816 0.707 1.00 69.39 C +ATOM 120 C GLY A 19 -4.753 11.210 1.196 1.00 69.50 C +ATOM 121 O GLY A 19 -4.713 11.471 2.403 1.00 70.34 O +ATOM 122 N PRO A 20 -4.510 12.123 0.261 1.00 63.72 N +ATOM 123 CA PRO A 20 -4.164 13.482 0.652 1.00 66.49 C +ATOM 124 C PRO A 20 -5.339 14.187 1.300 1.00 66.10 C +ATOM 125 O PRO A 20 -6.491 13.809 1.106 1.00 66.58 O +ATOM 126 CB PRO A 20 -3.768 14.139 -0.672 1.00 63.45 C +ATOM 127 CG PRO A 20 -4.477 13.343 -1.707 1.00 59.79 C +ATOM 128 CD PRO A 20 -4.549 11.938 -1.177 1.00 58.83 C +HETATM 129 N HYP A 21 -5.089 15.248 2.052 1.00 69.15 N +HETATM 130 CA HYP A 21 -6.103 16.028 2.650 1.00 76.69 C +HETATM 131 C HYP A 21 -7.034 16.669 1.655 1.00 68.58 C +HETATM 132 O HYP A 21 -6.567 17.000 0.524 1.00 77.64 O +HETATM 133 CB HYP A 21 -5.307 17.102 3.398 1.00 71.53 C +HETATM 134 CG HYP A 21 -3.971 16.457 3.696 1.00 66.62 C +HETATM 135 CD HYP A 21 -3.732 15.618 2.469 1.00 71.85 C +HETATM 136 OD1 HYP A 21 -4.054 15.608 4.838 1.00 74.28 O +ATOM 137 N GLY A 22 -8.291 16.740 1.942 1.00 71.64 N +ATOM 138 CA GLY A 22 -9.243 17.394 1.083 1.00 68.96 C +ATOM 139 C GLY A 22 -8.992 18.891 1.023 1.00 67.40 C +ATOM 140 O GLY A 22 -8.164 19.426 1.766 1.00 68.16 O +ATOM 141 N PRO A 23 -9.712 19.598 0.153 1.00 72.24 N +ATOM 142 CA PRO A 23 -9.528 21.040 0.048 1.00 75.57 C +ATOM 143 C PRO A 23 -10.100 21.739 1.264 1.00 74.70 C +ATOM 144 O PRO A 23 -11.003 21.241 1.929 1.00 71.84 O +ATOM 145 CB PRO A 23 -10.301 21.400 -1.217 1.00 70.47 C +ATOM 146 CG PRO A 23 -11.335 20.340 -1.319 1.00 65.64 C +ATOM 147 CD PRO A 23 -10.711 19.094 -0.770 1.00 67.19 C +HETATM 148 N HYP A 24 -9.619 22.956 1.536 1.00 76.55 N +HETATM 149 CA HYP A 24 -10.202 23.682 2.654 1.00 75.54 C +HETATM 150 C HYP A 24 -11.617 24.055 2.279 1.00 71.37 C +HETATM 151 O HYP A 24 -11.843 24.902 1.409 1.00 79.38 O +HETATM 152 CB HYP A 24 -9.334 24.996 2.699 1.00 75.86 C +HETATM 153 CG HYP A 24 -8.065 24.682 1.962 1.00 71.93 C +HETATM 154 CD HYP A 24 -8.463 23.620 0.911 1.00 78.74 C +HETATM 155 OD1 HYP A 24 -7.139 24.088 2.866 1.00 76.78 O +HETATM 156 OXT HYP A 24 -12.437 23.320 2.818 1.00 70.04 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_249.txt b/protein_pdb_249.txt new file mode 100644 index 0000000000000000000000000000000000000000..6ee91f3ed93316b1ec56e68aeb9a73c0bfa06b21 --- /dev/null +++ b/protein_pdb_249.txt @@ -0,0 +1,163 @@ +ATOM 1 N GLY A 1 -8.299 13.837 -4.572 1.00 87.13 N +ATOM 2 CA GLY A 1 -9.041 12.607 -4.743 1.00 88.53 C +ATOM 3 C GLY A 1 -8.989 11.762 -3.497 1.00 89.54 C +ATOM 4 O GLY A 1 -8.393 12.145 -2.494 1.00 87.34 O +ATOM 5 N PRO A 2 -9.554 10.499 -3.510 1.00 89.33 N +ATOM 6 CA PRO A 2 -9.590 9.626 -2.347 1.00 90.36 C +ATOM 7 C PRO A 2 -8.242 8.982 -2.071 1.00 90.51 C +ATOM 8 O PRO A 2 -7.371 8.924 -2.939 1.00 88.38 O +ATOM 9 CB PRO A 2 -10.636 8.579 -2.728 1.00 87.02 C +ATOM 10 CG PRO A 2 -10.585 8.538 -4.210 1.00 83.24 C +ATOM 11 CD PRO A 2 -10.265 9.934 -4.648 1.00 84.97 C +HETATM 12 N HYP A 3 -8.097 8.480 -0.867 1.00 91.46 N +HETATM 13 CA HYP A 3 -6.890 7.739 -0.494 1.00 87.05 C +HETATM 14 C HYP A 3 -6.759 6.456 -1.313 1.00 92.89 C +HETATM 15 O HYP A 3 -7.791 5.883 -1.736 1.00 92.79 O +HETATM 16 CB HYP A 3 -7.171 7.377 0.996 1.00 90.11 C +HETATM 17 CG HYP A 3 -8.105 8.488 1.465 1.00 87.23 C +HETATM 18 CD HYP A 3 -8.991 8.725 0.221 1.00 89.93 C +HETATM 19 OD1 HYP A 3 -7.351 9.632 1.747 1.00 88.26 O +ATOM 20 N GLY A 4 -5.556 6.083 -1.596 1.00 90.63 N +ATOM 21 CA GLY A 4 -5.308 4.861 -2.303 1.00 89.37 C +ATOM 22 C GLY A 4 -5.661 3.651 -1.465 1.00 89.81 C +ATOM 23 O GLY A 4 -5.954 3.758 -0.271 1.00 90.48 O +ATOM 24 N PRO A 5 -5.626 2.472 -2.082 1.00 91.30 N +ATOM 25 CA PRO A 5 -5.949 1.248 -1.361 1.00 90.49 C +ATOM 26 C PRO A 5 -4.852 0.872 -0.378 1.00 90.40 C +ATOM 27 O PRO A 5 -3.724 1.351 -0.472 1.00 89.89 O +ATOM 28 CB PRO A 5 -6.090 0.216 -2.471 1.00 88.72 C +ATOM 29 CG PRO A 5 -5.197 0.722 -3.544 1.00 87.14 C +ATOM 30 CD PRO A 5 -5.269 2.216 -3.472 1.00 89.18 C +HETATM 31 N HYP A 6 -5.224 -0.022 0.561 1.00 91.85 N +HETATM 32 CA HYP A 6 -4.239 -0.534 1.484 1.00 93.58 C +HETATM 33 C HYP A 6 -3.111 -1.257 0.760 1.00 94.57 C +HETATM 34 O HYP A 6 -3.341 -1.871 -0.314 1.00 92.23 O +HETATM 35 CB HYP A 6 -5.062 -1.525 2.343 1.00 90.39 C +HETATM 36 CG HYP A 6 -6.483 -1.001 2.265 1.00 89.34 C +HETATM 37 CD HYP A 6 -6.582 -0.503 0.827 1.00 90.72 C +HETATM 38 OD1 HYP A 6 -6.652 0.080 3.146 1.00 88.57 O +ATOM 39 N GLY A 7 -1.935 -1.141 1.270 1.00 91.92 N +ATOM 40 CA GLY A 7 -0.810 -1.824 0.700 1.00 91.26 C +ATOM 41 C GLY A 7 -0.935 -3.330 0.846 1.00 91.41 C +ATOM 42 O GLY A 7 -1.803 -3.838 1.547 1.00 91.64 O +ATOM 43 N PRO A 8 -0.049 -4.044 0.175 1.00 92.54 N +ATOM 44 CA PRO A 8 -0.088 -5.494 0.259 1.00 91.85 C +ATOM 45 C PRO A 8 0.347 -6.000 1.623 1.00 92.22 C +ATOM 46 O PRO A 8 1.050 -5.312 2.364 1.00 90.80 O +ATOM 47 CB PRO A 8 0.855 -5.956 -0.847 1.00 89.42 C +ATOM 48 CG PRO A 8 1.721 -4.795 -1.134 1.00 88.24 C +ATOM 49 CD PRO A 8 0.995 -3.561 -0.712 1.00 90.09 C +HETATM 50 N HYP A 9 -0.085 -7.237 1.940 1.00 91.47 N +HETATM 51 CA HYP A 9 0.286 -7.847 3.169 1.00 92.38 C +HETATM 52 C HYP A 9 1.780 -8.110 3.252 1.00 93.57 C +HETATM 53 O HYP A 9 2.403 -8.481 2.237 1.00 91.89 O +HETATM 54 CB HYP A 9 -0.451 -9.222 3.172 1.00 89.12 C +HETATM 55 CG HYP A 9 -1.592 -9.041 2.237 1.00 87.59 C +HETATM 56 CD HYP A 9 -1.092 -8.052 1.218 1.00 91.30 C +HETATM 57 OD1 HYP A 9 -2.670 -8.472 2.949 1.00 86.00 O +ATOM 58 N GLY A 10 2.412 -7.890 4.354 1.00 90.34 N +ATOM 59 CA GLY A 10 3.752 -8.366 4.591 1.00 88.57 C +ATOM 60 C GLY A 10 3.743 -9.863 4.807 1.00 88.83 C +ATOM 61 O GLY A 10 2.694 -10.490 4.944 1.00 87.87 O +ATOM 62 N TYR A 11 4.950 -10.447 4.860 1.00 91.87 N +ATOM 63 CA TYR A 11 5.025 -11.902 5.025 1.00 92.26 C +ATOM 64 C TYR A 11 4.405 -12.365 6.340 1.00 92.27 C +ATOM 65 O TYR A 11 4.001 -13.517 6.456 1.00 89.68 O +ATOM 66 CB TYR A 11 6.474 -12.371 4.894 1.00 91.52 C +ATOM 67 CG TYR A 11 7.369 -12.010 6.058 1.00 87.97 C +ATOM 68 CD1 TYR A 11 7.936 -10.752 6.166 1.00 84.89 C +ATOM 69 CD2 TYR A 11 7.642 -12.948 7.055 1.00 83.24 C +ATOM 70 CE1 TYR A 11 8.752 -10.428 7.237 1.00 80.91 C +ATOM 71 CE2 TYR A 11 8.463 -12.626 8.132 1.00 80.86 C +ATOM 72 CZ TYR A 11 9.018 -11.368 8.213 1.00 82.71 C +ATOM 73 OH TYR A 11 9.823 -11.041 9.289 1.00 83.14 O +ATOM 74 N ARG A 12 4.356 -11.497 7.313 1.00 90.70 N +ATOM 75 CA ARG A 12 3.774 -11.792 8.619 1.00 91.32 C +ATOM 76 C ARG A 12 2.802 -10.701 9.059 1.00 91.68 C +ATOM 77 O ARG A 12 2.214 -10.817 10.138 1.00 88.41 O +ATOM 78 CB ARG A 12 4.908 -11.913 9.647 1.00 88.39 C +ATOM 79 CG ARG A 12 4.556 -12.704 10.902 1.00 83.74 C +ATOM 80 CD ARG A 12 4.832 -14.184 10.728 1.00 79.64 C +ATOM 81 NE ARG A 12 4.651 -14.923 11.969 1.00 75.04 N +ATOM 82 CZ ARG A 12 3.564 -15.624 12.291 1.00 71.25 C +ATOM 83 NH1 ARG A 12 2.535 -15.678 11.454 1.00 69.17 N +ATOM 84 NH2 ARG A 12 3.509 -16.269 13.440 1.00 66.22 N +ATOM 85 N GLY A 13 2.655 -9.657 8.265 1.00 93.60 N +ATOM 86 CA GLY A 13 1.952 -8.462 8.687 1.00 92.80 C +ATOM 87 C GLY A 13 0.696 -8.146 7.910 1.00 93.14 C +ATOM 88 O GLY A 13 0.405 -8.771 6.889 1.00 92.85 O +ATOM 89 N PRO A 14 -0.037 -7.181 8.405 1.00 93.81 N +ATOM 90 CA PRO A 14 -1.277 -6.766 7.772 1.00 93.67 C +ATOM 91 C PRO A 14 -1.025 -5.920 6.537 1.00 93.81 C +ATOM 92 O PRO A 14 0.104 -5.564 6.222 1.00 92.67 O +ATOM 93 CB PRO A 14 -1.962 -5.942 8.866 1.00 92.03 C +ATOM 94 CG PRO A 14 -0.824 -5.327 9.604 1.00 90.74 C +ATOM 95 CD PRO A 14 0.271 -6.362 9.585 1.00 91.83 C +HETATM 96 N HYP A 15 -2.140 -5.605 5.857 1.00 94.58 N +HETATM 97 CA HYP A 15 -2.050 -4.701 4.744 1.00 93.75 C +HETATM 98 C HYP A 15 -1.457 -3.385 5.138 1.00 95.76 C +HETATM 99 O HYP A 15 -1.636 -2.944 6.306 1.00 93.73 O +HETATM 100 CB HYP A 15 -3.530 -4.558 4.327 1.00 90.82 C +HETATM 101 CG HYP A 15 -4.209 -5.829 4.792 1.00 89.05 C +HETATM 102 CD HYP A 15 -3.487 -6.140 6.089 1.00 92.29 C +HETATM 103 OD1 HYP A 15 -4.010 -6.844 3.867 1.00 89.96 O +ATOM 104 N GLY A 16 -0.758 -2.785 4.247 1.00 94.43 N +ATOM 105 CA GLY A 16 -0.213 -1.481 4.516 1.00 93.99 C +ATOM 106 C GLY A 16 -1.309 -0.439 4.641 1.00 94.22 C +ATOM 107 O GLY A 16 -2.481 -0.710 4.386 1.00 93.98 O +ATOM 108 N PRO A 17 -0.913 0.766 5.035 1.00 92.61 N +ATOM 109 CA PRO A 17 -1.884 1.837 5.171 1.00 92.15 C +ATOM 110 C PRO A 17 -2.403 2.292 3.813 1.00 92.41 C +ATOM 111 O PRO A 17 -1.809 2.010 2.780 1.00 91.29 O +ATOM 112 CB PRO A 17 -1.099 2.946 5.870 1.00 90.47 C +ATOM 113 CG PRO A 17 0.310 2.682 5.492 1.00 88.72 C +ATOM 114 CD PRO A 17 0.440 1.197 5.355 1.00 90.42 C +HETATM 115 N HYP A 18 -3.547 2.982 3.839 1.00 92.26 N +HETATM 116 CA HYP A 18 -4.061 3.565 2.646 1.00 91.68 C +HETATM 117 C HYP A 18 -3.087 4.490 1.983 1.00 93.57 C +HETATM 118 O HYP A 18 -2.279 5.141 2.695 1.00 91.73 O +HETATM 119 CB HYP A 18 -5.306 4.328 3.140 1.00 89.06 C +HETATM 120 CG HYP A 18 -5.746 3.552 4.357 1.00 88.21 C +HETATM 121 CD HYP A 18 -4.426 3.154 4.985 1.00 91.41 C +HETATM 122 OD1 HYP A 18 -6.472 2.407 3.969 1.00 89.07 O +ATOM 123 N GLY A 19 -3.073 4.505 0.700 1.00 89.73 N +ATOM 124 CA GLY A 19 -2.218 5.396 -0.030 1.00 88.98 C +ATOM 125 C GLY A 19 -2.575 6.843 0.222 1.00 89.01 C +ATOM 126 O GLY A 19 -3.580 7.155 0.860 1.00 90.00 O +ATOM 127 N PRO A 20 -1.733 7.738 -0.275 1.00 88.73 N +ATOM 128 CA PRO A 20 -1.982 9.154 -0.067 1.00 88.28 C +ATOM 129 C PRO A 20 -3.189 9.625 -0.847 1.00 88.54 C +ATOM 130 O PRO A 20 -3.613 9.005 -1.818 1.00 88.88 O +ATOM 131 CB PRO A 20 -0.700 9.814 -0.569 1.00 85.92 C +ATOM 132 CG PRO A 20 -0.166 8.854 -1.571 1.00 82.95 C +ATOM 133 CD PRO A 20 -0.538 7.496 -1.072 1.00 84.85 C +HETATM 134 N HYP A 21 -3.742 10.722 -0.399 1.00 92.77 N +HETATM 135 CA HYP A 21 -4.817 11.349 -1.104 1.00 90.39 C +HETATM 136 C HYP A 21 -4.439 11.761 -2.506 1.00 92.79 C +HETATM 137 O HYP A 21 -3.267 12.136 -2.725 1.00 92.74 O +HETATM 138 CB HYP A 21 -5.164 12.574 -0.247 1.00 89.07 C +HETATM 139 CG HYP A 21 -4.690 12.219 1.143 1.00 86.89 C +HETATM 140 CD HYP A 21 -3.440 11.417 0.875 1.00 91.11 C +HETATM 141 OD1 HYP A 21 -5.647 11.378 1.782 1.00 86.80 O +ATOM 142 N GLY A 22 -5.292 11.590 -3.435 1.00 89.83 N +ATOM 143 CA GLY A 22 -5.060 12.094 -4.760 1.00 87.59 C +ATOM 144 C GLY A 22 -5.118 13.613 -4.773 1.00 87.10 C +ATOM 145 O GLY A 22 -5.326 14.245 -3.737 1.00 87.19 O +ATOM 146 N PRO A 23 -4.954 14.218 -5.940 1.00 91.02 N +ATOM 147 CA PRO A 23 -5.078 15.668 -6.034 1.00 90.18 C +ATOM 148 C PRO A 23 -6.456 16.116 -5.595 1.00 89.12 C +ATOM 149 O PRO A 23 -7.415 15.361 -5.667 1.00 85.78 O +ATOM 150 CB PRO A 23 -4.852 15.960 -7.514 1.00 86.85 C +ATOM 151 CG PRO A 23 -4.171 14.750 -8.038 1.00 85.24 C +ATOM 152 CD PRO A 23 -4.667 13.609 -7.220 1.00 87.89 C +HETATM 153 N HYP A 24 -6.609 17.301 -5.140 1.00 92.68 N +HETATM 154 CA HYP A 24 -7.937 17.674 -4.685 1.00 85.70 C +HETATM 155 C HYP A 24 -9.009 16.953 -5.418 1.00 89.96 C +HETATM 156 O HYP A 24 -10.099 17.460 -5.620 1.00 86.39 O +HETATM 157 CB HYP A 24 -7.944 19.161 -4.678 1.00 87.51 C +HETATM 158 CG HYP A 24 -6.487 19.578 -4.613 1.00 87.88 C +HETATM 159 CD HYP A 24 -5.724 18.437 -5.308 1.00 89.95 C +HETATM 160 OD1 HYP A 24 -6.046 19.629 -3.253 1.00 86.45 O +HETATM 161 OXT HYP A 24 -8.799 15.863 -5.862 1.00 86.05 O +TER 162 HYP A 24 +END diff --git a/protein_pdb_25.txt b/protein_pdb_25.txt new file mode 100644 index 0000000000000000000000000000000000000000..89ca0d6d14c3b637d013cbb9ac7f2ac2ec90f75f --- /dev/null +++ b/protein_pdb_25.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 33.316 -6.616 9.763 1.00 82.24 N +ATOM 2 CA GLY A 1 33.022 -6.649 8.338 1.00 86.00 C +ATOM 3 C GLY A 1 32.099 -5.523 7.931 1.00 86.80 C +ATOM 4 O GLY A 1 31.556 -4.819 8.789 1.00 83.84 O +ATOM 5 N PRO A 2 31.905 -5.324 6.655 1.00 83.91 N +ATOM 6 CA PRO A 2 31.021 -4.261 6.181 1.00 88.07 C +ATOM 7 C PRO A 2 29.563 -4.573 6.484 1.00 87.91 C +ATOM 8 O PRO A 2 29.195 -5.718 6.738 1.00 86.11 O +ATOM 9 CB PRO A 2 31.278 -4.222 4.676 1.00 85.42 C +ATOM 10 CG PRO A 2 31.683 -5.627 4.351 1.00 81.51 C +ATOM 11 CD PRO A 2 32.469 -6.102 5.548 1.00 82.15 C +HETATM 12 N HYP A 3 28.812 -3.588 6.495 1.00 85.97 N +HETATM 13 CA HYP A 3 27.339 -3.736 6.627 1.00 86.75 C +HETATM 14 C HYP A 3 26.778 -4.634 5.581 1.00 86.17 C +HETATM 15 O HYP A 3 27.290 -4.697 4.451 1.00 87.28 O +HETATM 16 CB HYP A 3 26.839 -2.330 6.570 1.00 83.07 C +HETATM 17 CG HYP A 3 28.009 -1.485 7.053 1.00 83.33 C +HETATM 18 CD HYP A 3 29.196 -2.224 6.418 1.00 85.75 C +HETATM 19 OD1 HYP A 3 28.143 -1.536 8.440 1.00 87.79 O +ATOM 20 N GLY A 4 25.717 -5.381 5.927 1.00 90.34 N +ATOM 21 CA GLY A 4 25.066 -6.257 4.984 1.00 89.45 C +ATOM 22 C GLY A 4 24.347 -5.471 3.900 1.00 88.82 C +ATOM 23 O GLY A 4 24.223 -4.244 3.977 1.00 87.33 O +ATOM 24 N PRO A 5 23.862 -6.166 2.883 1.00 90.31 N +ATOM 25 CA PRO A 5 23.155 -5.494 1.803 1.00 89.67 C +ATOM 26 C PRO A 5 21.807 -4.953 2.265 1.00 89.50 C +ATOM 27 O PRO A 5 21.256 -5.402 3.262 1.00 88.18 O +ATOM 28 CB PRO A 5 22.981 -6.591 0.752 1.00 87.89 C +ATOM 29 CG PRO A 5 22.955 -7.850 1.564 1.00 86.58 C +ATOM 30 CD PRO A 5 23.919 -7.609 2.696 1.00 87.63 C +HETATM 31 N HYP A 6 21.333 -3.990 1.552 1.00 86.47 N +HETATM 32 CA HYP A 6 19.972 -3.482 1.821 1.00 89.55 C +HETATM 33 C HYP A 6 18.949 -4.587 1.727 1.00 88.29 C +HETATM 34 O HYP A 6 19.117 -5.545 0.946 1.00 87.99 O +HETATM 35 CB HYP A 6 19.795 -2.454 0.693 1.00 86.96 C +HETATM 36 CG HYP A 6 21.198 -1.993 0.383 1.00 83.97 C +HETATM 37 CD HYP A 6 22.006 -3.285 0.523 1.00 86.14 C +HETATM 38 OD1 HYP A 6 21.642 -1.059 1.337 1.00 86.12 O +ATOM 39 N GLY A 7 17.892 -4.465 2.542 1.00 91.51 N +ATOM 40 CA GLY A 7 16.812 -5.416 2.506 1.00 90.26 C +ATOM 41 C GLY A 7 16.013 -5.305 1.223 1.00 90.30 C +ATOM 42 O GLY A 7 16.199 -4.378 0.433 1.00 89.30 O +ATOM 43 N PRO A 8 15.102 -6.236 1.005 1.00 87.90 N +ATOM 44 CA PRO A 8 14.279 -6.204 -0.197 1.00 87.66 C +ATOM 45 C PRO A 8 13.271 -5.066 -0.144 1.00 87.81 C +ATOM 46 O PRO A 8 12.963 -4.543 0.919 1.00 85.55 O +ATOM 47 CB PRO A 8 13.586 -7.565 -0.193 1.00 85.36 C +ATOM 48 CG PRO A 8 13.514 -7.916 1.252 1.00 85.20 C +ATOM 49 CD PRO A 8 14.780 -7.373 1.860 1.00 85.92 C +HETATM 50 N HYP A 9 12.754 -4.668 -1.287 1.00 87.88 N +HETATM 51 CA HYP A 9 11.678 -3.691 -1.331 1.00 89.79 C +HETATM 52 C HYP A 9 10.516 -4.137 -0.516 1.00 88.89 C +HETATM 53 O HYP A 9 10.251 -5.354 -0.389 1.00 88.72 O +HETATM 54 CB HYP A 9 11.364 -3.692 -2.872 1.00 88.46 C +HETATM 55 CG HYP A 9 12.666 -4.042 -3.510 1.00 86.66 C +HETATM 56 CD HYP A 9 13.239 -5.082 -2.561 1.00 88.79 C +HETATM 57 OD1 HYP A 9 13.547 -2.916 -3.532 1.00 86.19 O +ATOM 58 N GLY A 10 9.768 -3.156 0.022 1.00 90.80 N +ATOM 59 CA GLY A 10 8.574 -3.450 0.779 1.00 89.35 C +ATOM 60 C GLY A 10 7.500 -4.079 -0.087 1.00 89.74 C +ATOM 61 O GLY A 10 7.611 -4.110 -1.315 1.00 88.39 O +ATOM 62 N PRO A 11 6.444 -4.585 0.541 1.00 89.24 N +ATOM 63 CA PRO A 11 5.364 -5.219 -0.210 1.00 88.98 C +ATOM 64 C PRO A 11 4.563 -4.193 -1.005 1.00 89.24 C +ATOM 65 O PRO A 11 4.555 -3.011 -0.682 1.00 86.99 O +ATOM 66 CB PRO A 11 4.518 -5.870 0.871 1.00 87.15 C +ATOM 67 CG PRO A 11 4.747 -5.015 2.066 1.00 87.18 C +ATOM 68 CD PRO A 11 6.193 -4.592 1.985 1.00 87.55 C +HETATM 69 N HYP A 12 3.885 -4.630 -2.014 1.00 90.07 N +HETATM 70 CA HYP A 12 2.963 -3.768 -2.759 1.00 88.48 C +HETATM 71 C HYP A 12 1.887 -3.216 -1.857 1.00 91.35 C +HETATM 72 O HYP A 12 1.519 -3.842 -0.842 1.00 89.53 O +HETATM 73 CB HYP A 12 2.345 -4.822 -3.755 1.00 87.56 C +HETATM 74 CG HYP A 12 3.420 -5.830 -3.937 1.00 84.93 C +HETATM 75 CD HYP A 12 4.010 -5.941 -2.557 1.00 89.26 C +HETATM 76 OD1 HYP A 12 4.441 -5.361 -4.805 1.00 87.35 O +ATOM 77 N GLY A 13 1.418 -2.032 -2.189 1.00 92.12 N +ATOM 78 CA GLY A 13 0.350 -1.434 -1.434 1.00 90.67 C +ATOM 79 C GLY A 13 -0.938 -2.233 -1.568 1.00 91.21 C +ATOM 80 O GLY A 13 -1.034 -3.149 -2.384 1.00 90.87 O +ATOM 81 N PRO A 14 -1.935 -1.878 -0.767 1.00 90.73 N +ATOM 82 CA PRO A 14 -3.208 -2.590 -0.834 1.00 90.97 C +ATOM 83 C PRO A 14 -3.955 -2.262 -2.118 1.00 91.02 C +ATOM 84 O PRO A 14 -3.710 -1.241 -2.746 1.00 89.28 O +ATOM 85 CB PRO A 14 -3.954 -2.085 0.401 1.00 89.60 C +ATOM 86 CG PRO A 14 -3.401 -0.724 0.621 1.00 88.98 C +ATOM 87 CD PRO A 14 -1.942 -0.827 0.248 1.00 89.98 C +HETATM 88 N HYP A 15 -4.893 -3.123 -2.515 1.00 86.98 N +HETATM 89 CA HYP A 15 -5.742 -2.831 -3.629 1.00 89.95 C +HETATM 90 C HYP A 15 -6.539 -1.547 -3.435 1.00 86.75 C +HETATM 91 O HYP A 15 -6.845 -1.167 -2.302 1.00 88.19 O +HETATM 92 CB HYP A 15 -6.694 -4.061 -3.629 1.00 85.98 C +HETATM 93 CG HYP A 15 -5.859 -5.139 -3.039 1.00 82.95 C +HETATM 94 CD HYP A 15 -5.096 -4.414 -1.970 1.00 87.35 C +HETATM 95 OD1 HYP A 15 -4.931 -5.655 -3.968 1.00 88.44 O +ATOM 96 N GLY A 16 -6.794 -0.859 -4.511 1.00 90.54 N +ATOM 97 CA GLY A 16 -7.573 0.344 -4.442 1.00 88.69 C +ATOM 98 C GLY A 16 -9.000 0.054 -3.994 1.00 89.73 C +ATOM 99 O GLY A 16 -9.427 -1.106 -3.950 1.00 89.53 O +ATOM 100 N PRO A 17 -9.739 1.107 -3.674 1.00 86.52 N +ATOM 101 CA PRO A 17 -11.120 0.913 -3.240 1.00 87.76 C +ATOM 102 C PRO A 17 -12.006 0.482 -4.395 1.00 87.32 C +ATOM 103 O PRO A 17 -11.680 0.690 -5.559 1.00 86.11 O +ATOM 104 CB PRO A 17 -11.514 2.290 -2.708 1.00 86.04 C +ATOM 105 CG PRO A 17 -10.663 3.224 -3.488 1.00 83.80 C +ATOM 106 CD PRO A 17 -9.349 2.510 -3.678 1.00 85.11 C +HETATM 107 N HYP A 18 -13.138 -0.124 -4.109 1.00 85.25 N +HETATM 108 CA HYP A 18 -14.122 -0.443 -5.103 1.00 90.27 C +HETATM 109 C HYP A 18 -14.561 0.765 -5.880 1.00 86.15 C +HETATM 110 O HYP A 18 -14.558 1.892 -5.363 1.00 88.93 O +HETATM 111 CB HYP A 18 -15.260 -1.018 -4.284 1.00 88.19 C +HETATM 112 CG HYP A 18 -14.582 -1.602 -3.101 1.00 84.21 C +HETATM 113 CD HYP A 18 -13.481 -0.602 -2.830 1.00 86.79 C +HETATM 114 OD1 HYP A 18 -13.985 -2.850 -3.397 1.00 89.42 O +ATOM 115 N GLY A 19 -14.884 0.577 -7.147 1.00 89.62 N +ATOM 116 CA GLY A 19 -15.376 1.650 -7.965 1.00 88.36 C +ATOM 117 C GLY A 19 -16.724 2.151 -7.478 1.00 88.42 C +ATOM 118 O GLY A 19 -17.346 1.547 -6.594 1.00 87.23 O +ATOM 119 N PRO A 20 -17.195 3.248 -8.050 1.00 82.81 N +ATOM 120 CA PRO A 20 -18.479 3.797 -7.642 1.00 83.08 C +ATOM 121 C PRO A 20 -19.630 2.920 -8.097 1.00 82.31 C +ATOM 122 O PRO A 20 -19.487 2.093 -8.989 1.00 80.81 O +ATOM 123 CB PRO A 20 -18.499 5.162 -8.328 1.00 79.98 C +ATOM 124 CG PRO A 20 -17.656 4.963 -9.539 1.00 76.50 C +ATOM 125 CD PRO A 20 -16.559 4.025 -9.111 1.00 78.48 C +HETATM 126 N HYP A 21 -20.810 3.060 -7.507 1.00 89.16 N +HETATM 127 CA HYP A 21 -21.973 2.366 -7.908 1.00 89.49 C +HETATM 128 C HYP A 21 -22.342 2.608 -9.360 1.00 90.49 C +HETATM 129 O HYP A 21 -22.051 3.684 -9.883 1.00 89.14 O +HETATM 130 CB HYP A 21 -23.067 2.948 -7.002 1.00 89.53 C +HETATM 131 CG HYP A 21 -22.330 3.367 -5.775 1.00 87.68 C +HETATM 132 CD HYP A 21 -21.018 3.884 -6.352 1.00 89.61 C +HETATM 133 OD1 HYP A 21 -22.044 2.257 -4.942 1.00 88.03 O +ATOM 134 N GLY A 22 -22.925 1.654 -10.017 1.00 85.04 N +ATOM 135 CA GLY A 22 -23.360 1.816 -11.377 1.00 83.28 C +ATOM 136 C GLY A 22 -24.431 2.891 -11.495 1.00 82.20 C +ATOM 137 O GLY A 22 -24.965 3.368 -10.494 1.00 80.11 O +ATOM 138 N PRO A 23 -24.774 3.258 -12.725 1.00 81.63 N +ATOM 139 CA PRO A 23 -25.785 4.292 -12.929 1.00 82.98 C +ATOM 140 C PRO A 23 -27.165 3.787 -12.557 1.00 82.14 C +ATOM 141 O PRO A 23 -27.420 2.584 -12.531 1.00 78.22 O +ATOM 142 CB PRO A 23 -25.672 4.607 -14.416 1.00 77.53 C +ATOM 143 CG PRO A 23 -25.192 3.333 -15.009 1.00 72.37 C +ATOM 144 CD PRO A 23 -24.258 2.745 -13.993 1.00 72.88 C +HETATM 145 N HYP A 24 -28.094 4.648 -12.301 1.00 85.29 N +HETATM 146 CA HYP A 24 -29.432 4.187 -12.044 1.00 85.01 C +HETATM 147 C HYP A 24 -29.967 3.569 -13.331 1.00 85.56 C +HETATM 148 O HYP A 24 -30.600 2.590 -13.210 1.00 82.86 O +HETATM 149 CB HYP A 24 -30.230 5.519 -11.835 1.00 86.59 C +HETATM 150 CG HYP A 24 -29.222 6.537 -11.442 1.00 86.16 C +HETATM 151 CD HYP A 24 -27.940 6.073 -12.137 1.00 84.67 C +HETATM 152 OD1 HYP A 24 -29.005 6.446 -10.050 1.00 81.81 O +HETATM 153 OXT HYP A 24 -29.678 4.136 -14.412 1.00 78.57 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_250.txt b/protein_pdb_250.txt new file mode 100644 index 0000000000000000000000000000000000000000..051c81f33db16d09287465c78ab3b41e12fb0c40 --- /dev/null +++ b/protein_pdb_250.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 5.961 -11.266 5.523 1.00 85.24 N +ATOM 2 CA GLY A 1 5.046 -11.129 4.444 1.00 85.50 C +ATOM 3 C GLY A 1 5.441 -10.109 3.399 1.00 86.40 C +ATOM 4 O GLY A 1 6.420 -9.379 3.563 1.00 83.85 O +ATOM 5 N PRO A 2 4.682 -10.046 2.354 1.00 87.61 N +ATOM 6 CA PRO A 2 4.962 -9.126 1.272 1.00 87.87 C +ATOM 7 C PRO A 2 4.582 -7.701 1.626 1.00 88.11 C +ATOM 8 O PRO A 2 3.899 -7.451 2.614 1.00 85.35 O +ATOM 9 CB PRO A 2 4.086 -9.663 0.141 1.00 83.88 C +ATOM 10 CG PRO A 2 2.936 -10.261 0.859 1.00 80.95 C +ATOM 11 CD PRO A 2 3.514 -10.873 2.100 1.00 83.08 C +HETATM 12 N HYP A 3 5.025 -6.802 0.779 1.00 87.07 N +HETATM 13 CA HYP A 3 4.679 -5.406 0.988 1.00 88.35 C +HETATM 14 C HYP A 3 3.182 -5.186 0.890 1.00 90.17 C +HETATM 15 O HYP A 3 2.479 -5.959 0.195 1.00 92.14 O +HETATM 16 CB HYP A 3 5.357 -4.744 -0.272 1.00 88.23 C +HETATM 17 CG HYP A 3 6.492 -5.676 -0.635 1.00 85.08 C +HETATM 18 CD HYP A 3 5.893 -7.089 -0.325 1.00 87.72 C +HETATM 19 OD1 HYP A 3 7.548 -5.436 0.236 1.00 87.53 O +ATOM 20 N GLY A 4 2.716 -4.248 1.644 1.00 91.54 N +ATOM 21 CA GLY A 4 1.319 -3.926 1.601 1.00 90.95 C +ATOM 22 C GLY A 4 0.931 -3.319 0.270 1.00 91.82 C +ATOM 23 O GLY A 4 1.780 -3.022 -0.570 1.00 91.65 O +ATOM 24 N PRO A 5 -0.363 -3.125 0.075 1.00 89.81 N +ATOM 25 CA PRO A 5 -0.838 -2.544 -1.170 1.00 89.77 C +ATOM 26 C PRO A 5 -0.511 -1.068 -1.255 1.00 89.50 C +ATOM 27 O PRO A 5 -0.188 -0.430 -0.258 1.00 87.93 O +ATOM 28 CB PRO A 5 -2.346 -2.779 -1.101 1.00 87.37 C +ATOM 29 CG PRO A 5 -2.633 -2.746 0.356 1.00 85.93 C +ATOM 30 CD PRO A 5 -1.450 -3.404 1.002 1.00 88.76 C +HETATM 31 N HYP A 6 -0.576 -0.567 -2.487 1.00 89.77 N +HETATM 32 CA HYP A 6 -0.432 0.870 -2.659 1.00 93.25 C +HETATM 33 C HYP A 6 -1.408 1.639 -1.841 1.00 92.09 C +HETATM 34 O HYP A 6 -2.542 1.138 -1.586 1.00 91.73 O +HETATM 35 CB HYP A 6 -0.705 1.010 -4.180 1.00 87.69 C +HETATM 36 CG HYP A 6 -0.310 -0.319 -4.787 1.00 86.12 C +HETATM 37 CD HYP A 6 -0.788 -1.306 -3.727 1.00 89.92 C +HETATM 38 OD1 HYP A 6 1.096 -0.395 -4.883 1.00 88.24 O +ATOM 39 N GLY A 7 -0.997 2.767 -1.370 1.00 91.21 N +ATOM 40 CA GLY A 7 -1.864 3.611 -0.610 1.00 89.86 C +ATOM 41 C GLY A 7 -3.046 4.081 -1.432 1.00 90.10 C +ATOM 42 O GLY A 7 -3.120 3.864 -2.645 1.00 89.47 O +ATOM 43 N PRO A 8 -3.978 4.732 -0.773 1.00 90.60 N +ATOM 44 CA PRO A 8 -5.169 5.192 -1.474 1.00 90.06 C +ATOM 45 C PRO A 8 -4.848 6.332 -2.421 1.00 89.81 C +ATOM 46 O PRO A 8 -3.924 7.101 -2.209 1.00 87.80 O +ATOM 47 CB PRO A 8 -6.087 5.650 -0.354 1.00 87.21 C +ATOM 48 CG PRO A 8 -5.158 6.039 0.734 1.00 86.28 C +ATOM 49 CD PRO A 8 -4.003 5.082 0.637 1.00 88.41 C +HETATM 50 N HYP A 9 -5.651 6.417 -3.468 1.00 87.68 N +HETATM 51 CA HYP A 9 -5.513 7.484 -4.380 1.00 86.59 C +HETATM 52 C HYP A 9 -5.938 8.787 -3.735 1.00 87.49 C +HETATM 53 O HYP A 9 -6.859 8.790 -2.897 1.00 88.50 O +HETATM 54 CB HYP A 9 -6.605 7.114 -5.459 1.00 82.55 C +HETATM 55 CG HYP A 9 -6.852 5.661 -5.345 1.00 81.65 C +HETATM 56 CD HYP A 9 -6.668 5.383 -3.901 1.00 88.54 C +HETATM 57 OD1 HYP A 9 -5.832 4.975 -6.051 1.00 83.16 O +ATOM 58 N GLY A 10 -5.306 9.849 -4.039 1.00 88.40 N +ATOM 59 CA GLY A 10 -5.828 11.138 -3.660 1.00 85.20 C +ATOM 60 C GLY A 10 -7.011 11.482 -4.545 1.00 85.66 C +ATOM 61 O GLY A 10 -7.331 10.768 -5.491 1.00 82.98 O +ATOM 62 N LEU A 11 -7.648 12.587 -4.232 1.00 86.24 N +ATOM 63 CA LEU A 11 -8.709 13.041 -5.123 1.00 88.73 C +ATOM 64 C LEU A 11 -8.146 13.253 -6.516 1.00 88.37 C +ATOM 65 O LEU A 11 -8.809 12.974 -7.512 1.00 85.71 O +ATOM 66 CB LEU A 11 -9.326 14.328 -4.596 1.00 86.84 C +ATOM 67 CG LEU A 11 -10.084 14.182 -3.278 1.00 81.40 C +ATOM 68 CD1 LEU A 11 -10.636 15.525 -2.855 1.00 80.76 C +ATOM 69 CD2 LEU A 11 -11.198 13.159 -3.392 1.00 76.65 C +ATOM 70 N VAL A 12 -6.920 13.732 -6.556 1.00 87.44 N +ATOM 71 CA VAL A 12 -6.138 13.847 -7.778 1.00 89.08 C +ATOM 72 C VAL A 12 -4.726 13.448 -7.400 1.00 88.95 C +ATOM 73 O VAL A 12 -4.121 14.064 -6.529 1.00 85.32 O +ATOM 74 CB VAL A 12 -6.148 15.280 -8.347 1.00 85.21 C +ATOM 75 CG1 VAL A 12 -5.263 15.354 -9.577 1.00 78.79 C +ATOM 76 CG2 VAL A 12 -7.562 15.715 -8.689 1.00 78.80 C +ATOM 77 N GLY A 13 -4.203 12.412 -8.043 1.00 91.56 N +ATOM 78 CA GLY A 13 -2.856 12.000 -7.746 1.00 90.80 C +ATOM 79 C GLY A 13 -2.724 10.497 -7.709 1.00 91.81 C +ATOM 80 O GLY A 13 -3.714 9.774 -7.670 1.00 91.80 O +ATOM 81 N PRO A 14 -1.493 10.028 -7.735 1.00 91.63 N +ATOM 82 CA PRO A 14 -1.239 8.597 -7.764 1.00 91.37 C +ATOM 83 C PRO A 14 -1.483 7.940 -6.422 1.00 91.82 C +ATOM 84 O PRO A 14 -1.548 8.600 -5.391 1.00 90.16 O +ATOM 85 CB PRO A 14 0.236 8.517 -8.153 1.00 89.05 C +ATOM 86 CG PRO A 14 0.814 9.752 -7.566 1.00 88.59 C +ATOM 87 CD PRO A 14 -0.253 10.800 -7.737 1.00 90.03 C +HETATM 88 N HYP A 15 -1.574 6.668 -6.505 1.00 90.48 N +HETATM 89 CA HYP A 15 -1.664 5.872 -5.290 1.00 92.25 C +HETATM 90 C HYP A 15 -0.417 6.044 -4.467 1.00 93.05 C +HETATM 91 O HYP A 15 0.669 6.361 -5.021 1.00 92.02 O +HETATM 92 CB HYP A 15 -1.749 4.443 -5.869 1.00 90.01 C +HETATM 93 CG HYP A 15 -2.304 4.619 -7.286 1.00 87.76 C +HETATM 94 CD HYP A 15 -1.653 5.889 -7.740 1.00 90.66 C +HETATM 95 OD1 HYP A 15 -3.687 4.790 -7.256 1.00 88.61 O +ATOM 96 N GLY A 16 -0.545 5.878 -3.209 1.00 92.84 N +ATOM 97 CA GLY A 16 0.603 5.910 -2.355 1.00 92.19 C +ATOM 98 C GLY A 16 1.504 4.713 -2.597 1.00 92.63 C +ATOM 99 O GLY A 16 1.166 3.807 -3.358 1.00 92.30 O +ATOM 100 N PRO A 17 2.653 4.714 -1.941 1.00 92.02 N +ATOM 101 CA PRO A 17 3.583 3.613 -2.101 1.00 91.56 C +ATOM 102 C PRO A 17 3.077 2.351 -1.427 1.00 92.22 C +ATOM 103 O PRO A 17 2.192 2.401 -0.576 1.00 90.58 O +ATOM 104 CB PRO A 17 4.856 4.127 -1.437 1.00 89.57 C +ATOM 105 CG PRO A 17 4.349 5.061 -0.401 1.00 88.68 C +ATOM 106 CD PRO A 17 3.148 5.717 -1.011 1.00 90.16 C +HETATM 107 N HYP A 18 3.656 1.224 -1.841 1.00 85.25 N +HETATM 108 CA HYP A 18 3.365 0.005 -1.159 1.00 90.47 C +HETATM 109 C HYP A 18 3.667 0.102 0.302 1.00 90.35 C +HETATM 110 O HYP A 18 4.593 0.833 0.721 1.00 89.15 O +HETATM 111 CB HYP A 18 4.283 -1.012 -1.870 1.00 87.26 C +HETATM 112 CG HYP A 18 4.465 -0.452 -3.260 1.00 84.35 C +HETATM 113 CD HYP A 18 4.529 1.039 -3.003 1.00 89.70 C +HETATM 114 OD1 HYP A 18 3.329 -0.745 -4.054 1.00 88.02 O +ATOM 115 N GLY A 19 2.879 -0.563 1.083 1.00 86.32 N +ATOM 116 CA GLY A 19 3.115 -0.607 2.496 1.00 85.76 C +ATOM 117 C GLY A 19 4.397 -1.344 2.815 1.00 85.72 C +ATOM 118 O GLY A 19 5.033 -1.939 1.949 1.00 86.33 O +ATOM 119 N PRO A 20 4.791 -1.304 4.074 1.00 83.71 N +ATOM 120 CA PRO A 20 5.994 -2.000 4.481 1.00 83.08 C +ATOM 121 C PRO A 20 5.807 -3.507 4.415 1.00 83.11 C +ATOM 122 O PRO A 20 4.684 -4.001 4.399 1.00 83.24 O +ATOM 123 CB PRO A 20 6.209 -1.528 5.914 1.00 80.48 C +ATOM 124 CG PRO A 20 4.832 -1.215 6.386 1.00 79.17 C +ATOM 125 CD PRO A 20 4.121 -0.654 5.194 1.00 81.24 C +HETATM 126 N HYP A 21 6.937 -4.190 4.368 1.00 88.46 N +HETATM 127 CA HYP A 21 6.855 -5.627 4.403 1.00 86.39 C +HETATM 128 C HYP A 21 6.155 -6.137 5.635 1.00 87.49 C +HETATM 129 O HYP A 21 6.278 -5.535 6.706 1.00 90.40 O +HETATM 130 CB HYP A 21 8.327 -6.064 4.382 1.00 84.24 C +HETATM 131 CG HYP A 21 9.064 -4.938 3.724 1.00 78.41 C +HETATM 132 CD HYP A 21 8.321 -3.709 4.217 1.00 88.05 C +HETATM 133 OD1 HYP A 21 8.891 -5.019 2.306 1.00 83.06 O +ATOM 134 N GLY A 22 5.344 -7.127 5.446 1.00 85.24 N +ATOM 135 CA GLY A 22 4.685 -7.742 6.559 1.00 82.28 C +ATOM 136 C GLY A 22 5.685 -8.463 7.444 1.00 82.20 C +ATOM 137 O GLY A 22 6.867 -8.550 7.126 1.00 81.95 O +ATOM 138 N PRO A 23 5.226 -9.007 8.564 1.00 86.13 N +ATOM 139 CA PRO A 23 6.116 -9.754 9.442 1.00 86.28 C +ATOM 140 C PRO A 23 6.492 -11.066 8.771 1.00 84.84 C +ATOM 141 O PRO A 23 5.636 -11.921 8.547 1.00 81.20 O +ATOM 142 CB PRO A 23 5.280 -9.967 10.693 1.00 82.19 C +ATOM 143 CG PRO A 23 3.880 -9.927 10.207 1.00 78.68 C +ATOM 144 CD PRO A 23 3.869 -8.961 9.057 1.00 81.43 C +HETATM 145 N HYP A 24 7.580 -11.255 8.270 1.00 92.29 N +HETATM 146 CA HYP A 24 8.004 -12.153 7.109 1.00 84.51 C +HETATM 147 C HYP A 24 7.398 -12.141 5.943 1.00 88.86 C +HETATM 148 O HYP A 24 8.006 -11.714 4.861 1.00 87.72 O +HETATM 149 CB HYP A 24 9.262 -12.799 7.503 1.00 84.24 C +HETATM 150 CG HYP A 24 9.540 -12.330 8.931 1.00 84.96 C +HETATM 151 CD HYP A 24 8.337 -11.477 9.376 1.00 89.48 C +HETATM 152 OD1 HYP A 24 10.685 -11.494 8.997 1.00 85.61 O +HETATM 153 OXT HYP A 24 6.692 -13.265 5.583 1.00 85.36 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_251.txt b/protein_pdb_251.txt new file mode 100644 index 0000000000000000000000000000000000000000..72d82cdd6eef786b313c29363d4e7f8b6a8e403f --- /dev/null +++ b/protein_pdb_251.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 2.993 -0.630 5.845 1.00 84.64 N +ATOM 2 CA GLY A 1 3.541 -1.286 4.673 1.00 86.21 C +ATOM 3 C GLY A 1 3.746 -0.302 3.553 1.00 86.40 C +ATOM 4 O GLY A 1 3.382 0.870 3.671 1.00 83.40 O +ATOM 5 N PRO A 2 4.326 -0.750 2.433 1.00 86.34 N +ATOM 6 CA PRO A 2 4.573 0.141 1.312 1.00 87.25 C +ATOM 7 C PRO A 2 3.281 0.510 0.601 1.00 87.83 C +ATOM 8 O PRO A 2 2.271 -0.169 0.736 1.00 85.61 O +ATOM 9 CB PRO A 2 5.481 -0.694 0.404 1.00 83.93 C +ATOM 10 CG PRO A 2 5.062 -2.095 0.683 1.00 82.53 C +ATOM 11 CD PRO A 2 4.741 -2.115 2.151 1.00 83.52 C +HETATM 12 N HYP A 3 3.297 1.599 -0.143 1.00 84.45 N +HETATM 13 CA HYP A 3 2.186 1.963 -0.962 1.00 84.48 C +HETATM 14 C HYP A 3 1.829 0.809 -1.936 1.00 88.78 C +HETATM 15 O HYP A 3 2.700 0.039 -2.381 1.00 86.83 O +HETATM 16 CB HYP A 3 2.693 3.209 -1.696 1.00 80.56 C +HETATM 17 CG HYP A 3 3.643 3.831 -0.730 1.00 77.35 C +HETATM 18 CD HYP A 3 4.348 2.604 -0.184 1.00 83.59 C +HETATM 19 OD1 HYP A 3 2.949 4.485 0.306 1.00 81.62 O +ATOM 20 N GLY A 4 0.555 0.673 -2.149 1.00 88.71 N +ATOM 21 CA GLY A 4 0.101 -0.330 -3.071 1.00 87.77 C +ATOM 22 C GLY A 4 0.553 -0.009 -4.486 1.00 87.70 C +ATOM 23 O GLY A 4 1.164 1.035 -4.734 1.00 87.12 O +ATOM 24 N PRO A 5 0.266 -0.905 -5.401 1.00 89.34 N +ATOM 25 CA PRO A 5 0.662 -0.660 -6.781 1.00 88.89 C +ATOM 26 C PRO A 5 -0.156 0.471 -7.383 1.00 89.10 C +ATOM 27 O PRO A 5 -1.242 0.784 -6.910 1.00 87.39 O +ATOM 28 CB PRO A 5 0.368 -1.990 -7.476 1.00 86.86 C +ATOM 29 CG PRO A 5 -0.756 -2.557 -6.680 1.00 85.85 C +ATOM 30 CD PRO A 5 -0.478 -2.143 -5.259 1.00 87.21 C +HETATM 31 N HYP A 6 0.343 1.026 -8.466 1.00 88.56 N +HETATM 32 CA HYP A 6 -0.365 2.044 -9.139 1.00 89.25 C +HETATM 33 C HYP A 6 -1.677 1.495 -9.712 1.00 89.45 C +HETATM 34 O HYP A 6 -1.718 0.329 -10.148 1.00 89.34 O +HETATM 35 CB HYP A 6 0.571 2.512 -10.238 1.00 86.55 C +HETATM 36 CG HYP A 6 1.924 2.264 -9.643 1.00 85.06 C +HETATM 37 CD HYP A 6 1.732 0.950 -8.912 1.00 89.89 C +HETATM 38 OD1 HYP A 6 2.287 3.267 -8.753 1.00 84.22 O +ATOM 39 N GLY A 7 -2.720 2.242 -9.534 1.00 88.33 N +ATOM 40 CA GLY A 7 -3.995 1.833 -10.059 1.00 86.35 C +ATOM 41 C GLY A 7 -4.022 2.022 -11.562 1.00 86.64 C +ATOM 42 O GLY A 7 -2.994 2.264 -12.195 1.00 86.58 O +ATOM 43 N PRO A 8 -5.202 1.935 -12.150 1.00 86.30 N +ATOM 44 CA PRO A 8 -5.325 2.206 -13.577 1.00 86.05 C +ATOM 45 C PRO A 8 -4.856 3.616 -13.879 1.00 86.22 C +ATOM 46 O PRO A 8 -4.795 4.465 -12.988 1.00 85.43 O +ATOM 47 CB PRO A 8 -6.821 2.057 -13.836 1.00 84.04 C +ATOM 48 CG PRO A 8 -7.301 1.191 -12.728 1.00 84.30 C +ATOM 49 CD PRO A 8 -6.465 1.588 -11.553 1.00 85.26 C +HETATM 50 N HYP A 9 -4.527 3.875 -15.172 1.00 82.39 N +HETATM 51 CA HYP A 9 -4.145 5.159 -15.543 1.00 81.05 C +HETATM 52 C HYP A 9 -4.994 6.220 -15.015 1.00 81.58 C +HETATM 53 O HYP A 9 -6.245 6.066 -15.033 1.00 81.81 O +HETATM 54 CB HYP A 9 -3.956 5.096 -17.069 1.00 79.79 C +HETATM 55 CG HYP A 9 -3.505 3.643 -17.245 1.00 78.42 C +HETATM 56 CD HYP A 9 -4.299 2.894 -16.201 1.00 83.65 C +HETATM 57 OD1 HYP A 9 -2.149 3.488 -16.977 1.00 77.86 O +ATOM 58 N GLY A 10 -4.432 7.237 -14.281 1.00 82.75 N +ATOM 59 CA GLY A 10 -5.146 8.344 -13.685 1.00 80.59 C +ATOM 60 C GLY A 10 -5.651 8.104 -12.274 1.00 80.27 C +ATOM 61 O GLY A 10 -6.204 9.016 -11.671 1.00 78.45 O +ATOM 62 N MET A 11 -5.478 6.909 -11.718 1.00 87.42 N +ATOM 63 CA MET A 11 -5.939 6.597 -10.370 1.00 87.72 C +ATOM 64 C MET A 11 -4.850 5.856 -9.612 1.00 85.81 C +ATOM 65 O MET A 11 -4.403 4.798 -10.035 1.00 81.67 O +ATOM 66 CB MET A 11 -7.198 5.732 -10.414 1.00 84.80 C +ATOM 67 CG MET A 11 -8.367 6.395 -11.103 1.00 79.98 C +ATOM 68 SD MET A 11 -9.904 5.489 -10.875 1.00 76.82 S +ATOM 69 CE MET A 11 -9.488 3.917 -11.579 1.00 71.34 C +ATOM 70 N LYS A 12 -4.434 6.398 -8.480 1.00 81.18 N +ATOM 71 CA LYS A 12 -3.451 5.742 -7.636 1.00 81.48 C +ATOM 72 C LYS A 12 -4.065 4.479 -7.041 1.00 81.02 C +ATOM 73 O LYS A 12 -5.239 4.451 -6.689 1.00 76.62 O +ATOM 74 CB LYS A 12 -3.015 6.699 -6.520 1.00 75.20 C +ATOM 75 CG LYS A 12 -1.828 6.217 -5.718 1.00 71.11 C +ATOM 76 CD LYS A 12 -1.478 7.182 -4.602 1.00 68.10 C +ATOM 77 CE LYS A 12 -0.939 8.507 -5.107 1.00 63.93 C +ATOM 78 NZ LYS A 12 0.498 8.474 -5.385 1.00 60.90 N +ATOM 79 N GLY A 13 -3.248 3.448 -6.928 1.00 86.67 N +ATOM 80 CA GLY A 13 -3.706 2.213 -6.321 1.00 84.71 C +ATOM 81 C GLY A 13 -3.935 2.369 -4.834 1.00 84.83 C +ATOM 82 O GLY A 13 -3.601 3.396 -4.242 1.00 84.56 O +ATOM 83 N PRO A 14 -4.505 1.353 -4.203 1.00 82.30 N +ATOM 84 CA PRO A 14 -4.752 1.414 -2.768 1.00 82.16 C +ATOM 85 C PRO A 14 -3.445 1.343 -1.994 1.00 82.51 C +ATOM 86 O PRO A 14 -2.436 0.865 -2.490 1.00 79.33 O +ATOM 87 CB PRO A 14 -5.620 0.193 -2.505 1.00 79.25 C +ATOM 88 CG PRO A 14 -5.213 -0.773 -3.561 1.00 79.74 C +ATOM 89 CD PRO A 14 -4.926 0.074 -4.774 1.00 79.29 C +HETATM 90 N HYP A 15 -3.498 1.780 -0.777 1.00 82.47 N +HETATM 91 CA HYP A 15 -2.375 1.676 0.112 1.00 72.37 C +HETATM 92 C HYP A 15 -1.974 0.218 0.261 1.00 80.58 C +HETATM 93 O HYP A 15 -2.848 -0.666 0.152 1.00 84.15 O +HETATM 94 CB HYP A 15 -2.928 2.322 1.365 1.00 75.26 C +HETATM 95 CG HYP A 15 -3.970 3.303 0.850 1.00 73.86 C +HETATM 96 CD HYP A 15 -4.602 2.538 -0.272 1.00 81.25 C +HETATM 97 OD1 HYP A 15 -3.357 4.477 0.335 1.00 78.75 O +ATOM 98 N GLY A 16 -0.725 -0.020 0.460 1.00 82.04 N +ATOM 99 CA GLY A 16 -0.273 -1.363 0.723 1.00 79.97 C +ATOM 100 C GLY A 16 -0.767 -1.837 2.076 1.00 80.81 C +ATOM 101 O GLY A 16 -1.353 -1.072 2.845 1.00 81.47 O +ATOM 102 N PRO A 17 -0.521 -3.110 2.384 1.00 79.33 N +ATOM 103 CA PRO A 17 -0.954 -3.635 3.674 1.00 80.25 C +ATOM 104 C PRO A 17 -0.153 -3.010 4.804 1.00 79.52 C +ATOM 105 O PRO A 17 0.954 -2.525 4.604 1.00 79.90 O +ATOM 106 CB PRO A 17 -0.681 -5.134 3.546 1.00 78.64 C +ATOM 107 CG PRO A 17 0.425 -5.223 2.558 1.00 77.28 C +ATOM 108 CD PRO A 17 0.171 -4.109 1.579 1.00 77.76 C +HETATM 109 N HYP A 18 -0.699 -3.055 5.985 1.00 73.57 N +HETATM 110 CA HYP A 18 0.017 -2.591 7.145 1.00 76.65 C +HETATM 111 C HYP A 18 1.332 -3.361 7.281 1.00 74.46 C +HETATM 112 O HYP A 18 1.413 -4.538 6.860 1.00 83.44 O +HETATM 113 CB HYP A 18 -0.963 -2.864 8.241 1.00 72.54 C +HETATM 114 CG HYP A 18 -2.313 -2.794 7.588 1.00 69.57 C +HETATM 115 CD HYP A 18 -2.062 -3.411 6.238 1.00 79.84 C +HETATM 116 OD1 HYP A 18 -2.743 -1.455 7.410 1.00 76.98 O +ATOM 117 N GLY A 19 2.340 -2.706 7.782 1.00 72.33 N +ATOM 118 CA GLY A 19 3.590 -3.368 8.037 1.00 68.78 C +ATOM 119 C GLY A 19 3.417 -4.452 9.085 1.00 68.10 C +ATOM 120 O GLY A 19 2.377 -4.541 9.740 1.00 70.64 O +ATOM 121 N PRO A 20 4.440 -5.270 9.253 1.00 69.43 N +ATOM 122 CA PRO A 20 4.345 -6.337 10.239 1.00 70.06 C +ATOM 123 C PRO A 20 4.357 -5.776 11.653 1.00 69.21 C +ATOM 124 O PRO A 20 4.832 -4.669 11.888 1.00 71.73 O +ATOM 125 CB PRO A 20 5.589 -7.182 9.958 1.00 67.01 C +ATOM 126 CG PRO A 20 6.555 -6.205 9.390 1.00 63.08 C +ATOM 127 CD PRO A 20 5.723 -5.254 8.570 1.00 61.95 C +HETATM 128 N HYP A 21 3.887 -6.533 12.602 1.00 73.15 N +HETATM 129 CA HYP A 21 3.908 -6.164 13.962 1.00 72.96 C +HETATM 130 C HYP A 21 5.338 -5.989 14.463 1.00 71.97 C +HETATM 131 O HYP A 21 6.265 -6.635 13.915 1.00 80.71 O +HETATM 132 CB HYP A 21 3.291 -7.379 14.661 1.00 74.70 C +HETATM 133 CG HYP A 21 2.413 -8.037 13.614 1.00 72.10 C +HETATM 134 CD HYP A 21 3.173 -7.793 12.338 1.00 78.71 C +HETATM 135 OD1 HYP A 21 1.150 -7.351 13.529 1.00 77.83 O +ATOM 136 N GLY A 22 5.570 -5.092 15.366 1.00 76.50 N +ATOM 137 CA GLY A 22 6.866 -4.949 15.971 1.00 74.99 C +ATOM 138 C GLY A 22 7.224 -6.200 16.761 1.00 73.52 C +ATOM 139 O GLY A 22 6.390 -7.084 16.952 1.00 74.61 O +ATOM 140 N PRO A 23 8.455 -6.274 17.243 1.00 83.21 N +ATOM 141 CA PRO A 23 8.851 -7.448 18.006 1.00 84.79 C +ATOM 142 C PRO A 23 8.112 -7.497 19.331 1.00 83.72 C +ATOM 143 O PRO A 23 7.741 -6.468 19.890 1.00 81.92 O +ATOM 144 CB PRO A 23 10.350 -7.259 18.199 1.00 80.58 C +ATOM 145 CG PRO A 23 10.555 -5.795 18.079 1.00 76.45 C +ATOM 146 CD PRO A 23 9.524 -5.315 17.098 1.00 79.62 C +HETATM 147 N HYP A 24 7.949 -8.683 19.920 1.00 86.96 N +HETATM 148 CA HYP A 24 7.206 -8.751 21.134 1.00 84.43 C +HETATM 149 C HYP A 24 7.870 -7.974 22.239 1.00 77.79 C +HETATM 150 O HYP A 24 9.123 -7.935 22.239 1.00 87.95 O +HETATM 151 CB HYP A 24 7.187 -10.282 21.485 1.00 80.13 C +HETATM 152 CG HYP A 24 7.480 -10.981 20.187 1.00 76.03 C +HETATM 153 CD HYP A 24 8.368 -9.985 19.406 1.00 85.55 C +HETATM 154 OD1 HYP A 24 6.263 -11.158 19.480 1.00 79.41 O +HETATM 155 OXT HYP A 24 7.113 -7.417 23.064 1.00 83.98 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_252.txt b/protein_pdb_252.txt new file mode 100644 index 0000000000000000000000000000000000000000..cc9c0bbc490df9d035e35ded451a5e71e3e789b0 --- /dev/null +++ b/protein_pdb_252.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 9.119 -7.792 -8.882 1.00 90.94 N +ATOM 2 CA GLY A 1 8.121 -6.867 -9.329 1.00 92.10 C +ATOM 3 C GLY A 1 8.134 -5.576 -8.543 1.00 93.00 C +ATOM 4 O GLY A 1 8.836 -5.461 -7.543 1.00 91.64 O +ATOM 5 N PRO A 2 7.296 -4.597 -8.941 1.00 92.71 N +ATOM 6 CA PRO A 2 7.251 -3.309 -8.273 1.00 93.47 C +ATOM 7 C PRO A 2 6.499 -3.376 -6.959 1.00 93.61 C +ATOM 8 O PRO A 2 5.767 -4.320 -6.684 1.00 91.90 O +ATOM 9 CB PRO A 2 6.522 -2.428 -9.284 1.00 91.37 C +ATOM 10 CG PRO A 2 5.649 -3.368 -10.013 1.00 88.76 C +ATOM 11 CD PRO A 2 6.429 -4.644 -10.119 1.00 90.92 C +HETATM 12 N HYP A 3 6.702 -2.356 -6.174 1.00 92.57 N +HETATM 13 CA HYP A 3 5.941 -2.240 -4.936 1.00 93.05 C +HETATM 14 C HYP A 3 4.464 -2.139 -5.206 1.00 94.27 C +HETATM 15 O HYP A 3 4.048 -1.632 -6.264 1.00 93.61 O +HETATM 16 CB HYP A 3 6.488 -0.912 -4.353 1.00 90.93 C +HETATM 17 CG HYP A 3 7.883 -0.807 -4.914 1.00 88.08 C +HETATM 18 CD HYP A 3 7.703 -1.341 -6.345 1.00 90.67 C +HETATM 19 OD1 HYP A 3 8.731 -1.651 -4.202 1.00 89.79 O +ATOM 20 N GLY A 4 3.711 -2.681 -4.287 1.00 94.74 N +ATOM 21 CA GLY A 4 2.282 -2.585 -4.387 1.00 94.45 C +ATOM 22 C GLY A 4 1.814 -1.151 -4.243 1.00 95.32 C +ATOM 23 O GLY A 4 2.586 -0.257 -3.889 1.00 95.25 O +ATOM 24 N PRO A 5 0.548 -0.920 -4.510 1.00 94.61 N +ATOM 25 CA PRO A 5 0.009 0.426 -4.409 1.00 94.47 C +ATOM 26 C PRO A 5 -0.140 0.860 -2.960 1.00 94.20 C +ATOM 27 O PRO A 5 -0.116 0.051 -2.043 1.00 93.65 O +ATOM 28 CB PRO A 5 -1.346 0.305 -5.093 1.00 93.46 C +ATOM 29 CG PRO A 5 -1.733 -1.111 -4.878 1.00 92.03 C +ATOM 30 CD PRO A 5 -0.457 -1.892 -4.937 1.00 93.61 C +HETATM 31 N HYP A 6 -0.285 2.182 -2.786 1.00 92.87 N +HETATM 32 CA HYP A 6 -0.541 2.689 -1.473 1.00 95.75 C +HETATM 33 C HYP A 6 -1.782 2.130 -0.861 1.00 94.69 C +HETATM 34 O HYP A 6 -2.742 1.810 -1.588 1.00 94.84 O +HETATM 35 CB HYP A 6 -0.679 4.209 -1.713 1.00 91.06 C +HETATM 36 CG HYP A 6 0.153 4.444 -2.957 1.00 90.50 C +HETATM 37 CD HYP A 6 -0.151 3.218 -3.767 1.00 92.11 C +HETATM 38 OD1 HYP A 6 1.509 4.478 -2.598 1.00 90.36 O +ATOM 39 N GLY A 7 -1.748 1.944 0.407 1.00 95.51 N +ATOM 40 CA GLY A 7 -2.912 1.498 1.118 1.00 95.56 C +ATOM 41 C GLY A 7 -4.020 2.528 1.057 1.00 95.90 C +ATOM 42 O GLY A 7 -3.834 3.649 0.587 1.00 95.87 O +ATOM 43 N PRO A 8 -5.170 2.148 1.535 1.00 95.70 N +ATOM 44 CA PRO A 8 -6.300 3.059 1.498 1.00 95.66 C +ATOM 45 C PRO A 8 -6.142 4.191 2.499 1.00 95.71 C +ATOM 46 O PRO A 8 -5.433 4.074 3.491 1.00 94.61 O +ATOM 47 CB PRO A 8 -7.486 2.169 1.862 1.00 94.54 C +ATOM 48 CG PRO A 8 -6.883 1.107 2.706 1.00 93.31 C +ATOM 49 CD PRO A 8 -5.514 0.864 2.135 1.00 95.07 C +HETATM 50 N HYP A 9 -6.813 5.275 2.229 1.00 93.58 N +HETATM 51 CA HYP A 9 -6.823 6.375 3.128 1.00 95.19 C +HETATM 52 C HYP A 9 -7.497 6.004 4.404 1.00 94.39 C +HETATM 53 O HYP A 9 -8.487 5.270 4.395 1.00 94.28 O +HETATM 54 CB HYP A 9 -7.675 7.436 2.405 1.00 91.48 C +HETATM 55 CG HYP A 9 -7.638 7.056 0.975 1.00 90.21 C +HETATM 56 CD HYP A 9 -7.568 5.578 0.993 1.00 92.58 C +HETATM 57 OD1 HYP A 9 -6.449 7.550 0.395 1.00 91.02 O +ATOM 58 N GLY A 10 -7.014 6.451 5.507 1.00 94.80 N +ATOM 59 CA GLY A 10 -7.739 6.353 6.742 1.00 94.15 C +ATOM 60 C GLY A 10 -8.902 7.323 6.728 1.00 94.84 C +ATOM 61 O GLY A 10 -9.010 8.172 5.844 1.00 94.39 O +ATOM 62 N PRO A 11 -9.773 7.238 7.723 1.00 93.74 N +ATOM 63 CA PRO A 11 -10.885 8.185 7.758 1.00 93.53 C +ATOM 64 C PRO A 11 -10.433 9.636 7.760 1.00 93.77 C +ATOM 65 O PRO A 11 -11.107 10.490 7.191 1.00 91.26 O +ATOM 66 CB PRO A 11 -11.607 7.830 9.054 1.00 92.21 C +ATOM 67 CG PRO A 11 -11.257 6.407 9.293 1.00 91.34 C +ATOM 68 CD PRO A 11 -9.849 6.248 8.788 1.00 92.58 C +ATOM 69 N ASN A 12 -9.310 9.885 8.388 1.00 93.94 N +ATOM 70 CA ASN A 12 -8.797 11.244 8.532 1.00 94.88 C +ATOM 71 C ASN A 12 -7.296 11.304 8.329 1.00 94.44 C +ATOM 72 O ASN A 12 -6.632 12.181 8.880 1.00 92.26 O +ATOM 73 CB ASN A 12 -9.135 11.774 9.932 1.00 93.19 C +ATOM 74 CG ASN A 12 -10.599 11.674 10.248 1.00 87.91 C +ATOM 75 OD1 ASN A 12 -11.019 10.807 11.012 1.00 85.56 O +ATOM 76 ND2 ASN A 12 -11.395 12.549 9.658 1.00 82.45 N +ATOM 77 N GLY A 13 -6.741 10.402 7.566 1.00 94.22 N +ATOM 78 CA GLY A 13 -5.303 10.318 7.468 1.00 93.40 C +ATOM 79 C GLY A 13 -4.817 9.976 6.082 1.00 94.31 C +ATOM 80 O GLY A 13 -5.604 9.781 5.158 1.00 94.15 O +ATOM 81 N PRO A 14 -3.516 9.904 5.937 1.00 94.23 N +ATOM 82 CA PRO A 14 -2.912 9.639 4.647 1.00 94.07 C +ATOM 83 C PRO A 14 -3.087 8.189 4.225 1.00 94.12 C +ATOM 84 O PRO A 14 -3.453 7.330 5.014 1.00 93.25 O +ATOM 85 CB PRO A 14 -1.442 9.966 4.873 1.00 93.06 C +ATOM 86 CG PRO A 14 -1.223 9.661 6.309 1.00 91.72 C +ATOM 87 CD PRO A 14 -2.501 10.062 6.994 1.00 92.76 C +HETATM 88 N HYP A 15 -2.784 7.986 2.974 1.00 93.78 N +HETATM 89 CA HYP A 15 -2.777 6.623 2.466 1.00 94.25 C +HETATM 90 C HYP A 15 -1.779 5.775 3.177 1.00 95.35 C +HETATM 91 O HYP A 15 -0.776 6.299 3.716 1.00 93.62 O +HETATM 92 CB HYP A 15 -2.431 6.868 0.990 1.00 91.23 C +HETATM 93 CG HYP A 15 -2.902 8.287 0.701 1.00 89.72 C +HETATM 94 CD HYP A 15 -2.578 9.008 1.977 1.00 92.25 C +HETATM 95 OD1 HYP A 15 -4.282 8.299 0.490 1.00 89.99 O +ATOM 96 N GLY A 16 -2.042 4.509 3.219 1.00 94.94 N +ATOM 97 CA GLY A 16 -1.098 3.584 3.769 1.00 94.99 C +ATOM 98 C GLY A 16 0.143 3.494 2.913 1.00 95.63 C +ATOM 99 O GLY A 16 0.202 4.028 1.806 1.00 95.40 O +ATOM 100 N PRO A 17 1.147 2.809 3.425 1.00 93.02 N +ATOM 101 CA PRO A 17 2.386 2.661 2.676 1.00 92.96 C +ATOM 102 C PRO A 17 2.222 1.720 1.502 1.00 93.22 C +ATOM 103 O PRO A 17 1.279 0.937 1.440 1.00 92.21 O +ATOM 104 CB PRO A 17 3.351 2.101 3.713 1.00 91.72 C +ATOM 105 CG PRO A 17 2.474 1.355 4.651 1.00 89.50 C +ATOM 106 CD PRO A 17 1.193 2.127 4.713 1.00 90.80 C +HETATM 107 N HYP A 18 3.160 1.825 0.564 1.00 89.95 N +HETATM 108 CA HYP A 18 3.170 0.894 -0.517 1.00 90.67 C +HETATM 109 C HYP A 18 3.291 -0.507 -0.058 1.00 91.75 C +HETATM 110 O HYP A 18 3.883 -0.787 0.994 1.00 93.07 O +HETATM 111 CB HYP A 18 4.396 1.339 -1.326 1.00 88.44 C +HETATM 112 CG HYP A 18 4.557 2.797 -1.006 1.00 88.28 C +HETATM 113 CD HYP A 18 4.165 2.840 0.459 1.00 91.52 C +HETATM 114 OD1 HYP A 18 3.640 3.558 -1.770 1.00 89.13 O +ATOM 115 N GLY A 19 2.722 -1.398 -0.805 1.00 92.72 N +ATOM 116 CA GLY A 19 2.874 -2.800 -0.543 1.00 92.66 C +ATOM 117 C GLY A 19 4.304 -3.243 -0.786 1.00 93.72 C +ATOM 118 O GLY A 19 5.124 -2.507 -1.327 1.00 94.14 O +ATOM 119 N PRO A 20 4.598 -4.451 -0.380 1.00 91.21 N +ATOM 120 CA PRO A 20 5.942 -4.969 -0.573 1.00 91.58 C +ATOM 121 C PRO A 20 6.234 -5.233 -2.035 1.00 91.51 C +ATOM 122 O PRO A 20 5.322 -5.365 -2.850 1.00 91.26 O +ATOM 123 CB PRO A 20 5.945 -6.259 0.239 1.00 89.81 C +ATOM 124 CG PRO A 20 4.518 -6.680 0.248 1.00 88.08 C +ATOM 125 CD PRO A 20 3.723 -5.412 0.268 1.00 89.73 C +HETATM 126 N HYP A 21 7.513 -5.302 -2.350 1.00 91.46 N +HETATM 127 CA HYP A 21 7.896 -5.633 -3.682 1.00 91.49 C +HETATM 128 C HYP A 21 7.391 -6.971 -4.137 1.00 91.69 C +HETATM 129 O HYP A 21 7.300 -7.891 -3.322 1.00 93.72 O +HETATM 130 CB HYP A 21 9.433 -5.649 -3.642 1.00 89.44 C +HETATM 131 CG HYP A 21 9.787 -4.781 -2.469 1.00 86.78 C +HETATM 132 CD HYP A 21 8.670 -5.045 -1.491 1.00 90.82 C +HETATM 133 OD1 HYP A 21 9.719 -3.404 -2.847 1.00 87.09 O +ATOM 134 N GLY A 22 6.950 -7.053 -5.354 1.00 91.04 N +ATOM 135 CA GLY A 22 6.554 -8.309 -5.913 1.00 89.38 C +ATOM 136 C GLY A 22 7.763 -9.191 -6.164 1.00 89.30 C +ATOM 137 O GLY A 22 8.905 -8.767 -6.008 1.00 89.43 O +ATOM 138 N PRO A 23 7.526 -10.420 -6.560 1.00 93.03 N +ATOM 139 CA PRO A 23 8.635 -11.311 -6.864 1.00 92.38 C +ATOM 140 C PRO A 23 9.348 -10.837 -8.116 1.00 91.14 C +ATOM 141 O PRO A 23 8.717 -10.481 -9.104 1.00 87.96 O +ATOM 142 CB PRO A 23 7.959 -12.660 -7.071 1.00 90.01 C +ATOM 143 CG PRO A 23 6.585 -12.313 -7.515 1.00 88.21 C +ATOM 144 CD PRO A 23 6.230 -11.048 -6.787 1.00 90.36 C +HETATM 145 N HYP A 24 10.586 -10.716 -8.091 1.00 93.79 N +HETATM 146 CA HYP A 24 11.292 -10.052 -9.240 1.00 89.21 C +HETATM 147 C HYP A 24 10.741 -8.835 -9.709 1.00 92.06 C +HETATM 148 O HYP A 24 11.391 -7.705 -9.662 1.00 89.38 O +HETATM 149 CB HYP A 24 12.553 -10.600 -9.381 1.00 89.05 C +HETATM 150 CG HYP A 24 12.548 -11.859 -8.523 1.00 88.75 C +HETATM 151 CD HYP A 24 11.341 -11.747 -7.577 1.00 92.45 C +HETATM 152 OD1 HYP A 24 13.706 -11.925 -7.728 1.00 87.29 O +HETATM 153 OXT HYP A 24 9.796 -8.903 -10.563 1.00 85.39 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_253.txt b/protein_pdb_253.txt new file mode 100644 index 0000000000000000000000000000000000000000..3345bb3254169cb93325c44f75a45ba6ac90dfd5 --- /dev/null +++ b/protein_pdb_253.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 9.265 -1.682 -12.045 1.00 88.94 N +ATOM 2 CA GLY A 1 9.198 -0.302 -11.628 1.00 90.41 C +ATOM 3 C GLY A 1 9.233 -0.184 -10.128 1.00 91.90 C +ATOM 4 O GLY A 1 9.399 -1.175 -9.413 1.00 89.95 O +ATOM 5 N PRO A 2 9.031 1.032 -9.515 1.00 90.44 N +ATOM 6 CA PRO A 2 9.054 1.264 -8.080 1.00 91.05 C +ATOM 7 C PRO A 2 7.844 0.657 -7.384 1.00 91.53 C +ATOM 8 O PRO A 2 6.835 0.347 -8.013 1.00 89.53 O +ATOM 9 CB PRO A 2 9.048 2.785 -7.969 1.00 88.35 C +ATOM 10 CG PRO A 2 8.385 3.238 -9.216 1.00 84.95 C +ATOM 11 CD PRO A 2 8.786 2.258 -10.273 1.00 86.67 C +HETATM 12 N HYP A 3 7.967 0.490 -6.094 1.00 86.45 N +HETATM 13 CA HYP A 3 6.826 0.026 -5.303 1.00 90.58 C +HETATM 14 C HYP A 3 5.659 0.957 -5.428 1.00 88.78 C +HETATM 15 O HYP A 3 5.856 2.163 -5.634 1.00 91.64 O +HETATM 16 CB HYP A 3 7.418 0.004 -3.869 1.00 89.24 C +HETATM 17 CG HYP A 3 8.890 -0.278 -4.077 1.00 83.22 C +HETATM 18 CD HYP A 3 9.194 0.562 -5.337 1.00 88.01 C +HETATM 19 OD1 HYP A 3 9.073 -1.631 -4.351 1.00 88.69 O +ATOM 20 N GLY A 4 4.483 0.385 -5.411 1.00 94.21 N +ATOM 21 CA GLY A 4 3.288 1.181 -5.445 1.00 93.57 C +ATOM 22 C GLY A 4 3.155 2.033 -4.200 1.00 94.10 C +ATOM 23 O GLY A 4 3.894 1.864 -3.227 1.00 94.10 O +ATOM 24 N PRO A 5 2.210 2.956 -4.217 1.00 93.64 N +ATOM 25 CA PRO A 5 2.008 3.824 -3.067 1.00 92.69 C +ATOM 26 C PRO A 5 1.416 3.065 -1.889 1.00 92.60 C +ATOM 27 O PRO A 5 0.855 1.984 -2.049 1.00 91.58 O +ATOM 28 CB PRO A 5 1.037 4.883 -3.590 1.00 91.72 C +ATOM 29 CG PRO A 5 0.292 4.187 -4.673 1.00 90.08 C +ATOM 30 CD PRO A 5 1.265 3.236 -5.296 1.00 91.73 C +HETATM 31 N HYP A 6 1.563 3.648 -0.702 1.00 90.26 N +HETATM 32 CA HYP A 6 0.970 3.061 0.475 1.00 94.65 C +HETATM 33 C HYP A 6 -0.526 2.939 0.355 1.00 91.75 C +HETATM 34 O HYP A 6 -1.158 3.800 -0.292 1.00 93.62 O +HETATM 35 CB HYP A 6 1.373 4.049 1.587 1.00 89.36 C +HETATM 36 CG HYP A 6 2.647 4.685 1.068 1.00 89.22 C +HETATM 37 CD HYP A 6 2.342 4.827 -0.412 1.00 90.34 C +HETATM 38 OD1 HYP A 6 3.724 3.784 1.253 1.00 89.34 O +ATOM 39 N GLY A 7 -1.053 1.893 0.900 1.00 94.03 N +ATOM 40 CA GLY A 7 -2.481 1.735 0.923 1.00 93.75 C +ATOM 41 C GLY A 7 -3.136 2.800 1.785 1.00 94.44 C +ATOM 42 O GLY A 7 -2.476 3.530 2.517 1.00 94.58 O +ATOM 43 N PRO A 8 -4.445 2.885 1.696 1.00 94.50 N +ATOM 44 CA PRO A 8 -5.160 3.867 2.492 1.00 93.95 C +ATOM 45 C PRO A 8 -5.175 3.477 3.962 1.00 94.22 C +ATOM 46 O PRO A 8 -4.976 2.321 4.324 1.00 92.78 O +ATOM 47 CB PRO A 8 -6.568 3.842 1.902 1.00 92.40 C +ATOM 48 CG PRO A 8 -6.707 2.458 1.376 1.00 90.91 C +ATOM 49 CD PRO A 8 -5.341 2.073 0.885 1.00 92.73 C +HETATM 50 N HYP A 9 -5.438 4.462 4.811 1.00 91.69 N +HETATM 51 CA HYP A 9 -5.553 4.213 6.202 1.00 94.05 C +HETATM 52 C HYP A 9 -6.720 3.292 6.503 1.00 92.58 C +HETATM 53 O HYP A 9 -7.750 3.346 5.798 1.00 93.50 O +HETATM 54 CB HYP A 9 -5.773 5.612 6.815 1.00 88.45 C +HETATM 55 CG HYP A 9 -5.210 6.569 5.823 1.00 88.18 C +HETATM 56 CD HYP A 9 -5.488 5.917 4.504 1.00 91.16 C +HETATM 57 OD1 HYP A 9 -3.815 6.643 6.016 1.00 88.74 O +ATOM 58 N GLY A 10 -6.622 2.441 7.451 1.00 93.80 N +ATOM 59 CA GLY A 10 -7.799 1.810 8.010 1.00 92.69 C +ATOM 60 C GLY A 10 -8.662 2.887 8.631 1.00 92.84 C +ATOM 61 O GLY A 10 -8.293 4.059 8.663 1.00 91.64 O +ATOM 62 N LYS A 11 -9.821 2.490 9.136 1.00 91.42 N +ATOM 63 CA LYS A 11 -10.716 3.546 9.615 1.00 92.02 C +ATOM 64 C LYS A 11 -10.079 4.410 10.707 1.00 91.68 C +ATOM 65 O LYS A 11 -10.370 5.605 10.794 1.00 89.13 O +ATOM 66 CB LYS A 11 -12.079 2.986 10.038 1.00 89.35 C +ATOM 67 CG LYS A 11 -12.060 2.018 11.191 1.00 85.84 C +ATOM 68 CD LYS A 11 -13.479 1.581 11.538 1.00 80.62 C +ATOM 69 CE LYS A 11 -13.488 0.515 12.622 1.00 76.99 C +ATOM 70 NZ LYS A 11 -14.866 0.166 13.023 1.00 70.92 N +ATOM 71 N ASN A 12 -9.195 3.834 11.496 1.00 94.52 N +ATOM 72 CA ASN A 12 -8.417 4.593 12.483 1.00 95.13 C +ATOM 73 C ASN A 12 -6.966 4.118 12.536 1.00 95.62 C +ATOM 74 O ASN A 12 -6.291 4.349 13.530 1.00 92.93 O +ATOM 75 CB ASN A 12 -9.053 4.468 13.879 1.00 93.42 C +ATOM 76 CG ASN A 12 -10.460 5.024 13.929 1.00 88.75 C +ATOM 77 OD1 ASN A 12 -11.425 4.280 14.060 1.00 85.61 O +ATOM 78 ND2 ASN A 12 -10.583 6.331 13.830 1.00 81.30 N +ATOM 79 N GLY A 13 -6.500 3.476 11.492 1.00 94.71 N +ATOM 80 CA GLY A 13 -5.226 2.788 11.545 1.00 94.21 C +ATOM 81 C GLY A 13 -4.199 3.325 10.574 1.00 94.63 C +ATOM 82 O GLY A 13 -4.450 4.292 9.857 1.00 93.92 O +ATOM 83 N PRO A 14 -3.045 2.701 10.566 1.00 94.50 N +ATOM 84 CA PRO A 14 -1.966 3.136 9.690 1.00 93.76 C +ATOM 85 C PRO A 14 -2.267 2.825 8.236 1.00 93.91 C +ATOM 86 O PRO A 14 -3.150 2.038 7.918 1.00 92.36 O +ATOM 87 CB PRO A 14 -0.764 2.324 10.182 1.00 92.06 C +ATOM 88 CG PRO A 14 -1.373 1.084 10.725 1.00 90.81 C +ATOM 89 CD PRO A 14 -2.683 1.512 11.331 1.00 92.20 C +HETATM 90 N HYP A 15 -1.506 3.460 7.383 1.00 91.67 N +HETATM 91 CA HYP A 15 -1.565 3.169 5.978 1.00 92.27 C +HETATM 92 C HYP A 15 -1.264 1.740 5.673 1.00 92.78 C +HETATM 93 O HYP A 15 -0.492 1.112 6.432 1.00 92.97 O +HETATM 94 CB HYP A 15 -0.530 4.146 5.397 1.00 89.24 C +HETATM 95 CG HYP A 15 -0.431 5.272 6.418 1.00 87.63 C +HETATM 96 CD HYP A 15 -0.620 4.548 7.738 1.00 90.87 C +HETATM 97 OD1 HYP A 15 -1.469 6.196 6.213 1.00 89.39 O +ATOM 98 N GLY A 16 -1.839 1.222 4.639 1.00 94.94 N +ATOM 99 CA GLY A 16 -1.498 -0.099 4.192 1.00 94.57 C +ATOM 100 C GLY A 16 -0.078 -0.160 3.677 1.00 94.91 C +ATOM 101 O GLY A 16 0.588 0.862 3.509 1.00 94.65 O +ATOM 102 N PRO A 17 0.396 -1.378 3.417 1.00 93.43 N +ATOM 103 CA PRO A 17 1.748 -1.541 2.917 1.00 92.45 C +ATOM 104 C PRO A 17 1.878 -1.035 1.493 1.00 92.72 C +ATOM 105 O PRO A 17 0.898 -0.877 0.777 1.00 91.05 O +ATOM 106 CB PRO A 17 1.977 -3.050 2.999 1.00 91.19 C +ATOM 107 CG PRO A 17 0.608 -3.625 2.885 1.00 89.86 C +ATOM 108 CD PRO A 17 -0.309 -2.649 3.558 1.00 91.63 C +HETATM 109 N HYP A 18 3.117 -0.783 1.084 1.00 89.57 N +HETATM 110 CA HYP A 18 3.396 -0.414 -0.267 1.00 90.15 C +HETATM 111 C HYP A 18 2.949 -1.453 -1.249 1.00 90.26 C +HETATM 112 O HYP A 18 2.968 -2.658 -0.929 1.00 92.38 O +HETATM 113 CB HYP A 18 4.918 -0.231 -0.280 1.00 86.06 C +HETATM 114 CG HYP A 18 5.257 0.119 1.165 1.00 86.64 C +HETATM 115 CD HYP A 18 4.287 -0.748 1.939 1.00 90.13 C +HETATM 116 OD1 HYP A 18 4.981 1.486 1.429 1.00 89.28 O +ATOM 117 N GLY A 19 2.498 -1.038 -2.389 1.00 93.03 N +ATOM 118 CA GLY A 19 2.153 -1.954 -3.442 1.00 92.68 C +ATOM 119 C GLY A 19 3.381 -2.656 -3.985 1.00 93.20 C +ATOM 120 O GLY A 19 4.514 -2.292 -3.690 1.00 93.38 O +ATOM 121 N PRO A 20 3.152 -3.682 -4.789 1.00 90.13 N +ATOM 122 CA PRO A 20 4.257 -4.417 -5.371 1.00 89.96 C +ATOM 123 C PRO A 20 4.976 -3.590 -6.428 1.00 90.31 C +ATOM 124 O PRO A 20 4.461 -2.586 -6.910 1.00 89.91 O +ATOM 125 CB PRO A 20 3.574 -5.639 -5.981 1.00 88.02 C +ATOM 126 CG PRO A 20 2.204 -5.161 -6.297 1.00 85.80 C +ATOM 127 CD PRO A 20 1.853 -4.174 -5.221 1.00 87.64 C +HETATM 128 N HYP A 21 6.182 -4.021 -6.756 1.00 86.55 N +HETATM 129 CA HYP A 21 6.921 -3.400 -7.818 1.00 88.36 C +HETATM 130 C HYP A 21 6.166 -3.330 -9.110 1.00 86.37 C +HETATM 131 O HYP A 21 5.398 -4.256 -9.387 1.00 92.09 O +HETATM 132 CB HYP A 21 8.209 -4.208 -7.930 1.00 82.93 C +HETATM 133 CG HYP A 21 8.387 -4.800 -6.551 1.00 81.79 C +HETATM 134 CD HYP A 21 6.978 -5.075 -6.113 1.00 88.46 C +HETATM 135 OD1 HYP A 21 8.952 -3.832 -5.671 1.00 85.20 O +ATOM 136 N GLY A 22 6.288 -2.253 -9.846 1.00 91.90 N +ATOM 137 CA GLY A 22 5.669 -2.129 -11.138 1.00 89.99 C +ATOM 138 C GLY A 22 6.304 -3.065 -12.150 1.00 90.42 C +ATOM 139 O GLY A 22 7.272 -3.766 -11.853 1.00 90.21 O +ATOM 140 N PRO A 23 5.768 -3.080 -13.367 1.00 92.51 N +ATOM 141 CA PRO A 23 6.309 -3.952 -14.399 1.00 91.79 C +ATOM 142 C PRO A 23 7.700 -3.509 -14.806 1.00 90.92 C +ATOM 143 O PRO A 23 8.094 -2.365 -14.605 1.00 87.63 O +ATOM 144 CB PRO A 23 5.313 -3.816 -15.539 1.00 89.49 C +ATOM 145 CG PRO A 23 4.716 -2.468 -15.341 1.00 88.27 C +ATOM 146 CD PRO A 23 4.672 -2.260 -13.850 1.00 90.37 C +HETATM 147 N HYP A 24 8.448 -4.317 -15.355 1.00 90.46 N +HETATM 148 CA HYP A 24 9.835 -3.957 -15.747 1.00 84.83 C +HETATM 149 C HYP A 24 9.979 -2.550 -16.191 1.00 86.89 C +HETATM 150 O HYP A 24 10.913 -2.171 -16.874 1.00 87.05 O +HETATM 151 CB HYP A 24 10.190 -4.968 -16.799 1.00 86.15 C +HETATM 152 CG HYP A 24 9.258 -6.121 -16.646 1.00 84.33 C +HETATM 153 CD HYP A 24 8.014 -5.532 -16.001 1.00 88.47 C +HETATM 154 OD1 HYP A 24 9.781 -7.071 -15.731 1.00 86.09 O +HETATM 155 OXT HYP A 24 9.177 -1.727 -15.843 1.00 83.90 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_254.txt b/protein_pdb_254.txt new file mode 100644 index 0000000000000000000000000000000000000000..7d08d6a30ca67ef9585fd49b0229efd4ebaab607 --- /dev/null +++ b/protein_pdb_254.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -5.124 -10.955 -11.457 1.00 81.14 N +ATOM 2 CA GLY A 1 -5.888 -9.918 -10.785 1.00 83.50 C +ATOM 3 C GLY A 1 -5.100 -8.639 -10.695 1.00 84.60 C +ATOM 4 O GLY A 1 -3.952 -8.579 -11.131 1.00 82.34 O +ATOM 5 N PRO A 2 -5.690 -7.621 -10.121 1.00 84.01 N +ATOM 6 CA PRO A 2 -5.020 -6.337 -10.023 1.00 85.97 C +ATOM 7 C PRO A 2 -3.883 -6.358 -9.013 1.00 86.31 C +ATOM 8 O PRO A 2 -3.813 -7.239 -8.164 1.00 85.13 O +ATOM 9 CB PRO A 2 -6.130 -5.384 -9.574 1.00 83.06 C +ATOM 10 CG PRO A 2 -7.078 -6.253 -8.845 1.00 77.34 C +ATOM 11 CD PRO A 2 -7.036 -7.584 -9.528 1.00 77.90 C +HETATM 12 N HYP A 3 -3.033 -5.429 -9.178 1.00 84.97 N +HETATM 13 CA HYP A 3 -1.953 -5.243 -8.176 1.00 88.45 C +HETATM 14 C HYP A 3 -2.490 -5.089 -6.795 1.00 88.37 C +HETATM 15 O HYP A 3 -3.631 -4.577 -6.601 1.00 90.24 O +HETATM 16 CB HYP A 3 -1.242 -4.003 -8.708 1.00 86.09 C +HETATM 17 CG HYP A 3 -1.459 -4.049 -10.207 1.00 82.77 C +HETATM 18 CD HYP A 3 -2.924 -4.530 -10.304 1.00 85.68 C +HETATM 19 OD1 HYP A 3 -0.615 -5.014 -10.758 1.00 86.29 O +ATOM 20 N GLY A 4 -1.742 -5.555 -5.844 1.00 90.14 N +ATOM 21 CA GLY A 4 -2.116 -5.402 -4.467 1.00 90.05 C +ATOM 22 C GLY A 4 -2.094 -3.948 -4.033 1.00 90.92 C +ATOM 23 O GLY A 4 -1.686 -3.064 -4.784 1.00 91.37 O +ATOM 24 N PRO A 5 -2.536 -3.707 -2.817 1.00 89.91 N +ATOM 25 CA PRO A 5 -2.566 -2.342 -2.312 1.00 90.27 C +ATOM 26 C PRO A 5 -1.172 -1.824 -2.004 1.00 90.40 C +ATOM 27 O PRO A 5 -0.224 -2.585 -1.872 1.00 89.54 O +ATOM 28 CB PRO A 5 -3.404 -2.469 -1.041 1.00 88.13 C +ATOM 29 CG PRO A 5 -3.167 -3.866 -0.588 1.00 85.64 C +ATOM 30 CD PRO A 5 -3.023 -4.677 -1.839 1.00 88.20 C +HETATM 31 N HYP A 6 -1.068 -0.524 -1.922 1.00 90.07 N +HETATM 32 CA HYP A 6 0.186 0.104 -1.512 1.00 93.65 C +HETATM 33 C HYP A 6 0.680 -0.380 -0.197 1.00 92.09 C +HETATM 34 O HYP A 6 -0.143 -0.731 0.698 1.00 92.74 O +HETATM 35 CB HYP A 6 -0.235 1.577 -1.482 1.00 89.13 C +HETATM 36 CG HYP A 6 -1.352 1.693 -2.471 1.00 86.97 C +HETATM 37 CD HYP A 6 -2.112 0.394 -2.250 1.00 87.60 C +HETATM 38 OD1 HYP A 6 -0.816 1.711 -3.772 1.00 89.56 O +ATOM 39 N GLY A 7 1.951 -0.480 -0.065 1.00 90.41 N +ATOM 40 CA GLY A 7 2.546 -0.870 1.187 1.00 89.66 C +ATOM 41 C GLY A 7 2.299 0.172 2.264 1.00 90.10 C +ATOM 42 O GLY A 7 1.738 1.237 2.016 1.00 90.10 O +ATOM 43 N PRO A 8 2.714 -0.158 3.478 1.00 90.90 N +ATOM 44 CA PRO A 8 2.484 0.763 4.586 1.00 90.76 C +ATOM 45 C PRO A 8 3.354 2.004 4.470 1.00 91.01 C +ATOM 46 O PRO A 8 4.439 1.979 3.902 1.00 89.89 O +ATOM 47 CB PRO A 8 2.855 -0.066 5.810 1.00 88.35 C +ATOM 48 CG PRO A 8 3.838 -1.052 5.300 1.00 87.42 C +ATOM 49 CD PRO A 8 3.414 -1.368 3.894 1.00 89.20 C +HETATM 50 N HYP A 9 2.897 3.092 5.069 1.00 90.28 N +HETATM 51 CA HYP A 9 3.622 4.298 5.052 1.00 93.69 C +HETATM 52 C HYP A 9 4.853 4.183 5.943 1.00 90.29 C +HETATM 53 O HYP A 9 4.825 3.447 6.945 1.00 89.66 O +HETATM 54 CB HYP A 9 2.658 5.279 5.847 1.00 88.41 C +HETATM 55 CG HYP A 9 1.307 4.687 5.749 1.00 86.20 C +HETATM 56 CD HYP A 9 1.549 3.227 5.686 1.00 87.99 C +HETATM 57 OD1 HYP A 9 0.746 5.105 4.517 1.00 87.39 O +ATOM 58 N GLY A 10 5.897 4.804 5.580 1.00 89.40 N +ATOM 59 CA GLY A 10 6.945 5.063 6.537 1.00 86.95 C +ATOM 60 C GLY A 10 6.442 6.071 7.549 1.00 87.86 C +ATOM 61 O GLY A 10 5.377 6.671 7.378 1.00 85.95 O +ATOM 62 N THR A 11 7.193 6.270 8.584 1.00 89.14 N +ATOM 63 CA THR A 11 6.711 7.203 9.606 1.00 90.33 C +ATOM 64 C THR A 11 6.499 8.601 9.037 1.00 90.47 C +ATOM 65 O THR A 11 5.580 9.307 9.457 1.00 88.01 O +ATOM 66 CB THR A 11 7.675 7.259 10.798 1.00 87.85 C +ATOM 67 OG1 THR A 11 8.965 7.655 10.347 1.00 83.85 O +ATOM 68 CG2 THR A 11 7.780 5.906 11.471 1.00 82.12 C +ATOM 69 N MET A 12 7.328 8.974 8.074 1.00 88.64 N +ATOM 70 CA MET A 12 7.175 10.230 7.352 1.00 90.10 C +ATOM 71 C MET A 12 7.149 10.006 5.850 1.00 90.75 C +ATOM 72 O MET A 12 7.294 10.965 5.088 1.00 84.25 O +ATOM 73 CB MET A 12 8.309 11.192 7.721 1.00 87.40 C +ATOM 74 CG MET A 12 8.164 11.839 9.077 1.00 80.90 C +ATOM 75 SD MET A 12 6.861 13.074 9.109 1.00 76.21 S +ATOM 76 CE MET A 12 7.584 14.350 8.090 1.00 70.29 C +ATOM 77 N GLY A 13 6.982 8.783 5.435 1.00 91.46 N +ATOM 78 CA GLY A 13 7.126 8.424 4.046 1.00 90.07 C +ATOM 79 C GLY A 13 5.822 8.043 3.382 1.00 90.61 C +ATOM 80 O GLY A 13 4.814 7.790 4.041 1.00 90.89 O +ATOM 81 N PRO A 14 5.852 8.011 2.074 1.00 91.03 N +ATOM 82 CA PRO A 14 4.674 7.619 1.318 1.00 90.67 C +ATOM 83 C PRO A 14 4.418 6.132 1.444 1.00 90.52 C +ATOM 84 O PRO A 14 5.270 5.365 1.886 1.00 89.13 O +ATOM 85 CB PRO A 14 5.044 7.991 -0.112 1.00 88.94 C +ATOM 86 CG PRO A 14 6.517 7.815 -0.153 1.00 87.86 C +ATOM 87 CD PRO A 14 7.006 8.257 1.204 1.00 88.45 C +HETATM 88 N HYP A 15 3.272 5.784 1.012 1.00 89.18 N +HETATM 89 CA HYP A 15 2.953 4.370 0.938 1.00 92.15 C +HETATM 90 C HYP A 15 3.924 3.643 0.064 1.00 93.65 C +HETATM 91 O HYP A 15 4.500 4.249 -0.872 1.00 90.93 O +HETATM 92 CB HYP A 15 1.544 4.454 0.335 1.00 88.32 C +HETATM 93 CG HYP A 15 0.991 5.798 0.784 1.00 84.48 C +HETATM 94 CD HYP A 15 2.193 6.692 0.664 1.00 88.21 C +HETATM 95 OD1 HYP A 15 0.586 5.722 2.116 1.00 88.93 O +ATOM 96 N GLY A 16 4.143 2.411 0.364 1.00 91.34 N +ATOM 97 CA GLY A 16 4.983 1.595 -0.472 1.00 90.69 C +ATOM 98 C GLY A 16 4.335 1.328 -1.812 1.00 91.73 C +ATOM 99 O GLY A 16 3.205 1.754 -2.077 1.00 91.81 O +ATOM 100 N PRO A 17 5.060 0.625 -2.666 1.00 90.72 N +ATOM 101 CA PRO A 17 4.535 0.325 -3.986 1.00 90.26 C +ATOM 102 C PRO A 17 3.404 -0.690 -3.921 1.00 91.02 C +ATOM 103 O PRO A 17 3.233 -1.393 -2.931 1.00 89.92 O +ATOM 104 CB PRO A 17 5.745 -0.235 -4.730 1.00 88.07 C +ATOM 105 CG PRO A 17 6.604 -0.792 -3.660 1.00 87.40 C +ATOM 106 CD PRO A 17 6.393 0.068 -2.453 1.00 88.61 C +HETATM 107 N HYP A 18 2.628 -0.750 -4.983 1.00 88.75 N +HETATM 108 CA HYP A 18 1.619 -1.738 -5.083 1.00 91.27 C +HETATM 109 C HYP A 18 2.152 -3.118 -4.936 1.00 90.25 C +HETATM 110 O HYP A 18 3.295 -3.398 -5.374 1.00 91.39 O +HETATM 111 CB HYP A 18 1.040 -1.479 -6.460 1.00 88.33 C +HETATM 112 CG HYP A 18 1.271 -0.014 -6.686 1.00 86.94 C +HETATM 113 CD HYP A 18 2.625 0.195 -6.074 1.00 91.09 C +HETATM 114 OD1 HYP A 18 0.298 0.726 -5.988 1.00 88.87 O +ATOM 115 N GLY A 19 1.399 -3.953 -4.318 1.00 89.02 N +ATOM 116 CA GLY A 19 1.766 -5.337 -4.177 1.00 89.06 C +ATOM 117 C GLY A 19 1.730 -6.060 -5.499 1.00 90.22 C +ATOM 118 O GLY A 19 1.386 -5.493 -6.537 1.00 90.16 O +ATOM 119 N PRO A 20 2.095 -7.329 -5.469 1.00 85.11 N +ATOM 120 CA PRO A 20 2.097 -8.108 -6.690 1.00 85.38 C +ATOM 121 C PRO A 20 0.683 -8.350 -7.190 1.00 86.01 C +ATOM 122 O PRO A 20 -0.283 -8.176 -6.462 1.00 85.56 O +ATOM 123 CB PRO A 20 2.767 -9.413 -6.267 1.00 82.12 C +ATOM 124 CG PRO A 20 2.481 -9.511 -4.812 1.00 78.72 C +ATOM 125 CD PRO A 20 2.472 -8.110 -4.298 1.00 80.16 C +HETATM 126 N HYP A 21 0.582 -8.738 -8.440 1.00 86.66 N +HETATM 127 CA HYP A 21 -0.667 -9.063 -9.006 1.00 87.89 C +HETATM 128 C HYP A 21 -1.437 -10.113 -8.251 1.00 87.19 C +HETATM 129 O HYP A 21 -0.805 -11.028 -7.719 1.00 89.77 O +HETATM 130 CB HYP A 21 -0.391 -9.477 -10.415 1.00 83.32 C +HETATM 131 CG HYP A 21 0.887 -8.762 -10.736 1.00 79.43 C +HETATM 132 CD HYP A 21 1.636 -8.800 -9.431 1.00 85.27 C +HETATM 133 OD1 HYP A 21 0.589 -7.404 -11.047 1.00 86.27 O +ATOM 134 N GLY A 22 -2.688 -9.909 -8.092 1.00 85.74 N +ATOM 135 CA GLY A 22 -3.533 -10.863 -7.439 1.00 84.28 C +ATOM 136 C GLY A 22 -3.725 -12.102 -8.284 1.00 84.10 C +ATOM 137 O GLY A 22 -3.097 -12.271 -9.324 1.00 83.96 O +ATOM 138 N PRO A 23 -4.606 -12.984 -7.835 1.00 87.13 N +ATOM 139 CA PRO A 23 -4.839 -14.214 -8.581 1.00 87.18 C +ATOM 140 C PRO A 23 -5.466 -13.916 -9.928 1.00 86.14 C +ATOM 141 O PRO A 23 -6.069 -12.877 -10.141 1.00 82.52 O +ATOM 142 CB PRO A 23 -5.780 -15.001 -7.675 1.00 82.76 C +ATOM 143 CG PRO A 23 -6.443 -13.971 -6.837 1.00 79.57 C +ATOM 144 CD PRO A 23 -5.447 -12.869 -6.660 1.00 82.04 C +HETATM 145 N HYP A 24 -5.405 -14.770 -10.818 1.00 86.39 N +HETATM 146 CA HYP A 24 -5.889 -14.539 -12.182 1.00 83.41 C +HETATM 147 C HYP A 24 -7.123 -13.768 -12.277 1.00 85.16 C +HETATM 148 O HYP A 24 -8.169 -14.258 -12.676 1.00 80.77 O +HETATM 149 CB HYP A 24 -5.849 -15.910 -12.753 1.00 83.63 C +HETATM 150 CG HYP A 24 -4.994 -16.738 -11.840 1.00 81.09 C +HETATM 151 CD HYP A 24 -5.180 -16.119 -10.489 1.00 85.41 C +HETATM 152 OD1 HYP A 24 -3.614 -16.576 -12.173 1.00 81.02 O +HETATM 153 OXT HYP A 24 -7.026 -12.590 -11.908 1.00 78.81 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_255.txt b/protein_pdb_255.txt new file mode 100644 index 0000000000000000000000000000000000000000..144d527b622f0a18748e5e64c6023160cb819fd8 --- /dev/null +++ b/protein_pdb_255.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 21.647 -27.517 -3.669 1.00 87.00 N +ATOM 2 CA GLY A 1 22.074 -26.184 -3.257 1.00 89.62 C +ATOM 3 C GLY A 1 21.001 -25.473 -2.472 1.00 90.14 C +ATOM 4 O GLY A 1 19.866 -25.949 -2.386 1.00 87.77 O +ATOM 5 N PRO A 2 21.303 -24.320 -1.884 1.00 87.12 N +ATOM 6 CA PRO A 2 20.323 -23.577 -1.100 1.00 90.08 C +ATOM 7 C PRO A 2 19.247 -22.962 -1.978 1.00 89.80 C +ATOM 8 O PRO A 2 19.453 -22.723 -3.159 1.00 88.84 O +ATOM 9 CB PRO A 2 21.159 -22.499 -0.405 1.00 87.50 C +ATOM 10 CG PRO A 2 22.304 -22.294 -1.326 1.00 82.38 C +ATOM 11 CD PRO A 2 22.607 -23.646 -1.921 1.00 83.92 C +HETATM 12 N HYP A 3 18.180 -22.753 -1.444 1.00 87.87 N +HETATM 13 CA HYP A 3 17.012 -22.018 -2.095 1.00 86.96 C +HETATM 14 C HYP A 3 17.380 -20.607 -2.525 1.00 86.68 C +HETATM 15 O HYP A 3 18.217 -19.952 -1.895 1.00 88.68 O +HETATM 16 CB HYP A 3 16.005 -22.004 -0.964 1.00 84.35 C +HETATM 17 CG HYP A 3 16.363 -23.148 -0.017 1.00 83.47 C +HETATM 18 CD HYP A 3 17.900 -23.160 -0.077 1.00 85.54 C +HETATM 19 OD1 HYP A 3 15.877 -24.367 -0.499 1.00 87.80 O +ATOM 20 N GLY A 4 16.766 -20.143 -3.587 1.00 89.12 N +ATOM 21 CA GLY A 4 16.971 -18.794 -4.048 1.00 87.87 C +ATOM 22 C GLY A 4 16.292 -17.793 -3.122 1.00 88.24 C +ATOM 23 O GLY A 4 15.514 -18.159 -2.250 1.00 88.53 O +ATOM 24 N PRO A 5 16.569 -16.504 -3.326 1.00 88.24 N +ATOM 25 CA PRO A 5 15.965 -15.476 -2.479 1.00 89.99 C +ATOM 26 C PRO A 5 14.482 -15.308 -2.783 1.00 89.60 C +ATOM 27 O PRO A 5 14.020 -15.614 -3.871 1.00 88.98 O +ATOM 28 CB PRO A 5 16.753 -14.217 -2.830 1.00 87.68 C +ATOM 29 CG PRO A 5 17.179 -14.454 -4.240 1.00 84.09 C +ATOM 30 CD PRO A 5 17.457 -15.934 -4.331 1.00 86.08 C +HETATM 31 N HYP A 6 13.780 -14.834 -1.796 1.00 88.98 N +HETATM 32 CA HYP A 6 12.349 -14.463 -2.009 1.00 92.66 C +HETATM 33 C HYP A 6 12.203 -13.383 -3.027 1.00 86.85 C +HETATM 34 O HYP A 6 13.081 -12.537 -3.214 1.00 89.16 O +HETATM 35 CB HYP A 6 11.954 -13.945 -0.608 1.00 84.84 C +HETATM 36 CG HYP A 6 12.902 -14.583 0.385 1.00 86.16 C +HETATM 37 CD HYP A 6 14.188 -14.637 -0.400 1.00 88.24 C +HETATM 38 OD1 HYP A 6 12.480 -15.887 0.719 1.00 87.03 O +ATOM 39 N GLY A 7 11.054 -13.359 -3.739 1.00 92.62 N +ATOM 40 CA GLY A 7 10.752 -12.334 -4.705 1.00 91.46 C +ATOM 41 C GLY A 7 10.497 -10.992 -4.040 1.00 92.03 C +ATOM 42 O GLY A 7 10.374 -10.901 -2.814 1.00 91.81 O +ATOM 43 N PRO A 8 10.403 -9.934 -4.842 1.00 90.94 N +ATOM 44 CA PRO A 8 10.158 -8.604 -4.283 1.00 91.37 C +ATOM 45 C PRO A 8 8.737 -8.473 -3.745 1.00 91.03 C +ATOM 46 O PRO A 8 7.836 -9.193 -4.159 1.00 88.92 O +ATOM 47 CB PRO A 8 10.393 -7.662 -5.463 1.00 88.95 C +ATOM 48 CG PRO A 8 10.066 -8.506 -6.648 1.00 88.31 C +ATOM 49 CD PRO A 8 10.527 -9.901 -6.293 1.00 90.75 C +HETATM 50 N HYP A 9 8.541 -7.548 -2.841 1.00 87.57 N +HETATM 51 CA HYP A 9 7.217 -7.221 -2.313 1.00 90.19 C +HETATM 52 C HYP A 9 6.353 -6.686 -3.353 1.00 87.95 C +HETATM 53 O HYP A 9 6.785 -5.980 -4.271 1.00 86.52 O +HETATM 54 CB HYP A 9 7.586 -6.168 -1.240 1.00 85.41 C +HETATM 55 CG HYP A 9 9.014 -6.410 -0.860 1.00 83.15 C +HETATM 56 CD HYP A 9 9.612 -6.875 -2.134 1.00 86.49 C +HETATM 57 OD1 HYP A 9 9.104 -7.446 0.103 1.00 85.03 O +ATOM 58 N GLY A 10 5.004 -6.933 -3.271 1.00 89.44 N +ATOM 59 CA GLY A 10 4.030 -6.416 -4.199 1.00 87.30 C +ATOM 60 C GLY A 10 3.870 -4.910 -4.085 1.00 87.88 C +ATOM 61 O GLY A 10 4.395 -4.264 -3.172 1.00 86.51 O +ATOM 62 N ASP A 11 3.113 -4.334 -5.035 1.00 85.52 N +ATOM 63 CA ASP A 11 2.871 -2.898 -5.045 1.00 87.74 C +ATOM 64 C ASP A 11 2.053 -2.477 -3.831 1.00 87.92 C +ATOM 65 O ASP A 11 1.241 -3.237 -3.305 1.00 85.72 O +ATOM 66 CB ASP A 11 2.118 -2.491 -6.305 1.00 84.79 C +ATOM 67 CG ASP A 11 2.937 -2.653 -7.561 1.00 79.98 C +ATOM 68 OD1 ASP A 11 4.181 -2.682 -7.478 1.00 79.12 O +ATOM 69 OD2 ASP A 11 2.332 -2.738 -8.650 1.00 77.45 O +ATOM 70 N ALA A 12 2.264 -1.237 -3.390 1.00 86.78 N +ATOM 71 CA ALA A 12 1.454 -0.676 -2.314 1.00 87.02 C +ATOM 72 C ALA A 12 0.013 -0.570 -2.789 1.00 87.35 C +ATOM 73 O ALA A 12 -0.263 -0.380 -3.977 1.00 82.38 O +ATOM 74 CB ALA A 12 1.982 0.688 -1.903 1.00 83.10 C +ATOM 75 N GLY A 13 -0.907 -0.711 -1.839 1.00 86.99 N +ATOM 76 CA GLY A 13 -2.309 -0.615 -2.172 1.00 85.36 C +ATOM 77 C GLY A 13 -2.720 0.790 -2.568 1.00 85.43 C +ATOM 78 O GLY A 13 -1.933 1.732 -2.480 1.00 85.70 O +ATOM 79 N PRO A 14 -3.980 0.958 -3.010 1.00 82.52 N +ATOM 80 CA PRO A 14 -4.470 2.270 -3.428 1.00 83.05 C +ATOM 81 C PRO A 14 -4.617 3.213 -2.235 1.00 82.84 C +ATOM 82 O PRO A 14 -4.698 2.783 -1.092 1.00 82.41 O +ATOM 83 CB PRO A 14 -5.826 1.965 -4.063 1.00 81.08 C +ATOM 84 CG PRO A 14 -6.264 0.722 -3.394 1.00 79.87 C +ATOM 85 CD PRO A 14 -5.012 -0.076 -3.160 1.00 79.69 C +HETATM 86 N HYP A 15 -4.690 4.528 -2.495 1.00 82.67 N +HETATM 87 CA HYP A 15 -4.910 5.522 -1.508 1.00 79.38 C +HETATM 88 C HYP A 15 -6.247 5.364 -0.769 1.00 86.07 C +HETATM 89 O HYP A 15 -7.191 4.778 -1.330 1.00 81.25 O +HETATM 90 CB HYP A 15 -4.953 6.809 -2.337 1.00 80.30 C +HETATM 91 CG HYP A 15 -4.122 6.500 -3.542 1.00 77.32 C +HETATM 92 CD HYP A 15 -4.451 5.080 -3.771 1.00 82.62 C +HETATM 93 OD1 HYP A 15 -2.768 6.630 -3.254 1.00 81.39 O +ATOM 94 N GLY A 16 -6.298 5.733 0.459 1.00 88.71 N +ATOM 95 CA GLY A 16 -7.517 5.656 1.218 1.00 87.86 C +ATOM 96 C GLY A 16 -8.551 6.651 0.716 1.00 87.92 C +ATOM 97 O GLY A 16 -8.257 7.501 -0.127 1.00 88.30 O +ATOM 98 N PRO A 17 -9.777 6.552 1.240 1.00 81.90 N +ATOM 99 CA PRO A 17 -10.839 7.457 0.807 1.00 83.78 C +ATOM 100 C PRO A 17 -10.622 8.870 1.327 1.00 84.03 C +ATOM 101 O PRO A 17 -9.932 9.080 2.313 1.00 84.48 O +ATOM 102 CB PRO A 17 -12.099 6.829 1.405 1.00 82.44 C +ATOM 103 CG PRO A 17 -11.601 6.128 2.615 1.00 80.65 C +ATOM 104 CD PRO A 17 -10.242 5.597 2.240 1.00 80.78 C +HETATM 105 N HYP A 18 -11.209 9.859 0.689 1.00 86.36 N +HETATM 106 CA HYP A 18 -11.212 11.213 1.130 1.00 89.59 C +HETATM 107 C HYP A 18 -11.901 11.383 2.482 1.00 84.56 C +HETATM 108 O HYP A 18 -12.763 10.586 2.860 1.00 88.37 O +HETATM 109 CB HYP A 18 -12.039 11.920 0.055 1.00 85.70 C +HETATM 110 CG HYP A 18 -11.869 11.085 -1.179 1.00 81.77 C +HETATM 111 CD HYP A 18 -11.805 9.703 -0.611 1.00 86.23 C +HETATM 112 OD1 HYP A 18 -10.667 11.400 -1.833 1.00 85.43 O +ATOM 113 N GLY A 19 -11.495 12.368 3.231 1.00 88.61 N +ATOM 114 CA GLY A 19 -12.108 12.666 4.494 1.00 88.07 C +ATOM 115 C GLY A 19 -13.531 13.163 4.312 1.00 88.73 C +ATOM 116 O GLY A 19 -13.989 13.393 3.192 1.00 88.54 O +ATOM 117 N PRO A 20 -14.254 13.356 5.420 1.00 82.21 N +ATOM 118 CA PRO A 20 -15.639 13.811 5.347 1.00 83.88 C +ATOM 119 C PRO A 20 -15.733 15.245 4.866 1.00 83.43 C +ATOM 120 O PRO A 20 -14.800 16.029 5.015 1.00 82.65 O +ATOM 121 CB PRO A 20 -16.138 13.655 6.783 1.00 80.68 C +ATOM 122 CG PRO A 20 -14.904 13.779 7.609 1.00 78.19 C +ATOM 123 CD PRO A 20 -13.813 13.136 6.798 1.00 80.12 C +HETATM 124 N HYP A 21 -16.845 15.615 4.318 1.00 92.18 N +HETATM 125 CA HYP A 21 -17.130 16.974 3.856 1.00 88.95 C +HETATM 126 C HYP A 21 -17.196 17.980 4.996 1.00 86.69 C +HETATM 127 O HYP A 21 -17.537 17.622 6.123 1.00 89.76 O +HETATM 128 CB HYP A 21 -18.571 16.836 3.283 1.00 86.49 C +HETATM 129 CG HYP A 21 -18.723 15.395 2.895 1.00 81.94 C +HETATM 130 CD HYP A 21 -17.902 14.687 3.947 1.00 86.80 C +HETATM 131 OD1 HYP A 21 -18.124 15.175 1.631 1.00 85.95 O +ATOM 132 N GLY A 22 -16.804 19.205 4.739 1.00 87.64 N +ATOM 133 CA GLY A 22 -16.921 20.264 5.702 1.00 86.56 C +ATOM 134 C GLY A 22 -18.376 20.641 5.930 1.00 86.64 C +ATOM 135 O GLY A 22 -19.277 20.113 5.276 1.00 85.00 O +ATOM 136 N PRO A 23 -18.631 21.596 6.837 1.00 86.64 N +ATOM 137 CA PRO A 23 -20.011 22.002 7.119 1.00 87.86 C +ATOM 138 C PRO A 23 -20.611 22.752 5.942 1.00 87.14 C +ATOM 139 O PRO A 23 -19.902 23.316 5.119 1.00 83.13 O +ATOM 140 CB PRO A 23 -19.871 22.893 8.349 1.00 83.64 C +ATOM 141 CG PRO A 23 -18.490 23.432 8.241 1.00 81.78 C +ATOM 142 CD PRO A 23 -17.670 22.326 7.639 1.00 83.04 C +HETATM 143 N HYP A 24 -21.949 22.847 5.855 1.00 86.56 N +HETATM 144 CA HYP A 24 -22.555 23.561 4.735 1.00 83.93 C +HETATM 145 C HYP A 24 -22.076 24.915 4.600 1.00 82.96 C +HETATM 146 O HYP A 24 -22.237 25.723 5.521 1.00 79.33 O +HETATM 147 CB HYP A 24 -24.066 23.497 5.013 1.00 84.80 C +HETATM 148 CG HYP A 24 -24.269 22.364 5.937 1.00 80.15 C +HETATM 149 CD HYP A 24 -22.954 22.309 6.725 1.00 85.46 C +HETATM 150 OD1 HYP A 24 -24.406 21.177 5.201 1.00 79.13 O +HETATM 151 OXT HYP A 24 -21.481 25.159 3.538 1.00 77.10 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_256.txt b/protein_pdb_256.txt new file mode 100644 index 0000000000000000000000000000000000000000..026ea3e7d4b717badac85e0e65bdc7df46132624 --- /dev/null +++ b/protein_pdb_256.txt @@ -0,0 +1,151 @@ +ATOM 1 N GLY A 1 -0.304 -11.304 7.565 1.00 82.41 N +ATOM 2 CA GLY A 1 0.591 -11.165 6.445 1.00 82.74 C +ATOM 3 C GLY A 1 1.205 -9.781 6.404 1.00 82.43 C +ATOM 4 O GLY A 1 0.902 -8.929 7.235 1.00 79.87 O +ATOM 5 N PRO A 2 2.119 -9.444 5.397 1.00 84.51 N +ATOM 6 CA PRO A 2 2.763 -8.138 5.265 1.00 84.85 C +ATOM 7 C PRO A 2 1.783 -7.084 4.773 1.00 84.94 C +ATOM 8 O PRO A 2 0.709 -7.389 4.281 1.00 81.62 O +ATOM 9 CB PRO A 2 3.862 -8.394 4.238 1.00 81.87 C +ATOM 10 CG PRO A 2 3.337 -9.512 3.420 1.00 79.61 C +ATOM 11 CD PRO A 2 2.538 -10.373 4.352 1.00 79.96 C +HETATM 12 N HYP A 3 2.209 -5.830 4.922 1.00 82.15 N +HETATM 13 CA HYP A 3 1.393 -4.733 4.389 1.00 83.56 C +HETATM 14 C HYP A 3 1.200 -4.855 2.903 1.00 83.19 C +HETATM 15 O HYP A 3 2.073 -5.400 2.201 1.00 87.12 O +HETATM 16 CB HYP A 3 2.292 -3.492 4.720 1.00 82.64 C +HETATM 17 CG HYP A 3 3.058 -3.905 5.975 1.00 77.58 C +HETATM 18 CD HYP A 3 3.370 -5.395 5.686 1.00 84.18 C +HETATM 19 OD1 HYP A 3 2.183 -3.826 7.076 1.00 78.36 O +ATOM 20 N GLY A 4 0.031 -4.451 2.470 1.00 88.01 N +ATOM 21 CA GLY A 4 -0.258 -4.467 1.059 1.00 87.98 C +ATOM 22 C GLY A 4 0.591 -3.460 0.304 1.00 88.83 C +ATOM 23 O GLY A 4 1.260 -2.614 0.893 1.00 88.08 O +ATOM 24 N PRO A 5 0.567 -3.564 -1.010 1.00 84.53 N +ATOM 25 CA PRO A 5 1.350 -2.642 -1.822 1.00 84.88 C +ATOM 26 C PRO A 5 0.740 -1.246 -1.819 1.00 84.61 C +ATOM 27 O PRO A 5 -0.422 -1.058 -1.486 1.00 82.57 O +ATOM 28 CB PRO A 5 1.289 -3.264 -3.205 1.00 83.32 C +ATOM 29 CG PRO A 5 -0.023 -3.977 -3.220 1.00 81.23 C +ATOM 30 CD PRO A 5 -0.201 -4.498 -1.824 1.00 81.56 C +HETATM 31 N HYP A 6 1.567 -0.275 -2.191 1.00 85.28 N +HETATM 32 CA HYP A 6 1.050 1.058 -2.366 1.00 86.58 C +HETATM 33 C HYP A 6 -0.052 1.129 -3.374 1.00 86.05 C +HETATM 34 O HYP A 6 -0.087 0.324 -4.343 1.00 85.51 O +HETATM 35 CB HYP A 6 2.335 1.798 -2.877 1.00 80.71 C +HETATM 36 CG HYP A 6 3.487 1.009 -2.291 1.00 78.91 C +HETATM 37 CD HYP A 6 2.984 -0.415 -2.409 1.00 84.71 C +HETATM 38 OD1 HYP A 6 3.636 1.338 -0.931 1.00 81.96 O +ATOM 39 N GLY A 7 -0.991 1.976 -3.139 1.00 87.14 N +ATOM 40 CA GLY A 7 -2.079 2.174 -4.063 1.00 86.37 C +ATOM 41 C GLY A 7 -1.600 2.766 -5.370 1.00 86.52 C +ATOM 42 O GLY A 7 -0.442 3.172 -5.517 1.00 85.06 O +ATOM 43 N PRO A 8 -2.495 2.816 -6.334 1.00 83.52 N +ATOM 44 CA PRO A 8 -2.131 3.389 -7.620 1.00 83.09 C +ATOM 45 C PRO A 8 -1.941 4.894 -7.517 1.00 82.30 C +ATOM 46 O PRO A 8 -2.410 5.537 -6.594 1.00 80.16 O +ATOM 47 CB PRO A 8 -3.315 3.034 -8.510 1.00 81.57 C +ATOM 48 CG PRO A 8 -4.456 2.954 -7.565 1.00 81.59 C +ATOM 49 CD PRO A 8 -3.889 2.395 -6.287 1.00 81.56 C +HETATM 50 N HYP A 9 -1.234 5.459 -8.508 1.00 79.05 N +HETATM 51 CA HYP A 9 -1.109 6.847 -8.574 1.00 79.55 C +HETATM 52 C HYP A 9 -2.420 7.545 -8.721 1.00 80.89 C +HETATM 53 O HYP A 9 -3.371 7.007 -9.303 1.00 81.90 O +HETATM 54 CB HYP A 9 -0.285 7.057 -9.897 1.00 75.24 C +HETATM 55 CG HYP A 9 0.476 5.823 -10.055 1.00 72.07 C +HETATM 56 CD HYP A 9 -0.448 4.773 -9.561 1.00 79.18 C +HETATM 57 OD1 HYP A 9 1.619 5.873 -9.219 1.00 73.32 O +ATOM 58 N GLY A 10 -2.565 8.662 -8.120 1.00 84.43 N +ATOM 59 CA GLY A 10 -3.703 9.513 -8.391 1.00 80.18 C +ATOM 60 C GLY A 10 -3.659 9.977 -9.829 1.00 80.21 C +ATOM 61 O GLY A 10 -2.778 9.600 -10.602 1.00 78.55 O +ATOM 62 N SER A 11 -4.609 10.816 -10.169 1.00 79.52 N +ATOM 63 CA SER A 11 -4.672 11.272 -11.554 1.00 82.30 C +ATOM 64 C SER A 11 -3.362 11.903 -12.010 1.00 82.98 C +ATOM 65 O SER A 11 -2.996 11.797 -13.186 1.00 80.29 O +ATOM 66 CB SER A 11 -5.825 12.257 -11.727 1.00 78.05 C +ATOM 67 OG SER A 11 -5.650 13.376 -10.904 1.00 72.08 O +ATOM 68 N ALA A 12 -2.656 12.534 -11.086 1.00 77.94 N +ATOM 69 CA ALA A 12 -1.337 13.090 -11.347 1.00 82.16 C +ATOM 70 C ALA A 12 -0.479 13.032 -10.094 1.00 83.92 C +ATOM 71 O ALA A 12 0.428 13.846 -9.922 1.00 78.55 O +ATOM 72 CB ALA A 12 -1.452 14.524 -11.859 1.00 77.93 C +ATOM 73 N GLY A 13 -0.758 12.079 -9.220 1.00 85.45 N +ATOM 74 CA GLY A 13 -0.165 12.069 -7.899 1.00 83.89 C +ATOM 75 C GLY A 13 0.602 10.809 -7.576 1.00 84.00 C +ATOM 76 O GLY A 13 0.730 9.906 -8.401 1.00 84.47 O +ATOM 77 N PRO A 14 1.137 10.765 -6.375 1.00 87.72 N +ATOM 78 CA PRO A 14 1.950 9.632 -5.940 1.00 86.97 C +ATOM 79 C PRO A 14 1.093 8.417 -5.618 1.00 87.13 C +ATOM 80 O PRO A 14 -0.118 8.506 -5.487 1.00 84.25 O +ATOM 81 CB PRO A 14 2.641 10.167 -4.690 1.00 85.27 C +ATOM 82 CG PRO A 14 1.672 11.139 -4.129 1.00 84.63 C +ATOM 83 CD PRO A 14 1.014 11.784 -5.320 1.00 84.09 C +HETATM 84 N HYP A 15 1.791 7.318 -5.474 1.00 86.45 N +HETATM 85 CA HYP A 15 1.126 6.120 -5.023 1.00 85.46 C +HETATM 86 C HYP A 15 0.453 6.294 -3.688 1.00 89.46 C +HETATM 87 O HYP A 15 0.916 7.094 -2.837 1.00 88.36 O +HETATM 88 CB HYP A 15 2.330 5.145 -4.906 1.00 84.20 C +HETATM 89 CG HYP A 15 3.333 5.656 -5.929 1.00 81.04 C +HETATM 90 CD HYP A 15 3.194 7.154 -5.802 1.00 86.51 C +HETATM 91 OD1 HYP A 15 2.940 5.219 -7.206 1.00 83.06 O +ATOM 92 N GLY A 16 -0.622 5.598 -3.495 1.00 89.82 N +ATOM 93 CA GLY A 16 -1.280 5.594 -2.216 1.00 89.36 C +ATOM 94 C GLY A 16 -0.455 4.895 -1.154 1.00 90.11 C +ATOM 95 O GLY A 16 0.602 4.321 -1.438 1.00 89.82 O +ATOM 96 N PRO A 17 -0.930 4.952 0.083 1.00 88.91 N +ATOM 97 CA PRO A 17 -0.202 4.324 1.178 1.00 88.58 C +ATOM 98 C PRO A 17 -0.267 2.808 1.099 1.00 89.30 C +ATOM 99 O PRO A 17 -1.110 2.242 0.412 1.00 87.83 O +ATOM 100 CB PRO A 17 -0.915 4.856 2.421 1.00 87.66 C +ATOM 101 CG PRO A 17 -2.296 5.126 1.946 1.00 86.78 C +ATOM 102 CD PRO A 17 -2.158 5.594 0.529 1.00 87.27 C +HETATM 103 N HYP A 18 0.656 2.167 1.823 1.00 84.85 N +HETATM 104 CA HYP A 18 0.601 0.751 1.929 1.00 84.78 C +HETATM 105 C HYP A 18 -0.693 0.250 2.507 1.00 86.56 C +HETATM 106 O HYP A 18 -1.322 0.931 3.349 1.00 86.56 O +HETATM 107 CB HYP A 18 1.774 0.447 2.913 1.00 82.13 C +HETATM 108 CG HYP A 18 2.718 1.618 2.745 1.00 82.22 C +HETATM 109 CD HYP A 18 1.750 2.768 2.535 1.00 86.46 C +HETATM 110 OD1 HYP A 18 3.485 1.430 1.545 1.00 84.06 O +ATOM 111 N GLY A 19 -1.132 -0.863 2.009 1.00 86.44 N +ATOM 112 CA GLY A 19 -2.321 -1.487 2.528 1.00 86.76 C +ATOM 113 C GLY A 19 -2.117 -2.001 3.936 1.00 87.11 C +ATOM 114 O GLY A 19 -1.007 -2.005 4.469 1.00 87.03 O +ATOM 115 N PRO A 20 -3.198 -2.439 4.555 1.00 69.61 N +ATOM 116 CA PRO A 20 -3.111 -2.963 5.905 1.00 72.08 C +ATOM 117 C PRO A 20 -2.434 -4.323 5.926 1.00 71.11 C +ATOM 118 O PRO A 20 -2.281 -4.974 4.897 1.00 74.39 O +ATOM 119 CB PRO A 20 -4.574 -3.065 6.327 1.00 71.82 C +ATOM 120 CG PRO A 20 -5.294 -3.290 5.044 1.00 68.52 C +ATOM 121 CD PRO A 20 -4.547 -2.491 4.016 1.00 67.10 C +HETATM 122 N HYP A 21 -2.013 -4.720 7.113 1.00 81.65 N +HETATM 123 CA HYP A 21 -1.486 -6.050 7.269 1.00 80.27 C +HETATM 124 C HYP A 21 -2.440 -7.136 6.809 1.00 81.37 C +HETATM 125 O HYP A 21 -3.654 -6.935 6.909 1.00 87.65 O +HETATM 126 CB HYP A 21 -1.195 -6.145 8.780 1.00 80.34 C +HETATM 127 CG HYP A 21 -0.957 -4.705 9.216 1.00 73.24 C +HETATM 128 CD HYP A 21 -1.949 -3.934 8.353 1.00 81.37 C +HETATM 129 OD1 HYP A 21 0.365 -4.310 8.834 1.00 76.46 O +ATOM 130 N GLY A 22 -1.903 -8.154 6.211 1.00 82.44 N +ATOM 131 CA GLY A 22 -2.706 -9.252 5.741 1.00 79.29 C +ATOM 132 C GLY A 22 -3.394 -9.988 6.871 1.00 78.73 C +ATOM 133 O GLY A 22 -3.214 -9.673 8.046 1.00 78.06 O +ATOM 134 N PRO A 23 -4.190 -11.000 6.516 1.00 86.12 N +ATOM 135 CA PRO A 23 -4.939 -11.737 7.523 1.00 86.58 C +ATOM 136 C PRO A 23 -4.031 -12.578 8.402 1.00 84.74 C +ATOM 137 O PRO A 23 -2.903 -12.908 8.035 1.00 81.08 O +ATOM 138 CB PRO A 23 -5.875 -12.608 6.696 1.00 82.97 C +ATOM 139 CG PRO A 23 -5.161 -12.779 5.408 1.00 80.02 C +ATOM 140 CD PRO A 23 -4.418 -11.500 5.175 1.00 81.04 C +HETATM 141 N HYP A 24 -4.433 -12.943 9.488 1.00 87.16 N +HETATM 142 CA HYP A 24 -3.673 -13.745 10.436 1.00 81.53 C +HETATM 143 C HYP A 24 -3.181 -15.047 9.882 1.00 79.05 C +HETATM 144 O HYP A 24 -3.848 -15.621 9.054 1.00 79.39 O +HETATM 145 CB HYP A 24 -4.729 -14.089 11.530 1.00 81.15 C +HETATM 146 CG HYP A 24 -5.938 -13.234 11.288 1.00 79.73 C +HETATM 147 CD HYP A 24 -5.843 -12.874 9.830 1.00 85.29 C +HETATM 148 OD1 HYP A 24 -5.834 -12.016 12.029 1.00 80.22 O +HETATM 149 OXT HYP A 24 -2.134 -15.580 10.402 1.00 78.06 O +TER 150 HYP A 24 +END diff --git a/protein_pdb_257.txt b/protein_pdb_257.txt new file mode 100644 index 0000000000000000000000000000000000000000..ff47f551cf5221c97fdeda4e62bcae194a36aac3 --- /dev/null +++ b/protein_pdb_257.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -0.207 -13.596 3.508 1.00 80.74 N +ATOM 2 CA GLY A 1 0.816 -13.026 2.647 1.00 82.23 C +ATOM 3 C GLY A 1 1.239 -11.667 3.144 1.00 83.53 C +ATOM 4 O GLY A 1 0.691 -11.149 4.109 1.00 79.96 O +ATOM 5 N PRO A 2 2.234 -11.020 2.488 1.00 80.84 N +ATOM 6 CA PRO A 2 2.722 -9.712 2.905 1.00 82.38 C +ATOM 7 C PRO A 2 1.720 -8.613 2.588 1.00 82.43 C +ATOM 8 O PRO A 2 0.801 -8.792 1.804 1.00 79.04 O +ATOM 9 CB PRO A 2 4.000 -9.544 2.095 1.00 78.70 C +ATOM 10 CG PRO A 2 3.776 -10.367 0.884 1.00 75.72 C +ATOM 11 CD PRO A 2 2.942 -11.532 1.317 1.00 75.55 C +HETATM 12 N HYP A 3 1.939 -7.511 3.224 1.00 82.07 N +HETATM 13 CA HYP A 3 1.097 -6.317 2.936 1.00 81.66 C +HETATM 14 C HYP A 3 1.184 -5.920 1.485 1.00 84.68 C +HETATM 15 O HYP A 3 2.238 -6.131 0.835 1.00 87.61 O +HETATM 16 CB HYP A 3 1.795 -5.224 3.819 1.00 82.78 C +HETATM 17 CG HYP A 3 2.436 -6.002 4.975 1.00 79.81 C +HETATM 18 CD HYP A 3 2.931 -7.293 4.262 1.00 82.80 C +HETATM 19 OD1 HYP A 3 1.441 -6.350 5.897 1.00 81.84 O +ATOM 20 N GLY A 4 0.070 -5.452 0.977 1.00 88.20 N +ATOM 21 CA GLY A 4 0.053 -4.969 -0.376 1.00 88.05 C +ATOM 22 C GLY A 4 0.871 -3.699 -0.527 1.00 88.91 C +ATOM 23 O GLY A 4 1.275 -3.083 0.453 1.00 88.53 O +ATOM 24 N PRO A 5 1.119 -3.320 -1.763 1.00 85.44 N +ATOM 25 CA PRO A 5 1.896 -2.114 -2.007 1.00 85.26 C +ATOM 26 C PRO A 5 1.106 -0.863 -1.661 1.00 85.14 C +ATOM 27 O PRO A 5 -0.118 -0.889 -1.579 1.00 83.28 O +ATOM 28 CB PRO A 5 2.195 -2.189 -3.501 1.00 83.19 C +ATOM 29 CG PRO A 5 1.040 -2.944 -4.058 1.00 81.56 C +ATOM 30 CD PRO A 5 0.674 -3.949 -3.004 1.00 83.11 C +HETATM 31 N HYP A 6 1.849 0.219 -1.461 1.00 84.38 N +HETATM 32 CA HYP A 6 1.190 1.494 -1.272 1.00 87.08 C +HETATM 33 C HYP A 6 0.325 1.861 -2.447 1.00 86.27 C +HETATM 34 O HYP A 6 0.615 1.473 -3.602 1.00 86.90 O +HETATM 35 CB HYP A 6 2.430 2.449 -1.182 1.00 81.21 C +HETATM 36 CG HYP A 6 3.544 1.585 -0.647 1.00 80.76 C +HETATM 37 CD HYP A 6 3.291 0.263 -1.351 1.00 85.66 C +HETATM 38 OD1 HYP A 6 3.386 1.416 0.749 1.00 83.64 O +ATOM 39 N GLY A 7 -0.762 2.507 -2.173 1.00 87.72 N +ATOM 40 CA GLY A 7 -1.630 2.968 -3.224 1.00 85.85 C +ATOM 41 C GLY A 7 -0.959 4.014 -4.079 1.00 86.60 C +ATOM 42 O GLY A 7 0.113 4.528 -3.756 1.00 85.45 O +ATOM 43 N PRO A 8 -1.588 4.327 -5.190 1.00 85.24 N +ATOM 44 CA PRO A 8 -1.023 5.338 -6.073 1.00 85.05 C +ATOM 45 C PRO A 8 -1.136 6.724 -5.460 1.00 85.02 C +ATOM 46 O PRO A 8 -1.942 6.966 -4.575 1.00 83.16 O +ATOM 47 CB PRO A 8 -1.868 5.215 -7.336 1.00 82.17 C +ATOM 48 CG PRO A 8 -3.181 4.729 -6.836 1.00 80.83 C +ATOM 49 CD PRO A 8 -2.861 3.816 -5.687 1.00 81.68 C +HETATM 50 N HYP A 9 -0.296 7.629 -5.961 1.00 80.67 N +HETATM 51 CA HYP A 9 -0.408 8.982 -5.550 1.00 81.77 C +HETATM 52 C HYP A 9 -1.737 9.579 -5.925 1.00 83.78 C +HETATM 53 O HYP A 9 -2.343 9.197 -6.930 1.00 83.00 O +HETATM 54 CB HYP A 9 0.702 9.688 -6.394 1.00 77.41 C +HETATM 55 CG HYP A 9 1.686 8.616 -6.695 1.00 75.60 C +HETATM 56 CD HYP A 9 0.850 7.393 -6.873 1.00 82.37 C +HETATM 57 OD1 HYP A 9 2.514 8.447 -5.560 1.00 75.70 O +ATOM 58 N GLY A 10 -2.256 10.426 -5.120 1.00 85.38 N +ATOM 59 CA GLY A 10 -3.406 11.199 -5.502 1.00 81.45 C +ATOM 60 C GLY A 10 -3.034 12.177 -6.592 1.00 81.44 C +ATOM 61 O GLY A 10 -1.927 12.144 -7.137 1.00 78.99 O +ATOM 62 N VAL A 11 -3.958 13.056 -6.908 1.00 84.13 N +ATOM 63 CA VAL A 11 -3.657 14.071 -7.908 1.00 86.41 C +ATOM 64 C VAL A 11 -2.378 14.814 -7.537 1.00 86.07 C +ATOM 65 O VAL A 11 -1.521 15.076 -8.389 1.00 84.85 O +ATOM 66 CB VAL A 11 -4.841 15.037 -8.083 1.00 84.50 C +ATOM 67 CG1 VAL A 11 -4.492 16.153 -9.047 1.00 78.13 C +ATOM 68 CG2 VAL A 11 -6.060 14.277 -8.581 1.00 78.87 C +ATOM 69 N VAL A 12 -2.263 15.118 -6.252 1.00 86.16 N +ATOM 70 CA VAL A 12 -1.058 15.710 -5.692 1.00 88.07 C +ATOM 71 C VAL A 12 -0.463 14.815 -4.617 1.00 88.12 C +ATOM 72 O VAL A 12 0.760 14.670 -4.527 1.00 85.02 O +ATOM 73 CB VAL A 12 -1.367 17.115 -5.103 1.00 84.39 C +ATOM 74 CG1 VAL A 12 -0.162 17.681 -4.383 1.00 77.14 C +ATOM 75 CG2 VAL A 12 -1.817 18.055 -6.204 1.00 77.68 C +ATOM 76 N GLY A 13 -1.320 14.237 -3.816 1.00 90.57 N +ATOM 77 CA GLY A 13 -0.943 13.616 -2.568 1.00 89.84 C +ATOM 78 C GLY A 13 -0.024 12.413 -2.650 1.00 90.71 C +ATOM 79 O GLY A 13 0.325 11.925 -3.728 1.00 90.77 O +ATOM 80 N PRO A 14 0.365 11.950 -1.475 1.00 89.31 N +ATOM 81 CA PRO A 14 1.311 10.849 -1.350 1.00 88.88 C +ATOM 82 C PRO A 14 0.667 9.509 -1.667 1.00 89.41 C +ATOM 83 O PRO A 14 -0.541 9.395 -1.790 1.00 87.57 O +ATOM 84 CB PRO A 14 1.724 10.923 0.116 1.00 87.14 C +ATOM 85 CG PRO A 14 0.503 11.432 0.795 1.00 86.95 C +ATOM 86 CD PRO A 14 -0.098 12.417 -0.169 1.00 87.18 C +HETATM 87 N HYP A 15 1.547 8.528 -1.739 1.00 88.96 N +HETATM 88 CA HYP A 15 1.036 7.183 -1.916 1.00 90.08 C +HETATM 89 C HYP A 15 0.109 6.789 -0.798 1.00 91.58 C +HETATM 90 O HYP A 15 0.264 7.249 0.359 1.00 88.86 O +HETATM 91 CB HYP A 15 2.358 6.356 -1.824 1.00 85.83 C +HETATM 92 CG HYP A 15 3.459 7.310 -2.277 1.00 84.03 C +HETATM 93 CD HYP A 15 3.018 8.632 -1.692 1.00 88.51 C +HETATM 94 OD1 HYP A 15 3.474 7.378 -3.677 1.00 85.90 O +ATOM 95 N GLY A 16 -0.869 6.001 -1.128 1.00 92.01 N +ATOM 96 CA GLY A 16 -1.746 5.484 -0.122 1.00 90.95 C +ATOM 97 C GLY A 16 -1.037 4.515 0.802 1.00 91.73 C +ATOM 98 O GLY A 16 0.123 4.156 0.586 1.00 91.27 O +ATOM 99 N PRO A 17 -1.742 4.098 1.846 1.00 89.30 N +ATOM 100 CA PRO A 17 -1.144 3.166 2.795 1.00 88.58 C +ATOM 101 C PRO A 17 -0.970 1.785 2.187 1.00 89.42 C +ATOM 102 O PRO A 17 -1.594 1.447 1.186 1.00 87.44 O +ATOM 103 CB PRO A 17 -2.145 3.153 3.950 1.00 87.00 C +ATOM 104 CG PRO A 17 -3.437 3.498 3.312 1.00 86.79 C +ATOM 105 CD PRO A 17 -3.111 4.448 2.203 1.00 87.04 C +HETATM 106 N HYP A 18 -0.090 0.996 2.813 1.00 81.29 N +HETATM 107 CA HYP A 18 0.046 -0.355 2.403 1.00 85.38 C +HETATM 108 C HYP A 18 -1.253 -1.119 2.501 1.00 87.15 C +HETATM 109 O HYP A 18 -2.092 -0.849 3.390 1.00 86.31 O +HETATM 110 CB HYP A 18 1.058 -0.922 3.446 1.00 81.28 C +HETATM 111 CG HYP A 18 1.875 0.294 3.869 1.00 81.49 C +HETATM 112 CD HYP A 18 0.809 1.374 3.899 1.00 86.44 C +HETATM 113 OD1 HYP A 18 2.836 0.581 2.851 1.00 84.45 O +ATOM 114 N GLY A 19 -1.465 -1.989 1.558 1.00 86.50 N +ATOM 115 CA GLY A 19 -2.634 -2.824 1.581 1.00 86.19 C +ATOM 116 C GLY A 19 -2.609 -3.790 2.741 1.00 86.71 C +ATOM 117 O GLY A 19 -1.605 -3.933 3.439 1.00 86.67 O +ATOM 118 N PRO A 20 -3.729 -4.458 2.956 1.00 73.71 N +ATOM 119 CA PRO A 20 -3.805 -5.422 4.038 1.00 74.25 C +ATOM 120 C PRO A 20 -2.975 -6.655 3.730 1.00 73.61 C +ATOM 121 O PRO A 20 -2.596 -6.901 2.587 1.00 75.47 O +ATOM 122 CB PRO A 20 -5.288 -5.750 4.107 1.00 72.51 C +ATOM 123 CG PRO A 20 -5.774 -5.522 2.720 1.00 69.92 C +ATOM 124 CD PRO A 20 -4.966 -4.381 2.186 1.00 69.82 C +HETATM 125 N HYP A 21 -2.681 -7.395 4.783 1.00 81.16 N +HETATM 126 CA HYP A 21 -2.018 -8.657 4.573 1.00 80.48 C +HETATM 127 C HYP A 21 -2.742 -9.566 3.623 1.00 81.06 C +HETATM 128 O HYP A 21 -3.972 -9.512 3.578 1.00 86.75 O +HETATM 129 CB HYP A 21 -1.888 -9.237 5.983 1.00 79.53 C +HETATM 130 CG HYP A 21 -1.882 -8.008 6.896 1.00 75.19 C +HETATM 131 CD HYP A 21 -2.861 -7.086 6.214 1.00 82.76 C +HETATM 132 OD1 HYP A 21 -0.593 -7.401 6.860 1.00 77.36 O +ATOM 133 N GLY A 22 -2.008 -10.253 2.796 1.00 82.11 N +ATOM 134 CA GLY A 22 -2.593 -11.167 1.853 1.00 79.16 C +ATOM 135 C GLY A 22 -3.284 -12.330 2.539 1.00 78.74 C +ATOM 136 O GLY A 22 -3.288 -12.437 3.765 1.00 78.41 O +ATOM 137 N PRO A 23 -3.867 -13.217 1.741 1.00 83.71 N +ATOM 138 CA PRO A 23 -4.593 -14.346 2.307 1.00 83.56 C +ATOM 139 C PRO A 23 -3.664 -15.316 3.018 1.00 82.33 C +ATOM 140 O PRO A 23 -2.461 -15.340 2.790 1.00 78.99 O +ATOM 141 CB PRO A 23 -5.258 -14.989 1.100 1.00 79.54 C +ATOM 142 CG PRO A 23 -4.457 -14.547 -0.054 1.00 76.89 C +ATOM 143 CD PRO A 23 -3.877 -13.213 0.296 1.00 77.69 C +HETATM 144 N HYP A 24 -4.138 -16.103 3.826 1.00 86.67 N +HETATM 145 CA HYP A 24 -3.384 -17.018 4.613 1.00 82.22 C +HETATM 146 C HYP A 24 -2.345 -17.821 3.890 1.00 79.69 C +HETATM 147 O HYP A 24 -2.471 -17.942 2.685 1.00 79.55 O +HETATM 148 CB HYP A 24 -4.455 -17.994 5.185 1.00 80.76 C +HETATM 149 CG HYP A 24 -5.789 -17.393 4.870 1.00 81.59 C +HETATM 150 CD HYP A 24 -5.532 -16.464 3.730 1.00 85.89 C +HETATM 151 OD1 HYP A 24 -6.255 -16.599 5.953 1.00 81.78 O +HETATM 152 OXT HYP A 24 -1.451 -18.438 4.557 1.00 78.15 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_258.txt b/protein_pdb_258.txt new file mode 100644 index 0000000000000000000000000000000000000000..33704150e0de1815ff2bca426f136a61ccfe9ebb --- /dev/null +++ b/protein_pdb_258.txt @@ -0,0 +1,208 @@ +ATOM 1 N GLY A 1 46.129 -12.475 -5.411 1.00 92.32 N +ATOM 2 CA GLY A 1 45.003 -13.340 -5.063 1.00 93.10 C +ATOM 3 C GLY A 1 43.802 -13.104 -5.952 1.00 93.44 C +ATOM 4 O GLY A 1 43.827 -12.183 -6.778 1.00 90.81 O +ATOM 5 N PRO A 2 42.733 -13.878 -5.799 1.00 96.42 N +ATOM 6 CA PRO A 2 41.530 -13.711 -6.621 1.00 96.35 C +ATOM 7 C PRO A 2 40.765 -12.443 -6.240 1.00 96.64 C +ATOM 8 O PRO A 2 40.927 -11.911 -5.150 1.00 95.14 O +ATOM 9 CB PRO A 2 40.710 -14.969 -6.324 1.00 94.32 C +ATOM 10 CG PRO A 2 41.125 -15.335 -4.939 1.00 91.76 C +ATOM 11 CD PRO A 2 42.592 -14.988 -4.855 1.00 94.13 C +HETATM 12 N HYP A 3 39.999 -11.951 -7.127 1.00 96.29 N +HETATM 13 CA HYP A 3 39.101 -10.820 -6.908 1.00 96.57 C +HETATM 14 C HYP A 3 38.140 -11.074 -5.696 1.00 96.28 C +HETATM 15 O HYP A 3 37.768 -12.226 -5.456 1.00 95.71 O +HETATM 16 CB HYP A 3 38.296 -10.671 -8.211 1.00 96.32 C +HETATM 17 CG HYP A 3 39.166 -11.288 -9.222 1.00 95.37 C +HETATM 18 CD HYP A 3 39.886 -12.429 -8.467 1.00 95.98 C +HETATM 19 OD1 HYP A 3 40.105 -10.397 -9.715 1.00 96.52 O +ATOM 20 N GLY A 4 37.803 -9.972 -5.008 1.00 97.19 N +ATOM 21 CA GLY A 4 36.924 -10.084 -3.867 1.00 96.02 C +ATOM 22 C GLY A 4 35.546 -10.600 -4.265 1.00 95.73 C +ATOM 23 O GLY A 4 35.136 -10.492 -5.422 1.00 95.03 O +ATOM 24 N ALA A 5 34.819 -11.157 -3.278 1.00 96.68 N +ATOM 25 CA ALA A 5 33.488 -11.692 -3.519 1.00 95.61 C +ATOM 26 C ALA A 5 32.493 -10.571 -3.826 1.00 95.39 C +ATOM 27 O ALA A 5 32.633 -9.441 -3.361 1.00 93.23 O +ATOM 28 CB ALA A 5 33.016 -12.492 -2.304 1.00 93.07 C +ATOM 29 N LYS A 6 31.450 -10.892 -4.625 1.00 95.63 N +ATOM 30 CA LYS A 6 30.391 -9.941 -4.938 1.00 95.12 C +ATOM 31 C LYS A 6 29.601 -9.624 -3.668 1.00 95.40 C +ATOM 32 O LYS A 6 29.391 -10.494 -2.828 1.00 94.26 O +ATOM 33 CB LYS A 6 29.474 -10.537 -6.012 1.00 91.07 C +ATOM 34 CG LYS A 6 28.326 -9.635 -6.442 1.00 84.88 C +ATOM 35 CD LYS A 6 27.508 -10.285 -7.539 1.00 83.32 C +ATOM 36 CE LYS A 6 26.277 -9.479 -7.899 1.00 76.41 C +ATOM 37 NZ LYS A 6 26.611 -8.146 -8.439 1.00 72.62 N +ATOM 38 N GLY A 7 29.169 -8.383 -3.527 1.00 96.96 N +ATOM 39 CA GLY A 7 28.400 -7.988 -2.357 1.00 96.11 C +ATOM 40 C GLY A 7 27.059 -8.697 -2.288 1.00 96.25 C +ATOM 41 O GLY A 7 26.544 -9.189 -3.294 1.00 95.71 O +ATOM 42 N GLU A 8 26.482 -8.734 -1.087 1.00 97.24 N +ATOM 43 CA GLU A 8 25.203 -9.403 -0.897 1.00 97.24 C +ATOM 44 C GLU A 8 24.071 -8.581 -1.489 1.00 97.89 C +ATOM 45 O GLU A 8 24.178 -7.369 -1.635 1.00 97.03 O +ATOM 46 CB GLU A 8 24.947 -9.685 0.584 1.00 95.45 C +ATOM 47 CG GLU A 8 24.901 -8.440 1.461 1.00 88.12 C +ATOM 48 CD GLU A 8 24.786 -8.775 2.942 1.00 84.05 C +ATOM 49 OE1 GLU A 8 24.018 -9.697 3.274 1.00 79.39 O +ATOM 50 OE2 GLU A 8 25.454 -8.110 3.747 1.00 79.12 O +HETATM 51 N HYP A 9 22.989 -9.223 -1.803 1.00 97.30 N +HETATM 52 CA HYP A 9 21.808 -8.570 -2.348 1.00 97.58 C +HETATM 53 C HYP A 9 21.205 -7.634 -1.370 1.00 96.93 C +HETATM 54 O HYP A 9 21.285 -7.872 -0.167 1.00 96.13 O +HETATM 55 CB HYP A 9 20.818 -9.750 -2.650 1.00 97.38 C +HETATM 56 CG HYP A 9 21.693 -10.949 -2.753 1.00 96.69 C +HETATM 57 CD HYP A 9 22.813 -10.635 -1.806 1.00 97.03 C +HETATM 58 OD1 HYP A 9 22.208 -11.112 -4.061 1.00 96.06 O +ATOM 59 N GLY A 10 20.595 -6.527 -1.853 1.00 97.83 N +ATOM 60 CA GLY A 10 19.975 -5.543 -0.979 1.00 97.12 C +ATOM 61 C GLY A 10 18.759 -6.115 -0.267 1.00 97.19 C +ATOM 62 O GLY A 10 18.225 -7.156 -0.652 1.00 96.68 O +ATOM 63 N ASP A 11 18.305 -5.396 0.780 1.00 98.01 N +ATOM 64 CA ASP A 11 17.136 -5.814 1.545 1.00 97.60 C +ATOM 65 C ASP A 11 15.867 -5.668 0.715 1.00 97.53 C +ATOM 66 O ASP A 11 15.801 -4.873 -0.226 1.00 96.21 O +ATOM 67 CB ASP A 11 16.987 -4.969 2.814 1.00 96.30 C +ATOM 68 CG ASP A 11 18.137 -5.142 3.794 1.00 92.59 C +ATOM 69 OD1 ASP A 11 18.748 -6.222 3.811 1.00 89.65 O +ATOM 70 OD2 ASP A 11 18.401 -4.178 4.544 1.00 87.62 O +ATOM 71 N ALA A 12 14.816 -6.412 1.104 1.00 96.76 N +ATOM 72 CA ALA A 12 13.519 -6.304 0.441 1.00 96.50 C +ATOM 73 C ALA A 12 12.942 -4.916 0.699 1.00 96.69 C +ATOM 74 O ALA A 12 13.178 -4.311 1.745 1.00 94.46 O +ATOM 75 CB ALA A 12 12.569 -7.376 0.955 1.00 94.47 C +ATOM 76 N GLY A 13 12.185 -4.394 -0.260 1.00 96.17 N +ATOM 77 CA GLY A 13 11.575 -3.087 -0.104 1.00 95.73 C +ATOM 78 C GLY A 13 10.545 -3.061 1.012 1.00 96.17 C +ATOM 79 O GLY A 13 10.008 -4.093 1.404 1.00 95.71 O +ATOM 80 N ALA A 14 10.265 -1.862 1.509 1.00 96.49 N +ATOM 81 CA ALA A 14 9.273 -1.691 2.564 1.00 96.40 C +ATOM 82 C ALA A 14 7.878 -1.985 2.035 1.00 96.79 C +ATOM 83 O ALA A 14 7.594 -1.842 0.844 1.00 95.11 O +ATOM 84 CB ALA A 14 9.331 -0.267 3.109 1.00 94.57 C +ATOM 85 N LYS A 15 6.977 -2.384 2.944 1.00 95.81 N +ATOM 86 CA LYS A 15 5.584 -2.638 2.577 1.00 96.41 C +ATOM 87 C LYS A 15 4.954 -1.338 2.088 1.00 95.91 C +ATOM 88 O LYS A 15 5.214 -0.265 2.636 1.00 93.59 O +ATOM 89 CB LYS A 15 4.817 -3.185 3.795 1.00 93.79 C +ATOM 90 CG LYS A 15 3.354 -3.494 3.536 1.00 88.66 C +ATOM 91 CD LYS A 15 2.689 -4.090 4.762 1.00 85.00 C +ATOM 92 CE LYS A 15 1.208 -4.295 4.565 1.00 78.58 C +ATOM 93 NZ LYS A 15 0.910 -5.260 3.482 1.00 73.17 N +ATOM 94 N GLY A 16 4.136 -1.429 1.045 1.00 96.96 N +ATOM 95 CA GLY A 16 3.490 -0.252 0.500 1.00 96.39 C +ATOM 96 C GLY A 16 2.476 0.365 1.456 1.00 96.63 C +ATOM 97 O GLY A 16 2.003 -0.289 2.387 1.00 96.27 O +ATOM 98 N ASP A 17 2.131 1.638 1.221 1.00 97.02 N +ATOM 99 CA ASP A 17 1.141 2.339 2.034 1.00 96.91 C +ATOM 100 C ASP A 17 -0.250 1.781 1.770 1.00 97.20 C +ATOM 101 O ASP A 17 -0.527 1.234 0.707 1.00 96.08 O +ATOM 102 CB ASP A 17 1.141 3.834 1.720 1.00 94.95 C +ATOM 103 CG ASP A 17 2.436 4.527 2.080 1.00 90.40 C +ATOM 104 OD1 ASP A 17 3.142 4.061 3.001 1.00 86.43 O +ATOM 105 OD2 ASP A 17 2.747 5.549 1.438 1.00 84.91 O +ATOM 106 N ALA A 18 -1.156 1.955 2.743 1.00 95.05 N +ATOM 107 CA ALA A 18 -2.537 1.548 2.566 1.00 95.83 C +ATOM 108 C ALA A 18 -3.169 2.395 1.461 1.00 96.26 C +ATOM 109 O ALA A 18 -2.814 3.563 1.280 1.00 94.07 O +ATOM 110 CB ALA A 18 -3.316 1.724 3.863 1.00 93.86 C +ATOM 111 N GLY A 19 -4.099 1.814 0.725 1.00 97.49 N +ATOM 112 CA GLY A 19 -4.779 2.541 -0.336 1.00 97.39 C +ATOM 113 C GLY A 19 -5.690 3.623 0.223 1.00 97.72 C +ATOM 114 O GLY A 19 -5.966 3.653 1.427 1.00 97.69 O +ATOM 115 N PRO A 20 -6.178 4.529 -0.632 1.00 96.80 N +ATOM 116 CA PRO A 20 -7.062 5.597 -0.173 1.00 96.96 C +ATOM 117 C PRO A 20 -8.421 5.049 0.240 1.00 97.32 C +ATOM 118 O PRO A 20 -8.817 3.970 -0.173 1.00 96.77 O +ATOM 119 CB PRO A 20 -7.173 6.518 -1.389 1.00 95.43 C +ATOM 120 CG PRO A 20 -6.949 5.608 -2.544 1.00 93.67 C +ATOM 121 CD PRO A 20 -5.917 4.616 -2.071 1.00 95.84 C +HETATM 122 N HYP A 21 -9.167 5.790 1.018 1.00 97.45 N +HETATM 123 CA HYP A 21 -10.496 5.471 1.427 1.00 97.28 C +HETATM 124 C HYP A 21 -11.430 5.326 0.240 1.00 97.77 C +HETATM 125 O HYP A 21 -11.237 6.045 -0.759 1.00 96.99 O +HETATM 126 CB HYP A 21 -10.924 6.622 2.321 1.00 96.01 C +HETATM 127 CG HYP A 21 -9.609 7.217 2.824 1.00 93.92 C +HETATM 128 CD HYP A 21 -8.683 7.018 1.669 1.00 95.94 C +HETATM 129 OD1 HYP A 21 -9.121 6.505 3.942 1.00 94.55 O +ATOM 130 N GLY A 22 -12.383 4.444 0.316 1.00 97.62 N +ATOM 131 CA GLY A 22 -13.343 4.304 -0.744 1.00 97.27 C +ATOM 132 C GLY A 22 -14.262 5.518 -0.804 1.00 97.54 C +ATOM 133 O GLY A 22 -14.237 6.369 0.092 1.00 97.47 O +ATOM 134 N PRO A 23 -15.082 5.616 -1.848 1.00 96.84 N +ATOM 135 CA PRO A 23 -15.993 6.750 -1.974 1.00 96.35 C +ATOM 136 C PRO A 23 -17.098 6.692 -0.925 1.00 96.62 C +ATOM 137 O PRO A 23 -17.407 5.631 -0.393 1.00 96.22 O +ATOM 138 CB PRO A 23 -16.544 6.602 -3.386 1.00 94.77 C +ATOM 139 CG PRO A 23 -16.450 5.140 -3.656 1.00 93.50 C +ATOM 140 CD PRO A 23 -15.187 4.695 -2.972 1.00 95.82 C +HETATM 141 N HYP A 24 -17.729 7.819 -0.650 1.00 96.35 N +HETATM 142 CA HYP A 24 -18.856 7.886 0.259 1.00 96.96 C +HETATM 143 C HYP A 24 -20.002 6.992 -0.224 1.00 97.06 C +HETATM 144 O HYP A 24 -20.176 6.851 -1.440 1.00 95.97 O +HETATM 145 CB HYP A 24 -19.278 9.356 0.253 1.00 94.76 C +HETATM 146 CG HYP A 24 -18.010 10.105 -0.106 1.00 91.00 C +HETATM 147 CD HYP A 24 -17.321 9.160 -1.059 1.00 93.82 C +HETATM 148 OD1 HYP A 24 -17.180 10.282 1.023 1.00 91.82 O +ATOM 149 N GLY A 25 -20.736 6.424 0.709 1.00 96.10 N +ATOM 150 CA GLY A 25 -21.863 5.597 0.356 1.00 95.65 C +ATOM 151 C GLY A 25 -22.967 6.421 -0.279 1.00 96.22 C +ATOM 152 O GLY A 25 -22.936 7.655 -0.245 1.00 96.25 O +ATOM 153 N PRO A 26 -23.970 5.760 -0.860 1.00 95.40 N +ATOM 154 CA PRO A 26 -25.068 6.474 -1.498 1.00 95.08 C +ATOM 155 C PRO A 26 -25.950 7.168 -0.466 1.00 95.41 C +ATOM 156 O PRO A 26 -25.969 6.795 0.702 1.00 94.65 O +ATOM 157 CB PRO A 26 -25.823 5.374 -2.235 1.00 92.60 C +ATOM 158 CG PRO A 26 -25.531 4.154 -1.439 1.00 90.56 C +ATOM 159 CD PRO A 26 -24.113 4.314 -0.972 1.00 94.07 C +HETATM 160 N HYP A 27 -26.697 8.178 -0.873 1.00 95.55 N +HETATM 161 CA HYP A 27 -27.643 8.867 -0.010 1.00 94.95 C +HETATM 162 C HYP A 27 -28.671 7.894 0.556 1.00 95.65 C +HETATM 163 O HYP A 27 -29.017 6.923 -0.098 1.00 94.36 O +HETATM 164 CB HYP A 27 -28.328 9.876 -0.949 1.00 92.94 C +HETATM 165 CG HYP A 27 -27.342 10.124 -2.064 1.00 90.32 C +HETATM 166 CD HYP A 27 -26.632 8.793 -2.193 1.00 93.16 C +HETATM 167 OD1 HYP A 27 -26.390 11.114 -1.698 1.00 90.82 O +ATOM 168 N GLY A 28 -29.119 8.162 1.754 1.00 94.21 N +ATOM 169 CA GLY A 28 -30.144 7.344 2.350 1.00 93.49 C +ATOM 170 C GLY A 28 -31.455 7.491 1.597 1.00 94.31 C +ATOM 171 O GLY A 28 -31.593 8.362 0.735 1.00 93.86 O +ATOM 172 N PRO A 29 -32.456 6.651 1.923 1.00 93.81 N +ATOM 173 CA PRO A 29 -33.735 6.719 1.229 1.00 93.16 C +ATOM 174 C PRO A 29 -34.502 7.988 1.599 1.00 93.63 C +ATOM 175 O PRO A 29 -34.277 8.580 2.645 1.00 92.13 O +ATOM 176 CB PRO A 29 -34.457 5.464 1.708 1.00 90.43 C +ATOM 177 CG PRO A 29 -33.851 5.184 3.036 1.00 88.89 C +ATOM 178 CD PRO A 29 -32.406 5.572 2.905 1.00 92.41 C +HETATM 179 N HYP A 30 -35.438 8.419 0.778 1.00 93.16 N +HETATM 180 CA HYP A 30 -36.252 9.578 1.040 1.00 91.87 C +HETATM 181 C HYP A 30 -37.094 9.391 2.306 1.00 92.85 C +HETATM 182 O HYP A 30 -37.447 8.267 2.623 1.00 91.60 O +HETATM 183 CB HYP A 30 -37.191 9.670 -0.195 1.00 89.13 C +HETATM 184 CG HYP A 30 -36.445 8.969 -1.301 1.00 86.37 C +HETATM 185 CD HYP A 30 -35.671 7.888 -0.558 1.00 89.74 C +HETATM 186 OD1 HYP A 30 -35.515 9.844 -1.941 1.00 86.32 O +ATOM 187 N GLY A 31 -37.354 10.459 3.005 1.00 88.21 N +ATOM 188 CA GLY A 31 -38.191 10.386 4.176 1.00 86.29 C +ATOM 189 C GLY A 31 -39.612 10.017 3.784 1.00 86.92 C +ATOM 190 O GLY A 31 -39.966 10.045 2.603 1.00 84.83 O +ATOM 191 N PRO A 32 -40.471 9.699 4.776 1.00 86.24 N +ATOM 192 CA PRO A 32 -41.850 9.328 4.467 1.00 85.85 C +ATOM 193 C PRO A 32 -42.623 10.512 3.898 1.00 85.62 C +ATOM 194 O PRO A 32 -42.303 11.666 4.167 1.00 80.10 O +ATOM 195 CB PRO A 32 -42.413 8.867 5.808 1.00 80.08 C +ATOM 196 CG PRO A 32 -41.566 9.550 6.808 1.00 76.67 C +ATOM 197 CD PRO A 32 -40.192 9.637 6.204 1.00 80.63 C +HETATM 198 N HYP A 33 -43.675 10.258 3.174 1.00 89.55 N +HETATM 199 CA HYP A 33 -44.416 11.382 2.563 1.00 83.81 C +HETATM 200 C HYP A 33 -44.945 12.350 3.576 1.00 82.69 C +HETATM 201 O HYP A 33 -45.322 11.909 4.665 1.00 81.41 O +HETATM 202 CB HYP A 33 -45.575 10.670 1.801 1.00 83.61 C +HETATM 203 CG HYP A 33 -45.155 9.221 1.657 1.00 80.30 C +HETATM 204 CD HYP A 33 -44.207 8.969 2.814 1.00 85.48 C +HETATM 205 OD1 HYP A 33 -44.447 9.059 0.449 1.00 77.26 O +HETATM 206 OXT HYP A 33 -44.958 13.548 3.191 1.00 82.72 O +TER 207 HYP A 33 +END diff --git a/protein_pdb_259.txt b/protein_pdb_259.txt new file mode 100644 index 0000000000000000000000000000000000000000..1407a232cd395e34e287f5887176034042e9da01 --- /dev/null +++ b/protein_pdb_259.txt @@ -0,0 +1,151 @@ +ATOM 1 N GLY A 1 13.340 -8.668 -1.782 1.00 61.31 N +ATOM 2 CA GLY A 1 14.617 -8.121 -1.942 1.00 63.14 C +ATOM 3 C GLY A 1 14.683 -6.949 -0.994 1.00 62.43 C +ATOM 4 O GLY A 1 14.283 -7.084 0.168 1.00 60.28 O +ATOM 5 N PRO A 2 15.137 -5.821 -1.418 1.00 62.51 N +ATOM 6 CA PRO A 2 14.975 -4.640 -0.578 1.00 68.25 C +ATOM 7 C PRO A 2 13.490 -4.407 -0.348 1.00 67.64 C +ATOM 8 O PRO A 2 12.683 -4.647 -1.238 1.00 66.70 O +ATOM 9 CB PRO A 2 15.590 -3.521 -1.421 1.00 64.61 C +ATOM 10 CG PRO A 2 16.450 -4.224 -2.415 1.00 59.91 C +ATOM 11 CD PRO A 2 15.767 -5.517 -2.689 1.00 59.27 C +HETATM 12 N HYP A 3 13.108 -3.928 0.874 1.00 65.15 N +HETATM 13 CA HYP A 3 11.691 -3.683 1.050 1.00 64.36 C +HETATM 14 C HYP A 3 11.111 -2.757 0.016 1.00 68.29 C +HETATM 15 O HYP A 3 11.729 -1.703 -0.279 1.00 70.22 O +HETATM 16 CB HYP A 3 11.566 -3.110 2.447 1.00 61.22 C +HETATM 17 CG HYP A 3 12.771 -3.696 3.157 1.00 60.59 C +HETATM 18 CD HYP A 3 13.858 -3.657 2.071 1.00 66.29 C +HETATM 19 OD1 HYP A 3 12.505 -5.008 3.526 1.00 65.80 O +ATOM 20 N GLY A 4 10.020 -3.146 -0.575 1.00 68.01 N +ATOM 21 CA GLY A 4 9.328 -2.256 -1.468 1.00 67.18 C +ATOM 22 C GLY A 4 8.672 -1.121 -0.708 1.00 65.93 C +ATOM 23 O GLY A 4 8.573 -1.148 0.519 1.00 66.47 O +ATOM 24 N PRO A 5 8.218 -0.115 -1.433 1.00 65.83 N +ATOM 25 CA PRO A 5 7.530 0.995 -0.794 1.00 67.28 C +ATOM 26 C PRO A 5 6.152 0.569 -0.314 1.00 66.81 C +ATOM 27 O PRO A 5 5.603 -0.425 -0.772 1.00 65.39 O +ATOM 28 CB PRO A 5 7.428 2.035 -1.910 1.00 64.32 C +ATOM 29 CG PRO A 5 7.373 1.214 -3.151 1.00 61.34 C +ATOM 30 CD PRO A 5 8.261 0.028 -2.889 1.00 60.05 C +HETATM 31 N HYP A 6 5.621 1.359 0.625 1.00 69.38 N +HETATM 32 CA HYP A 6 4.242 1.091 1.011 1.00 70.68 C +HETATM 33 C HYP A 6 3.306 1.119 -0.105 1.00 71.45 C +HETATM 34 O HYP A 6 3.509 1.928 -1.066 1.00 75.11 O +HETATM 35 CB HYP A 6 3.977 2.128 2.073 1.00 69.92 C +HETATM 36 CG HYP A 6 5.328 2.460 2.617 1.00 67.99 C +HETATM 37 CD HYP A 6 6.186 2.411 1.402 1.00 72.60 C +HETATM 38 OD1 HYP A 6 5.764 1.484 3.526 1.00 71.27 O +ATOM 39 N GLY A 7 2.334 0.250 -0.147 1.00 74.94 N +ATOM 40 CA GLY A 7 1.323 0.254 -1.167 1.00 72.27 C +ATOM 41 C GLY A 7 0.454 1.494 -1.098 1.00 71.12 C +ATOM 42 O GLY A 7 0.537 2.284 -0.153 1.00 69.22 O +ATOM 43 N PRO A 8 -0.382 1.650 -2.098 1.00 73.02 N +ATOM 44 CA PRO A 8 -1.279 2.798 -2.120 1.00 72.49 C +ATOM 45 C PRO A 8 -2.378 2.648 -1.079 1.00 72.10 C +ATOM 46 O PRO A 8 -2.621 1.563 -0.558 1.00 68.93 O +ATOM 47 CB PRO A 8 -1.842 2.772 -3.538 1.00 69.10 C +ATOM 48 CG PRO A 8 -1.825 1.324 -3.894 1.00 68.68 C +ATOM 49 CD PRO A 8 -0.587 0.772 -3.244 1.00 68.39 C +HETATM 50 N HYP A 9 -3.046 3.757 -0.802 1.00 71.55 N +HETATM 51 CA HYP A 9 -4.171 3.696 0.078 1.00 71.55 C +HETATM 52 C HYP A 9 -5.213 2.767 -0.401 1.00 73.89 C +HETATM 53 O HYP A 9 -5.298 2.466 -1.588 1.00 75.70 O +HETATM 54 CB HYP A 9 -4.584 5.136 0.114 1.00 71.87 C +HETATM 55 CG HYP A 9 -3.341 5.906 -0.137 1.00 70.45 C +HETATM 56 CD HYP A 9 -2.679 5.107 -1.182 1.00 73.43 C +HETATM 57 OD1 HYP A 9 -2.500 5.954 0.995 1.00 68.85 O +ATOM 58 N GLY A 10 -6.020 2.290 0.520 1.00 73.77 N +ATOM 59 CA GLY A 10 -7.091 1.385 0.181 1.00 69.88 C +ATOM 60 C GLY A 10 -8.145 2.021 -0.700 1.00 69.99 C +ATOM 61 O GLY A 10 -8.064 3.191 -1.089 1.00 66.57 O +ATOM 62 N GLY A 11 -9.142 1.223 -1.021 1.00 70.52 N +ATOM 63 CA GLY A 11 -10.135 1.626 -1.998 1.00 70.00 C +ATOM 64 C GLY A 11 -11.082 2.721 -1.541 1.00 69.58 C +ATOM 65 O GLY A 11 -11.074 3.146 -0.385 1.00 66.86 O +ATOM 66 N PRO A 12 -11.929 3.179 -2.482 1.00 67.38 N +ATOM 67 CA PRO A 12 -12.923 4.195 -2.175 1.00 69.66 C +ATOM 68 C PRO A 12 -14.035 3.631 -1.298 1.00 70.42 C +ATOM 69 O PRO A 12 -14.099 2.423 -1.049 1.00 66.86 O +ATOM 70 CB PRO A 12 -13.452 4.603 -3.557 1.00 66.37 C +ATOM 71 CG PRO A 12 -13.294 3.361 -4.369 1.00 62.50 C +ATOM 72 CD PRO A 12 -12.020 2.725 -3.866 1.00 60.58 C +ATOM 73 N GLY A 13 -14.909 4.515 -0.853 1.00 62.55 N +ATOM 74 CA GLY A 13 -15.868 4.161 0.171 1.00 61.49 C +ATOM 75 C GLY A 13 -15.279 4.614 1.491 1.00 60.86 C +ATOM 76 O GLY A 13 -14.567 5.615 1.533 1.00 59.96 O +ATOM 77 N PRO A 14 -15.571 3.918 2.581 1.00 66.22 N +ATOM 78 CA PRO A 14 -14.817 4.225 3.792 1.00 68.17 C +ATOM 79 C PRO A 14 -13.330 4.098 3.478 1.00 66.93 C +ATOM 80 O PRO A 14 -12.937 3.159 2.793 1.00 65.17 O +ATOM 81 CB PRO A 14 -15.275 3.157 4.789 1.00 65.67 C +ATOM 82 CG PRO A 14 -16.622 2.761 4.291 1.00 63.88 C +ATOM 83 CD PRO A 14 -16.514 2.824 2.793 1.00 63.97 C +HETATM 84 N HYP A 15 -12.468 5.080 3.982 1.00 69.25 N +HETATM 85 CA HYP A 15 -11.139 4.967 3.577 1.00 67.56 C +HETATM 86 C HYP A 15 -10.517 3.629 3.922 1.00 70.06 C +HETATM 87 O HYP A 15 -10.647 3.180 5.072 1.00 71.54 O +HETATM 88 CB HYP A 15 -10.419 6.081 4.283 1.00 66.54 C +HETATM 89 CG HYP A 15 -11.508 7.102 4.421 1.00 67.53 C +HETATM 90 CD HYP A 15 -12.698 6.270 4.727 1.00 70.59 C +HETATM 91 OD1 HYP A 15 -11.685 7.819 3.246 1.00 69.39 O +ATOM 92 N GLY A 16 -9.963 2.980 2.938 1.00 68.82 N +ATOM 93 CA GLY A 16 -9.271 1.745 3.196 1.00 67.26 C +ATOM 94 C GLY A 16 -7.934 1.996 3.864 1.00 67.31 C +ATOM 95 O GLY A 16 -7.435 3.121 3.898 1.00 65.68 O +ATOM 96 N PRO A 17 -7.351 0.949 4.395 1.00 67.91 N +ATOM 97 CA PRO A 17 -6.033 1.074 4.991 1.00 68.48 C +ATOM 98 C PRO A 17 -4.978 1.238 3.910 1.00 68.50 C +ATOM 99 O PRO A 17 -5.209 0.928 2.747 1.00 66.65 O +ATOM 100 CB PRO A 17 -5.855 -0.235 5.748 1.00 65.75 C +ATOM 101 CG PRO A 17 -6.652 -1.209 4.947 1.00 62.37 C +ATOM 102 CD PRO A 17 -7.839 -0.432 4.441 1.00 61.18 C +HETATM 103 N HYP A 18 -3.826 1.742 4.317 1.00 69.35 N +HETATM 104 CA HYP A 18 -2.740 1.745 3.380 1.00 72.38 C +HETATM 105 C HYP A 18 -2.438 0.413 2.821 1.00 72.96 C +HETATM 106 O HYP A 18 -2.633 -0.584 3.536 1.00 75.15 O +HETATM 107 CB HYP A 18 -1.641 2.390 4.096 1.00 70.52 C +HETATM 108 CG HYP A 18 -2.326 3.223 5.142 1.00 68.51 C +HETATM 109 CD HYP A 18 -3.496 2.368 5.532 1.00 71.32 C +HETATM 110 OD1 HYP A 18 -2.783 4.444 4.607 1.00 71.14 O +ATOM 111 N GLY A 19 -2.056 0.336 1.583 1.00 73.54 N +ATOM 112 CA GLY A 19 -1.695 -0.918 0.980 1.00 72.46 C +ATOM 113 C GLY A 19 -0.474 -1.537 1.645 1.00 71.71 C +ATOM 114 O GLY A 19 0.215 -0.906 2.444 1.00 69.65 O +ATOM 115 N PRO A 20 -0.235 -2.791 1.306 1.00 74.31 N +ATOM 116 CA PRO A 20 0.912 -3.483 1.872 1.00 74.08 C +ATOM 117 C PRO A 20 2.209 -2.986 1.264 1.00 74.41 C +ATOM 118 O PRO A 20 2.222 -2.330 0.232 1.00 71.67 O +ATOM 119 CB PRO A 20 0.648 -4.942 1.501 1.00 70.15 C +ATOM 120 CG PRO A 20 -0.096 -4.843 0.217 1.00 67.99 C +ATOM 121 CD PRO A 20 -0.972 -3.626 0.361 1.00 68.17 C +HETATM 122 N HYP A 21 3.289 -3.296 1.915 1.00 78.55 N +HETATM 123 CA HYP A 21 4.592 -3.004 1.344 1.00 81.47 C +HETATM 124 C HYP A 21 4.784 -3.572 -0.041 1.00 81.57 C +HETATM 125 O HYP A 21 4.106 -4.518 -0.393 1.00 81.90 O +HETATM 126 CB HYP A 21 5.509 -3.548 2.354 1.00 77.53 C +HETATM 127 CG HYP A 21 4.739 -3.486 3.648 1.00 76.12 C +HETATM 128 CD HYP A 21 3.383 -3.864 3.216 1.00 78.82 C +HETATM 129 OD1 HYP A 21 4.676 -2.173 4.172 1.00 74.08 O +ATOM 130 N GLY A 22 5.639 -3.033 -0.798 1.00 79.04 N +ATOM 131 CA GLY A 22 5.940 -3.525 -2.113 1.00 76.39 C +ATOM 132 C GLY A 22 6.554 -4.919 -2.100 1.00 75.83 C +ATOM 133 O GLY A 22 6.674 -5.559 -1.056 1.00 73.36 O +ATOM 134 N PRO A 23 6.945 -5.386 -3.266 1.00 80.32 N +ATOM 135 CA PRO A 23 7.436 -6.751 -3.398 1.00 79.78 C +ATOM 136 C PRO A 23 8.768 -6.956 -2.680 1.00 79.74 C +ATOM 137 O PRO A 23 9.480 -6.021 -2.356 1.00 76.03 O +ATOM 138 CB PRO A 23 7.577 -6.928 -4.907 1.00 75.72 C +ATOM 139 CG PRO A 23 7.761 -5.556 -5.426 1.00 74.75 C +ATOM 140 CD PRO A 23 6.947 -4.673 -4.537 1.00 75.26 C +HETATM 141 N HYP A 24 9.249 -8.203 -2.427 1.00 79.76 N +HETATM 142 CA HYP A 24 10.627 -8.566 -1.807 1.00 79.33 C +HETATM 143 C HYP A 24 11.480 -8.142 -2.945 1.00 73.95 C +HETATM 144 O HYP A 24 11.688 -8.756 -3.950 1.00 74.28 O +HETATM 145 CB HYP A 24 10.536 -10.006 -1.716 1.00 77.47 C +HETATM 146 CG HYP A 24 9.100 -10.330 -1.558 1.00 72.38 C +HETATM 147 CD HYP A 24 8.404 -9.358 -2.423 1.00 77.25 C +HETATM 148 OD1 HYP A 24 8.668 -10.115 -0.238 1.00 73.62 O +HETATM 149 OXT HYP A 24 11.905 -6.992 -2.983 1.00 74.10 O +TER 150 HYP A 24 +END diff --git a/protein_pdb_26.txt b/protein_pdb_26.txt new file mode 100644 index 0000000000000000000000000000000000000000..b66a7015cf9f33182a4bf54596bf60af88b6210c --- /dev/null +++ b/protein_pdb_26.txt @@ -0,0 +1,217 @@ +ATOM 1 N GLY A 1 4.397 0.773 1.686 1.00 81.02 N +ATOM 2 CA GLY A 1 3.884 2.128 1.608 1.00 82.84 C +ATOM 3 C GLY A 1 4.917 3.131 2.067 1.00 84.63 C +ATOM 4 O GLY A 1 6.035 2.758 2.418 1.00 81.61 O +ATOM 5 N PRO A 2 4.560 4.402 2.058 1.00 84.22 N +ATOM 6 CA PRO A 2 5.493 5.437 2.480 1.00 86.48 C +ATOM 7 C PRO A 2 5.753 5.355 3.977 1.00 87.03 C +ATOM 8 O PRO A 2 5.014 4.715 4.714 1.00 83.38 O +ATOM 9 CB PRO A 2 4.777 6.732 2.118 1.00 81.76 C +ATOM 10 CG PRO A 2 3.341 6.374 2.194 1.00 79.37 C +ATOM 11 CD PRO A 2 3.259 4.960 1.701 1.00 81.86 C +HETATM 12 N HYP A 3 6.826 5.992 4.443 1.00 83.07 N +HETATM 13 CA HYP A 3 7.097 6.085 5.789 1.00 84.59 C +HETATM 14 C HYP A 3 5.973 6.637 6.658 1.00 86.58 C +HETATM 15 O HYP A 3 5.292 7.585 6.210 1.00 85.66 O +HETATM 16 CB HYP A 3 8.399 6.885 5.896 1.00 84.96 C +HETATM 17 CG HYP A 3 9.055 6.625 4.575 1.00 80.23 C +HETATM 18 CD HYP A 3 7.870 6.560 3.654 1.00 82.15 C +HETATM 19 OD1 HYP A 3 9.727 5.376 4.562 1.00 84.13 O +ATOM 20 N GLY A 4 5.758 6.045 7.806 1.00 86.73 N +ATOM 21 CA GLY A 4 4.725 6.490 8.699 1.00 84.36 C +ATOM 22 C GLY A 4 5.016 7.879 9.249 1.00 84.43 C +ATOM 23 O GLY A 4 6.096 8.431 9.016 1.00 84.19 O +ATOM 24 N PRO A 5 4.061 8.436 9.969 1.00 89.61 N +ATOM 25 CA PRO A 5 4.255 9.758 10.556 1.00 89.05 C +ATOM 26 C PRO A 5 5.306 9.713 11.653 1.00 89.10 C +ATOM 27 O PRO A 5 5.634 8.655 12.176 1.00 86.63 O +ATOM 28 CB PRO A 5 2.878 10.109 11.102 1.00 85.10 C +ATOM 29 CG PRO A 5 2.265 8.785 11.403 1.00 82.76 C +ATOM 30 CD PRO A 5 2.766 7.863 10.322 1.00 86.35 C +HETATM 31 N HYP A 6 5.829 10.885 12.027 1.00 88.96 N +HETATM 32 CA HYP A 6 6.751 10.959 13.083 1.00 89.49 C +HETATM 33 C HYP A 6 6.275 10.363 14.412 1.00 89.15 C +HETATM 34 O HYP A 6 5.086 10.521 14.744 1.00 88.55 O +HETATM 35 CB HYP A 6 7.042 12.454 13.171 1.00 88.75 C +HETATM 36 CG HYP A 6 6.756 12.958 11.790 1.00 85.02 C +HETATM 37 CD HYP A 6 5.605 12.098 11.357 1.00 87.57 C +HETATM 38 OD1 HYP A 6 7.823 12.717 10.901 1.00 84.76 O +ATOM 39 N GLY A 7 7.177 9.652 15.088 1.00 85.80 N +ATOM 40 CA GLY A 7 6.859 9.080 16.366 1.00 84.27 C +ATOM 41 C GLY A 7 6.673 10.149 17.422 1.00 85.34 C +ATOM 42 O GLY A 7 6.870 11.334 17.162 1.00 84.31 O +ATOM 43 N PRO A 8 6.308 9.740 18.626 1.00 87.63 N +ATOM 44 CA PRO A 8 6.138 10.705 19.700 1.00 87.35 C +ATOM 45 C PRO A 8 7.474 11.311 20.100 1.00 88.23 C +ATOM 46 O PRO A 8 8.538 10.757 19.816 1.00 85.60 O +ATOM 47 CB PRO A 8 5.530 9.876 20.832 1.00 82.82 C +ATOM 48 CG PRO A 8 5.958 8.494 20.538 1.00 80.25 C +ATOM 49 CD PRO A 8 6.039 8.377 19.046 1.00 83.45 C +HETATM 50 N HYP A 9 7.413 12.503 20.784 1.00 84.76 N +HETATM 51 CA HYP A 9 8.563 13.088 21.260 1.00 86.39 C +HETATM 52 C HYP A 9 9.418 12.193 22.123 1.00 84.26 C +HETATM 53 O HYP A 9 8.871 11.408 22.905 1.00 85.36 O +HETATM 54 CB HYP A 9 8.070 14.325 22.054 1.00 83.98 C +HETATM 55 CG HYP A 9 6.797 14.641 21.379 1.00 83.08 C +HETATM 56 CD HYP A 9 6.246 13.293 20.972 1.00 85.96 C +HETATM 57 OD1 HYP A 9 7.002 15.374 20.201 1.00 80.61 O +ATOM 58 N GLY A 10 10.727 12.122 21.956 1.00 85.76 N +ATOM 59 CA GLY A 10 11.610 11.251 22.683 1.00 84.09 C +ATOM 60 C GLY A 10 12.505 10.436 21.780 1.00 85.19 C +ATOM 61 O GLY A 10 13.344 9.670 22.266 1.00 80.60 O +ATOM 62 N GLY A 11 12.365 10.565 20.471 1.00 85.61 N +ATOM 63 CA GLY A 11 13.259 9.946 19.524 1.00 84.62 C +ATOM 64 C GLY A 11 12.745 8.719 18.817 1.00 86.01 C +ATOM 65 O GLY A 11 13.404 8.243 17.888 1.00 83.19 O +ATOM 66 N GLN A 12 11.583 8.175 19.194 1.00 92.60 N +ATOM 67 CA GLN A 12 11.057 6.997 18.513 1.00 92.85 C +ATOM 68 C GLN A 12 10.675 7.333 17.085 1.00 93.40 C +ATOM 69 O GLN A 12 9.979 8.300 16.836 1.00 90.55 O +ATOM 70 CB GLN A 12 9.839 6.429 19.219 1.00 89.10 C +ATOM 71 CG GLN A 12 10.110 5.899 20.618 1.00 83.51 C +ATOM 72 CD GLN A 12 9.581 6.815 21.694 1.00 79.93 C +ATOM 73 OE1 GLN A 12 9.530 8.032 21.525 1.00 73.51 O +ATOM 74 NE2 GLN A 12 9.178 6.235 22.815 1.00 71.94 N +HETATM 75 N HYP A 13 11.092 6.571 16.194 1.00 87.31 N +HETATM 76 CA HYP A 13 10.661 6.694 14.792 1.00 88.12 C +HETATM 77 C HYP A 13 9.204 6.322 14.559 1.00 90.12 C +HETATM 78 O HYP A 13 8.696 5.427 15.266 1.00 88.36 O +HETATM 79 CB HYP A 13 11.546 5.666 14.057 1.00 86.54 C +HETATM 80 CG HYP A 13 12.735 5.516 14.955 1.00 84.98 C +HETATM 81 CD HYP A 13 12.206 5.681 16.345 1.00 86.25 C +HETATM 82 OD1 HYP A 13 13.716 6.500 14.677 1.00 85.94 O +ATOM 83 N GLY A 14 8.574 6.977 13.607 1.00 90.03 N +ATOM 84 CA GLY A 14 7.224 6.614 13.261 1.00 88.90 C +ATOM 85 C GLY A 14 7.182 5.214 12.683 1.00 89.86 C +ATOM 86 O GLY A 14 8.175 4.705 12.161 1.00 88.00 O +ATOM 87 N LEU A 15 6.008 4.581 12.780 1.00 93.28 N +ATOM 88 CA LEU A 15 5.852 3.245 12.225 1.00 93.29 C +ATOM 89 C LEU A 15 5.814 3.310 10.709 1.00 94.03 C +ATOM 90 O LEU A 15 5.435 4.318 10.129 1.00 93.14 O +ATOM 91 CB LEU A 15 4.578 2.601 12.749 1.00 89.68 C +ATOM 92 CG LEU A 15 4.555 2.334 14.253 1.00 83.05 C +ATOM 93 CD1 LEU A 15 3.196 1.801 14.661 1.00 80.74 C +ATOM 94 CD2 LEU A 15 5.650 1.367 14.646 1.00 77.74 C +HETATM 95 N HYP A 16 6.145 2.274 10.035 1.00 88.86 N +HETATM 96 CA HYP A 16 6.078 2.170 8.627 1.00 90.74 C +HETATM 97 C HYP A 16 4.694 2.382 8.086 1.00 88.95 C +HETATM 98 O HYP A 16 3.701 2.024 8.753 1.00 88.58 O +HETATM 99 CB HYP A 16 6.598 0.732 8.348 1.00 88.65 C +HETATM 100 CG HYP A 16 7.466 0.434 9.542 1.00 87.09 C +HETATM 101 CD HYP A 16 6.773 1.116 10.665 1.00 88.64 C +HETATM 102 OD1 HYP A 16 8.762 0.979 9.406 1.00 86.90 O +ATOM 103 N GLY A 17 4.595 2.954 6.928 1.00 91.53 N +ATOM 104 CA GLY A 17 3.310 3.128 6.300 1.00 90.42 C +ATOM 105 C GLY A 17 2.698 1.790 5.937 1.00 91.28 C +ATOM 106 O GLY A 17 3.376 0.764 5.866 1.00 90.06 O +ATOM 107 N LEU A 18 1.384 1.810 5.688 1.00 93.69 N +ATOM 108 CA LEU A 18 0.676 0.597 5.299 1.00 93.15 C +ATOM 109 C LEU A 18 1.099 0.168 3.902 1.00 93.94 C +ATOM 110 O LEU A 18 1.528 0.986 3.096 1.00 93.19 O +ATOM 111 CB LEU A 18 -0.822 0.820 5.337 1.00 90.09 C +ATOM 112 CG LEU A 18 -1.406 1.096 6.717 1.00 85.37 C +ATOM 113 CD1 LEU A 18 -2.882 1.408 6.588 1.00 83.25 C +ATOM 114 CD2 LEU A 18 -1.185 -0.087 7.643 1.00 81.05 C +HETATM 115 N HYP A 19 0.951 -1.089 3.542 1.00 89.37 N +HETATM 116 CA HYP A 19 1.197 -1.569 2.239 1.00 91.33 C +HETATM 117 C HYP A 19 0.354 -0.910 1.182 1.00 89.56 C +HETATM 118 O HYP A 19 -0.769 -0.440 1.475 1.00 89.25 O +HETATM 119 CB HYP A 19 0.915 -3.075 2.345 1.00 89.56 C +HETATM 120 CG HYP A 19 1.155 -3.366 3.802 1.00 88.62 C +HETATM 121 CD HYP A 19 0.692 -2.127 4.498 1.00 89.25 C +HETATM 122 OD1 HYP A 19 2.540 -3.568 4.078 1.00 87.60 O +ATOM 123 N GLY A 20 0.868 -0.813 -0.013 1.00 91.80 N +ATOM 124 CA GLY A 20 0.120 -0.244 -1.102 1.00 91.29 C +ATOM 125 C GLY A 20 -1.069 -1.111 -1.465 1.00 92.54 C +ATOM 126 O GLY A 20 -1.240 -2.210 -0.945 1.00 91.90 O +ATOM 127 N PRO A 21 -1.904 -0.629 -2.384 1.00 95.43 N +ATOM 128 CA PRO A 21 -3.080 -1.397 -2.789 1.00 95.37 C +ATOM 129 C PRO A 21 -2.680 -2.636 -3.569 1.00 95.71 C +ATOM 130 O PRO A 21 -1.603 -2.710 -4.150 1.00 94.74 O +ATOM 131 CB PRO A 21 -3.857 -0.418 -3.656 1.00 92.99 C +ATOM 132 CG PRO A 21 -2.810 0.489 -4.197 1.00 91.52 C +ATOM 133 CD PRO A 21 -1.798 0.634 -3.100 1.00 94.13 C +HETATM 134 N HYP A 22 -3.562 -3.641 -3.653 1.00 90.31 N +HETATM 135 CA HYP A 22 -3.364 -4.818 -4.400 1.00 94.04 C +HETATM 136 C HYP A 22 -3.115 -4.533 -5.874 1.00 92.79 C +HETATM 137 O HYP A 22 -3.720 -3.548 -6.417 1.00 90.95 O +HETATM 138 CB HYP A 22 -4.707 -5.553 -4.217 1.00 90.79 C +HETATM 139 CG HYP A 22 -5.212 -5.037 -2.890 1.00 89.78 C +HETATM 140 CD HYP A 22 -4.762 -3.599 -2.850 1.00 90.63 C +HETATM 141 OD1 HYP A 22 -4.644 -5.764 -1.830 1.00 89.57 O +ATOM 142 N PRO A 23 -2.359 -5.388 -6.564 1.00 95.32 N +ATOM 143 CA PRO A 23 -2.201 -5.246 -7.999 1.00 95.15 C +ATOM 144 C PRO A 23 -3.548 -5.401 -8.694 1.00 95.28 C +ATOM 145 O PRO A 23 -4.444 -6.059 -8.183 1.00 93.83 O +ATOM 146 CB PRO A 23 -1.269 -6.394 -8.394 1.00 92.58 C +ATOM 147 CG PRO A 23 -0.622 -6.820 -7.136 1.00 90.75 C +ATOM 148 CD PRO A 23 -1.618 -6.551 -6.057 1.00 94.14 C +HETATM 149 N HYP A 24 -3.697 -4.813 -9.880 1.00 90.67 N +HETATM 150 CA HYP A 24 -4.854 -4.999 -10.653 1.00 91.75 C +HETATM 151 C HYP A 24 -5.127 -6.452 -11.006 1.00 90.05 C +HETATM 152 O HYP A 24 -4.159 -7.233 -11.284 1.00 91.04 O +HETATM 153 CB HYP A 24 -4.522 -4.179 -11.925 1.00 90.09 C +HETATM 154 CG HYP A 24 -3.566 -3.155 -11.447 1.00 86.08 C +HETATM 155 CD HYP A 24 -2.753 -3.896 -10.411 1.00 89.66 C +HETATM 156 OD1 HYP A 24 -4.235 -2.082 -10.833 1.00 88.58 O +ATOM 157 N GLY A 25 -6.358 -6.874 -11.005 1.00 93.00 N +ATOM 158 CA GLY A 25 -6.706 -8.220 -11.387 1.00 91.75 C +ATOM 159 C GLY A 25 -6.524 -8.441 -12.873 1.00 92.24 C +ATOM 160 O GLY A 25 -6.213 -7.512 -13.624 1.00 92.18 O +ATOM 161 N PRO A 26 -6.720 -9.685 -13.325 1.00 93.83 N +ATOM 162 CA PRO A 26 -6.563 -9.984 -14.738 1.00 93.65 C +ATOM 163 C PRO A 26 -7.676 -9.359 -15.557 1.00 93.61 C +ATOM 164 O PRO A 26 -8.748 -9.062 -15.047 1.00 93.27 O +ATOM 165 CB PRO A 26 -6.621 -11.512 -14.791 1.00 91.80 C +ATOM 166 CG PRO A 26 -7.450 -11.866 -13.613 1.00 89.65 C +ATOM 167 CD PRO A 26 -7.099 -10.865 -12.549 1.00 92.54 C +HETATM 168 N HYP A 27 -7.462 -9.187 -16.873 1.00 88.86 N +HETATM 169 CA HYP A 27 -8.454 -8.687 -17.738 1.00 92.37 C +HETATM 170 C HYP A 27 -9.684 -9.595 -17.802 1.00 88.27 C +HETATM 171 O HYP A 27 -9.540 -10.837 -17.663 1.00 90.30 O +HETATM 172 CB HYP A 27 -7.728 -8.682 -19.108 1.00 86.65 C +HETATM 173 CG HYP A 27 -6.288 -8.580 -18.765 1.00 84.81 C +HETATM 174 CD HYP A 27 -6.182 -9.379 -17.490 1.00 88.16 C +HETATM 175 OD1 HYP A 27 -5.931 -7.242 -18.527 1.00 87.70 O +ATOM 176 N GLY A 28 -10.849 -9.022 -17.959 1.00 89.53 N +ATOM 177 CA GLY A 28 -12.044 -9.807 -18.098 1.00 88.88 C +ATOM 178 C GLY A 28 -12.040 -10.604 -19.386 1.00 89.03 C +ATOM 179 O GLY A 28 -11.169 -10.426 -20.239 1.00 90.34 O +ATOM 180 N PRO A 29 -13.012 -11.500 -19.549 1.00 92.43 N +ATOM 181 CA PRO A 29 -13.079 -12.305 -20.764 1.00 92.75 C +ATOM 182 C PRO A 29 -13.415 -11.444 -21.967 1.00 92.53 C +ATOM 183 O PRO A 29 -14.016 -10.385 -21.843 1.00 92.41 O +ATOM 184 CB PRO A 29 -14.180 -13.316 -20.470 1.00 90.48 C +ATOM 185 CG PRO A 29 -15.034 -12.631 -19.461 1.00 87.11 C +ATOM 186 CD PRO A 29 -14.092 -11.811 -18.624 1.00 90.20 C +HETATM 187 N HYP A 30 -13.102 -11.943 -23.213 1.00 89.48 N +HETATM 188 CA HYP A 30 -13.363 -11.210 -24.376 1.00 92.97 C +HETATM 189 C HYP A 30 -14.872 -11.047 -24.582 1.00 89.48 C +HETATM 190 O HYP A 30 -15.648 -11.965 -24.261 1.00 89.94 O +HETATM 191 CB HYP A 30 -12.807 -12.118 -25.520 1.00 88.80 C +HETATM 192 CG HYP A 30 -11.748 -12.913 -24.858 1.00 86.99 C +HETATM 193 CD HYP A 30 -12.290 -13.119 -23.457 1.00 88.44 C +HETATM 194 OD1 HYP A 30 -10.572 -12.183 -24.815 1.00 88.39 O +ATOM 195 N GLY A 31 -15.248 -9.817 -25.048 1.00 90.25 N +ATOM 196 CA GLY A 31 -16.629 -9.566 -25.352 1.00 88.76 C +ATOM 197 C GLY A 31 -17.090 -10.425 -26.510 1.00 87.77 C +ATOM 198 O GLY A 31 -16.287 -10.886 -27.323 1.00 84.55 O +ATOM 199 N GLY A 32 -18.400 -10.634 -26.593 1.00 86.62 N +ATOM 200 CA GLY A 32 -18.945 -11.446 -27.665 1.00 82.98 C +ATOM 201 C GLY A 32 -20.445 -11.243 -27.736 1.00 79.06 C +ATOM 202 O GLY A 32 -21.075 -10.862 -26.752 1.00 73.21 O +ATOM 203 N TYR A 33 -20.999 -11.498 -28.892 1.00 90.48 N +ATOM 204 CA TYR A 33 -22.431 -11.355 -29.084 1.00 88.20 C +ATOM 205 C TYR A 33 -23.172 -12.574 -28.525 1.00 84.60 C +ATOM 206 O TYR A 33 -22.725 -13.699 -28.735 1.00 79.77 O +ATOM 207 CB TYR A 33 -22.749 -11.200 -30.575 1.00 82.76 C +ATOM 208 CG TYR A 33 -24.212 -11.001 -30.866 1.00 79.04 C +ATOM 209 CD1 TYR A 33 -24.845 -9.812 -30.539 1.00 77.47 C +ATOM 210 CD2 TYR A 33 -24.970 -12.006 -31.461 1.00 76.07 C +ATOM 211 CE1 TYR A 33 -26.183 -9.616 -30.789 1.00 74.18 C +ATOM 212 CE2 TYR A 33 -26.316 -11.819 -31.716 1.00 80.19 C +ATOM 213 CZ TYR A 33 -26.916 -10.628 -31.381 1.00 76.98 C +ATOM 214 OH TYR A 33 -28.254 -10.444 -31.621 1.00 72.76 O +ATOM 215 OXT TYR A 33 -24.237 -12.405 -27.907 1.00 67.61 O +TER 216 TYR A 33 +END diff --git a/protein_pdb_260.txt b/protein_pdb_260.txt new file mode 100644 index 0000000000000000000000000000000000000000..86a0eab388c8c109618ec4c28f22a98f4cdeaf2d --- /dev/null +++ b/protein_pdb_260.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 21.330 -25.512 -13.244 1.00 88.74 N +ATOM 2 CA GLY A 1 21.793 -24.184 -12.846 1.00 90.73 C +ATOM 3 C GLY A 1 21.011 -23.665 -11.662 1.00 91.13 C +ATOM 4 O GLY A 1 20.028 -24.281 -11.251 1.00 88.62 O +ATOM 5 N PRO A 2 21.397 -22.531 -11.091 1.00 90.54 N +ATOM 6 CA PRO A 2 20.694 -21.967 -9.940 1.00 92.78 C +ATOM 7 C PRO A 2 19.325 -21.426 -10.317 1.00 92.83 C +ATOM 8 O PRO A 2 19.080 -21.073 -11.466 1.00 91.50 O +ATOM 9 CB PRO A 2 21.628 -20.859 -9.458 1.00 90.95 C +ATOM 10 CG PRO A 2 22.321 -20.432 -10.708 1.00 87.14 C +ATOM 11 CD PRO A 2 22.549 -21.721 -11.471 1.00 88.78 C +HETATM 12 N HYP A 3 18.502 -21.390 -9.436 1.00 90.67 N +HETATM 13 CA HYP A 3 17.104 -20.770 -9.587 1.00 90.26 C +HETATM 14 C HYP A 3 17.158 -19.311 -9.971 1.00 90.18 C +HETATM 15 O HYP A 3 18.112 -18.584 -9.618 1.00 91.39 O +HETATM 16 CB HYP A 3 16.557 -20.945 -8.174 1.00 88.41 C +HETATM 17 CG HYP A 3 17.311 -22.145 -7.559 1.00 86.25 C +HETATM 18 CD HYP A 3 18.759 -21.926 -8.095 1.00 87.73 C +HETATM 19 OD1 HYP A 3 16.818 -23.358 -8.028 1.00 89.17 O +ATOM 20 N GLY A 4 16.143 -18.842 -10.674 1.00 91.70 N +ATOM 21 CA GLY A 4 16.059 -17.457 -11.041 1.00 91.25 C +ATOM 22 C GLY A 4 15.660 -16.614 -9.834 1.00 91.51 C +ATOM 23 O GLY A 4 15.294 -17.153 -8.787 1.00 91.73 O +ATOM 24 N PRO A 5 15.714 -15.289 -9.966 1.00 92.64 N +ATOM 25 CA PRO A 5 15.365 -14.409 -8.849 1.00 92.86 C +ATOM 26 C PRO A 5 13.871 -14.412 -8.578 1.00 92.84 C +ATOM 27 O PRO A 5 13.063 -14.711 -9.450 1.00 92.33 O +ATOM 28 CB PRO A 5 15.855 -13.041 -9.316 1.00 91.43 C +ATOM 29 CG PRO A 5 15.713 -13.121 -10.802 1.00 88.92 C +ATOM 30 CD PRO A 5 16.141 -14.535 -11.137 1.00 90.66 C +HETATM 31 N HYP A 6 13.523 -14.105 -7.371 1.00 92.08 N +HETATM 32 CA HYP A 6 12.073 -13.904 -7.010 1.00 93.78 C +HETATM 33 C HYP A 6 11.428 -12.791 -7.784 1.00 89.67 C +HETATM 34 O HYP A 6 12.111 -11.824 -8.213 1.00 90.30 O +HETATM 35 CB HYP A 6 12.175 -13.538 -5.504 1.00 86.55 C +HETATM 36 CG HYP A 6 13.464 -14.133 -4.993 1.00 84.91 C +HETATM 37 CD HYP A 6 14.375 -13.975 -6.195 1.00 87.99 C +HETATM 38 OD1 HYP A 6 13.306 -15.505 -4.677 1.00 87.60 O +ATOM 39 N GLY A 7 10.119 -12.847 -7.992 1.00 93.12 N +ATOM 40 CA GLY A 7 9.384 -11.811 -8.669 1.00 91.95 C +ATOM 41 C GLY A 7 9.271 -10.568 -7.790 1.00 92.20 C +ATOM 42 O GLY A 7 9.623 -10.598 -6.607 1.00 91.91 O +ATOM 43 N PRO A 8 8.770 -9.476 -8.350 1.00 92.74 N +ATOM 44 CA PRO A 8 8.640 -8.236 -7.583 1.00 92.65 C +ATOM 45 C PRO A 8 7.544 -8.334 -6.528 1.00 92.72 C +ATOM 46 O PRO A 8 6.617 -9.133 -6.656 1.00 91.25 O +ATOM 47 CB PRO A 8 8.317 -7.194 -8.643 1.00 90.77 C +ATOM 48 CG PRO A 8 7.603 -7.983 -9.689 1.00 89.94 C +ATOM 49 CD PRO A 8 8.349 -9.303 -9.725 1.00 91.74 C +HETATM 50 N HYP A 9 7.614 -7.525 -5.495 1.00 88.77 N +HETATM 51 CA HYP A 9 6.580 -7.440 -4.478 1.00 90.47 C +HETATM 52 C HYP A 9 5.305 -6.945 -5.038 1.00 88.48 C +HETATM 53 O HYP A 9 5.279 -6.145 -5.994 1.00 87.18 O +HETATM 54 CB HYP A 9 7.191 -6.416 -3.462 1.00 85.78 C +HETATM 55 CG HYP A 9 8.670 -6.526 -3.643 1.00 84.85 C +HETATM 56 CD HYP A 9 8.796 -6.766 -5.105 1.00 88.25 C +HETATM 57 OD1 HYP A 9 9.186 -7.619 -2.911 1.00 83.92 O +ATOM 58 N GLY A 10 4.169 -7.332 -4.429 1.00 89.81 N +ATOM 59 CA GLY A 10 2.858 -6.885 -4.828 1.00 87.35 C +ATOM 60 C GLY A 10 2.686 -5.396 -4.572 1.00 87.39 C +ATOM 61 O GLY A 10 3.477 -4.773 -3.857 1.00 85.56 O +ATOM 62 N CYS A 11 1.631 -4.826 -5.154 1.00 88.49 N +ATOM 63 CA CYS A 11 1.356 -3.405 -4.995 1.00 89.51 C +ATOM 64 C CYS A 11 0.646 -3.117 -3.676 1.00 89.81 C +ATOM 65 O CYS A 11 -0.232 -3.866 -3.258 1.00 86.90 O +ATOM 66 CB CYS A 11 0.488 -2.899 -6.147 1.00 85.84 C +ATOM 67 SG CYS A 11 1.289 -3.055 -7.749 1.00 79.20 S +ATOM 68 N MET A 12 1.021 -2.016 -3.031 1.00 87.40 N +ATOM 69 CA MET A 12 0.354 -1.588 -1.810 1.00 88.27 C +ATOM 70 C MET A 12 -1.027 -1.074 -2.194 1.00 89.02 C +ATOM 71 O MET A 12 -1.192 -0.441 -3.240 1.00 84.42 O +ATOM 72 CB MET A 12 1.164 -0.475 -1.124 1.00 84.30 C +ATOM 73 CG MET A 12 0.579 -0.028 0.203 1.00 78.24 C +ATOM 74 SD MET A 12 1.577 1.230 1.002 1.00 75.12 S +ATOM 75 CE MET A 12 2.982 0.262 1.500 1.00 68.71 C +ATOM 76 N GLY A 13 -1.999 -1.381 -1.345 1.00 88.87 N +ATOM 77 CA GLY A 13 -3.350 -0.930 -1.620 1.00 87.07 C +ATOM 78 C GLY A 13 -3.487 0.577 -1.497 1.00 87.91 C +ATOM 79 O GLY A 13 -2.574 1.252 -1.023 1.00 88.40 O +ATOM 80 N PRO A 14 -4.630 1.137 -1.921 1.00 87.31 N +ATOM 81 CA PRO A 14 -4.838 2.584 -1.845 1.00 88.38 C +ATOM 82 C PRO A 14 -4.991 3.056 -0.408 1.00 88.51 C +ATOM 83 O PRO A 14 -5.331 2.276 0.476 1.00 88.13 O +ATOM 84 CB PRO A 14 -6.118 2.792 -2.652 1.00 87.07 C +ATOM 85 CG PRO A 14 -6.852 1.508 -2.478 1.00 85.33 C +ATOM 86 CD PRO A 14 -5.766 0.456 -2.522 1.00 85.51 C +HETATM 87 N HYP A 15 -4.777 4.358 -0.161 1.00 85.06 N +HETATM 88 CA HYP A 15 -4.967 4.964 1.136 1.00 82.88 C +HETATM 89 C HYP A 15 -6.416 4.881 1.636 1.00 83.28 C +HETATM 90 O HYP A 15 -7.337 4.779 0.792 1.00 82.58 O +HETATM 91 CB HYP A 15 -4.563 6.423 0.863 1.00 83.16 C +HETATM 92 CG HYP A 15 -3.577 6.318 -0.267 1.00 80.61 C +HETATM 93 CD HYP A 15 -4.172 5.218 -1.100 1.00 84.78 C +HETATM 94 OD1 HYP A 15 -2.317 5.924 0.202 1.00 82.64 O +ATOM 95 N GLY A 16 -6.603 4.836 2.889 1.00 90.11 N +ATOM 96 CA GLY A 16 -7.939 4.795 3.438 1.00 88.45 C +ATOM 97 C GLY A 16 -8.646 6.122 3.214 1.00 89.03 C +ATOM 98 O GLY A 16 -8.022 7.104 2.805 1.00 89.98 O +ATOM 99 N PRO A 17 -9.955 6.174 3.490 1.00 86.30 N +ATOM 100 CA PRO A 17 -10.715 7.402 3.294 1.00 86.88 C +ATOM 101 C PRO A 17 -10.371 8.458 4.333 1.00 87.42 C +ATOM 102 O PRO A 17 -9.886 8.142 5.415 1.00 88.19 O +ATOM 103 CB PRO A 17 -12.166 6.941 3.413 1.00 85.53 C +ATOM 104 CG PRO A 17 -12.073 5.789 4.357 1.00 82.11 C +ATOM 105 CD PRO A 17 -10.800 5.082 3.949 1.00 81.72 C +HETATM 106 N HYP A 18 -10.622 9.734 4.045 1.00 86.09 N +HETATM 107 CA HYP A 18 -10.461 10.817 4.971 1.00 89.58 C +HETATM 108 C HYP A 18 -11.391 10.690 6.185 1.00 85.65 C +HETATM 109 O HYP A 18 -12.446 10.030 6.122 1.00 87.04 O +HETATM 110 CB HYP A 18 -10.904 12.027 4.141 1.00 84.47 C +HETATM 111 CG HYP A 18 -10.632 11.661 2.717 1.00 80.92 C +HETATM 112 CD HYP A 18 -10.952 10.192 2.724 1.00 85.66 C +HETATM 113 OD1 HYP A 18 -9.279 11.853 2.393 1.00 85.04 O +ATOM 114 N GLY A 19 -11.005 11.253 7.291 1.00 89.20 N +ATOM 115 CA GLY A 19 -11.817 11.240 8.473 1.00 88.59 C +ATOM 116 C GLY A 19 -13.054 12.096 8.275 1.00 89.01 C +ATOM 117 O GLY A 19 -13.176 12.814 7.282 1.00 88.45 O +ATOM 118 N PRO A 20 -13.989 12.040 9.225 1.00 84.41 N +ATOM 119 CA PRO A 20 -15.219 12.816 9.110 1.00 84.65 C +ATOM 120 C PRO A 20 -14.970 14.312 9.278 1.00 84.61 C +ATOM 121 O PRO A 20 -13.987 14.717 9.894 1.00 83.34 O +ATOM 122 CB PRO A 20 -16.095 12.253 10.234 1.00 81.48 C +ATOM 123 CG PRO A 20 -15.100 11.810 11.246 1.00 78.55 C +ATOM 124 CD PRO A 20 -13.972 11.223 10.433 1.00 80.06 C +HETATM 125 N HYP A 21 -15.844 15.164 8.776 1.00 89.76 N +HETATM 126 CA HYP A 21 -15.769 16.594 8.918 1.00 88.48 C +HETATM 127 C HYP A 21 -15.958 17.053 10.364 1.00 85.36 C +HETATM 128 O HYP A 21 -16.587 16.344 11.161 1.00 88.68 O +HETATM 129 CB HYP A 21 -17.035 17.074 8.122 1.00 84.94 C +HETATM 130 CG HYP A 21 -17.281 16.007 7.095 1.00 81.04 C +HETATM 131 CD HYP A 21 -16.893 14.745 7.844 1.00 86.17 C +HETATM 132 OD1 HYP A 21 -16.412 16.178 5.987 1.00 86.54 O +ATOM 133 N GLY A 22 -15.356 18.140 10.733 1.00 86.11 N +ATOM 134 CA GLY A 22 -15.494 18.684 12.054 1.00 85.56 C +ATOM 135 C GLY A 22 -16.909 19.187 12.271 1.00 85.74 C +ATOM 136 O GLY A 22 -17.721 19.200 11.346 1.00 83.88 O +ATOM 137 N PRO A 23 -17.230 19.657 13.480 1.00 86.81 N +ATOM 138 CA PRO A 23 -18.581 20.141 13.771 1.00 87.66 C +ATOM 139 C PRO A 23 -18.866 21.444 13.051 1.00 87.03 C +ATOM 140 O PRO A 23 -17.958 22.203 12.727 1.00 83.79 O +ATOM 141 CB PRO A 23 -18.573 20.311 15.284 1.00 83.71 C +ATOM 142 CG PRO A 23 -17.145 20.615 15.594 1.00 80.50 C +ATOM 143 CD PRO A 23 -16.372 19.720 14.653 1.00 81.98 C +HETATM 144 N HYP A 24 -20.171 21.806 12.841 1.00 87.37 N +HETATM 145 CA HYP A 24 -20.466 23.084 12.131 1.00 85.52 C +HETATM 146 C HYP A 24 -20.131 24.240 13.067 1.00 82.99 C +HETATM 147 O HYP A 24 -20.714 25.294 13.079 1.00 84.56 O +HETATM 148 CB HYP A 24 -22.034 23.011 12.035 1.00 85.44 C +HETATM 149 CG HYP A 24 -22.433 21.600 12.135 1.00 83.09 C +HETATM 150 CD HYP A 24 -21.355 21.000 13.042 1.00 86.74 C +HETATM 151 OD1 HYP A 24 -22.358 20.997 10.864 1.00 82.16 O +HETATM 152 OXT HYP A 24 -19.198 24.073 13.812 1.00 83.00 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_261.txt b/protein_pdb_261.txt new file mode 100644 index 0000000000000000000000000000000000000000..71dc18184ed690866ed0c1e2e725aff2f542450a --- /dev/null +++ b/protein_pdb_261.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -9.182 14.005 3.120 1.00 92.44 N +ATOM 2 CA GLY A 1 -9.556 12.848 2.389 1.00 93.21 C +ATOM 3 C GLY A 1 -9.365 11.554 3.152 1.00 93.70 C +ATOM 4 O GLY A 1 -8.668 11.526 4.167 1.00 91.82 O +ATOM 5 N PRO A 2 -9.930 10.503 2.667 1.00 92.34 N +ATOM 6 CA PRO A 2 -9.825 9.211 3.318 1.00 92.65 C +ATOM 7 C PRO A 2 -8.466 8.573 3.094 1.00 92.33 C +ATOM 8 O PRO A 2 -7.707 8.986 2.220 1.00 90.47 O +ATOM 9 CB PRO A 2 -10.932 8.409 2.647 1.00 89.46 C +ATOM 10 CG PRO A 2 -11.001 8.994 1.283 1.00 86.76 C +ATOM 11 CD PRO A 2 -10.769 10.463 1.484 1.00 89.68 C +HETATM 12 N HYP A 3 -8.195 7.564 3.902 1.00 93.95 N +HETATM 13 CA HYP A 3 -6.946 6.828 3.730 1.00 89.88 C +HETATM 14 C HYP A 3 -6.891 6.131 2.380 1.00 93.58 C +HETATM 15 O HYP A 3 -7.964 5.762 1.831 1.00 94.08 O +HETATM 16 CB HYP A 3 -7.062 5.734 4.869 1.00 91.27 C +HETATM 17 CG HYP A 3 -7.959 6.378 5.908 1.00 88.75 C +HETATM 18 CD HYP A 3 -8.960 7.196 5.049 1.00 91.81 C +HETATM 19 OD1 HYP A 3 -7.192 7.251 6.681 1.00 90.26 O +ATOM 20 N GLY A 4 -5.723 6.016 1.830 1.00 92.41 N +ATOM 21 CA GLY A 4 -5.545 5.352 0.572 1.00 91.47 C +ATOM 22 C GLY A 4 -5.762 3.856 0.703 1.00 91.90 C +ATOM 23 O GLY A 4 -5.907 3.328 1.802 1.00 91.76 O +ATOM 24 N PRO A 5 -5.790 3.151 -0.429 1.00 92.84 N +ATOM 25 CA PRO A 5 -5.992 1.709 -0.410 1.00 92.89 C +ATOM 26 C PRO A 5 -4.765 0.983 0.116 1.00 92.50 C +ATOM 27 O PRO A 5 -3.671 1.535 0.153 1.00 91.51 O +ATOM 28 CB PRO A 5 -6.259 1.370 -1.871 1.00 90.86 C +ATOM 29 CG PRO A 5 -5.478 2.410 -2.612 1.00 89.35 C +ATOM 30 CD PRO A 5 -5.620 3.658 -1.790 1.00 92.22 C +HETATM 31 N HYP A 6 -4.999 -0.278 0.528 1.00 93.56 N +HETATM 32 CA HYP A 6 -3.872 -1.112 0.929 1.00 93.75 C +HETATM 33 C HYP A 6 -2.869 -1.286 -0.190 1.00 93.65 C +HETATM 34 O HYP A 6 -3.236 -1.230 -1.385 1.00 93.67 O +HETATM 35 CB HYP A 6 -4.582 -2.458 1.248 1.00 90.58 C +HETATM 36 CG HYP A 6 -5.997 -2.070 1.648 1.00 90.10 C +HETATM 37 CD HYP A 6 -6.300 -0.910 0.694 1.00 92.38 C +HETATM 38 OD1 HYP A 6 -6.004 -1.611 2.973 1.00 89.20 O +ATOM 39 N GLY A 7 -1.629 -1.417 0.152 1.00 93.33 N +ATOM 40 CA GLY A 7 -0.588 -1.608 -0.817 1.00 92.95 C +ATOM 41 C GLY A 7 -0.726 -2.940 -1.530 1.00 92.94 C +ATOM 42 O GLY A 7 -1.517 -3.794 -1.141 1.00 92.18 O +ATOM 43 N PRO A 8 0.060 -3.130 -2.576 1.00 93.20 N +ATOM 44 CA PRO A 8 -0.002 -4.369 -3.337 1.00 93.35 C +ATOM 45 C PRO A 8 0.448 -5.574 -2.527 1.00 93.32 C +ATOM 46 O PRO A 8 1.305 -5.460 -1.654 1.00 90.95 O +ATOM 47 CB PRO A 8 0.955 -4.129 -4.506 1.00 90.93 C +ATOM 48 CG PRO A 8 1.118 -2.662 -4.574 1.00 89.73 C +ATOM 49 CD PRO A 8 1.001 -2.183 -3.163 1.00 92.05 C +HETATM 50 N HYP A 9 -0.133 -6.739 -2.883 1.00 92.29 N +HETATM 51 CA HYP A 9 0.275 -7.971 -2.271 1.00 90.05 C +HETATM 52 C HYP A 9 1.702 -8.322 -2.688 1.00 92.88 C +HETATM 53 O HYP A 9 2.162 -7.905 -3.743 1.00 91.45 O +HETATM 54 CB HYP A 9 -0.640 -9.053 -2.931 1.00 88.51 C +HETATM 55 CG HYP A 9 -1.797 -8.305 -3.478 1.00 88.79 C +HETATM 56 CD HYP A 9 -1.259 -6.961 -3.833 1.00 91.28 C +HETATM 57 OD1 HYP A 9 -2.773 -8.139 -2.466 1.00 89.10 O +ATOM 58 N GLY A 10 2.439 -9.039 -2.009 1.00 90.90 N +ATOM 59 CA GLY A 10 3.753 -9.478 -2.412 1.00 89.32 C +ATOM 60 C GLY A 10 4.087 -10.824 -1.819 1.00 89.57 C +ATOM 61 O GLY A 10 3.435 -11.299 -0.893 1.00 87.55 O +ATOM 62 N LEU A 11 5.128 -11.445 -2.355 1.00 89.37 N +ATOM 63 CA LEU A 11 5.567 -12.740 -1.852 1.00 91.62 C +ATOM 64 C LEU A 11 6.155 -12.621 -0.454 1.00 91.28 C +ATOM 65 O LEU A 11 6.185 -13.603 0.290 1.00 87.79 O +ATOM 66 CB LEU A 11 6.616 -13.340 -2.790 1.00 90.01 C +ATOM 67 CG LEU A 11 6.133 -13.639 -4.211 1.00 85.66 C +ATOM 68 CD1 LEU A 11 7.302 -14.120 -5.050 1.00 84.24 C +ATOM 69 CD2 LEU A 11 5.034 -14.683 -4.198 1.00 80.17 C +ATOM 70 N GLU A 12 6.632 -11.434 -0.118 1.00 89.58 N +ATOM 71 CA GLU A 12 7.290 -11.199 1.156 1.00 90.48 C +ATOM 72 C GLU A 12 6.338 -10.787 2.270 1.00 90.22 C +ATOM 73 O GLU A 12 6.764 -10.625 3.415 1.00 85.06 O +ATOM 74 CB GLU A 12 8.361 -10.123 0.993 1.00 85.81 C +ATOM 75 CG GLU A 12 9.360 -10.383 -0.127 1.00 79.47 C +ATOM 76 CD GLU A 12 10.623 -11.080 0.321 1.00 74.15 C +ATOM 77 OE1 GLU A 12 10.967 -11.004 1.511 1.00 68.60 O +ATOM 78 OE2 GLU A 12 11.280 -11.692 -0.537 1.00 70.53 O +ATOM 79 N GLY A 13 5.076 -10.597 1.971 1.00 93.47 N +ATOM 80 CA GLY A 13 4.147 -10.192 3.002 1.00 92.78 C +ATOM 81 C GLY A 13 2.778 -9.829 2.471 1.00 93.53 C +ATOM 82 O GLY A 13 2.542 -9.857 1.264 1.00 92.91 O +ATOM 83 N PRO A 14 1.877 -9.505 3.376 1.00 93.80 N +ATOM 84 CA PRO A 14 0.515 -9.150 2.999 1.00 93.86 C +ATOM 85 C PRO A 14 0.455 -7.769 2.364 1.00 94.01 C +ATOM 86 O PRO A 14 1.467 -7.080 2.252 1.00 92.16 O +ATOM 87 CB PRO A 14 -0.225 -9.184 4.330 1.00 92.07 C +ATOM 88 CG PRO A 14 0.802 -8.767 5.316 1.00 90.82 C +ATOM 89 CD PRO A 14 2.074 -9.402 4.828 1.00 92.46 C +HETATM 90 N HYP A 15 -0.773 -7.407 1.968 1.00 92.87 N +HETATM 91 CA HYP A 15 -0.956 -6.079 1.418 1.00 93.97 C +HETATM 92 C HYP A 15 -0.431 -5.035 2.358 1.00 94.38 C +HETATM 93 O HYP A 15 -0.477 -5.240 3.608 1.00 93.61 O +HETATM 94 CB HYP A 15 -2.497 -5.986 1.306 1.00 91.88 C +HETATM 95 CG HYP A 15 -2.966 -7.418 1.177 1.00 90.46 C +HETATM 96 CD HYP A 15 -2.008 -8.168 2.081 1.00 91.99 C +HETATM 97 OD1 HYP A 15 -2.816 -7.829 -0.130 1.00 89.80 O +ATOM 98 N GLY A 16 0.093 -3.979 1.822 1.00 94.64 N +ATOM 99 CA GLY A 16 0.584 -2.908 2.638 1.00 94.47 C +ATOM 100 C GLY A 16 -0.541 -2.210 3.363 1.00 94.71 C +ATOM 101 O GLY A 16 -1.715 -2.450 3.098 1.00 94.09 O +ATOM 102 N PRO A 17 -0.179 -1.338 4.298 1.00 92.03 N +ATOM 103 CA PRO A 17 -1.191 -0.600 5.046 1.00 92.45 C +ATOM 104 C PRO A 17 -1.874 0.434 4.166 1.00 92.82 C +ATOM 105 O PRO A 17 -1.382 0.780 3.095 1.00 91.08 O +ATOM 106 CB PRO A 17 -0.390 0.055 6.167 1.00 90.34 C +ATOM 107 CG PRO A 17 0.966 0.218 5.584 1.00 88.89 C +ATOM 108 CD PRO A 17 1.176 -0.990 4.714 1.00 91.15 C +HETATM 109 N HYP A 18 -3.032 0.894 4.637 1.00 91.47 N +HETATM 110 CA HYP A 18 -3.692 1.953 3.942 1.00 89.45 C +HETATM 111 C HYP A 18 -2.828 3.168 3.787 1.00 92.76 C +HETATM 112 O HYP A 18 -1.983 3.444 4.669 1.00 91.52 O +HETATM 113 CB HYP A 18 -4.903 2.238 4.878 1.00 89.53 C +HETATM 114 CG HYP A 18 -5.166 0.917 5.576 1.00 87.70 C +HETATM 115 CD HYP A 18 -3.766 0.388 5.790 1.00 91.08 C +HETATM 116 OD1 HYP A 18 -5.882 0.056 4.724 1.00 88.36 O +ATOM 117 N GLY A 19 -2.978 3.842 2.704 1.00 87.73 N +ATOM 118 CA GLY A 19 -2.223 5.037 2.458 1.00 86.88 C +ATOM 119 C GLY A 19 -2.607 6.131 3.432 1.00 86.70 C +ATOM 120 O GLY A 19 -3.570 6.002 4.188 1.00 87.39 O +ATOM 121 N PRO A 20 -1.851 7.217 3.428 1.00 85.93 N +ATOM 122 CA PRO A 20 -2.135 8.318 4.333 1.00 86.56 C +ATOM 123 C PRO A 20 -3.421 9.033 3.965 1.00 86.11 C +ATOM 124 O PRO A 20 -3.874 8.976 2.826 1.00 85.81 O +ATOM 125 CB PRO A 20 -0.922 9.226 4.168 1.00 84.10 C +ATOM 126 CG PRO A 20 -0.472 8.957 2.776 1.00 82.41 C +ATOM 127 CD PRO A 20 -0.709 7.491 2.571 1.00 85.66 C +HETATM 128 N HYP A 21 -3.982 9.697 4.935 1.00 91.75 N +HETATM 129 CA HYP A 21 -5.140 10.501 4.693 1.00 89.26 C +HETATM 130 C HYP A 21 -4.894 11.610 3.706 1.00 92.17 C +HETATM 131 O HYP A 21 -3.777 12.158 3.673 1.00 93.09 O +HETATM 132 CB HYP A 21 -5.447 11.128 6.085 1.00 89.51 C +HETATM 133 CG HYP A 21 -4.826 10.191 7.085 1.00 86.58 C +HETATM 134 CD HYP A 21 -3.588 9.697 6.362 1.00 91.04 C +HETATM 135 OD1 HYP A 21 -5.700 9.089 7.304 1.00 87.74 O +ATOM 136 N GLY A 22 -5.805 11.865 2.863 1.00 90.40 N +ATOM 137 CA GLY A 22 -5.686 12.973 1.957 1.00 88.89 C +ATOM 138 C GLY A 22 -5.884 14.274 2.719 1.00 88.72 C +ATOM 139 O GLY A 22 -6.248 14.265 3.893 1.00 88.37 O +ATOM 140 N PRO A 23 -5.669 15.413 2.073 1.00 92.01 N +ATOM 141 CA PRO A 23 -5.894 16.693 2.733 1.00 91.89 C +ATOM 142 C PRO A 23 -7.389 16.923 2.880 1.00 90.62 C +ATOM 143 O PRO A 23 -8.099 17.054 1.889 1.00 86.27 O +ATOM 144 CB PRO A 23 -5.241 17.699 1.790 1.00 88.67 C +ATOM 145 CG PRO A 23 -5.296 17.040 0.461 1.00 86.48 C +ATOM 146 CD PRO A 23 -5.166 15.556 0.720 1.00 89.96 C +HETATM 147 N HYP A 24 -7.907 16.822 4.047 1.00 95.16 N +HETATM 148 CA HYP A 24 -9.371 16.513 4.203 1.00 89.63 C +HETATM 149 C HYP A 24 -9.910 15.323 3.778 1.00 95.09 C +HETATM 150 O HYP A 24 -10.948 15.408 2.937 1.00 93.09 O +HETATM 151 CB HYP A 24 -9.748 17.117 5.553 1.00 89.52 C +HETATM 152 CG HYP A 24 -8.716 18.226 5.767 1.00 89.79 C +HETATM 153 CD HYP A 24 -7.436 17.686 5.046 1.00 92.94 C +HETATM 154 OD1 HYP A 24 -8.555 18.698 7.026 1.00 89.75 O +HETATM 155 OXT HYP A 24 -10.235 14.355 4.734 1.00 88.80 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_262.txt b/protein_pdb_262.txt new file mode 100644 index 0000000000000000000000000000000000000000..2ba9bff67be4e31a2f18d9fd222eb64743e031b2 --- /dev/null +++ b/protein_pdb_262.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 11.744 -11.026 -3.903 1.00 86.94 N +ATOM 2 CA GLY A 1 11.214 -10.285 -5.037 1.00 88.10 C +ATOM 3 C GLY A 1 10.881 -8.868 -4.654 1.00 89.00 C +ATOM 4 O GLY A 1 11.029 -8.479 -3.498 1.00 86.53 O +ATOM 5 N PRO A 2 10.411 -8.087 -5.596 1.00 86.41 N +ATOM 6 CA PRO A 2 10.096 -6.691 -5.334 1.00 87.77 C +ATOM 7 C PRO A 2 8.838 -6.539 -4.498 1.00 88.11 C +ATOM 8 O PRO A 2 8.046 -7.463 -4.364 1.00 85.55 O +ATOM 9 CB PRO A 2 9.906 -6.104 -6.728 1.00 84.36 C +ATOM 10 CG PRO A 2 9.424 -7.257 -7.535 1.00 80.75 C +ATOM 11 CD PRO A 2 10.143 -8.457 -6.989 1.00 81.70 C +HETATM 12 N HYP A 3 8.715 -5.398 -3.969 1.00 86.77 N +HETATM 13 CA HYP A 3 7.485 -5.058 -3.237 1.00 85.85 C +HETATM 14 C HYP A 3 6.268 -5.197 -4.104 1.00 88.17 C +HETATM 15 O HYP A 3 6.357 -5.006 -5.341 1.00 91.58 O +HETATM 16 CB HYP A 3 7.739 -3.571 -2.857 1.00 87.82 C +HETATM 17 CG HYP A 3 9.254 -3.438 -2.810 1.00 84.95 C +HETATM 18 CD HYP A 3 9.689 -4.342 -3.990 1.00 87.61 C +HETATM 19 OD1 HYP A 3 9.729 -3.991 -1.613 1.00 87.99 O +ATOM 20 N GLY A 4 5.181 -5.574 -3.497 1.00 91.14 N +ATOM 21 CA GLY A 4 3.941 -5.675 -4.217 1.00 90.85 C +ATOM 22 C GLY A 4 3.429 -4.312 -4.636 1.00 91.72 C +ATOM 23 O GLY A 4 3.974 -3.277 -4.254 1.00 91.99 O +ATOM 24 N PRO A 5 2.381 -4.310 -5.432 1.00 90.71 N +ATOM 25 CA PRO A 5 1.815 -3.052 -5.889 1.00 90.67 C +ATOM 26 C PRO A 5 1.129 -2.302 -4.761 1.00 90.60 C +ATOM 27 O PRO A 5 0.761 -2.885 -3.746 1.00 89.36 O +ATOM 28 CB PRO A 5 0.820 -3.484 -6.954 1.00 88.53 C +ATOM 29 CG PRO A 5 0.405 -4.847 -6.520 1.00 86.47 C +ATOM 30 CD PRO A 5 1.628 -5.467 -5.919 1.00 88.78 C +HETATM 31 N HYP A 6 0.991 -1.000 -4.963 1.00 90.57 N +HETATM 32 CA HYP A 6 0.219 -0.225 -4.022 1.00 93.55 C +HETATM 33 C HYP A 6 -1.178 -0.721 -3.900 1.00 92.79 C +HETATM 34 O HYP A 6 -1.736 -1.291 -4.863 1.00 92.37 O +HETATM 35 CB HYP A 6 0.259 1.180 -4.687 1.00 88.85 C +HETATM 36 CG HYP A 6 1.518 1.183 -5.507 1.00 87.20 C +HETATM 37 CD HYP A 6 1.565 -0.237 -6.040 1.00 89.95 C +HETATM 38 OD1 HYP A 6 2.626 1.405 -4.662 1.00 89.51 O +ATOM 39 N GLY A 7 -1.729 -0.594 -2.729 1.00 92.51 N +ATOM 40 CA GLY A 7 -3.093 -0.969 -2.502 1.00 91.66 C +ATOM 41 C GLY A 7 -4.039 -0.091 -3.288 1.00 92.10 C +ATOM 42 O GLY A 7 -3.647 0.904 -3.892 1.00 91.80 O +ATOM 43 N PRO A 8 -5.301 -0.475 -3.288 1.00 92.50 N +ATOM 44 CA PRO A 8 -6.280 0.300 -4.027 1.00 92.26 C +ATOM 45 C PRO A 8 -6.537 1.645 -3.370 1.00 92.31 C +ATOM 46 O PRO A 8 -6.319 1.831 -2.181 1.00 90.68 O +ATOM 47 CB PRO A 8 -7.522 -0.582 -4.004 1.00 89.97 C +ATOM 48 CG PRO A 8 -7.366 -1.398 -2.783 1.00 88.74 C +ATOM 49 CD PRO A 8 -5.890 -1.628 -2.621 1.00 90.66 C +HETATM 50 N HYP A 9 -7.019 2.581 -4.170 1.00 87.78 N +HETATM 51 CA HYP A 9 -7.382 3.850 -3.664 1.00 90.29 C +HETATM 52 C HYP A 9 -8.538 3.738 -2.699 1.00 88.99 C +HETATM 53 O HYP A 9 -9.383 2.829 -2.810 1.00 89.42 O +HETATM 54 CB HYP A 9 -7.889 4.595 -4.933 1.00 83.99 C +HETATM 55 CG HYP A 9 -7.273 3.891 -6.081 1.00 83.16 C +HETATM 56 CD HYP A 9 -7.163 2.481 -5.652 1.00 88.29 C +HETATM 57 OD1 HYP A 9 -5.955 4.401 -6.259 1.00 85.15 O +ATOM 58 N GLY A 10 -8.608 4.571 -1.723 1.00 91.80 N +ATOM 59 CA GLY A 10 -9.787 4.694 -0.902 1.00 89.40 C +ATOM 60 C GLY A 10 -10.894 5.344 -1.707 1.00 90.06 C +ATOM 61 O GLY A 10 -10.786 5.541 -2.919 1.00 88.28 O +ATOM 62 N LEU A 11 -11.970 5.673 -1.021 1.00 89.44 N +ATOM 63 CA LEU A 11 -13.080 6.309 -1.723 1.00 92.28 C +ATOM 64 C LEU A 11 -12.597 7.530 -2.497 1.00 92.37 C +ATOM 65 O LEU A 11 -12.961 7.721 -3.658 1.00 90.35 O +ATOM 66 CB LEU A 11 -14.166 6.697 -0.717 1.00 91.28 C +ATOM 67 CG LEU A 11 -15.390 7.377 -1.301 1.00 85.59 C +ATOM 68 CD1 LEU A 11 -16.069 6.518 -2.339 1.00 83.97 C +ATOM 69 CD2 LEU A 11 -16.371 7.741 -0.184 1.00 80.59 C +ATOM 70 N THR A 12 -11.775 8.341 -1.846 1.00 92.64 N +ATOM 71 CA THR A 12 -11.121 9.468 -2.494 1.00 93.28 C +ATOM 72 C THR A 12 -9.646 9.532 -2.136 1.00 93.24 C +ATOM 73 O THR A 12 -8.917 10.381 -2.666 1.00 90.43 O +ATOM 74 CB THR A 12 -11.785 10.810 -2.097 1.00 91.13 C +ATOM 75 OG1 THR A 12 -11.678 10.977 -0.688 1.00 87.67 O +ATOM 76 CG2 THR A 12 -13.252 10.837 -2.491 1.00 84.87 C +ATOM 77 N GLY A 13 -9.210 8.679 -1.251 1.00 94.36 N +ATOM 78 CA GLY A 13 -7.871 8.741 -0.710 1.00 93.50 C +ATOM 79 C GLY A 13 -6.814 8.120 -1.588 1.00 94.11 C +ATOM 80 O GLY A 13 -7.098 7.587 -2.663 1.00 93.80 O +ATOM 81 N PRO A 14 -5.584 8.195 -1.125 1.00 92.23 N +ATOM 82 CA PRO A 14 -4.451 7.684 -1.884 1.00 92.07 C +ATOM 83 C PRO A 14 -4.403 6.167 -1.889 1.00 92.52 C +ATOM 84 O PRO A 14 -5.068 5.505 -1.104 1.00 91.12 O +ATOM 85 CB PRO A 14 -3.250 8.266 -1.146 1.00 90.43 C +ATOM 86 CG PRO A 14 -3.715 8.353 0.263 1.00 89.39 C +ATOM 87 CD PRO A 14 -5.167 8.748 0.171 1.00 90.33 C +HETATM 88 N HYP A 15 -3.585 5.699 -2.766 1.00 91.78 N +HETATM 89 CA HYP A 15 -3.330 4.271 -2.787 1.00 92.85 C +HETATM 90 C HYP A 15 -2.721 3.806 -1.511 1.00 92.65 C +HETATM 91 O HYP A 15 -2.049 4.590 -0.793 1.00 93.13 O +HETATM 92 CB HYP A 15 -2.280 4.180 -3.935 1.00 88.83 C +HETATM 93 CG HYP A 15 -2.541 5.389 -4.810 1.00 86.18 C +HETATM 94 CD HYP A 15 -2.898 6.452 -3.805 1.00 91.06 C +HETATM 95 OD1 HYP A 15 -3.634 5.134 -5.655 1.00 89.09 O +ATOM 96 N GLY A 16 -2.970 2.584 -1.174 1.00 94.84 N +ATOM 97 CA GLY A 16 -2.335 1.997 -0.025 1.00 94.59 C +ATOM 98 C GLY A 16 -0.855 1.799 -0.262 1.00 94.83 C +ATOM 99 O GLY A 16 -0.344 2.029 -1.362 1.00 94.55 O +ATOM 100 N PRO A 17 -0.157 1.363 0.783 1.00 92.52 N +ATOM 101 CA PRO A 17 1.275 1.148 0.649 1.00 91.96 C +ATOM 102 C PRO A 17 1.581 -0.061 -0.214 1.00 92.62 C +ATOM 103 O PRO A 17 0.730 -0.913 -0.438 1.00 91.45 O +ATOM 104 CB PRO A 17 1.723 0.933 2.097 1.00 90.42 C +ATOM 105 CG PRO A 17 0.522 0.375 2.760 1.00 89.60 C +ATOM 106 CD PRO A 17 -0.651 1.044 2.115 1.00 90.91 C +HETATM 107 N HYP A 18 2.820 -0.103 -0.696 1.00 88.05 N +HETATM 108 CA HYP A 18 3.245 -1.260 -1.406 1.00 90.17 C +HETATM 109 C HYP A 18 3.159 -2.504 -0.581 1.00 90.15 C +HETATM 110 O HYP A 18 3.294 -2.451 0.662 1.00 90.72 O +HETATM 111 CB HYP A 18 4.730 -0.905 -1.698 1.00 87.78 C +HETATM 112 CG HYP A 18 4.775 0.595 -1.722 1.00 86.46 C +HETATM 113 CD HYP A 18 3.790 0.954 -0.623 1.00 90.18 C +HETATM 114 OD1 HYP A 18 4.277 1.057 -2.968 1.00 88.46 O +ATOM 115 N GLY A 19 2.903 -3.586 -1.218 1.00 89.82 N +ATOM 116 CA GLY A 19 2.886 -4.851 -0.546 1.00 89.66 C +ATOM 117 C GLY A 19 4.270 -5.236 -0.061 1.00 90.02 C +ATOM 118 O GLY A 19 5.262 -4.572 -0.362 1.00 90.52 O +ATOM 119 N PRO A 20 4.336 -6.325 0.688 1.00 85.51 N +ATOM 120 CA PRO A 20 5.623 -6.775 1.199 1.00 85.28 C +ATOM 121 C PRO A 20 6.498 -7.314 0.085 1.00 85.41 C +ATOM 122 O PRO A 20 6.020 -7.643 -0.995 1.00 85.87 O +ATOM 123 CB PRO A 20 5.231 -7.870 2.187 1.00 82.79 C +ATOM 124 CG PRO A 20 3.944 -8.381 1.658 1.00 80.04 C +ATOM 125 CD PRO A 20 3.238 -7.198 1.070 1.00 81.97 C +HETATM 126 N HYP A 21 7.778 -7.374 0.381 1.00 87.26 N +HETATM 127 CA HYP A 21 8.683 -7.977 -0.559 1.00 87.39 C +HETATM 128 C HYP A 21 8.308 -9.394 -0.913 1.00 87.79 C +HETATM 129 O HYP A 21 7.754 -10.099 -0.068 1.00 92.01 O +HETATM 130 CB HYP A 21 10.025 -7.913 0.141 1.00 86.62 C +HETATM 131 CG HYP A 21 9.897 -6.758 1.117 1.00 81.45 C +HETATM 132 CD HYP A 21 8.459 -6.847 1.569 1.00 87.89 C +HETATM 133 OD1 HYP A 21 10.060 -5.524 0.405 1.00 85.54 O +ATOM 134 N GLY A 22 8.479 -9.758 -2.141 1.00 89.24 N +ATOM 135 CA GLY A 22 8.208 -11.097 -2.570 1.00 87.18 C +ATOM 136 C GLY A 22 9.223 -12.071 -1.986 1.00 87.00 C +ATOM 137 O GLY A 22 10.127 -11.682 -1.248 1.00 87.33 O +ATOM 138 N PRO A 23 9.092 -13.337 -2.321 1.00 89.23 N +ATOM 139 CA PRO A 23 10.047 -14.331 -1.847 1.00 88.68 C +ATOM 140 C PRO A 23 11.449 -13.964 -2.280 1.00 87.14 C +ATOM 141 O PRO A 23 11.645 -13.385 -3.348 1.00 83.91 O +ATOM 142 CB PRO A 23 9.585 -15.617 -2.519 1.00 84.99 C +ATOM 143 CG PRO A 23 8.151 -15.373 -2.804 1.00 81.17 C +ATOM 144 CD PRO A 23 8.053 -13.922 -3.140 1.00 83.93 C +HETATM 145 N HYP A 24 12.423 -14.249 -1.574 1.00 89.89 N +HETATM 146 CA HYP A 24 13.736 -13.767 -1.916 1.00 85.01 C +HETATM 147 C HYP A 24 13.835 -13.031 -3.149 1.00 87.86 C +HETATM 148 O HYP A 24 14.771 -12.257 -3.372 1.00 82.60 O +HETATM 149 CB HYP A 24 14.676 -14.575 -1.211 1.00 85.09 C +HETATM 150 CG HYP A 24 13.869 -15.454 -0.247 1.00 84.38 C +HETATM 151 CD HYP A 24 12.416 -15.301 -0.644 1.00 88.54 C +HETATM 152 OD1 HYP A 24 13.984 -14.942 1.079 1.00 84.37 O +HETATM 153 OXT HYP A 24 13.063 -13.301 -4.072 1.00 82.37 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_263.txt b/protein_pdb_263.txt new file mode 100644 index 0000000000000000000000000000000000000000..6f823516ff45be3929f0249568fe7274af402657 --- /dev/null +++ b/protein_pdb_263.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 7.280 -0.615 5.453 1.00 77.54 N +ATOM 2 CA GLY A 1 7.275 -1.179 4.116 1.00 79.90 C +ATOM 3 C GLY A 1 6.704 -0.210 3.107 1.00 81.20 C +ATOM 4 O GLY A 1 6.271 0.889 3.460 1.00 77.61 O +ATOM 5 N PRO A 2 6.675 -0.589 1.799 1.00 79.11 N +ATOM 6 CA PRO A 2 6.189 0.293 0.746 1.00 81.37 C +ATOM 7 C PRO A 2 4.677 0.441 0.774 1.00 81.51 C +ATOM 8 O PRO A 2 3.973 -0.348 1.388 1.00 78.58 O +ATOM 9 CB PRO A 2 6.647 -0.412 -0.534 1.00 77.98 C +ATOM 10 CG PRO A 2 6.683 -1.846 -0.163 1.00 73.69 C +ATOM 11 CD PRO A 2 7.121 -1.875 1.272 1.00 73.47 C +HETATM 12 N HYP A 3 4.173 1.480 0.130 1.00 82.57 N +HETATM 13 CA HYP A 3 2.738 1.660 -0.052 1.00 84.45 C +HETATM 14 C HYP A 3 2.117 0.463 -0.729 1.00 82.77 C +HETATM 15 O HYP A 3 2.815 -0.258 -1.500 1.00 84.05 O +HETATM 16 CB HYP A 3 2.733 2.905 -1.025 1.00 80.98 C +HETATM 17 CG HYP A 3 3.980 3.685 -0.668 1.00 78.82 C +HETATM 18 CD HYP A 3 5.005 2.550 -0.453 1.00 83.49 C +HETATM 19 OD1 HYP A 3 3.780 4.400 0.529 1.00 80.28 O +ATOM 20 N GLY A 4 0.913 0.166 -0.417 1.00 84.24 N +ATOM 21 CA GLY A 4 0.232 -0.959 -0.999 1.00 83.05 C +ATOM 22 C GLY A 4 0.056 -0.809 -2.497 1.00 83.22 C +ATOM 23 O GLY A 4 0.287 0.263 -3.062 1.00 82.12 O +ATOM 24 N PRO A 5 -0.345 -1.884 -3.141 1.00 84.91 N +ATOM 25 CA PRO A 5 -0.521 -1.857 -4.587 1.00 84.57 C +ATOM 26 C PRO A 5 -1.755 -1.069 -4.989 1.00 84.60 C +ATOM 27 O PRO A 5 -2.637 -0.801 -4.178 1.00 82.90 O +ATOM 28 CB PRO A 5 -0.661 -3.333 -4.945 1.00 82.11 C +ATOM 29 CG PRO A 5 -1.262 -3.938 -3.725 1.00 80.02 C +ATOM 30 CD PRO A 5 -0.655 -3.183 -2.571 1.00 81.90 C +HETATM 31 N HYP A 6 -1.817 -0.702 -6.252 1.00 85.07 N +HETATM 32 CA HYP A 6 -2.986 -0.082 -6.825 1.00 87.45 C +HETATM 33 C HYP A 6 -4.190 -0.970 -6.719 1.00 84.69 C +HETATM 34 O HYP A 6 -4.046 -2.198 -6.628 1.00 85.23 O +HETATM 35 CB HYP A 6 -2.531 0.114 -8.291 1.00 82.73 C +HETATM 36 CG HYP A 6 -1.036 0.325 -8.195 1.00 81.17 C +HETATM 37 CD HYP A 6 -0.647 -0.669 -7.138 1.00 85.04 C +HETATM 38 OD1 HYP A 6 -0.713 1.640 -7.797 1.00 81.99 O +ATOM 39 N GLY A 7 -5.344 -0.399 -6.677 1.00 84.91 N +ATOM 40 CA GLY A 7 -6.570 -1.146 -6.562 1.00 83.26 C +ATOM 41 C GLY A 7 -6.832 -2.001 -7.790 1.00 83.70 C +ATOM 42 O GLY A 7 -6.031 -2.042 -8.727 1.00 82.76 O +ATOM 43 N PRO A 8 -7.973 -2.684 -7.786 1.00 84.70 N +ATOM 44 CA PRO A 8 -8.314 -3.546 -8.914 1.00 85.26 C +ATOM 45 C PRO A 8 -8.564 -2.752 -10.183 1.00 85.21 C +ATOM 46 O PRO A 8 -8.756 -1.535 -10.158 1.00 83.27 O +ATOM 47 CB PRO A 8 -9.562 -4.281 -8.450 1.00 82.73 C +ATOM 48 CG PRO A 8 -10.040 -3.583 -7.249 1.00 82.40 C +ATOM 49 CD PRO A 8 -8.967 -2.684 -6.736 1.00 84.31 C +HETATM 50 N HYP A 9 -8.550 -3.470 -11.336 1.00 82.78 N +HETATM 51 CA HYP A 9 -8.855 -2.905 -12.582 1.00 85.49 C +HETATM 52 C HYP A 9 -10.024 -2.061 -12.602 1.00 84.09 C +HETATM 53 O HYP A 9 -10.991 -2.382 -11.900 1.00 83.97 O +HETATM 54 CB HYP A 9 -8.871 -4.095 -13.554 1.00 81.75 C +HETATM 55 CG HYP A 9 -7.843 -5.026 -12.966 1.00 78.93 C +HETATM 56 CD HYP A 9 -8.015 -4.820 -11.482 1.00 82.58 C +HETATM 57 OD1 HYP A 9 -6.549 -4.683 -13.329 1.00 77.42 O +ATOM 58 N GLY A 10 -10.006 -0.929 -13.271 1.00 84.18 N +ATOM 59 CA GLY A 10 -11.093 0.015 -13.359 1.00 81.95 C +ATOM 60 C GLY A 10 -11.133 1.020 -12.228 1.00 82.16 C +ATOM 61 O GLY A 10 -11.916 1.961 -12.280 1.00 78.93 O +ATOM 62 N MET A 11 -10.330 0.845 -11.209 1.00 86.94 N +ATOM 63 CA MET A 11 -10.316 1.749 -10.075 1.00 87.23 C +ATOM 64 C MET A 11 -8.997 1.598 -9.336 1.00 86.94 C +ATOM 65 O MET A 11 -8.730 0.559 -8.736 1.00 83.45 O +ATOM 66 CB MET A 11 -11.477 1.455 -9.132 1.00 83.81 C +ATOM 67 CG MET A 11 -11.563 2.408 -7.961 1.00 79.65 C +ATOM 68 SD MET A 11 -12.997 2.103 -6.932 1.00 75.27 S +ATOM 69 CE MET A 11 -12.543 0.542 -6.204 1.00 70.53 C +ATOM 70 N VAL A 12 -8.172 2.627 -9.387 1.00 82.37 N +ATOM 71 CA VAL A 12 -6.914 2.604 -8.664 1.00 82.10 C +ATOM 72 C VAL A 12 -7.218 3.015 -7.234 1.00 82.25 C +ATOM 73 O VAL A 12 -7.594 4.157 -6.969 1.00 78.10 O +ATOM 74 CB VAL A 12 -5.876 3.549 -9.301 1.00 78.27 C +ATOM 75 CG1 VAL A 12 -4.599 3.554 -8.481 1.00 72.64 C +ATOM 76 CG2 VAL A 12 -5.579 3.116 -10.726 1.00 72.85 C +ATOM 77 N GLY A 13 -7.065 2.081 -6.341 1.00 84.46 N +ATOM 78 CA GLY A 13 -7.310 2.371 -4.949 1.00 82.60 C +ATOM 79 C GLY A 13 -6.223 3.232 -4.350 1.00 84.11 C +ATOM 80 O GLY A 13 -5.178 3.462 -4.960 1.00 83.53 O +ATOM 81 N PRO A 14 -6.462 3.742 -3.155 1.00 79.53 N +ATOM 82 CA PRO A 14 -5.439 4.546 -2.497 1.00 79.97 C +ATOM 83 C PRO A 14 -4.242 3.679 -2.127 1.00 80.82 C +ATOM 84 O PRO A 14 -4.364 2.461 -1.988 1.00 78.29 O +ATOM 85 CB PRO A 14 -6.141 5.095 -1.260 1.00 76.77 C +ATOM 86 CG PRO A 14 -7.278 4.185 -1.016 1.00 75.80 C +ATOM 87 CD PRO A 14 -7.667 3.594 -2.338 1.00 75.10 C +HETATM 88 N HYP A 15 -3.102 4.317 -1.973 1.00 80.88 N +HETATM 89 CA HYP A 15 -1.947 3.580 -1.554 1.00 80.95 C +HETATM 90 C HYP A 15 -2.219 2.905 -0.232 1.00 83.65 C +HETATM 91 O HYP A 15 -2.980 3.470 0.590 1.00 82.75 O +HETATM 92 CB HYP A 15 -0.888 4.714 -1.455 1.00 79.04 C +HETATM 93 CG HYP A 15 -1.365 5.747 -2.477 1.00 79.62 C +HETATM 94 CD HYP A 15 -2.855 5.720 -2.290 1.00 83.10 C +HETATM 95 OD1 HYP A 15 -1.015 5.362 -3.786 1.00 79.96 O +ATOM 96 N GLY A 16 -1.696 1.751 -0.080 1.00 80.34 N +ATOM 97 CA GLY A 16 -1.845 1.066 1.176 1.00 78.19 C +ATOM 98 C GLY A 16 -1.045 1.760 2.257 1.00 78.83 C +ATOM 99 O GLY A 16 -0.220 2.634 1.977 1.00 78.10 O +ATOM 100 N PRO A 17 -1.294 1.385 3.493 1.00 77.82 N +ATOM 101 CA PRO A 17 -0.546 1.990 4.587 1.00 77.96 C +ATOM 102 C PRO A 17 0.906 1.539 4.565 1.00 77.72 C +ATOM 103 O PRO A 17 1.244 0.516 3.985 1.00 76.20 O +ATOM 104 CB PRO A 17 -1.275 1.487 5.828 1.00 75.98 C +ATOM 105 CG PRO A 17 -1.879 0.200 5.399 1.00 75.61 C +ATOM 106 CD PRO A 17 -2.249 0.387 3.961 1.00 75.66 C +HETATM 107 N HYP A 18 1.767 2.312 5.203 1.00 80.05 N +HETATM 108 CA HYP A 18 3.103 1.878 5.341 1.00 80.87 C +HETATM 109 C HYP A 18 3.169 0.547 6.032 1.00 77.75 C +HETATM 110 O HYP A 18 2.291 0.243 6.857 1.00 81.64 O +HETATM 111 CB HYP A 18 3.694 3.012 6.207 1.00 76.24 C +HETATM 112 CG HYP A 18 2.883 4.245 5.855 1.00 75.77 C +HETATM 113 CD HYP A 18 1.511 3.672 5.684 1.00 80.69 C +HETATM 114 OD1 HYP A 18 3.315 4.818 4.627 1.00 78.75 O +ATOM 115 N GLY A 19 4.108 -0.276 5.653 1.00 79.92 N +ATOM 116 CA GLY A 19 4.281 -1.558 6.284 1.00 78.36 C +ATOM 117 C GLY A 19 4.652 -1.401 7.742 1.00 79.52 C +ATOM 118 O GLY A 19 4.958 -0.301 8.205 1.00 78.58 O +ATOM 119 N PRO A 20 4.625 -2.497 8.459 1.00 69.11 N +ATOM 120 CA PRO A 20 4.963 -2.439 9.870 1.00 70.88 C +ATOM 121 C PRO A 20 6.446 -2.151 10.071 1.00 69.21 C +ATOM 122 O PRO A 20 7.253 -2.321 9.167 1.00 68.83 O +ATOM 123 CB PRO A 20 4.586 -3.829 10.382 1.00 68.66 C +ATOM 124 CG PRO A 20 4.711 -4.697 9.183 1.00 65.86 C +ATOM 125 CD PRO A 20 4.295 -3.847 8.018 1.00 65.36 C +HETATM 126 N HYP A 21 6.796 -1.698 11.236 1.00 75.26 N +HETATM 127 CA HYP A 21 8.161 -1.518 11.584 1.00 75.59 C +HETATM 128 C HYP A 21 8.976 -2.782 11.406 1.00 72.29 C +HETATM 129 O HYP A 21 8.416 -3.872 11.532 1.00 78.35 O +HETATM 130 CB HYP A 21 8.045 -1.122 13.069 1.00 71.54 C +HETATM 131 CG HYP A 21 6.661 -0.489 13.207 1.00 70.30 C +HETATM 132 CD HYP A 21 5.842 -1.292 12.255 1.00 78.16 C +HETATM 133 OD1 HYP A 21 6.654 0.862 12.764 1.00 76.17 O +ATOM 134 N GLY A 22 10.199 -2.681 11.018 1.00 72.94 N +ATOM 135 CA GLY A 22 11.054 -3.825 10.863 1.00 71.68 C +ATOM 136 C GLY A 22 11.232 -4.560 12.179 1.00 71.00 C +ATOM 137 O GLY A 22 10.779 -4.106 13.226 1.00 68.91 O +ATOM 138 N PRO A 23 11.908 -5.688 12.124 1.00 65.23 N +ATOM 139 CA PRO A 23 12.109 -6.461 13.343 1.00 68.28 C +ATOM 140 C PRO A 23 13.008 -5.724 14.314 1.00 67.54 C +ATOM 141 O PRO A 23 13.845 -4.910 13.917 1.00 64.72 O +ATOM 142 CB PRO A 23 12.747 -7.755 12.842 1.00 63.16 C +ATOM 143 CG PRO A 23 13.410 -7.372 11.576 1.00 58.98 C +ATOM 144 CD PRO A 23 12.541 -6.310 10.969 1.00 59.80 C +HETATM 145 N HYP A 24 12.900 -5.993 15.555 1.00 77.29 N +HETATM 146 CA HYP A 24 13.763 -5.352 16.491 1.00 70.91 C +HETATM 147 C HYP A 24 15.168 -5.457 16.122 1.00 66.66 C +HETATM 148 O HYP A 24 15.523 -6.503 15.575 1.00 72.30 O +HETATM 149 CB HYP A 24 13.354 -5.979 17.838 1.00 67.02 C +HETATM 150 CG HYP A 24 11.956 -6.485 17.642 1.00 65.07 C +HETATM 151 CD HYP A 24 11.942 -6.886 16.185 1.00 73.08 C +HETATM 152 OD1 HYP A 24 11.015 -5.439 17.865 1.00 72.25 O +HETATM 153 OXT HYP A 24 15.934 -4.511 16.419 1.00 71.99 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_264.txt b/protein_pdb_264.txt new file mode 100644 index 0000000000000000000000000000000000000000..53eafbd64f268ef6c91419d10c7edeb83c9b4464 --- /dev/null +++ b/protein_pdb_264.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -6.035 15.182 1.815 1.00 92.51 N +ATOM 2 CA GLY A 1 -6.415 14.098 0.970 1.00 93.34 C +ATOM 3 C GLY A 1 -6.742 12.824 1.725 1.00 94.03 C +ATOM 4 O GLY A 1 -6.380 12.673 2.889 1.00 92.44 O +ATOM 5 N PRO A 2 -7.382 11.925 1.074 1.00 92.81 N +ATOM 6 CA PRO A 2 -7.765 10.666 1.694 1.00 93.19 C +ATOM 7 C PRO A 2 -6.592 9.707 1.809 1.00 92.83 C +ATOM 8 O PRO A 2 -5.565 9.881 1.164 1.00 91.03 O +ATOM 9 CB PRO A 2 -8.826 10.131 0.735 1.00 90.51 C +ATOM 10 CG PRO A 2 -8.407 10.669 -0.581 1.00 87.56 C +ATOM 11 CD PRO A 2 -7.863 12.045 -0.293 1.00 90.25 C +HETATM 12 N HYP A 3 -6.794 8.702 2.644 1.00 93.57 N +HETATM 13 CA HYP A 3 -5.767 7.674 2.782 1.00 90.75 C +HETATM 14 C HYP A 3 -5.570 6.917 1.468 1.00 93.45 C +HETATM 15 O HYP A 3 -6.530 6.800 0.672 1.00 93.69 O +HETATM 16 CB HYP A 3 -6.437 6.694 3.828 1.00 91.06 C +HETATM 17 CG HYP A 3 -7.345 7.594 4.633 1.00 88.67 C +HETATM 18 CD HYP A 3 -7.878 8.582 3.567 1.00 92.06 C +HETATM 19 OD1 HYP A 3 -6.580 8.288 5.573 1.00 90.76 O +ATOM 20 N GLY A 4 -4.368 6.501 1.225 1.00 93.30 N +ATOM 21 CA GLY A 4 -4.070 5.742 0.044 1.00 92.45 C +ATOM 22 C GLY A 4 -4.671 4.353 0.121 1.00 92.94 C +ATOM 23 O GLY A 4 -5.157 3.921 1.165 1.00 92.83 O +ATOM 24 N PRO A 5 -4.641 3.627 -0.995 1.00 92.90 N +ATOM 25 CA PRO A 5 -5.195 2.280 -1.028 1.00 93.08 C +ATOM 26 C PRO A 5 -4.315 1.297 -0.270 1.00 92.61 C +ATOM 27 O PRO A 5 -3.146 1.563 -0.010 1.00 91.28 O +ATOM 28 CB PRO A 5 -5.234 1.957 -2.519 1.00 91.28 C +ATOM 29 CG PRO A 5 -4.111 2.749 -3.081 1.00 90.00 C +ATOM 30 CD PRO A 5 -4.083 4.019 -2.282 1.00 92.43 C +HETATM 31 N HYP A 6 -4.932 0.154 0.073 1.00 92.99 N +HETATM 32 CA HYP A 6 -4.161 -0.912 0.692 1.00 92.95 C +HETATM 33 C HYP A 6 -3.044 -1.373 -0.216 1.00 93.46 C +HETATM 34 O HYP A 6 -3.156 -1.288 -1.462 1.00 93.33 O +HETATM 35 CB HYP A 6 -5.240 -2.028 0.857 1.00 89.29 C +HETATM 36 CG HYP A 6 -6.542 -1.281 0.951 1.00 89.24 C +HETATM 37 CD HYP A 6 -6.353 -0.135 -0.042 1.00 91.71 C +HETATM 38 OD1 HYP A 6 -6.702 -0.764 2.245 1.00 88.64 O +ATOM 39 N GLY A 7 -1.964 -1.791 0.365 1.00 93.81 N +ATOM 40 CA GLY A 7 -0.851 -2.298 -0.388 1.00 93.56 C +ATOM 41 C GLY A 7 -1.220 -3.580 -1.115 1.00 93.72 C +ATOM 42 O GLY A 7 -2.257 -4.189 -0.850 1.00 93.30 O +ATOM 43 N PRO A 8 -0.374 -3.995 -2.029 1.00 92.72 N +ATOM 44 CA PRO A 8 -0.655 -5.198 -2.795 1.00 92.96 C +ATOM 45 C PRO A 8 -0.534 -6.464 -1.958 1.00 92.61 C +ATOM 46 O PRO A 8 0.238 -6.530 -1.010 1.00 89.96 O +ATOM 47 CB PRO A 8 0.374 -5.166 -3.926 1.00 90.49 C +ATOM 48 CG PRO A 8 1.471 -4.328 -3.409 1.00 89.27 C +ATOM 49 CD PRO A 8 0.858 -3.344 -2.465 1.00 91.59 C +HETATM 50 N HYP A 9 -1.317 -7.484 -2.404 1.00 91.97 N +HETATM 51 CA HYP A 9 -1.295 -8.758 -1.735 1.00 91.09 C +HETATM 52 C HYP A 9 0.029 -9.455 -2.026 1.00 92.55 C +HETATM 53 O HYP A 9 0.709 -9.147 -2.989 1.00 91.27 O +HETATM 54 CB HYP A 9 -2.345 -9.622 -2.503 1.00 88.21 C +HETATM 55 CG HYP A 9 -3.203 -8.651 -3.215 1.00 88.48 C +HETATM 56 CD HYP A 9 -2.315 -7.478 -3.489 1.00 91.00 C +HETATM 57 OD1 HYP A 9 -4.237 -8.239 -2.345 1.00 87.82 O +ATOM 58 N GLY A 10 0.441 -10.402 -1.358 1.00 91.46 N +ATOM 59 CA GLY A 10 1.611 -11.173 -1.697 1.00 89.77 C +ATOM 60 C GLY A 10 1.684 -12.447 -0.888 1.00 89.53 C +ATOM 61 O GLY A 10 0.966 -12.640 0.090 1.00 87.82 O +ATOM 62 N VAL A 11 2.580 -13.313 -1.309 1.00 90.79 N +ATOM 63 CA VAL A 11 2.789 -14.563 -0.597 1.00 92.21 C +ATOM 64 C VAL A 11 3.216 -14.292 0.837 1.00 92.35 C +ATOM 65 O VAL A 11 2.896 -15.052 1.753 1.00 89.94 O +ATOM 66 CB VAL A 11 3.846 -15.414 -1.320 1.00 90.35 C +ATOM 67 CG1 VAL A 11 4.098 -16.705 -0.577 1.00 84.79 C +ATOM 68 CG2 VAL A 11 3.403 -15.711 -2.749 1.00 84.86 C +ATOM 69 N GLU A 12 3.935 -13.194 1.017 1.00 90.38 N +ATOM 70 CA GLU A 12 4.471 -12.859 2.333 1.00 91.31 C +ATOM 71 C GLU A 12 3.452 -12.229 3.265 1.00 91.28 C +ATOM 72 O GLU A 12 3.754 -12.032 4.445 1.00 86.76 O +ATOM 73 CB GLU A 12 5.679 -11.950 2.167 1.00 87.81 C +ATOM 74 CG GLU A 12 6.738 -12.566 1.273 1.00 81.47 C +ATOM 75 CD GLU A 12 8.074 -11.853 1.334 1.00 76.21 C +ATOM 76 OE1 GLU A 12 8.402 -11.296 2.391 1.00 71.13 O +ATOM 77 OE2 GLU A 12 8.778 -11.869 0.322 1.00 72.58 O +ATOM 78 N GLY A 13 2.274 -11.913 2.779 1.00 93.56 N +ATOM 79 CA GLY A 13 1.286 -11.330 3.658 1.00 92.69 C +ATOM 80 C GLY A 13 0.090 -10.750 2.944 1.00 93.54 C +ATOM 81 O GLY A 13 0.034 -10.717 1.713 1.00 93.25 O +ATOM 82 N PRO A 14 -0.872 -10.298 3.717 1.00 93.33 N +ATOM 83 CA PRO A 14 -2.083 -9.701 3.171 1.00 93.37 C +ATOM 84 C PRO A 14 -1.809 -8.307 2.628 1.00 93.41 C +ATOM 85 O PRO A 14 -0.683 -7.813 2.691 1.00 91.81 O +ATOM 86 CB PRO A 14 -3.024 -9.660 4.369 1.00 91.80 C +ATOM 87 CG PRO A 14 -2.112 -9.476 5.529 1.00 90.70 C +ATOM 88 CD PRO A 14 -0.884 -10.278 5.190 1.00 92.19 C +HETATM 89 N HYP A 15 -2.885 -7.696 2.109 1.00 92.77 N +HETATM 90 CA HYP A 15 -2.736 -6.346 1.628 1.00 92.06 C +HETATM 91 C HYP A 15 -2.138 -5.463 2.676 1.00 93.28 C +HETATM 92 O HYP A 15 -2.418 -5.664 3.893 1.00 92.96 O +HETATM 93 CB HYP A 15 -4.184 -5.915 1.314 1.00 90.24 C +HETATM 94 CG HYP A 15 -4.893 -7.200 1.013 1.00 88.57 C +HETATM 95 CD HYP A 15 -4.256 -8.183 1.975 1.00 91.56 C +HETATM 96 OD1 HYP A 15 -4.636 -7.574 -0.292 1.00 88.96 O +ATOM 97 N GLY A 16 -1.318 -4.552 2.274 1.00 94.73 N +ATOM 98 CA GLY A 16 -0.732 -3.623 3.195 1.00 94.45 C +ATOM 99 C GLY A 16 -1.766 -2.652 3.725 1.00 94.94 C +ATOM 100 O GLY A 16 -2.899 -2.610 3.243 1.00 94.61 O +ATOM 101 N PRO A 17 -1.380 -1.877 4.718 1.00 91.01 N +ATOM 102 CA PRO A 17 -2.300 -0.897 5.283 1.00 91.15 C +ATOM 103 C PRO A 17 -2.546 0.245 4.315 1.00 91.33 C +ATOM 104 O PRO A 17 -1.794 0.444 3.366 1.00 89.98 O +ATOM 105 CB PRO A 17 -1.580 -0.420 6.540 1.00 89.43 C +ATOM 106 CG PRO A 17 -0.144 -0.626 6.234 1.00 87.94 C +ATOM 107 CD PRO A 17 -0.083 -1.859 5.380 1.00 89.86 C +HETATM 108 N HYP A 18 -3.630 0.980 4.559 1.00 90.49 N +HETATM 109 CA HYP A 18 -3.888 2.135 3.766 1.00 86.46 C +HETATM 110 C HYP A 18 -2.762 3.123 3.810 1.00 91.77 C +HETATM 111 O HYP A 18 -2.064 3.239 4.850 1.00 91.11 O +HETATM 112 CB HYP A 18 -5.147 2.715 4.459 1.00 87.55 C +HETATM 113 CG HYP A 18 -5.823 1.510 5.081 1.00 86.99 C +HETATM 114 CD HYP A 18 -4.643 0.692 5.554 1.00 90.92 C +HETATM 115 OD1 HYP A 18 -6.535 0.801 4.094 1.00 87.19 O +ATOM 116 N GLY A 19 -2.527 3.768 2.725 1.00 88.44 N +ATOM 117 CA GLY A 19 -1.496 4.761 2.658 1.00 87.77 C +ATOM 118 C GLY A 19 -1.823 5.943 3.548 1.00 87.74 C +ATOM 119 O GLY A 19 -2.930 6.061 4.066 1.00 88.40 O +ATOM 120 N PRO A 20 -0.856 6.819 3.727 1.00 87.20 N +ATOM 121 CA PRO A 20 -1.061 7.982 4.572 1.00 87.97 C +ATOM 122 C PRO A 20 -2.006 8.984 3.934 1.00 87.24 C +ATOM 123 O PRO A 20 -2.175 9.014 2.720 1.00 87.04 O +ATOM 124 CB PRO A 20 0.337 8.563 4.721 1.00 85.54 C +ATOM 125 CG PRO A 20 1.026 8.151 3.473 1.00 82.94 C +ATOM 126 CD PRO A 20 0.481 6.786 3.154 1.00 85.89 C +HETATM 127 N HYP A 21 -2.616 9.777 4.784 1.00 91.06 N +HETATM 128 CA HYP A 21 -3.445 10.834 4.286 1.00 87.69 C +HETATM 129 C HYP A 21 -2.691 11.843 3.458 1.00 91.55 C +HETATM 130 O HYP A 21 -1.515 12.098 3.736 1.00 92.46 O +HETATM 131 CB HYP A 21 -3.931 11.535 5.604 1.00 88.50 C +HETATM 132 CG HYP A 21 -3.818 10.498 6.683 1.00 86.41 C +HETATM 133 CD HYP A 21 -2.597 9.704 6.263 1.00 91.21 C +HETATM 134 OD1 HYP A 21 -4.954 9.635 6.625 1.00 87.61 O +ATOM 135 N GLY A 22 -3.272 12.293 2.422 1.00 91.24 N +ATOM 136 CA GLY A 22 -2.667 13.334 1.647 1.00 89.65 C +ATOM 137 C GLY A 22 -2.761 14.652 2.402 1.00 89.74 C +ATOM 138 O GLY A 22 -3.418 14.739 3.436 1.00 89.05 O +ATOM 139 N PRO A 23 -2.118 15.690 1.894 1.00 92.60 N +ATOM 140 CA PRO A 23 -2.211 16.992 2.541 1.00 92.75 C +ATOM 141 C PRO A 23 -3.590 17.582 2.290 1.00 91.60 C +ATOM 142 O PRO A 23 -3.946 17.866 1.150 1.00 87.76 O +ATOM 143 CB PRO A 23 -1.100 17.804 1.875 1.00 90.01 C +ATOM 144 CG PRO A 23 -0.925 17.166 0.550 1.00 87.61 C +ATOM 145 CD PRO A 23 -1.258 15.702 0.727 1.00 90.70 C +HETATM 146 N HYP A 24 -4.409 17.596 3.244 1.00 95.17 N +HETATM 147 CA HYP A 24 -5.914 17.659 2.974 1.00 90.23 C +HETATM 148 C HYP A 24 -6.598 16.579 2.446 1.00 94.55 C +HETATM 149 O HYP A 24 -7.514 16.790 1.498 1.00 93.30 O +HETATM 150 CB HYP A 24 -6.448 18.450 4.111 1.00 90.51 C +HETATM 151 CG HYP A 24 -5.290 19.017 4.837 1.00 89.67 C +HETATM 152 CD HYP A 24 -4.009 18.385 4.327 1.00 92.59 C +HETATM 153 OD1 HYP A 24 -5.358 19.827 5.846 1.00 90.27 O +HETATM 154 OXT HYP A 24 -7.173 15.647 3.291 1.00 88.73 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_265.txt b/protein_pdb_265.txt new file mode 100644 index 0000000000000000000000000000000000000000..eeebd71176cdc7bf1798538273c2b4c3c97c35b7 --- /dev/null +++ b/protein_pdb_265.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 6.615 -14.244 -6.486 1.00 87.84 N +ATOM 2 CA GLY A 1 6.207 -13.176 -7.360 1.00 88.93 C +ATOM 3 C GLY A 1 6.602 -11.820 -6.837 1.00 89.93 C +ATOM 4 O GLY A 1 7.125 -11.699 -5.731 1.00 87.96 O +ATOM 5 N PRO A 2 6.302 -10.754 -7.593 1.00 87.84 N +ATOM 6 CA PRO A 2 6.674 -9.409 -7.198 1.00 89.28 C +ATOM 7 C PRO A 2 5.748 -8.847 -6.126 1.00 89.23 C +ATOM 8 O PRO A 2 4.674 -9.376 -5.874 1.00 86.70 O +ATOM 9 CB PRO A 2 6.538 -8.623 -8.498 1.00 86.31 C +ATOM 10 CG PRO A 2 5.479 -9.355 -9.249 1.00 82.78 C +ATOM 11 CD PRO A 2 5.662 -10.808 -8.905 1.00 84.32 C +HETATM 12 N HYP A 3 6.198 -7.776 -5.535 1.00 87.67 N +HETATM 13 CA HYP A 3 5.361 -7.082 -4.556 1.00 85.66 C +HETATM 14 C HYP A 3 4.073 -6.603 -5.196 1.00 89.88 C +HETATM 15 O HYP A 3 4.051 -6.317 -6.405 1.00 90.93 O +HETATM 16 CB HYP A 3 6.243 -5.857 -4.176 1.00 87.70 C +HETATM 17 CG HYP A 3 7.661 -6.338 -4.432 1.00 83.67 C +HETATM 18 CD HYP A 3 7.497 -7.207 -5.698 1.00 86.22 C +HETATM 19 OD1 HYP A 3 8.058 -7.146 -3.365 1.00 85.18 O +ATOM 20 N GLY A 4 3.037 -6.611 -4.417 1.00 91.40 N +ATOM 21 CA GLY A 4 1.774 -6.116 -4.885 1.00 91.25 C +ATOM 22 C GLY A 4 1.813 -4.614 -5.116 1.00 92.41 C +ATOM 23 O GLY A 4 2.780 -3.937 -4.764 1.00 92.32 O +ATOM 24 N PRO A 5 0.764 -4.098 -5.717 1.00 90.54 N +ATOM 25 CA PRO A 5 0.710 -2.669 -5.981 1.00 90.76 C +ATOM 26 C PRO A 5 0.529 -1.864 -4.706 1.00 90.64 C +ATOM 27 O PRO A 5 0.077 -2.380 -3.690 1.00 89.38 O +ATOM 28 CB PRO A 5 -0.509 -2.534 -6.890 1.00 89.11 C +ATOM 29 CG PRO A 5 -1.379 -3.669 -6.491 1.00 87.52 C +ATOM 30 CD PRO A 5 -0.448 -4.792 -6.141 1.00 89.79 C +HETATM 31 N HYP A 6 0.915 -0.589 -4.796 1.00 89.38 N +HETATM 32 CA HYP A 6 0.645 0.297 -3.688 1.00 90.38 C +HETATM 33 C HYP A 6 -0.818 0.385 -3.388 1.00 91.07 C +HETATM 34 O HYP A 6 -1.668 0.199 -4.295 1.00 90.36 O +HETATM 35 CB HYP A 6 1.158 1.665 -4.258 1.00 86.31 C +HETATM 36 CG HYP A 6 2.207 1.272 -5.257 1.00 85.54 C +HETATM 37 CD HYP A 6 1.620 0.026 -5.888 1.00 89.01 C +HETATM 38 OD1 HYP A 6 3.390 0.942 -4.565 1.00 86.60 O +ATOM 39 N GLY A 7 -1.125 0.564 -2.149 1.00 92.72 N +ATOM 40 CA GLY A 7 -2.492 0.752 -1.744 1.00 92.05 C +ATOM 41 C GLY A 7 -3.076 2.019 -2.328 1.00 92.50 C +ATOM 42 O GLY A 7 -2.369 2.849 -2.899 1.00 92.09 O +ATOM 43 N PRO A 8 -4.369 2.158 -2.196 1.00 91.84 N +ATOM 44 CA PRO A 8 -5.029 3.334 -2.742 1.00 91.85 C +ATOM 45 C PRO A 8 -4.680 4.589 -1.959 1.00 92.12 C +ATOM 46 O PRO A 8 -4.328 4.535 -0.785 1.00 90.55 O +ATOM 47 CB PRO A 8 -6.511 3.001 -2.637 1.00 89.47 C +ATOM 48 CG PRO A 8 -6.581 2.055 -1.496 1.00 87.81 C +ATOM 49 CD PRO A 8 -5.308 1.257 -1.531 1.00 89.92 C +HETATM 50 N HYP A 9 -4.809 5.723 -2.630 1.00 86.27 N +HETATM 51 CA HYP A 9 -4.601 6.965 -1.978 1.00 88.17 C +HETATM 52 C HYP A 9 -5.658 7.193 -0.930 1.00 88.88 C +HETATM 53 O HYP A 9 -6.810 6.735 -1.052 1.00 87.94 O +HETATM 54 CB HYP A 9 -4.853 8.010 -3.126 1.00 82.94 C +HETATM 55 CG HYP A 9 -4.667 7.259 -4.387 1.00 81.97 C +HETATM 56 CD HYP A 9 -5.103 5.888 -4.090 1.00 86.79 C +HETATM 57 OD1 HYP A 9 -3.278 7.233 -4.678 1.00 83.91 O +ATOM 58 N GLY A 10 -5.342 7.807 0.141 1.00 91.68 N +ATOM 59 CA GLY A 10 -6.338 8.291 1.071 1.00 89.45 C +ATOM 60 C GLY A 10 -7.086 9.455 0.457 1.00 89.24 C +ATOM 61 O GLY A 10 -6.846 9.856 -0.683 1.00 87.40 O +ATOM 62 N VAL A 11 -8.004 10.001 1.226 1.00 88.19 N +ATOM 63 CA VAL A 11 -8.749 11.152 0.729 1.00 90.41 C +ATOM 64 C VAL A 11 -7.785 12.249 0.285 1.00 90.21 C +ATOM 65 O VAL A 11 -7.959 12.856 -0.782 1.00 89.18 O +ATOM 66 CB VAL A 11 -9.729 11.669 1.792 1.00 89.27 C +ATOM 67 CG1 VAL A 11 -10.414 12.935 1.332 1.00 83.96 C +ATOM 68 CG2 VAL A 11 -10.759 10.592 2.100 1.00 84.09 C +ATOM 69 N THR A 12 -6.764 12.475 1.098 1.00 89.90 N +ATOM 70 CA THR A 12 -5.683 13.384 0.747 1.00 90.67 C +ATOM 71 C THR A 12 -4.321 12.735 0.947 1.00 90.62 C +ATOM 72 O THR A 12 -3.295 13.366 0.672 1.00 87.58 O +ATOM 73 CB THR A 12 -5.747 14.674 1.584 1.00 88.16 C +ATOM 74 OG1 THR A 12 -5.624 14.346 2.957 1.00 84.60 O +ATOM 75 CG2 THR A 12 -7.061 15.417 1.365 1.00 81.63 C +ATOM 76 N GLY A 13 -4.299 11.520 1.429 1.00 93.77 N +ATOM 77 CA GLY A 13 -3.067 10.875 1.831 1.00 93.04 C +ATOM 78 C GLY A 13 -2.376 10.122 0.724 1.00 93.61 C +ATOM 79 O GLY A 13 -2.901 9.970 -0.379 1.00 93.47 O +ATOM 80 N PRO A 14 -1.189 9.644 1.028 1.00 92.71 N +ATOM 81 CA PRO A 14 -0.394 8.916 0.051 1.00 92.48 C +ATOM 82 C PRO A 14 -0.912 7.507 -0.170 1.00 92.71 C +ATOM 83 O PRO A 14 -1.700 6.986 0.611 1.00 91.28 O +ATOM 84 CB PRO A 14 0.996 8.893 0.685 1.00 91.18 C +ATOM 85 CG PRO A 14 0.709 8.862 2.146 1.00 90.25 C +ATOM 86 CD PRO A 14 -0.505 9.736 2.327 1.00 91.24 C +HETATM 87 N HYP A 15 -0.400 6.932 -1.219 1.00 92.26 N +HETATM 88 CA HYP A 15 -0.687 5.533 -1.455 1.00 91.78 C +HETATM 89 C HYP A 15 -0.152 4.674 -0.356 1.00 93.18 C +HETATM 90 O HYP A 15 0.833 5.035 0.315 1.00 92.06 O +HETATM 91 CB HYP A 15 0.138 5.282 -2.749 1.00 88.82 C +HETATM 92 CG HYP A 15 0.230 6.641 -3.415 1.00 87.15 C +HETATM 93 CD HYP A 15 0.401 7.566 -2.253 1.00 90.75 C +HETATM 94 OD1 HYP A 15 -0.961 6.922 -4.091 1.00 87.99 O +ATOM 95 N GLY A 16 -0.808 3.592 -0.129 1.00 94.21 N +ATOM 96 CA GLY A 16 -0.310 2.629 0.820 1.00 93.85 C +ATOM 97 C GLY A 16 0.941 1.945 0.309 1.00 94.33 C +ATOM 98 O GLY A 16 1.345 2.123 -0.844 1.00 93.98 O +ATOM 99 N PRO A 17 1.553 1.154 1.172 1.00 90.70 N +ATOM 100 CA PRO A 17 2.762 0.449 0.773 1.00 90.48 C +ATOM 101 C PRO A 17 2.457 -0.669 -0.212 1.00 90.92 C +ATOM 102 O PRO A 17 1.321 -1.118 -0.327 1.00 89.28 O +ATOM 103 CB PRO A 17 3.290 -0.102 2.097 1.00 89.09 C +ATOM 104 CG PRO A 17 2.075 -0.261 2.933 1.00 88.04 C +ATOM 105 CD PRO A 17 1.157 0.860 2.545 1.00 89.00 C +HETATM 106 N HYP A 18 3.512 -1.094 -0.917 1.00 86.19 N +HETATM 107 CA HYP A 18 3.349 -2.236 -1.755 1.00 86.18 C +HETATM 108 C HYP A 18 2.927 -3.446 -1.004 1.00 88.25 C +HETATM 109 O HYP A 18 3.241 -3.599 0.188 1.00 88.20 O +HETATM 110 CB HYP A 18 4.800 -2.424 -2.295 1.00 84.93 C +HETATM 111 CG HYP A 18 5.407 -1.039 -2.252 1.00 83.68 C +HETATM 112 CD HYP A 18 4.819 -0.480 -0.980 1.00 87.97 C +HETATM 113 OD1 HYP A 18 4.944 -0.295 -3.361 1.00 85.45 O +ATOM 114 N GLY A 19 2.161 -4.272 -1.642 1.00 88.10 N +ATOM 115 CA GLY A 19 1.767 -5.518 -1.058 1.00 87.99 C +ATOM 116 C GLY A 19 2.949 -6.447 -0.886 1.00 88.31 C +ATOM 117 O GLY A 19 4.057 -6.174 -1.347 1.00 88.77 O +ATOM 118 N PRO A 20 2.702 -7.565 -0.221 1.00 81.91 N +ATOM 119 CA PRO A 20 3.772 -8.522 -0.003 1.00 82.75 C +ATOM 120 C PRO A 20 4.161 -9.223 -1.289 1.00 82.71 C +ATOM 121 O PRO A 20 3.406 -9.228 -2.257 1.00 83.72 O +ATOM 122 CB PRO A 20 3.160 -9.501 0.995 1.00 80.86 C +ATOM 123 CG PRO A 20 1.704 -9.428 0.715 1.00 78.03 C +ATOM 124 CD PRO A 20 1.432 -8.006 0.323 1.00 79.28 C +HETATM 125 N HYP A 21 5.365 -9.794 -1.256 1.00 85.46 N +HETATM 126 CA HYP A 21 5.765 -10.587 -2.390 1.00 84.18 C +HETATM 127 C HYP A 21 4.814 -11.716 -2.679 1.00 86.36 C +HETATM 128 O HYP A 21 4.206 -12.251 -1.752 1.00 89.72 O +HETATM 129 CB HYP A 21 7.147 -11.114 -1.987 1.00 84.41 C +HETATM 130 CG HYP A 21 7.663 -10.114 -0.981 1.00 79.78 C +HETATM 131 CD HYP A 21 6.422 -9.698 -0.231 1.00 85.97 C +HETATM 132 OD1 HYP A 21 8.164 -8.967 -1.681 1.00 80.63 O +ATOM 133 N GLY A 22 4.573 -11.967 -3.932 1.00 86.41 N +ATOM 134 CA GLY A 22 3.738 -13.062 -4.323 1.00 84.36 C +ATOM 135 C GLY A 22 4.400 -14.395 -4.016 1.00 84.14 C +ATOM 136 O GLY A 22 5.551 -14.448 -3.583 1.00 83.89 O +ATOM 137 N PRO A 23 3.689 -15.479 -4.258 1.00 87.81 N +ATOM 138 CA PRO A 23 4.268 -16.799 -4.042 1.00 87.46 C +ATOM 139 C PRO A 23 5.482 -16.994 -4.929 1.00 85.93 C +ATOM 140 O PRO A 23 5.432 -16.679 -6.115 1.00 82.57 O +ATOM 141 CB PRO A 23 3.143 -17.747 -4.439 1.00 84.09 C +ATOM 142 CG PRO A 23 1.913 -16.923 -4.366 1.00 80.89 C +ATOM 143 CD PRO A 23 2.327 -15.537 -4.736 1.00 82.99 C +HETATM 144 N HYP A 24 6.516 -17.401 -4.477 1.00 89.87 N +HETATM 145 CA HYP A 24 7.763 -17.409 -5.271 1.00 84.22 C +HETATM 146 C HYP A 24 7.879 -16.358 -6.244 1.00 87.99 C +HETATM 147 O HYP A 24 8.964 -15.735 -6.505 1.00 85.98 O +HETATM 148 CB HYP A 24 8.654 -18.226 -4.609 1.00 85.28 C +HETATM 149 CG HYP A 24 7.787 -19.129 -3.678 1.00 83.95 C +HETATM 150 CD HYP A 24 6.456 -18.418 -3.537 1.00 88.22 C +HETATM 151 OD1 HYP A 24 8.371 -19.208 -2.392 1.00 84.56 O +HETATM 152 OXT HYP A 24 7.008 -16.259 -7.117 1.00 82.54 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_266.txt b/protein_pdb_266.txt new file mode 100644 index 0000000000000000000000000000000000000000..f74088e17d669b8cf65b4ac2c6b13c29b6bfb23e --- /dev/null +++ b/protein_pdb_266.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 -7.679 14.159 -2.283 1.00 88.70 N +ATOM 2 CA GLY A 1 -8.185 12.995 -2.975 1.00 91.23 C +ATOM 3 C GLY A 1 -8.429 11.857 -2.033 1.00 92.32 C +ATOM 4 O GLY A 1 -8.226 11.981 -0.824 1.00 90.23 O +ATOM 5 N PRO A 2 -8.824 10.598 -2.523 1.00 90.22 N +ATOM 6 CA PRO A 2 -9.131 9.446 -1.684 1.00 91.68 C +ATOM 7 C PRO A 2 -7.880 8.786 -1.130 1.00 91.54 C +ATOM 8 O PRO A 2 -6.784 8.966 -1.639 1.00 89.78 O +ATOM 9 CB PRO A 2 -9.890 8.532 -2.640 1.00 88.50 C +ATOM 10 CG PRO A 2 -9.293 8.851 -3.956 1.00 85.07 C +ATOM 11 CD PRO A 2 -9.109 10.346 -3.926 1.00 88.35 C +HETATM 12 N HYP A 3 -8.074 8.023 -0.096 1.00 91.76 N +HETATM 13 CA HYP A 3 -6.970 7.244 0.487 1.00 88.95 C +HETATM 14 C HYP A 3 -6.428 6.227 -0.513 1.00 91.58 C +HETATM 15 O HYP A 3 -7.208 5.737 -1.367 1.00 92.87 O +HETATM 16 CB HYP A 3 -7.689 6.485 1.649 1.00 89.56 C +HETATM 17 CG HYP A 3 -8.841 7.401 2.033 1.00 86.33 C +HETATM 18 CD HYP A 3 -9.293 7.937 0.647 1.00 88.78 C +HETATM 19 OD1 HYP A 3 -8.357 8.457 2.805 1.00 88.93 O +ATOM 20 N GLY A 4 -5.158 5.975 -0.424 1.00 93.62 N +ATOM 21 CA GLY A 4 -4.548 5.007 -1.293 1.00 93.19 C +ATOM 22 C GLY A 4 -4.993 3.607 -0.930 1.00 93.81 C +ATOM 23 O GLY A 4 -5.615 3.385 0.110 1.00 93.87 O +ATOM 24 N PRO A 5 -4.676 2.635 -1.784 1.00 93.62 N +ATOM 25 CA PRO A 5 -5.069 1.255 -1.524 1.00 93.98 C +ATOM 26 C PRO A 5 -4.243 0.629 -0.413 1.00 93.53 C +ATOM 27 O PRO A 5 -3.171 1.115 -0.072 1.00 92.08 O +ATOM 28 CB PRO A 5 -4.831 0.574 -2.868 1.00 92.34 C +ATOM 29 CG PRO A 5 -3.670 1.333 -3.425 1.00 90.25 C +ATOM 30 CD PRO A 5 -3.961 2.762 -3.056 1.00 92.74 C +HETATM 31 N HYP A 6 -4.775 -0.448 0.136 1.00 93.48 N +HETATM 32 CA HYP A 6 -4.037 -1.200 1.127 1.00 93.95 C +HETATM 33 C HYP A 6 -2.733 -1.722 0.553 1.00 95.08 C +HETATM 34 O HYP A 6 -2.637 -1.965 -0.677 1.00 94.40 O +HETATM 35 CB HYP A 6 -4.984 -2.394 1.421 1.00 91.62 C +HETATM 36 CG HYP A 6 -6.358 -1.861 1.104 1.00 90.94 C +HETATM 37 CD HYP A 6 -6.105 -0.969 -0.105 1.00 92.50 C +HETATM 38 OD1 HYP A 6 -6.824 -1.089 2.178 1.00 90.47 O +ATOM 39 N GLY A 7 -1.747 -1.871 1.387 1.00 94.81 N +ATOM 40 CA GLY A 7 -0.488 -2.411 0.965 1.00 94.46 C +ATOM 41 C GLY A 7 -0.639 -3.869 0.566 1.00 95.03 C +ATOM 42 O GLY A 7 -1.658 -4.501 0.848 1.00 94.66 O +ATOM 43 N PRO A 8 0.367 -4.407 -0.087 1.00 94.71 N +ATOM 44 CA PRO A 8 0.298 -5.788 -0.536 1.00 94.55 C +ATOM 45 C PRO A 8 0.469 -6.800 0.588 1.00 94.61 C +ATOM 46 O PRO A 8 1.107 -6.532 1.598 1.00 92.76 O +ATOM 47 CB PRO A 8 1.430 -5.878 -1.564 1.00 92.61 C +ATOM 48 CG PRO A 8 2.429 -4.912 -1.035 1.00 91.25 C +ATOM 49 CD PRO A 8 1.600 -3.753 -0.536 1.00 93.51 C +HETATM 50 N HYP A 9 -0.130 -7.994 0.333 1.00 92.95 N +HETATM 51 CA HYP A 9 0.001 -9.079 1.266 1.00 93.07 C +HETATM 52 C HYP A 9 1.435 -9.586 1.195 1.00 93.87 C +HETATM 53 O HYP A 9 2.151 -9.327 0.247 1.00 93.41 O +HETATM 54 CB HYP A 9 -0.806 -10.253 0.681 1.00 90.30 C +HETATM 55 CG HYP A 9 -1.733 -9.643 -0.308 1.00 90.54 C +HETATM 56 CD HYP A 9 -1.025 -8.403 -0.802 1.00 92.21 C +HETATM 57 OD1 HYP A 9 -2.907 -9.244 0.366 1.00 89.83 O +ATOM 58 N GLY A 10 1.921 -10.391 2.008 1.00 93.87 N +ATOM 59 CA GLY A 10 3.212 -11.005 1.852 1.00 92.77 C +ATOM 60 C GLY A 10 3.660 -11.726 3.101 1.00 92.91 C +ATOM 61 O GLY A 10 2.919 -11.841 4.077 1.00 91.46 O +ATOM 62 N GLU A 11 4.901 -12.201 3.059 1.00 89.85 N +ATOM 63 CA GLU A 11 5.451 -12.951 4.177 1.00 91.04 C +ATOM 64 C GLU A 11 5.579 -12.120 5.448 1.00 90.23 C +ATOM 65 O GLU A 11 5.773 -12.678 6.532 1.00 86.48 O +ATOM 66 CB GLU A 11 6.808 -13.532 3.791 1.00 88.46 C +ATOM 67 CG GLU A 11 7.880 -12.482 3.549 1.00 81.99 C +ATOM 68 CD GLU A 11 9.188 -13.085 3.039 1.00 75.84 C +ATOM 69 OE1 GLU A 11 9.388 -14.300 3.212 1.00 70.79 O +ATOM 70 OE2 GLU A 11 9.994 -12.340 2.463 1.00 72.20 O +ATOM 71 N HIS A 12 5.489 -10.819 5.331 1.00 91.46 N +ATOM 72 CA HIS A 12 5.593 -9.954 6.496 1.00 91.99 C +ATOM 73 C HIS A 12 4.251 -9.650 7.150 1.00 91.86 C +ATOM 74 O HIS A 12 4.188 -8.875 8.106 1.00 88.29 O +ATOM 75 CB HIS A 12 6.296 -8.649 6.106 1.00 89.86 C +ATOM 76 CG HIS A 12 7.692 -8.868 5.606 1.00 87.74 C +ATOM 77 ND1 HIS A 12 8.715 -9.296 6.421 1.00 83.87 N +ATOM 78 CD2 HIS A 12 8.212 -8.756 4.363 1.00 79.37 C +ATOM 79 CE1 HIS A 12 9.816 -9.439 5.693 1.00 81.58 C +ATOM 80 NE2 HIS A 12 9.538 -9.114 4.445 1.00 82.59 N +ATOM 81 N GLY A 13 3.189 -10.239 6.644 1.00 93.61 N +ATOM 82 CA GLY A 13 1.900 -10.055 7.265 1.00 93.12 C +ATOM 83 C GLY A 13 0.789 -9.668 6.313 1.00 93.93 C +ATOM 84 O GLY A 13 0.928 -9.785 5.099 1.00 93.42 O +ATOM 85 N PRO A 14 -0.318 -9.225 6.875 1.00 94.74 N +ATOM 86 CA PRO A 14 -1.485 -8.852 6.085 1.00 94.78 C +ATOM 87 C PRO A 14 -1.269 -7.567 5.309 1.00 94.80 C +ATOM 88 O PRO A 14 -0.234 -6.912 5.437 1.00 93.45 O +ATOM 89 CB PRO A 14 -2.584 -8.714 7.134 1.00 93.05 C +ATOM 90 CG PRO A 14 -1.844 -8.233 8.335 1.00 91.58 C +ATOM 91 CD PRO A 14 -0.567 -9.026 8.310 1.00 93.28 C +HETATM 92 N HYP A 15 -2.297 -7.222 4.523 1.00 94.48 N +HETATM 93 CA HYP A 15 -2.209 -6.014 3.755 1.00 92.47 C +HETATM 94 C HYP A 15 -1.933 -4.820 4.646 1.00 94.88 C +HETATM 95 O HYP A 15 -2.414 -4.772 5.807 1.00 94.06 O +HETATM 96 CB HYP A 15 -3.614 -5.866 3.132 1.00 90.78 C +HETATM 97 CG HYP A 15 -4.133 -7.275 3.063 1.00 89.04 C +HETATM 98 CD HYP A 15 -3.569 -7.920 4.324 1.00 92.48 C +HETATM 99 OD1 HYP A 15 -3.619 -7.891 1.941 1.00 89.85 O +ATOM 100 N GLY A 16 -1.153 -3.921 4.134 1.00 95.21 N +ATOM 101 CA GLY A 16 -0.849 -2.735 4.878 1.00 94.97 C +ATOM 102 C GLY A 16 -2.059 -1.827 4.937 1.00 95.20 C +ATOM 103 O GLY A 16 -3.080 -2.084 4.285 1.00 94.73 O +ATOM 104 N PRO A 17 -1.964 -0.757 5.711 1.00 93.31 N +ATOM 105 CA PRO A 17 -3.075 0.177 5.824 1.00 93.38 C +ATOM 106 C PRO A 17 -3.251 0.989 4.549 1.00 93.71 C +ATOM 107 O PRO A 17 -2.361 1.043 3.705 1.00 92.64 O +ATOM 108 CB PRO A 17 -2.674 1.052 7.006 1.00 91.75 C +ATOM 109 CG PRO A 17 -1.188 1.043 6.946 1.00 90.24 C +ATOM 110 CD PRO A 17 -0.835 -0.364 6.553 1.00 92.34 C +HETATM 111 N HYP A 18 -4.423 1.602 4.406 1.00 92.77 N +HETATM 112 CA HYP A 18 -4.643 2.464 3.318 1.00 91.55 C +HETATM 113 C HYP A 18 -3.658 3.589 3.252 1.00 92.48 C +HETATM 114 O HYP A 18 -3.193 4.058 4.325 1.00 92.29 O +HETATM 115 CB HYP A 18 -6.082 3.002 3.589 1.00 89.70 C +HETATM 116 CG HYP A 18 -6.736 1.909 4.397 1.00 89.68 C +HETATM 117 CD HYP A 18 -5.582 1.412 5.268 1.00 92.73 C +HETATM 118 OD1 HYP A 18 -7.157 0.884 3.533 1.00 88.73 O +ATOM 119 N GLY A 19 -3.282 3.971 2.082 1.00 91.22 N +ATOM 120 CA GLY A 19 -2.353 5.052 1.911 1.00 90.95 C +ATOM 121 C GLY A 19 -2.979 6.351 2.362 1.00 91.42 C +ATOM 122 O GLY A 19 -4.170 6.419 2.663 1.00 92.10 O +ATOM 123 N PRO A 20 -2.176 7.402 2.421 1.00 89.60 N +ATOM 124 CA PRO A 20 -2.686 8.694 2.855 1.00 90.39 C +ATOM 125 C PRO A 20 -3.604 9.323 1.828 1.00 90.22 C +ATOM 126 O PRO A 20 -3.578 8.980 0.652 1.00 90.11 O +ATOM 127 CB PRO A 20 -1.413 9.516 3.049 1.00 87.93 C +ATOM 128 CG PRO A 20 -0.487 8.943 2.028 1.00 85.26 C +ATOM 129 CD PRO A 20 -0.752 7.463 2.096 1.00 88.65 C +HETATM 130 N HYP A 21 -4.432 10.225 2.295 1.00 91.05 N +HETATM 131 CA HYP A 21 -5.266 10.959 1.401 1.00 89.88 C +HETATM 132 C HYP A 21 -4.495 11.763 0.378 1.00 91.79 C +HETATM 133 O HYP A 21 -3.386 12.218 0.698 1.00 93.76 O +HETATM 134 CB HYP A 21 -6.044 11.930 2.339 1.00 88.62 C +HETATM 135 CG HYP A 21 -6.006 11.260 3.708 1.00 86.10 C +HETATM 136 CD HYP A 21 -4.654 10.573 3.717 1.00 90.41 C +HETATM 137 OD1 HYP A 21 -7.016 10.259 3.759 1.00 87.74 O +ATOM 138 N GLY A 22 -4.988 11.853 -0.796 1.00 89.42 N +ATOM 139 CA GLY A 22 -4.352 12.650 -1.799 1.00 87.95 C +ATOM 140 C GLY A 22 -4.567 14.117 -1.472 1.00 87.90 C +ATOM 141 O GLY A 22 -5.185 14.459 -0.462 1.00 87.98 O +ATOM 142 N PRO A 23 -4.097 15.020 -2.331 1.00 92.64 N +ATOM 143 CA PRO A 23 -4.296 16.448 -2.104 1.00 92.35 C +ATOM 144 C PRO A 23 -5.776 16.772 -2.057 1.00 90.94 C +ATOM 145 O PRO A 23 -6.591 16.062 -2.629 1.00 87.17 O +ATOM 146 CB PRO A 23 -3.628 17.097 -3.311 1.00 89.29 C +ATOM 147 CG PRO A 23 -2.632 16.082 -3.749 1.00 87.80 C +ATOM 148 CD PRO A 23 -3.311 14.772 -3.533 1.00 91.29 C +HETATM 149 N HYP A 24 -6.154 17.805 -1.403 1.00 94.05 N +HETATM 150 CA HYP A 24 -7.589 18.067 -1.402 1.00 85.84 C +HETATM 151 C HYP A 24 -8.252 17.508 -2.581 1.00 91.88 C +HETATM 152 O HYP A 24 -8.633 18.207 -3.483 1.00 87.16 O +HETATM 153 CB HYP A 24 -7.744 19.507 -1.103 1.00 87.87 C +HETATM 154 CG HYP A 24 -6.422 19.944 -0.476 1.00 87.42 C +HETATM 155 CD HYP A 24 -5.378 18.933 -0.981 1.00 91.00 C +HETATM 156 OD1 HYP A 24 -6.478 19.826 0.944 1.00 86.61 O +HETATM 157 OXT HYP A 24 -8.532 16.308 -2.565 1.00 84.81 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_267.txt b/protein_pdb_267.txt new file mode 100644 index 0000000000000000000000000000000000000000..cfd8f59b900286a5d2d155a1ba0b3aab0dcf7836 --- /dev/null +++ b/protein_pdb_267.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -4.818 -28.635 20.375 1.00 83.90 N +ATOM 2 CA GLY A 1 -5.344 -28.616 19.014 1.00 86.92 C +ATOM 3 C GLY A 1 -4.507 -27.734 18.110 1.00 86.84 C +ATOM 4 O GLY A 1 -3.639 -26.997 18.592 1.00 84.34 O +ATOM 5 N PRO A 2 -4.736 -27.769 16.813 1.00 85.52 N +ATOM 6 CA PRO A 2 -3.970 -26.953 15.879 1.00 88.28 C +ATOM 7 C PRO A 2 -4.318 -25.477 15.998 1.00 88.00 C +ATOM 8 O PRO A 2 -5.393 -25.127 16.467 1.00 87.46 O +ATOM 9 CB PRO A 2 -4.354 -27.515 14.507 1.00 85.47 C +ATOM 10 CG PRO A 2 -5.739 -28.010 14.725 1.00 80.86 C +ATOM 11 CD PRO A 2 -5.723 -28.592 16.124 1.00 82.38 C +HETATM 12 N HYP A 3 -3.472 -24.710 15.636 1.00 86.37 N +HETATM 13 CA HYP A 3 -3.687 -23.200 15.553 1.00 84.96 C +HETATM 14 C HYP A 3 -4.849 -22.855 14.640 1.00 84.98 C +HETATM 15 O HYP A 3 -5.116 -23.577 13.661 1.00 87.10 O +HETATM 16 CB HYP A 3 -2.348 -22.716 14.966 1.00 83.24 C +HETATM 17 CG HYP A 3 -1.321 -23.807 15.327 1.00 80.07 C +HETATM 18 CD HYP A 3 -2.134 -25.115 15.189 1.00 83.91 C +HETATM 19 OD1 HYP A 3 -0.883 -23.676 16.653 1.00 86.18 O +ATOM 20 N GLY A 4 -5.538 -21.771 14.947 1.00 89.52 N +ATOM 21 CA GLY A 4 -6.624 -21.316 14.122 1.00 88.67 C +ATOM 22 C GLY A 4 -6.105 -20.740 12.811 1.00 88.64 C +ATOM 23 O GLY A 4 -4.900 -20.537 12.641 1.00 88.09 O +ATOM 24 N PRO A 5 -7.006 -20.445 11.880 1.00 89.14 N +ATOM 25 CA PRO A 5 -6.592 -19.891 10.586 1.00 89.69 C +ATOM 26 C PRO A 5 -6.115 -18.455 10.725 1.00 89.60 C +ATOM 27 O PRO A 5 -6.466 -17.759 11.669 1.00 89.15 O +ATOM 28 CB PRO A 5 -7.860 -19.987 9.744 1.00 87.23 C +ATOM 29 CG PRO A 5 -8.952 -19.876 10.754 1.00 84.84 C +ATOM 30 CD PRO A 5 -8.445 -20.646 11.948 1.00 87.25 C +HETATM 31 N HYP A 6 -5.319 -18.043 9.800 1.00 86.68 N +HETATM 32 CA HYP A 6 -4.875 -16.591 9.750 1.00 90.36 C +HETATM 33 C HYP A 6 -6.033 -15.678 9.547 1.00 86.15 C +HETATM 34 O HYP A 6 -7.037 -16.022 8.899 1.00 85.42 O +HETATM 35 CB HYP A 6 -3.961 -16.644 8.486 1.00 81.91 C +HETATM 36 CG HYP A 6 -3.460 -18.102 8.365 1.00 81.08 C +HETATM 37 CD HYP A 6 -4.676 -18.884 8.796 1.00 84.85 C +HETATM 38 OD1 HYP A 6 -2.371 -18.348 9.236 1.00 85.05 O +ATOM 39 N GLY A 7 -5.938 -14.448 10.110 1.00 90.82 N +ATOM 40 CA GLY A 7 -6.961 -13.447 9.955 1.00 89.76 C +ATOM 41 C GLY A 7 -6.995 -12.905 8.534 1.00 89.83 C +ATOM 42 O GLY A 7 -6.112 -13.201 7.728 1.00 89.04 O +ATOM 43 N PRO A 8 -8.001 -12.096 8.224 1.00 89.34 N +ATOM 44 CA PRO A 8 -8.113 -11.534 6.877 1.00 89.47 C +ATOM 45 C PRO A 8 -7.070 -10.451 6.627 1.00 89.03 C +ATOM 46 O PRO A 8 -6.531 -9.864 7.562 1.00 87.19 O +ATOM 47 CB PRO A 8 -9.526 -10.967 6.847 1.00 86.87 C +ATOM 48 CG PRO A 8 -9.771 -10.591 8.273 1.00 86.78 C +ATOM 49 CD PRO A 8 -9.107 -11.690 9.072 1.00 89.22 C +HETATM 50 N HYP A 9 -6.794 -10.183 5.377 1.00 86.37 N +HETATM 51 CA HYP A 9 -5.888 -9.078 4.998 1.00 88.29 C +HETATM 52 C HYP A 9 -6.426 -7.772 5.390 1.00 86.75 C +HETATM 53 O HYP A 9 -7.651 -7.541 5.380 1.00 84.37 O +HETATM 54 CB HYP A 9 -5.846 -9.258 3.441 1.00 85.07 C +HETATM 55 CG HYP A 9 -6.203 -10.700 3.167 1.00 82.17 C +HETATM 56 CD HYP A 9 -7.183 -11.007 4.240 1.00 85.66 C +HETATM 57 OD1 HYP A 9 -5.072 -11.540 3.316 1.00 82.37 O +ATOM 58 N GLY A 10 -5.545 -6.798 5.739 1.00 87.54 N +ATOM 59 CA GLY A 10 -5.952 -5.460 6.106 1.00 85.40 C +ATOM 60 C GLY A 10 -6.482 -4.691 4.910 1.00 85.58 C +ATOM 61 O GLY A 10 -6.322 -5.097 3.757 1.00 83.44 O +ATOM 62 N LEU A 11 -7.111 -3.554 5.186 1.00 86.19 N +ATOM 63 CA LEU A 11 -7.650 -2.703 4.136 1.00 87.37 C +ATOM 64 C LEU A 11 -6.533 -1.942 3.439 1.00 87.12 C +ATOM 65 O LEU A 11 -5.512 -1.619 4.039 1.00 85.01 O +ATOM 66 CB LEU A 11 -8.648 -1.703 4.715 1.00 84.85 C +ATOM 67 CG LEU A 11 -9.897 -2.287 5.359 1.00 79.09 C +ATOM 68 CD1 LEU A 11 -10.729 -1.166 5.961 1.00 76.87 C +ATOM 69 CD2 LEU A 11 -10.712 -3.071 4.346 1.00 73.80 C +ATOM 70 N ALA A 12 -6.746 -1.643 2.158 1.00 82.14 N +ATOM 71 CA ALA A 12 -5.783 -0.845 1.419 1.00 82.95 C +ATOM 72 C ALA A 12 -5.754 0.559 2.001 1.00 83.95 C +ATOM 73 O ALA A 12 -6.778 1.070 2.467 1.00 78.57 O +ATOM 74 CB ALA A 12 -6.152 -0.796 -0.060 1.00 78.62 C +ATOM 75 N GLY A 13 -4.574 1.169 1.988 1.00 84.49 N +ATOM 76 CA GLY A 13 -4.441 2.515 2.517 1.00 83.36 C +ATOM 77 C GLY A 13 -5.063 3.565 1.621 1.00 83.53 C +ATOM 78 O GLY A 13 -5.512 3.267 0.511 1.00 84.24 O +ATOM 79 N PRO A 14 -5.098 4.821 2.084 1.00 82.52 N +ATOM 80 CA PRO A 14 -5.681 5.907 1.310 1.00 84.85 C +ATOM 81 C PRO A 14 -4.781 6.309 0.140 1.00 84.54 C +ATOM 82 O PRO A 14 -3.612 5.940 0.092 1.00 85.20 O +ATOM 83 CB PRO A 14 -5.801 7.041 2.320 1.00 83.09 C +ATOM 84 CG PRO A 14 -4.664 6.784 3.253 1.00 80.38 C +ATOM 85 CD PRO A 14 -4.621 5.281 3.389 1.00 80.22 C +HETATM 86 N HYP A 15 -5.328 7.089 -0.828 1.00 79.77 N +HETATM 87 CA HYP A 15 -4.558 7.619 -1.914 1.00 81.08 C +HETATM 88 C HYP A 15 -3.361 8.440 -1.465 1.00 83.07 C +HETATM 89 O HYP A 15 -3.433 9.031 -0.356 1.00 79.41 O +HETATM 90 CB HYP A 15 -5.573 8.474 -2.671 1.00 80.66 C +HETATM 91 CG HYP A 15 -6.874 7.793 -2.364 1.00 76.38 C +HETATM 92 CD HYP A 15 -6.698 7.379 -0.953 1.00 81.03 C +HETATM 93 OD1 HYP A 15 -7.074 6.677 -3.180 1.00 81.18 O +ATOM 94 N GLY A 16 -2.322 8.453 -2.190 1.00 89.41 N +ATOM 95 CA GLY A 16 -1.153 9.215 -1.838 1.00 87.76 C +ATOM 96 C GLY A 16 -1.410 10.710 -1.926 1.00 87.52 C +ATOM 97 O GLY A 16 -2.455 11.144 -2.412 1.00 88.08 O +ATOM 98 N PRO A 17 -0.436 11.520 -1.463 1.00 78.60 N +ATOM 99 CA PRO A 17 -0.585 12.973 -1.502 1.00 80.08 C +ATOM 100 C PRO A 17 -0.480 13.510 -2.917 1.00 79.73 C +ATOM 101 O PRO A 17 0.048 12.855 -3.809 1.00 81.86 O +ATOM 102 CB PRO A 17 0.565 13.466 -0.628 1.00 78.80 C +ATOM 103 CG PRO A 17 1.606 12.413 -0.799 1.00 76.90 C +ATOM 104 CD PRO A 17 0.834 11.119 -0.852 1.00 75.97 C +HETATM 105 N HYP A 18 -0.968 14.705 -3.171 1.00 80.46 N +HETATM 106 CA HYP A 18 -0.831 15.387 -4.424 1.00 86.39 C +HETATM 107 C HYP A 18 0.601 15.605 -4.850 1.00 81.36 C +HETATM 108 O HYP A 18 1.485 15.749 -3.987 1.00 85.79 O +HETATM 109 CB HYP A 18 -1.542 16.706 -4.147 1.00 81.08 C +HETATM 110 CG HYP A 18 -2.557 16.391 -3.071 1.00 78.88 C +HETATM 111 CD HYP A 18 -1.813 15.393 -2.246 1.00 82.41 C +HETATM 112 OD1 HYP A 18 -3.713 15.785 -3.606 1.00 83.99 O +ATOM 113 N GLY A 19 0.873 15.605 -6.120 1.00 86.81 N +ATOM 114 CA GLY A 19 2.198 15.813 -6.640 1.00 85.97 C +ATOM 115 C GLY A 19 2.684 17.228 -6.390 1.00 86.23 C +ATOM 116 O GLY A 19 1.933 18.078 -5.912 1.00 85.63 O +ATOM 117 N PRO A 20 3.941 17.497 -6.726 1.00 79.11 N +ATOM 118 CA PRO A 20 4.515 18.821 -6.503 1.00 79.88 C +ATOM 119 C PRO A 20 3.954 19.846 -7.480 1.00 79.53 C +ATOM 120 O PRO A 20 3.411 19.501 -8.516 1.00 78.51 O +ATOM 121 CB PRO A 20 6.013 18.596 -6.726 1.00 76.75 C +ATOM 122 CG PRO A 20 6.044 17.480 -7.710 1.00 74.84 C +ATOM 123 CD PRO A 20 4.922 16.568 -7.294 1.00 75.71 C +HETATM 124 N HYP A 21 4.068 21.112 -7.164 1.00 86.58 N +HETATM 125 CA HYP A 21 3.682 22.209 -8.039 1.00 85.85 C +HETATM 126 C HYP A 21 4.430 22.250 -9.355 1.00 85.19 C +HETATM 127 O HYP A 21 5.619 21.886 -9.401 1.00 88.22 O +HETATM 128 CB HYP A 21 4.086 23.447 -7.175 1.00 85.46 C +HETATM 129 CG HYP A 21 4.066 22.974 -5.735 1.00 80.40 C +HETATM 130 CD HYP A 21 4.550 21.552 -5.864 1.00 84.51 C +HETATM 131 OD1 HYP A 21 2.737 22.943 -5.211 1.00 85.37 O +ATOM 132 N GLY A 22 3.778 22.611 -10.422 1.00 84.54 N +ATOM 133 CA GLY A 22 4.402 22.730 -11.712 1.00 83.86 C +ATOM 134 C GLY A 22 5.370 23.903 -11.736 1.00 84.14 C +ATOM 135 O GLY A 22 5.453 24.675 -10.778 1.00 82.47 O +ATOM 136 N PRO A 23 6.089 24.096 -12.846 1.00 83.54 N +ATOM 137 CA PRO A 23 7.045 25.194 -12.937 1.00 84.96 C +ATOM 138 C PRO A 23 6.320 26.524 -13.042 1.00 83.94 C +ATOM 139 O PRO A 23 5.182 26.596 -13.489 1.00 80.24 O +ATOM 140 CB PRO A 23 7.843 24.868 -14.196 1.00 80.16 C +ATOM 141 CG PRO A 23 6.877 24.100 -15.024 1.00 76.86 C +ATOM 142 CD PRO A 23 6.097 23.261 -14.036 1.00 78.44 C +HETATM 143 N HYP A 24 6.971 27.641 -12.682 1.00 84.66 N +HETATM 144 CA HYP A 24 6.276 28.929 -12.829 1.00 83.23 C +HETATM 145 C HYP A 24 6.261 29.241 -14.336 1.00 82.06 C +HETATM 146 O HYP A 24 5.420 29.964 -14.749 1.00 82.73 O +HETATM 147 CB HYP A 24 7.290 29.941 -12.190 1.00 83.64 C +HETATM 148 CG HYP A 24 8.177 29.169 -11.280 1.00 82.03 C +HETATM 149 CD HYP A 24 8.239 27.765 -11.939 1.00 84.89 C +HETATM 150 OD1 HYP A 24 7.568 29.041 -10.020 1.00 79.88 O +HETATM 151 OXT HYP A 24 7.153 28.757 -15.054 1.00 80.47 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_268.txt b/protein_pdb_268.txt new file mode 100644 index 0000000000000000000000000000000000000000..825540a035999ead1925044dedb5c4e810a66ace --- /dev/null +++ b/protein_pdb_268.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -10.152 12.917 0.758 1.00 79.14 N +ATOM 2 CA GLY A 1 -10.692 11.706 0.163 1.00 81.20 C +ATOM 3 C GLY A 1 -10.399 10.498 1.014 1.00 82.60 C +ATOM 4 O GLY A 1 -9.777 10.618 2.071 1.00 79.17 O +ATOM 5 N PRO A 2 -10.804 9.333 0.561 1.00 81.51 N +ATOM 6 CA PRO A 2 -10.601 8.117 1.340 1.00 83.77 C +ATOM 7 C PRO A 2 -9.148 7.683 1.349 1.00 84.41 C +ATOM 8 O PRO A 2 -8.354 8.091 0.512 1.00 81.26 O +ATOM 9 CB PRO A 2 -11.476 7.093 0.630 1.00 80.22 C +ATOM 10 CG PRO A 2 -11.527 7.572 -0.775 1.00 76.66 C +ATOM 11 CD PRO A 2 -11.510 9.076 -0.694 1.00 75.90 C +HETATM 12 N HYP A 3 -8.839 6.891 2.307 1.00 82.27 N +HETATM 13 CA HYP A 3 -7.500 6.278 2.374 1.00 81.45 C +HETATM 14 C HYP A 3 -7.208 5.443 1.134 1.00 85.47 C +HETATM 15 O HYP A 3 -8.141 4.891 0.507 1.00 86.76 O +HETATM 16 CB HYP A 3 -7.635 5.334 3.613 1.00 82.91 C +HETATM 17 CG HYP A 3 -8.711 5.993 4.474 1.00 78.96 C +HETATM 18 CD HYP A 3 -9.696 6.536 3.410 1.00 83.59 C +HETATM 19 OD1 HYP A 3 -8.129 7.077 5.161 1.00 82.11 O +ATOM 20 N GLY A 4 -5.961 5.427 0.760 1.00 87.74 N +ATOM 21 CA GLY A 4 -5.550 4.608 -0.350 1.00 87.45 C +ATOM 22 C GLY A 4 -5.637 3.134 -0.018 1.00 87.52 C +ATOM 23 O GLY A 4 -5.862 2.748 1.126 1.00 87.04 O +ATOM 24 N PRO A 5 -5.458 2.304 -1.032 1.00 85.41 N +ATOM 25 CA PRO A 5 -5.513 0.865 -0.808 1.00 84.97 C +ATOM 26 C PRO A 5 -4.287 0.369 -0.058 1.00 84.80 C +ATOM 27 O PRO A 5 -3.268 1.052 0.010 1.00 83.11 O +ATOM 28 CB PRO A 5 -5.564 0.301 -2.222 1.00 82.92 C +ATOM 29 CG PRO A 5 -4.848 1.313 -3.040 1.00 81.34 C +ATOM 30 CD PRO A 5 -5.173 2.642 -2.421 1.00 82.07 C +HETATM 31 N HYP A 6 -4.439 -0.833 0.495 1.00 85.17 N +HETATM 32 CA HYP A 6 -3.283 -1.467 1.118 1.00 89.65 C +HETATM 33 C HYP A 6 -2.155 -1.646 0.149 1.00 87.89 C +HETATM 34 O HYP A 6 -2.390 -1.848 -1.076 1.00 87.89 O +HETATM 35 CB HYP A 6 -3.875 -2.827 1.569 1.00 82.30 C +HETATM 36 CG HYP A 6 -5.356 -2.565 1.755 1.00 82.29 C +HETATM 37 CD HYP A 6 -5.661 -1.610 0.620 1.00 85.24 C +HETATM 38 OD1 HYP A 6 -5.575 -1.920 2.988 1.00 83.44 O +ATOM 39 N GLY A 7 -0.952 -1.524 0.623 1.00 88.01 N +ATOM 40 CA GLY A 7 0.206 -1.741 -0.200 1.00 86.66 C +ATOM 41 C GLY A 7 0.323 -3.192 -0.632 1.00 86.80 C +ATOM 42 O GLY A 7 -0.390 -4.067 -0.143 1.00 85.30 O +ATOM 43 N PRO A 8 1.223 -3.440 -1.556 1.00 86.00 N +ATOM 44 CA PRO A 8 1.406 -4.801 -2.036 1.00 85.56 C +ATOM 45 C PRO A 8 2.114 -5.663 -1.005 1.00 85.51 C +ATOM 46 O PRO A 8 2.799 -5.171 -0.119 1.00 82.69 O +ATOM 47 CB PRO A 8 2.250 -4.624 -3.295 1.00 82.48 C +ATOM 48 CG PRO A 8 3.016 -3.386 -3.035 1.00 81.53 C +ATOM 49 CD PRO A 8 2.120 -2.495 -2.229 1.00 82.38 C +HETATM 50 N HYP A 9 1.930 -6.990 -1.171 1.00 81.38 N +HETATM 51 CA HYP A 9 2.624 -7.904 -0.339 1.00 85.09 C +HETATM 52 C HYP A 9 4.112 -7.869 -0.548 1.00 83.39 C +HETATM 53 O HYP A 9 4.577 -7.667 -1.691 1.00 84.85 O +HETATM 54 CB HYP A 9 2.117 -9.294 -0.838 1.00 77.63 C +HETATM 55 CG HYP A 9 0.803 -9.040 -1.461 1.00 75.79 C +HETATM 56 CD HYP A 9 0.956 -7.664 -2.062 1.00 82.67 C +HETATM 57 OD1 HYP A 9 -0.179 -8.983 -0.433 1.00 74.17 O +ATOM 58 N GLY A 10 4.904 -7.974 0.460 1.00 84.00 N +ATOM 59 CA GLY A 10 6.327 -8.139 0.319 1.00 81.15 C +ATOM 60 C GLY A 10 6.652 -9.581 -0.020 1.00 81.54 C +ATOM 61 O GLY A 10 5.767 -10.414 -0.206 1.00 78.49 O +ATOM 62 N ILE A 11 7.938 -9.885 -0.080 1.00 86.36 N +ATOM 63 CA ILE A 11 8.312 -11.271 -0.311 1.00 88.38 C +ATOM 64 C ILE A 11 7.834 -12.151 0.843 1.00 87.57 C +ATOM 65 O ILE A 11 7.622 -13.345 0.669 1.00 84.83 O +ATOM 66 CB ILE A 11 9.822 -11.424 -0.556 1.00 87.84 C +ATOM 67 CG1 ILE A 11 10.629 -10.870 0.611 1.00 84.60 C +ATOM 68 CG2 ILE A 11 10.206 -10.748 -1.859 1.00 82.39 C +ATOM 69 CD1 ILE A 11 12.124 -11.172 0.484 1.00 78.08 C +ATOM 70 N VAL A 12 7.667 -11.540 1.985 1.00 83.14 N +ATOM 71 CA VAL A 12 7.038 -12.178 3.129 1.00 85.48 C +ATOM 72 C VAL A 12 6.259 -11.090 3.856 1.00 85.24 C +ATOM 73 O VAL A 12 6.756 -9.970 4.016 1.00 80.82 O +ATOM 74 CB VAL A 12 8.073 -12.864 4.059 1.00 81.28 C +ATOM 75 CG1 VAL A 12 9.052 -11.859 4.642 1.00 73.41 C +ATOM 76 CG2 VAL A 12 7.365 -13.623 5.181 1.00 74.37 C +ATOM 77 N GLY A 13 5.055 -11.399 4.257 1.00 89.26 N +ATOM 78 CA GLY A 13 4.276 -10.451 5.021 1.00 88.40 C +ATOM 79 C GLY A 13 3.049 -9.956 4.289 1.00 89.11 C +ATOM 80 O GLY A 13 2.902 -10.137 3.080 1.00 89.16 O +ATOM 81 N PRO A 14 2.156 -9.353 5.035 1.00 88.83 N +ATOM 82 CA PRO A 14 0.877 -8.918 4.507 1.00 88.27 C +ATOM 83 C PRO A 14 0.983 -7.628 3.707 1.00 88.92 C +ATOM 84 O PRO A 14 2.034 -6.994 3.651 1.00 87.01 O +ATOM 85 CB PRO A 14 0.049 -8.700 5.770 1.00 86.22 C +ATOM 86 CG PRO A 14 1.056 -8.252 6.769 1.00 86.01 C +ATOM 87 CD PRO A 14 2.299 -9.039 6.460 1.00 86.04 C +HETATM 88 N HYP A 15 -0.149 -7.298 3.112 1.00 87.88 N +HETATM 89 CA HYP A 15 -0.232 -6.010 2.446 1.00 90.25 C +HETATM 90 C HYP A 15 0.097 -4.891 3.376 1.00 90.85 C +HETATM 91 O HYP A 15 -0.126 -5.010 4.608 1.00 88.33 O +HETATM 92 CB HYP A 15 -1.738 -5.982 2.061 1.00 85.77 C +HETATM 93 CG HYP A 15 -2.145 -7.430 1.927 1.00 82.84 C +HETATM 94 CD HYP A 15 -1.365 -8.115 3.030 1.00 86.67 C +HETATM 95 OD1 HYP A 15 -1.737 -7.911 0.686 1.00 84.62 O +ATOM 96 N GLY A 16 0.654 -3.851 2.850 1.00 92.04 N +ATOM 97 CA GLY A 16 0.942 -2.698 3.652 1.00 91.19 C +ATOM 98 C GLY A 16 -0.323 -2.007 4.111 1.00 91.93 C +ATOM 99 O GLY A 16 -1.432 -2.375 3.721 1.00 91.64 O +ATOM 100 N PRO A 17 -0.149 -0.996 4.953 1.00 90.52 N +ATOM 101 CA PRO A 17 -1.307 -0.267 5.447 1.00 89.56 C +ATOM 102 C PRO A 17 -1.937 0.584 4.357 1.00 90.42 C +ATOM 103 O PRO A 17 -1.332 0.845 3.322 1.00 88.84 O +ATOM 104 CB PRO A 17 -0.724 0.597 6.561 1.00 87.79 C +ATOM 105 CG PRO A 17 0.695 0.775 6.182 1.00 87.65 C +ATOM 106 CD PRO A 17 1.109 -0.482 5.483 1.00 88.16 C +HETATM 107 N HYP A 18 -3.187 0.992 4.597 1.00 84.55 N +HETATM 108 CA HYP A 18 -3.818 1.897 3.716 1.00 90.87 C +HETATM 109 C HYP A 18 -3.043 3.163 3.500 1.00 88.85 C +HETATM 110 O HYP A 18 -2.347 3.625 4.443 1.00 89.20 O +HETATM 111 CB HYP A 18 -5.158 2.178 4.419 1.00 85.48 C +HETATM 112 CG HYP A 18 -5.426 0.924 5.236 1.00 83.74 C +HETATM 113 CD HYP A 18 -4.038 0.559 5.693 1.00 88.38 C +HETATM 114 OD1 HYP A 18 -5.935 -0.094 4.397 1.00 85.42 O +ATOM 115 N GLY A 19 -3.084 3.682 2.328 1.00 88.92 N +ATOM 116 CA GLY A 19 -2.442 4.931 2.045 1.00 88.66 C +ATOM 117 C GLY A 19 -3.075 6.069 2.819 1.00 89.22 C +ATOM 118 O GLY A 19 -4.102 5.906 3.470 1.00 89.24 O +ATOM 119 N PRO A 20 -2.452 7.224 2.742 1.00 80.61 N +ATOM 120 CA PRO A 20 -2.975 8.371 3.467 1.00 80.48 C +ATOM 121 C PRO A 20 -4.271 8.878 2.858 1.00 80.71 C +ATOM 122 O PRO A 20 -4.567 8.619 1.695 1.00 80.09 O +ATOM 123 CB PRO A 20 -1.863 9.402 3.333 1.00 78.03 C +ATOM 124 CG PRO A 20 -1.187 9.042 2.059 1.00 75.77 C +ATOM 125 CD PRO A 20 -1.252 7.548 1.975 1.00 75.67 C +HETATM 126 N HYP A 21 -5.014 9.579 3.659 1.00 86.16 N +HETATM 127 CA HYP A 21 -6.194 10.214 3.175 1.00 86.19 C +HETATM 128 C HYP A 21 -5.946 11.213 2.070 1.00 84.99 C +HETATM 129 O HYP A 21 -4.884 11.851 2.074 1.00 88.01 O +HETATM 130 CB HYP A 21 -6.755 10.959 4.409 1.00 83.08 C +HETATM 131 CG HYP A 21 -6.199 10.186 5.597 1.00 80.83 C +HETATM 132 CD HYP A 21 -4.835 9.770 5.113 1.00 87.24 C +HETATM 133 OD1 HYP A 21 -6.979 9.005 5.792 1.00 82.86 O +ATOM 134 N GLY A 22 -6.764 11.231 1.104 1.00 85.64 N +ATOM 135 CA GLY A 22 -6.665 12.241 0.088 1.00 83.28 C +ATOM 136 C GLY A 22 -7.051 13.598 0.646 1.00 82.70 C +ATOM 137 O GLY A 22 -7.354 13.735 1.828 1.00 81.92 O +ATOM 138 N PRO A 23 -7.061 14.616 -0.199 1.00 86.33 N +ATOM 139 CA PRO A 23 -7.482 15.938 0.251 1.00 86.18 C +ATOM 140 C PRO A 23 -8.913 15.914 0.742 1.00 85.14 C +ATOM 141 O PRO A 23 -9.688 15.043 0.375 1.00 81.29 O +ATOM 142 CB PRO A 23 -7.340 16.804 -1.000 1.00 82.06 C +ATOM 143 CG PRO A 23 -6.445 16.040 -1.888 1.00 79.75 C +ATOM 144 CD PRO A 23 -6.692 14.598 -1.600 1.00 81.22 C +HETATM 145 N HYP A 24 -9.293 16.835 1.533 1.00 86.59 N +HETATM 146 CA HYP A 24 -10.654 16.780 2.006 1.00 84.21 C +HETATM 147 C HYP A 24 -11.531 15.982 1.188 1.00 83.66 C +HETATM 148 O HYP A 24 -12.176 16.556 0.313 1.00 78.37 O +HETATM 149 CB HYP A 24 -10.961 18.119 2.541 1.00 81.96 C +HETATM 150 CG HYP A 24 -9.606 18.772 2.785 1.00 82.18 C +HETATM 151 CD HYP A 24 -8.660 18.094 1.792 1.00 85.17 C +HETATM 152 OD1 HYP A 24 -9.131 18.472 4.105 1.00 80.80 O +HETATM 153 OXT HYP A 24 -11.532 14.756 1.454 1.00 77.27 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_269.txt b/protein_pdb_269.txt new file mode 100644 index 0000000000000000000000000000000000000000..7d8bce3c32a1c49f1b905a2600409695b1c14a55 --- /dev/null +++ b/protein_pdb_269.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 8.795 -8.162 -8.691 1.00 84.64 N +ATOM 2 CA GLY A 1 8.212 -6.989 -9.318 1.00 85.71 C +ATOM 3 C GLY A 1 8.268 -5.798 -8.397 1.00 86.60 C +ATOM 4 O GLY A 1 8.775 -5.892 -7.281 1.00 83.14 O +ATOM 5 N PRO A 2 7.740 -4.678 -8.840 1.00 86.84 N +ATOM 6 CA PRO A 2 7.781 -3.470 -8.037 1.00 87.75 C +ATOM 7 C PRO A 2 6.870 -3.557 -6.825 1.00 88.43 C +ATOM 8 O PRO A 2 5.971 -4.385 -6.759 1.00 85.79 O +ATOM 9 CB PRO A 2 7.316 -2.380 -9.004 1.00 84.57 C +ATOM 10 CG PRO A 2 6.479 -3.100 -9.994 1.00 81.65 C +ATOM 11 CD PRO A 2 7.085 -4.465 -10.134 1.00 82.23 C +HETATM 12 N HYP A 3 7.130 -2.742 -5.913 1.00 86.05 N +HETATM 13 CA HYP A 3 6.249 -2.602 -4.724 1.00 85.28 C +HETATM 14 C HYP A 3 4.848 -2.257 -5.130 1.00 87.68 C +HETATM 15 O HYP A 3 4.635 -1.596 -6.172 1.00 90.86 O +HETATM 16 CB HYP A 3 6.928 -1.436 -3.957 1.00 87.46 C +HETATM 17 CG HYP A 3 8.393 -1.481 -4.383 1.00 83.65 C +HETATM 18 CD HYP A 3 8.279 -1.871 -5.879 1.00 87.82 C +HETATM 19 OD1 HYP A 3 9.019 -2.520 -3.687 1.00 86.23 O +ATOM 20 N GLY A 4 3.913 -2.743 -4.355 1.00 90.51 N +ATOM 21 CA GLY A 4 2.539 -2.429 -4.611 1.00 89.67 C +ATOM 22 C GLY A 4 2.250 -0.962 -4.355 1.00 89.80 C +ATOM 23 O GLY A 4 3.101 -0.217 -3.863 1.00 89.23 O +ATOM 24 N PRO A 5 1.048 -0.538 -4.698 1.00 90.44 N +ATOM 25 CA PRO A 5 0.675 0.854 -4.494 1.00 89.49 C +ATOM 26 C PRO A 5 0.474 1.169 -3.023 1.00 89.80 C +ATOM 27 O PRO A 5 0.329 0.282 -2.194 1.00 88.51 O +ATOM 28 CB PRO A 5 -0.629 0.979 -5.279 1.00 87.67 C +ATOM 29 CG PRO A 5 -1.206 -0.384 -5.251 1.00 87.06 C +ATOM 30 CD PRO A 5 -0.036 -1.324 -5.287 1.00 88.48 C +HETATM 31 N HYP A 6 0.478 2.463 -2.733 1.00 89.86 N +HETATM 32 CA HYP A 6 0.199 2.895 -1.374 1.00 93.35 C +HETATM 33 C HYP A 6 -1.151 2.436 -0.914 1.00 91.45 C +HETATM 34 O HYP A 6 -2.097 2.318 -1.753 1.00 90.42 O +HETATM 35 CB HYP A 6 0.259 4.433 -1.525 1.00 86.49 C +HETATM 36 CG HYP A 6 1.190 4.662 -2.698 1.00 86.38 C +HETATM 37 CD HYP A 6 0.797 3.548 -3.642 1.00 88.61 C +HETATM 38 OD1 HYP A 6 2.521 4.482 -2.282 1.00 87.65 O +ATOM 39 N GLY A 7 -1.251 2.103 0.335 1.00 89.63 N +ATOM 40 CA GLY A 7 -2.507 1.693 0.895 1.00 87.85 C +ATOM 41 C GLY A 7 -3.517 2.819 0.901 1.00 88.04 C +ATOM 42 O GLY A 7 -3.218 3.951 0.513 1.00 86.92 O +ATOM 43 N PRO A 8 -4.720 2.502 1.338 1.00 89.90 N +ATOM 44 CA PRO A 8 -5.764 3.516 1.361 1.00 88.95 C +ATOM 45 C PRO A 8 -5.521 4.549 2.446 1.00 89.22 C +ATOM 46 O PRO A 8 -4.826 4.302 3.422 1.00 86.73 O +ATOM 47 CB PRO A 8 -7.030 2.710 1.641 1.00 86.00 C +ATOM 48 CG PRO A 8 -6.547 1.532 2.401 1.00 86.16 C +ATOM 49 CD PRO A 8 -5.179 1.222 1.841 1.00 87.27 C +HETATM 50 N HYP A 9 -6.103 5.701 2.254 1.00 83.49 N +HETATM 51 CA HYP A 9 -6.035 6.727 3.241 1.00 88.35 C +HETATM 52 C HYP A 9 -6.731 6.308 4.515 1.00 84.88 C +HETATM 53 O HYP A 9 -7.682 5.487 4.454 1.00 86.29 O +HETATM 54 CB HYP A 9 -6.861 7.885 2.572 1.00 79.89 C +HETATM 55 CG HYP A 9 -6.766 7.626 1.100 1.00 80.45 C +HETATM 56 CD HYP A 9 -6.783 6.139 1.005 1.00 85.35 C +HETATM 57 OD1 HYP A 9 -5.531 8.094 0.608 1.00 79.68 O +ATOM 58 N GLY A 10 -6.288 6.751 5.615 1.00 87.30 N +ATOM 59 CA GLY A 10 -7.037 6.596 6.845 1.00 84.82 C +ATOM 60 C GLY A 10 -8.295 7.433 6.773 1.00 85.17 C +ATOM 61 O GLY A 10 -8.605 8.052 5.753 1.00 82.95 O +ATOM 62 N LEU A 11 -9.027 7.452 7.868 1.00 83.57 N +ATOM 63 CA LEU A 11 -10.271 8.207 7.865 1.00 85.82 C +ATOM 64 C LEU A 11 -10.021 9.658 7.452 1.00 85.31 C +ATOM 65 O LEU A 11 -10.826 10.242 6.731 1.00 82.28 O +ATOM 66 CB LEU A 11 -10.926 8.113 9.238 1.00 83.94 C +ATOM 67 CG LEU A 11 -12.399 8.479 9.319 1.00 77.86 C +ATOM 68 CD1 LEU A 11 -13.231 7.789 8.265 1.00 75.36 C +ATOM 69 CD2 LEU A 11 -12.922 8.144 10.708 1.00 73.60 C +ATOM 70 N LYS A 12 -8.905 10.210 7.874 1.00 85.22 N +ATOM 71 CA LYS A 12 -8.413 11.494 7.371 1.00 86.93 C +ATOM 72 C LYS A 12 -6.883 11.507 7.364 1.00 86.09 C +ATOM 73 O LYS A 12 -6.271 12.555 7.540 1.00 82.12 O +ATOM 74 CB LYS A 12 -8.960 12.675 8.188 1.00 81.95 C +ATOM 75 CG LYS A 12 -10.343 13.126 7.774 1.00 76.61 C +ATOM 76 CD LYS A 12 -10.782 14.397 8.476 1.00 72.63 C +ATOM 77 CE LYS A 12 -10.525 15.625 7.632 1.00 68.58 C +ATOM 78 NZ LYS A 12 -11.063 16.841 8.277 1.00 63.85 N +ATOM 79 N GLY A 13 -6.283 10.360 7.144 1.00 90.57 N +ATOM 80 CA GLY A 13 -4.846 10.216 7.258 1.00 89.61 C +ATOM 81 C GLY A 13 -4.170 9.928 5.940 1.00 89.63 C +ATOM 82 O GLY A 13 -4.811 9.841 4.891 1.00 88.95 O +ATOM 83 N PRO A 14 -2.858 9.791 5.989 1.00 90.90 N +ATOM 84 CA PRO A 14 -2.095 9.527 4.784 1.00 90.06 C +ATOM 85 C PRO A 14 -2.329 8.117 4.268 1.00 90.61 C +ATOM 86 O PRO A 14 -2.834 7.255 4.978 1.00 88.14 O +ATOM 87 CB PRO A 14 -0.647 9.715 5.234 1.00 87.64 C +ATOM 88 CG PRO A 14 -0.675 9.355 6.672 1.00 87.60 C +ATOM 89 CD PRO A 14 -2.014 9.828 7.179 1.00 88.07 C +HETATM 90 N HYP A 15 -1.941 7.951 3.051 1.00 88.87 N +HETATM 91 CA HYP A 15 -1.960 6.613 2.464 1.00 89.07 C +HETATM 92 C HYP A 15 -1.114 5.653 3.231 1.00 91.78 C +HETATM 93 O HYP A 15 -0.121 6.089 3.874 1.00 89.44 O +HETATM 94 CB HYP A 15 -1.412 6.899 1.054 1.00 88.30 C +HETATM 95 CG HYP A 15 -1.736 8.369 0.801 1.00 86.27 C +HETATM 96 CD HYP A 15 -1.542 8.998 2.149 1.00 87.76 C +HETATM 97 OD1 HYP A 15 -3.061 8.513 0.383 1.00 86.84 O +ATOM 98 N GLY A 16 -1.487 4.425 3.198 1.00 94.04 N +ATOM 99 CA GLY A 16 -0.681 3.409 3.812 1.00 93.17 C +ATOM 100 C GLY A 16 0.605 3.188 3.041 1.00 93.51 C +ATOM 101 O GLY A 16 0.830 3.787 1.988 1.00 93.06 O +ATOM 102 N PRO A 17 1.464 2.322 3.586 1.00 93.33 N +ATOM 103 CA PRO A 17 2.731 2.051 2.926 1.00 92.45 C +ATOM 104 C PRO A 17 2.542 1.251 1.651 1.00 93.22 C +ATOM 105 O PRO A 17 1.512 0.616 1.442 1.00 91.77 O +ATOM 106 CB PRO A 17 3.508 1.263 3.975 1.00 90.38 C +ATOM 107 CG PRO A 17 2.455 0.612 4.793 1.00 89.30 C +ATOM 108 CD PRO A 17 1.299 1.558 4.811 1.00 90.46 C +HETATM 109 N HYP A 18 3.534 1.299 0.806 1.00 89.87 N +HETATM 110 CA HYP A 18 3.551 0.472 -0.375 1.00 93.05 C +HETATM 111 C HYP A 18 3.409 -0.981 -0.061 1.00 90.96 C +HETATM 112 O HYP A 18 3.861 -1.426 1.026 1.00 90.64 O +HETATM 113 CB HYP A 18 4.895 0.803 -1.006 1.00 88.80 C +HETATM 114 CG HYP A 18 5.212 2.202 -0.540 1.00 87.94 C +HETATM 115 CD HYP A 18 4.674 2.200 0.880 1.00 90.14 C +HETATM 116 OD1 HYP A 18 4.503 3.154 -1.310 1.00 88.19 O +ATOM 117 N GLY A 19 2.789 -1.701 -0.929 1.00 92.13 N +ATOM 118 CA GLY A 19 2.696 -3.123 -0.780 1.00 91.38 C +ATOM 119 C GLY A 19 4.053 -3.779 -0.948 1.00 91.50 C +ATOM 120 O GLY A 19 5.031 -3.141 -1.326 1.00 90.86 O +ATOM 121 N PRO A 20 4.101 -5.068 -0.659 1.00 88.13 N +ATOM 122 CA PRO A 20 5.354 -5.790 -0.803 1.00 86.46 C +ATOM 123 C PRO A 20 5.743 -5.935 -2.263 1.00 87.01 C +ATOM 124 O PRO A 20 4.914 -5.799 -3.157 1.00 85.62 O +ATOM 125 CB PRO A 20 5.059 -7.141 -0.159 1.00 83.67 C +ATOM 126 CG PRO A 20 3.597 -7.300 -0.306 1.00 82.25 C +ATOM 127 CD PRO A 20 3.010 -5.919 -0.212 1.00 83.38 C +HETATM 128 N HYP A 21 6.996 -6.199 -2.476 1.00 86.05 N +HETATM 129 CA HYP A 21 7.474 -6.469 -3.816 1.00 86.76 C +HETATM 130 C HYP A 21 6.742 -7.608 -4.510 1.00 87.27 C +HETATM 131 O HYP A 21 6.324 -8.550 -3.815 1.00 90.17 O +HETATM 132 CB HYP A 21 8.931 -6.819 -3.618 1.00 86.35 C +HETATM 133 CG HYP A 21 9.322 -6.122 -2.325 1.00 82.99 C +HETATM 134 CD HYP A 21 8.078 -6.229 -1.488 1.00 88.41 C +HETATM 135 OD1 HYP A 21 9.535 -4.720 -2.580 1.00 86.82 O +ATOM 136 N GLY A 22 6.460 -7.461 -5.752 1.00 87.90 N +ATOM 137 CA GLY A 22 5.837 -8.515 -6.500 1.00 85.49 C +ATOM 138 C GLY A 22 6.789 -9.684 -6.679 1.00 85.52 C +ATOM 139 O GLY A 22 7.930 -9.650 -6.224 1.00 83.96 O +ATOM 140 N PRO A 23 6.327 -10.728 -7.351 1.00 89.11 N +ATOM 141 CA PRO A 23 7.188 -11.877 -7.579 1.00 88.79 C +ATOM 142 C PRO A 23 8.354 -11.508 -8.476 1.00 88.32 C +ATOM 143 O PRO A 23 8.293 -10.552 -9.242 1.00 84.96 O +ATOM 144 CB PRO A 23 6.261 -12.897 -8.236 1.00 84.85 C +ATOM 145 CG PRO A 23 5.190 -12.080 -8.849 1.00 82.00 C +ATOM 146 CD PRO A 23 5.018 -10.877 -7.968 1.00 84.25 C +HETATM 147 N HYP A 24 9.381 -12.212 -8.444 1.00 86.96 N +HETATM 148 CA HYP A 24 10.562 -11.811 -9.200 1.00 82.03 C +HETATM 149 C HYP A 24 10.364 -11.014 -10.394 1.00 83.19 C +HETATM 150 O HYP A 24 11.295 -10.610 -11.066 1.00 81.18 O +HETATM 151 CB HYP A 24 11.425 -13.036 -9.225 1.00 82.63 C +HETATM 152 CG HYP A 24 10.944 -13.893 -8.093 1.00 83.05 C +HETATM 153 CD HYP A 24 9.473 -13.553 -7.940 1.00 85.82 C +HETATM 154 OD1 HYP A 24 11.597 -13.519 -6.882 1.00 83.21 O +HETATM 155 OXT HYP A 24 9.210 -10.777 -10.735 1.00 79.59 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_27.txt b/protein_pdb_27.txt new file mode 100644 index 0000000000000000000000000000000000000000..15abf9bb2656334ac3372bba16af593a45eaeb96 --- /dev/null +++ b/protein_pdb_27.txt @@ -0,0 +1,135 @@ +ATOM 1 N GLY A 1 -1.863 -8.269 3.536 1.00 88.21 N +ATOM 2 CA GLY A 1 -2.305 -8.068 2.198 1.00 89.20 C +ATOM 3 C GLY A 1 -1.147 -7.879 1.240 1.00 89.40 C +ATOM 4 O GLY A 1 -0.002 -7.688 1.657 1.00 87.75 O +ATOM 5 N PRO A 2 -1.352 -7.820 -0.205 1.00 89.61 N +ATOM 6 CA PRO A 2 -0.311 -7.677 -1.215 1.00 89.57 C +ATOM 7 C PRO A 2 0.114 -6.223 -1.363 1.00 89.34 C +ATOM 8 O PRO A 2 -0.555 -5.307 -0.904 1.00 87.63 O +ATOM 9 CB PRO A 2 -0.983 -8.192 -2.483 1.00 87.15 C +ATOM 10 CG PRO A 2 -2.421 -7.888 -2.267 1.00 83.77 C +ATOM 11 CD PRO A 2 -2.666 -8.070 -0.792 1.00 85.37 C +HETATM 12 N HYP A 3 1.245 -5.982 -2.062 1.00 89.68 N +HETATM 13 CA HYP A 3 1.677 -4.686 -2.338 1.00 92.57 C +HETATM 14 C HYP A 3 0.672 -3.910 -3.174 1.00 94.16 C +HETATM 15 O HYP A 3 -0.085 -4.512 -3.958 1.00 91.40 O +HETATM 16 CB HYP A 3 2.986 -4.975 -3.123 1.00 87.83 C +HETATM 17 CG HYP A 3 3.474 -6.256 -2.547 1.00 85.60 C +HETATM 18 CD HYP A 3 2.186 -7.020 -2.384 1.00 86.41 C +HETATM 19 OD1 HYP A 3 4.091 -6.052 -1.288 1.00 88.37 O +ATOM 20 N GLY A 4 0.607 -2.658 -2.929 1.00 92.64 N +ATOM 21 CA GLY A 4 -0.286 -1.808 -3.662 1.00 91.69 C +ATOM 22 C GLY A 4 0.093 -1.765 -5.132 1.00 91.80 C +ATOM 23 O GLY A 4 1.141 -2.262 -5.535 1.00 91.36 O +ATOM 24 N PRO A 5 -0.757 -1.194 -5.924 1.00 90.64 N +ATOM 25 CA PRO A 5 -0.454 -1.096 -7.347 1.00 89.67 C +ATOM 26 C PRO A 5 0.683 -0.126 -7.584 1.00 89.83 C +ATOM 27 O PRO A 5 0.967 0.738 -6.758 1.00 88.72 O +ATOM 28 CB PRO A 5 -1.764 -0.584 -7.946 1.00 87.81 C +ATOM 29 CG PRO A 5 -2.400 0.164 -6.830 1.00 85.42 C +ATOM 30 CD PRO A 5 -2.026 -0.576 -5.582 1.00 87.27 C +HETATM 31 N HYP A 6 1.337 -0.248 -8.716 1.00 90.07 N +HETATM 32 CA HYP A 6 2.341 0.652 -9.060 1.00 92.25 C +HETATM 33 C HYP A 6 1.891 2.106 -9.157 1.00 90.85 C +HETATM 34 O HYP A 6 0.748 2.364 -9.553 1.00 90.76 O +HETATM 35 CB HYP A 6 2.824 0.096 -10.435 1.00 88.41 C +HETATM 36 CG HYP A 6 2.577 -1.374 -10.307 1.00 88.19 C +HETATM 37 CD HYP A 6 1.281 -1.407 -9.566 1.00 89.46 C +HETATM 38 OD1 HYP A 6 3.561 -2.028 -9.535 1.00 88.28 O +ATOM 39 N GLY A 7 2.702 2.957 -8.655 1.00 92.13 N +ATOM 40 CA GLY A 7 2.416 4.363 -8.732 1.00 91.15 C +ATOM 41 C GLY A 7 2.577 4.855 -10.154 1.00 91.12 C +ATOM 42 O GLY A 7 2.805 4.071 -11.078 1.00 90.36 O +ATOM 43 N PRO A 8 2.478 6.144 -10.344 1.00 91.30 N +ATOM 44 CA PRO A 8 2.671 6.692 -11.681 1.00 91.17 C +ATOM 45 C PRO A 8 4.112 6.482 -12.126 1.00 91.72 C +ATOM 46 O PRO A 8 4.990 6.184 -11.315 1.00 90.55 O +ATOM 47 CB PRO A 8 2.328 8.169 -11.516 1.00 89.10 C +ATOM 48 CG PRO A 8 2.522 8.438 -10.077 1.00 87.65 C +ATOM 49 CD PRO A 8 2.208 7.161 -9.348 1.00 88.60 C +HETATM 50 N HYP A 9 4.350 6.590 -13.417 1.00 90.19 N +HETATM 51 CA HYP A 9 5.636 6.425 -13.932 1.00 90.67 C +HETATM 52 C HYP A 9 6.715 6.886 -13.086 1.00 90.77 C +HETATM 53 O HYP A 9 6.665 7.990 -12.514 1.00 87.46 O +HETATM 54 CB HYP A 9 5.552 6.983 -15.335 1.00 89.68 C +HETATM 55 CG HYP A 9 4.112 6.706 -15.668 1.00 88.78 C +HETATM 56 CD HYP A 9 3.403 6.903 -14.354 1.00 89.06 C +HETATM 57 OD1 HYP A 9 3.858 5.403 -16.089 1.00 85.89 O +ATOM 58 N GLY A 10 7.690 5.974 -12.828 1.00 91.30 N +ATOM 59 CA GLY A 10 8.858 6.232 -12.033 1.00 90.78 C +ATOM 60 C GLY A 10 8.652 6.152 -10.534 1.00 91.12 C +ATOM 61 O GLY A 10 9.561 6.498 -9.776 1.00 88.87 O +ATOM 62 N SER A 11 7.516 5.688 -10.070 1.00 92.90 N +ATOM 63 CA SER A 11 7.229 5.655 -8.638 1.00 92.05 C +ATOM 64 C SER A 11 6.348 4.470 -8.289 1.00 92.02 C +ATOM 65 O SER A 11 5.169 4.465 -8.584 1.00 89.88 O +ATOM 66 CB SER A 11 6.539 6.960 -8.232 1.00 88.73 C +ATOM 67 OG SER A 11 6.268 6.981 -6.864 1.00 80.47 O +HETATM 68 N HYP A 12 6.877 3.447 -7.569 1.00 93.02 N +HETATM 69 CA HYP A 12 6.096 2.331 -7.153 1.00 93.72 C +HETATM 70 C HYP A 12 5.016 2.790 -6.136 1.00 94.72 C +HETATM 71 O HYP A 12 5.242 3.711 -5.332 1.00 90.94 O +HETATM 72 CB HYP A 12 7.062 1.401 -6.437 1.00 89.79 C +HETATM 73 CG HYP A 12 8.329 1.732 -7.071 1.00 89.38 C +HETATM 74 CD HYP A 12 8.239 3.192 -7.259 1.00 91.08 C +HETATM 75 OD1 HYP A 12 8.484 1.080 -8.311 1.00 87.31 O +ATOM 76 N GLY A 13 3.918 2.104 -6.200 1.00 93.04 N +ATOM 77 CA GLY A 13 2.895 2.355 -5.218 1.00 92.17 C +ATOM 78 C GLY A 13 3.310 1.810 -3.868 1.00 92.92 C +ATOM 79 O GLY A 13 4.231 0.998 -3.758 1.00 92.45 O +ATOM 80 N PRO A 14 2.632 2.237 -2.817 1.00 92.63 N +ATOM 81 CA PRO A 14 2.951 1.721 -1.500 1.00 92.59 C +ATOM 82 C PRO A 14 2.428 0.298 -1.353 1.00 93.00 C +ATOM 83 O PRO A 14 1.526 -0.122 -2.066 1.00 91.14 O +ATOM 84 CB PRO A 14 2.224 2.681 -0.559 1.00 90.67 C +ATOM 85 CG PRO A 14 1.052 3.139 -1.363 1.00 89.30 C +ATOM 86 CD PRO A 14 1.554 3.219 -2.784 1.00 90.91 C +HETATM 87 N HYP A 15 2.977 -0.456 -0.459 1.00 92.38 N +HETATM 88 CA HYP A 15 2.467 -1.736 -0.117 1.00 93.18 C +HETATM 89 C HYP A 15 1.006 -1.661 0.293 1.00 93.25 C +HETATM 90 O HYP A 15 0.585 -0.656 0.894 1.00 91.27 O +HETATM 91 CB HYP A 15 3.402 -2.176 0.987 1.00 90.86 C +HETATM 92 CG HYP A 15 4.688 -1.512 0.637 1.00 88.87 C +HETATM 93 CD HYP A 15 4.229 -0.150 0.159 1.00 90.84 C +HETATM 94 OD1 HYP A 15 5.337 -2.189 -0.429 1.00 87.91 O +ATOM 95 N GLY A 16 0.274 -2.692 -0.027 1.00 91.71 N +ATOM 96 CA GLY A 16 -1.097 -2.782 0.375 1.00 91.36 C +ATOM 97 C GLY A 16 -1.208 -2.930 1.883 1.00 91.71 C +ATOM 98 O GLY A 16 -0.206 -3.097 2.581 1.00 91.30 O +ATOM 99 N PRO A 17 -2.417 -2.889 2.381 1.00 90.83 N +ATOM 100 CA PRO A 17 -2.601 -3.038 3.815 1.00 90.78 C +ATOM 101 C PRO A 17 -2.306 -4.468 4.251 1.00 90.74 C +ATOM 102 O PRO A 17 -2.335 -5.391 3.448 1.00 89.11 O +ATOM 103 CB PRO A 17 -4.069 -2.680 4.015 1.00 88.47 C +ATOM 104 CG PRO A 17 -4.712 -3.018 2.713 1.00 85.97 C +ATOM 105 CD PRO A 17 -3.674 -2.709 1.667 1.00 88.58 C +HETATM 106 N HYP A 18 -2.044 -4.660 5.512 1.00 90.16 N +HETATM 107 CA HYP A 18 -1.840 -5.961 6.040 1.00 92.58 C +HETATM 108 C HYP A 18 -3.010 -6.888 5.817 1.00 93.15 C +HETATM 109 O HYP A 18 -4.147 -6.434 5.797 1.00 89.76 O +HETATM 110 CB HYP A 18 -1.580 -5.691 7.494 1.00 89.63 C +HETATM 111 CG HYP A 18 -0.954 -4.326 7.521 1.00 85.58 C +HETATM 112 CD HYP A 18 -1.704 -3.602 6.422 1.00 89.89 C +HETATM 113 OD1 HYP A 18 0.410 -4.378 7.158 1.00 88.01 O +ATOM 114 N GLY A 19 -2.703 -8.140 5.544 1.00 90.82 N +ATOM 115 CA GLY A 19 -3.716 -9.145 5.389 1.00 89.48 C +ATOM 116 C GLY A 19 -4.384 -9.434 6.721 1.00 89.91 C +ATOM 117 O GLY A 19 -4.020 -8.875 7.761 1.00 89.00 O +ATOM 118 N PRO A 20 -5.348 -10.331 6.710 1.00 88.74 N +ATOM 119 CA PRO A 20 -6.026 -10.669 7.950 1.00 89.75 C +ATOM 120 C PRO A 20 -5.101 -11.435 8.884 1.00 88.92 C +ATOM 121 O PRO A 20 -4.099 -12.000 8.458 1.00 86.17 O +ATOM 122 CB PRO A 20 -7.201 -11.522 7.478 1.00 87.21 C +ATOM 123 CG PRO A 20 -6.755 -12.089 6.186 1.00 84.60 C +ATOM 124 CD PRO A 20 -5.860 -11.058 5.563 1.00 86.40 C +HETATM 125 N HYP A 21 -5.374 -11.484 10.108 1.00 87.95 N +HETATM 126 CA HYP A 21 -4.567 -12.238 11.025 1.00 87.10 C +HETATM 127 C HYP A 21 -4.192 -13.593 10.520 1.00 85.48 C +HETATM 128 O HYP A 21 -4.440 -13.868 9.341 1.00 81.04 O +HETATM 129 CB HYP A 21 -5.418 -12.300 12.279 1.00 84.62 C +HETATM 130 CG HYP A 21 -6.350 -11.122 12.183 1.00 84.18 C +HETATM 131 CD HYP A 21 -6.557 -10.941 10.700 1.00 84.45 C +HETATM 132 OD1 HYP A 21 -5.730 -9.953 12.689 1.00 83.76 O +HETATM 133 OXT HYP A 21 -3.687 -14.477 11.255 1.00 83.47 O +TER 134 HYP A 21 +END diff --git a/protein_pdb_270.txt b/protein_pdb_270.txt new file mode 100644 index 0000000000000000000000000000000000000000..7955283be7112dbaba087253802860ebf61e30a0 --- /dev/null +++ b/protein_pdb_270.txt @@ -0,0 +1,129 @@ +ATOM 1 N GLY A 1 15.083 10.298 -24.690 1.00 71.81 N +ATOM 2 CA GLY A 1 15.807 9.507 -23.704 1.00 75.14 C +ATOM 3 C GLY A 1 14.914 8.445 -23.089 1.00 77.82 C +ATOM 4 O GLY A 1 13.717 8.407 -23.376 1.00 77.22 O +ATOM 5 N PRO A 2 15.467 7.592 -22.258 1.00 64.86 N +ATOM 6 CA PRO A 2 14.664 6.550 -21.624 1.00 74.54 C +ATOM 7 C PRO A 2 13.673 7.140 -20.627 1.00 75.66 C +ATOM 8 O PRO A 2 13.860 8.244 -20.117 1.00 71.39 O +ATOM 9 CB PRO A 2 15.708 5.663 -20.940 1.00 71.38 C +ATOM 10 CG PRO A 2 16.802 6.619 -20.622 1.00 68.89 C +ATOM 11 CD PRO A 2 16.871 7.508 -21.848 1.00 71.27 C +ATOM 12 N ALA A 3 12.625 6.387 -20.358 1.00 72.76 N +ATOM 13 CA ALA A 3 11.625 6.837 -19.398 1.00 77.71 C +ATOM 14 C ALA A 3 12.246 6.918 -18.013 1.00 78.45 C +ATOM 15 O ALA A 3 13.186 6.187 -17.690 1.00 75.08 O +ATOM 16 CB ALA A 3 10.440 5.865 -19.376 1.00 73.70 C +ATOM 17 N GLY A 4 11.731 7.805 -17.220 1.00 82.39 N +ATOM 18 CA GLY A 4 12.238 7.944 -15.867 1.00 81.76 C +ATOM 19 C GLY A 4 11.850 6.743 -15.018 1.00 80.53 C +ATOM 20 O GLY A 4 11.094 5.875 -15.467 1.00 84.26 O +ATOM 21 N PRO A 5 12.345 6.684 -13.798 1.00 86.28 N +ATOM 22 CA PRO A 5 12.026 5.546 -12.928 1.00 88.80 C +ATOM 23 C PRO A 5 10.563 5.560 -12.508 1.00 88.96 C +ATOM 24 O PRO A 5 9.893 6.590 -12.547 1.00 87.30 O +ATOM 25 CB PRO A 5 12.965 5.744 -11.738 1.00 86.24 C +ATOM 26 CG PRO A 5 13.110 7.226 -11.669 1.00 83.55 C +ATOM 27 CD PRO A 5 13.226 7.645 -13.119 1.00 85.54 C +ATOM 28 N ALA A 6 10.084 4.399 -12.117 1.00 88.56 N +ATOM 29 CA ALA A 6 8.718 4.297 -11.644 1.00 90.32 C +ATOM 30 C ALA A 6 8.559 5.150 -10.394 1.00 90.79 C +ATOM 31 O ALA A 6 9.512 5.343 -9.636 1.00 87.91 O +ATOM 32 CB ALA A 6 8.381 2.844 -11.319 1.00 88.12 C +ATOM 33 N GLY A 7 7.364 5.639 -10.197 1.00 94.87 N +ATOM 34 CA GLY A 7 7.106 6.451 -9.024 1.00 94.16 C +ATOM 35 C GLY A 7 7.137 5.605 -7.768 1.00 93.64 C +ATOM 36 O GLY A 7 7.258 4.381 -7.829 1.00 94.70 O +ATOM 37 N PRO A 8 7.027 6.241 -6.615 1.00 96.30 N +ATOM 38 CA PRO A 8 7.065 5.512 -5.350 1.00 96.15 C +ATOM 39 C PRO A 8 5.824 4.663 -5.148 1.00 96.03 C +ATOM 40 O PRO A 8 4.777 4.921 -5.728 1.00 94.92 O +ATOM 41 CB PRO A 8 7.167 6.618 -4.302 1.00 94.83 C +ATOM 42 CG PRO A 8 6.441 7.750 -4.952 1.00 93.52 C +ATOM 43 CD PRO A 8 6.879 7.686 -6.397 1.00 95.46 C +HETATM 44 N HYP A 9 5.915 3.668 -4.304 1.00 96.55 N +HETATM 45 CA HYP A 9 4.796 2.850 -3.963 1.00 97.09 C +HETATM 46 C HYP A 9 3.736 3.648 -3.290 1.00 96.59 C +HETATM 47 O HYP A 9 4.043 4.641 -2.599 1.00 94.70 O +HETATM 48 CB HYP A 9 5.424 1.816 -2.950 1.00 94.38 C +HETATM 49 CG HYP A 9 6.868 1.791 -3.341 1.00 93.60 C +HETATM 50 CD HYP A 9 7.160 3.192 -3.711 1.00 95.04 C +HETATM 51 OD1 HYP A 9 7.071 0.945 -4.439 1.00 92.46 O +ATOM 52 N GLY A 10 2.492 3.245 -3.494 1.00 97.02 N +ATOM 53 CA GLY A 10 1.407 3.942 -2.855 1.00 96.76 C +ATOM 54 C GLY A 10 1.426 3.671 -1.360 1.00 97.10 C +ATOM 55 O GLY A 10 2.251 2.896 -0.862 1.00 96.74 O +ATOM 56 N PRO A 11 0.513 4.300 -0.631 1.00 95.40 N +ATOM 57 CA PRO A 11 0.465 4.105 0.812 1.00 95.36 C +ATOM 58 C PRO A 11 -0.004 2.699 1.174 1.00 95.34 C +ATOM 59 O PRO A 11 -0.674 2.033 0.392 1.00 93.89 O +ATOM 60 CB PRO A 11 -0.514 5.176 1.275 1.00 93.94 C +ATOM 61 CG PRO A 11 -1.421 5.325 0.097 1.00 92.88 C +ATOM 62 CD PRO A 11 -0.489 5.250 -1.084 1.00 94.75 C +HETATM 63 N HYP A 12 0.343 2.266 2.343 1.00 96.69 N +HETATM 64 CA HYP A 12 -0.140 0.970 2.863 1.00 95.87 C +HETATM 65 C HYP A 12 -1.639 0.953 2.966 1.00 96.09 C +HETATM 66 O HYP A 12 -2.258 1.991 3.251 1.00 94.41 O +HETATM 67 CB HYP A 12 0.515 0.922 4.285 1.00 93.98 C +HETATM 68 CG HYP A 12 1.756 1.787 4.163 1.00 93.00 C +HETATM 69 CD HYP A 12 1.294 2.875 3.257 1.00 94.48 C +HETATM 70 OD1 HYP A 12 2.792 1.080 3.531 1.00 92.25 O +ATOM 71 N GLY A 13 -2.213 -0.216 2.743 1.00 95.83 N +ATOM 72 CA GLY A 13 -3.643 -0.350 2.853 1.00 95.77 C +ATOM 73 C GLY A 13 -4.055 -0.261 4.313 1.00 96.14 C +ATOM 74 O GLY A 13 -3.213 -0.220 5.212 1.00 95.77 O +ATOM 75 N PRO A 14 -5.360 -0.238 4.556 1.00 95.03 N +ATOM 76 CA PRO A 14 -5.849 -0.157 5.931 1.00 94.97 C +ATOM 77 C PRO A 14 -5.603 -1.450 6.688 1.00 94.80 C +ATOM 78 O PRO A 14 -5.460 -2.515 6.090 1.00 92.56 O +ATOM 79 CB PRO A 14 -7.339 0.130 5.749 1.00 93.32 C +ATOM 80 CG PRO A 14 -7.648 -0.546 4.458 1.00 92.13 C +ATOM 81 CD PRO A 14 -6.448 -0.245 3.588 1.00 94.04 C +HETATM 82 N HYP A 15 -5.541 -1.350 8.004 1.00 94.99 N +HETATM 83 CA HYP A 15 -5.425 -2.548 8.808 1.00 94.96 C +HETATM 84 C HYP A 15 -6.565 -3.505 8.600 1.00 95.28 C +HETATM 85 O HYP A 15 -7.687 -3.075 8.330 1.00 93.52 O +HETATM 86 CB HYP A 15 -5.436 -2.010 10.261 1.00 93.04 C +HETATM 87 CG HYP A 15 -4.938 -0.592 10.146 1.00 91.49 C +HETATM 88 CD HYP A 15 -5.519 -0.144 8.831 1.00 93.37 C +HETATM 89 OD1 HYP A 15 -3.525 -0.543 10.050 1.00 89.64 O +ATOM 90 N GLY A 16 -6.291 -4.789 8.699 1.00 94.94 N +ATOM 91 CA GLY A 16 -7.306 -5.783 8.535 1.00 94.99 C +ATOM 92 C GLY A 16 -8.255 -5.764 9.719 1.00 95.54 C +ATOM 93 O GLY A 16 -8.013 -5.077 10.714 1.00 95.23 O +ATOM 94 N PRO A 17 -9.345 -6.516 9.636 1.00 94.90 N +ATOM 95 CA PRO A 17 -10.314 -6.557 10.732 1.00 94.66 C +ATOM 96 C PRO A 17 -9.741 -7.290 11.934 1.00 94.84 C +ATOM 97 O PRO A 17 -8.801 -8.070 11.817 1.00 93.16 O +ATOM 98 CB PRO A 17 -11.502 -7.286 10.119 1.00 92.90 C +ATOM 99 CG PRO A 17 -10.851 -8.190 9.121 1.00 91.63 C +ATOM 100 CD PRO A 17 -9.755 -7.341 8.511 1.00 93.45 C +HETATM 101 N HYP A 18 -10.291 -7.054 13.117 1.00 93.96 N +HETATM 102 CA HYP A 18 -9.907 -7.763 14.287 1.00 94.65 C +HETATM 103 C HYP A 18 -10.072 -9.228 14.165 1.00 93.37 C +HETATM 104 O HYP A 18 -10.979 -9.675 13.486 1.00 91.74 O +HETATM 105 CB HYP A 18 -10.820 -7.179 15.382 1.00 92.01 C +HETATM 106 CG HYP A 18 -11.164 -5.796 14.897 1.00 89.93 C +HETATM 107 CD HYP A 18 -11.251 -6.006 13.408 1.00 92.52 C +HETATM 108 OD1 HYP A 18 -10.123 -4.870 15.183 1.00 88.90 O +ATOM 109 N GLY A 19 -9.166 -10.010 14.731 1.00 92.43 N +ATOM 110 CA GLY A 19 -9.200 -11.441 14.643 1.00 91.99 C +ATOM 111 C GLY A 19 -10.346 -12.005 15.471 1.00 92.30 C +ATOM 112 O GLY A 19 -11.028 -11.277 16.190 1.00 91.40 O +ATOM 113 N PRO A 20 -10.563 -13.318 15.401 1.00 91.78 N +ATOM 114 CA PRO A 20 -11.626 -13.944 16.171 1.00 91.96 C +ATOM 115 C PRO A 20 -11.297 -13.944 17.663 1.00 91.80 C +ATOM 116 O PRO A 20 -10.141 -13.782 18.055 1.00 87.85 O +ATOM 117 CB PRO A 20 -11.699 -15.353 15.599 1.00 87.71 C +ATOM 118 CG PRO A 20 -10.282 -15.612 15.213 1.00 84.23 C +ATOM 119 CD PRO A 20 -9.832 -14.297 14.613 1.00 86.35 C +ATOM 120 N PRO A 21 -12.309 -14.122 18.513 1.00 91.49 N +ATOM 121 CA PRO A 21 -12.055 -14.143 19.950 1.00 89.91 C +ATOM 122 C PRO A 21 -11.277 -15.406 20.351 1.00 86.99 C +ATOM 123 O PRO A 21 -11.211 -16.357 19.561 1.00 81.14 O +ATOM 124 CB PRO A 21 -13.456 -14.091 20.562 1.00 82.96 C +ATOM 125 CG PRO A 21 -14.282 -14.777 19.543 1.00 81.73 C +ATOM 126 CD PRO A 21 -13.738 -14.256 18.228 1.00 84.34 C +ATOM 127 OXT PRO A 21 -10.712 -15.443 21.456 1.00 75.21 O +TER 128 PRO A 21 +END diff --git a/protein_pdb_271.txt b/protein_pdb_271.txt new file mode 100644 index 0000000000000000000000000000000000000000..4d1ce10ed681cbc1db3bedcfceb51660e0e1796a --- /dev/null +++ b/protein_pdb_271.txt @@ -0,0 +1,127 @@ +ATOM 1 N GLY A 1 9.477 -8.678 28.511 1.00 71.42 N +ATOM 2 CA GLY A 1 9.714 -7.350 27.943 1.00 73.23 C +ATOM 3 C GLY A 1 8.509 -6.849 27.168 1.00 75.26 C +ATOM 4 O GLY A 1 7.626 -7.634 26.814 1.00 71.89 O +ATOM 5 N ALA A 2 8.455 -5.561 26.912 1.00 64.33 N +ATOM 6 CA ALA A 2 7.351 -4.971 26.178 1.00 76.48 C +ATOM 7 C ALA A 2 7.453 -5.288 24.689 1.00 76.60 C +ATOM 8 O ALA A 2 8.545 -5.480 24.152 1.00 72.67 O +ATOM 9 CB ALA A 2 7.329 -3.454 26.377 1.00 70.99 C +ATOM 10 N ALA A 3 6.292 -5.324 24.024 1.00 65.32 N +ATOM 11 CA ALA A 3 6.269 -5.569 22.589 1.00 72.93 C +ATOM 12 C ALA A 3 6.929 -4.400 21.861 1.00 75.07 C +ATOM 13 O ALA A 3 6.884 -3.259 22.321 1.00 69.04 O +ATOM 14 CB ALA A 3 4.832 -5.738 22.106 1.00 69.04 C +ATOM 15 N GLY A 4 7.537 -4.689 20.737 1.00 83.85 N +ATOM 16 CA GLY A 4 8.187 -3.649 19.956 1.00 82.78 C +ATOM 17 C GLY A 4 7.172 -2.759 19.250 1.00 82.43 C +ATOM 18 O GLY A 4 5.964 -2.999 19.321 1.00 83.73 O +ATOM 19 N PRO A 5 7.645 -1.728 18.557 1.00 88.27 N +ATOM 20 CA PRO A 5 6.732 -0.814 17.866 1.00 88.94 C +ATOM 21 C PRO A 5 6.077 -1.471 16.664 1.00 89.36 C +ATOM 22 O PRO A 5 6.547 -2.492 16.155 1.00 84.77 O +ATOM 23 CB PRO A 5 7.648 0.340 17.443 1.00 84.54 C +ATOM 24 CG PRO A 5 8.969 -0.328 17.246 1.00 82.67 C +ATOM 25 CD PRO A 5 9.047 -1.343 18.367 1.00 83.99 C +ATOM 26 N ALA A 6 4.976 -0.875 16.219 1.00 89.08 N +ATOM 27 CA ALA A 6 4.284 -1.383 15.044 1.00 90.42 C +ATOM 28 C ALA A 6 5.193 -1.260 13.832 1.00 91.55 C +ATOM 29 O ALA A 6 6.028 -0.349 13.752 1.00 86.88 O +ATOM 30 CB ALA A 6 2.999 -0.592 14.813 1.00 86.67 C +ATOM 31 N GLY A 7 5.026 -2.172 12.898 1.00 94.38 N +ATOM 32 CA GLY A 7 5.836 -2.146 11.692 1.00 94.29 C +ATOM 33 C GLY A 7 5.441 -1.017 10.765 1.00 94.64 C +ATOM 34 O GLY A 7 4.507 -0.270 11.038 1.00 94.22 O +ATOM 35 N PRO A 8 6.167 -0.873 9.652 1.00 96.24 N +ATOM 36 CA PRO A 8 5.888 0.200 8.699 1.00 96.15 C +ATOM 37 C PRO A 8 4.596 -0.049 7.934 1.00 96.51 C +ATOM 38 O PRO A 8 4.062 -1.148 7.927 1.00 95.34 O +ATOM 39 CB PRO A 8 7.102 0.158 7.766 1.00 94.57 C +ATOM 40 CG PRO A 8 7.501 -1.274 7.794 1.00 92.86 C +ATOM 41 CD PRO A 8 7.296 -1.698 9.227 1.00 94.67 C +HETATM 42 N HYP A 9 4.077 0.985 7.279 1.00 96.66 N +HETATM 43 CA HYP A 9 2.946 0.890 6.425 1.00 96.35 C +HETATM 44 C HYP A 9 3.157 -0.092 5.344 1.00 96.75 C +HETATM 45 O HYP A 9 4.299 -0.289 4.874 1.00 93.89 O +HETATM 46 CB HYP A 9 2.773 2.324 5.858 1.00 93.32 C +HETATM 47 CG HYP A 9 3.403 3.161 6.934 1.00 93.59 C +HETATM 48 CD HYP A 9 4.554 2.351 7.390 1.00 94.47 C +HETATM 49 OD1 HYP A 9 2.498 3.383 7.985 1.00 91.96 O +ATOM 50 N GLY A 10 2.083 -0.779 4.926 1.00 96.74 N +ATOM 51 CA GLY A 10 2.188 -1.747 3.861 1.00 96.47 C +ATOM 52 C GLY A 10 2.481 -1.074 2.537 1.00 96.81 C +ATOM 53 O GLY A 10 2.526 0.159 2.439 1.00 96.59 O +ATOM 54 N PRO A 11 2.689 -1.884 1.490 1.00 96.33 N +ATOM 55 CA PRO A 11 2.990 -1.334 0.171 1.00 96.38 C +ATOM 56 C PRO A 11 1.765 -0.662 -0.446 1.00 96.54 C +ATOM 57 O PRO A 11 0.637 -0.903 -0.036 1.00 95.80 O +ATOM 58 CB PRO A 11 3.425 -2.562 -0.628 1.00 95.29 C +ATOM 59 CG PRO A 11 2.675 -3.671 0.022 1.00 94.23 C +ATOM 60 CD PRO A 11 2.693 -3.348 1.486 1.00 95.98 C +HETATM 61 N HYP A 12 1.991 0.179 -1.404 1.00 97.08 N +HETATM 62 CA HYP A 12 0.917 0.801 -2.179 1.00 96.17 C +HETATM 63 C HYP A 12 0.054 -0.215 -2.850 1.00 96.65 C +HETATM 64 O HYP A 12 0.541 -1.277 -3.273 1.00 95.20 O +HETATM 65 CB HYP A 12 1.694 1.675 -3.203 1.00 94.24 C +HETATM 66 CG HYP A 12 3.007 1.965 -2.526 1.00 94.03 C +HETATM 67 CD HYP A 12 3.304 0.701 -1.805 1.00 95.15 C +HETATM 68 OD1 HYP A 12 2.887 3.018 -1.602 1.00 93.39 O +ATOM 69 N GLY A 13 -1.244 0.086 -2.978 1.00 96.91 N +ATOM 70 CA GLY A 13 -2.161 -0.802 -3.641 1.00 96.79 C +ATOM 71 C GLY A 13 -1.877 -0.846 -5.134 1.00 97.02 C +ATOM 72 O GLY A 13 -1.027 -0.109 -5.642 1.00 96.72 O +ATOM 73 N PRO A 14 -2.584 -1.729 -5.846 1.00 96.44 N +ATOM 74 CA PRO A 14 -2.378 -1.859 -7.285 1.00 96.37 C +ATOM 75 C PRO A 14 -2.890 -0.632 -8.036 1.00 96.43 C +ATOM 76 O PRO A 14 -3.695 0.135 -7.518 1.00 95.08 O +ATOM 77 CB PRO A 14 -3.172 -3.112 -7.638 1.00 95.03 C +ATOM 78 CG PRO A 14 -4.257 -3.124 -6.617 1.00 93.80 C +ATOM 79 CD PRO A 14 -3.593 -2.654 -5.353 1.00 95.88 C +HETATM 80 N HYP A 15 -2.410 -0.464 -9.254 1.00 96.15 N +HETATM 81 CA HYP A 15 -2.902 0.603 -10.109 1.00 95.98 C +HETATM 82 C HYP A 15 -4.380 0.518 -10.342 1.00 96.58 C +HETATM 83 O HYP A 15 -4.931 -0.575 -10.429 1.00 95.18 O +HETATM 84 CB HYP A 15 -2.113 0.382 -11.417 1.00 94.22 C +HETATM 85 CG HYP A 15 -0.849 -0.327 -10.987 1.00 93.21 C +HETATM 86 CD HYP A 15 -1.339 -1.217 -9.892 1.00 94.69 C +HETATM 87 OD1 HYP A 15 0.107 0.582 -10.459 1.00 91.78 O +ATOM 88 N GLY A 16 -5.052 1.652 -10.425 1.00 95.93 N +ATOM 89 CA GLY A 16 -6.470 1.683 -10.672 1.00 96.07 C +ATOM 90 C GLY A 16 -6.766 1.217 -12.088 1.00 96.43 C +ATOM 91 O GLY A 16 -5.858 1.069 -12.908 1.00 96.12 O +ATOM 92 N PRO A 17 -8.039 0.985 -12.393 1.00 95.93 N +ATOM 93 CA PRO A 17 -8.408 0.523 -13.731 1.00 95.78 C +ATOM 94 C PRO A 17 -8.237 1.632 -14.756 1.00 96.03 C +ATOM 95 O PRO A 17 -8.196 2.811 -14.420 1.00 94.73 O +ATOM 96 CB PRO A 17 -9.875 0.121 -13.563 1.00 94.14 C +ATOM 97 CG PRO A 17 -10.355 1.026 -12.482 1.00 92.81 C +ATOM 98 CD PRO A 17 -9.195 1.113 -11.518 1.00 95.01 C +HETATM 99 N HYP A 18 -8.118 1.252 -16.035 1.00 95.59 N +HETATM 100 CA HYP A 18 -8.098 2.210 -17.097 1.00 96.38 C +HETATM 101 C HYP A 18 -9.305 3.061 -17.129 1.00 95.35 C +HETATM 102 O HYP A 18 -10.372 2.587 -16.756 1.00 94.12 O +HETATM 103 CB HYP A 18 -7.992 1.310 -18.372 1.00 94.15 C +HETATM 104 CG HYP A 18 -7.334 0.045 -17.904 1.00 92.90 C +HETATM 105 CD HYP A 18 -7.886 -0.123 -16.514 1.00 93.79 C +HETATM 106 OD1 HYP A 18 -5.916 0.185 -17.836 1.00 91.43 O +ATOM 107 N GLY A 19 -9.188 4.337 -17.504 1.00 94.80 N +ATOM 108 CA GLY A 19 -10.309 5.242 -17.565 1.00 94.45 C +ATOM 109 C GLY A 19 -11.292 4.814 -18.640 1.00 94.60 C +ATOM 110 O GLY A 19 -11.002 3.943 -19.460 1.00 93.72 O +ATOM 111 N PRO A 20 -12.477 5.446 -18.672 1.00 93.18 N +ATOM 112 CA PRO A 20 -13.478 5.089 -19.672 1.00 92.86 C +ATOM 113 C PRO A 20 -13.061 5.557 -21.065 1.00 92.61 C +ATOM 114 O PRO A 20 -12.213 6.443 -21.213 1.00 88.12 O +ATOM 115 CB PRO A 20 -14.736 5.803 -19.193 1.00 89.13 C +ATOM 116 CG PRO A 20 -14.187 7.005 -18.494 1.00 86.22 C +ATOM 117 CD PRO A 20 -12.955 6.490 -17.776 1.00 89.02 C +ATOM 118 N PRO A 21 -13.667 4.966 -22.112 1.00 92.57 N +ATOM 119 CA PRO A 21 -13.333 5.387 -23.475 1.00 90.84 C +ATOM 120 C PRO A 21 -13.723 6.852 -23.705 1.00 88.29 C +ATOM 121 O PRO A 21 -14.565 7.377 -22.982 1.00 82.65 O +ATOM 122 CB PRO A 21 -14.158 4.447 -24.356 1.00 84.04 C +ATOM 123 CG PRO A 21 -14.415 3.265 -23.495 1.00 83.10 C +ATOM 124 CD PRO A 21 -14.585 3.837 -22.117 1.00 86.26 C +ATOM 125 OXT PRO A 21 -13.175 7.482 -24.648 1.00 76.86 O +TER 126 PRO A 21 +END diff --git a/protein_pdb_272.txt b/protein_pdb_272.txt new file mode 100644 index 0000000000000000000000000000000000000000..8a23780078450a2c79fdd8e0a733ead4752922b4 --- /dev/null +++ b/protein_pdb_272.txt @@ -0,0 +1,195 @@ +ATOM 1 N GLY A 1 -19.737 42.483 -14.191 1.00 90.21 N +ATOM 2 CA GLY A 1 -19.107 41.765 -15.301 1.00 91.34 C +ATOM 3 C GLY A 1 -19.251 40.272 -15.154 1.00 91.90 C +ATOM 4 O GLY A 1 -19.715 39.788 -14.119 1.00 89.39 O +ATOM 5 N PRO A 2 -18.828 39.492 -16.148 1.00 95.40 N +ATOM 6 CA PRO A 2 -18.933 38.036 -16.075 1.00 95.85 C +ATOM 7 C PRO A 2 -17.928 37.455 -15.087 1.00 96.04 C +ATOM 8 O PRO A 2 -16.924 38.083 -14.765 1.00 94.46 O +ATOM 9 CB PRO A 2 -18.636 37.588 -17.505 1.00 93.12 C +ATOM 10 CG PRO A 2 -17.733 38.650 -18.020 1.00 89.86 C +ATOM 11 CD PRO A 2 -18.271 39.929 -17.426 1.00 92.26 C +HETATM 12 N HYP A 3 -18.211 36.319 -14.620 1.00 95.67 N +HETATM 13 CA HYP A 3 -17.309 35.603 -13.731 1.00 95.39 C +HETATM 14 C HYP A 3 -15.932 35.310 -14.416 1.00 94.86 C +HETATM 15 O HYP A 3 -15.858 35.114 -15.625 1.00 94.76 O +HETATM 16 CB HYP A 3 -18.025 34.242 -13.497 1.00 93.60 C +HETATM 17 CG HYP A 3 -19.452 34.509 -13.813 1.00 92.34 C +HETATM 18 CD HYP A 3 -19.391 35.543 -14.937 1.00 93.75 C +HETATM 19 OD1 HYP A 3 -20.145 35.052 -12.731 1.00 93.51 O +ATOM 20 N GLY A 4 -14.905 35.312 -13.562 1.00 97.04 N +ATOM 21 CA GLY A 4 -13.588 35.027 -14.082 1.00 96.56 C +ATOM 22 C GLY A 4 -13.451 33.547 -14.406 1.00 96.83 C +ATOM 23 O GLY A 4 -14.339 32.743 -14.088 1.00 96.74 O +ATOM 24 N PRO A 5 -12.328 33.151 -15.025 1.00 96.91 N +ATOM 25 CA PRO A 5 -12.125 31.742 -15.365 1.00 96.66 C +ATOM 26 C PRO A 5 -11.925 30.898 -14.116 1.00 96.90 C +ATOM 27 O PRO A 5 -11.488 31.394 -13.079 1.00 96.54 O +ATOM 28 CB PRO A 5 -10.871 31.768 -16.247 1.00 95.03 C +ATOM 29 CG PRO A 5 -10.136 32.971 -15.762 1.00 93.50 C +ATOM 30 CD PRO A 5 -11.213 33.981 -15.457 1.00 95.95 C +HETATM 31 N HYP A 6 -12.244 29.682 -14.233 1.00 96.97 N +HETATM 32 CA HYP A 6 -11.993 28.725 -13.113 1.00 96.55 C +HETATM 33 C HYP A 6 -10.542 28.585 -12.783 1.00 96.49 C +HETATM 34 O HYP A 6 -9.709 28.682 -13.633 1.00 96.25 O +HETATM 35 CB HYP A 6 -12.572 27.372 -13.666 1.00 95.76 C +HETATM 36 CG HYP A 6 -13.584 27.776 -14.707 1.00 93.91 C +HETATM 37 CD HYP A 6 -12.984 29.050 -15.297 1.00 95.84 C +HETATM 38 OD1 HYP A 6 -14.815 28.061 -14.108 1.00 93.34 O +ATOM 39 N GLY A 7 -10.257 28.364 -11.459 1.00 96.67 N +ATOM 40 CA GLY A 7 -8.893 28.223 -11.006 1.00 96.23 C +ATOM 41 C GLY A 7 -8.266 26.953 -11.556 1.00 96.61 C +ATOM 42 O GLY A 7 -8.952 26.041 -12.023 1.00 96.71 O +ATOM 43 N ALA A 8 -6.936 26.896 -11.474 1.00 96.60 N +ATOM 44 CA ALA A 8 -6.203 25.732 -11.952 1.00 96.57 C +ATOM 45 C ALA A 8 -6.474 24.527 -11.054 1.00 96.62 C +ATOM 46 O ALA A 8 -6.753 24.672 -9.860 1.00 95.60 O +ATOM 47 CB ALA A 8 -4.709 26.030 -11.992 1.00 94.74 C +ATOM 48 N ALA A 9 -6.365 23.323 -11.624 1.00 96.11 N +ATOM 49 CA ALA A 9 -6.556 22.103 -10.856 1.00 96.01 C +ATOM 50 C ALA A 9 -5.442 21.975 -9.823 1.00 96.29 C +ATOM 51 O ALA A 9 -4.311 22.390 -10.055 1.00 94.37 O +ATOM 52 CB ALA A 9 -6.551 20.890 -11.782 1.00 93.91 C +ATOM 53 N GLY A 10 -5.774 21.414 -8.674 1.00 96.56 N +ATOM 54 CA GLY A 10 -4.776 21.225 -7.639 1.00 96.16 C +ATOM 55 C GLY A 10 -3.757 20.171 -8.025 1.00 96.63 C +ATOM 56 O GLY A 10 -3.956 19.415 -8.981 1.00 96.95 O +ATOM 57 N PRO A 11 -2.660 20.081 -7.280 1.00 97.39 N +ATOM 58 CA PRO A 11 -1.634 19.087 -7.592 1.00 97.24 C +ATOM 59 C PRO A 11 -2.102 17.681 -7.238 1.00 97.46 C +ATOM 60 O PRO A 11 -2.997 17.486 -6.415 1.00 96.68 O +ATOM 61 CB PRO A 11 -0.448 19.516 -6.722 1.00 96.04 C +ATOM 62 CG PRO A 11 -1.108 20.136 -5.544 1.00 95.09 C +ATOM 63 CD PRO A 11 -2.290 20.893 -6.123 1.00 96.71 C +ATOM 64 N ALA A 12 -1.467 16.686 -7.860 1.00 96.76 N +ATOM 65 CA ALA A 12 -1.790 15.300 -7.573 1.00 96.90 C +ATOM 66 C ALA A 12 -1.364 14.977 -6.147 1.00 97.25 C +ATOM 67 O ALA A 12 -0.403 15.541 -5.620 1.00 95.73 O +ATOM 68 CB ALA A 12 -1.076 14.376 -8.560 1.00 95.38 C +ATOM 69 N GLY A 13 -2.083 14.072 -5.503 1.00 96.96 N +ATOM 70 CA GLY A 13 -1.750 13.673 -4.148 1.00 96.62 C +ATOM 71 C GLY A 13 -0.431 12.932 -4.089 1.00 96.86 C +ATOM 72 O GLY A 13 0.047 12.399 -5.087 1.00 96.85 O +ATOM 73 N ALA A 14 0.154 12.904 -2.902 1.00 97.23 N +ATOM 74 CA ALA A 14 1.414 12.199 -2.703 1.00 97.35 C +ATOM 75 C ALA A 14 1.201 10.698 -2.801 1.00 97.42 C +ATOM 76 O ALA A 14 0.113 10.181 -2.521 1.00 96.34 O +ATOM 77 CB ALA A 14 2.005 12.552 -1.340 1.00 95.84 C +ATOM 78 N ALA A 15 2.256 9.970 -3.171 1.00 97.03 N +ATOM 79 CA ALA A 15 2.176 8.517 -3.254 1.00 97.22 C +ATOM 80 C ALA A 15 1.938 7.959 -1.853 1.00 97.27 C +ATOM 81 O ALA A 15 2.419 8.503 -0.859 1.00 95.59 O +ATOM 82 CB ALA A 15 3.464 7.948 -3.839 1.00 95.88 C +ATOM 83 N GLY A 16 1.189 6.869 -1.777 1.00 97.19 N +ATOM 84 CA GLY A 16 0.907 6.252 -0.496 1.00 96.58 C +ATOM 85 C GLY A 16 2.148 5.622 0.108 1.00 96.70 C +ATOM 86 O GLY A 16 3.164 5.439 -0.564 1.00 97.15 O +ATOM 87 N PRO A 17 2.089 5.267 1.400 1.00 97.55 N +ATOM 88 CA PRO A 17 3.233 4.648 2.059 1.00 97.32 C +ATOM 89 C PRO A 17 3.450 3.224 1.568 1.00 97.49 C +ATOM 90 O PRO A 17 2.562 2.601 0.997 1.00 96.81 O +ATOM 91 CB PRO A 17 2.856 4.690 3.540 1.00 95.88 C +ATOM 92 CG PRO A 17 1.377 4.590 3.509 1.00 95.02 C +ATOM 93 CD PRO A 17 0.958 5.438 2.322 1.00 96.75 C +ATOM 94 N ALA A 18 4.646 2.712 1.817 1.00 97.29 N +ATOM 95 CA ALA A 18 4.963 1.342 1.440 1.00 97.23 C +ATOM 96 C ALA A 18 4.060 0.388 2.212 1.00 97.35 C +ATOM 97 O ALA A 18 3.655 0.668 3.342 1.00 96.09 O +ATOM 98 CB ALA A 18 6.426 1.024 1.732 1.00 95.89 C +ATOM 99 N GLY A 19 3.749 -0.744 1.598 1.00 97.48 N +ATOM 100 CA GLY A 19 2.903 -1.736 2.245 1.00 96.97 C +ATOM 101 C GLY A 19 3.607 -2.423 3.397 1.00 97.22 C +ATOM 102 O GLY A 19 4.810 -2.264 3.588 1.00 97.50 O +ATOM 103 N PRO A 20 2.863 -3.210 4.184 1.00 97.21 N +ATOM 104 CA PRO A 20 3.438 -3.914 5.320 1.00 97.09 C +ATOM 105 C PRO A 20 4.331 -5.058 4.862 1.00 97.24 C +ATOM 106 O PRO A 20 4.286 -5.479 3.715 1.00 96.72 O +ATOM 107 CB PRO A 20 2.216 -4.428 6.072 1.00 95.49 C +ATOM 108 CG PRO A 20 1.206 -4.623 4.992 1.00 94.25 C +ATOM 109 CD PRO A 20 1.422 -3.459 4.063 1.00 96.47 C +HETATM 110 N HYP A 21 5.111 -5.594 5.774 1.00 97.06 N +HETATM 111 CA HYP A 21 5.965 -6.712 5.509 1.00 96.69 C +HETATM 112 C HYP A 21 5.178 -7.924 5.027 1.00 97.18 C +HETATM 113 O HYP A 21 4.019 -8.100 5.450 1.00 96.52 O +HETATM 114 CB HYP A 21 6.624 -6.999 6.838 1.00 95.45 C +HETATM 115 CG HYP A 21 6.610 -5.662 7.526 1.00 93.48 C +HETATM 116 CD HYP A 21 5.315 -5.084 7.105 1.00 95.62 C +HETATM 117 OD1 HYP A 21 7.655 -4.833 7.091 1.00 94.23 O +ATOM 118 N GLY A 22 5.747 -8.706 4.179 1.00 97.54 N +ATOM 119 CA GLY A 22 5.086 -9.878 3.689 1.00 97.08 C +ATOM 120 C GLY A 22 4.908 -10.908 4.798 1.00 97.24 C +ATOM 121 O GLY A 22 5.436 -10.743 5.904 1.00 97.30 O +ATOM 122 N PRO A 23 4.175 -11.994 4.514 1.00 97.00 N +ATOM 123 CA PRO A 23 3.936 -13.032 5.519 1.00 96.88 C +ATOM 124 C PRO A 23 5.216 -13.804 5.824 1.00 96.92 C +ATOM 125 O PRO A 23 6.138 -13.845 5.026 1.00 96.27 O +ATOM 126 CB PRO A 23 2.881 -13.910 4.867 1.00 95.22 C +ATOM 127 CG PRO A 23 3.133 -13.740 3.412 1.00 93.97 C +ATOM 128 CD PRO A 23 3.499 -12.283 3.252 1.00 96.28 C +HETATM 129 N HYP A 24 5.241 -14.450 6.942 1.00 96.48 N +HETATM 130 CA HYP A 24 6.358 -15.280 7.343 1.00 95.98 C +HETATM 131 C HYP A 24 6.562 -16.443 6.357 1.00 96.08 C +HETATM 132 O HYP A 24 5.600 -16.927 5.792 1.00 95.63 O +HETATM 133 CB HYP A 24 5.913 -15.850 8.704 1.00 94.29 C +HETATM 134 CG HYP A 24 4.941 -14.835 9.258 1.00 91.94 C +HETATM 135 CD HYP A 24 4.231 -14.355 7.999 1.00 94.51 C +HETATM 136 OD1 HYP A 24 5.584 -13.737 9.856 1.00 92.79 O +ATOM 137 N GLY A 25 7.791 -16.820 6.176 1.00 96.41 N +ATOM 138 CA GLY A 25 8.089 -17.923 5.304 1.00 95.89 C +ATOM 139 C GLY A 25 7.565 -19.220 5.901 1.00 96.21 C +ATOM 140 O GLY A 25 7.164 -19.268 7.067 1.00 96.27 O +ATOM 141 N PRO A 26 7.586 -20.305 5.119 1.00 95.91 N +ATOM 142 CA PRO A 26 7.097 -21.584 5.614 1.00 95.57 C +ATOM 143 C PRO A 26 8.039 -22.171 6.650 1.00 95.52 C +ATOM 144 O PRO A 26 9.222 -21.847 6.687 1.00 94.73 O +ATOM 145 CB PRO A 26 7.034 -22.442 4.346 1.00 93.34 C +ATOM 146 CG PRO A 26 8.095 -21.858 3.488 1.00 91.98 C +ATOM 147 CD PRO A 26 8.012 -20.368 3.727 1.00 95.06 C +HETATM 148 N HYP A 27 7.537 -23.063 7.487 1.00 95.39 N +HETATM 149 CA HYP A 27 8.370 -23.714 8.480 1.00 94.39 C +HETATM 150 C HYP A 27 9.430 -24.576 7.786 1.00 94.88 C +HETATM 151 O HYP A 27 9.232 -25.081 6.711 1.00 94.05 O +HETATM 152 CB HYP A 27 7.362 -24.695 9.176 1.00 93.11 C +HETATM 153 CG HYP A 27 6.008 -24.065 9.003 1.00 90.51 C +HETATM 154 CD HYP A 27 6.118 -23.426 7.625 1.00 93.75 C +HETATM 155 OD1 HYP A 27 5.786 -23.055 9.972 1.00 90.62 O +ATOM 156 N GLY A 28 10.561 -24.689 8.469 1.00 93.50 N +ATOM 157 CA GLY A 28 11.621 -25.512 7.952 1.00 92.86 C +ATOM 158 C GLY A 28 11.211 -26.978 8.002 1.00 93.40 C +ATOM 159 O GLY A 28 10.192 -27.328 8.598 1.00 93.85 O +ATOM 160 N PRO A 29 12.011 -27.871 7.395 1.00 94.21 N +ATOM 161 CA PRO A 29 11.679 -29.292 7.404 1.00 93.65 C +ATOM 162 C PRO A 29 11.804 -29.876 8.805 1.00 93.43 C +ATOM 163 O PRO A 29 12.566 -29.373 9.636 1.00 92.11 O +ATOM 164 CB PRO A 29 12.689 -29.898 6.435 1.00 91.06 C +ATOM 165 CG PRO A 29 13.832 -28.943 6.474 1.00 90.54 C +ATOM 166 CD PRO A 29 13.213 -27.588 6.623 1.00 93.57 C +HETATM 167 N HYP A 30 11.083 -30.971 9.104 1.00 92.89 N +HETATM 168 CA HYP A 30 11.152 -31.587 10.397 1.00 92.35 C +HETATM 169 C HYP A 30 12.533 -32.172 10.651 1.00 91.65 C +HETATM 170 O HYP A 30 13.200 -32.589 9.742 1.00 89.85 O +HETATM 171 CB HYP A 30 10.136 -32.771 10.289 1.00 90.16 C +HETATM 172 CG HYP A 30 9.162 -32.362 9.225 1.00 86.58 C +HETATM 173 CD HYP A 30 10.035 -31.547 8.272 1.00 90.96 C +HETATM 174 OD1 HYP A 30 8.159 -31.533 9.768 1.00 88.36 O +ATOM 175 N GLY A 31 12.931 -32.139 11.936 1.00 92.52 N +ATOM 176 CA GLY A 31 14.204 -32.703 12.311 1.00 91.48 C +ATOM 177 C GLY A 31 14.173 -34.219 12.205 1.00 90.43 C +ATOM 178 O GLY A 31 13.111 -34.820 12.034 1.00 89.58 O +ATOM 179 N PRO A 32 15.334 -34.873 12.339 1.00 92.38 N +ATOM 180 CA PRO A 32 15.369 -36.334 12.250 1.00 91.85 C +ATOM 181 C PRO A 32 14.723 -36.967 13.478 1.00 90.43 C +ATOM 182 O PRO A 32 14.614 -36.325 14.530 1.00 86.64 O +ATOM 183 CB PRO A 32 16.863 -36.647 12.157 1.00 88.44 C +ATOM 184 CG PRO A 32 17.479 -35.523 12.919 1.00 86.08 C +ATOM 185 CD PRO A 32 16.657 -34.311 12.544 1.00 88.25 C +ATOM 186 N PRO A 33 14.286 -38.220 13.360 1.00 93.89 N +ATOM 187 CA PRO A 33 13.652 -38.892 14.507 1.00 92.52 C +ATOM 188 C PRO A 33 14.676 -39.172 15.620 1.00 89.67 C +ATOM 189 O PRO A 33 14.310 -39.082 16.789 1.00 84.74 O +ATOM 190 CB PRO A 33 13.089 -40.179 13.898 1.00 86.74 C +ATOM 191 CG PRO A 33 13.973 -40.434 12.730 1.00 85.68 C +ATOM 192 CD PRO A 33 14.268 -39.075 12.162 1.00 87.80 C +ATOM 193 OXT PRO A 33 15.830 -39.481 15.343 1.00 76.60 O +TER 194 PRO A 33 +END diff --git a/protein_pdb_273.txt b/protein_pdb_273.txt new file mode 100644 index 0000000000000000000000000000000000000000..ad65250607a13c0ceff4b91d2171391cf7131f52 --- /dev/null +++ b/protein_pdb_273.txt @@ -0,0 +1,130 @@ +ATOM 1 N GLY A 1 12.996 -28.532 -0.279 1.00 70.22 N +ATOM 2 CA GLY A 1 12.968 -27.652 0.890 1.00 72.93 C +ATOM 3 C GLY A 1 11.693 -26.830 0.942 1.00 74.56 C +ATOM 4 O GLY A 1 10.943 -26.780 -0.038 1.00 71.51 O +ATOM 5 N ALA A 2 11.431 -26.206 2.064 1.00 68.42 N +ATOM 6 CA ALA A 2 10.235 -25.392 2.234 1.00 78.08 C +ATOM 7 C ALA A 2 10.336 -24.087 1.457 1.00 77.94 C +ATOM 8 O ALA A 2 11.431 -23.573 1.205 1.00 73.28 O +ATOM 9 CB ALA A 2 10.010 -25.090 3.711 1.00 72.82 C +ATOM 10 N ALA A 3 9.171 -23.543 1.068 1.00 81.31 N +ATOM 11 CA ALA A 3 9.136 -22.266 0.373 1.00 84.93 C +ATOM 12 C ALA A 3 9.646 -21.162 1.282 1.00 85.89 C +ATOM 13 O ALA A 3 9.546 -21.246 2.509 1.00 80.87 O +ATOM 14 CB ALA A 3 7.712 -21.947 -0.075 1.00 79.63 C +ATOM 15 N GLY A 4 10.175 -20.126 0.672 1.00 90.38 N +ATOM 16 CA GLY A 4 10.667 -18.989 1.434 1.00 89.48 C +ATOM 17 C GLY A 4 9.516 -18.189 2.016 1.00 89.32 C +ATOM 18 O GLY A 4 8.346 -18.473 1.770 1.00 90.70 O +ATOM 19 N PRO A 5 9.834 -17.152 2.796 1.00 95.31 N +ATOM 20 CA PRO A 5 8.792 -16.337 3.428 1.00 95.26 C +ATOM 21 C PRO A 5 8.054 -15.477 2.409 1.00 95.54 C +ATOM 22 O PRO A 5 8.550 -15.216 1.318 1.00 94.37 O +ATOM 23 CB PRO A 5 9.579 -15.475 4.423 1.00 93.29 C +ATOM 24 CG PRO A 5 10.917 -15.341 3.781 1.00 91.77 C +ATOM 25 CD PRO A 5 11.178 -16.689 3.163 1.00 93.56 C +HETATM 26 N HYP A 6 6.885 -15.033 2.779 1.00 95.05 N +HETATM 27 CA HYP A 6 6.128 -14.104 1.967 1.00 96.07 C +HETATM 28 C HYP A 6 6.859 -12.815 1.720 1.00 95.29 C +HETATM 29 O HYP A 6 7.625 -12.387 2.622 1.00 94.46 O +HETATM 30 CB HYP A 6 4.830 -13.879 2.807 1.00 93.89 C +HETATM 31 CG HYP A 6 4.745 -15.123 3.678 1.00 92.75 C +HETATM 32 CD HYP A 6 6.161 -15.443 3.976 1.00 94.30 C +HETATM 33 OD1 HYP A 6 4.144 -16.170 2.963 1.00 91.70 O +ATOM 34 N GLY A 7 6.661 -12.235 0.580 1.00 96.92 N +ATOM 35 CA GLY A 7 7.291 -10.969 0.284 1.00 96.58 C +ATOM 36 C GLY A 7 6.679 -9.862 1.132 1.00 96.80 C +ATOM 37 O GLY A 7 5.706 -10.080 1.860 1.00 96.44 O +ATOM 38 N PRO A 8 7.242 -8.662 1.041 1.00 96.74 N +ATOM 39 CA PRO A 8 6.731 -7.540 1.824 1.00 96.57 C +ATOM 40 C PRO A 8 5.380 -7.053 1.301 1.00 96.80 C +ATOM 41 O PRO A 8 5.019 -7.301 0.161 1.00 96.13 O +ATOM 42 CB PRO A 8 7.809 -6.471 1.654 1.00 95.30 C +ATOM 43 CG PRO A 8 8.372 -6.774 0.304 1.00 93.86 C +ATOM 44 CD PRO A 8 8.401 -8.277 0.225 1.00 95.92 C +HETATM 45 N HYP A 9 4.631 -6.357 2.120 1.00 96.58 N +HETATM 46 CA HYP A 9 3.409 -5.704 1.720 1.00 96.86 C +HETATM 47 C HYP A 9 3.631 -4.714 0.631 1.00 96.86 C +HETATM 48 O HYP A 9 4.706 -4.096 0.580 1.00 95.60 O +HETATM 49 CB HYP A 9 2.913 -5.012 3.031 1.00 94.59 C +HETATM 50 CG HYP A 9 3.530 -5.851 4.123 1.00 93.47 C +HETATM 51 CD HYP A 9 4.850 -6.249 3.556 1.00 95.07 C +HETATM 52 OD1 HYP A 9 2.771 -7.026 4.350 1.00 91.68 O +ATOM 53 N GLY A 10 2.651 -4.564 -0.257 1.00 97.04 N +ATOM 54 CA GLY A 10 2.763 -3.609 -1.329 1.00 97.05 C +ATOM 55 C GLY A 10 2.765 -2.185 -0.787 1.00 97.30 C +ATOM 56 O GLY A 10 2.558 -1.955 0.404 1.00 97.23 O +ATOM 57 N PRO A 11 2.998 -1.215 -1.672 1.00 96.74 N +ATOM 58 CA PRO A 11 3.031 0.181 -1.245 1.00 96.76 C +ATOM 59 C PRO A 11 1.636 0.693 -0.895 1.00 96.93 C +ATOM 60 O PRO A 11 0.632 0.134 -1.323 1.00 96.14 O +ATOM 61 CB PRO A 11 3.608 0.906 -2.459 1.00 95.67 C +ATOM 62 CG PRO A 11 3.165 0.056 -3.600 1.00 94.49 C +ATOM 63 CD PRO A 11 3.277 -1.361 -3.095 1.00 96.37 C +HETATM 64 N HYP A 12 1.565 1.741 -0.107 1.00 97.06 N +HETATM 65 CA HYP A 12 0.289 2.419 0.174 1.00 96.79 C +HETATM 66 C HYP A 12 -0.378 2.889 -1.078 1.00 96.86 C +HETATM 67 O HYP A 12 0.298 3.291 -2.039 1.00 95.83 O +HETATM 68 CB HYP A 12 0.729 3.598 1.066 1.00 95.81 C +HETATM 69 CG HYP A 12 2.021 3.137 1.723 1.00 94.43 C +HETATM 70 CD HYP A 12 2.665 2.326 0.647 1.00 95.57 C +HETATM 71 OD1 HYP A 12 1.752 2.284 2.824 1.00 93.33 O +ATOM 72 N GLY A 13 -1.711 2.856 -1.111 1.00 96.82 N +ATOM 73 CA GLY A 13 -2.455 3.361 -2.240 1.00 96.77 C +ATOM 74 C GLY A 13 -2.335 4.873 -2.322 1.00 96.91 C +ATOM 75 O GLY A 13 -1.799 5.516 -1.410 1.00 96.61 O +ATOM 76 N PRO A 14 -2.839 5.454 -3.401 1.00 96.34 N +ATOM 77 CA PRO A 14 -2.762 6.902 -3.547 1.00 96.08 C +ATOM 78 C PRO A 14 -3.701 7.600 -2.575 1.00 96.13 C +ATOM 79 O PRO A 14 -4.659 7.010 -2.087 1.00 95.12 O +ATOM 80 CB PRO A 14 -3.180 7.126 -5.002 1.00 94.61 C +ATOM 81 CG PRO A 14 -4.070 5.968 -5.287 1.00 93.59 C +ATOM 82 CD PRO A 14 -3.448 4.811 -4.553 1.00 95.54 C +HETATM 83 N HYP A 15 -3.418 8.871 -2.288 1.00 95.39 N +HETATM 84 CA HYP A 15 -4.330 9.659 -1.478 1.00 95.37 C +HETATM 85 C HYP A 15 -5.705 9.742 -2.052 1.00 95.88 C +HETATM 86 O HYP A 15 -5.860 9.724 -3.280 1.00 94.69 O +HETATM 87 CB HYP A 15 -3.631 11.028 -1.423 1.00 93.92 C +HETATM 88 CG HYP A 15 -2.163 10.726 -1.626 1.00 92.38 C +HETATM 89 CD HYP A 15 -2.205 9.588 -2.617 1.00 93.98 C +HETATM 90 OD1 HYP A 15 -1.552 10.244 -0.433 1.00 91.20 O +ATOM 91 N GLY A 16 -6.728 9.799 -1.227 1.00 94.72 N +ATOM 92 CA GLY A 16 -8.085 9.913 -1.698 1.00 94.66 C +ATOM 93 C GLY A 16 -8.314 11.265 -2.345 1.00 94.94 C +ATOM 94 O GLY A 16 -7.480 12.165 -2.244 1.00 94.51 O +ATOM 95 N PRO A 17 -9.447 11.430 -3.026 1.00 95.04 N +ATOM 96 CA PRO A 17 -9.744 12.701 -3.678 1.00 94.77 C +ATOM 97 C PRO A 17 -10.043 13.782 -2.655 1.00 94.80 C +ATOM 98 O PRO A 17 -10.413 13.493 -1.519 1.00 93.11 O +ATOM 99 CB PRO A 17 -10.965 12.379 -4.538 1.00 92.91 C +ATOM 100 CG PRO A 17 -11.634 11.281 -3.775 1.00 91.77 C +ATOM 101 CD PRO A 17 -10.501 10.446 -3.230 1.00 94.00 C +HETATM 102 N HYP A 18 -9.878 15.058 -3.035 1.00 92.69 N +HETATM 103 CA HYP A 18 -10.248 16.157 -2.185 1.00 94.07 C +HETATM 104 C HYP A 18 -11.688 16.124 -1.810 1.00 92.55 C +HETATM 105 O HYP A 18 -12.514 15.620 -2.567 1.00 91.31 O +HETATM 106 CB HYP A 18 -9.938 17.396 -3.077 1.00 91.91 C +HETATM 107 CG HYP A 18 -8.888 16.925 -4.011 1.00 88.69 C +HETATM 108 CD HYP A 18 -9.270 15.507 -4.250 1.00 91.08 C +HETATM 109 OD1 HYP A 18 -7.592 16.965 -3.401 1.00 88.41 O +ATOM 110 N GLY A 19 -12.027 16.615 -0.620 1.00 91.51 N +ATOM 111 CA GLY A 19 -13.394 16.650 -0.167 1.00 90.85 C +ATOM 112 C GLY A 19 -14.217 17.633 -0.992 1.00 90.43 C +ATOM 113 O GLY A 19 -13.679 18.356 -1.834 1.00 88.81 O +ATOM 114 N PRO A 20 -15.532 17.682 -0.758 1.00 89.96 N +ATOM 115 CA PRO A 20 -16.384 18.597 -1.507 1.00 90.05 C +ATOM 116 C PRO A 20 -16.100 20.055 -1.148 1.00 89.53 C +ATOM 117 O PRO A 20 -15.538 20.349 -0.090 1.00 84.54 O +ATOM 118 CB PRO A 20 -17.800 18.182 -1.100 1.00 85.73 C +ATOM 119 CG PRO A 20 -17.607 17.659 0.281 1.00 83.65 C +ATOM 120 CD PRO A 20 -16.285 16.922 0.224 1.00 86.20 C +ATOM 121 N PRO A 21 -16.473 20.989 -2.036 1.00 90.29 N +ATOM 122 CA PRO A 21 -16.239 22.401 -1.739 1.00 89.04 C +ATOM 123 C PRO A 21 -17.146 22.870 -0.596 1.00 86.89 C +ATOM 124 O PRO A 21 -18.122 22.186 -0.266 1.00 82.05 O +ATOM 125 CB PRO A 21 -16.559 23.101 -3.064 1.00 82.71 C +ATOM 126 CG PRO A 21 -17.555 22.197 -3.693 1.00 82.63 C +ATOM 127 CD PRO A 21 -17.075 20.811 -3.357 1.00 84.01 C +ATOM 128 OXT PRO A 21 -16.883 23.944 -0.012 1.00 74.81 O +TER 129 PRO A 21 +END diff --git a/protein_pdb_274.txt b/protein_pdb_274.txt new file mode 100644 index 0000000000000000000000000000000000000000..f92e54ee43cf98c19d5c9efcb694bfce873c5b6f --- /dev/null +++ b/protein_pdb_274.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -23.997 -12.983 26.355 1.00 86.14 N +ATOM 2 CA GLY A 1 -22.633 -13.415 26.077 1.00 89.40 C +ATOM 3 C GLY A 1 -21.732 -12.251 25.744 1.00 89.30 C +ATOM 4 O GLY A 1 -22.214 -11.138 25.516 1.00 87.20 O +ATOM 5 N PRO A 2 -20.430 -12.458 25.692 1.00 85.01 N +ATOM 6 CA PRO A 2 -19.492 -11.383 25.380 1.00 88.07 C +ATOM 7 C PRO A 2 -19.611 -10.944 23.927 1.00 88.11 C +ATOM 8 O PRO A 2 -20.057 -11.701 23.072 1.00 87.31 O +ATOM 9 CB PRO A 2 -18.120 -11.993 25.664 1.00 85.60 C +ATOM 10 CG PRO A 2 -18.329 -13.451 25.454 1.00 82.55 C +ATOM 11 CD PRO A 2 -19.734 -13.723 25.928 1.00 83.58 C +HETATM 12 N HYP A 3 -19.290 -9.776 23.678 1.00 87.77 N +HETATM 13 CA HYP A 3 -19.199 -9.226 22.294 1.00 85.85 C +HETATM 14 C HYP A 3 -18.301 -10.059 21.431 1.00 81.47 C +HETATM 15 O HYP A 3 -17.328 -10.689 21.899 1.00 87.16 O +HETATM 16 CB HYP A 3 -18.599 -7.842 22.558 1.00 81.67 C +HETATM 17 CG HYP A 3 -18.926 -7.492 23.978 1.00 80.46 C +HETATM 18 CD HYP A 3 -18.839 -8.833 24.684 1.00 82.01 C +HETATM 19 OD1 HYP A 3 -20.239 -6.983 24.106 1.00 86.32 O +ATOM 20 N GLY A 4 -18.590 -10.087 20.126 1.00 91.64 N +ATOM 21 CA GLY A 4 -17.759 -10.796 19.182 1.00 90.75 C +ATOM 22 C GLY A 4 -16.417 -10.108 18.994 1.00 89.62 C +ATOM 23 O GLY A 4 -16.219 -8.976 19.441 1.00 88.90 O +ATOM 24 N PRO A 5 -15.491 -10.770 18.324 1.00 91.71 N +ATOM 25 CA PRO A 5 -14.167 -10.186 18.097 1.00 91.47 C +ATOM 26 C PRO A 5 -14.238 -9.008 17.135 1.00 91.30 C +ATOM 27 O PRO A 5 -15.146 -8.911 16.317 1.00 90.44 O +ATOM 28 CB PRO A 5 -13.352 -11.341 17.511 1.00 89.29 C +ATOM 29 CG PRO A 5 -14.382 -12.199 16.859 1.00 87.97 C +ATOM 30 CD PRO A 5 -15.609 -12.098 17.735 1.00 89.52 C +HETATM 31 N HYP A 6 -13.321 -8.129 17.248 1.00 88.17 N +HETATM 32 CA HYP A 6 -13.179 -7.006 16.270 1.00 90.65 C +HETATM 33 C HYP A 6 -12.982 -7.495 14.890 1.00 88.09 C +HETATM 34 O HYP A 6 -12.364 -8.574 14.658 1.00 88.59 O +HETATM 35 CB HYP A 6 -11.883 -6.332 16.815 1.00 83.48 C +HETATM 36 CG HYP A 6 -11.826 -6.668 18.280 1.00 82.72 C +HETATM 37 CD HYP A 6 -12.365 -8.065 18.318 1.00 86.36 C +HETATM 38 OD1 HYP A 6 -12.667 -5.808 19.025 1.00 85.05 O +ATOM 39 N GLY A 7 -13.496 -6.735 13.899 1.00 91.21 N +ATOM 40 CA GLY A 7 -13.340 -7.074 12.509 1.00 90.16 C +ATOM 41 C GLY A 7 -11.897 -6.924 12.051 1.00 90.20 C +ATOM 42 O GLY A 7 -11.059 -6.377 12.768 1.00 90.04 O +ATOM 43 N PRO A 8 -11.605 -7.403 10.845 1.00 87.70 N +ATOM 44 CA PRO A 8 -10.242 -7.314 10.332 1.00 87.26 C +ATOM 45 C PRO A 8 -9.888 -5.889 9.949 1.00 86.71 C +ATOM 46 O PRO A 8 -10.754 -5.078 9.647 1.00 85.81 O +ATOM 47 CB PRO A 8 -10.269 -8.226 9.110 1.00 85.33 C +ATOM 48 CG PRO A 8 -11.680 -8.160 8.658 1.00 86.31 C +ATOM 49 CD PRO A 8 -12.506 -8.067 9.919 1.00 87.51 C +HETATM 50 N HYP A 9 -8.640 -5.585 9.935 1.00 87.58 N +HETATM 51 CA HYP A 9 -8.130 -4.305 9.489 1.00 87.79 C +HETATM 52 C HYP A 9 -8.411 -4.063 8.069 1.00 84.89 C +HETATM 53 O HYP A 9 -8.458 -5.009 7.268 1.00 83.01 O +HETATM 54 CB HYP A 9 -6.587 -4.464 9.706 1.00 84.74 C +HETATM 55 CG HYP A 9 -6.473 -5.468 10.804 1.00 82.90 C +HETATM 56 CD HYP A 9 -7.597 -6.387 10.516 1.00 86.10 C +HETATM 57 OD1 HYP A 9 -6.675 -4.843 12.066 1.00 83.19 O +ATOM 58 N GLY A 10 -8.581 -2.793 7.652 1.00 89.30 N +ATOM 59 CA GLY A 10 -8.781 -2.436 6.270 1.00 87.25 C +ATOM 60 C GLY A 10 -7.532 -2.679 5.436 1.00 86.74 C +ATOM 61 O GLY A 10 -6.444 -2.932 5.959 1.00 84.69 O +ATOM 62 N ASN A 11 -7.703 -2.599 4.119 1.00 84.86 N +ATOM 63 CA ASN A 11 -6.590 -2.808 3.204 1.00 84.28 C +ATOM 64 C ASN A 11 -5.673 -1.589 3.173 1.00 81.44 C +ATOM 65 O ASN A 11 -6.107 -0.462 3.400 1.00 77.76 O +ATOM 66 CB ASN A 11 -7.103 -3.089 1.794 1.00 80.94 C +ATOM 67 CG ASN A 11 -7.913 -4.354 1.707 1.00 77.56 C +ATOM 68 OD1 ASN A 11 -7.601 -5.348 2.362 1.00 73.83 O +ATOM 69 ND2 ASN A 11 -8.955 -4.337 0.894 1.00 72.18 N +ATOM 70 N VAL A 12 -4.400 -1.832 2.857 1.00 83.17 N +ATOM 71 CA VAL A 12 -3.461 -0.746 2.653 1.00 82.78 C +ATOM 72 C VAL A 12 -3.873 -0.003 1.386 1.00 82.05 C +ATOM 73 O VAL A 12 -4.303 -0.621 0.411 1.00 77.41 O +ATOM 74 CB VAL A 12 -2.020 -1.286 2.534 1.00 79.30 C +ATOM 75 CG1 VAL A 12 -1.033 -0.164 2.242 1.00 74.77 C +ATOM 76 CG2 VAL A 12 -1.625 -2.000 3.810 1.00 73.94 C +ATOM 77 N GLY A 13 -3.767 1.315 1.434 1.00 84.56 N +ATOM 78 CA GLY A 13 -4.138 2.117 0.282 1.00 83.50 C +ATOM 79 C GLY A 13 -3.238 1.897 -0.916 1.00 84.11 C +ATOM 80 O GLY A 13 -2.197 1.236 -0.824 1.00 85.74 O +ATOM 81 N PRO A 14 -3.616 2.447 -2.079 1.00 81.73 N +ATOM 82 CA PRO A 14 -2.827 2.264 -3.292 1.00 83.87 C +ATOM 83 C PRO A 14 -1.504 3.008 -3.223 1.00 82.72 C +ATOM 84 O PRO A 14 -1.350 3.963 -2.475 1.00 83.75 O +ATOM 85 CB PRO A 14 -3.723 2.828 -4.393 1.00 82.66 C +ATOM 86 CG PRO A 14 -4.553 3.843 -3.682 1.00 82.16 C +ATOM 87 CD PRO A 14 -4.801 3.261 -2.313 1.00 82.81 C +HETATM 88 N HYP A 15 -0.565 2.586 -4.047 1.00 75.28 N +HETATM 89 CA HYP A 15 0.733 3.243 -4.159 1.00 72.75 C +HETATM 90 C HYP A 15 0.605 4.680 -4.658 1.00 75.15 C +HETATM 91 O HYP A 15 -0.348 5.013 -5.383 1.00 72.03 O +HETATM 92 CB HYP A 15 1.398 2.407 -5.267 1.00 73.25 C +HETATM 93 CG HYP A 15 0.724 1.063 -5.182 1.00 73.83 C +HETATM 94 CD HYP A 15 -0.677 1.417 -4.853 1.00 79.18 C +HETATM 95 OD1 HYP A 15 1.270 0.298 -4.150 1.00 82.55 O +ATOM 96 N GLY A 16 1.475 5.519 -4.182 1.00 91.74 N +ATOM 97 CA GLY A 16 1.483 6.878 -4.652 1.00 90.09 C +ATOM 98 C GLY A 16 1.926 6.948 -6.103 1.00 90.23 C +ATOM 99 O GLY A 16 2.371 5.954 -6.682 1.00 90.52 O +ATOM 100 N PRO A 17 1.815 8.144 -6.716 1.00 82.52 N +ATOM 101 CA PRO A 17 2.215 8.295 -8.109 1.00 83.66 C +ATOM 102 C PRO A 17 3.728 8.186 -8.271 1.00 83.22 C +ATOM 103 O PRO A 17 4.483 8.439 -7.340 1.00 83.24 O +ATOM 104 CB PRO A 17 1.716 9.689 -8.478 1.00 82.06 C +ATOM 105 CG PRO A 17 1.703 10.411 -7.174 1.00 80.87 C +ATOM 106 CD PRO A 17 1.308 9.384 -6.151 1.00 81.86 C +HETATM 107 N HYP A 18 4.170 7.819 -9.472 1.00 79.85 N +HETATM 108 CA HYP A 18 5.583 7.774 -9.781 1.00 85.07 C +HETATM 109 C HYP A 18 6.222 9.143 -9.708 1.00 79.65 C +HETATM 110 O HYP A 18 5.577 10.175 -9.996 1.00 87.86 O +HETATM 111 CB HYP A 18 5.559 7.297 -11.246 1.00 79.21 C +HETATM 112 CG HYP A 18 4.288 6.515 -11.396 1.00 77.78 C +HETATM 113 CD HYP A 18 3.351 7.253 -10.520 1.00 81.41 C +HETATM 114 OD1 HYP A 18 4.449 5.209 -10.925 1.00 86.04 O +ATOM 115 N GLY A 19 7.463 9.186 -9.242 1.00 88.92 N +ATOM 116 CA GLY A 19 8.194 10.420 -9.166 1.00 87.16 C +ATOM 117 C GLY A 19 8.534 10.941 -10.554 1.00 87.42 C +ATOM 118 O GLY A 19 8.351 10.240 -11.556 1.00 87.81 O +ATOM 119 N PRO A 20 9.043 12.171 -10.637 1.00 82.31 N +ATOM 120 CA PRO A 20 9.403 12.743 -11.934 1.00 83.18 C +ATOM 121 C PRO A 20 10.643 12.078 -12.501 1.00 82.81 C +ATOM 122 O PRO A 20 11.443 11.495 -11.777 1.00 82.57 O +ATOM 123 CB PRO A 20 9.651 14.215 -11.607 1.00 80.43 C +ATOM 124 CG PRO A 20 10.091 14.190 -10.183 1.00 77.95 C +ATOM 125 CD PRO A 20 9.293 13.087 -9.534 1.00 80.11 C +HETATM 126 N HYP A 21 10.839 12.158 -13.837 1.00 87.76 N +HETATM 127 CA HYP A 21 12.031 11.660 -14.475 1.00 83.79 C +HETATM 128 C HYP A 21 13.294 12.331 -14.009 1.00 85.79 C +HETATM 129 O HYP A 21 13.272 13.518 -13.635 1.00 90.20 O +HETATM 130 CB HYP A 21 11.768 12.034 -15.948 1.00 86.09 C +HETATM 131 CG HYP A 21 10.281 12.074 -16.094 1.00 80.56 C +HETATM 132 CD HYP A 21 9.846 12.614 -14.778 1.00 83.70 C +HETATM 133 OD1 HYP A 21 9.756 10.776 -16.257 1.00 87.80 O +ATOM 134 N GLY A 22 14.392 11.624 -13.929 1.00 86.44 N +ATOM 135 CA GLY A 22 15.656 12.187 -13.542 1.00 84.88 C +ATOM 136 C GLY A 22 16.148 13.179 -14.582 1.00 84.60 C +ATOM 137 O GLY A 22 15.572 13.305 -15.661 1.00 83.33 O +ATOM 138 N PRO A 23 17.247 13.887 -14.302 1.00 86.63 N +ATOM 139 CA PRO A 23 17.778 14.863 -15.251 1.00 87.08 C +ATOM 140 C PRO A 23 18.345 14.174 -16.479 1.00 86.44 C +ATOM 141 O PRO A 23 18.785 13.023 -16.418 1.00 82.90 O +ATOM 142 CB PRO A 23 18.851 15.598 -14.455 1.00 82.41 C +ATOM 143 CG PRO A 23 19.280 14.600 -13.442 1.00 79.06 C +ATOM 144 CD PRO A 23 18.044 13.820 -13.087 1.00 80.20 C +HETATM 145 N HYP A 24 18.457 14.863 -17.629 1.00 85.99 N +HETATM 146 CA HYP A 24 18.952 14.240 -18.822 1.00 86.11 C +HETATM 147 C HYP A 24 20.407 13.849 -18.712 1.00 84.26 C +HETATM 148 O HYP A 24 21.142 14.561 -18.013 1.00 87.47 O +HETATM 149 CB HYP A 24 18.840 15.373 -19.922 1.00 87.95 C +HETATM 150 CG HYP A 24 17.879 16.358 -19.363 1.00 86.28 C +HETATM 151 CD HYP A 24 18.031 16.221 -17.846 1.00 88.29 C +HETATM 152 OD1 HYP A 24 16.576 15.984 -19.731 1.00 82.03 O +HETATM 153 OXT HYP A 24 20.750 12.833 -19.353 1.00 80.98 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_275.txt b/protein_pdb_275.txt new file mode 100644 index 0000000000000000000000000000000000000000..2d440fa3f422d8fddccd72309a9b2aedf21c2e91 --- /dev/null +++ b/protein_pdb_275.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -9.758 13.694 2.538 1.00 93.04 N +ATOM 2 CA GLY A 1 -9.885 12.577 1.665 1.00 94.01 C +ATOM 3 C GLY A 1 -9.848 11.241 2.378 1.00 94.40 C +ATOM 4 O GLY A 1 -9.399 11.153 3.519 1.00 92.93 O +ATOM 5 N PRO A 2 -10.268 10.223 1.711 1.00 93.24 N +ATOM 6 CA PRO A 2 -10.276 8.894 2.288 1.00 93.65 C +ATOM 7 C PRO A 2 -8.892 8.281 2.328 1.00 93.43 C +ATOM 8 O PRO A 2 -7.974 8.749 1.655 1.00 92.21 O +ATOM 9 CB PRO A 2 -11.197 8.119 1.349 1.00 90.81 C +ATOM 10 CG PRO A 2 -11.005 8.799 0.043 1.00 87.57 C +ATOM 11 CD PRO A 2 -10.819 10.252 0.369 1.00 90.46 C +HETATM 12 N HYP A 3 -8.773 7.221 3.127 1.00 94.55 N +HETATM 13 CA HYP A 3 -7.503 6.512 3.169 1.00 91.78 C +HETATM 14 C HYP A 3 -7.157 5.894 1.821 1.00 94.58 C +HETATM 15 O HYP A 3 -8.083 5.535 1.045 1.00 94.41 O +HETATM 16 CB HYP A 3 -7.805 5.369 4.207 1.00 91.75 C +HETATM 17 CG HYP A 3 -8.887 5.957 5.097 1.00 89.64 C +HETATM 18 CD HYP A 3 -9.740 6.785 4.087 1.00 92.09 C +HETATM 19 OD1 HYP A 3 -8.294 6.821 6.020 1.00 90.95 O +ATOM 20 N GLY A 4 -5.903 5.846 1.509 1.00 93.61 N +ATOM 21 CA GLY A 4 -5.457 5.246 0.284 1.00 93.07 C +ATOM 22 C GLY A 4 -5.653 3.742 0.300 1.00 93.50 C +ATOM 23 O GLY A 4 -5.981 3.149 1.333 1.00 93.65 O +ATOM 24 N PRO A 5 -5.438 3.096 -0.848 1.00 93.34 N +ATOM 25 CA PRO A 5 -5.598 1.650 -0.932 1.00 93.49 C +ATOM 26 C PRO A 5 -4.461 0.930 -0.221 1.00 93.20 C +ATOM 27 O PRO A 5 -3.407 1.507 0.036 1.00 92.30 O +ATOM 28 CB PRO A 5 -5.576 1.380 -2.431 1.00 91.62 C +ATOM 29 CG PRO A 5 -4.732 2.483 -2.974 1.00 89.81 C +ATOM 30 CD PRO A 5 -5.036 3.676 -2.124 1.00 92.53 C +HETATM 31 N HYP A 6 -4.715 -0.359 0.091 1.00 94.06 N +HETATM 32 CA HYP A 6 -3.664 -1.187 0.657 1.00 94.15 C +HETATM 33 C HYP A 6 -2.478 -1.284 -0.273 1.00 94.65 C +HETATM 34 O HYP A 6 -2.633 -1.173 -1.514 1.00 93.81 O +HETATM 35 CB HYP A 6 -4.374 -2.557 0.788 1.00 91.48 C +HETATM 36 CG HYP A 6 -5.835 -2.222 0.934 1.00 90.58 C +HETATM 37 CD HYP A 6 -6.002 -1.028 -0.018 1.00 92.31 C +HETATM 38 OD1 HYP A 6 -6.087 -1.823 2.258 1.00 89.38 O +ATOM 39 N GLY A 7 -1.306 -1.409 0.268 1.00 93.83 N +ATOM 40 CA GLY A 7 -0.113 -1.557 -0.518 1.00 93.45 C +ATOM 41 C GLY A 7 -0.112 -2.859 -1.293 1.00 93.74 C +ATOM 42 O GLY A 7 -0.938 -3.743 -1.063 1.00 93.25 O +ATOM 43 N PRO A 8 0.819 -2.989 -2.216 1.00 93.70 N +ATOM 44 CA PRO A 8 0.888 -4.191 -3.029 1.00 93.75 C +ATOM 45 C PRO A 8 1.309 -5.418 -2.237 1.00 93.72 C +ATOM 46 O PRO A 8 2.050 -5.311 -1.262 1.00 91.77 O +ATOM 47 CB PRO A 8 1.936 -3.876 -4.098 1.00 91.74 C +ATOM 48 CG PRO A 8 2.313 -2.465 -3.907 1.00 90.34 C +ATOM 49 CD PRO A 8 1.845 -2.020 -2.572 1.00 92.41 C +HETATM 50 N HYP A 9 0.837 -6.594 -2.728 1.00 93.89 N +HETATM 51 CA HYP A 9 1.239 -7.836 -2.142 1.00 92.65 C +HETATM 52 C HYP A 9 2.702 -8.081 -2.438 1.00 94.08 C +HETATM 53 O HYP A 9 3.241 -7.557 -3.396 1.00 92.47 O +HETATM 54 CB HYP A 9 0.468 -8.921 -2.945 1.00 90.54 C +HETATM 55 CG HYP A 9 -0.653 -8.203 -3.591 1.00 89.78 C +HETATM 56 CD HYP A 9 -0.153 -6.804 -3.811 1.00 91.78 C +HETATM 57 OD1 HYP A 9 -1.747 -8.146 -2.690 1.00 89.12 O +ATOM 58 N GLY A 10 3.427 -8.852 -1.790 1.00 92.55 N +ATOM 59 CA GLY A 10 4.791 -9.170 -2.131 1.00 91.49 C +ATOM 60 C GLY A 10 5.271 -10.430 -1.443 1.00 91.47 C +ATOM 61 O GLY A 10 4.610 -10.985 -0.569 1.00 90.09 O +ATOM 62 N MET A 11 6.446 -10.872 -1.845 1.00 91.22 N +ATOM 63 CA MET A 11 7.060 -12.063 -1.272 1.00 92.52 C +ATOM 64 C MET A 11 7.325 -11.882 0.215 1.00 92.28 C +ATOM 65 O MET A 11 7.382 -12.860 0.954 1.00 88.06 O +ATOM 66 CB MET A 11 8.387 -12.357 -1.973 1.00 90.41 C +ATOM 67 CG MET A 11 8.251 -12.641 -3.450 1.00 86.91 C +ATOM 68 SD MET A 11 7.653 -14.289 -3.776 1.00 80.47 S +ATOM 69 CE MET A 11 9.115 -15.248 -3.410 1.00 72.77 C +ATOM 70 N GLU A 12 7.519 -10.646 0.630 1.00 91.02 N +ATOM 71 CA GLU A 12 7.913 -10.357 1.997 1.00 91.98 C +ATOM 72 C GLU A 12 6.744 -10.011 2.911 1.00 91.79 C +ATOM 73 O GLU A 12 6.960 -9.655 4.072 1.00 87.10 O +ATOM 74 CB GLU A 12 8.941 -9.231 2.003 1.00 88.44 C +ATOM 75 CG GLU A 12 10.175 -9.591 1.198 1.00 81.65 C +ATOM 76 CD GLU A 12 11.247 -8.526 1.215 1.00 76.19 C +ATOM 77 OE1 GLU A 12 11.325 -7.773 2.200 1.00 70.43 O +ATOM 78 OE2 GLU A 12 12.000 -8.457 0.243 1.00 71.89 O +ATOM 79 N GLY A 13 5.529 -10.115 2.422 1.00 94.07 N +ATOM 80 CA GLY A 13 4.406 -9.845 3.293 1.00 93.38 C +ATOM 81 C GLY A 13 3.112 -9.591 2.562 1.00 94.03 C +ATOM 82 O GLY A 13 3.072 -9.529 1.331 1.00 93.49 O +ATOM 83 N PRO A 14 2.049 -9.459 3.324 1.00 94.40 N +ATOM 84 CA PRO A 14 0.734 -9.185 2.769 1.00 94.66 C +ATOM 85 C PRO A 14 0.636 -7.745 2.288 1.00 94.61 C +ATOM 86 O PRO A 14 1.585 -6.976 2.397 1.00 93.02 O +ATOM 87 CB PRO A 14 -0.201 -9.453 3.943 1.00 93.16 C +ATOM 88 CG PRO A 14 0.609 -9.084 5.133 1.00 91.69 C +ATOM 89 CD PRO A 14 2.011 -9.494 4.796 1.00 93.46 C +HETATM 90 N HYP A 15 -0.562 -7.420 1.767 1.00 94.47 N +HETATM 91 CA HYP A 15 -0.776 -6.058 1.353 1.00 94.97 C +HETATM 92 C HYP A 15 -0.452 -5.093 2.443 1.00 95.38 C +HETATM 93 O HYP A 15 -0.675 -5.410 3.651 1.00 93.87 O +HETATM 94 CB HYP A 15 -2.276 -6.010 1.014 1.00 92.18 C +HETATM 95 CG HYP A 15 -2.605 -7.422 0.632 1.00 90.74 C +HETATM 96 CD HYP A 15 -1.745 -8.248 1.584 1.00 92.69 C +HETATM 97 OD1 HYP A 15 -2.222 -7.646 -0.673 1.00 89.82 O +ATOM 98 N GLY A 16 0.101 -3.977 2.095 1.00 95.24 N +ATOM 99 CA GLY A 16 0.408 -2.960 3.065 1.00 95.27 C +ATOM 100 C GLY A 16 -0.851 -2.340 3.625 1.00 95.81 C +ATOM 101 O GLY A 16 -1.957 -2.590 3.145 1.00 95.46 O +ATOM 102 N PRO A 17 -0.686 -1.523 4.650 1.00 92.53 N +ATOM 103 CA PRO A 17 -1.835 -0.850 5.246 1.00 93.15 C +ATOM 104 C PRO A 17 -2.381 0.216 4.311 1.00 93.42 C +ATOM 105 O PRO A 17 -1.722 0.637 3.364 1.00 92.08 O +ATOM 106 CB PRO A 17 -1.262 -0.240 6.520 1.00 91.31 C +ATOM 107 CG PRO A 17 0.173 -0.051 6.225 1.00 89.35 C +ATOM 108 CD PRO A 17 0.568 -1.175 5.311 1.00 91.56 C +HETATM 109 N HYP A 18 -3.621 0.632 4.592 1.00 92.87 N +HETATM 110 CA HYP A 18 -4.180 1.714 3.851 1.00 91.25 C +HETATM 111 C HYP A 18 -3.349 2.953 3.903 1.00 93.96 C +HETATM 112 O HYP A 18 -2.678 3.210 4.937 1.00 91.91 O +HETATM 113 CB HYP A 18 -5.557 1.908 4.543 1.00 89.69 C +HETATM 114 CG HYP A 18 -5.901 0.537 5.106 1.00 88.44 C +HETATM 115 CD HYP A 18 -4.538 0.046 5.564 1.00 91.66 C +HETATM 116 OD1 HYP A 18 -6.396 -0.288 4.082 1.00 89.03 O +ATOM 117 N GLY A 19 -3.305 3.676 2.837 1.00 91.33 N +ATOM 118 CA GLY A 19 -2.569 4.907 2.794 1.00 91.18 C +ATOM 119 C GLY A 19 -3.166 5.939 3.726 1.00 91.30 C +ATOM 120 O GLY A 19 -4.247 5.749 4.279 1.00 91.84 O +ATOM 121 N PRO A 20 -2.458 7.034 3.905 1.00 89.13 N +ATOM 122 CA PRO A 20 -2.941 8.080 4.794 1.00 90.06 C +ATOM 123 C PRO A 20 -4.150 8.793 4.214 1.00 89.71 C +ATOM 124 O PRO A 20 -4.365 8.801 3.007 1.00 89.17 O +ATOM 125 CB PRO A 20 -1.744 9.019 4.914 1.00 87.88 C +ATOM 126 CG PRO A 20 -1.006 8.820 3.642 1.00 85.68 C +ATOM 127 CD PRO A 20 -1.182 7.374 3.294 1.00 88.69 C +HETATM 128 N HYP A 21 -4.911 9.383 5.100 1.00 93.65 N +HETATM 129 CA HYP A 21 -6.019 10.179 4.673 1.00 90.96 C +HETATM 130 C HYP A 21 -5.606 11.359 3.837 1.00 93.27 C +HETATM 131 O HYP A 21 -4.524 11.915 4.064 1.00 93.42 O +HETATM 132 CB HYP A 21 -6.627 10.695 6.011 1.00 90.14 C +HETATM 133 CG HYP A 21 -6.198 9.698 7.062 1.00 88.10 C +HETATM 134 CD HYP A 21 -4.823 9.271 6.575 1.00 92.28 C +HETATM 135 OD1 HYP A 21 -7.068 8.570 7.009 1.00 87.59 O +ATOM 136 N GLY A 22 -6.339 11.665 2.838 1.00 92.80 N +ATOM 137 CA GLY A 22 -6.086 12.850 2.075 1.00 91.79 C +ATOM 138 C GLY A 22 -6.481 14.080 2.883 1.00 91.82 C +ATOM 139 O GLY A 22 -7.056 13.965 3.966 1.00 91.25 O +ATOM 140 N PRO A 23 -6.191 15.269 2.377 1.00 93.51 N +ATOM 141 CA PRO A 23 -6.587 16.482 3.076 1.00 93.59 C +ATOM 142 C PRO A 23 -8.086 16.692 2.919 1.00 92.32 C +ATOM 143 O PRO A 23 -8.568 16.941 1.816 1.00 88.73 O +ATOM 144 CB PRO A 23 -5.771 17.571 2.381 1.00 91.05 C +ATOM 145 CG PRO A 23 -5.512 17.037 1.021 1.00 88.44 C +ATOM 146 CD PRO A 23 -5.454 15.536 1.154 1.00 91.75 C +HETATM 147 N HYP A 24 -8.807 16.437 3.916 1.00 95.36 N +HETATM 148 CA HYP A 24 -10.250 16.041 3.751 1.00 90.93 C +HETATM 149 C HYP A 24 -10.635 14.852 3.181 1.00 94.69 C +HETATM 150 O HYP A 24 -11.602 14.844 2.258 1.00 92.91 O +HETATM 151 CB HYP A 24 -10.971 16.633 4.916 1.00 90.54 C +HETATM 152 CG HYP A 24 -10.000 17.528 5.593 1.00 90.16 C +HETATM 153 CD HYP A 24 -8.594 17.267 5.009 1.00 93.07 C +HETATM 154 OD1 HYP A 24 -10.268 18.235 6.641 1.00 90.32 O +HETATM 155 OXT HYP A 24 -10.937 13.760 4.024 1.00 88.59 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_276.txt b/protein_pdb_276.txt new file mode 100644 index 0000000000000000000000000000000000000000..d14d24b2e2ee4145efcfe02175259406aa4539b7 --- /dev/null +++ b/protein_pdb_276.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 10.041 -7.612 -7.660 1.00 88.24 N +ATOM 2 CA GLY A 1 9.400 -6.519 -8.358 1.00 89.40 C +ATOM 3 C GLY A 1 9.312 -5.291 -7.494 1.00 90.10 C +ATOM 4 O GLY A 1 9.760 -5.294 -6.352 1.00 88.42 O +ATOM 5 N PRO A 2 8.672 -4.193 -7.993 1.00 88.31 N +ATOM 6 CA PRO A 2 8.564 -2.954 -7.246 1.00 89.17 C +ATOM 7 C PRO A 2 7.573 -3.055 -6.100 1.00 88.81 C +ATOM 8 O PRO A 2 6.744 -3.950 -6.049 1.00 86.99 O +ATOM 9 CB PRO A 2 8.089 -1.952 -8.299 1.00 85.87 C +ATOM 10 CG PRO A 2 7.346 -2.786 -9.274 1.00 81.95 C +ATOM 11 CD PRO A 2 8.079 -4.093 -9.329 1.00 83.92 C +HETATM 12 N HYP A 3 7.698 -2.124 -5.216 1.00 89.17 N +HETATM 13 CA HYP A 3 6.729 -2.048 -4.109 1.00 86.65 C +HETATM 14 C HYP A 3 5.332 -1.832 -4.631 1.00 90.27 C +HETATM 15 O HYP A 3 5.145 -1.242 -5.714 1.00 92.01 O +HETATM 16 CB HYP A 3 7.222 -0.776 -3.360 1.00 89.04 C +HETATM 17 CG HYP A 3 8.716 -0.698 -3.681 1.00 86.98 C +HETATM 18 CD HYP A 3 8.760 -1.156 -5.161 1.00 89.48 C +HETATM 19 OD1 HYP A 3 9.391 -1.644 -2.898 1.00 87.70 O +ATOM 20 N GLY A 4 4.388 -2.378 -3.909 1.00 91.34 N +ATOM 21 CA GLY A 4 3.012 -2.204 -4.278 1.00 91.15 C +ATOM 22 C GLY A 4 2.575 -0.760 -4.116 1.00 92.02 C +ATOM 23 O GLY A 4 3.302 0.072 -3.570 1.00 93.00 O +ATOM 24 N PRO A 5 1.379 -0.458 -4.587 1.00 90.31 N +ATOM 25 CA PRO A 5 0.870 0.901 -4.482 1.00 90.57 C +ATOM 26 C PRO A 5 0.496 1.250 -3.054 1.00 90.50 C +ATOM 27 O PRO A 5 0.333 0.381 -2.210 1.00 90.23 O +ATOM 28 CB PRO A 5 -0.355 0.881 -5.388 1.00 89.11 C +ATOM 29 CG PRO A 5 -0.819 -0.529 -5.323 1.00 87.06 C +ATOM 30 CD PRO A 5 0.427 -1.355 -5.237 1.00 89.26 C +HETATM 31 N HYP A 6 0.378 2.563 -2.822 1.00 91.77 N +HETATM 32 CA HYP A 6 -0.081 2.995 -1.529 1.00 92.35 C +HETATM 33 C HYP A 6 -1.443 2.458 -1.216 1.00 92.99 C +HETATM 34 O HYP A 6 -2.275 2.243 -2.135 1.00 92.50 O +HETATM 35 CB HYP A 6 -0.136 4.540 -1.719 1.00 88.51 C +HETATM 36 CG HYP A 6 0.882 4.818 -2.798 1.00 87.31 C +HETATM 37 CD HYP A 6 0.688 3.642 -3.732 1.00 90.91 C +HETATM 38 OD1 HYP A 6 2.170 4.758 -2.232 1.00 89.42 O +ATOM 39 N GLY A 7 -1.655 2.178 0.033 1.00 92.61 N +ATOM 40 CA GLY A 7 -2.941 1.710 0.473 1.00 91.66 C +ATOM 41 C GLY A 7 -4.006 2.770 0.294 1.00 92.10 C +ATOM 42 O GLY A 7 -3.720 3.916 -0.058 1.00 92.04 O +ATOM 43 N PRO A 8 -5.234 2.381 0.530 1.00 92.20 N +ATOM 44 CA PRO A 8 -6.328 3.325 0.371 1.00 92.16 C +ATOM 45 C PRO A 8 -6.322 4.371 1.466 1.00 92.11 C +ATOM 46 O PRO A 8 -5.762 4.179 2.534 1.00 90.87 O +ATOM 47 CB PRO A 8 -7.571 2.441 0.462 1.00 90.29 C +ATOM 48 CG PRO A 8 -7.137 1.309 1.317 1.00 88.88 C +ATOM 49 CD PRO A 8 -5.693 1.067 0.961 1.00 90.83 C +HETATM 50 N HYP A 9 -6.977 5.487 1.175 1.00 89.28 N +HETATM 51 CA HYP A 9 -7.116 6.510 2.147 1.00 90.09 C +HETATM 52 C HYP A 9 -7.966 6.031 3.295 1.00 90.19 C +HETATM 53 O HYP A 9 -8.900 5.229 3.099 1.00 89.70 O +HETATM 54 CB HYP A 9 -7.898 7.612 1.373 1.00 84.88 C +HETATM 55 CG HYP A 9 -7.632 7.336 -0.063 1.00 84.05 C +HETATM 56 CD HYP A 9 -7.527 5.867 -0.148 1.00 88.83 C +HETATM 57 OD1 HYP A 9 -6.375 7.885 -0.411 1.00 85.98 O +ATOM 58 N GLY A 10 -7.657 6.422 4.484 1.00 92.88 N +ATOM 59 CA GLY A 10 -8.545 6.194 5.600 1.00 90.75 C +ATOM 60 C GLY A 10 -9.788 7.043 5.429 1.00 91.16 C +ATOM 61 O GLY A 10 -9.896 7.855 4.504 1.00 89.82 O +ATOM 62 N MET A 11 -10.728 6.876 6.338 1.00 91.74 N +ATOM 63 CA MET A 11 -11.964 7.645 6.242 1.00 93.33 C +ATOM 64 C MET A 11 -11.671 9.141 6.131 1.00 93.67 C +ATOM 65 O MET A 11 -12.336 9.854 5.385 1.00 90.92 O +ATOM 66 CB MET A 11 -12.846 7.348 7.445 1.00 91.90 C +ATOM 67 CG MET A 11 -14.241 7.885 7.308 1.00 87.15 C +ATOM 68 SD MET A 11 -15.333 7.283 8.599 1.00 80.66 S +ATOM 69 CE MET A 11 -15.501 5.582 8.117 1.00 74.28 C +ATOM 70 N THR A 12 -10.673 9.595 6.859 1.00 92.74 N +ATOM 71 CA THR A 12 -10.221 10.985 6.790 1.00 93.58 C +ATOM 72 C THR A 12 -8.705 11.065 6.859 1.00 93.64 C +ATOM 73 O THR A 12 -8.154 12.093 7.255 1.00 90.78 O +ATOM 74 CB THR A 12 -10.819 11.826 7.942 1.00 91.72 C +ATOM 75 OG1 THR A 12 -10.423 11.248 9.181 1.00 88.12 O +ATOM 76 CG2 THR A 12 -12.337 11.872 7.877 1.00 85.41 C +ATOM 77 N GLY A 13 -8.017 10.017 6.480 1.00 94.56 N +ATOM 78 CA GLY A 13 -6.585 9.942 6.690 1.00 93.90 C +ATOM 79 C GLY A 13 -5.784 9.711 5.430 1.00 94.51 C +ATOM 80 O GLY A 13 -6.331 9.573 4.341 1.00 94.43 O +ATOM 81 N PRO A 14 -4.479 9.685 5.584 1.00 92.93 N +ATOM 82 CA PRO A 14 -3.584 9.500 4.448 1.00 92.67 C +ATOM 83 C PRO A 14 -3.648 8.082 3.912 1.00 92.82 C +ATOM 84 O PRO A 14 -4.142 7.172 4.567 1.00 91.50 O +ATOM 85 CB PRO A 14 -2.209 9.810 5.025 1.00 91.06 C +ATOM 86 CG PRO A 14 -2.331 9.420 6.449 1.00 89.80 C +ATOM 87 CD PRO A 14 -3.730 9.788 6.843 1.00 91.08 C +HETATM 88 N HYP A 15 -3.101 7.969 2.738 1.00 92.68 N +HETATM 89 CA HYP A 15 -2.975 6.637 2.154 1.00 92.45 C +HETATM 90 C HYP A 15 -2.111 5.763 2.990 1.00 93.65 C +HETATM 91 O HYP A 15 -1.230 6.258 3.733 1.00 92.62 O +HETATM 92 CB HYP A 15 -2.286 6.981 0.816 1.00 89.28 C +HETATM 93 CG HYP A 15 -2.677 8.411 0.528 1.00 85.66 C +HETATM 94 CD HYP A 15 -2.659 9.044 1.888 1.00 91.22 C +HETATM 95 OD1 HYP A 15 -3.970 8.468 -0.008 1.00 89.00 O +ATOM 96 N GLY A 16 -2.378 4.492 2.928 1.00 94.64 N +ATOM 97 CA GLY A 16 -1.552 3.546 3.613 1.00 94.49 C +ATOM 98 C GLY A 16 -0.179 3.453 2.982 1.00 95.13 C +ATOM 99 O GLY A 16 0.082 4.057 1.940 1.00 95.05 O +ATOM 100 N PRO A 17 0.705 2.699 3.617 1.00 90.82 N +ATOM 101 CA PRO A 17 2.053 2.552 3.084 1.00 90.26 C +ATOM 102 C PRO A 17 2.066 1.708 1.826 1.00 90.82 C +ATOM 103 O PRO A 17 1.131 0.973 1.544 1.00 89.97 O +ATOM 104 CB PRO A 17 2.802 1.870 4.222 1.00 88.84 C +ATOM 105 CG PRO A 17 1.750 1.103 4.934 1.00 87.83 C +ATOM 106 CD PRO A 17 0.511 1.938 4.844 1.00 89.08 C +HETATM 107 N HYP A 18 3.150 1.852 1.056 1.00 87.35 N +HETATM 108 CA HYP A 18 3.332 1.003 -0.065 1.00 88.57 C +HETATM 109 C HYP A 18 3.341 -0.439 0.300 1.00 90.75 C +HETATM 110 O HYP A 18 3.736 -0.801 1.428 1.00 90.12 O +HETATM 111 CB HYP A 18 4.730 1.437 -0.577 1.00 85.23 C +HETATM 112 CG HYP A 18 4.868 2.877 -0.131 1.00 84.09 C +HETATM 113 CD HYP A 18 4.180 2.835 1.224 1.00 88.88 C +HETATM 114 OD1 HYP A 18 4.129 3.715 -1.013 1.00 86.97 O +ATOM 115 N GLY A 19 2.867 -1.252 -0.586 1.00 90.02 N +ATOM 116 CA GLY A 19 2.898 -2.667 -0.388 1.00 89.96 C +ATOM 117 C GLY A 19 4.321 -3.189 -0.408 1.00 90.52 C +ATOM 118 O GLY A 19 5.265 -2.470 -0.730 1.00 91.44 O +ATOM 119 N PRO A 20 4.475 -4.455 -0.061 1.00 82.61 N +ATOM 120 CA PRO A 20 5.797 -5.045 -0.055 1.00 83.08 C +ATOM 121 C PRO A 20 6.327 -5.230 -1.467 1.00 82.41 C +ATOM 122 O PRO A 20 5.571 -5.214 -2.431 1.00 85.15 O +ATOM 123 CB PRO A 20 5.575 -6.392 0.631 1.00 81.25 C +ATOM 124 CG PRO A 20 4.162 -6.712 0.338 1.00 77.97 C +ATOM 125 CD PRO A 20 3.438 -5.398 0.334 1.00 79.07 C +HETATM 126 N HYP A 21 7.634 -5.380 -1.537 1.00 87.76 N +HETATM 127 CA HYP A 21 8.226 -5.664 -2.816 1.00 84.69 C +HETATM 128 C HYP A 21 7.684 -6.906 -3.462 1.00 87.19 C +HETATM 129 O HYP A 21 7.316 -7.845 -2.757 1.00 91.40 O +HETATM 130 CB HYP A 21 9.711 -5.869 -2.473 1.00 83.80 C +HETATM 131 CG HYP A 21 9.917 -5.092 -1.193 1.00 78.28 C +HETATM 132 CD HYP A 21 8.611 -5.284 -0.457 1.00 85.99 C +HETATM 133 OD1 HYP A 21 10.025 -3.686 -1.504 1.00 83.67 O +ATOM 134 N GLY A 22 7.487 -6.859 -4.756 1.00 89.04 N +ATOM 135 CA GLY A 22 7.049 -8.012 -5.478 1.00 87.28 C +ATOM 136 C GLY A 22 8.137 -9.072 -5.511 1.00 87.20 C +ATOM 137 O GLY A 22 9.232 -8.873 -4.985 1.00 87.44 O +ATOM 138 N PRO A 23 7.848 -10.200 -6.134 1.00 89.53 N +ATOM 139 CA PRO A 23 8.856 -11.249 -6.222 1.00 88.98 C +ATOM 140 C PRO A 23 10.032 -10.796 -7.062 1.00 87.34 C +ATOM 141 O PRO A 23 9.901 -9.937 -7.928 1.00 84.42 O +ATOM 142 CB PRO A 23 8.099 -12.408 -6.871 1.00 85.63 C +ATOM 143 CG PRO A 23 7.015 -11.748 -7.632 1.00 82.22 C +ATOM 144 CD PRO A 23 6.621 -10.540 -6.828 1.00 85.00 C +HETATM 145 N HYP A 24 11.134 -11.278 -6.863 1.00 90.89 N +HETATM 146 CA HYP A 24 12.327 -10.774 -7.550 1.00 82.41 C +HETATM 147 C HYP A 24 12.101 -9.759 -8.562 1.00 88.16 C +HETATM 148 O HYP A 24 13.049 -9.068 -8.992 1.00 83.54 O +HETATM 149 CB HYP A 24 13.185 -11.944 -7.756 1.00 84.39 C +HETATM 150 CG HYP A 24 12.756 -12.953 -6.711 1.00 84.39 C +HETATM 151 CD HYP A 24 11.295 -12.632 -6.426 1.00 89.33 C +HETATM 152 OD1 HYP A 24 13.469 -12.732 -5.484 1.00 85.37 O +HETATM 153 OXT HYP A 24 11.033 -9.691 -9.166 1.00 82.15 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_277.txt b/protein_pdb_277.txt new file mode 100644 index 0000000000000000000000000000000000000000..813c7b7472b18eb7e1031e5d8aa4832f5d449d10 --- /dev/null +++ b/protein_pdb_277.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 7.947 -14.820 -2.088 1.00 93.04 N +ATOM 2 CA GLY A 1 7.724 -13.931 -3.184 1.00 92.91 C +ATOM 3 C GLY A 1 8.029 -12.482 -2.864 1.00 93.40 C +ATOM 4 O GLY A 1 8.257 -12.128 -1.707 1.00 92.18 O +ATOM 5 N PRO A 2 8.014 -11.660 -3.854 1.00 92.74 N +ATOM 6 CA PRO A 2 8.306 -10.246 -3.681 1.00 92.85 C +ATOM 7 C PRO A 2 7.125 -9.490 -3.106 1.00 92.93 C +ATOM 8 O PRO A 2 6.018 -10.003 -3.022 1.00 91.41 O +ATOM 9 CB PRO A 2 8.611 -9.794 -5.109 1.00 90.38 C +ATOM 10 CG PRO A 2 7.742 -10.680 -5.941 1.00 86.59 C +ATOM 11 CD PRO A 2 7.740 -12.012 -5.243 1.00 89.56 C +HETATM 12 N HYP A 3 7.391 -8.261 -2.722 1.00 91.45 N +HETATM 13 CA HYP A 3 6.324 -7.400 -2.230 1.00 91.88 C +HETATM 14 C HYP A 3 5.243 -7.179 -3.282 1.00 93.68 C +HETATM 15 O HYP A 3 5.553 -7.196 -4.487 1.00 94.23 O +HETATM 16 CB HYP A 3 7.062 -6.066 -1.920 1.00 90.67 C +HETATM 17 CG HYP A 3 8.476 -6.510 -1.595 1.00 88.14 C +HETATM 18 CD HYP A 3 8.690 -7.675 -2.598 1.00 90.19 C +HETATM 19 OD1 HYP A 3 8.485 -7.000 -0.295 1.00 90.41 O +ATOM 20 N GLY A 4 4.041 -7.054 -2.835 1.00 94.01 N +ATOM 21 CA GLY A 4 2.952 -6.766 -3.725 1.00 93.47 C +ATOM 22 C GLY A 4 3.045 -5.353 -4.274 1.00 93.90 C +ATOM 23 O GLY A 4 3.865 -4.549 -3.837 1.00 94.30 O +ATOM 24 N PRO A 5 2.194 -5.033 -5.234 1.00 93.44 N +ATOM 25 CA PRO A 5 2.206 -3.705 -5.825 1.00 92.99 C +ATOM 26 C PRO A 5 1.650 -2.657 -4.870 1.00 92.80 C +ATOM 27 O PRO A 5 0.963 -2.978 -3.910 1.00 91.99 O +ATOM 28 CB PRO A 5 1.313 -3.859 -7.051 1.00 91.21 C +ATOM 29 CG PRO A 5 0.359 -4.934 -6.656 1.00 88.64 C +ATOM 30 CD PRO A 5 1.154 -5.884 -5.815 1.00 91.73 C +HETATM 31 N HYP A 6 1.993 -1.380 -5.155 1.00 92.96 N +HETATM 32 CA HYP A 6 1.410 -0.310 -4.411 1.00 94.25 C +HETATM 33 C HYP A 6 -0.092 -0.289 -4.486 1.00 93.95 C +HETATM 34 O HYP A 6 -0.679 -0.719 -5.523 1.00 94.51 O +HETATM 35 CB HYP A 6 2.008 0.960 -5.080 1.00 91.65 C +HETATM 36 CG HYP A 6 3.309 0.478 -5.612 1.00 90.27 C +HETATM 37 CD HYP A 6 2.974 -0.916 -6.094 1.00 92.29 C +HETATM 38 OD1 HYP A 6 4.245 0.423 -4.575 1.00 91.20 O +ATOM 39 N GLY A 7 -0.709 0.086 -3.427 1.00 92.83 N +ATOM 40 CA GLY A 7 -2.138 0.233 -3.416 1.00 92.05 C +ATOM 41 C GLY A 7 -2.583 1.340 -4.345 1.00 92.54 C +ATOM 42 O GLY A 7 -1.777 2.120 -4.847 1.00 92.57 O +ATOM 43 N PRO A 8 -3.875 1.410 -4.592 1.00 93.70 N +ATOM 44 CA PRO A 8 -4.391 2.444 -5.474 1.00 93.25 C +ATOM 45 C PRO A 8 -4.312 3.816 -4.823 1.00 93.12 C +ATOM 46 O PRO A 8 -4.213 3.948 -3.611 1.00 92.39 O +ATOM 47 CB PRO A 8 -5.838 2.024 -5.703 1.00 91.65 C +ATOM 48 CG PRO A 8 -6.189 1.265 -4.481 1.00 89.90 C +ATOM 49 CD PRO A 8 -4.931 0.562 -4.059 1.00 92.18 C +HETATM 50 N HYP A 9 -4.352 4.874 -5.676 1.00 93.49 N +HETATM 51 CA HYP A 9 -4.391 6.183 -5.173 1.00 93.75 C +HETATM 52 C HYP A 9 -5.591 6.438 -4.319 1.00 94.28 C +HETATM 53 O HYP A 9 -6.679 5.892 -4.558 1.00 94.43 O +HETATM 54 CB HYP A 9 -4.460 7.084 -6.453 1.00 91.71 C +HETATM 55 CG HYP A 9 -3.860 6.262 -7.499 1.00 90.61 C +HETATM 56 CD HYP A 9 -4.249 4.863 -7.143 1.00 92.80 C +HETATM 57 OD1 HYP A 9 -2.458 6.399 -7.405 1.00 91.13 O +ATOM 58 N GLY A 10 -5.455 7.166 -3.268 1.00 93.90 N +ATOM 59 CA GLY A 10 -6.579 7.650 -2.519 1.00 92.69 C +ATOM 60 C GLY A 10 -7.365 8.645 -3.347 1.00 92.77 C +ATOM 61 O GLY A 10 -7.011 8.962 -4.483 1.00 91.17 O +ATOM 62 N ARG A 11 -8.426 9.142 -2.763 1.00 91.57 N +ATOM 63 CA ARG A 11 -9.275 10.081 -3.483 1.00 91.62 C +ATOM 64 C ARG A 11 -8.466 11.255 -4.040 1.00 91.48 C +ATOM 65 O ARG A 11 -8.688 11.676 -5.182 1.00 89.28 O +ATOM 66 CB ARG A 11 -10.384 10.567 -2.547 1.00 90.14 C +ATOM 67 CG ARG A 11 -11.458 11.357 -3.249 1.00 85.97 C +ATOM 68 CD ARG A 11 -12.607 11.624 -2.297 1.00 80.98 C +ATOM 69 NE ARG A 11 -13.700 12.307 -2.959 1.00 78.20 N +ATOM 70 CZ ARG A 11 -14.850 12.608 -2.377 1.00 74.13 C +ATOM 71 NH1 ARG A 11 -15.052 12.296 -1.110 1.00 71.66 N +ATOM 72 NH2 ARG A 11 -15.787 13.236 -3.057 1.00 70.92 N +ATOM 73 N CYS A 12 -7.530 11.751 -3.244 1.00 93.22 N +ATOM 74 CA CYS A 12 -6.579 12.782 -3.659 1.00 94.83 C +ATOM 75 C CYS A 12 -5.186 12.445 -3.162 1.00 95.39 C +ATOM 76 O CYS A 12 -4.326 13.326 -3.070 1.00 92.42 O +ATOM 77 CB CYS A 12 -6.994 14.158 -3.115 1.00 92.23 C +ATOM 78 SG CYS A 12 -8.585 14.733 -3.734 1.00 85.41 S +ATOM 79 N GLY A 13 -4.959 11.210 -2.825 1.00 95.17 N +ATOM 80 CA GLY A 13 -3.764 10.821 -2.114 1.00 95.11 C +ATOM 81 C GLY A 13 -2.844 9.913 -2.904 1.00 95.63 C +ATOM 82 O GLY A 13 -3.164 9.485 -4.011 1.00 95.19 O +ATOM 83 N PRO A 14 -1.701 9.624 -2.322 1.00 95.70 N +ATOM 84 CA PRO A 14 -0.710 8.792 -2.978 1.00 95.66 C +ATOM 85 C PRO A 14 -1.110 7.326 -2.972 1.00 95.81 C +ATOM 86 O PRO A 14 -2.024 6.918 -2.268 1.00 95.17 O +ATOM 87 CB PRO A 14 0.543 9.017 -2.136 1.00 94.73 C +ATOM 88 CG PRO A 14 0.004 9.268 -0.772 1.00 93.11 C +ATOM 89 CD PRO A 14 -1.264 10.040 -0.984 1.00 94.37 C +HETATM 90 N HYP A 15 -0.394 6.580 -3.764 1.00 94.87 N +HETATM 91 CA HYP A 15 -0.553 5.152 -3.735 1.00 94.77 C +HETATM 92 C HYP A 15 -0.320 4.572 -2.376 1.00 95.98 C +HETATM 93 O HYP A 15 0.482 5.142 -1.579 1.00 95.42 O +HETATM 94 CB HYP A 15 0.543 4.698 -4.738 1.00 92.82 C +HETATM 95 CG HYP A 15 0.711 5.867 -5.677 1.00 91.30 C +HETATM 96 CD HYP A 15 0.558 7.053 -4.753 1.00 94.31 C +HETATM 97 OD1 HYP A 15 -0.308 5.831 -6.637 1.00 92.40 O +ATOM 98 N GLY A 16 -0.979 3.519 -2.080 1.00 95.84 N +ATOM 99 CA GLY A 16 -0.721 2.807 -0.860 1.00 95.47 C +ATOM 100 C GLY A 16 0.640 2.149 -0.891 1.00 95.61 C +ATOM 101 O GLY A 16 1.319 2.120 -1.917 1.00 95.39 O +ATOM 102 N PRO A 17 1.047 1.622 0.248 1.00 95.23 N +ATOM 103 CA PRO A 17 2.343 0.963 0.323 1.00 94.65 C +ATOM 104 C PRO A 17 2.334 -0.366 -0.414 1.00 94.82 C +ATOM 105 O PRO A 17 1.275 -0.918 -0.707 1.00 94.11 O +ATOM 106 CB PRO A 17 2.549 0.774 1.822 1.00 93.28 C +ATOM 107 CG PRO A 17 1.170 0.678 2.363 1.00 91.36 C +ATOM 108 CD PRO A 17 0.339 1.600 1.526 1.00 93.22 C +HETATM 109 N HYP A 18 3.536 -0.841 -0.715 1.00 92.87 N +HETATM 110 CA HYP A 18 3.643 -2.154 -1.270 1.00 94.25 C +HETATM 111 C HYP A 18 3.031 -3.202 -0.397 1.00 94.76 C +HETATM 112 O HYP A 18 3.023 -3.073 0.844 1.00 94.57 O +HETATM 113 CB HYP A 18 5.172 -2.338 -1.413 1.00 92.08 C +HETATM 114 CG HYP A 18 5.696 -0.933 -1.546 1.00 90.95 C +HETATM 115 CD HYP A 18 4.796 -0.146 -0.612 1.00 93.28 C +HETATM 116 OD1 HYP A 18 5.511 -0.510 -2.880 1.00 90.71 O +ATOM 117 N GLY A 19 2.489 -4.200 -0.999 1.00 93.13 N +ATOM 118 CA GLY A 19 1.971 -5.317 -0.269 1.00 92.98 C +ATOM 119 C GLY A 19 3.080 -6.084 0.427 1.00 93.20 C +ATOM 120 O GLY A 19 4.261 -5.838 0.200 1.00 93.66 O +ATOM 121 N PRO A 20 2.691 -7.012 1.273 1.00 92.53 N +ATOM 122 CA PRO A 20 3.687 -7.810 1.975 1.00 91.76 C +ATOM 123 C PRO A 20 4.372 -8.784 1.040 1.00 91.61 C +ATOM 124 O PRO A 20 3.892 -9.055 -0.056 1.00 91.42 O +ATOM 125 CB PRO A 20 2.855 -8.537 3.030 1.00 89.65 C +ATOM 126 CG PRO A 20 1.511 -8.653 2.404 1.00 86.61 C +ATOM 127 CD PRO A 20 1.328 -7.401 1.601 1.00 89.19 C +HETATM 128 N HYP A 21 5.528 -9.277 1.491 1.00 92.35 N +HETATM 129 CA HYP A 21 6.178 -10.306 0.746 1.00 92.86 C +HETATM 130 C HYP A 21 5.316 -11.503 0.482 1.00 93.07 C +HETATM 131 O HYP A 21 4.511 -11.860 1.351 1.00 94.52 O +HETATM 132 CB HYP A 21 7.417 -10.674 1.551 1.00 91.08 C +HETATM 133 CG HYP A 21 7.727 -9.433 2.361 1.00 88.54 C +HETATM 134 CD HYP A 21 6.345 -8.884 2.667 1.00 92.43 C +HETATM 135 OD1 HYP A 21 8.426 -8.504 1.536 1.00 89.87 O +ATOM 136 N GLY A 22 5.360 -12.017 -0.700 1.00 93.30 N +ATOM 137 CA GLY A 22 4.627 -13.202 -1.029 1.00 92.19 C +ATOM 138 C GLY A 22 5.163 -14.395 -0.259 1.00 92.32 C +ATOM 139 O GLY A 22 6.209 -14.315 0.380 1.00 92.21 O +ATOM 140 N PRO A 23 4.462 -15.519 -0.319 1.00 95.01 N +ATOM 141 CA PRO A 23 4.937 -16.714 0.365 1.00 94.79 C +ATOM 142 C PRO A 23 6.135 -17.288 -0.382 1.00 93.82 C +ATOM 143 O PRO A 23 5.988 -17.791 -1.493 1.00 91.31 O +ATOM 144 CB PRO A 23 3.729 -17.639 0.333 1.00 92.46 C +ATOM 145 CG PRO A 23 2.938 -17.189 -0.835 1.00 88.94 C +ATOM 146 CD PRO A 23 3.195 -15.718 -0.991 1.00 92.76 C +HETATM 147 N HYP A 24 7.280 -17.077 0.039 1.00 94.26 N +HETATM 148 CA HYP A 24 8.551 -17.037 -0.751 1.00 91.33 C +HETATM 149 C HYP A 24 8.700 -16.214 -1.838 1.00 94.49 C +HETATM 150 O HYP A 24 8.698 -16.752 -3.013 1.00 93.80 O +HETATM 151 CB HYP A 24 9.602 -17.432 0.238 1.00 91.28 C +HETATM 152 CG HYP A 24 8.853 -18.283 1.283 1.00 89.15 C +HETATM 153 CD HYP A 24 7.391 -17.802 1.219 1.00 92.66 C +HETATM 154 OD1 HYP A 24 9.352 -18.059 2.570 1.00 91.68 O +HETATM 155 OXT HYP A 24 9.852 -15.504 -1.927 1.00 90.15 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_278.txt b/protein_pdb_278.txt new file mode 100644 index 0000000000000000000000000000000000000000..dad2e4424121cf65364e22e238fae246028f10d4 --- /dev/null +++ b/protein_pdb_278.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 23.663 -25.099 -8.116 1.00 89.94 N +ATOM 2 CA GLY A 1 23.958 -23.766 -7.595 1.00 92.34 C +ATOM 3 C GLY A 1 22.874 -23.287 -6.665 1.00 92.32 C +ATOM 4 O GLY A 1 21.815 -23.906 -6.570 1.00 90.49 O +ATOM 5 N PRO A 2 23.079 -22.172 -5.971 1.00 94.23 N +ATOM 6 CA PRO A 2 22.077 -21.646 -5.046 1.00 95.29 C +ATOM 7 C PRO A 2 20.858 -21.090 -5.777 1.00 95.41 C +ATOM 8 O PRO A 2 20.944 -20.697 -6.933 1.00 94.45 O +ATOM 9 CB PRO A 2 22.823 -20.539 -4.291 1.00 94.36 C +ATOM 10 CG PRO A 2 23.852 -20.083 -5.270 1.00 91.55 C +ATOM 11 CD PRO A 2 24.276 -21.340 -6.001 1.00 92.69 C +HETATM 12 N HYP A 3 19.816 -21.097 -5.161 1.00 92.95 N +HETATM 13 CA HYP A 3 18.512 -20.469 -5.668 1.00 92.25 C +HETATM 14 C HYP A 3 18.652 -18.978 -5.969 1.00 92.39 C +HETATM 15 O HYP A 3 19.455 -18.286 -5.332 1.00 94.19 O +HETATM 16 CB HYP A 3 17.578 -20.729 -4.499 1.00 92.40 C +HETATM 17 CG HYP A 3 18.157 -21.917 -3.694 1.00 89.19 C +HETATM 18 CD HYP A 3 19.675 -21.677 -3.823 1.00 91.86 C +HETATM 19 OD1 HYP A 3 17.820 -23.135 -4.284 1.00 92.47 O +ATOM 20 N GLY A 4 17.874 -18.486 -6.906 1.00 94.70 N +ATOM 21 CA GLY A 4 17.867 -17.082 -7.220 1.00 93.68 C +ATOM 22 C GLY A 4 17.163 -16.287 -6.126 1.00 93.31 C +ATOM 23 O GLY A 4 16.522 -16.863 -5.245 1.00 93.48 O +ATOM 24 N PRO A 5 17.248 -14.957 -6.183 1.00 94.60 N +ATOM 25 CA PRO A 5 16.617 -14.117 -5.168 1.00 94.66 C +ATOM 26 C PRO A 5 15.101 -14.101 -5.308 1.00 94.54 C +ATOM 27 O PRO A 5 14.566 -14.375 -6.382 1.00 94.37 O +ATOM 28 CB PRO A 5 17.220 -12.738 -5.424 1.00 93.82 C +ATOM 29 CG PRO A 5 17.501 -12.754 -6.893 1.00 91.78 C +ATOM 30 CD PRO A 5 17.959 -14.165 -7.178 1.00 92.99 C +HETATM 31 N HYP A 6 14.433 -13.805 -4.237 1.00 91.96 N +HETATM 32 CA HYP A 6 12.950 -13.595 -4.261 1.00 95.06 C +HETATM 33 C HYP A 6 12.544 -12.477 -5.203 1.00 89.29 C +HETATM 34 O HYP A 6 13.316 -11.510 -5.410 1.00 92.93 O +HETATM 35 CB HYP A 6 12.636 -13.242 -2.790 1.00 86.39 C +HETATM 36 CG HYP A 6 13.762 -13.817 -1.945 1.00 86.91 C +HETATM 37 CD HYP A 6 14.951 -13.677 -2.878 1.00 87.64 C +HETATM 38 OD1 HYP A 6 13.523 -15.177 -1.644 1.00 90.75 O +ATOM 39 N GLY A 7 11.336 -12.558 -5.758 1.00 94.20 N +ATOM 40 CA GLY A 7 10.811 -11.522 -6.617 1.00 92.86 C +ATOM 41 C GLY A 7 10.502 -10.259 -5.826 1.00 92.62 C +ATOM 42 O GLY A 7 10.532 -10.258 -4.594 1.00 92.59 O +ATOM 43 N PRO A 8 10.189 -9.166 -6.531 1.00 94.00 N +ATOM 44 CA PRO A 8 9.891 -7.904 -5.855 1.00 93.66 C +ATOM 45 C PRO A 8 8.568 -7.957 -5.104 1.00 93.63 C +ATOM 46 O PRO A 8 7.687 -8.744 -5.431 1.00 92.68 O +ATOM 47 CB PRO A 8 9.850 -6.890 -6.992 1.00 92.45 C +ATOM 48 CG PRO A 8 9.434 -7.710 -8.168 1.00 91.95 C +ATOM 49 CD PRO A 8 10.106 -9.053 -7.966 1.00 93.63 C +HETATM 50 N HYP A 9 8.395 -7.111 -4.107 1.00 89.35 N +HETATM 51 CA HYP A 9 7.168 -6.980 -3.362 1.00 89.99 C +HETATM 52 C HYP A 9 6.021 -6.541 -4.236 1.00 86.45 C +HETATM 53 O HYP A 9 6.198 -5.756 -5.185 1.00 87.73 O +HETATM 54 CB HYP A 9 7.501 -5.880 -2.310 1.00 85.31 C +HETATM 55 CG HYP A 9 8.994 -5.917 -2.156 1.00 84.04 C +HETATM 56 CD HYP A 9 9.455 -6.279 -3.537 1.00 87.59 C +HETATM 57 OD1 HYP A 9 9.368 -6.926 -1.238 1.00 85.01 O +ATOM 58 N GLY A 10 4.804 -6.951 -3.875 1.00 91.10 N +ATOM 59 CA GLY A 10 3.618 -6.515 -4.571 1.00 88.49 C +ATOM 60 C GLY A 10 3.393 -5.026 -4.366 1.00 87.41 C +ATOM 61 O GLY A 10 3.912 -4.416 -3.428 1.00 85.78 O +ATOM 62 N LYS A 11 2.577 -4.420 -5.255 1.00 91.29 N +ATOM 63 CA LYS A 11 2.295 -2.986 -5.166 1.00 91.00 C +ATOM 64 C LYS A 11 1.400 -2.692 -3.958 1.00 90.26 C +ATOM 65 O LYS A 11 0.524 -3.474 -3.608 1.00 87.43 O +ATOM 66 CB LYS A 11 1.631 -2.493 -6.444 1.00 88.52 C +ATOM 67 CG LYS A 11 2.565 -2.503 -7.650 1.00 83.33 C +ATOM 68 CD LYS A 11 1.886 -1.963 -8.878 1.00 79.47 C +ATOM 69 CE LYS A 11 2.829 -1.973 -10.072 1.00 74.98 C +ATOM 70 NZ LYS A 11 2.173 -1.461 -11.297 1.00 68.97 N +ATOM 71 N LYS A 12 1.640 -1.535 -3.334 1.00 89.00 N +ATOM 72 CA LYS A 12 0.841 -1.109 -2.188 1.00 90.09 C +ATOM 73 C LYS A 12 -0.584 -0.828 -2.651 1.00 91.12 C +ATOM 74 O LYS A 12 -0.801 -0.312 -3.752 1.00 87.44 O +ATOM 75 CB LYS A 12 1.478 0.141 -1.558 1.00 85.70 C +ATOM 76 CG LYS A 12 0.821 0.587 -0.258 1.00 80.34 C +ATOM 77 CD LYS A 12 1.582 1.746 0.373 1.00 77.34 C +ATOM 78 CE LYS A 12 0.975 2.181 1.698 1.00 73.22 C +ATOM 79 NZ LYS A 12 1.746 3.269 2.316 1.00 68.88 N +ATOM 80 N GLY A 13 -1.540 -1.195 -1.789 1.00 89.89 N +ATOM 81 CA GLY A 13 -2.938 -0.975 -2.117 1.00 88.44 C +ATOM 82 C GLY A 13 -3.295 0.502 -2.164 1.00 89.14 C +ATOM 83 O GLY A 13 -2.494 1.356 -1.770 1.00 88.64 O +ATOM 84 N PRO A 14 -4.514 0.827 -2.633 1.00 89.92 N +ATOM 85 CA PRO A 14 -4.943 2.225 -2.735 1.00 90.85 C +ATOM 86 C PRO A 14 -5.155 2.856 -1.366 1.00 90.82 C +ATOM 87 O PRO A 14 -5.370 2.167 -0.378 1.00 89.57 O +ATOM 88 CB PRO A 14 -6.248 2.138 -3.517 1.00 89.93 C +ATOM 89 CG PRO A 14 -6.773 0.778 -3.196 1.00 89.10 C +ATOM 90 CD PRO A 14 -5.543 -0.092 -3.106 1.00 89.48 C +HETATM 91 N HYP A 15 -5.132 4.202 -1.299 1.00 85.55 N +HETATM 92 CA HYP A 15 -5.386 4.962 -0.114 1.00 80.15 C +HETATM 93 C HYP A 15 -6.810 4.715 0.458 1.00 85.37 C +HETATM 94 O HYP A 15 -7.714 4.348 -0.324 1.00 83.22 O +HETATM 95 CB HYP A 15 -5.209 6.394 -0.583 1.00 82.52 C +HETATM 96 CG HYP A 15 -4.293 6.294 -1.784 1.00 81.97 C +HETATM 97 CD HYP A 15 -4.726 4.993 -2.392 1.00 84.75 C +HETATM 98 OD1 HYP A 15 -2.957 6.226 -1.378 1.00 84.49 O +ATOM 99 N GLY A 16 -6.978 4.840 1.716 1.00 91.62 N +ATOM 100 CA GLY A 16 -8.281 4.701 2.312 1.00 90.05 C +ATOM 101 C GLY A 16 -9.178 5.874 1.949 1.00 90.34 C +ATOM 102 O GLY A 16 -8.722 6.861 1.367 1.00 91.24 O +ATOM 103 N PRO A 17 -10.471 5.781 2.301 1.00 90.03 N +ATOM 104 CA PRO A 17 -11.417 6.844 1.980 1.00 90.98 C +ATOM 105 C PRO A 17 -11.173 8.096 2.821 1.00 91.23 C +ATOM 106 O PRO A 17 -10.593 8.025 3.898 1.00 91.64 O +ATOM 107 CB PRO A 17 -12.771 6.224 2.285 1.00 90.57 C +ATOM 108 CG PRO A 17 -12.466 5.240 3.362 1.00 88.51 C +ATOM 109 CD PRO A 17 -11.116 4.679 2.995 1.00 88.64 C +HETATM 110 N HYP A 18 -11.620 9.250 2.367 1.00 88.28 N +HETATM 111 CA HYP A 18 -11.593 10.484 3.090 1.00 91.19 C +HETATM 112 C HYP A 18 -12.427 10.428 4.389 1.00 87.09 C +HETATM 113 O HYP A 18 -13.363 9.621 4.492 1.00 89.87 O +HETATM 114 CB HYP A 18 -12.220 11.475 2.119 1.00 88.99 C +HETATM 115 CG HYP A 18 -11.994 10.907 0.745 1.00 86.13 C +HETATM 116 CD HYP A 18 -12.075 9.419 1.014 1.00 89.44 C +HETATM 117 OD1 HYP A 18 -10.727 11.240 0.254 1.00 90.59 O +ATOM 118 N GLY A 19 -12.084 11.222 5.347 1.00 93.03 N +ATOM 119 CA GLY A 19 -12.826 11.296 6.577 1.00 92.09 C +ATOM 120 C GLY A 19 -14.195 11.908 6.347 1.00 92.00 C +ATOM 121 O GLY A 19 -14.494 12.412 5.264 1.00 91.91 O +ATOM 122 N PRO A 20 -15.051 11.882 7.374 1.00 94.02 N +ATOM 123 CA PRO A 20 -16.399 12.430 7.250 1.00 93.69 C +ATOM 124 C PRO A 20 -16.387 13.948 7.132 1.00 93.50 C +ATOM 125 O PRO A 20 -15.456 14.609 7.573 1.00 92.46 O +ATOM 126 CB PRO A 20 -17.085 11.962 8.534 1.00 92.00 C +ATOM 127 CG PRO A 20 -15.966 11.842 9.505 1.00 89.07 C +ATOM 128 CD PRO A 20 -14.804 11.324 8.698 1.00 90.69 C +HETATM 129 N HYP A 21 -17.424 14.538 6.580 1.00 91.55 N +HETATM 130 CA HYP A 21 -17.597 15.972 6.446 1.00 90.69 C +HETATM 131 C HYP A 21 -17.761 16.694 7.806 1.00 89.58 C +HETATM 132 O HYP A 21 -18.219 16.078 8.779 1.00 93.71 O +HETATM 133 CB HYP A 21 -18.973 16.099 5.698 1.00 90.14 C +HETATM 134 CG HYP A 21 -19.121 14.819 4.921 1.00 86.98 C +HETATM 135 CD HYP A 21 -18.460 13.804 5.841 1.00 91.84 C +HETATM 136 OD1 HYP A 21 -18.364 14.893 3.722 1.00 91.87 O +ATOM 137 N GLY A 22 -17.331 17.914 7.889 1.00 93.64 N +ATOM 138 CA GLY A 22 -17.487 18.698 9.081 1.00 92.96 C +ATOM 139 C GLY A 22 -18.955 19.027 9.322 1.00 93.20 C +ATOM 140 O GLY A 22 -19.812 18.702 8.504 1.00 92.57 O +ATOM 141 N PRO A 23 -19.277 19.722 10.423 1.00 94.04 N +ATOM 142 CA PRO A 23 -20.664 20.058 10.731 1.00 94.37 C +ATOM 143 C PRO A 23 -21.212 21.082 9.757 1.00 93.60 C +ATOM 144 O PRO A 23 -20.464 21.856 9.158 1.00 91.69 O +ATOM 145 CB PRO A 23 -20.585 20.605 12.156 1.00 92.95 C +ATOM 146 CG PRO A 23 -19.205 21.154 12.252 1.00 90.10 C +ATOM 147 CD PRO A 23 -18.358 20.196 11.445 1.00 92.43 C +HETATM 148 N HYP A 24 -22.561 21.199 9.623 1.00 93.35 N +HETATM 149 CA HYP A 24 -23.133 22.174 8.676 1.00 88.94 C +HETATM 150 C HYP A 24 -22.781 23.603 9.020 1.00 88.97 C +HETATM 151 O HYP A 24 -23.560 24.487 9.268 1.00 90.38 O +HETATM 152 CB HYP A 24 -24.668 21.975 8.839 1.00 91.11 C +HETATM 153 CG HYP A 24 -24.869 20.646 9.449 1.00 87.02 C +HETATM 154 CD HYP A 24 -23.595 20.430 10.282 1.00 91.78 C +HETATM 155 OD1 HYP A 24 -24.917 19.673 8.439 1.00 87.59 O +HETATM 156 OXT HYP A 24 -21.590 23.788 9.040 1.00 86.68 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_279.txt b/protein_pdb_279.txt new file mode 100644 index 0000000000000000000000000000000000000000..190788023b4ede22046451779c27ad4e734b0b79 --- /dev/null +++ b/protein_pdb_279.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 10.094 0.780 -11.531 1.00 79.84 N +ATOM 2 CA GLY A 1 9.773 2.059 -10.922 1.00 82.21 C +ATOM 3 C GLY A 1 9.697 1.938 -9.422 1.00 83.90 C +ATOM 4 O GLY A 1 9.895 0.852 -8.871 1.00 80.10 O +ATOM 5 N PRO A 2 9.400 3.024 -8.747 1.00 85.14 N +ATOM 6 CA PRO A 2 9.323 2.994 -7.290 1.00 86.55 C +ATOM 7 C PRO A 2 8.123 2.206 -6.799 1.00 87.13 C +ATOM 8 O PRO A 2 7.171 1.970 -7.530 1.00 84.76 O +ATOM 9 CB PRO A 2 9.225 4.474 -6.922 1.00 83.10 C +ATOM 10 CG PRO A 2 8.529 5.067 -8.095 1.00 79.37 C +ATOM 11 CD PRO A 2 9.132 4.359 -9.274 1.00 81.03 C +HETATM 12 N HYP A 3 8.210 1.787 -5.601 1.00 82.85 N +HETATM 13 CA HYP A 3 7.061 1.120 -4.966 1.00 83.08 C +HETATM 14 C HYP A 3 5.849 1.997 -4.992 1.00 85.68 C +HETATM 15 O HYP A 3 5.981 3.243 -4.946 1.00 89.73 O +HETATM 16 CB HYP A 3 7.561 0.887 -3.518 1.00 84.99 C +HETATM 17 CG HYP A 3 9.050 0.812 -3.630 1.00 80.74 C +HETATM 18 CD HYP A 3 9.337 1.866 -4.725 1.00 84.77 C +HETATM 19 OD1 HYP A 3 9.402 -0.458 -4.109 1.00 85.78 O +ATOM 20 N GLY A 4 4.709 1.360 -5.097 1.00 90.01 N +ATOM 21 CA GLY A 4 3.477 2.087 -5.104 1.00 89.37 C +ATOM 22 C GLY A 4 3.232 2.707 -3.741 1.00 89.90 C +ATOM 23 O GLY A 4 3.931 2.410 -2.778 1.00 89.45 O +ATOM 24 N PRO A 5 2.232 3.585 -3.652 1.00 89.84 N +ATOM 25 CA PRO A 5 1.927 4.234 -2.383 1.00 89.49 C +ATOM 26 C PRO A 5 1.296 3.262 -1.402 1.00 89.90 C +ATOM 27 O PRO A 5 0.790 2.213 -1.781 1.00 88.13 O +ATOM 28 CB PRO A 5 0.969 5.343 -2.784 1.00 87.25 C +ATOM 29 CG PRO A 5 0.268 4.771 -3.971 1.00 85.73 C +ATOM 30 CD PRO A 5 1.349 4.045 -4.714 1.00 87.95 C +HETATM 31 N HYP A 6 1.356 3.627 -0.143 1.00 88.46 N +HETATM 32 CA HYP A 6 0.697 2.818 0.873 1.00 92.35 C +HETATM 33 C HYP A 6 -0.779 2.726 0.636 1.00 89.15 C +HETATM 34 O HYP A 6 -1.391 3.679 0.095 1.00 90.00 O +HETATM 35 CB HYP A 6 0.974 3.685 2.150 1.00 87.60 C +HETATM 36 CG HYP A 6 2.235 4.442 1.842 1.00 85.39 C +HETATM 37 CD HYP A 6 2.067 4.749 0.377 1.00 87.73 C +HETATM 38 OD1 HYP A 6 3.342 3.577 2.022 1.00 86.77 O +ATOM 39 N GLY A 7 -1.326 1.592 0.963 1.00 90.63 N +ATOM 40 CA GLY A 7 -2.735 1.386 0.792 1.00 88.65 C +ATOM 41 C GLY A 7 -3.501 2.255 1.768 1.00 89.14 C +ATOM 42 O GLY A 7 -2.921 2.878 2.656 1.00 88.36 O +ATOM 43 N PRO A 8 -4.813 2.321 1.607 1.00 91.60 N +ATOM 44 CA PRO A 8 -5.621 3.132 2.502 1.00 90.75 C +ATOM 45 C PRO A 8 -5.758 2.494 3.872 1.00 91.02 C +ATOM 46 O PRO A 8 -5.562 1.301 4.043 1.00 87.89 O +ATOM 47 CB PRO A 8 -6.964 3.207 1.780 1.00 88.17 C +ATOM 48 CG PRO A 8 -7.032 1.899 1.078 1.00 87.40 C +ATOM 49 CD PRO A 8 -5.614 1.675 0.582 1.00 90.17 C +HETATM 50 N HYP A 9 -6.103 3.318 4.869 1.00 82.09 N +HETATM 51 CA HYP A 9 -6.341 2.820 6.164 1.00 87.95 C +HETATM 52 C HYP A 9 -7.557 1.905 6.199 1.00 83.98 C +HETATM 53 O HYP A 9 -8.497 2.111 5.406 1.00 86.44 O +HETATM 54 CB HYP A 9 -6.730 4.108 6.973 1.00 80.35 C +HETATM 55 CG HYP A 9 -6.080 5.206 6.240 1.00 80.78 C +HETATM 56 CD HYP A 9 -6.157 4.783 4.815 1.00 82.71 C +HETATM 57 OD1 HYP A 9 -4.727 5.274 6.621 1.00 82.25 O +ATOM 58 N GLY A 10 -7.569 0.926 7.020 1.00 87.80 N +ATOM 59 CA GLY A 10 -8.739 0.097 7.189 1.00 85.02 C +ATOM 60 C GLY A 10 -9.736 0.882 8.021 1.00 85.67 C +ATOM 61 O GLY A 10 -9.527 2.058 8.318 1.00 82.86 O +ATOM 62 N ASP A 11 -10.799 0.233 8.424 1.00 87.27 N +ATOM 63 CA ASP A 11 -11.782 0.924 9.259 1.00 90.06 C +ATOM 64 C ASP A 11 -11.106 1.518 10.489 1.00 90.11 C +ATOM 65 O ASP A 11 -11.425 2.631 10.896 1.00 86.37 O +ATOM 66 CB ASP A 11 -12.874 -0.039 9.714 1.00 87.42 C +ATOM 67 CG ASP A 11 -13.835 -0.407 8.600 1.00 82.14 C +ATOM 68 OD1 ASP A 11 -13.927 0.349 7.610 1.00 79.69 O +ATOM 69 OD2 ASP A 11 -14.514 -1.444 8.734 1.00 77.29 O +ATOM 70 N LYS A 12 -10.202 0.754 11.066 1.00 87.32 N +ATOM 71 CA LYS A 12 -9.451 1.178 12.240 1.00 88.28 C +ATOM 72 C LYS A 12 -8.075 0.520 12.206 1.00 87.79 C +ATOM 73 O LYS A 12 -7.742 -0.296 13.059 1.00 83.27 O +ATOM 74 CB LYS A 12 -10.183 0.786 13.532 1.00 82.56 C +ATOM 75 CG LYS A 12 -11.577 1.350 13.640 1.00 79.59 C +ATOM 76 CD LYS A 12 -12.267 0.964 14.937 1.00 75.37 C +ATOM 77 CE LYS A 12 -11.806 1.820 16.096 1.00 72.24 C +ATOM 78 NZ LYS A 12 -12.619 1.561 17.300 1.00 67.30 N +ATOM 79 N GLY A 13 -7.280 0.877 11.197 1.00 90.77 N +ATOM 80 CA GLY A 13 -5.981 0.252 11.061 1.00 89.41 C +ATOM 81 C GLY A 13 -5.014 1.104 10.274 1.00 90.13 C +ATOM 82 O GLY A 13 -5.391 2.122 9.706 1.00 89.36 O +ATOM 83 N PRO A 14 -3.764 0.689 10.260 1.00 92.70 N +ATOM 84 CA PRO A 14 -2.734 1.429 9.555 1.00 91.96 C +ATOM 85 C PRO A 14 -2.890 1.301 8.054 1.00 91.91 C +ATOM 86 O PRO A 14 -3.620 0.454 7.558 1.00 89.61 O +ATOM 87 CB PRO A 14 -1.442 0.780 10.042 1.00 89.99 C +ATOM 88 CG PRO A 14 -1.853 -0.627 10.284 1.00 89.43 C +ATOM 89 CD PRO A 14 -3.223 -0.507 10.900 1.00 90.97 C +HETATM 90 N HYP A 15 -2.196 2.160 7.397 1.00 89.57 N +HETATM 91 CA HYP A 15 -2.170 2.048 5.943 1.00 88.47 C +HETATM 92 C HYP A 15 -1.647 0.723 5.496 1.00 90.98 C +HETATM 93 O HYP A 15 -0.849 0.105 6.223 1.00 90.22 O +HETATM 94 CB HYP A 15 -1.181 3.187 5.595 1.00 86.91 C +HETATM 95 CG HYP A 15 -1.256 4.160 6.764 1.00 83.77 C +HETATM 96 CD HYP A 15 -1.458 3.253 7.959 1.00 87.15 C +HETATM 97 OD1 HYP A 15 -2.364 4.999 6.618 1.00 86.22 O +ATOM 98 N GLY A 16 -2.092 0.287 4.345 1.00 92.34 N +ATOM 99 CA GLY A 16 -1.626 -0.958 3.805 1.00 91.47 C +ATOM 100 C GLY A 16 -0.179 -0.820 3.373 1.00 92.71 C +ATOM 101 O GLY A 16 0.382 0.275 3.384 1.00 92.32 O +ATOM 102 N PRO A 17 0.435 -1.944 2.993 1.00 93.53 N +ATOM 103 CA PRO A 17 1.824 -1.905 2.571 1.00 92.95 C +ATOM 104 C PRO A 17 1.983 -1.213 1.231 1.00 93.62 C +ATOM 105 O PRO A 17 1.034 -1.082 0.468 1.00 92.22 O +ATOM 106 CB PRO A 17 2.209 -3.383 2.504 1.00 91.07 C +ATOM 107 CG PRO A 17 0.924 -4.051 2.169 1.00 90.33 C +ATOM 108 CD PRO A 17 -0.110 -3.294 2.960 1.00 91.97 C +HETATM 109 N HYP A 18 3.184 -0.764 0.952 1.00 90.17 N +HETATM 110 CA HYP A 18 3.472 -0.200 -0.328 1.00 92.75 C +HETATM 111 C HYP A 18 3.196 -1.156 -1.446 1.00 90.56 C +HETATM 112 O HYP A 18 3.338 -2.382 -1.260 1.00 90.70 O +HETATM 113 CB HYP A 18 4.985 0.069 -0.224 1.00 88.75 C +HETATM 114 CG HYP A 18 5.246 0.237 1.255 1.00 87.45 C +HETATM 115 CD HYP A 18 4.290 -0.763 1.857 1.00 90.92 C +HETATM 116 OD1 HYP A 18 4.889 1.545 1.667 1.00 88.51 O +ATOM 117 N GLY A 19 2.805 -0.642 -2.574 1.00 92.43 N +ATOM 118 CA GLY A 19 2.563 -1.454 -3.727 1.00 91.78 C +ATOM 119 C GLY A 19 3.874 -1.958 -4.295 1.00 92.30 C +ATOM 120 O GLY A 19 4.949 -1.533 -3.876 1.00 92.01 O +ATOM 121 N PRO A 20 3.801 -2.865 -5.251 1.00 88.73 N +ATOM 122 CA PRO A 20 5.006 -3.405 -5.854 1.00 87.96 C +ATOM 123 C PRO A 20 5.694 -2.379 -6.737 1.00 88.51 C +ATOM 124 O PRO A 20 5.103 -1.386 -7.140 1.00 87.02 O +ATOM 125 CB PRO A 20 4.483 -4.591 -6.656 1.00 84.66 C +ATOM 126 CG PRO A 20 3.115 -4.163 -7.032 1.00 82.05 C +ATOM 127 CD PRO A 20 2.589 -3.451 -5.811 1.00 84.93 C +HETATM 128 N HYP A 21 6.967 -2.622 -7.017 1.00 86.25 N +HETATM 129 CA HYP A 21 7.676 -1.774 -7.921 1.00 87.26 C +HETATM 130 C HYP A 21 7.021 -1.630 -9.282 1.00 83.77 C +HETATM 131 O HYP A 21 6.406 -2.612 -9.741 1.00 90.76 O +HETATM 132 CB HYP A 21 9.043 -2.436 -8.062 1.00 83.42 C +HETATM 133 CG HYP A 21 9.213 -3.206 -6.777 1.00 79.48 C +HETATM 134 CD HYP A 21 7.818 -3.671 -6.478 1.00 86.08 C +HETATM 135 OD1 HYP A 21 9.599 -2.302 -5.738 1.00 86.46 O +ATOM 136 N GLY A 22 7.077 -0.473 -9.865 1.00 88.50 N +ATOM 137 CA GLY A 22 6.497 -0.243 -11.150 1.00 86.19 C +ATOM 138 C GLY A 22 7.305 -0.961 -12.222 1.00 86.52 C +ATOM 139 O GLY A 22 8.337 -1.558 -11.931 1.00 85.08 O +ATOM 140 N PRO A 23 6.859 -0.892 -13.465 1.00 90.81 N +ATOM 141 CA PRO A 23 7.569 -1.560 -14.545 1.00 90.59 C +ATOM 142 C PRO A 23 8.920 -0.922 -14.792 1.00 90.02 C +ATOM 143 O PRO A 23 9.149 0.232 -14.464 1.00 85.92 O +ATOM 144 CB PRO A 23 6.631 -1.409 -15.732 1.00 86.66 C +ATOM 145 CG PRO A 23 5.924 -0.139 -15.437 1.00 84.48 C +ATOM 146 CD PRO A 23 5.683 -0.190 -13.945 1.00 87.88 C +HETATM 147 N HYP A 24 9.795 -1.601 -15.376 1.00 89.86 N +HETATM 148 CA HYP A 24 11.117 -1.056 -15.629 1.00 83.43 C +HETATM 149 C HYP A 24 11.106 0.343 -16.093 1.00 85.49 C +HETATM 150 O HYP A 24 10.995 0.609 -17.293 1.00 81.34 O +HETATM 151 CB HYP A 24 11.756 -2.018 -16.589 1.00 84.42 C +HETATM 152 CG HYP A 24 10.980 -3.294 -16.499 1.00 82.18 C +HETATM 153 CD HYP A 24 9.592 -2.862 -16.054 1.00 87.20 C +HETATM 154 OD1 HYP A 24 11.516 -4.118 -15.481 1.00 83.75 O +HETATM 155 OXT HYP A 24 11.170 1.177 -15.176 1.00 81.00 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_28.txt b/protein_pdb_28.txt new file mode 100644 index 0000000000000000000000000000000000000000..55f7e5194fc3684774e4fab54428dc1946386a51 --- /dev/null +++ b/protein_pdb_28.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 4.588 7.280 11.462 1.00 71.84 N +ATOM 2 CA GLY A 1 4.424 7.982 10.200 1.00 76.01 C +ATOM 3 C GLY A 1 3.177 7.535 9.481 1.00 77.30 C +ATOM 4 O GLY A 1 2.435 6.688 9.981 1.00 74.71 O +ATOM 5 N PRO A 2 2.935 8.082 8.326 1.00 73.44 N +ATOM 6 CA PRO A 2 1.745 7.719 7.579 1.00 78.35 C +ATOM 7 C PRO A 2 1.835 6.307 7.041 1.00 78.63 C +ATOM 8 O PRO A 2 2.906 5.730 6.945 1.00 76.73 O +ATOM 9 CB PRO A 2 1.707 8.742 6.440 1.00 74.26 C +ATOM 10 CG PRO A 2 3.127 9.099 6.236 1.00 68.72 C +ATOM 11 CD PRO A 2 3.766 9.054 7.597 1.00 68.49 C +HETATM 12 N HYP A 3 0.735 5.821 6.744 1.00 76.05 N +HETATM 13 CA HYP A 3 0.662 4.520 6.089 1.00 79.88 C +HETATM 14 C HYP A 3 1.492 4.485 4.868 1.00 78.78 C +HETATM 15 O HYP A 3 1.627 5.516 4.133 1.00 83.56 O +HETATM 16 CB HYP A 3 -0.853 4.456 5.736 1.00 80.54 C +HETATM 17 CG HYP A 3 -1.531 5.330 6.748 1.00 76.15 C +HETATM 18 CD HYP A 3 -0.537 6.498 6.909 1.00 77.18 C +HETATM 19 OD1 HYP A 3 -1.651 4.655 7.965 1.00 81.68 O +ATOM 20 N GLY A 4 2.103 3.363 4.620 1.00 86.51 N +ATOM 21 CA GLY A 4 2.857 3.194 3.405 1.00 85.17 C +ATOM 22 C GLY A 4 1.946 3.178 2.198 1.00 84.30 C +ATOM 23 O GLY A 4 0.723 3.156 2.316 1.00 82.66 O +ATOM 24 N PRO A 5 2.549 3.183 1.018 1.00 85.14 N +ATOM 25 CA PRO A 5 1.749 3.154 -0.197 1.00 84.59 C +ATOM 26 C PRO A 5 1.056 1.818 -0.359 1.00 83.60 C +ATOM 27 O PRO A 5 1.454 0.823 0.230 1.00 81.21 O +ATOM 28 CB PRO A 5 2.779 3.395 -1.303 1.00 81.04 C +ATOM 29 CG PRO A 5 4.051 2.889 -0.730 1.00 77.99 C +ATOM 30 CD PRO A 5 3.982 3.182 0.743 1.00 80.71 C +HETATM 31 N HYP A 6 0.036 1.819 -1.157 1.00 82.96 N +HETATM 32 CA HYP A 6 -0.634 0.581 -1.481 1.00 86.45 C +HETATM 33 C HYP A 6 0.301 -0.403 -2.076 1.00 85.35 C +HETATM 34 O HYP A 6 1.291 -0.029 -2.759 1.00 85.41 O +HETATM 35 CB HYP A 6 -1.674 1.095 -2.516 1.00 83.19 C +HETATM 36 CG HYP A 6 -1.931 2.535 -2.141 1.00 81.64 C +HETATM 37 CD HYP A 6 -0.563 3.009 -1.761 1.00 83.04 C +HETATM 38 OD1 HYP A 6 -2.799 2.617 -1.037 1.00 83.61 O +ATOM 39 N GLY A 7 0.105 -1.655 -1.752 1.00 85.93 N +ATOM 40 CA GLY A 7 0.901 -2.705 -2.320 1.00 82.65 C +ATOM 41 C GLY A 7 0.674 -2.821 -3.811 1.00 83.54 C +ATOM 42 O GLY A 7 -0.172 -2.132 -4.389 1.00 82.48 O +ATOM 43 N PRO A 8 1.431 -3.689 -4.441 1.00 83.70 N +ATOM 44 CA PRO A 8 1.281 -3.858 -5.878 1.00 83.45 C +ATOM 45 C PRO A 8 -0.055 -4.488 -6.217 1.00 83.32 C +ATOM 46 O PRO A 8 -0.664 -5.174 -5.405 1.00 80.72 O +ATOM 47 CB PRO A 8 2.447 -4.767 -6.258 1.00 79.86 C +ATOM 48 CG PRO A 8 2.760 -5.503 -5.015 1.00 79.20 C +ATOM 49 CD PRO A 8 2.439 -4.568 -3.877 1.00 81.06 C +HETATM 50 N HYP A 9 -0.479 -4.290 -7.427 1.00 77.89 N +HETATM 51 CA HYP A 9 -1.687 -4.850 -7.879 1.00 80.65 C +HETATM 52 C HYP A 9 -1.596 -6.346 -7.930 1.00 80.48 C +HETATM 53 O HYP A 9 -0.549 -6.915 -8.195 1.00 81.42 O +HETATM 54 CB HYP A 9 -1.687 -4.330 -9.361 1.00 78.90 C +HETATM 55 CG HYP A 9 -0.919 -3.050 -9.334 1.00 77.50 C +HETATM 56 CD HYP A 9 0.179 -3.348 -8.373 1.00 81.35 C +HETATM 57 OD1 HYP A 9 -1.713 -2.005 -8.837 1.00 78.36 O +ATOM 58 N GLY A 10 -2.689 -7.014 -7.536 1.00 84.85 N +ATOM 59 CA GLY A 10 -2.764 -8.445 -7.684 1.00 82.59 C +ATOM 60 C GLY A 10 -2.894 -8.794 -9.151 1.00 83.34 C +ATOM 61 O GLY A 10 -2.850 -7.924 -10.028 1.00 80.64 O +ATOM 62 N GLU A 11 -3.052 -10.077 -9.433 1.00 82.72 N +ATOM 63 CA GLU A 11 -3.239 -10.506 -10.808 1.00 85.62 C +ATOM 64 C GLU A 11 -4.577 -9.991 -11.304 1.00 84.28 C +ATOM 65 O GLU A 11 -5.624 -10.491 -10.912 1.00 80.86 O +ATOM 66 CB GLU A 11 -3.187 -12.023 -10.910 1.00 82.68 C +ATOM 67 CG GLU A 11 -1.781 -12.571 -11.045 1.00 76.25 C +ATOM 68 CD GLU A 11 -1.101 -12.097 -12.325 1.00 73.06 C +ATOM 69 OE1 GLU A 11 -0.355 -11.098 -12.249 1.00 69.79 O +ATOM 70 OE2 GLU A 11 -1.331 -12.712 -13.380 1.00 71.24 O +HETATM 71 N HYP A 12 -4.605 -9.012 -12.206 1.00 74.92 N +HETATM 72 CA HYP A 12 -5.705 -8.195 -12.348 1.00 74.08 C +HETATM 73 C HYP A 12 -6.444 -7.792 -11.220 1.00 81.22 C +HETATM 74 O HYP A 12 -7.664 -7.537 -11.219 1.00 80.23 O +HETATM 75 CB HYP A 12 -5.934 -7.735 -13.689 1.00 76.55 C +HETATM 76 CG HYP A 12 -4.666 -8.231 -14.425 1.00 74.77 C +HETATM 77 CD HYP A 12 -3.999 -9.151 -13.450 1.00 76.95 C +HETATM 78 OD1 HYP A 12 -3.810 -7.188 -14.710 1.00 78.03 O +ATOM 79 N GLY A 13 -5.767 -7.696 -10.104 1.00 83.01 N +ATOM 80 CA GLY A 13 -6.376 -7.393 -8.832 1.00 81.38 C +ATOM 81 C GLY A 13 -6.124 -5.966 -8.396 1.00 81.63 C +ATOM 82 O GLY A 13 -5.349 -5.230 -9.005 1.00 80.18 O +ATOM 83 N PRO A 14 -6.789 -5.578 -7.335 1.00 79.50 N +ATOM 84 CA PRO A 14 -6.650 -4.225 -6.825 1.00 80.26 C +ATOM 85 C PRO A 14 -5.307 -4.028 -6.143 1.00 79.51 C +ATOM 86 O PRO A 14 -4.609 -4.982 -5.812 1.00 76.92 O +ATOM 87 CB PRO A 14 -7.792 -4.113 -5.824 1.00 76.99 C +ATOM 88 CG PRO A 14 -7.963 -5.501 -5.319 1.00 75.16 C +ATOM 89 CD PRO A 14 -7.687 -6.393 -6.506 1.00 75.67 C +HETATM 90 N HYP A 15 -5.026 -2.801 -5.931 1.00 79.87 N +HETATM 91 CA HYP A 15 -3.826 -2.490 -5.175 1.00 81.47 C +HETATM 92 C HYP A 15 -3.877 -3.146 -3.826 1.00 82.88 C +HETATM 93 O HYP A 15 -4.967 -3.345 -3.280 1.00 82.66 O +HETATM 94 CB HYP A 15 -4.042 -0.941 -5.035 1.00 80.12 C +HETATM 95 CG HYP A 15 -4.893 -0.538 -6.237 1.00 78.32 C +HETATM 96 CD HYP A 15 -5.854 -1.698 -6.372 1.00 81.25 C +HETATM 97 OD1 HYP A 15 -4.114 -0.430 -7.385 1.00 79.84 O +ATOM 98 N GLY A 16 -2.735 -3.535 -3.352 1.00 85.24 N +ATOM 99 CA GLY A 16 -2.667 -4.113 -2.041 1.00 84.47 C +ATOM 100 C GLY A 16 -3.026 -3.100 -0.971 1.00 85.71 C +ATOM 101 O GLY A 16 -3.212 -1.916 -1.251 1.00 85.03 O +ATOM 102 N PRO A 17 -3.131 -3.577 0.246 1.00 83.33 N +ATOM 103 CA PRO A 17 -3.453 -2.670 1.334 1.00 83.85 C +ATOM 104 C PRO A 17 -2.305 -1.714 1.599 1.00 84.42 C +ATOM 105 O PRO A 17 -1.160 -1.974 1.236 1.00 81.57 O +ATOM 106 CB PRO A 17 -3.699 -3.598 2.517 1.00 80.61 C +ATOM 107 CG PRO A 17 -2.919 -4.817 2.191 1.00 80.21 C +ATOM 108 CD PRO A 17 -2.945 -4.949 0.701 1.00 81.95 C +HETATM 109 N HYP A 18 -2.610 -0.624 2.238 1.00 85.67 N +HETATM 110 CA HYP A 18 -1.602 0.305 2.621 1.00 88.55 C +HETATM 111 C HYP A 18 -0.541 -0.369 3.431 1.00 86.86 C +HETATM 112 O HYP A 18 -0.823 -1.290 4.207 1.00 87.28 O +HETATM 113 CB HYP A 18 -2.374 1.311 3.422 1.00 85.07 C +HETATM 114 CG HYP A 18 -3.768 1.256 2.856 1.00 83.92 C +HETATM 115 CD HYP A 18 -3.934 -0.210 2.585 1.00 86.71 C +HETATM 116 OD1 HYP A 18 -3.843 1.970 1.646 1.00 84.78 O +ATOM 117 N GLY A 19 0.662 0.034 3.216 1.00 86.73 N +ATOM 118 CA GLY A 19 1.760 -0.489 3.973 1.00 86.08 C +ATOM 119 C GLY A 19 1.670 -0.076 5.424 1.00 87.00 C +ATOM 120 O GLY A 19 0.797 0.691 5.827 1.00 86.46 O +ATOM 121 N PRO A 20 2.581 -0.589 6.217 1.00 81.73 N +ATOM 122 CA PRO A 20 2.587 -0.237 7.627 1.00 81.86 C +ATOM 123 C PRO A 20 2.957 1.218 7.825 1.00 81.21 C +ATOM 124 O PRO A 20 3.534 1.863 6.951 1.00 79.50 O +ATOM 125 CB PRO A 20 3.637 -1.173 8.218 1.00 78.35 C +ATOM 126 CG PRO A 20 4.520 -1.507 7.086 1.00 76.07 C +ATOM 127 CD PRO A 20 3.666 -1.494 5.854 1.00 78.12 C +HETATM 128 N HYP A 21 2.622 1.749 8.977 1.00 82.05 N +HETATM 129 CA HYP A 21 2.987 3.065 9.306 1.00 84.56 C +HETATM 130 C HYP A 21 4.488 3.300 9.213 1.00 78.67 C +HETATM 131 O HYP A 21 5.244 2.381 9.504 1.00 83.36 O +HETATM 132 CB HYP A 21 2.497 3.227 10.702 1.00 80.14 C +HETATM 133 CG HYP A 21 1.317 2.290 10.768 1.00 79.15 C +HETATM 134 CD HYP A 21 1.792 1.107 9.960 1.00 84.34 C +HETATM 135 OD1 HYP A 21 0.183 2.853 10.141 1.00 83.67 O +ATOM 136 N GLY A 22 4.844 4.414 8.680 1.00 80.60 N +ATOM 137 CA GLY A 22 6.236 4.746 8.572 1.00 78.19 C +ATOM 138 C GLY A 22 6.866 4.926 9.942 1.00 77.92 C +ATOM 139 O GLY A 22 6.192 4.894 10.972 1.00 76.04 O +ATOM 140 N PRO A 23 8.169 5.134 9.957 1.00 77.01 N +ATOM 141 CA PRO A 23 8.859 5.328 11.221 1.00 79.09 C +ATOM 142 C PRO A 23 8.499 6.674 11.819 1.00 78.42 C +ATOM 143 O PRO A 23 8.033 7.577 11.135 1.00 74.40 O +ATOM 144 CB PRO A 23 10.331 5.265 10.830 1.00 73.41 C +ATOM 145 CG PRO A 23 10.351 5.722 9.423 1.00 70.60 C +ATOM 146 CD PRO A 23 9.070 5.226 8.812 1.00 72.48 C +HETATM 147 N HYP A 24 8.767 6.846 13.060 1.00 82.36 N +HETATM 148 CA HYP A 24 8.438 8.095 13.650 1.00 74.23 C +HETATM 149 C HYP A 24 9.097 9.267 12.972 1.00 79.59 C +HETATM 150 O HYP A 24 10.174 9.028 12.386 1.00 77.74 O +HETATM 151 CB HYP A 24 9.011 7.971 15.078 1.00 76.23 C +HETATM 152 CG HYP A 24 9.200 6.509 15.316 1.00 75.47 C +HETATM 153 CD HYP A 24 9.485 5.924 13.921 1.00 80.91 C +HETATM 154 OD1 HYP A 24 8.000 5.922 15.774 1.00 79.68 O +HETATM 155 OXT HYP A 24 8.548 10.372 13.086 1.00 75.16 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_280.txt b/protein_pdb_280.txt new file mode 100644 index 0000000000000000000000000000000000000000..b8fa8ef25c079e6f23c438e147920b66e92cc123 --- /dev/null +++ b/protein_pdb_280.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 -10.022 13.941 -1.065 1.00 89.60 N +ATOM 2 CA GLY A 1 -10.630 12.680 -1.446 1.00 89.92 C +ATOM 3 C GLY A 1 -10.343 11.607 -0.432 1.00 90.30 C +ATOM 4 O GLY A 1 -9.646 11.845 0.549 1.00 88.28 O +ATOM 5 N PRO A 2 -10.834 10.372 -0.647 1.00 90.21 N +ATOM 6 CA PRO A 2 -10.638 9.289 0.306 1.00 90.78 C +ATOM 7 C PRO A 2 -9.220 8.759 0.297 1.00 90.84 C +ATOM 8 O PRO A 2 -8.479 8.940 -0.660 1.00 89.08 O +ATOM 9 CB PRO A 2 -11.626 8.224 -0.167 1.00 87.43 C +ATOM 10 CG PRO A 2 -11.768 8.487 -1.614 1.00 84.00 C +ATOM 11 CD PRO A 2 -11.653 9.971 -1.787 1.00 85.89 C +HETATM 12 N HYP A 3 -8.870 8.132 1.361 1.00 90.75 N +HETATM 13 CA HYP A 3 -7.562 7.451 1.449 1.00 88.57 C +HETATM 14 C HYP A 3 -7.430 6.330 0.409 1.00 91.97 C +HETATM 15 O HYP A 3 -8.464 5.728 0.026 1.00 93.63 O +HETATM 16 CB HYP A 3 -7.602 6.849 2.884 1.00 90.13 C +HETATM 17 CG HYP A 3 -8.554 7.773 3.650 1.00 87.87 C +HETATM 18 CD HYP A 3 -9.617 8.097 2.583 1.00 90.52 C +HETATM 19 OD1 HYP A 3 -7.873 8.948 3.996 1.00 88.66 O +ATOM 20 N GLY A 4 -6.244 6.115 -0.049 1.00 92.11 N +ATOM 21 CA GLY A 4 -6.004 5.057 -0.992 1.00 91.36 C +ATOM 22 C GLY A 4 -6.146 3.697 -0.342 1.00 91.42 C +ATOM 23 O GLY A 4 -6.269 3.575 0.877 1.00 92.20 O +ATOM 24 N PRO A 5 -6.123 2.649 -1.163 1.00 93.21 N +ATOM 25 CA PRO A 5 -6.252 1.295 -0.627 1.00 92.66 C +ATOM 26 C PRO A 5 -4.981 0.856 0.077 1.00 92.73 C +ATOM 27 O PRO A 5 -3.920 1.438 -0.100 1.00 92.12 O +ATOM 28 CB PRO A 5 -6.510 0.462 -1.875 1.00 90.91 C +ATOM 29 CG PRO A 5 -5.817 1.211 -2.953 1.00 89.46 C +ATOM 30 CD PRO A 5 -5.974 2.661 -2.611 1.00 91.67 C +HETATM 31 N HYP A 6 -5.123 -0.196 0.888 1.00 93.19 N +HETATM 32 CA HYP A 6 -3.971 -0.784 1.523 1.00 95.07 C +HETATM 33 C HYP A 6 -2.959 -1.302 0.499 1.00 95.38 C +HETATM 34 O HYP A 6 -3.355 -1.735 -0.613 1.00 93.53 O +HETATM 35 CB HYP A 6 -4.590 -1.979 2.317 1.00 91.13 C +HETATM 36 CG HYP A 6 -6.023 -1.552 2.577 1.00 90.81 C +HETATM 37 CD HYP A 6 -6.385 -0.811 1.294 1.00 92.27 C +HETATM 38 OD1 HYP A 6 -6.056 -0.656 3.657 1.00 89.65 O +ATOM 39 N GLY A 7 -1.712 -1.228 0.839 1.00 93.53 N +ATOM 40 CA GLY A 7 -0.677 -1.719 -0.026 1.00 92.87 C +ATOM 41 C GLY A 7 -0.697 -3.228 -0.131 1.00 92.82 C +ATOM 42 O GLY A 7 -1.422 -3.912 0.588 1.00 92.84 O +ATOM 43 N PRO A 8 0.116 -3.754 -1.043 1.00 94.93 N +ATOM 44 CA PRO A 8 0.159 -5.203 -1.220 1.00 94.58 C +ATOM 45 C PRO A 8 0.780 -5.899 -0.026 1.00 94.62 C +ATOM 46 O PRO A 8 1.563 -5.321 0.716 1.00 93.35 O +ATOM 47 CB PRO A 8 1.026 -5.409 -2.464 1.00 92.75 C +ATOM 48 CG PRO A 8 1.364 -4.069 -2.963 1.00 91.57 C +ATOM 49 CD PRO A 8 1.009 -3.050 -1.939 1.00 93.35 C +HETATM 50 N HYP A 9 0.440 -7.182 0.122 1.00 92.48 N +HETATM 51 CA HYP A 9 1.011 -7.977 1.160 1.00 93.39 C +HETATM 52 C HYP A 9 2.505 -8.213 0.946 1.00 93.79 C +HETATM 53 O HYP A 9 2.933 -8.393 -0.215 1.00 93.55 O +HETATM 54 CB HYP A 9 0.310 -9.368 1.031 1.00 90.52 C +HETATM 55 CG HYP A 9 -0.957 -9.081 0.302 1.00 89.09 C +HETATM 56 CD HYP A 9 -0.617 -7.922 -0.600 1.00 92.36 C +HETATM 57 OD1 HYP A 9 -1.923 -8.659 1.241 1.00 87.75 O +ATOM 58 N GLY A 10 3.320 -8.175 1.940 1.00 92.01 N +ATOM 59 CA GLY A 10 4.699 -8.589 1.852 1.00 90.09 C +ATOM 60 C GLY A 10 4.800 -10.094 1.970 1.00 90.11 C +ATOM 61 O GLY A 10 3.797 -10.794 2.123 1.00 89.30 O +ATOM 62 N PHE A 11 6.026 -10.608 1.916 1.00 91.98 N +ATOM 63 CA PHE A 11 6.198 -12.051 2.069 1.00 93.49 C +ATOM 64 C PHE A 11 5.772 -12.521 3.450 1.00 94.17 C +ATOM 65 O PHE A 11 5.261 -13.631 3.599 1.00 92.39 O +ATOM 66 CB PHE A 11 7.646 -12.438 1.807 1.00 92.72 C +ATOM 67 CG PHE A 11 8.061 -12.265 0.371 1.00 89.75 C +ATOM 68 CD1 PHE A 11 7.471 -13.011 -0.623 1.00 85.66 C +ATOM 69 CD2 PHE A 11 9.036 -11.341 0.021 1.00 85.94 C +ATOM 70 CE1 PHE A 11 7.846 -12.853 -1.944 1.00 84.38 C +ATOM 71 CE2 PHE A 11 9.417 -11.180 -1.301 1.00 84.61 C +ATOM 72 CZ PHE A 11 8.823 -11.936 -2.289 1.00 86.22 C +ATOM 73 N ARG A 12 5.996 -11.686 4.444 1.00 92.05 N +ATOM 74 CA ARG A 12 5.594 -11.995 5.807 1.00 92.78 C +ATOM 75 C ARG A 12 4.690 -10.935 6.411 1.00 92.46 C +ATOM 76 O ARG A 12 4.027 -11.203 7.412 1.00 89.76 O +ATOM 77 CB ARG A 12 6.829 -12.158 6.700 1.00 90.21 C +ATOM 78 CG ARG A 12 7.722 -13.312 6.284 1.00 85.72 C +ATOM 79 CD ARG A 12 8.867 -13.499 7.255 1.00 81.09 C +ATOM 80 NE ARG A 12 8.427 -13.931 8.572 1.00 77.32 N +ATOM 81 CZ ARG A 12 8.076 -15.175 8.878 1.00 73.32 C +ATOM 82 NH1 ARG A 12 8.123 -16.132 7.967 1.00 71.49 N +ATOM 83 NH2 ARG A 12 7.690 -15.451 10.100 1.00 67.56 N +ATOM 84 N GLY A 13 4.680 -9.757 5.838 1.00 94.51 N +ATOM 85 CA GLY A 13 3.950 -8.650 6.412 1.00 93.64 C +ATOM 86 C GLY A 13 2.531 -8.515 5.911 1.00 94.03 C +ATOM 87 O GLY A 13 2.154 -9.095 4.893 1.00 93.80 O +ATOM 88 N PRO A 14 1.747 -7.752 6.636 1.00 94.12 N +ATOM 89 CA PRO A 14 0.374 -7.479 6.238 1.00 93.85 C +ATOM 90 C PRO A 14 0.331 -6.450 5.118 1.00 94.11 C +ATOM 91 O PRO A 14 1.360 -5.919 4.704 1.00 93.53 O +ATOM 92 CB PRO A 14 -0.248 -6.920 7.511 1.00 92.62 C +ATOM 93 CG PRO A 14 0.884 -6.211 8.173 1.00 91.45 C +ATOM 94 CD PRO A 14 2.105 -7.043 7.872 1.00 92.36 C +HETATM 95 N HYP A 15 -0.883 -6.196 4.647 1.00 93.95 N +HETATM 96 CA HYP A 15 -1.039 -5.130 3.685 1.00 93.15 C +HETATM 97 C HYP A 15 -0.482 -3.843 4.184 1.00 94.45 C +HETATM 98 O HYP A 15 -0.495 -3.606 5.440 1.00 93.84 O +HETATM 99 CB HYP A 15 -2.571 -5.072 3.516 1.00 91.13 C +HETATM 100 CG HYP A 15 -3.059 -6.456 3.855 1.00 90.51 C +HETATM 101 CD HYP A 15 -2.125 -6.881 4.982 1.00 93.15 C +HETATM 102 OD1 HYP A 15 -2.900 -7.290 2.750 1.00 90.57 O +ATOM 103 N GLY A 16 0.015 -3.039 3.309 1.00 94.62 N +ATOM 104 CA GLY A 16 0.519 -1.751 3.694 1.00 94.19 C +ATOM 105 C GLY A 16 -0.593 -0.844 4.171 1.00 94.42 C +ATOM 106 O GLY A 16 -1.779 -1.176 4.061 1.00 94.36 O +ATOM 107 N PRO A 17 -0.211 0.310 4.702 1.00 93.34 N +ATOM 108 CA PRO A 17 -1.221 1.248 5.175 1.00 92.85 C +ATOM 109 C PRO A 17 -1.986 1.869 4.022 1.00 93.42 C +ATOM 110 O PRO A 17 -1.545 1.838 2.877 1.00 92.63 O +ATOM 111 CB PRO A 17 -0.399 2.294 5.927 1.00 91.26 C +ATOM 112 CG PRO A 17 0.942 2.219 5.309 1.00 90.07 C +ATOM 113 CD PRO A 17 1.145 0.801 4.891 1.00 91.61 C +HETATM 114 N HYP A 18 -3.166 2.408 4.325 1.00 92.65 N +HETATM 115 CA HYP A 18 -3.899 3.129 3.348 1.00 91.99 C +HETATM 116 C HYP A 18 -3.122 4.264 2.738 1.00 93.87 C +HETATM 117 O HYP A 18 -2.272 4.862 3.443 1.00 92.35 O +HETATM 118 CB HYP A 18 -5.110 3.655 4.148 1.00 89.80 C +HETATM 119 CG HYP A 18 -5.301 2.630 5.253 1.00 89.53 C +HETATM 120 CD HYP A 18 -3.862 2.289 5.598 1.00 92.55 C +HETATM 121 OD1 HYP A 18 -5.965 1.496 4.739 1.00 89.74 O +ATOM 122 N GLY A 19 -3.341 4.530 1.516 1.00 90.93 N +ATOM 123 CA GLY A 19 -2.689 5.627 0.861 1.00 89.98 C +ATOM 124 C GLY A 19 -3.109 6.953 1.461 1.00 89.81 C +ATOM 125 O GLY A 19 -4.023 7.017 2.289 1.00 90.72 O +ATOM 126 N PRO A 20 -2.445 8.015 1.040 1.00 88.70 N +ATOM 127 CA PRO A 20 -2.764 9.325 1.584 1.00 87.95 C +ATOM 128 C PRO A 20 -4.122 9.807 1.107 1.00 87.64 C +ATOM 129 O PRO A 20 -4.640 9.355 0.094 1.00 88.25 O +ATOM 130 CB PRO A 20 -1.643 10.208 1.043 1.00 85.24 C +ATOM 131 CG PRO A 20 -1.215 9.530 -0.203 1.00 81.90 C +ATOM 132 CD PRO A 20 -1.377 8.069 0.049 1.00 84.28 C +HETATM 133 N HYP A 21 -4.679 10.709 1.863 1.00 91.78 N +HETATM 134 CA HYP A 21 -5.899 11.346 1.463 1.00 91.07 C +HETATM 135 C HYP A 21 -5.785 12.093 0.152 1.00 92.47 C +HETATM 136 O HYP A 21 -4.692 12.613 -0.128 1.00 93.72 O +HETATM 137 CB HYP A 21 -6.192 12.337 2.619 1.00 89.97 C +HETATM 138 CG HYP A 21 -5.470 11.760 3.820 1.00 88.02 C +HETATM 139 CD HYP A 21 -4.226 11.170 3.195 1.00 91.56 C +HETATM 140 OD1 HYP A 21 -6.242 10.695 4.371 1.00 88.83 O +ATOM 141 N GLY A 22 -6.746 12.034 -0.668 1.00 91.23 N +ATOM 142 CA GLY A 22 -6.747 12.812 -1.870 1.00 89.26 C +ATOM 143 C GLY A 22 -6.922 14.284 -1.549 1.00 88.83 C +ATOM 144 O GLY A 22 -7.036 14.664 -0.384 1.00 88.46 O +ATOM 145 N PRO A 23 -6.972 15.138 -2.563 1.00 91.72 N +ATOM 146 CA PRO A 23 -7.200 16.563 -2.320 1.00 91.06 C +ATOM 147 C PRO A 23 -8.539 16.776 -1.642 1.00 89.83 C +ATOM 148 O PRO A 23 -9.442 15.964 -1.762 1.00 86.53 O +ATOM 149 CB PRO A 23 -7.194 17.171 -3.722 1.00 87.62 C +ATOM 150 CG PRO A 23 -6.483 16.178 -4.553 1.00 85.68 C +ATOM 151 CD PRO A 23 -6.805 14.841 -3.972 1.00 88.36 C +HETATM 152 N HYP A 24 -8.698 17.826 -0.925 1.00 92.55 N +HETATM 153 CA HYP A 24 -9.990 17.994 -0.285 1.00 87.73 C +HETATM 154 C HYP A 24 -11.043 17.228 -0.968 1.00 90.77 C +HETATM 155 O HYP A 24 -11.812 17.830 -1.726 1.00 87.03 O +HETATM 156 CB HYP A 24 -10.129 19.421 0.017 1.00 88.41 C +HETATM 157 CG HYP A 24 -8.713 19.977 0.000 1.00 89.54 C +HETATM 158 CD HYP A 24 -7.932 19.050 -0.942 1.00 90.99 C +HETATM 159 OD1 HYP A 24 -8.120 19.870 1.301 1.00 87.72 O +HETATM 160 OXT HYP A 24 -11.092 16.027 -0.718 1.00 85.96 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_281.txt b/protein_pdb_281.txt new file mode 100644 index 0000000000000000000000000000000000000000..190788023b4ede22046451779c27ad4e734b0b79 --- /dev/null +++ b/protein_pdb_281.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 10.094 0.780 -11.531 1.00 79.84 N +ATOM 2 CA GLY A 1 9.773 2.059 -10.922 1.00 82.21 C +ATOM 3 C GLY A 1 9.697 1.938 -9.422 1.00 83.90 C +ATOM 4 O GLY A 1 9.895 0.852 -8.871 1.00 80.10 O +ATOM 5 N PRO A 2 9.400 3.024 -8.747 1.00 85.14 N +ATOM 6 CA PRO A 2 9.323 2.994 -7.290 1.00 86.55 C +ATOM 7 C PRO A 2 8.123 2.206 -6.799 1.00 87.13 C +ATOM 8 O PRO A 2 7.171 1.970 -7.530 1.00 84.76 O +ATOM 9 CB PRO A 2 9.225 4.474 -6.922 1.00 83.10 C +ATOM 10 CG PRO A 2 8.529 5.067 -8.095 1.00 79.37 C +ATOM 11 CD PRO A 2 9.132 4.359 -9.274 1.00 81.03 C +HETATM 12 N HYP A 3 8.210 1.787 -5.601 1.00 82.85 N +HETATM 13 CA HYP A 3 7.061 1.120 -4.966 1.00 83.08 C +HETATM 14 C HYP A 3 5.849 1.997 -4.992 1.00 85.68 C +HETATM 15 O HYP A 3 5.981 3.243 -4.946 1.00 89.73 O +HETATM 16 CB HYP A 3 7.561 0.887 -3.518 1.00 84.99 C +HETATM 17 CG HYP A 3 9.050 0.812 -3.630 1.00 80.74 C +HETATM 18 CD HYP A 3 9.337 1.866 -4.725 1.00 84.77 C +HETATM 19 OD1 HYP A 3 9.402 -0.458 -4.109 1.00 85.78 O +ATOM 20 N GLY A 4 4.709 1.360 -5.097 1.00 90.01 N +ATOM 21 CA GLY A 4 3.477 2.087 -5.104 1.00 89.37 C +ATOM 22 C GLY A 4 3.232 2.707 -3.741 1.00 89.90 C +ATOM 23 O GLY A 4 3.931 2.410 -2.778 1.00 89.45 O +ATOM 24 N PRO A 5 2.232 3.585 -3.652 1.00 89.84 N +ATOM 25 CA PRO A 5 1.927 4.234 -2.383 1.00 89.49 C +ATOM 26 C PRO A 5 1.296 3.262 -1.402 1.00 89.90 C +ATOM 27 O PRO A 5 0.790 2.213 -1.781 1.00 88.13 O +ATOM 28 CB PRO A 5 0.969 5.343 -2.784 1.00 87.25 C +ATOM 29 CG PRO A 5 0.268 4.771 -3.971 1.00 85.73 C +ATOM 30 CD PRO A 5 1.349 4.045 -4.714 1.00 87.95 C +HETATM 31 N HYP A 6 1.356 3.627 -0.143 1.00 88.46 N +HETATM 32 CA HYP A 6 0.697 2.818 0.873 1.00 92.35 C +HETATM 33 C HYP A 6 -0.779 2.726 0.636 1.00 89.15 C +HETATM 34 O HYP A 6 -1.391 3.679 0.095 1.00 90.00 O +HETATM 35 CB HYP A 6 0.974 3.685 2.150 1.00 87.60 C +HETATM 36 CG HYP A 6 2.235 4.442 1.842 1.00 85.39 C +HETATM 37 CD HYP A 6 2.067 4.749 0.377 1.00 87.73 C +HETATM 38 OD1 HYP A 6 3.342 3.577 2.022 1.00 86.77 O +ATOM 39 N GLY A 7 -1.326 1.592 0.963 1.00 90.63 N +ATOM 40 CA GLY A 7 -2.735 1.386 0.792 1.00 88.65 C +ATOM 41 C GLY A 7 -3.501 2.255 1.768 1.00 89.14 C +ATOM 42 O GLY A 7 -2.921 2.878 2.656 1.00 88.36 O +ATOM 43 N PRO A 8 -4.813 2.321 1.607 1.00 91.60 N +ATOM 44 CA PRO A 8 -5.621 3.132 2.502 1.00 90.75 C +ATOM 45 C PRO A 8 -5.758 2.494 3.872 1.00 91.02 C +ATOM 46 O PRO A 8 -5.562 1.301 4.043 1.00 87.89 O +ATOM 47 CB PRO A 8 -6.964 3.207 1.780 1.00 88.17 C +ATOM 48 CG PRO A 8 -7.032 1.899 1.078 1.00 87.40 C +ATOM 49 CD PRO A 8 -5.614 1.675 0.582 1.00 90.17 C +HETATM 50 N HYP A 9 -6.103 3.318 4.869 1.00 82.09 N +HETATM 51 CA HYP A 9 -6.341 2.820 6.164 1.00 87.95 C +HETATM 52 C HYP A 9 -7.557 1.905 6.199 1.00 83.98 C +HETATM 53 O HYP A 9 -8.497 2.111 5.406 1.00 86.44 O +HETATM 54 CB HYP A 9 -6.730 4.108 6.973 1.00 80.35 C +HETATM 55 CG HYP A 9 -6.080 5.206 6.240 1.00 80.78 C +HETATM 56 CD HYP A 9 -6.157 4.783 4.815 1.00 82.71 C +HETATM 57 OD1 HYP A 9 -4.727 5.274 6.621 1.00 82.25 O +ATOM 58 N GLY A 10 -7.569 0.926 7.020 1.00 87.80 N +ATOM 59 CA GLY A 10 -8.739 0.097 7.189 1.00 85.02 C +ATOM 60 C GLY A 10 -9.736 0.882 8.021 1.00 85.67 C +ATOM 61 O GLY A 10 -9.527 2.058 8.318 1.00 82.86 O +ATOM 62 N ASP A 11 -10.799 0.233 8.424 1.00 87.27 N +ATOM 63 CA ASP A 11 -11.782 0.924 9.259 1.00 90.06 C +ATOM 64 C ASP A 11 -11.106 1.518 10.489 1.00 90.11 C +ATOM 65 O ASP A 11 -11.425 2.631 10.896 1.00 86.37 O +ATOM 66 CB ASP A 11 -12.874 -0.039 9.714 1.00 87.42 C +ATOM 67 CG ASP A 11 -13.835 -0.407 8.600 1.00 82.14 C +ATOM 68 OD1 ASP A 11 -13.927 0.349 7.610 1.00 79.69 O +ATOM 69 OD2 ASP A 11 -14.514 -1.444 8.734 1.00 77.29 O +ATOM 70 N LYS A 12 -10.202 0.754 11.066 1.00 87.32 N +ATOM 71 CA LYS A 12 -9.451 1.178 12.240 1.00 88.28 C +ATOM 72 C LYS A 12 -8.075 0.520 12.206 1.00 87.79 C +ATOM 73 O LYS A 12 -7.742 -0.296 13.059 1.00 83.27 O +ATOM 74 CB LYS A 12 -10.183 0.786 13.532 1.00 82.56 C +ATOM 75 CG LYS A 12 -11.577 1.350 13.640 1.00 79.59 C +ATOM 76 CD LYS A 12 -12.267 0.964 14.937 1.00 75.37 C +ATOM 77 CE LYS A 12 -11.806 1.820 16.096 1.00 72.24 C +ATOM 78 NZ LYS A 12 -12.619 1.561 17.300 1.00 67.30 N +ATOM 79 N GLY A 13 -7.280 0.877 11.197 1.00 90.77 N +ATOM 80 CA GLY A 13 -5.981 0.252 11.061 1.00 89.41 C +ATOM 81 C GLY A 13 -5.014 1.104 10.274 1.00 90.13 C +ATOM 82 O GLY A 13 -5.391 2.122 9.706 1.00 89.36 O +ATOM 83 N PRO A 14 -3.764 0.689 10.260 1.00 92.70 N +ATOM 84 CA PRO A 14 -2.734 1.429 9.555 1.00 91.96 C +ATOM 85 C PRO A 14 -2.890 1.301 8.054 1.00 91.91 C +ATOM 86 O PRO A 14 -3.620 0.454 7.558 1.00 89.61 O +ATOM 87 CB PRO A 14 -1.442 0.780 10.042 1.00 89.99 C +ATOM 88 CG PRO A 14 -1.853 -0.627 10.284 1.00 89.43 C +ATOM 89 CD PRO A 14 -3.223 -0.507 10.900 1.00 90.97 C +HETATM 90 N HYP A 15 -2.196 2.160 7.397 1.00 89.57 N +HETATM 91 CA HYP A 15 -2.170 2.048 5.943 1.00 88.47 C +HETATM 92 C HYP A 15 -1.647 0.723 5.496 1.00 90.98 C +HETATM 93 O HYP A 15 -0.849 0.105 6.223 1.00 90.22 O +HETATM 94 CB HYP A 15 -1.181 3.187 5.595 1.00 86.91 C +HETATM 95 CG HYP A 15 -1.256 4.160 6.764 1.00 83.77 C +HETATM 96 CD HYP A 15 -1.458 3.253 7.959 1.00 87.15 C +HETATM 97 OD1 HYP A 15 -2.364 4.999 6.618 1.00 86.22 O +ATOM 98 N GLY A 16 -2.092 0.287 4.345 1.00 92.34 N +ATOM 99 CA GLY A 16 -1.626 -0.958 3.805 1.00 91.47 C +ATOM 100 C GLY A 16 -0.179 -0.820 3.373 1.00 92.71 C +ATOM 101 O GLY A 16 0.382 0.275 3.384 1.00 92.32 O +ATOM 102 N PRO A 17 0.435 -1.944 2.993 1.00 93.53 N +ATOM 103 CA PRO A 17 1.824 -1.905 2.571 1.00 92.95 C +ATOM 104 C PRO A 17 1.983 -1.213 1.231 1.00 93.62 C +ATOM 105 O PRO A 17 1.034 -1.082 0.468 1.00 92.22 O +ATOM 106 CB PRO A 17 2.209 -3.383 2.504 1.00 91.07 C +ATOM 107 CG PRO A 17 0.924 -4.051 2.169 1.00 90.33 C +ATOM 108 CD PRO A 17 -0.110 -3.294 2.960 1.00 91.97 C +HETATM 109 N HYP A 18 3.184 -0.764 0.952 1.00 90.17 N +HETATM 110 CA HYP A 18 3.472 -0.200 -0.328 1.00 92.75 C +HETATM 111 C HYP A 18 3.196 -1.156 -1.446 1.00 90.56 C +HETATM 112 O HYP A 18 3.338 -2.382 -1.260 1.00 90.70 O +HETATM 113 CB HYP A 18 4.985 0.069 -0.224 1.00 88.75 C +HETATM 114 CG HYP A 18 5.246 0.237 1.255 1.00 87.45 C +HETATM 115 CD HYP A 18 4.290 -0.763 1.857 1.00 90.92 C +HETATM 116 OD1 HYP A 18 4.889 1.545 1.667 1.00 88.51 O +ATOM 117 N GLY A 19 2.805 -0.642 -2.574 1.00 92.43 N +ATOM 118 CA GLY A 19 2.563 -1.454 -3.727 1.00 91.78 C +ATOM 119 C GLY A 19 3.874 -1.958 -4.295 1.00 92.30 C +ATOM 120 O GLY A 19 4.949 -1.533 -3.876 1.00 92.01 O +ATOM 121 N PRO A 20 3.801 -2.865 -5.251 1.00 88.73 N +ATOM 122 CA PRO A 20 5.006 -3.405 -5.854 1.00 87.96 C +ATOM 123 C PRO A 20 5.694 -2.379 -6.737 1.00 88.51 C +ATOM 124 O PRO A 20 5.103 -1.386 -7.140 1.00 87.02 O +ATOM 125 CB PRO A 20 4.483 -4.591 -6.656 1.00 84.66 C +ATOM 126 CG PRO A 20 3.115 -4.163 -7.032 1.00 82.05 C +ATOM 127 CD PRO A 20 2.589 -3.451 -5.811 1.00 84.93 C +HETATM 128 N HYP A 21 6.967 -2.622 -7.017 1.00 86.25 N +HETATM 129 CA HYP A 21 7.676 -1.774 -7.921 1.00 87.26 C +HETATM 130 C HYP A 21 7.021 -1.630 -9.282 1.00 83.77 C +HETATM 131 O HYP A 21 6.406 -2.612 -9.741 1.00 90.76 O +HETATM 132 CB HYP A 21 9.043 -2.436 -8.062 1.00 83.42 C +HETATM 133 CG HYP A 21 9.213 -3.206 -6.777 1.00 79.48 C +HETATM 134 CD HYP A 21 7.818 -3.671 -6.478 1.00 86.08 C +HETATM 135 OD1 HYP A 21 9.599 -2.302 -5.738 1.00 86.46 O +ATOM 136 N GLY A 22 7.077 -0.473 -9.865 1.00 88.50 N +ATOM 137 CA GLY A 22 6.497 -0.243 -11.150 1.00 86.19 C +ATOM 138 C GLY A 22 7.305 -0.961 -12.222 1.00 86.52 C +ATOM 139 O GLY A 22 8.337 -1.558 -11.931 1.00 85.08 O +ATOM 140 N PRO A 23 6.859 -0.892 -13.465 1.00 90.81 N +ATOM 141 CA PRO A 23 7.569 -1.560 -14.545 1.00 90.59 C +ATOM 142 C PRO A 23 8.920 -0.922 -14.792 1.00 90.02 C +ATOM 143 O PRO A 23 9.149 0.232 -14.464 1.00 85.92 O +ATOM 144 CB PRO A 23 6.631 -1.409 -15.732 1.00 86.66 C +ATOM 145 CG PRO A 23 5.924 -0.139 -15.437 1.00 84.48 C +ATOM 146 CD PRO A 23 5.683 -0.190 -13.945 1.00 87.88 C +HETATM 147 N HYP A 24 9.795 -1.601 -15.376 1.00 89.86 N +HETATM 148 CA HYP A 24 11.117 -1.056 -15.629 1.00 83.43 C +HETATM 149 C HYP A 24 11.106 0.343 -16.093 1.00 85.49 C +HETATM 150 O HYP A 24 10.995 0.609 -17.293 1.00 81.34 O +HETATM 151 CB HYP A 24 11.756 -2.018 -16.589 1.00 84.42 C +HETATM 152 CG HYP A 24 10.980 -3.294 -16.499 1.00 82.18 C +HETATM 153 CD HYP A 24 9.592 -2.862 -16.054 1.00 87.20 C +HETATM 154 OD1 HYP A 24 11.516 -4.118 -15.481 1.00 83.75 O +HETATM 155 OXT HYP A 24 11.170 1.177 -15.176 1.00 81.00 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_282.txt b/protein_pdb_282.txt new file mode 100644 index 0000000000000000000000000000000000000000..8718caff5af5f695daf4ccc38901523143a96129 --- /dev/null +++ b/protein_pdb_282.txt @@ -0,0 +1,209 @@ +ATOM 1 N GLY A 1 -35.719 30.128 1.003 1.00 93.12 N +ATOM 2 CA GLY A 1 -35.697 28.675 1.121 1.00 94.10 C +ATOM 3 C GLY A 1 -34.397 28.178 1.724 1.00 93.58 C +ATOM 4 O GLY A 1 -33.423 28.927 1.793 1.00 90.63 O +ATOM 5 N ALA A 2 -34.383 26.941 2.164 1.00 97.43 N +ATOM 6 CA ALA A 2 -33.194 26.360 2.771 1.00 97.73 C +ATOM 7 C ALA A 2 -32.165 25.974 1.706 1.00 97.69 C +ATOM 8 O ALA A 2 -32.518 25.667 0.566 1.00 95.83 O +ATOM 9 CB ALA A 2 -33.572 25.131 3.598 1.00 95.99 C +ATOM 10 N ARG A 3 -30.869 25.952 2.099 1.00 96.67 N +ATOM 11 CA ARG A 3 -29.791 25.552 1.194 1.00 97.15 C +ATOM 12 C ARG A 3 -29.974 24.085 0.801 1.00 96.83 C +ATOM 13 O ARG A 3 -30.426 23.265 1.604 1.00 95.25 O +ATOM 14 CB ARG A 3 -28.432 25.774 1.852 1.00 94.67 C +ATOM 15 CG ARG A 3 -27.257 25.340 0.976 1.00 90.12 C +ATOM 16 CD ARG A 3 -25.926 25.647 1.642 1.00 86.85 C +ATOM 17 NE ARG A 3 -25.684 27.073 1.741 1.00 80.78 N +ATOM 18 CZ ARG A 3 -24.611 27.613 2.300 1.00 77.26 C +ATOM 19 NH1 ARG A 3 -23.673 26.838 2.824 1.00 73.22 N +ATOM 20 NH2 ARG A 3 -24.476 28.922 2.337 1.00 71.37 N +ATOM 21 N GLY A 4 -29.611 23.757 -0.434 1.00 97.81 N +ATOM 22 CA GLY A 4 -29.723 22.391 -0.911 1.00 97.60 C +ATOM 23 C GLY A 4 -28.782 21.440 -0.189 1.00 97.93 C +ATOM 24 O GLY A 4 -27.899 21.871 0.547 1.00 98.00 O +ATOM 25 N PRO A 5 -28.948 20.126 -0.407 1.00 97.99 N +ATOM 26 CA PRO A 5 -28.114 19.123 0.253 1.00 97.82 C +ATOM 27 C PRO A 5 -26.685 19.132 -0.276 1.00 98.15 C +ATOM 28 O PRO A 5 -26.412 19.619 -1.381 1.00 97.73 O +ATOM 29 CB PRO A 5 -28.821 17.802 -0.066 1.00 96.88 C +ATOM 30 CG PRO A 5 -29.441 18.065 -1.403 1.00 95.12 C +ATOM 31 CD PRO A 5 -29.941 19.496 -1.297 1.00 97.14 C +ATOM 32 N ALA A 6 -25.757 18.567 0.506 1.00 97.66 N +ATOM 33 CA ALA A 6 -24.362 18.475 0.096 1.00 97.84 C +ATOM 34 C ALA A 6 -24.230 17.522 -1.089 1.00 98.06 C +ATOM 35 O ALA A 6 -25.031 16.596 -1.251 1.00 97.08 O +ATOM 36 CB ALA A 6 -23.503 17.991 1.255 1.00 96.77 C +ATOM 37 N GLY A 7 -23.228 17.749 -1.924 1.00 98.07 N +ATOM 38 CA GLY A 7 -23.003 16.898 -3.079 1.00 97.85 C +ATOM 39 C GLY A 7 -22.523 15.513 -2.686 1.00 98.00 C +ATOM 40 O GLY A 7 -22.224 15.254 -1.519 1.00 98.15 O +ATOM 41 N PRO A 8 -22.432 14.596 -3.660 1.00 98.28 N +ATOM 42 CA PRO A 8 -22.003 13.226 -3.387 1.00 98.25 C +ATOM 43 C PRO A 8 -20.529 13.160 -2.992 1.00 98.35 C +ATOM 44 O PRO A 8 -19.742 14.052 -3.309 1.00 97.88 O +ATOM 45 CB PRO A 8 -22.253 12.495 -4.709 1.00 97.55 C +ATOM 46 CG PRO A 8 -22.087 13.573 -5.725 1.00 96.30 C +ATOM 47 CD PRO A 8 -22.723 14.794 -5.086 1.00 97.85 C +ATOM 48 N GLN A 9 -20.158 12.074 -2.292 1.00 97.51 N +ATOM 49 CA GLN A 9 -18.772 11.877 -1.876 1.00 97.73 C +ATOM 50 C GLN A 9 -17.892 11.697 -3.108 1.00 97.75 C +ATOM 51 O GLN A 9 -18.307 11.102 -4.101 1.00 96.52 O +ATOM 52 CB GLN A 9 -18.671 10.657 -0.964 1.00 96.75 C +ATOM 53 CG GLN A 9 -17.267 10.425 -0.414 1.00 91.17 C +ATOM 54 CD GLN A 9 -17.219 9.265 0.556 1.00 86.20 C +ATOM 55 OE1 GLN A 9 -18.200 8.565 0.761 1.00 85.04 O +ATOM 56 NE2 GLN A 9 -16.056 9.051 1.159 1.00 81.43 N +ATOM 57 N GLY A 10 -16.670 12.210 -3.045 1.00 98.08 N +ATOM 58 CA GLY A 10 -15.741 12.094 -4.151 1.00 97.86 C +ATOM 59 C GLY A 10 -15.272 10.667 -4.375 1.00 98.04 C +ATOM 60 O GLY A 10 -15.540 9.780 -3.560 1.00 98.04 O +ATOM 61 N PRO A 11 -14.554 10.424 -5.483 1.00 98.36 N +ATOM 62 CA PRO A 11 -14.071 9.077 -5.800 1.00 98.28 C +ATOM 63 C PRO A 11 -13.008 8.597 -4.818 1.00 98.38 C +ATOM 64 O PRO A 11 -12.329 9.390 -4.171 1.00 97.99 O +ATOM 65 CB PRO A 11 -13.496 9.228 -7.207 1.00 97.57 C +ATOM 66 CG PRO A 11 -13.044 10.647 -7.247 1.00 96.37 C +ATOM 67 CD PRO A 11 -14.122 11.394 -6.496 1.00 97.74 C +ATOM 68 N ARG A 12 -12.847 7.262 -4.723 1.00 98.47 N +ATOM 69 CA ARG A 12 -11.853 6.666 -3.846 1.00 98.49 C +ATOM 70 C ARG A 12 -10.454 7.002 -4.350 1.00 98.26 C +ATOM 71 O ARG A 12 -10.220 7.069 -5.555 1.00 97.39 O +ATOM 72 CB ARG A 12 -12.045 5.146 -3.793 1.00 97.73 C +ATOM 73 CG ARG A 12 -11.067 4.438 -2.874 1.00 94.58 C +ATOM 74 CD ARG A 12 -11.321 2.951 -2.869 1.00 90.57 C +ATOM 75 NE ARG A 12 -10.387 2.243 -2.018 1.00 85.55 N +ATOM 76 CZ ARG A 12 -10.377 0.933 -1.839 1.00 81.64 C +ATOM 77 NH1 ARG A 12 -11.257 0.166 -2.461 1.00 78.75 N +ATOM 78 NH2 ARG A 12 -9.481 0.377 -1.042 1.00 78.12 N +ATOM 79 N GLY A 13 -9.530 7.207 -3.439 1.00 98.06 N +ATOM 80 CA GLY A 13 -8.152 7.511 -3.802 1.00 97.76 C +ATOM 81 C GLY A 13 -7.457 6.310 -4.425 1.00 97.96 C +ATOM 82 O GLY A 13 -7.945 5.180 -4.333 1.00 97.77 O +ATOM 83 N ASP A 14 -6.303 6.554 -5.061 1.00 98.18 N +ATOM 84 CA ASP A 14 -5.533 5.490 -5.691 1.00 98.35 C +ATOM 85 C ASP A 14 -4.965 4.531 -4.658 1.00 98.32 C +ATOM 86 O ASP A 14 -4.689 4.907 -3.523 1.00 97.56 O +ATOM 87 CB ASP A 14 -4.374 6.063 -6.509 1.00 97.48 C +ATOM 88 CG ASP A 14 -4.834 6.861 -7.709 1.00 94.05 C +ATOM 89 OD1 ASP A 14 -5.923 6.580 -8.245 1.00 91.41 O +ATOM 90 OD2 ASP A 14 -4.094 7.774 -8.115 1.00 90.08 O +ATOM 91 N LYS A 15 -4.767 3.269 -5.063 1.00 98.23 N +ATOM 92 CA LYS A 15 -4.168 2.273 -4.182 1.00 98.37 C +ATOM 93 C LYS A 15 -2.717 2.653 -3.918 1.00 98.38 C +ATOM 94 O LYS A 15 -2.023 3.146 -4.805 1.00 97.73 O +ATOM 95 CB LYS A 15 -4.245 0.884 -4.824 1.00 97.42 C +ATOM 96 CG LYS A 15 -3.667 -0.227 -3.954 1.00 94.02 C +ATOM 97 CD LYS A 15 -3.809 -1.584 -4.617 1.00 90.32 C +ATOM 98 CE LYS A 15 -3.225 -2.683 -3.747 1.00 85.73 C +ATOM 99 NZ LYS A 15 -3.359 -4.018 -4.384 1.00 81.25 N +ATOM 100 N GLY A 16 -2.260 2.414 -2.704 1.00 98.36 N +ATOM 101 CA GLY A 16 -0.882 2.720 -2.350 1.00 98.02 C +ATOM 102 C GLY A 16 0.110 1.868 -3.121 1.00 98.15 C +ATOM 103 O GLY A 16 -0.231 0.784 -3.611 1.00 97.75 O +ATOM 104 N GLU A 17 1.349 2.351 -3.229 1.00 98.27 N +ATOM 105 CA GLU A 17 2.404 1.635 -3.939 1.00 98.10 C +ATOM 106 C GLU A 17 2.850 0.394 -3.153 1.00 98.27 C +ATOM 107 O GLU A 17 2.809 0.370 -1.927 1.00 97.50 O +ATOM 108 CB GLU A 17 3.617 2.540 -4.167 1.00 96.97 C +ATOM 109 CG GLU A 17 3.340 3.765 -5.033 1.00 89.13 C +ATOM 110 CD GLU A 17 3.119 3.431 -6.504 1.00 83.94 C +ATOM 111 OE1 GLU A 17 3.366 2.279 -6.890 1.00 79.80 O +ATOM 112 OE2 GLU A 17 2.706 4.332 -7.250 1.00 79.53 O +ATOM 113 N THR A 18 3.300 -0.638 -3.886 1.00 98.47 N +ATOM 114 CA THR A 18 3.835 -1.838 -3.251 1.00 98.32 C +ATOM 115 C THR A 18 5.145 -1.471 -2.556 1.00 98.34 C +ATOM 116 O THR A 18 5.940 -0.702 -3.084 1.00 97.95 O +ATOM 117 CB THR A 18 4.101 -2.935 -4.297 1.00 97.50 C +ATOM 118 OG1 THR A 18 2.870 -3.294 -4.926 1.00 94.09 O +ATOM 119 CG2 THR A 18 4.717 -4.170 -3.652 1.00 92.74 C +ATOM 120 N GLY A 19 5.364 -2.021 -1.365 1.00 98.35 N +ATOM 121 CA GLY A 19 6.572 -1.729 -0.617 1.00 98.21 C +ATOM 122 C GLY A 19 7.818 -2.280 -1.299 1.00 98.33 C +ATOM 123 O GLY A 19 7.732 -3.107 -2.204 1.00 98.19 O +ATOM 124 N PRO A 20 9.007 -1.827 -0.855 1.00 98.34 N +ATOM 125 CA PRO A 20 10.274 -2.277 -1.437 1.00 98.26 C +ATOM 126 C PRO A 20 10.580 -3.730 -1.084 1.00 98.42 C +ATOM 127 O PRO A 20 10.057 -4.260 -0.115 1.00 98.24 O +ATOM 128 CB PRO A 20 11.299 -1.326 -0.821 1.00 97.38 C +ATOM 129 CG PRO A 20 10.701 -0.988 0.502 1.00 95.66 C +ATOM 130 CD PRO A 20 9.222 -0.854 0.216 1.00 97.47 C +HETATM 131 N HYP A 21 11.462 -4.348 -1.843 1.00 98.08 N +HETATM 132 CA HYP A 21 11.920 -5.690 -1.605 1.00 97.86 C +HETATM 133 C HYP A 21 12.631 -5.806 -0.261 1.00 98.19 C +HETATM 134 O HYP A 21 13.253 -4.812 0.180 1.00 97.57 O +HETATM 135 CB HYP A 21 12.935 -5.947 -2.753 1.00 96.73 C +HETATM 136 CG HYP A 21 12.507 -4.998 -3.828 1.00 96.33 C +HETATM 137 CD HYP A 21 12.024 -3.811 -3.105 1.00 97.30 C +HETATM 138 OD1 HYP A 21 11.499 -5.524 -4.619 1.00 95.93 O +ATOM 139 N GLY A 22 12.519 -6.921 0.380 1.00 98.13 N +ATOM 140 CA GLY A 22 13.206 -7.115 1.629 1.00 98.08 C +ATOM 141 C GLY A 22 14.705 -7.200 1.400 1.00 98.23 C +ATOM 142 O GLY A 22 15.169 -7.311 0.260 1.00 98.17 O +ATOM 143 N PRO A 23 15.503 -7.162 2.484 1.00 97.73 N +ATOM 144 CA PRO A 23 16.955 -7.223 2.371 1.00 97.75 C +ATOM 145 C PRO A 23 17.421 -8.599 1.905 1.00 97.92 C +ATOM 146 O PRO A 23 16.725 -9.591 2.083 1.00 97.38 O +ATOM 147 CB PRO A 23 17.432 -6.912 3.783 1.00 96.68 C +ATOM 148 CG PRO A 23 16.318 -7.404 4.640 1.00 94.94 C +ATOM 149 CD PRO A 23 15.071 -7.036 3.873 1.00 97.17 C +HETATM 150 N HYP A 24 18.618 -8.655 1.360 1.00 97.89 N +HETATM 151 CA HYP A 24 19.218 -9.915 0.932 1.00 96.97 C +HETATM 152 C HYP A 24 19.425 -10.865 2.126 1.00 97.48 C +HETATM 153 O HYP A 24 19.704 -10.400 3.238 1.00 96.88 O +HETATM 154 CB HYP A 24 20.633 -9.455 0.414 1.00 95.48 C +HETATM 155 CG HYP A 24 20.456 -8.021 0.005 1.00 94.92 C +HETATM 156 CD HYP A 24 19.452 -7.487 0.997 1.00 96.72 C +HETATM 157 OD1 HYP A 24 19.937 -7.893 -1.281 1.00 94.69 O +ATOM 158 N GLY A 25 19.267 -12.140 1.869 1.00 97.13 N +ATOM 159 CA GLY A 25 19.470 -13.114 2.903 1.00 96.95 C +ATOM 160 C GLY A 25 20.934 -13.197 3.286 1.00 97.12 C +ATOM 161 O GLY A 25 21.797 -12.657 2.588 1.00 97.06 O +ATOM 162 N PRO A 26 21.255 -13.879 4.392 1.00 97.12 N +ATOM 163 CA PRO A 26 22.637 -14.003 4.840 1.00 96.99 C +ATOM 164 C PRO A 26 23.457 -14.872 3.899 1.00 97.01 C +ATOM 165 O PRO A 26 22.919 -15.728 3.203 1.00 96.21 O +ATOM 166 CB PRO A 26 22.498 -14.633 6.225 1.00 95.41 C +ATOM 167 CG PRO A 26 21.239 -15.418 6.126 1.00 93.57 C +ATOM 168 CD PRO A 26 20.326 -14.554 5.299 1.00 96.45 C +HETATM 169 N HYP A 27 24.768 -14.692 3.921 1.00 97.15 N +HETATM 170 CA HYP A 27 25.638 -15.497 3.088 1.00 95.89 C +HETATM 171 C HYP A 27 25.660 -16.956 3.529 1.00 96.95 C +HETATM 172 O HYP A 27 25.466 -17.259 4.689 1.00 96.37 O +HETATM 173 CB HYP A 27 27.086 -14.894 3.480 1.00 95.18 C +HETATM 174 CG HYP A 27 26.841 -13.487 3.994 1.00 93.33 C +HETATM 175 CD HYP A 27 25.482 -13.607 4.664 1.00 95.46 C +HETATM 176 OD1 HYP A 27 26.758 -12.559 2.941 1.00 92.78 O +ATOM 177 N GLY A 28 25.859 -17.829 2.570 1.00 95.94 N +ATOM 178 CA GLY A 28 25.934 -19.230 2.884 1.00 95.97 C +ATOM 179 C GLY A 28 27.220 -19.531 3.638 1.00 96.41 C +ATOM 180 O GLY A 28 28.098 -18.681 3.750 1.00 96.23 O +ATOM 181 N PRO A 29 27.364 -20.752 4.154 1.00 96.12 N +ATOM 182 CA PRO A 29 28.568 -21.118 4.895 1.00 96.07 C +ATOM 183 C PRO A 29 29.781 -21.163 3.975 1.00 96.14 C +ATOM 184 O PRO A 29 29.656 -21.385 2.776 1.00 94.90 O +ATOM 185 CB PRO A 29 28.223 -22.496 5.454 1.00 94.23 C +ATOM 186 CG PRO A 29 27.241 -23.033 4.477 1.00 92.34 C +ATOM 187 CD PRO A 29 26.404 -21.842 4.089 1.00 95.32 C +HETATM 188 N HYP A 30 31.010 -21.001 4.548 1.00 96.46 N +HETATM 189 CA HYP A 30 32.182 -21.032 3.751 1.00 94.85 C +HETATM 190 C HYP A 30 32.465 -22.381 3.184 1.00 95.68 C +HETATM 191 O HYP A 30 32.223 -23.383 3.826 1.00 94.66 O +HETATM 192 CB HYP A 30 33.344 -20.734 4.849 1.00 94.08 C +HETATM 193 CG HYP A 30 32.660 -20.039 5.989 1.00 92.53 C +HETATM 194 CD HYP A 30 31.243 -20.612 5.950 1.00 94.34 C +HETATM 195 OD1 HYP A 30 32.605 -18.642 5.770 1.00 91.17 O +ATOM 196 N GLY A 31 32.939 -22.402 1.872 1.00 91.88 N +ATOM 197 CA GLY A 31 33.240 -23.646 1.217 1.00 90.59 C +ATOM 198 C GLY A 31 34.513 -24.246 1.785 1.00 88.94 C +ATOM 199 O GLY A 31 35.316 -23.549 2.416 1.00 85.08 O +ATOM 200 N VAL A 32 34.719 -25.551 1.561 1.00 94.01 N +ATOM 201 CA VAL A 32 35.914 -26.245 2.040 1.00 92.33 C +ATOM 202 C VAL A 32 36.576 -27.047 0.920 1.00 87.99 C +ATOM 203 O VAL A 32 37.763 -27.363 1.037 1.00 84.08 O +ATOM 204 CB VAL A 32 35.581 -27.176 3.232 1.00 85.28 C +ATOM 205 CG1 VAL A 32 35.117 -26.345 4.413 1.00 76.00 C +ATOM 206 CG2 VAL A 32 34.506 -28.181 2.841 1.00 78.61 C +ATOM 207 OXT VAL A 32 35.933 -27.345 -0.099 1.00 76.38 O +TER 208 VAL A 32 +END diff --git a/protein_pdb_283.txt b/protein_pdb_283.txt new file mode 100644 index 0000000000000000000000000000000000000000..7bb01923020ff181a239e0b1fa514b36ac96b161 --- /dev/null +++ b/protein_pdb_283.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 7.051 31.423 8.439 1.00 89.74 N +ATOM 2 CA GLY A 1 6.025 31.045 7.467 1.00 91.43 C +ATOM 3 C GLY A 1 5.329 29.765 7.869 1.00 91.43 C +ATOM 4 O GLY A 1 5.702 29.143 8.867 1.00 89.06 O +ATOM 5 N PRO A 2 4.329 29.337 7.117 1.00 92.84 N +ATOM 6 CA PRO A 2 3.608 28.110 7.435 1.00 93.78 C +ATOM 7 C PRO A 2 4.469 26.884 7.202 1.00 94.03 C +ATOM 8 O PRO A 2 5.457 26.929 6.485 1.00 93.05 O +ATOM 9 CB PRO A 2 2.413 28.150 6.485 1.00 92.04 C +ATOM 10 CG PRO A 2 2.945 28.892 5.305 1.00 88.71 C +ATOM 11 CD PRO A 2 3.807 29.976 5.916 1.00 90.25 C +HETATM 12 N HYP A 3 4.132 25.896 7.807 1.00 90.97 N +HETATM 13 CA HYP A 3 4.779 24.545 7.600 1.00 89.76 C +HETATM 14 C HYP A 3 4.719 24.134 6.139 1.00 88.58 C +HETATM 15 O HYP A 3 3.760 24.486 5.431 1.00 91.47 O +HETATM 16 CB HYP A 3 3.935 23.656 8.501 1.00 88.57 C +HETATM 17 CG HYP A 3 3.346 24.571 9.585 1.00 85.48 C +HETATM 18 CD HYP A 3 3.051 25.873 8.790 1.00 88.47 C +HETATM 19 OD1 HYP A 3 4.271 24.834 10.588 1.00 90.51 O +ATOM 20 N GLY A 4 5.745 23.416 5.702 1.00 92.10 N +ATOM 21 CA GLY A 4 5.776 22.945 4.343 1.00 90.65 C +ATOM 22 C GLY A 4 4.721 21.860 4.123 1.00 90.61 C +ATOM 23 O GLY A 4 4.109 21.379 5.077 1.00 90.40 O +ATOM 24 N PRO A 5 4.515 21.466 2.869 1.00 92.74 N +ATOM 25 CA PRO A 5 3.518 20.437 2.573 1.00 92.16 C +ATOM 26 C PRO A 5 3.976 19.068 3.056 1.00 92.24 C +ATOM 27 O PRO A 5 5.159 18.825 3.242 1.00 91.94 O +ATOM 28 CB PRO A 5 3.411 20.492 1.048 1.00 90.97 C +ATOM 29 CG PRO A 5 4.778 20.921 0.632 1.00 89.08 C +ATOM 30 CD PRO A 5 5.182 21.950 1.669 1.00 90.62 C +HETATM 31 N HYP A 6 3.037 18.237 3.277 1.00 89.48 N +HETATM 32 CA HYP A 6 3.361 16.806 3.611 1.00 92.88 C +HETATM 33 C HYP A 6 4.152 16.141 2.535 1.00 89.27 C +HETATM 34 O HYP A 6 4.057 16.529 1.359 1.00 88.71 O +HETATM 35 CB HYP A 6 1.943 16.198 3.745 1.00 83.11 C +HETATM 36 CG HYP A 6 0.997 17.343 4.077 1.00 83.52 C +HETATM 37 CD HYP A 6 1.611 18.485 3.285 1.00 85.11 C +HETATM 38 OD1 HYP A 6 0.990 17.641 5.450 1.00 86.33 O +ATOM 39 N GLY A 7 4.952 15.147 2.892 1.00 91.82 N +ATOM 40 CA GLY A 7 5.738 14.410 1.937 1.00 90.15 C +ATOM 41 C GLY A 7 4.839 13.579 1.031 1.00 90.00 C +ATOM 42 O GLY A 7 3.628 13.483 1.252 1.00 88.95 O +ATOM 43 N PRO A 8 5.424 12.960 0.015 1.00 91.54 N +ATOM 44 CA PRO A 8 4.639 12.142 -0.911 1.00 91.05 C +ATOM 45 C PRO A 8 4.125 10.874 -0.243 1.00 91.02 C +ATOM 46 O PRO A 8 4.668 10.415 0.752 1.00 89.90 O +ATOM 47 CB PRO A 8 5.625 11.833 -2.029 1.00 89.28 C +ATOM 48 CG PRO A 8 6.938 11.837 -1.327 1.00 88.49 C +ATOM 49 CD PRO A 8 6.829 12.978 -0.335 1.00 90.04 C +HETATM 50 N HYP A 9 3.091 10.316 -0.778 1.00 88.17 N +HETATM 51 CA HYP A 9 2.546 9.053 -0.311 1.00 88.77 C +HETATM 52 C HYP A 9 3.539 7.965 -0.440 1.00 86.88 C +HETATM 53 O HYP A 9 4.382 7.986 -1.351 1.00 85.08 O +HETATM 54 CB HYP A 9 1.335 8.848 -1.262 1.00 83.60 C +HETATM 55 CG HYP A 9 0.951 10.218 -1.727 1.00 82.42 C +HETATM 56 CD HYP A 9 2.268 10.923 -1.803 1.00 87.08 C +HETATM 57 OD1 HYP A 9 0.103 10.847 -0.791 1.00 82.28 O +ATOM 58 N GLY A 10 3.444 6.949 0.419 1.00 87.98 N +ATOM 59 CA GLY A 10 4.324 5.806 0.362 1.00 85.11 C +ATOM 60 C GLY A 10 4.096 5.010 -0.912 1.00 84.54 C +ATOM 61 O GLY A 10 3.062 5.147 -1.574 1.00 82.51 O +ATOM 62 N ALA A 11 5.068 4.162 -1.241 1.00 86.99 N +ATOM 63 CA ALA A 11 4.956 3.328 -2.428 1.00 87.11 C +ATOM 64 C ALA A 11 3.816 2.334 -2.284 1.00 86.87 C +ATOM 65 O ALA A 11 3.488 1.888 -1.182 1.00 84.27 O +ATOM 66 CB ALA A 11 6.270 2.584 -2.663 1.00 84.73 C +ATOM 67 N LYS A 12 3.207 1.985 -3.403 1.00 84.50 N +ATOM 68 CA LYS A 12 2.122 1.007 -3.388 1.00 84.62 C +ATOM 69 C LYS A 12 2.685 -0.329 -2.905 1.00 85.32 C +ATOM 70 O LYS A 12 3.815 -0.688 -3.225 1.00 81.93 O +ATOM 71 CB LYS A 12 1.524 0.868 -4.795 1.00 79.56 C +ATOM 72 CG LYS A 12 0.332 -0.086 -4.866 1.00 75.16 C +ATOM 73 CD LYS A 12 -0.258 -0.149 -6.250 1.00 71.90 C +ATOM 74 CE LYS A 12 -1.468 -1.087 -6.310 1.00 68.38 C +ATOM 75 NZ LYS A 12 -2.041 -1.154 -7.667 1.00 64.49 N +ATOM 76 N GLY A 13 1.872 -1.028 -2.123 1.00 84.67 N +ATOM 77 CA GLY A 13 2.296 -2.316 -1.605 1.00 83.04 C +ATOM 78 C GLY A 13 2.520 -3.338 -2.700 1.00 83.91 C +ATOM 79 O GLY A 13 2.109 -3.137 -3.846 1.00 83.40 O +ATOM 80 N PRO A 14 3.170 -4.464 -2.365 1.00 84.11 N +ATOM 81 CA PRO A 14 3.441 -5.500 -3.351 1.00 85.58 C +ATOM 82 C PRO A 14 2.170 -6.225 -3.758 1.00 85.91 C +ATOM 83 O PRO A 14 1.170 -6.206 -3.056 1.00 85.31 O +ATOM 84 CB PRO A 14 4.403 -6.433 -2.622 1.00 84.26 C +ATOM 85 CG PRO A 14 4.004 -6.292 -1.193 1.00 82.62 C +ATOM 86 CD PRO A 14 3.698 -4.819 -1.047 1.00 82.39 C +HETATM 87 N HYP A 15 2.201 -6.878 -4.902 1.00 81.16 N +HETATM 88 CA HYP A 15 1.121 -7.703 -5.370 1.00 72.88 C +HETATM 89 C HYP A 15 0.796 -8.842 -4.383 1.00 78.58 C +HETATM 90 O HYP A 15 1.700 -9.242 -3.620 1.00 76.38 O +HETATM 91 CB HYP A 15 1.720 -8.249 -6.683 1.00 77.53 C +HETATM 92 CG HYP A 15 2.702 -7.195 -7.128 1.00 76.15 C +HETATM 93 CD HYP A 15 3.260 -6.725 -5.842 1.00 79.70 C +HETATM 94 OD1 HYP A 15 2.054 -6.146 -7.804 1.00 79.08 O +ATOM 95 N GLY A 16 -0.393 -9.289 -4.379 1.00 86.71 N +ATOM 96 CA GLY A 16 -0.751 -10.388 -3.527 1.00 84.95 C +ATOM 97 C GLY A 16 -0.098 -11.673 -4.008 1.00 85.03 C +ATOM 98 O GLY A 16 0.490 -11.716 -5.095 1.00 86.11 O +ATOM 99 N PRO A 17 -0.197 -12.749 -3.212 1.00 82.00 N +ATOM 100 CA PRO A 17 0.406 -14.021 -3.594 1.00 83.38 C +ATOM 101 C PRO A 17 -0.334 -14.652 -4.762 1.00 84.02 C +ATOM 102 O PRO A 17 -1.503 -14.367 -5.003 1.00 85.27 O +ATOM 103 CB PRO A 17 0.289 -14.860 -2.326 1.00 82.31 C +ATOM 104 CG PRO A 17 -0.931 -14.311 -1.667 1.00 79.77 C +ATOM 105 CD PRO A 17 -0.850 -12.820 -1.911 1.00 78.55 C +HETATM 106 N HYP A 18 0.306 -15.519 -5.468 1.00 82.89 N +HETATM 107 CA HYP A 18 -0.290 -16.276 -6.538 1.00 84.48 C +HETATM 108 C HYP A 18 -1.465 -17.149 -6.069 1.00 77.55 C +HETATM 109 O HYP A 18 -1.500 -17.533 -4.892 1.00 83.75 O +HETATM 110 CB HYP A 18 0.865 -17.149 -7.018 1.00 81.71 C +HETATM 111 CG HYP A 18 2.109 -16.390 -6.666 1.00 79.37 C +HETATM 112 CD HYP A 18 1.718 -15.740 -5.367 1.00 82.93 C +HETATM 113 OD1 HYP A 18 2.408 -15.410 -7.626 1.00 85.46 O +ATOM 114 N GLY A 19 -2.408 -17.392 -6.925 1.00 86.60 N +ATOM 115 CA GLY A 19 -3.524 -18.224 -6.590 1.00 84.49 C +ATOM 116 C GLY A 19 -3.076 -19.667 -6.399 1.00 84.21 C +ATOM 117 O GLY A 19 -1.920 -20.007 -6.654 1.00 83.49 O +ATOM 118 N PRO A 20 -3.993 -20.535 -5.971 1.00 85.61 N +ATOM 119 CA PRO A 20 -3.647 -21.935 -5.750 1.00 84.95 C +ATOM 120 C PRO A 20 -3.391 -22.661 -7.059 1.00 85.41 C +ATOM 121 O PRO A 20 -3.805 -22.205 -8.120 1.00 84.63 O +ATOM 122 CB PRO A 20 -4.876 -22.477 -5.022 1.00 82.18 C +ATOM 123 CG PRO A 20 -5.985 -21.630 -5.556 1.00 79.17 C +ATOM 124 CD PRO A 20 -5.381 -20.250 -5.648 1.00 79.16 C +HETATM 125 N HYP A 21 -2.728 -23.784 -7.009 1.00 88.06 N +HETATM 126 CA HYP A 21 -2.498 -24.619 -8.162 1.00 87.08 C +HETATM 127 C HYP A 21 -3.792 -25.120 -8.821 1.00 83.86 C +HETATM 128 O HYP A 21 -4.798 -25.239 -8.120 1.00 89.12 O +HETATM 129 CB HYP A 21 -1.719 -25.816 -7.558 1.00 85.67 C +HETATM 130 CG HYP A 21 -1.034 -25.256 -6.325 1.00 80.27 C +HETATM 131 CD HYP A 21 -2.043 -24.254 -5.814 1.00 85.65 C +HETATM 132 OD1 HYP A 21 0.159 -24.566 -6.663 1.00 87.31 O +ATOM 133 N GLY A 22 -3.799 -25.271 -10.126 1.00 87.61 N +ATOM 134 CA GLY A 22 -4.959 -25.709 -10.848 1.00 86.66 C +ATOM 135 C GLY A 22 -5.343 -27.129 -10.468 1.00 86.94 C +ATOM 136 O GLY A 22 -4.606 -27.806 -9.747 1.00 85.39 O +ATOM 137 N PRO A 23 -6.482 -27.630 -10.971 1.00 88.81 N +ATOM 138 CA PRO A 23 -6.922 -28.981 -10.663 1.00 89.26 C +ATOM 139 C PRO A 23 -5.919 -30.011 -11.141 1.00 88.63 C +ATOM 140 O PRO A 23 -5.214 -29.783 -12.126 1.00 84.95 O +ATOM 141 CB PRO A 23 -8.243 -29.106 -11.414 1.00 85.84 C +ATOM 142 CG PRO A 23 -8.714 -27.697 -11.511 1.00 83.21 C +ATOM 143 CD PRO A 23 -7.458 -26.909 -11.760 1.00 85.56 C +HETATM 144 N HYP A 24 -5.853 -31.183 -10.540 1.00 88.47 N +HETATM 145 CA HYP A 24 -4.911 -32.174 -11.065 1.00 87.02 C +HETATM 146 C HYP A 24 -5.348 -32.544 -12.460 1.00 87.69 C +HETATM 147 O HYP A 24 -4.655 -32.053 -13.319 1.00 86.85 O +HETATM 148 CB HYP A 24 -5.134 -33.412 -10.121 1.00 87.66 C +HETATM 149 CG HYP A 24 -5.750 -32.874 -8.866 1.00 84.74 C +HETATM 150 CD HYP A 24 -6.518 -31.623 -9.320 1.00 87.09 C +HETATM 151 OD1 HYP A 24 -4.738 -32.480 -7.963 1.00 82.05 O +HETATM 152 OXT HYP A 24 -6.391 -33.223 -12.659 1.00 82.25 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_284.txt b/protein_pdb_284.txt new file mode 100644 index 0000000000000000000000000000000000000000..c3fb8b9c1019e55c744ff17f14c5e8c7628d48a9 --- /dev/null +++ b/protein_pdb_284.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -8.024 14.562 1.665 1.00 93.84 N +ATOM 2 CA GLY A 1 -8.213 13.452 0.794 1.00 94.71 C +ATOM 3 C GLY A 1 -8.418 12.141 1.516 1.00 95.50 C +ATOM 4 O GLY A 1 -8.111 12.024 2.700 1.00 94.21 O +ATOM 5 N PRO A 2 -8.895 11.170 0.819 1.00 93.64 N +ATOM 6 CA PRO A 2 -9.143 9.865 1.411 1.00 93.95 C +ATOM 7 C PRO A 2 -7.863 9.079 1.612 1.00 93.83 C +ATOM 8 O PRO A 2 -6.825 9.397 1.039 1.00 92.34 O +ATOM 9 CB PRO A 2 -10.050 9.194 0.378 1.00 91.46 C +ATOM 10 CG PRO A 2 -9.620 9.803 -0.909 1.00 88.68 C +ATOM 11 CD PRO A 2 -9.284 11.232 -0.578 1.00 91.35 C +HETATM 12 N HYP A 3 -7.970 8.046 2.426 1.00 95.15 N +HETATM 13 CA HYP A 3 -6.823 7.166 2.631 1.00 92.48 C +HETATM 14 C HYP A 3 -6.424 6.458 1.339 1.00 95.38 C +HETATM 15 O HYP A 3 -7.301 6.201 0.478 1.00 94.89 O +HETATM 16 CB HYP A 3 -7.413 6.087 3.621 1.00 92.70 C +HETATM 17 CG HYP A 3 -8.507 6.844 4.369 1.00 90.36 C +HETATM 18 CD HYP A 3 -9.093 7.772 3.258 1.00 92.96 C +HETATM 19 OD1 HYP A 3 -7.901 7.623 5.359 1.00 91.73 O +ATOM 20 N GLY A 4 -5.153 6.224 1.184 1.00 94.31 N +ATOM 21 CA GLY A 4 -4.662 5.521 0.032 1.00 93.87 C +ATOM 22 C GLY A 4 -5.063 4.058 0.063 1.00 94.20 C +ATOM 23 O GLY A 4 -5.564 3.553 1.069 1.00 94.34 O +ATOM 24 N PRO A 5 -4.846 3.355 -1.046 1.00 94.14 N +ATOM 25 CA PRO A 5 -5.197 1.943 -1.115 1.00 94.09 C +ATOM 26 C PRO A 5 -4.245 1.094 -0.288 1.00 93.80 C +ATOM 27 O PRO A 5 -3.147 1.521 0.057 1.00 92.84 O +ATOM 28 CB PRO A 5 -5.076 1.624 -2.602 1.00 92.55 C +ATOM 29 CG PRO A 5 -4.030 2.575 -3.084 1.00 91.10 C +ATOM 30 CD PRO A 5 -4.240 3.834 -2.281 1.00 93.51 C +HETATM 31 N HYP A 6 -4.716 -0.124 0.022 1.00 94.56 N +HETATM 32 CA HYP A 6 -3.859 -1.081 0.696 1.00 94.15 C +HETATM 33 C HYP A 6 -2.623 -1.383 -0.128 1.00 94.35 C +HETATM 34 O HYP A 6 -2.665 -1.291 -1.381 1.00 94.70 O +HETATM 35 CB HYP A 6 -4.770 -2.338 0.794 1.00 90.87 C +HETATM 36 CG HYP A 6 -6.174 -1.776 0.805 1.00 91.27 C +HETATM 37 CD HYP A 6 -6.076 -0.610 -0.181 1.00 93.10 C +HETATM 38 OD1 HYP A 6 -6.464 -1.293 2.093 1.00 90.64 O +ATOM 39 N GLY A 7 -1.541 -1.663 0.519 1.00 94.73 N +ATOM 40 CA GLY A 7 -0.325 -2.024 -0.155 1.00 94.55 C +ATOM 41 C GLY A 7 -0.482 -3.331 -0.908 1.00 94.94 C +ATOM 42 O GLY A 7 -1.445 -4.071 -0.721 1.00 94.66 O +ATOM 43 N PRO A 8 0.472 -3.631 -1.769 1.00 94.60 N +ATOM 44 CA PRO A 8 0.391 -4.836 -2.566 1.00 94.55 C +ATOM 45 C PRO A 8 0.629 -6.102 -1.752 1.00 94.62 C +ATOM 46 O PRO A 8 1.359 -6.092 -0.767 1.00 92.59 O +ATOM 47 CB PRO A 8 1.478 -4.649 -3.626 1.00 92.40 C +ATOM 48 CG PRO A 8 2.450 -3.728 -2.999 1.00 90.96 C +ATOM 49 CD PRO A 8 1.653 -2.829 -2.096 1.00 93.43 C +HETATM 50 N HYP A 9 -0.007 -7.183 -2.256 1.00 94.29 N +HETATM 51 CA HYP A 9 0.154 -8.472 -1.623 1.00 94.05 C +HETATM 52 C HYP A 9 1.540 -9.006 -1.951 1.00 94.38 C +HETATM 53 O HYP A 9 2.207 -8.537 -2.844 1.00 93.68 O +HETATM 54 CB HYP A 9 -0.776 -9.421 -2.423 1.00 91.19 C +HETATM 55 CG HYP A 9 -1.722 -8.549 -3.139 1.00 90.89 C +HETATM 56 CD HYP A 9 -0.982 -7.272 -3.376 1.00 92.60 C +HETATM 57 OD1 HYP A 9 -2.812 -8.286 -2.275 1.00 90.74 O +ATOM 58 N GLY A 10 2.015 -10.027 -1.425 1.00 92.50 N +ATOM 59 CA GLY A 10 3.236 -10.670 -1.832 1.00 91.29 C +ATOM 60 C GLY A 10 3.650 -11.737 -0.848 1.00 91.24 C +ATOM 61 O GLY A 10 3.039 -11.915 0.197 1.00 89.61 O +ATOM 62 N ILE A 11 4.715 -12.437 -1.196 1.00 92.77 N +ATOM 63 CA ILE A 11 5.197 -13.503 -0.327 1.00 93.22 C +ATOM 64 C ILE A 11 5.699 -12.965 1.001 1.00 93.08 C +ATOM 65 O ILE A 11 5.888 -13.729 1.947 1.00 90.24 O +ATOM 66 CB ILE A 11 6.296 -14.331 -1.023 1.00 92.16 C +ATOM 67 CG1 ILE A 11 7.497 -13.455 -1.340 1.00 88.85 C +ATOM 68 CG2 ILE A 11 5.749 -14.999 -2.270 1.00 86.87 C +ATOM 69 CD1 ILE A 11 8.714 -14.275 -1.788 1.00 80.75 C +ATOM 70 N GLU A 12 5.933 -11.674 1.067 1.00 91.12 N +ATOM 71 CA GLU A 12 6.421 -11.067 2.296 1.00 91.73 C +ATOM 72 C GLU A 12 5.309 -10.649 3.240 1.00 91.62 C +ATOM 73 O GLU A 12 5.591 -10.156 4.336 1.00 87.35 O +ATOM 74 CB GLU A 12 7.320 -9.881 1.963 1.00 88.10 C +ATOM 75 CG GLU A 12 8.415 -10.252 0.978 1.00 81.63 C +ATOM 76 CD GLU A 12 9.622 -9.353 1.032 1.00 76.66 C +ATOM 77 OE1 GLU A 12 10.081 -9.040 2.146 1.00 70.75 O +ATOM 78 OE2 GLU A 12 10.105 -8.975 -0.042 1.00 72.24 O +ATOM 79 N GLY A 13 4.066 -10.841 2.840 1.00 94.77 N +ATOM 80 CA GLY A 13 2.971 -10.530 3.733 1.00 94.18 C +ATOM 81 C GLY A 13 1.699 -10.159 3.015 1.00 94.93 C +ATOM 82 O GLY A 13 1.654 -10.097 1.788 1.00 94.52 O +ATOM 83 N PRO A 14 0.661 -9.921 3.788 1.00 95.20 N +ATOM 84 CA PRO A 14 -0.626 -9.520 3.231 1.00 95.36 C +ATOM 85 C PRO A 14 -0.569 -8.078 2.736 1.00 95.41 C +ATOM 86 O PRO A 14 0.450 -7.409 2.866 1.00 93.90 O +ATOM 87 CB PRO A 14 -1.580 -9.674 4.410 1.00 93.69 C +ATOM 88 CG PRO A 14 -0.727 -9.398 5.594 1.00 92.33 C +ATOM 89 CD PRO A 14 0.624 -9.961 5.256 1.00 94.03 C +HETATM 90 N HYP A 15 -1.715 -7.640 2.194 1.00 94.57 N +HETATM 91 CA HYP A 15 -1.778 -6.277 1.751 1.00 94.97 C +HETATM 92 C HYP A 15 -1.381 -5.335 2.849 1.00 95.58 C +HETATM 93 O HYP A 15 -1.695 -5.602 4.044 1.00 94.84 O +HETATM 94 CB HYP A 15 -3.253 -6.056 1.384 1.00 92.98 C +HETATM 95 CG HYP A 15 -3.737 -7.427 1.024 1.00 91.19 C +HETATM 96 CD HYP A 15 -2.994 -8.330 1.998 1.00 93.26 C +HETATM 97 OD1 HYP A 15 -3.365 -7.714 -0.277 1.00 91.06 O +ATOM 98 N GLY A 16 -0.680 -4.311 2.499 1.00 96.04 N +ATOM 99 CA GLY A 16 -0.300 -3.318 3.466 1.00 95.87 C +ATOM 100 C GLY A 16 -1.498 -2.513 3.923 1.00 96.31 C +ATOM 101 O GLY A 16 -2.593 -2.634 3.371 1.00 95.95 O +ATOM 102 N PRO A 17 -1.294 -1.697 4.938 1.00 93.43 N +ATOM 103 CA PRO A 17 -2.382 -0.862 5.431 1.00 93.65 C +ATOM 104 C PRO A 17 -2.715 0.240 4.437 1.00 93.82 C +ATOM 105 O PRO A 17 -1.936 0.546 3.541 1.00 92.28 O +ATOM 106 CB PRO A 17 -1.824 -0.294 6.732 1.00 91.83 C +ATOM 107 CG PRO A 17 -0.358 -0.299 6.530 1.00 90.36 C +ATOM 108 CD PRO A 17 -0.051 -1.493 5.675 1.00 92.62 C +HETATM 109 N HYP A 18 -3.907 0.818 4.612 1.00 94.17 N +HETATM 110 CA HYP A 18 -4.262 1.932 3.800 1.00 91.65 C +HETATM 111 C HYP A 18 -3.284 3.069 3.921 1.00 94.76 C +HETATM 112 O HYP A 18 -2.686 3.258 5.008 1.00 93.55 O +HETATM 113 CB HYP A 18 -5.646 2.335 4.397 1.00 91.04 C +HETATM 114 CG HYP A 18 -6.193 1.037 4.963 1.00 89.27 C +HETATM 115 CD HYP A 18 -4.954 0.381 5.530 1.00 92.68 C +HETATM 116 OD1 HYP A 18 -6.728 0.247 3.930 1.00 90.13 O +ATOM 117 N GLY A 19 -3.058 3.750 2.849 1.00 93.03 N +ATOM 118 CA GLY A 19 -2.170 4.880 2.869 1.00 92.98 C +ATOM 119 C GLY A 19 -2.730 5.999 3.721 1.00 93.40 C +ATOM 120 O GLY A 19 -3.882 5.962 4.149 1.00 93.73 O +ATOM 121 N PRO A 20 -1.907 6.998 3.975 1.00 89.83 N +ATOM 122 CA PRO A 20 -2.348 8.114 4.796 1.00 90.46 C +ATOM 123 C PRO A 20 -3.369 8.973 4.075 1.00 90.21 C +ATOM 124 O PRO A 20 -3.440 8.989 2.852 1.00 89.74 O +ATOM 125 CB PRO A 20 -1.058 8.889 5.049 1.00 88.43 C +ATOM 126 CG PRO A 20 -0.220 8.583 3.858 1.00 86.17 C +ATOM 127 CD PRO A 20 -0.539 7.154 3.504 1.00 89.20 C +HETATM 128 N HYP A 21 -4.146 9.662 4.866 1.00 93.75 N +HETATM 129 CA HYP A 21 -5.080 10.596 4.301 1.00 92.36 C +HETATM 130 C HYP A 21 -4.409 11.692 3.521 1.00 94.47 C +HETATM 131 O HYP A 21 -3.303 12.109 3.890 1.00 94.44 O +HETATM 132 CB HYP A 21 -5.782 11.215 5.543 1.00 91.30 C +HETATM 133 CG HYP A 21 -5.598 10.193 6.658 1.00 90.04 C +HETATM 134 CD HYP A 21 -4.241 9.594 6.345 1.00 93.02 C +HETATM 135 OD1 HYP A 21 -6.592 9.174 6.511 1.00 90.78 O +ATOM 136 N GLY A 22 -4.961 12.067 2.433 1.00 93.80 N +ATOM 137 CA GLY A 22 -4.451 13.192 1.706 1.00 92.99 C +ATOM 138 C GLY A 22 -4.776 14.474 2.455 1.00 93.12 C +ATOM 139 O GLY A 22 -5.513 14.463 3.438 1.00 92.52 O +ATOM 140 N PRO A 23 -4.241 15.597 2.004 1.00 94.51 N +ATOM 141 CA PRO A 23 -4.555 16.864 2.647 1.00 94.39 C +ATOM 142 C PRO A 23 -5.981 17.263 2.299 1.00 93.52 C +ATOM 143 O PRO A 23 -6.299 17.498 1.135 1.00 90.21 O +ATOM 144 CB PRO A 23 -3.528 17.828 2.060 1.00 91.99 C +ATOM 145 CG PRO A 23 -3.157 17.232 0.751 1.00 89.46 C +ATOM 146 CD PRO A 23 -3.306 15.740 0.903 1.00 92.33 C +HETATM 147 N HYP A 24 -6.845 17.172 3.187 1.00 96.26 N +HETATM 148 CA HYP A 24 -8.308 17.013 2.828 1.00 92.03 C +HETATM 149 C HYP A 24 -8.801 15.858 2.236 1.00 95.89 C +HETATM 150 O HYP A 24 -9.666 15.981 1.217 1.00 94.01 O +HETATM 151 CB HYP A 24 -9.057 17.707 3.930 1.00 91.61 C +HETATM 152 CG HYP A 24 -8.052 18.487 4.697 1.00 91.26 C +HETATM 153 CD HYP A 24 -6.640 18.005 4.301 1.00 93.66 C +HETATM 154 OD1 HYP A 24 -8.310 19.244 5.719 1.00 91.30 O +HETATM 155 OXT HYP A 24 -9.353 14.866 3.041 1.00 90.49 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_285.txt b/protein_pdb_285.txt new file mode 100644 index 0000000000000000000000000000000000000000..c0a4a64417b56ac4b0d6d0e4cb55d7d4783a7721 --- /dev/null +++ b/protein_pdb_285.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 1.951 -11.573 7.549 1.00 84.54 N +ATOM 2 CA GLY A 1 3.032 -10.730 7.047 1.00 85.90 C +ATOM 3 C GLY A 1 2.704 -9.277 7.201 1.00 87.10 C +ATOM 4 O GLY A 1 1.604 -8.919 7.612 1.00 84.35 O +ATOM 5 N PRO A 2 3.639 -8.411 6.863 1.00 85.11 N +ATOM 6 CA PRO A 2 3.421 -6.978 7.012 1.00 86.87 C +ATOM 7 C PRO A 2 2.443 -6.444 5.981 1.00 87.31 C +ATOM 8 O PRO A 2 2.191 -7.064 4.959 1.00 85.22 O +ATOM 9 CB PRO A 2 4.811 -6.385 6.810 1.00 83.81 C +ATOM 10 CG PRO A 2 5.499 -7.373 5.938 1.00 78.97 C +ATOM 11 CD PRO A 2 4.978 -8.715 6.348 1.00 78.53 C +HETATM 12 N HYP A 3 1.916 -5.328 6.297 1.00 85.87 N +HETATM 13 CA HYP A 3 1.038 -4.623 5.338 1.00 85.45 C +HETATM 14 C HYP A 3 1.734 -4.318 4.038 1.00 86.87 C +HETATM 15 O HYP A 3 2.970 -4.081 4.046 1.00 90.28 O +HETATM 16 CB HYP A 3 0.727 -3.279 6.090 1.00 86.38 C +HETATM 17 CG HYP A 3 0.874 -3.621 7.571 1.00 83.72 C +HETATM 18 CD HYP A 3 2.066 -4.614 7.559 1.00 85.73 C +HETATM 19 OD1 HYP A 3 -0.282 -4.306 8.001 1.00 87.06 O +ATOM 20 N GLY A 4 0.998 -4.392 2.971 1.00 91.94 N +ATOM 21 CA GLY A 4 1.544 -4.054 1.688 1.00 91.95 C +ATOM 22 C GLY A 4 1.812 -2.563 1.589 1.00 92.72 C +ATOM 23 O GLY A 4 1.351 -1.778 2.413 1.00 92.89 O +ATOM 24 N PRO A 5 2.565 -2.183 0.580 1.00 89.81 N +ATOM 25 CA PRO A 5 2.878 -0.775 0.402 1.00 89.67 C +ATOM 26 C PRO A 5 1.674 0.002 -0.099 1.00 89.80 C +ATOM 27 O PRO A 5 0.730 -0.564 -0.636 1.00 89.20 O +ATOM 28 CB PRO A 5 3.996 -0.794 -0.630 1.00 87.90 C +ATOM 29 CG PRO A 5 3.698 -2.007 -1.443 1.00 85.67 C +ATOM 30 CD PRO A 5 3.159 -3.012 -0.467 1.00 87.70 C +HETATM 31 N HYP A 6 1.735 1.336 0.110 1.00 89.57 N +HETATM 32 CA HYP A 6 0.723 2.162 -0.481 1.00 91.55 C +HETATM 33 C HYP A 6 0.674 2.036 -1.973 1.00 90.39 C +HETATM 34 O HYP A 6 1.725 1.768 -2.610 1.00 90.60 O +HETATM 35 CB HYP A 6 1.217 3.599 -0.080 1.00 86.80 C +HETATM 36 CG HYP A 6 2.010 3.386 1.196 1.00 86.03 C +HETATM 37 CD HYP A 6 2.705 2.060 0.927 1.00 89.12 C +HETATM 38 OD1 HYP A 6 1.106 3.237 2.274 1.00 87.97 O +ATOM 39 N GLY A 7 -0.487 2.125 -2.526 1.00 91.91 N +ATOM 40 CA GLY A 7 -0.634 2.073 -3.952 1.00 91.16 C +ATOM 41 C GLY A 7 0.055 3.251 -4.613 1.00 92.00 C +ATOM 42 O GLY A 7 0.424 4.226 -3.963 1.00 91.78 O +ATOM 43 N PRO A 8 0.226 3.149 -5.909 1.00 92.00 N +ATOM 44 CA PRO A 8 0.880 4.239 -6.621 1.00 91.96 C +ATOM 45 C PRO A 8 -0.011 5.462 -6.707 1.00 92.41 C +ATOM 46 O PRO A 8 -1.227 5.373 -6.610 1.00 91.45 O +ATOM 47 CB PRO A 8 1.149 3.643 -7.997 1.00 89.49 C +ATOM 48 CG PRO A 8 0.055 2.653 -8.172 1.00 87.80 C +ATOM 49 CD PRO A 8 -0.170 2.073 -6.803 1.00 89.68 C +HETATM 50 N HYP A 9 0.643 6.613 -6.904 1.00 87.58 N +HETATM 51 CA HYP A 9 -0.111 7.792 -7.105 1.00 90.59 C +HETATM 52 C HYP A 9 -0.915 7.716 -8.377 1.00 90.49 C +HETATM 53 O HYP A 9 -0.484 7.063 -9.349 1.00 89.20 O +HETATM 54 CB HYP A 9 0.998 8.891 -7.297 1.00 84.70 C +HETATM 55 CG HYP A 9 2.225 8.335 -6.680 1.00 83.24 C +HETATM 56 CD HYP A 9 2.118 6.864 -6.884 1.00 87.60 C +HETATM 57 OD1 HYP A 9 2.174 8.601 -5.277 1.00 86.26 O +ATOM 58 N GLY A 10 -2.072 8.262 -8.441 1.00 90.80 N +ATOM 59 CA GLY A 10 -2.778 8.443 -9.687 1.00 89.05 C +ATOM 60 C GLY A 10 -2.066 9.499 -10.500 1.00 89.34 C +ATOM 61 O GLY A 10 -1.002 9.990 -10.125 1.00 87.54 O +ATOM 62 N ILE A 11 -2.657 9.868 -11.614 1.00 91.36 N +ATOM 63 CA ILE A 11 -2.028 10.905 -12.430 1.00 92.48 C +ATOM 64 C ILE A 11 -1.763 12.137 -11.579 1.00 92.54 C +ATOM 65 O ILE A 11 -0.679 12.724 -11.640 1.00 90.60 O +ATOM 66 CB ILE A 11 -2.896 11.225 -13.650 1.00 92.45 C +ATOM 67 CG1 ILE A 11 -2.954 9.999 -14.566 1.00 89.42 C +ATOM 68 CG2 ILE A 11 -2.338 12.429 -14.400 1.00 86.44 C +ATOM 69 CD1 ILE A 11 -3.923 10.140 -15.713 1.00 82.50 C +ATOM 70 N THR A 12 -2.744 12.493 -10.772 1.00 92.57 N +ATOM 71 CA THR A 12 -2.581 13.551 -9.780 1.00 92.98 C +ATOM 72 C THR A 12 -3.090 13.106 -8.418 1.00 93.05 C +ATOM 73 O THR A 12 -3.027 13.871 -7.456 1.00 89.97 O +ATOM 74 CB THR A 12 -3.337 14.828 -10.195 1.00 90.76 C +ATOM 75 OG1 THR A 12 -4.718 14.530 -10.326 1.00 86.45 O +ATOM 76 CG2 THR A 12 -2.815 15.375 -11.508 1.00 83.68 C +ATOM 77 N GLY A 13 -3.587 11.895 -8.343 1.00 94.86 N +ATOM 78 CA GLY A 13 -4.210 11.410 -7.135 1.00 94.30 C +ATOM 79 C GLY A 13 -3.225 10.930 -6.092 1.00 94.71 C +ATOM 80 O GLY A 13 -2.031 10.766 -6.356 1.00 94.61 O +ATOM 81 N PRO A 14 -3.727 10.705 -4.898 1.00 93.93 N +ATOM 82 CA PRO A 14 -2.892 10.252 -3.795 1.00 93.87 C +ATOM 83 C PRO A 14 -2.551 8.778 -3.917 1.00 94.32 C +ATOM 84 O PRO A 14 -3.170 8.042 -4.675 1.00 93.01 O +ATOM 85 CB PRO A 14 -3.766 10.512 -2.574 1.00 92.53 C +ATOM 86 CG PRO A 14 -5.149 10.303 -3.087 1.00 91.01 C +ATOM 87 CD PRO A 14 -5.131 10.853 -4.491 1.00 92.03 C +HETATM 88 N HYP A 15 -1.588 8.402 -3.126 1.00 92.78 N +HETATM 89 CA HYP A 15 -1.271 6.997 -3.040 1.00 93.85 C +HETATM 90 C HYP A 15 -2.425 6.211 -2.485 1.00 95.05 C +HETATM 91 O HYP A 15 -3.236 6.740 -1.683 1.00 93.36 O +HETATM 92 CB HYP A 15 -0.113 7.009 -1.978 1.00 89.48 C +HETATM 93 CG HYP A 15 0.520 8.378 -2.117 1.00 87.94 C +HETATM 94 CD HYP A 15 -0.681 9.257 -2.357 1.00 91.69 C +HETATM 95 OD1 HYP A 15 1.369 8.394 -3.226 1.00 89.78 O +ATOM 96 N GLY A 16 -2.535 4.998 -2.932 1.00 95.04 N +ATOM 97 CA GLY A 16 -3.533 4.125 -2.383 1.00 94.69 C +ATOM 98 C GLY A 16 -3.194 3.740 -0.958 1.00 95.13 C +ATOM 99 O GLY A 16 -2.104 4.025 -0.461 1.00 95.00 O +ATOM 100 N PRO A 17 -4.142 3.090 -0.294 1.00 91.02 N +ATOM 101 CA PRO A 17 -3.901 2.675 1.077 1.00 90.86 C +ATOM 102 C PRO A 17 -2.930 1.510 1.141 1.00 91.32 C +ATOM 103 O PRO A 17 -2.696 0.820 0.157 1.00 89.69 O +ATOM 104 CB PRO A 17 -5.287 2.261 1.559 1.00 89.37 C +ATOM 105 CG PRO A 17 -5.972 1.817 0.318 1.00 88.22 C +ATOM 106 CD PRO A 17 -5.462 2.713 -0.776 1.00 89.17 C +HETATM 107 N HYP A 18 -2.347 1.315 2.347 1.00 88.55 N +HETATM 108 CA HYP A 18 -1.546 0.173 2.529 1.00 91.07 C +HETATM 109 C HYP A 18 -2.302 -1.103 2.300 1.00 90.65 C +HETATM 110 O HYP A 18 -3.524 -1.168 2.576 1.00 90.06 O +HETATM 111 CB HYP A 18 -1.148 0.252 4.055 1.00 88.15 C +HETATM 112 CG HYP A 18 -1.228 1.728 4.384 1.00 86.20 C +HETATM 113 CD HYP A 18 -2.412 2.164 3.533 1.00 89.33 C +HETATM 114 OD1 HYP A 18 -0.037 2.360 3.917 1.00 87.83 O +ATOM 115 N GLY A 19 -1.634 -2.061 1.735 1.00 91.82 N +ATOM 116 CA GLY A 19 -2.244 -3.340 1.519 1.00 91.76 C +ATOM 117 C GLY A 19 -2.542 -4.034 2.832 1.00 92.12 C +ATOM 118 O GLY A 19 -2.075 -3.628 3.893 1.00 92.39 O +ATOM 119 N PRO A 20 -3.325 -5.097 2.753 1.00 80.81 N +ATOM 120 CA PRO A 20 -3.653 -5.835 3.957 1.00 81.68 C +ATOM 121 C PRO A 20 -2.456 -6.617 4.466 1.00 81.81 C +ATOM 122 O PRO A 20 -1.479 -6.822 3.750 1.00 82.73 O +ATOM 123 CB PRO A 20 -4.763 -6.770 3.489 1.00 80.06 C +ATOM 124 CG PRO A 20 -4.466 -6.979 2.048 1.00 77.02 C +ATOM 125 CD PRO A 20 -3.921 -5.674 1.558 1.00 77.22 C +HETATM 126 N HYP A 21 -2.556 -6.991 5.729 1.00 86.66 N +HETATM 127 CA HYP A 21 -1.538 -7.881 6.252 1.00 86.59 C +HETATM 128 C HYP A 21 -1.350 -9.125 5.433 1.00 87.59 C +HETATM 129 O HYP A 21 -2.313 -9.585 4.831 1.00 89.47 O +HETATM 130 CB HYP A 21 -2.033 -8.171 7.679 1.00 85.53 C +HETATM 131 CG HYP A 21 -2.871 -6.953 8.061 1.00 80.80 C +HETATM 132 CD HYP A 21 -3.547 -6.599 6.747 1.00 85.87 C +HETATM 133 OD1 HYP A 21 -2.005 -5.873 8.422 1.00 83.58 O +ATOM 134 N GLY A 22 -0.140 -9.581 5.319 1.00 87.94 N +ATOM 135 CA GLY A 22 0.155 -10.759 4.556 1.00 86.08 C +ATOM 136 C GLY A 22 -0.511 -11.995 5.134 1.00 85.60 C +ATOM 137 O GLY A 22 -1.214 -11.929 6.140 1.00 85.54 O +ATOM 138 N PRO A 23 -0.288 -13.147 4.503 1.00 85.03 N +ATOM 139 CA PRO A 23 -0.929 -14.372 4.947 1.00 84.58 C +ATOM 140 C PRO A 23 -0.494 -14.775 6.339 1.00 83.44 C +ATOM 141 O PRO A 23 0.587 -14.429 6.804 1.00 79.91 O +ATOM 142 CB PRO A 23 -0.509 -15.399 3.898 1.00 80.55 C +ATOM 143 CG PRO A 23 0.718 -14.844 3.304 1.00 77.19 C +ATOM 144 CD PRO A 23 0.587 -13.357 3.364 1.00 78.52 C +HETATM 145 N HYP A 24 -1.225 -15.503 6.988 1.00 88.89 N +HETATM 146 CA HYP A 24 -0.969 -15.884 8.372 1.00 80.51 C +HETATM 147 C HYP A 24 0.375 -16.522 8.527 1.00 84.56 C +HETATM 148 O HYP A 24 1.074 -16.022 9.409 1.00 80.34 O +HETATM 149 CB HYP A 24 -2.084 -16.958 8.608 1.00 81.82 C +HETATM 150 CG HYP A 24 -3.076 -16.844 7.481 1.00 83.37 C +HETATM 151 CD HYP A 24 -2.284 -16.258 6.348 1.00 86.62 C +HETATM 152 OD1 HYP A 24 -4.094 -15.903 7.821 1.00 82.46 O +HETATM 153 OXT HYP A 24 0.702 -17.544 7.855 1.00 75.79 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_286.txt b/protein_pdb_286.txt new file mode 100644 index 0000000000000000000000000000000000000000..85f3f0d25b92da353c8009463f2466fdb57ea32e --- /dev/null +++ b/protein_pdb_286.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -19.333 16.084 -24.789 1.00 85.64 N +ATOM 2 CA GLY A 1 -18.705 14.842 -25.226 1.00 88.60 C +ATOM 3 C GLY A 1 -18.839 13.748 -24.192 1.00 89.30 C +ATOM 4 O GLY A 1 -19.296 14.005 -23.073 1.00 85.60 O +ATOM 5 N PRO A 2 -18.455 12.533 -24.512 1.00 90.91 N +ATOM 6 CA PRO A 2 -18.548 11.419 -23.561 1.00 92.67 C +ATOM 7 C PRO A 2 -17.533 11.569 -22.430 1.00 92.91 C +ATOM 8 O PRO A 2 -16.553 12.285 -22.552 1.00 91.02 O +ATOM 9 CB PRO A 2 -18.248 10.193 -24.422 1.00 90.33 C +ATOM 10 CG PRO A 2 -17.355 10.730 -25.489 1.00 87.35 C +ATOM 11 CD PRO A 2 -17.898 12.106 -25.786 1.00 89.01 C +HETATM 12 N HYP A 3 -17.790 10.932 -21.350 1.00 93.67 N +HETATM 13 CA HYP A 3 -16.875 10.891 -20.215 1.00 91.85 C +HETATM 14 C HYP A 3 -15.510 10.372 -20.609 1.00 93.67 C +HETATM 15 O HYP A 3 -15.397 9.491 -21.494 1.00 92.21 O +HETATM 16 CB HYP A 3 -17.553 9.977 -19.234 1.00 92.21 C +HETATM 17 CG HYP A 3 -19.007 10.001 -19.590 1.00 91.14 C +HETATM 18 CD HYP A 3 -18.968 10.154 -21.106 1.00 93.01 C +HETATM 19 OD1 HYP A 3 -19.659 11.087 -19.009 1.00 92.03 O +ATOM 20 N GLY A 4 -14.468 10.900 -19.997 1.00 94.84 N +ATOM 21 CA GLY A 4 -13.125 10.457 -20.284 1.00 94.25 C +ATOM 22 C GLY A 4 -12.891 9.042 -19.779 1.00 94.62 C +ATOM 23 O GLY A 4 -13.731 8.488 -19.050 1.00 93.90 O +ATOM 24 N PRO A 5 -11.761 8.449 -20.144 1.00 94.11 N +ATOM 25 CA PRO A 5 -11.461 7.089 -19.709 1.00 93.97 C +ATOM 26 C PRO A 5 -11.142 7.037 -18.216 1.00 94.10 C +ATOM 27 O PRO A 5 -10.772 8.041 -17.615 1.00 93.07 O +ATOM 28 CB PRO A 5 -10.255 6.702 -20.555 1.00 92.06 C +ATOM 29 CG PRO A 5 -9.575 8.001 -20.793 1.00 90.19 C +ATOM 30 CD PRO A 5 -10.702 8.994 -20.975 1.00 92.28 C +HETATM 31 N HYP A 6 -11.306 5.887 -17.621 1.00 91.97 N +HETATM 32 CA HYP A 6 -10.884 5.664 -16.234 1.00 91.75 C +HETATM 33 C HYP A 6 -9.440 5.936 -16.011 1.00 92.59 C +HETATM 34 O HYP A 6 -8.609 5.728 -16.918 1.00 90.58 O +HETATM 35 CB HYP A 6 -11.231 4.207 -15.972 1.00 88.59 C +HETATM 36 CG HYP A 6 -12.338 3.897 -16.952 1.00 86.43 C +HETATM 37 CD HYP A 6 -11.930 4.720 -18.141 1.00 89.94 C +HETATM 38 OD1 HYP A 6 -13.579 4.325 -16.447 1.00 88.65 O +ATOM 39 N GLY A 7 -9.089 6.435 -14.828 1.00 94.31 N +ATOM 40 CA GLY A 7 -7.719 6.719 -14.494 1.00 93.36 C +ATOM 41 C GLY A 7 -6.912 5.439 -14.353 1.00 93.80 C +ATOM 42 O GLY A 7 -7.467 4.336 -14.389 1.00 93.27 O +ATOM 43 N PRO A 8 -5.602 5.572 -14.178 1.00 95.20 N +ATOM 44 CA PRO A 8 -4.746 4.395 -14.023 1.00 95.16 C +ATOM 45 C PRO A 8 -4.990 3.703 -12.692 1.00 95.11 C +ATOM 46 O PRO A 8 -5.508 4.300 -11.754 1.00 94.09 O +ATOM 47 CB PRO A 8 -3.336 4.970 -14.113 1.00 93.64 C +ATOM 48 CG PRO A 8 -3.504 6.358 -13.586 1.00 92.77 C +ATOM 49 CD PRO A 8 -4.844 6.806 -14.106 1.00 94.12 C +HETATM 50 N HYP A 9 -4.628 2.457 -12.559 1.00 93.88 N +HETATM 51 CA HYP A 9 -4.700 1.705 -11.335 1.00 91.89 C +HETATM 52 C HYP A 9 -3.936 2.306 -10.245 1.00 92.79 C +HETATM 53 O HYP A 9 -2.909 2.955 -10.479 1.00 89.31 O +HETATM 54 CB HYP A 9 -4.126 0.310 -11.722 1.00 91.01 C +HETATM 55 CG HYP A 9 -4.441 0.215 -13.163 1.00 90.91 C +HETATM 56 CD HYP A 9 -4.264 1.604 -13.646 1.00 93.03 C +HETATM 57 OD1 HYP A 9 -5.779 -0.201 -13.379 1.00 88.13 O +ATOM 58 N GLY A 10 -4.365 2.151 -8.998 1.00 93.08 N +ATOM 59 CA GLY A 10 -3.664 2.667 -7.848 1.00 91.95 C +ATOM 60 C GLY A 10 -2.303 2.025 -7.702 1.00 92.24 C +ATOM 61 O GLY A 10 -2.003 0.989 -8.307 1.00 91.11 O +ATOM 62 N GLN A 11 -1.468 2.633 -6.880 1.00 89.24 N +ATOM 63 CA GLN A 11 -0.129 2.112 -6.633 1.00 89.03 C +ATOM 64 C GLN A 11 -0.173 0.849 -5.792 1.00 87.14 C +ATOM 65 O GLN A 11 -1.094 0.638 -5.006 1.00 83.56 O +ATOM 66 CB GLN A 11 0.715 3.160 -5.916 1.00 85.80 C +ATOM 67 CG GLN A 11 0.980 4.400 -6.736 1.00 82.18 C +ATOM 68 CD GLN A 11 1.751 5.417 -5.937 1.00 77.39 C +ATOM 69 OE1 GLN A 11 1.202 6.064 -5.053 1.00 72.94 O +ATOM 70 NE2 GLN A 11 3.043 5.544 -6.220 1.00 70.70 N +ATOM 71 N CYS A 12 0.846 0.017 -5.957 1.00 88.84 N +ATOM 72 CA CYS A 12 0.964 -1.187 -5.142 1.00 88.30 C +ATOM 73 C CYS A 12 1.159 -0.756 -3.697 1.00 88.15 C +ATOM 74 O CYS A 12 1.818 0.244 -3.426 1.00 84.59 O +ATOM 75 CB CYS A 12 2.165 -2.020 -5.612 1.00 84.70 C +ATOM 76 SG CYS A 12 2.340 -3.587 -4.769 1.00 77.63 S +ATOM 77 N GLY A 13 0.553 -1.497 -2.776 1.00 88.76 N +ATOM 78 CA GLY A 13 0.695 -1.179 -1.369 1.00 89.50 C +ATOM 79 C GLY A 13 2.128 -1.321 -0.887 1.00 91.31 C +ATOM 80 O GLY A 13 2.973 -1.890 -1.576 1.00 91.18 O +ATOM 81 N PRO A 14 2.426 -0.822 0.312 1.00 85.43 N +ATOM 82 CA PRO A 14 3.778 -0.902 0.843 1.00 88.37 C +ATOM 83 C PRO A 14 4.141 -2.333 1.224 1.00 88.82 C +ATOM 84 O PRO A 14 3.275 -3.162 1.451 1.00 89.01 O +ATOM 85 CB PRO A 14 3.734 0.009 2.073 1.00 86.50 C +ATOM 86 CG PRO A 14 2.316 -0.081 2.515 1.00 83.96 C +ATOM 87 CD PRO A 14 1.522 -0.131 1.226 1.00 84.26 C +HETATM 88 N HYP A 15 5.424 -2.618 1.309 1.00 88.08 N +HETATM 89 CA HYP A 15 5.913 -3.921 1.764 1.00 89.95 C +HETATM 90 C HYP A 15 5.442 -4.255 3.152 1.00 91.95 C +HETATM 91 O HYP A 15 5.213 -3.353 3.961 1.00 87.11 O +HETATM 92 CB HYP A 15 7.425 -3.731 1.718 1.00 89.47 C +HETATM 93 CG HYP A 15 7.644 -2.657 0.678 1.00 88.91 C +HETATM 94 CD HYP A 15 6.471 -1.765 0.876 1.00 89.30 C +HETATM 95 OD1 HYP A 15 7.636 -3.197 -0.628 1.00 90.15 O +ATOM 96 N GLY A 16 5.246 -5.503 3.443 1.00 93.24 N +ATOM 97 CA GLY A 16 4.858 -5.921 4.760 1.00 92.39 C +ATOM 98 C GLY A 16 5.981 -5.681 5.755 1.00 92.83 C +ATOM 99 O GLY A 16 7.110 -5.348 5.368 1.00 92.66 O +ATOM 100 N PRO A 17 5.694 -5.861 7.048 1.00 92.02 N +ATOM 101 CA PRO A 17 6.716 -5.643 8.064 1.00 91.66 C +ATOM 102 C PRO A 17 7.789 -6.723 8.010 1.00 91.52 C +ATOM 103 O PRO A 17 7.559 -7.819 7.511 1.00 90.10 O +ATOM 104 CB PRO A 17 5.929 -5.693 9.370 1.00 89.79 C +ATOM 105 CG PRO A 17 4.777 -6.583 9.050 1.00 88.95 C +ATOM 106 CD PRO A 17 4.408 -6.236 7.632 1.00 90.75 C +HETATM 107 N HYP A 18 8.963 -6.442 8.530 1.00 94.45 N +HETATM 108 CA HYP A 18 10.037 -7.410 8.638 1.00 93.27 C +HETATM 109 C HYP A 18 9.647 -8.626 9.450 1.00 95.05 C +HETATM 110 O HYP A 18 8.803 -8.529 10.354 1.00 92.72 O +HETATM 111 CB HYP A 18 11.146 -6.611 9.333 1.00 93.58 C +HETATM 112 CG HYP A 18 10.862 -5.175 8.996 1.00 92.63 C +HETATM 113 CD HYP A 18 9.375 -5.128 8.957 1.00 93.70 C +HETATM 114 OD1 HYP A 18 11.385 -4.846 7.729 1.00 90.35 O +ATOM 115 N GLY A 19 10.181 -9.756 9.118 1.00 91.12 N +ATOM 116 CA GLY A 19 9.911 -10.959 9.854 1.00 89.96 C +ATOM 117 C GLY A 19 10.499 -10.863 11.256 1.00 90.92 C +ATOM 118 O GLY A 19 11.247 -9.942 11.570 1.00 91.06 O +ATOM 119 N PRO A 20 10.173 -11.835 12.116 1.00 93.61 N +ATOM 120 CA PRO A 20 10.685 -11.813 13.479 1.00 93.18 C +ATOM 121 C PRO A 20 12.179 -12.109 13.519 1.00 92.81 C +ATOM 122 O PRO A 20 12.730 -12.697 12.599 1.00 91.34 O +ATOM 123 CB PRO A 20 9.868 -12.900 14.173 1.00 91.27 C +ATOM 124 CG PRO A 20 9.534 -13.838 13.061 1.00 89.52 C +ATOM 125 CD PRO A 20 9.287 -12.961 11.865 1.00 91.95 C +HETATM 126 N HYP A 21 12.854 -11.745 14.590 1.00 95.16 N +HETATM 127 CA HYP A 21 14.256 -12.020 14.791 1.00 93.89 C +HETATM 128 C HYP A 21 14.549 -13.511 14.818 1.00 95.89 C +HETATM 129 O HYP A 21 13.689 -14.299 15.230 1.00 93.86 O +HETATM 130 CB HYP A 21 14.547 -11.415 16.171 1.00 93.36 C +HETATM 131 CG HYP A 21 13.511 -10.330 16.348 1.00 92.77 C +HETATM 132 CD HYP A 21 12.302 -10.899 15.648 1.00 94.16 C +HETATM 133 OD1 HYP A 21 13.916 -9.138 15.709 1.00 90.69 O +ATOM 134 N GLY A 22 15.695 -13.924 14.355 1.00 91.14 N +ATOM 135 CA GLY A 22 16.077 -15.307 14.386 1.00 90.38 C +ATOM 136 C GLY A 22 16.263 -15.788 15.816 1.00 91.10 C +ATOM 137 O GLY A 22 16.303 -14.979 16.749 1.00 90.32 O +ATOM 138 N PRO A 23 16.414 -17.102 16.032 1.00 91.93 N +ATOM 139 CA PRO A 23 16.583 -17.634 17.377 1.00 91.98 C +ATOM 140 C PRO A 23 17.960 -17.284 17.932 1.00 91.54 C +ATOM 141 O PRO A 23 18.890 -16.994 17.185 1.00 88.09 O +ATOM 142 CB PRO A 23 16.408 -19.137 17.193 1.00 88.42 C +ATOM 143 CG PRO A 23 16.866 -19.365 15.796 1.00 84.89 C +ATOM 144 CD PRO A 23 16.388 -18.160 15.032 1.00 88.53 C +HETATM 145 N HYP A 24 18.133 -17.359 19.253 1.00 92.99 N +HETATM 146 CA HYP A 24 19.456 -17.067 19.780 1.00 90.21 C +HETATM 147 C HYP A 24 20.409 -18.177 19.371 1.00 92.36 C +HETATM 148 O HYP A 24 21.416 -17.804 18.839 1.00 89.08 O +HETATM 149 CB HYP A 24 19.266 -17.135 21.356 1.00 91.82 C +HETATM 150 CG HYP A 24 17.780 -16.991 21.597 1.00 91.14 C +HETATM 151 CD HYP A 24 17.125 -17.489 20.324 1.00 92.56 C +HETATM 152 OD1 HYP A 24 17.472 -15.609 21.744 1.00 86.88 O +HETATM 153 OXT HYP A 24 20.082 -19.376 19.598 1.00 84.57 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_287.txt b/protein_pdb_287.txt new file mode 100644 index 0000000000000000000000000000000000000000..7bb01923020ff181a239e0b1fa514b36ac96b161 --- /dev/null +++ b/protein_pdb_287.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 7.051 31.423 8.439 1.00 89.74 N +ATOM 2 CA GLY A 1 6.025 31.045 7.467 1.00 91.43 C +ATOM 3 C GLY A 1 5.329 29.765 7.869 1.00 91.43 C +ATOM 4 O GLY A 1 5.702 29.143 8.867 1.00 89.06 O +ATOM 5 N PRO A 2 4.329 29.337 7.117 1.00 92.84 N +ATOM 6 CA PRO A 2 3.608 28.110 7.435 1.00 93.78 C +ATOM 7 C PRO A 2 4.469 26.884 7.202 1.00 94.03 C +ATOM 8 O PRO A 2 5.457 26.929 6.485 1.00 93.05 O +ATOM 9 CB PRO A 2 2.413 28.150 6.485 1.00 92.04 C +ATOM 10 CG PRO A 2 2.945 28.892 5.305 1.00 88.71 C +ATOM 11 CD PRO A 2 3.807 29.976 5.916 1.00 90.25 C +HETATM 12 N HYP A 3 4.132 25.896 7.807 1.00 90.97 N +HETATM 13 CA HYP A 3 4.779 24.545 7.600 1.00 89.76 C +HETATM 14 C HYP A 3 4.719 24.134 6.139 1.00 88.58 C +HETATM 15 O HYP A 3 3.760 24.486 5.431 1.00 91.47 O +HETATM 16 CB HYP A 3 3.935 23.656 8.501 1.00 88.57 C +HETATM 17 CG HYP A 3 3.346 24.571 9.585 1.00 85.48 C +HETATM 18 CD HYP A 3 3.051 25.873 8.790 1.00 88.47 C +HETATM 19 OD1 HYP A 3 4.271 24.834 10.588 1.00 90.51 O +ATOM 20 N GLY A 4 5.745 23.416 5.702 1.00 92.10 N +ATOM 21 CA GLY A 4 5.776 22.945 4.343 1.00 90.65 C +ATOM 22 C GLY A 4 4.721 21.860 4.123 1.00 90.61 C +ATOM 23 O GLY A 4 4.109 21.379 5.077 1.00 90.40 O +ATOM 24 N PRO A 5 4.515 21.466 2.869 1.00 92.74 N +ATOM 25 CA PRO A 5 3.518 20.437 2.573 1.00 92.16 C +ATOM 26 C PRO A 5 3.976 19.068 3.056 1.00 92.24 C +ATOM 27 O PRO A 5 5.159 18.825 3.242 1.00 91.94 O +ATOM 28 CB PRO A 5 3.411 20.492 1.048 1.00 90.97 C +ATOM 29 CG PRO A 5 4.778 20.921 0.632 1.00 89.08 C +ATOM 30 CD PRO A 5 5.182 21.950 1.669 1.00 90.62 C +HETATM 31 N HYP A 6 3.037 18.237 3.277 1.00 89.48 N +HETATM 32 CA HYP A 6 3.361 16.806 3.611 1.00 92.88 C +HETATM 33 C HYP A 6 4.152 16.141 2.535 1.00 89.27 C +HETATM 34 O HYP A 6 4.057 16.529 1.359 1.00 88.71 O +HETATM 35 CB HYP A 6 1.943 16.198 3.745 1.00 83.11 C +HETATM 36 CG HYP A 6 0.997 17.343 4.077 1.00 83.52 C +HETATM 37 CD HYP A 6 1.611 18.485 3.285 1.00 85.11 C +HETATM 38 OD1 HYP A 6 0.990 17.641 5.450 1.00 86.33 O +ATOM 39 N GLY A 7 4.952 15.147 2.892 1.00 91.82 N +ATOM 40 CA GLY A 7 5.738 14.410 1.937 1.00 90.15 C +ATOM 41 C GLY A 7 4.839 13.579 1.031 1.00 90.00 C +ATOM 42 O GLY A 7 3.628 13.483 1.252 1.00 88.95 O +ATOM 43 N PRO A 8 5.424 12.960 0.015 1.00 91.54 N +ATOM 44 CA PRO A 8 4.639 12.142 -0.911 1.00 91.05 C +ATOM 45 C PRO A 8 4.125 10.874 -0.243 1.00 91.02 C +ATOM 46 O PRO A 8 4.668 10.415 0.752 1.00 89.90 O +ATOM 47 CB PRO A 8 5.625 11.833 -2.029 1.00 89.28 C +ATOM 48 CG PRO A 8 6.938 11.837 -1.327 1.00 88.49 C +ATOM 49 CD PRO A 8 6.829 12.978 -0.335 1.00 90.04 C +HETATM 50 N HYP A 9 3.091 10.316 -0.778 1.00 88.17 N +HETATM 51 CA HYP A 9 2.546 9.053 -0.311 1.00 88.77 C +HETATM 52 C HYP A 9 3.539 7.965 -0.440 1.00 86.88 C +HETATM 53 O HYP A 9 4.382 7.986 -1.351 1.00 85.08 O +HETATM 54 CB HYP A 9 1.335 8.848 -1.262 1.00 83.60 C +HETATM 55 CG HYP A 9 0.951 10.218 -1.727 1.00 82.42 C +HETATM 56 CD HYP A 9 2.268 10.923 -1.803 1.00 87.08 C +HETATM 57 OD1 HYP A 9 0.103 10.847 -0.791 1.00 82.28 O +ATOM 58 N GLY A 10 3.444 6.949 0.419 1.00 87.98 N +ATOM 59 CA GLY A 10 4.324 5.806 0.362 1.00 85.11 C +ATOM 60 C GLY A 10 4.096 5.010 -0.912 1.00 84.54 C +ATOM 61 O GLY A 10 3.062 5.147 -1.574 1.00 82.51 O +ATOM 62 N ALA A 11 5.068 4.162 -1.241 1.00 86.99 N +ATOM 63 CA ALA A 11 4.956 3.328 -2.428 1.00 87.11 C +ATOM 64 C ALA A 11 3.816 2.334 -2.284 1.00 86.87 C +ATOM 65 O ALA A 11 3.488 1.888 -1.182 1.00 84.27 O +ATOM 66 CB ALA A 11 6.270 2.584 -2.663 1.00 84.73 C +ATOM 67 N LYS A 12 3.207 1.985 -3.403 1.00 84.50 N +ATOM 68 CA LYS A 12 2.122 1.007 -3.388 1.00 84.62 C +ATOM 69 C LYS A 12 2.685 -0.329 -2.905 1.00 85.32 C +ATOM 70 O LYS A 12 3.815 -0.688 -3.225 1.00 81.93 O +ATOM 71 CB LYS A 12 1.524 0.868 -4.795 1.00 79.56 C +ATOM 72 CG LYS A 12 0.332 -0.086 -4.866 1.00 75.16 C +ATOM 73 CD LYS A 12 -0.258 -0.149 -6.250 1.00 71.90 C +ATOM 74 CE LYS A 12 -1.468 -1.087 -6.310 1.00 68.38 C +ATOM 75 NZ LYS A 12 -2.041 -1.154 -7.667 1.00 64.49 N +ATOM 76 N GLY A 13 1.872 -1.028 -2.123 1.00 84.67 N +ATOM 77 CA GLY A 13 2.296 -2.316 -1.605 1.00 83.04 C +ATOM 78 C GLY A 13 2.520 -3.338 -2.700 1.00 83.91 C +ATOM 79 O GLY A 13 2.109 -3.137 -3.846 1.00 83.40 O +ATOM 80 N PRO A 14 3.170 -4.464 -2.365 1.00 84.11 N +ATOM 81 CA PRO A 14 3.441 -5.500 -3.351 1.00 85.58 C +ATOM 82 C PRO A 14 2.170 -6.225 -3.758 1.00 85.91 C +ATOM 83 O PRO A 14 1.170 -6.206 -3.056 1.00 85.31 O +ATOM 84 CB PRO A 14 4.403 -6.433 -2.622 1.00 84.26 C +ATOM 85 CG PRO A 14 4.004 -6.292 -1.193 1.00 82.62 C +ATOM 86 CD PRO A 14 3.698 -4.819 -1.047 1.00 82.39 C +HETATM 87 N HYP A 15 2.201 -6.878 -4.902 1.00 81.16 N +HETATM 88 CA HYP A 15 1.121 -7.703 -5.370 1.00 72.88 C +HETATM 89 C HYP A 15 0.796 -8.842 -4.383 1.00 78.58 C +HETATM 90 O HYP A 15 1.700 -9.242 -3.620 1.00 76.38 O +HETATM 91 CB HYP A 15 1.720 -8.249 -6.683 1.00 77.53 C +HETATM 92 CG HYP A 15 2.702 -7.195 -7.128 1.00 76.15 C +HETATM 93 CD HYP A 15 3.260 -6.725 -5.842 1.00 79.70 C +HETATM 94 OD1 HYP A 15 2.054 -6.146 -7.804 1.00 79.08 O +ATOM 95 N GLY A 16 -0.393 -9.289 -4.379 1.00 86.71 N +ATOM 96 CA GLY A 16 -0.751 -10.388 -3.527 1.00 84.95 C +ATOM 97 C GLY A 16 -0.098 -11.673 -4.008 1.00 85.03 C +ATOM 98 O GLY A 16 0.490 -11.716 -5.095 1.00 86.11 O +ATOM 99 N PRO A 17 -0.197 -12.749 -3.212 1.00 82.00 N +ATOM 100 CA PRO A 17 0.406 -14.021 -3.594 1.00 83.38 C +ATOM 101 C PRO A 17 -0.334 -14.652 -4.762 1.00 84.02 C +ATOM 102 O PRO A 17 -1.503 -14.367 -5.003 1.00 85.27 O +ATOM 103 CB PRO A 17 0.289 -14.860 -2.326 1.00 82.31 C +ATOM 104 CG PRO A 17 -0.931 -14.311 -1.667 1.00 79.77 C +ATOM 105 CD PRO A 17 -0.850 -12.820 -1.911 1.00 78.55 C +HETATM 106 N HYP A 18 0.306 -15.519 -5.468 1.00 82.89 N +HETATM 107 CA HYP A 18 -0.290 -16.276 -6.538 1.00 84.48 C +HETATM 108 C HYP A 18 -1.465 -17.149 -6.069 1.00 77.55 C +HETATM 109 O HYP A 18 -1.500 -17.533 -4.892 1.00 83.75 O +HETATM 110 CB HYP A 18 0.865 -17.149 -7.018 1.00 81.71 C +HETATM 111 CG HYP A 18 2.109 -16.390 -6.666 1.00 79.37 C +HETATM 112 CD HYP A 18 1.718 -15.740 -5.367 1.00 82.93 C +HETATM 113 OD1 HYP A 18 2.408 -15.410 -7.626 1.00 85.46 O +ATOM 114 N GLY A 19 -2.408 -17.392 -6.925 1.00 86.60 N +ATOM 115 CA GLY A 19 -3.524 -18.224 -6.590 1.00 84.49 C +ATOM 116 C GLY A 19 -3.076 -19.667 -6.399 1.00 84.21 C +ATOM 117 O GLY A 19 -1.920 -20.007 -6.654 1.00 83.49 O +ATOM 118 N PRO A 20 -3.993 -20.535 -5.971 1.00 85.61 N +ATOM 119 CA PRO A 20 -3.647 -21.935 -5.750 1.00 84.95 C +ATOM 120 C PRO A 20 -3.391 -22.661 -7.059 1.00 85.41 C +ATOM 121 O PRO A 20 -3.805 -22.205 -8.120 1.00 84.63 O +ATOM 122 CB PRO A 20 -4.876 -22.477 -5.022 1.00 82.18 C +ATOM 123 CG PRO A 20 -5.985 -21.630 -5.556 1.00 79.17 C +ATOM 124 CD PRO A 20 -5.381 -20.250 -5.648 1.00 79.16 C +HETATM 125 N HYP A 21 -2.728 -23.784 -7.009 1.00 88.06 N +HETATM 126 CA HYP A 21 -2.498 -24.619 -8.162 1.00 87.08 C +HETATM 127 C HYP A 21 -3.792 -25.120 -8.821 1.00 83.86 C +HETATM 128 O HYP A 21 -4.798 -25.239 -8.120 1.00 89.12 O +HETATM 129 CB HYP A 21 -1.719 -25.816 -7.558 1.00 85.67 C +HETATM 130 CG HYP A 21 -1.034 -25.256 -6.325 1.00 80.27 C +HETATM 131 CD HYP A 21 -2.043 -24.254 -5.814 1.00 85.65 C +HETATM 132 OD1 HYP A 21 0.159 -24.566 -6.663 1.00 87.31 O +ATOM 133 N GLY A 22 -3.799 -25.271 -10.126 1.00 87.61 N +ATOM 134 CA GLY A 22 -4.959 -25.709 -10.848 1.00 86.66 C +ATOM 135 C GLY A 22 -5.343 -27.129 -10.468 1.00 86.94 C +ATOM 136 O GLY A 22 -4.606 -27.806 -9.747 1.00 85.39 O +ATOM 137 N PRO A 23 -6.482 -27.630 -10.971 1.00 88.81 N +ATOM 138 CA PRO A 23 -6.922 -28.981 -10.663 1.00 89.26 C +ATOM 139 C PRO A 23 -5.919 -30.011 -11.141 1.00 88.63 C +ATOM 140 O PRO A 23 -5.214 -29.783 -12.126 1.00 84.95 O +ATOM 141 CB PRO A 23 -8.243 -29.106 -11.414 1.00 85.84 C +ATOM 142 CG PRO A 23 -8.714 -27.697 -11.511 1.00 83.21 C +ATOM 143 CD PRO A 23 -7.458 -26.909 -11.760 1.00 85.56 C +HETATM 144 N HYP A 24 -5.853 -31.183 -10.540 1.00 88.47 N +HETATM 145 CA HYP A 24 -4.911 -32.174 -11.065 1.00 87.02 C +HETATM 146 C HYP A 24 -5.348 -32.544 -12.460 1.00 87.69 C +HETATM 147 O HYP A 24 -4.655 -32.053 -13.319 1.00 86.85 O +HETATM 148 CB HYP A 24 -5.134 -33.412 -10.121 1.00 87.66 C +HETATM 149 CG HYP A 24 -5.750 -32.874 -8.866 1.00 84.74 C +HETATM 150 CD HYP A 24 -6.518 -31.623 -9.320 1.00 87.09 C +HETATM 151 OD1 HYP A 24 -4.738 -32.480 -7.963 1.00 82.05 O +HETATM 152 OXT HYP A 24 -6.391 -33.223 -12.659 1.00 82.25 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_288.txt b/protein_pdb_288.txt new file mode 100644 index 0000000000000000000000000000000000000000..e79133e9f1bc51b7b3f84885631858502bb58e04 --- /dev/null +++ b/protein_pdb_288.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -22.990 24.403 8.394 1.00 91.54 N +ATOM 2 CA GLY A 1 -21.652 24.899 8.093 1.00 92.84 C +ATOM 3 C GLY A 1 -21.170 24.430 6.740 1.00 93.62 C +ATOM 4 O GLY A 1 -21.796 23.572 6.122 1.00 91.75 O +ATOM 5 N PRO A 2 -20.059 24.953 6.258 1.00 93.43 N +ATOM 6 CA PRO A 2 -19.525 24.550 4.963 1.00 94.49 C +ATOM 7 C PRO A 2 -18.960 23.130 5.014 1.00 94.71 C +ATOM 8 O PRO A 2 -18.658 22.604 6.079 1.00 93.26 O +ATOM 9 CB PRO A 2 -18.434 25.574 4.681 1.00 92.31 C +ATOM 10 CG PRO A 2 -17.976 25.970 6.042 1.00 88.95 C +ATOM 11 CD PRO A 2 -19.220 25.966 6.887 1.00 91.38 C +HETATM 12 N HYP A 3 -18.840 22.528 3.882 1.00 96.45 N +HETATM 13 CA HYP A 3 -18.205 21.200 3.745 1.00 95.75 C +HETATM 14 C HYP A 3 -16.781 21.182 4.277 1.00 96.79 C +HETATM 15 O HYP A 3 -16.062 22.188 4.181 1.00 94.10 O +HETATM 16 CB HYP A 3 -18.244 20.930 2.264 1.00 94.51 C +HETATM 17 CG HYP A 3 -19.364 21.805 1.712 1.00 93.42 C +HETATM 18 CD HYP A 3 -19.269 23.035 2.594 1.00 95.33 C +HETATM 19 OD1 HYP A 3 -20.611 21.202 1.849 1.00 93.36 O +ATOM 20 N GLY A 4 -16.359 20.065 4.864 1.00 95.90 N +ATOM 21 CA GLY A 4 -15.016 19.947 5.382 1.00 95.38 C +ATOM 22 C GLY A 4 -13.991 19.863 4.262 1.00 95.51 C +ATOM 23 O GLY A 4 -14.347 19.732 3.088 1.00 95.16 O +ATOM 24 N PRO A 5 -12.708 19.921 4.618 1.00 96.20 N +ATOM 25 CA PRO A 5 -11.651 19.838 3.613 1.00 95.96 C +ATOM 26 C PRO A 5 -11.541 18.427 3.044 1.00 96.24 C +ATOM 27 O PRO A 5 -12.005 17.467 3.646 1.00 95.60 O +ATOM 28 CB PRO A 5 -10.394 20.242 4.383 1.00 94.32 C +ATOM 29 CG PRO A 5 -10.689 19.796 5.767 1.00 92.30 C +ATOM 30 CD PRO A 5 -12.161 20.057 5.961 1.00 94.25 C +HETATM 31 N HYP A 6 -10.944 18.324 1.879 1.00 95.76 N +HETATM 32 CA HYP A 6 -10.615 16.992 1.320 1.00 96.36 C +HETATM 33 C HYP A 6 -9.807 16.136 2.217 1.00 96.09 C +HETATM 34 O HYP A 6 -8.974 16.657 2.991 1.00 94.12 O +HETATM 35 CB HYP A 6 -9.879 17.367 0.024 1.00 94.06 C +HETATM 36 CG HYP A 6 -10.454 18.730 -0.347 1.00 92.56 C +HETATM 37 CD HYP A 6 -10.615 19.377 1.013 1.00 94.30 C +HETATM 38 OD1 HYP A 6 -11.696 18.601 -0.979 1.00 90.63 O +ATOM 39 N GLY A 7 -10.034 14.808 2.225 1.00 96.70 N +ATOM 40 CA GLY A 7 -9.320 13.892 3.079 1.00 96.66 C +ATOM 41 C GLY A 7 -7.859 13.780 2.707 1.00 96.92 C +ATOM 42 O GLY A 7 -7.421 14.290 1.675 1.00 96.78 O +ATOM 43 N PRO A 8 -7.075 13.110 3.561 1.00 95.70 N +ATOM 44 CA PRO A 8 -5.653 12.938 3.295 1.00 95.96 C +ATOM 45 C PRO A 8 -5.415 11.948 2.167 1.00 95.93 C +ATOM 46 O PRO A 8 -6.289 11.155 1.826 1.00 95.24 O +ATOM 47 CB PRO A 8 -5.108 12.423 4.622 1.00 94.92 C +ATOM 48 CG PRO A 8 -6.261 11.674 5.194 1.00 94.08 C +ATOM 49 CD PRO A 8 -7.476 12.480 4.809 1.00 95.40 C +HETATM 50 N HYP A 9 -4.253 11.953 1.598 1.00 96.05 N +HETATM 51 CA HYP A 9 -3.842 10.990 0.592 1.00 96.09 C +HETATM 52 C HYP A 9 -3.869 9.593 1.085 1.00 96.75 C +HETATM 53 O HYP A 9 -3.645 9.348 2.287 1.00 93.47 O +HETATM 54 CB HYP A 9 -2.368 11.407 0.280 1.00 92.70 C +HETATM 55 CG HYP A 9 -2.316 12.847 0.652 1.00 90.34 C +HETATM 56 CD HYP A 9 -3.259 12.932 1.828 1.00 93.34 C +HETATM 57 OD1 HYP A 9 -2.820 13.651 -0.401 1.00 89.73 O +ATOM 58 N GLY A 10 -4.148 8.622 0.216 1.00 96.40 N +ATOM 59 CA GLY A 10 -4.163 7.228 0.581 1.00 95.79 C +ATOM 60 C GLY A 10 -2.766 6.718 0.902 1.00 96.15 C +ATOM 61 O GLY A 10 -1.760 7.397 0.675 1.00 95.94 O +ATOM 62 N HIS A 11 -2.703 5.498 1.436 1.00 95.91 N +ATOM 63 CA HIS A 11 -1.432 4.864 1.777 1.00 95.98 C +ATOM 64 C HIS A 11 -0.729 4.342 0.529 1.00 96.11 C +ATOM 65 O HIS A 11 -1.364 3.978 -0.456 1.00 94.99 O +ATOM 66 CB HIS A 11 -1.655 3.702 2.732 1.00 94.05 C +ATOM 67 CG HIS A 11 -2.186 4.105 4.071 1.00 90.89 C +ATOM 68 ND1 HIS A 11 -3.517 3.993 4.401 1.00 84.56 N +ATOM 69 CD2 HIS A 11 -1.559 4.603 5.150 1.00 82.18 C +ATOM 70 CE1 HIS A 11 -3.683 4.414 5.643 1.00 82.31 C +ATOM 71 NE2 HIS A 11 -2.509 4.791 6.126 1.00 83.64 N +ATOM 72 N ILE A 12 0.606 4.264 0.605 1.00 94.59 N +ATOM 73 CA ILE A 12 1.377 3.619 -0.450 1.00 93.91 C +ATOM 74 C ILE A 12 0.989 2.137 -0.431 1.00 93.97 C +ATOM 75 O ILE A 12 0.717 1.571 0.634 1.00 91.82 O +ATOM 76 CB ILE A 12 2.889 3.806 -0.210 1.00 92.07 C +ATOM 77 CG1 ILE A 12 3.266 5.284 -0.393 1.00 88.08 C +ATOM 78 CG2 ILE A 12 3.713 2.929 -1.141 1.00 85.56 C +ATOM 79 CD1 ILE A 12 4.661 5.623 0.064 1.00 79.66 C +ATOM 80 N GLY A 13 0.942 1.533 -1.617 1.00 96.50 N +ATOM 81 CA GLY A 13 0.562 0.136 -1.711 1.00 96.06 C +ATOM 82 C GLY A 13 1.511 -0.799 -0.989 1.00 96.34 C +ATOM 83 O GLY A 13 2.623 -0.413 -0.618 1.00 96.23 O +ATOM 84 N PRO A 14 1.095 -2.054 -0.773 1.00 95.42 N +ATOM 85 CA PRO A 14 1.934 -3.017 -0.067 1.00 95.45 C +ATOM 86 C PRO A 14 3.153 -3.413 -0.889 1.00 95.52 C +ATOM 87 O PRO A 14 3.157 -3.273 -2.109 1.00 94.75 O +ATOM 88 CB PRO A 14 0.997 -4.210 0.159 1.00 94.15 C +ATOM 89 CG PRO A 14 0.051 -4.123 -0.983 1.00 93.15 C +ATOM 90 CD PRO A 14 -0.171 -2.644 -1.188 1.00 94.39 C +HETATM 91 N HYP A 15 4.163 -3.941 -0.229 1.00 93.95 N +HETATM 92 CA HYP A 15 5.358 -4.452 -0.916 1.00 94.25 C +HETATM 93 C HYP A 15 5.022 -5.569 -1.884 1.00 96.07 C +HETATM 94 O HYP A 15 4.028 -6.286 -1.679 1.00 86.87 O +HETATM 95 CB HYP A 15 6.180 -4.988 0.268 1.00 92.26 C +HETATM 96 CG HYP A 15 5.703 -4.181 1.463 1.00 88.23 C +HETATM 97 CD HYP A 15 4.246 -4.020 1.193 1.00 92.41 C +HETATM 98 OD1 HYP A 15 6.305 -2.897 1.515 1.00 92.00 O +ATOM 99 N GLY A 16 5.778 -5.723 -2.912 1.00 95.72 N +ATOM 100 CA GLY A 16 5.583 -6.819 -3.821 1.00 94.85 C +ATOM 101 C GLY A 16 5.923 -8.145 -3.161 1.00 95.24 C +ATOM 102 O GLY A 16 6.463 -8.179 -2.052 1.00 95.36 O +ATOM 103 N PRO A 17 5.607 -9.254 -3.834 1.00 93.23 N +ATOM 104 CA PRO A 17 5.886 -10.565 -3.262 1.00 93.58 C +ATOM 105 C PRO A 17 7.386 -10.838 -3.221 1.00 93.63 C +ATOM 106 O PRO A 17 8.157 -10.247 -3.962 1.00 92.87 O +ATOM 107 CB PRO A 17 5.157 -11.530 -4.202 1.00 91.64 C +ATOM 108 CG PRO A 17 5.148 -10.806 -5.499 1.00 89.70 C +ATOM 109 CD PRO A 17 4.966 -9.354 -5.145 1.00 90.91 C +HETATM 110 N HYP A 18 7.806 -11.763 -2.370 1.00 93.98 N +HETATM 111 CA HYP A 18 9.186 -12.175 -2.314 1.00 93.79 C +HETATM 112 C HYP A 18 9.689 -12.739 -3.620 1.00 94.19 C +HETATM 113 O HYP A 18 8.922 -13.380 -4.367 1.00 91.57 O +HETATM 114 CB HYP A 18 9.185 -13.241 -1.222 1.00 92.48 C +HETATM 115 CG HYP A 18 7.993 -12.921 -0.345 1.00 90.74 C +HETATM 116 CD HYP A 18 6.999 -12.383 -1.343 1.00 92.71 C +HETATM 117 OD1 HYP A 18 8.289 -11.901 0.599 1.00 91.07 O +ATOM 118 N GLY A 19 10.924 -12.439 -3.981 1.00 94.03 N +ATOM 119 CA GLY A 19 11.510 -12.959 -5.191 1.00 93.69 C +ATOM 120 C GLY A 19 11.685 -14.459 -5.108 1.00 93.90 C +ATOM 121 O GLY A 19 11.546 -15.058 -4.034 1.00 93.73 O +ATOM 122 N PRO A 20 11.997 -15.096 -6.235 1.00 92.62 N +ATOM 123 CA PRO A 20 12.176 -16.547 -6.237 1.00 92.19 C +ATOM 124 C PRO A 20 13.476 -16.933 -5.548 1.00 91.90 C +ATOM 125 O PRO A 20 14.405 -16.139 -5.450 1.00 90.61 O +ATOM 126 CB PRO A 20 12.192 -16.890 -7.726 1.00 89.83 C +ATOM 127 CG PRO A 20 12.739 -15.658 -8.356 1.00 87.45 C +ATOM 128 CD PRO A 20 12.164 -14.514 -7.555 1.00 90.26 C +HETATM 129 N HYP A 21 13.574 -18.160 -5.068 1.00 94.95 N +HETATM 130 CA HYP A 21 14.798 -18.674 -4.497 1.00 93.79 C +HETATM 131 C HYP A 21 15.970 -18.673 -5.473 1.00 95.68 C +HETATM 132 O HYP A 21 15.751 -18.817 -6.680 1.00 93.75 O +HETATM 133 CB HYP A 21 14.420 -20.160 -4.146 1.00 93.06 C +HETATM 134 CG HYP A 21 12.908 -20.157 -3.966 1.00 91.46 C +HETATM 135 CD HYP A 21 12.470 -19.110 -4.978 1.00 93.65 C +HETATM 136 OD1 HYP A 21 12.544 -19.718 -2.660 1.00 91.29 O +ATOM 137 N GLY A 22 17.173 -18.430 -5.030 1.00 91.14 N +ATOM 138 CA GLY A 22 18.335 -18.455 -5.875 1.00 90.66 C +ATOM 139 C GLY A 22 18.568 -19.847 -6.443 1.00 91.20 C +ATOM 140 O GLY A 22 17.941 -20.816 -6.008 1.00 90.21 O +ATOM 141 N PRO A 23 19.497 -19.993 -7.397 1.00 92.44 N +ATOM 142 CA PRO A 23 19.764 -21.297 -7.986 1.00 92.47 C +ATOM 143 C PRO A 23 20.435 -22.223 -6.987 1.00 92.00 C +ATOM 144 O PRO A 23 21.121 -21.766 -6.072 1.00 88.44 O +ATOM 145 CB PRO A 23 20.668 -20.980 -9.174 1.00 88.93 C +ATOM 146 CG PRO A 23 21.347 -19.718 -8.769 1.00 85.82 C +ATOM 147 CD PRO A 23 20.310 -18.948 -7.989 1.00 89.39 C +HETATM 148 N HYP A 24 20.338 -23.519 -7.129 1.00 92.55 N +HETATM 149 CA HYP A 24 20.964 -24.439 -6.151 1.00 88.14 C +HETATM 150 C HYP A 24 22.467 -24.250 -6.224 1.00 92.17 C +HETATM 151 O HYP A 24 23.012 -23.915 -5.224 1.00 88.37 O +HETATM 152 CB HYP A 24 20.624 -25.859 -6.752 1.00 90.71 C +HETATM 153 CG HYP A 24 19.456 -25.669 -7.667 1.00 89.79 C +HETATM 154 CD HYP A 24 19.608 -24.227 -8.185 1.00 91.49 C +HETATM 155 OD1 HYP A 24 18.255 -25.748 -6.916 1.00 85.52 O +HETATM 156 OXT HYP A 24 23.066 -24.451 -7.322 1.00 81.35 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_289.txt b/protein_pdb_289.txt new file mode 100644 index 0000000000000000000000000000000000000000..666d70b5ac87ed468951af893ba1dc973a8c7c36 --- /dev/null +++ b/protein_pdb_289.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 14.152 -1.874 2.045 1.00 89.40 N +ATOM 2 CA GLY A 1 13.530 -1.296 0.883 1.00 90.62 C +ATOM 3 C GLY A 1 12.462 -0.290 1.247 1.00 91.64 C +ATOM 4 O GLY A 1 12.114 -0.140 2.412 1.00 90.14 O +ATOM 5 N PRO A 2 11.889 0.377 0.264 1.00 87.22 N +ATOM 6 CA PRO A 2 10.869 1.380 0.512 1.00 88.08 C +ATOM 7 C PRO A 2 9.528 0.749 0.851 1.00 87.60 C +ATOM 8 O PRO A 2 9.300 -0.428 0.609 1.00 85.05 O +ATOM 9 CB PRO A 2 10.805 2.136 -0.808 1.00 85.11 C +ATOM 10 CG PRO A 2 11.182 1.116 -1.819 1.00 82.08 C +ATOM 11 CD PRO A 2 12.222 0.256 -1.157 1.00 83.49 C +HETATM 12 N HYP A 3 8.652 1.595 1.422 1.00 87.27 N +HETATM 13 CA HYP A 3 7.305 1.113 1.688 1.00 85.36 C +HETATM 14 C HYP A 3 6.592 0.724 0.415 1.00 89.48 C +HETATM 15 O HYP A 3 6.846 1.328 -0.663 1.00 90.55 O +HETATM 16 CB HYP A 3 6.582 2.409 2.265 1.00 86.79 C +HETATM 17 CG HYP A 3 7.708 3.222 2.858 1.00 81.65 C +HETATM 18 CD HYP A 3 8.876 2.965 1.848 1.00 86.78 C +HETATM 19 OD1 HYP A 3 8.049 2.663 4.090 1.00 82.93 O +ATOM 20 N GLY A 4 5.826 -0.333 0.517 1.00 91.42 N +ATOM 21 CA GLY A 4 5.043 -0.752 -0.620 1.00 90.87 C +ATOM 22 C GLY A 4 3.969 0.262 -0.961 1.00 91.54 C +ATOM 23 O GLY A 4 3.660 1.158 -0.176 1.00 91.27 O +ATOM 24 N PRO A 5 3.398 0.131 -2.149 1.00 90.04 N +ATOM 25 CA PRO A 5 2.352 1.050 -2.570 1.00 89.59 C +ATOM 26 C PRO A 5 1.062 0.802 -1.814 1.00 88.90 C +ATOM 27 O PRO A 5 0.871 -0.247 -1.209 1.00 87.31 O +ATOM 28 CB PRO A 5 2.190 0.734 -4.056 1.00 88.01 C +ATOM 29 CG PRO A 5 2.557 -0.707 -4.145 1.00 86.60 C +ATOM 30 CD PRO A 5 3.659 -0.898 -3.148 1.00 88.19 C +HETATM 31 N HYP A 6 0.190 1.830 -1.864 1.00 88.38 N +HETATM 32 CA HYP A 6 -1.121 1.616 -1.292 1.00 90.76 C +HETATM 33 C HYP A 6 -1.824 0.474 -1.940 1.00 88.95 C +HETATM 34 O HYP A 6 -1.615 0.204 -3.154 1.00 88.70 O +HETATM 35 CB HYP A 6 -1.840 2.968 -1.652 1.00 83.44 C +HETATM 36 CG HYP A 6 -0.733 3.971 -1.778 1.00 82.60 C +HETATM 37 CD HYP A 6 0.381 3.158 -2.434 1.00 87.24 C +HETATM 38 OD1 HYP A 6 -0.311 4.372 -0.498 1.00 84.46 O +ATOM 39 N GLY A 7 -2.556 -0.274 -1.166 1.00 89.82 N +ATOM 40 CA GLY A 7 -3.322 -1.373 -1.695 1.00 88.56 C +ATOM 41 C GLY A 7 -4.355 -0.901 -2.693 1.00 89.13 C +ATOM 42 O GLY A 7 -4.681 0.286 -2.770 1.00 88.53 O +ATOM 43 N PRO A 8 -4.869 -1.833 -3.469 1.00 87.74 N +ATOM 44 CA PRO A 8 -5.867 -1.470 -4.464 1.00 87.47 C +ATOM 45 C PRO A 8 -7.191 -1.119 -3.811 1.00 87.43 C +ATOM 46 O PRO A 8 -7.471 -1.504 -2.680 1.00 85.52 O +ATOM 47 CB PRO A 8 -5.991 -2.727 -5.313 1.00 85.31 C +ATOM 48 CG PRO A 8 -5.651 -3.820 -4.369 1.00 84.70 C +ATOM 49 CD PRO A 8 -4.589 -3.260 -3.464 1.00 85.69 C +HETATM 50 N HYP A 9 -8.007 -0.372 -4.566 1.00 82.47 N +HETATM 51 CA HYP A 9 -9.308 -0.074 -4.102 1.00 83.39 C +HETATM 52 C HYP A 9 -10.137 -1.312 -3.955 1.00 85.25 C +HETATM 53 O HYP A 9 -10.062 -2.223 -4.803 1.00 85.99 O +HETATM 54 CB HYP A 9 -9.896 0.795 -5.268 1.00 77.48 C +HETATM 55 CG HYP A 9 -8.711 1.353 -5.992 1.00 74.62 C +HETATM 56 CD HYP A 9 -7.681 0.288 -5.870 1.00 83.64 C +HETATM 57 OD1 HYP A 9 -8.258 2.497 -5.295 1.00 75.94 O +ATOM 58 N GLY A 10 -10.863 -1.481 -2.905 1.00 88.44 N +ATOM 59 CA GLY A 10 -11.832 -2.545 -2.811 1.00 84.88 C +ATOM 60 C GLY A 10 -13.019 -2.243 -3.698 1.00 84.10 C +ATOM 61 O GLY A 10 -13.083 -1.203 -4.357 1.00 81.82 O +ATOM 62 N SER A 11 -13.961 -3.154 -3.701 1.00 87.72 N +ATOM 63 CA SER A 11 -15.168 -2.903 -4.473 1.00 88.57 C +ATOM 64 C SER A 11 -15.939 -1.715 -3.920 1.00 88.62 C +ATOM 65 O SER A 11 -16.708 -1.081 -4.646 1.00 86.29 O +ATOM 66 CB SER A 11 -16.053 -4.146 -4.491 1.00 84.94 C +ATOM 67 OG SER A 11 -16.405 -4.530 -3.186 1.00 77.19 O +ATOM 68 N VAL A 12 -15.719 -1.416 -2.648 1.00 86.64 N +ATOM 69 CA VAL A 12 -16.328 -0.273 -1.984 1.00 88.65 C +ATOM 70 C VAL A 12 -15.281 0.527 -1.229 1.00 87.75 C +ATOM 71 O VAL A 12 -15.203 1.752 -1.352 1.00 83.78 O +ATOM 72 CB VAL A 12 -17.452 -0.725 -1.028 1.00 85.69 C +ATOM 73 CG1 VAL A 12 -18.030 0.462 -0.281 1.00 78.81 C +ATOM 74 CG2 VAL A 12 -18.553 -1.447 -1.791 1.00 78.86 C +ATOM 75 N GLY A 13 -14.496 -0.166 -0.424 1.00 90.39 N +ATOM 76 CA GLY A 13 -13.589 0.481 0.498 1.00 89.31 C +ATOM 77 C GLY A 13 -12.442 1.230 -0.141 1.00 90.53 C +ATOM 78 O GLY A 13 -12.178 1.109 -1.337 1.00 90.84 O +ATOM 79 N PRO A 14 -11.757 2.023 0.669 1.00 90.72 N +ATOM 80 CA PRO A 14 -10.633 2.820 0.207 1.00 90.65 C +ATOM 81 C PRO A 14 -9.405 1.964 -0.057 1.00 91.04 C +ATOM 82 O PRO A 14 -9.360 0.793 0.304 1.00 89.71 O +ATOM 83 CB PRO A 14 -10.388 3.783 1.362 1.00 89.23 C +ATOM 84 CG PRO A 14 -10.791 2.998 2.562 1.00 88.45 C +ATOM 85 CD PRO A 14 -11.974 2.177 2.112 1.00 88.40 C +HETATM 86 N HYP A 15 -8.402 2.643 -0.630 1.00 89.47 N +HETATM 87 CA HYP A 15 -7.152 1.948 -0.857 1.00 90.78 C +HETATM 88 C HYP A 15 -6.568 1.469 0.445 1.00 91.97 C +HETATM 89 O HYP A 15 -6.768 2.099 1.494 1.00 90.23 O +HETATM 90 CB HYP A 15 -6.275 3.104 -1.419 1.00 87.92 C +HETATM 91 CG HYP A 15 -7.258 4.088 -2.032 1.00 84.15 C +HETATM 92 CD HYP A 15 -8.416 4.044 -1.069 1.00 88.83 C +HETATM 93 OD1 HYP A 15 -7.675 3.635 -3.281 1.00 86.71 O +ATOM 94 N GLY A 16 -5.908 0.338 0.373 1.00 92.91 N +ATOM 95 CA GLY A 16 -5.230 -0.166 1.532 1.00 92.26 C +ATOM 96 C GLY A 16 -4.047 0.706 1.909 1.00 92.82 C +ATOM 97 O GLY A 16 -3.628 1.575 1.145 1.00 92.66 O +ATOM 98 N PRO A 17 -3.512 0.473 3.098 1.00 90.70 N +ATOM 99 CA PRO A 17 -2.358 1.240 3.549 1.00 90.08 C +ATOM 100 C PRO A 17 -1.108 0.858 2.773 1.00 90.93 C +ATOM 101 O PRO A 17 -1.054 -0.184 2.134 1.00 89.50 O +ATOM 102 CB PRO A 17 -2.241 0.861 5.013 1.00 88.96 C +ATOM 103 CG PRO A 17 -2.796 -0.523 5.066 1.00 88.47 C +ATOM 104 CD PRO A 17 -3.911 -0.537 4.069 1.00 88.68 C +HETATM 105 N HYP A 18 -0.104 1.751 2.862 1.00 82.76 N +HETATM 106 CA HYP A 18 1.155 1.389 2.296 1.00 80.39 C +HETATM 107 C HYP A 18 1.691 0.121 2.881 1.00 87.96 C +HETATM 108 O HYP A 18 1.470 -0.160 4.071 1.00 86.37 O +HETATM 109 CB HYP A 18 2.060 2.574 2.707 1.00 83.92 C +HETATM 110 CG HYP A 18 1.117 3.740 2.875 1.00 79.66 C +HETATM 111 CD HYP A 18 -0.113 3.069 3.462 1.00 85.31 C +HETATM 112 OD1 HYP A 18 0.777 4.277 1.598 1.00 83.46 O +ATOM 113 N GLY A 19 2.309 -0.676 2.048 1.00 85.01 N +ATOM 114 CA GLY A 19 2.928 -1.890 2.511 1.00 84.77 C +ATOM 115 C GLY A 19 4.096 -1.595 3.432 1.00 85.13 C +ATOM 116 O GLY A 19 4.577 -0.467 3.512 1.00 86.23 O +ATOM 117 N PRO A 20 4.555 -2.617 4.128 1.00 74.41 N +ATOM 118 CA PRO A 20 5.688 -2.434 5.019 1.00 75.48 C +ATOM 119 C PRO A 20 6.973 -2.229 4.239 1.00 75.23 C +ATOM 120 O PRO A 20 7.052 -2.543 3.053 1.00 77.43 O +ATOM 121 CB PRO A 20 5.721 -3.741 5.802 1.00 73.78 C +ATOM 122 CG PRO A 20 5.141 -4.736 4.860 1.00 70.85 C +ATOM 123 CD PRO A 20 4.083 -3.997 4.101 1.00 71.40 C +HETATM 124 N HYP A 21 7.944 -1.670 4.936 1.00 82.18 N +HETATM 125 CA HYP A 21 9.244 -1.560 4.309 1.00 78.95 C +HETATM 126 C HYP A 21 9.798 -2.886 3.852 1.00 83.59 C +HETATM 127 O HYP A 21 9.551 -3.907 4.492 1.00 89.48 O +HETATM 128 CB HYP A 21 10.109 -0.974 5.430 1.00 81.11 C +HETATM 129 CG HYP A 21 9.155 -0.234 6.336 1.00 70.85 C +HETATM 130 CD HYP A 21 7.916 -1.107 6.296 1.00 83.63 C +HETATM 131 OD1 HYP A 21 8.820 1.019 5.752 1.00 75.78 O +ATOM 132 N GLY A 22 10.412 -2.893 2.709 1.00 84.64 N +ATOM 133 CA GLY A 22 11.058 -4.079 2.221 1.00 82.36 C +ATOM 134 C GLY A 22 12.276 -4.421 3.066 1.00 81.84 C +ATOM 135 O GLY A 22 12.633 -3.693 3.990 1.00 82.10 O +ATOM 136 N PRO A 23 12.932 -5.535 2.748 1.00 90.44 N +ATOM 137 CA PRO A 23 14.122 -5.910 3.493 1.00 90.26 C +ATOM 138 C PRO A 23 15.227 -4.899 3.253 1.00 88.74 C +ATOM 139 O PRO A 23 15.566 -4.616 2.108 1.00 85.69 O +ATOM 140 CB PRO A 23 14.468 -7.285 2.931 1.00 87.14 C +ATOM 141 CG PRO A 23 13.879 -7.288 1.578 1.00 84.62 C +ATOM 142 CD PRO A 23 12.642 -6.441 1.652 1.00 86.63 C +HETATM 143 N HYP A 24 15.720 -4.309 4.173 1.00 90.76 N +HETATM 144 CA HYP A 24 16.623 -3.111 3.982 1.00 87.43 C +HETATM 145 C HYP A 24 16.197 -2.184 2.978 1.00 89.76 C +HETATM 146 O HYP A 24 16.582 -0.991 2.926 1.00 86.36 O +HETATM 147 CB HYP A 24 17.354 -3.019 5.109 1.00 86.61 C +HETATM 148 CG HYP A 24 17.457 -4.479 5.611 1.00 85.34 C +HETATM 149 CD HYP A 24 16.124 -5.118 5.208 1.00 89.14 C +HETATM 150 OD1 HYP A 24 17.697 -4.552 6.954 1.00 84.64 O +HETATM 151 OXT HYP A 24 15.733 -2.504 1.942 1.00 87.06 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_29.txt b/protein_pdb_29.txt new file mode 100644 index 0000000000000000000000000000000000000000..55f7e5194fc3684774e4fab54428dc1946386a51 --- /dev/null +++ b/protein_pdb_29.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 4.588 7.280 11.462 1.00 71.84 N +ATOM 2 CA GLY A 1 4.424 7.982 10.200 1.00 76.01 C +ATOM 3 C GLY A 1 3.177 7.535 9.481 1.00 77.30 C +ATOM 4 O GLY A 1 2.435 6.688 9.981 1.00 74.71 O +ATOM 5 N PRO A 2 2.935 8.082 8.326 1.00 73.44 N +ATOM 6 CA PRO A 2 1.745 7.719 7.579 1.00 78.35 C +ATOM 7 C PRO A 2 1.835 6.307 7.041 1.00 78.63 C +ATOM 8 O PRO A 2 2.906 5.730 6.945 1.00 76.73 O +ATOM 9 CB PRO A 2 1.707 8.742 6.440 1.00 74.26 C +ATOM 10 CG PRO A 2 3.127 9.099 6.236 1.00 68.72 C +ATOM 11 CD PRO A 2 3.766 9.054 7.597 1.00 68.49 C +HETATM 12 N HYP A 3 0.735 5.821 6.744 1.00 76.05 N +HETATM 13 CA HYP A 3 0.662 4.520 6.089 1.00 79.88 C +HETATM 14 C HYP A 3 1.492 4.485 4.868 1.00 78.78 C +HETATM 15 O HYP A 3 1.627 5.516 4.133 1.00 83.56 O +HETATM 16 CB HYP A 3 -0.853 4.456 5.736 1.00 80.54 C +HETATM 17 CG HYP A 3 -1.531 5.330 6.748 1.00 76.15 C +HETATM 18 CD HYP A 3 -0.537 6.498 6.909 1.00 77.18 C +HETATM 19 OD1 HYP A 3 -1.651 4.655 7.965 1.00 81.68 O +ATOM 20 N GLY A 4 2.103 3.363 4.620 1.00 86.51 N +ATOM 21 CA GLY A 4 2.857 3.194 3.405 1.00 85.17 C +ATOM 22 C GLY A 4 1.946 3.178 2.198 1.00 84.30 C +ATOM 23 O GLY A 4 0.723 3.156 2.316 1.00 82.66 O +ATOM 24 N PRO A 5 2.549 3.183 1.018 1.00 85.14 N +ATOM 25 CA PRO A 5 1.749 3.154 -0.197 1.00 84.59 C +ATOM 26 C PRO A 5 1.056 1.818 -0.359 1.00 83.60 C +ATOM 27 O PRO A 5 1.454 0.823 0.230 1.00 81.21 O +ATOM 28 CB PRO A 5 2.779 3.395 -1.303 1.00 81.04 C +ATOM 29 CG PRO A 5 4.051 2.889 -0.730 1.00 77.99 C +ATOM 30 CD PRO A 5 3.982 3.182 0.743 1.00 80.71 C +HETATM 31 N HYP A 6 0.036 1.819 -1.157 1.00 82.96 N +HETATM 32 CA HYP A 6 -0.634 0.581 -1.481 1.00 86.45 C +HETATM 33 C HYP A 6 0.301 -0.403 -2.076 1.00 85.35 C +HETATM 34 O HYP A 6 1.291 -0.029 -2.759 1.00 85.41 O +HETATM 35 CB HYP A 6 -1.674 1.095 -2.516 1.00 83.19 C +HETATM 36 CG HYP A 6 -1.931 2.535 -2.141 1.00 81.64 C +HETATM 37 CD HYP A 6 -0.563 3.009 -1.761 1.00 83.04 C +HETATM 38 OD1 HYP A 6 -2.799 2.617 -1.037 1.00 83.61 O +ATOM 39 N GLY A 7 0.105 -1.655 -1.752 1.00 85.93 N +ATOM 40 CA GLY A 7 0.901 -2.705 -2.320 1.00 82.65 C +ATOM 41 C GLY A 7 0.674 -2.821 -3.811 1.00 83.54 C +ATOM 42 O GLY A 7 -0.172 -2.132 -4.389 1.00 82.48 O +ATOM 43 N PRO A 8 1.431 -3.689 -4.441 1.00 83.70 N +ATOM 44 CA PRO A 8 1.281 -3.858 -5.878 1.00 83.45 C +ATOM 45 C PRO A 8 -0.055 -4.488 -6.217 1.00 83.32 C +ATOM 46 O PRO A 8 -0.664 -5.174 -5.405 1.00 80.72 O +ATOM 47 CB PRO A 8 2.447 -4.767 -6.258 1.00 79.86 C +ATOM 48 CG PRO A 8 2.760 -5.503 -5.015 1.00 79.20 C +ATOM 49 CD PRO A 8 2.439 -4.568 -3.877 1.00 81.06 C +HETATM 50 N HYP A 9 -0.479 -4.290 -7.427 1.00 77.89 N +HETATM 51 CA HYP A 9 -1.687 -4.850 -7.879 1.00 80.65 C +HETATM 52 C HYP A 9 -1.596 -6.346 -7.930 1.00 80.48 C +HETATM 53 O HYP A 9 -0.549 -6.915 -8.195 1.00 81.42 O +HETATM 54 CB HYP A 9 -1.687 -4.330 -9.361 1.00 78.90 C +HETATM 55 CG HYP A 9 -0.919 -3.050 -9.334 1.00 77.50 C +HETATM 56 CD HYP A 9 0.179 -3.348 -8.373 1.00 81.35 C +HETATM 57 OD1 HYP A 9 -1.713 -2.005 -8.837 1.00 78.36 O +ATOM 58 N GLY A 10 -2.689 -7.014 -7.536 1.00 84.85 N +ATOM 59 CA GLY A 10 -2.764 -8.445 -7.684 1.00 82.59 C +ATOM 60 C GLY A 10 -2.894 -8.794 -9.151 1.00 83.34 C +ATOM 61 O GLY A 10 -2.850 -7.924 -10.028 1.00 80.64 O +ATOM 62 N GLU A 11 -3.052 -10.077 -9.433 1.00 82.72 N +ATOM 63 CA GLU A 11 -3.239 -10.506 -10.808 1.00 85.62 C +ATOM 64 C GLU A 11 -4.577 -9.991 -11.304 1.00 84.28 C +ATOM 65 O GLU A 11 -5.624 -10.491 -10.912 1.00 80.86 O +ATOM 66 CB GLU A 11 -3.187 -12.023 -10.910 1.00 82.68 C +ATOM 67 CG GLU A 11 -1.781 -12.571 -11.045 1.00 76.25 C +ATOM 68 CD GLU A 11 -1.101 -12.097 -12.325 1.00 73.06 C +ATOM 69 OE1 GLU A 11 -0.355 -11.098 -12.249 1.00 69.79 O +ATOM 70 OE2 GLU A 11 -1.331 -12.712 -13.380 1.00 71.24 O +HETATM 71 N HYP A 12 -4.605 -9.012 -12.206 1.00 74.92 N +HETATM 72 CA HYP A 12 -5.705 -8.195 -12.348 1.00 74.08 C +HETATM 73 C HYP A 12 -6.444 -7.792 -11.220 1.00 81.22 C +HETATM 74 O HYP A 12 -7.664 -7.537 -11.219 1.00 80.23 O +HETATM 75 CB HYP A 12 -5.934 -7.735 -13.689 1.00 76.55 C +HETATM 76 CG HYP A 12 -4.666 -8.231 -14.425 1.00 74.77 C +HETATM 77 CD HYP A 12 -3.999 -9.151 -13.450 1.00 76.95 C +HETATM 78 OD1 HYP A 12 -3.810 -7.188 -14.710 1.00 78.03 O +ATOM 79 N GLY A 13 -5.767 -7.696 -10.104 1.00 83.01 N +ATOM 80 CA GLY A 13 -6.376 -7.393 -8.832 1.00 81.38 C +ATOM 81 C GLY A 13 -6.124 -5.966 -8.396 1.00 81.63 C +ATOM 82 O GLY A 13 -5.349 -5.230 -9.005 1.00 80.18 O +ATOM 83 N PRO A 14 -6.789 -5.578 -7.335 1.00 79.50 N +ATOM 84 CA PRO A 14 -6.650 -4.225 -6.825 1.00 80.26 C +ATOM 85 C PRO A 14 -5.307 -4.028 -6.143 1.00 79.51 C +ATOM 86 O PRO A 14 -4.609 -4.982 -5.812 1.00 76.92 O +ATOM 87 CB PRO A 14 -7.792 -4.113 -5.824 1.00 76.99 C +ATOM 88 CG PRO A 14 -7.963 -5.501 -5.319 1.00 75.16 C +ATOM 89 CD PRO A 14 -7.687 -6.393 -6.506 1.00 75.67 C +HETATM 90 N HYP A 15 -5.026 -2.801 -5.931 1.00 79.87 N +HETATM 91 CA HYP A 15 -3.826 -2.490 -5.175 1.00 81.47 C +HETATM 92 C HYP A 15 -3.877 -3.146 -3.826 1.00 82.88 C +HETATM 93 O HYP A 15 -4.967 -3.345 -3.280 1.00 82.66 O +HETATM 94 CB HYP A 15 -4.042 -0.941 -5.035 1.00 80.12 C +HETATM 95 CG HYP A 15 -4.893 -0.538 -6.237 1.00 78.32 C +HETATM 96 CD HYP A 15 -5.854 -1.698 -6.372 1.00 81.25 C +HETATM 97 OD1 HYP A 15 -4.114 -0.430 -7.385 1.00 79.84 O +ATOM 98 N GLY A 16 -2.735 -3.535 -3.352 1.00 85.24 N +ATOM 99 CA GLY A 16 -2.667 -4.113 -2.041 1.00 84.47 C +ATOM 100 C GLY A 16 -3.026 -3.100 -0.971 1.00 85.71 C +ATOM 101 O GLY A 16 -3.212 -1.916 -1.251 1.00 85.03 O +ATOM 102 N PRO A 17 -3.131 -3.577 0.246 1.00 83.33 N +ATOM 103 CA PRO A 17 -3.453 -2.670 1.334 1.00 83.85 C +ATOM 104 C PRO A 17 -2.305 -1.714 1.599 1.00 84.42 C +ATOM 105 O PRO A 17 -1.160 -1.974 1.236 1.00 81.57 O +ATOM 106 CB PRO A 17 -3.699 -3.598 2.517 1.00 80.61 C +ATOM 107 CG PRO A 17 -2.919 -4.817 2.191 1.00 80.21 C +ATOM 108 CD PRO A 17 -2.945 -4.949 0.701 1.00 81.95 C +HETATM 109 N HYP A 18 -2.610 -0.624 2.238 1.00 85.67 N +HETATM 110 CA HYP A 18 -1.602 0.305 2.621 1.00 88.55 C +HETATM 111 C HYP A 18 -0.541 -0.369 3.431 1.00 86.86 C +HETATM 112 O HYP A 18 -0.823 -1.290 4.207 1.00 87.28 O +HETATM 113 CB HYP A 18 -2.374 1.311 3.422 1.00 85.07 C +HETATM 114 CG HYP A 18 -3.768 1.256 2.856 1.00 83.92 C +HETATM 115 CD HYP A 18 -3.934 -0.210 2.585 1.00 86.71 C +HETATM 116 OD1 HYP A 18 -3.843 1.970 1.646 1.00 84.78 O +ATOM 117 N GLY A 19 0.662 0.034 3.216 1.00 86.73 N +ATOM 118 CA GLY A 19 1.760 -0.489 3.973 1.00 86.08 C +ATOM 119 C GLY A 19 1.670 -0.076 5.424 1.00 87.00 C +ATOM 120 O GLY A 19 0.797 0.691 5.827 1.00 86.46 O +ATOM 121 N PRO A 20 2.581 -0.589 6.217 1.00 81.73 N +ATOM 122 CA PRO A 20 2.587 -0.237 7.627 1.00 81.86 C +ATOM 123 C PRO A 20 2.957 1.218 7.825 1.00 81.21 C +ATOM 124 O PRO A 20 3.534 1.863 6.951 1.00 79.50 O +ATOM 125 CB PRO A 20 3.637 -1.173 8.218 1.00 78.35 C +ATOM 126 CG PRO A 20 4.520 -1.507 7.086 1.00 76.07 C +ATOM 127 CD PRO A 20 3.666 -1.494 5.854 1.00 78.12 C +HETATM 128 N HYP A 21 2.622 1.749 8.977 1.00 82.05 N +HETATM 129 CA HYP A 21 2.987 3.065 9.306 1.00 84.56 C +HETATM 130 C HYP A 21 4.488 3.300 9.213 1.00 78.67 C +HETATM 131 O HYP A 21 5.244 2.381 9.504 1.00 83.36 O +HETATM 132 CB HYP A 21 2.497 3.227 10.702 1.00 80.14 C +HETATM 133 CG HYP A 21 1.317 2.290 10.768 1.00 79.15 C +HETATM 134 CD HYP A 21 1.792 1.107 9.960 1.00 84.34 C +HETATM 135 OD1 HYP A 21 0.183 2.853 10.141 1.00 83.67 O +ATOM 136 N GLY A 22 4.844 4.414 8.680 1.00 80.60 N +ATOM 137 CA GLY A 22 6.236 4.746 8.572 1.00 78.19 C +ATOM 138 C GLY A 22 6.866 4.926 9.942 1.00 77.92 C +ATOM 139 O GLY A 22 6.192 4.894 10.972 1.00 76.04 O +ATOM 140 N PRO A 23 8.169 5.134 9.957 1.00 77.01 N +ATOM 141 CA PRO A 23 8.859 5.328 11.221 1.00 79.09 C +ATOM 142 C PRO A 23 8.499 6.674 11.819 1.00 78.42 C +ATOM 143 O PRO A 23 8.033 7.577 11.135 1.00 74.40 O +ATOM 144 CB PRO A 23 10.331 5.265 10.830 1.00 73.41 C +ATOM 145 CG PRO A 23 10.351 5.722 9.423 1.00 70.60 C +ATOM 146 CD PRO A 23 9.070 5.226 8.812 1.00 72.48 C +HETATM 147 N HYP A 24 8.767 6.846 13.060 1.00 82.36 N +HETATM 148 CA HYP A 24 8.438 8.095 13.650 1.00 74.23 C +HETATM 149 C HYP A 24 9.097 9.267 12.972 1.00 79.59 C +HETATM 150 O HYP A 24 10.174 9.028 12.386 1.00 77.74 O +HETATM 151 CB HYP A 24 9.011 7.971 15.078 1.00 76.23 C +HETATM 152 CG HYP A 24 9.200 6.509 15.316 1.00 75.47 C +HETATM 153 CD HYP A 24 9.485 5.924 13.921 1.00 80.91 C +HETATM 154 OD1 HYP A 24 8.000 5.922 15.774 1.00 79.68 O +HETATM 155 OXT HYP A 24 8.548 10.372 13.086 1.00 75.16 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_290.txt b/protein_pdb_290.txt new file mode 100644 index 0000000000000000000000000000000000000000..dfb0140c16076bb59af6b3407465aec61b341216 --- /dev/null +++ b/protein_pdb_290.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -5.833 15.294 2.391 1.00 90.74 N +ATOM 2 CA GLY A 1 -6.401 14.198 1.677 1.00 91.21 C +ATOM 3 C GLY A 1 -6.555 12.950 2.518 1.00 91.90 C +ATOM 4 O GLY A 1 -5.933 12.822 3.570 1.00 90.25 O +ATOM 5 N PRO A 2 -7.325 12.039 2.066 1.00 89.44 N +ATOM 6 CA PRO A 2 -7.562 10.799 2.791 1.00 89.65 C +ATOM 7 C PRO A 2 -6.401 9.831 2.651 1.00 89.13 C +ATOM 8 O PRO A 2 -5.558 9.968 1.766 1.00 86.60 O +ATOM 9 CB PRO A 2 -8.817 10.254 2.122 1.00 86.02 C +ATOM 10 CG PRO A 2 -8.714 10.752 0.728 1.00 82.16 C +ATOM 11 CD PRO A 2 -8.103 12.119 0.837 1.00 84.44 C +HETATM 12 N HYP A 3 -6.386 8.845 3.545 1.00 89.65 N +HETATM 13 CA HYP A 3 -5.380 7.803 3.453 1.00 87.98 C +HETATM 14 C HYP A 3 -5.503 6.997 2.164 1.00 89.58 C +HETATM 15 O HYP A 3 -6.623 6.872 1.625 1.00 91.27 O +HETATM 16 CB HYP A 3 -5.751 6.873 4.660 1.00 85.31 C +HETATM 17 CG HYP A 3 -6.406 7.821 5.639 1.00 78.95 C +HETATM 18 CD HYP A 3 -7.192 8.785 4.706 1.00 86.90 C +HETATM 19 OD1 HYP A 3 -5.417 8.523 6.325 1.00 85.12 O +ATOM 20 N GLY A 4 -4.410 6.565 1.646 1.00 90.81 N +ATOM 21 CA GLY A 4 -4.405 5.761 0.461 1.00 89.57 C +ATOM 22 C GLY A 4 -4.988 4.384 0.715 1.00 90.30 C +ATOM 23 O GLY A 4 -5.244 3.996 1.858 1.00 90.18 O +ATOM 24 N PRO A 5 -5.207 3.617 -0.352 1.00 90.84 N +ATOM 25 CA PRO A 5 -5.764 2.282 -0.214 1.00 90.29 C +ATOM 26 C PRO A 5 -4.747 1.307 0.355 1.00 90.20 C +ATOM 27 O PRO A 5 -3.551 1.570 0.360 1.00 88.37 O +ATOM 28 CB PRO A 5 -6.143 1.917 -1.646 1.00 88.15 C +ATOM 29 CG PRO A 5 -5.155 2.666 -2.472 1.00 86.76 C +ATOM 30 CD PRO A 5 -4.918 3.956 -1.745 1.00 88.56 C +HETATM 31 N HYP A 6 -5.270 0.179 0.839 1.00 90.26 N +HETATM 32 CA HYP A 6 -4.401 -0.900 1.273 1.00 91.85 C +HETATM 33 C HYP A 6 -3.484 -1.365 0.172 1.00 91.45 C +HETATM 34 O HYP A 6 -3.851 -1.277 -1.032 1.00 92.35 O +HETATM 35 CB HYP A 6 -5.416 -2.006 1.661 1.00 85.96 C +HETATM 36 CG HYP A 6 -6.674 -1.261 2.015 1.00 85.62 C +HETATM 37 CD HYP A 6 -6.675 -0.096 1.031 1.00 88.96 C +HETATM 38 OD1 HYP A 6 -6.575 -0.765 3.327 1.00 86.28 O +ATOM 39 N GLY A 7 -2.324 -1.802 0.500 1.00 92.43 N +ATOM 40 CA GLY A 7 -1.398 -2.339 -0.459 1.00 91.25 C +ATOM 41 C GLY A 7 -1.928 -3.609 -1.083 1.00 91.64 C +ATOM 42 O GLY A 7 -2.913 -4.192 -0.626 1.00 90.92 O +ATOM 43 N PRO A 8 -1.274 -4.058 -2.137 1.00 91.70 N +ATOM 44 CA PRO A 8 -1.734 -5.255 -2.831 1.00 91.05 C +ATOM 45 C PRO A 8 -1.454 -6.523 -2.041 1.00 91.02 C +ATOM 46 O PRO A 8 -0.511 -6.595 -1.266 1.00 88.42 O +ATOM 47 CB PRO A 8 -0.953 -5.230 -4.142 1.00 88.00 C +ATOM 48 CG PRO A 8 0.281 -4.483 -3.812 1.00 87.50 C +ATOM 49 CD PRO A 8 -0.110 -3.461 -2.788 1.00 89.77 C +HETATM 50 N HYP A 9 -2.301 -7.533 -2.323 1.00 88.89 N +HETATM 51 CA HYP A 9 -2.148 -8.816 -1.726 1.00 86.95 C +HETATM 52 C HYP A 9 -0.896 -9.493 -2.292 1.00 87.78 C +HETATM 53 O HYP A 9 -0.380 -9.124 -3.337 1.00 88.32 O +HETATM 54 CB HYP A 9 -3.292 -9.687 -2.256 1.00 83.29 C +HETATM 55 CG HYP A 9 -4.282 -8.735 -2.773 1.00 84.21 C +HETATM 56 CD HYP A 9 -3.497 -7.534 -3.180 1.00 88.29 C +HETATM 57 OD1 HYP A 9 -5.148 -8.360 -1.713 1.00 84.25 O +ATOM 58 N GLY A 10 -0.418 -10.497 -1.807 1.00 88.10 N +ATOM 59 CA GLY A 10 0.645 -11.275 -2.385 1.00 84.79 C +ATOM 60 C GLY A 10 1.027 -12.430 -1.490 1.00 84.34 C +ATOM 61 O GLY A 10 0.516 -12.578 -0.381 1.00 82.04 O +ATOM 62 N ASN A 11 1.943 -13.233 -1.983 1.00 89.07 N +ATOM 63 CA ASN A 11 2.383 -14.389 -1.209 1.00 90.76 C +ATOM 64 C ASN A 11 3.136 -13.991 0.047 1.00 90.51 C +ATOM 65 O ASN A 11 3.299 -14.806 0.953 1.00 87.82 O +ATOM 66 CB ASN A 11 3.258 -15.292 -2.073 1.00 88.23 C +ATOM 67 CG ASN A 11 2.474 -15.983 -3.164 1.00 83.03 C +ATOM 68 OD1 ASN A 11 1.255 -16.099 -3.092 1.00 79.84 O +ATOM 69 ND2 ASN A 11 3.172 -16.458 -4.185 1.00 76.38 N +ATOM 70 N GLU A 12 3.616 -12.751 0.090 1.00 85.42 N +ATOM 71 CA GLU A 12 4.323 -12.273 1.272 1.00 86.53 C +ATOM 72 C GLU A 12 3.388 -11.901 2.406 1.00 86.79 C +ATOM 73 O GLU A 12 3.850 -11.659 3.524 1.00 81.12 O +ATOM 74 CB GLU A 12 5.198 -11.081 0.907 1.00 81.79 C +ATOM 75 CG GLU A 12 6.325 -11.446 -0.044 1.00 75.96 C +ATOM 76 CD GLU A 12 7.243 -10.291 -0.367 1.00 71.67 C +ATOM 77 OE1 GLU A 12 6.930 -9.149 0.017 1.00 66.17 O +ATOM 78 OE2 GLU A 12 8.274 -10.529 -1.015 1.00 68.28 O +ATOM 79 N GLY A 13 2.095 -11.836 2.156 1.00 90.77 N +ATOM 80 CA GLY A 13 1.166 -11.529 3.221 1.00 89.58 C +ATOM 81 C GLY A 13 -0.078 -10.818 2.743 1.00 90.73 C +ATOM 82 O GLY A 13 -0.328 -10.716 1.541 1.00 90.17 O +ATOM 83 N PRO A 14 -0.866 -10.354 3.688 1.00 92.00 N +ATOM 84 CA PRO A 14 -2.115 -9.671 3.373 1.00 92.06 C +ATOM 85 C PRO A 14 -1.858 -8.288 2.790 1.00 92.21 C +ATOM 86 O PRO A 14 -0.717 -7.840 2.701 1.00 90.36 O +ATOM 87 CB PRO A 14 -2.816 -9.587 4.719 1.00 89.96 C +ATOM 88 CG PRO A 14 -1.710 -9.521 5.699 1.00 88.98 C +ATOM 89 CD PRO A 14 -0.624 -10.395 5.135 1.00 90.29 C +HETATM 90 N HYP A 15 -2.967 -7.635 2.434 1.00 90.87 N +HETATM 91 CA HYP A 15 -2.849 -6.301 1.928 1.00 92.07 C +HETATM 92 C HYP A 15 -2.089 -5.416 2.870 1.00 91.48 C +HETATM 93 O HYP A 15 -2.195 -5.611 4.119 1.00 91.92 O +HETATM 94 CB HYP A 15 -4.296 -5.824 1.795 1.00 89.42 C +HETATM 95 CG HYP A 15 -5.076 -7.087 1.622 1.00 88.00 C +HETATM 96 CD HYP A 15 -4.351 -8.073 2.511 1.00 90.45 C +HETATM 97 OD1 HYP A 15 -5.020 -7.491 0.307 1.00 87.95 O +ATOM 98 N GLY A 16 -1.311 -4.540 2.340 1.00 93.24 N +ATOM 99 CA GLY A 16 -0.587 -3.609 3.152 1.00 92.77 C +ATOM 100 C GLY A 16 -1.509 -2.611 3.817 1.00 93.51 C +ATOM 101 O GLY A 16 -2.707 -2.570 3.537 1.00 93.06 O +ATOM 102 N PRO A 17 -0.945 -1.812 4.707 1.00 90.83 N +ATOM 103 CA PRO A 17 -1.748 -0.806 5.384 1.00 90.95 C +ATOM 104 C PRO A 17 -2.131 0.322 4.441 1.00 91.22 C +ATOM 105 O PRO A 17 -1.560 0.472 3.364 1.00 89.06 O +ATOM 106 CB PRO A 17 -0.820 -0.310 6.493 1.00 88.45 C +ATOM 107 CG PRO A 17 0.541 -0.533 5.943 1.00 87.31 C +ATOM 108 CD PRO A 17 0.452 -1.779 5.115 1.00 89.44 C +HETATM 109 N HYP A 18 -3.109 1.104 4.863 1.00 89.57 N +HETATM 110 CA HYP A 18 -3.472 2.252 4.111 1.00 87.85 C +HETATM 111 C HYP A 18 -2.334 3.199 3.909 1.00 90.56 C +HETATM 112 O HYP A 18 -1.452 3.306 4.800 1.00 91.44 O +HETATM 113 CB HYP A 18 -4.591 2.886 4.976 1.00 86.65 C +HETATM 114 CG HYP A 18 -5.188 1.713 5.720 1.00 84.42 C +HETATM 115 CD HYP A 18 -3.971 0.858 6.003 1.00 89.76 C +HETATM 116 OD1 HYP A 18 -6.078 1.022 4.877 1.00 87.35 O +ATOM 117 N GLY A 19 -2.286 3.809 2.783 1.00 88.73 N +ATOM 118 CA GLY A 19 -1.263 4.778 2.490 1.00 87.98 C +ATOM 119 C GLY A 19 -1.400 6.000 3.370 1.00 88.30 C +ATOM 120 O GLY A 19 -2.368 6.154 4.111 1.00 88.65 O +ATOM 121 N PRO A 20 -0.415 6.876 3.292 1.00 88.43 N +ATOM 122 CA PRO A 20 -0.435 8.075 4.113 1.00 88.76 C +ATOM 123 C PRO A 20 -1.485 9.068 3.641 1.00 88.51 C +ATOM 124 O PRO A 20 -1.919 9.036 2.499 1.00 87.13 O +ATOM 125 CB PRO A 20 0.971 8.647 3.938 1.00 85.89 C +ATOM 126 CG PRO A 20 1.367 8.181 2.581 1.00 83.37 C +ATOM 127 CD PRO A 20 0.759 6.813 2.432 1.00 86.50 C +HETATM 128 N HYP A 21 -1.868 9.927 4.550 1.00 88.05 N +HETATM 129 CA HYP A 21 -2.770 10.984 4.204 1.00 88.06 C +HETATM 130 C HYP A 21 -2.222 11.916 3.153 1.00 88.07 C +HETATM 131 O HYP A 21 -0.997 12.149 3.139 1.00 91.98 O +HETATM 132 CB HYP A 21 -2.941 11.768 5.532 1.00 85.95 C +HETATM 133 CG HYP A 21 -2.563 10.812 6.635 1.00 82.32 C +HETATM 134 CD HYP A 21 -1.499 9.950 5.993 1.00 89.19 C +HETATM 135 OD1 HYP A 21 -3.685 9.982 6.946 1.00 85.38 O +ATOM 136 N GLY A 22 -3.007 12.305 2.248 1.00 88.80 N +ATOM 137 CA GLY A 22 -2.600 13.305 1.301 1.00 86.09 C +ATOM 138 C GLY A 22 -2.517 14.658 1.984 1.00 86.22 C +ATOM 139 O GLY A 22 -2.901 14.813 3.141 1.00 85.60 O +ATOM 140 N PRO A 23 -2.021 15.667 1.283 1.00 92.71 N +ATOM 141 CA PRO A 23 -1.974 17.001 1.865 1.00 92.59 C +ATOM 142 C PRO A 23 -3.384 17.557 1.976 1.00 91.52 C +ATOM 143 O PRO A 23 -4.091 17.657 0.977 1.00 88.07 O +ATOM 144 CB PRO A 23 -1.117 17.792 0.879 1.00 89.32 C +ATOM 145 CG PRO A 23 -1.248 17.061 -0.404 1.00 87.26 C +ATOM 146 CD PRO A 23 -1.475 15.619 -0.062 1.00 90.03 C +HETATM 147 N HYP A 24 -3.880 17.740 3.121 1.00 94.86 N +HETATM 148 CA HYP A 24 -5.377 17.834 3.322 1.00 90.23 C +HETATM 149 C HYP A 24 -6.226 16.842 3.005 1.00 94.39 C +HETATM 150 O HYP A 24 -7.251 17.055 2.198 1.00 91.74 O +HETATM 151 CB HYP A 24 -5.528 18.709 4.538 1.00 87.82 C +HETATM 152 CG HYP A 24 -4.234 19.529 4.585 1.00 87.34 C +HETATM 153 CD HYP A 24 -3.162 18.620 3.920 1.00 91.70 C +HETATM 154 OD1 HYP A 24 -3.872 19.912 5.877 1.00 88.64 O +HETATM 155 OXT HYP A 24 -6.704 15.987 3.991 1.00 86.54 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_291.txt b/protein_pdb_291.txt new file mode 100644 index 0000000000000000000000000000000000000000..9e05729d34e11d400ff6e623ac324c05d86a23ce --- /dev/null +++ b/protein_pdb_291.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 6.461 -15.040 -2.375 1.00 85.04 N +ATOM 2 CA GLY A 1 6.225 -14.246 -3.546 1.00 85.20 C +ATOM 3 C GLY A 1 6.628 -12.801 -3.363 1.00 85.70 C +ATOM 4 O GLY A 1 7.033 -12.395 -2.280 1.00 83.77 O +ATOM 5 N PRO A 2 6.476 -11.991 -4.388 1.00 86.61 N +ATOM 6 CA PRO A 2 6.859 -10.589 -4.328 1.00 87.47 C +ATOM 7 C PRO A 2 5.857 -9.750 -3.564 1.00 86.91 C +ATOM 8 O PRO A 2 4.738 -10.172 -3.304 1.00 84.00 O +ATOM 9 CB PRO A 2 6.905 -10.189 -5.801 1.00 84.41 C +ATOM 10 CG PRO A 2 5.898 -11.071 -6.443 1.00 80.03 C +ATOM 11 CD PRO A 2 5.974 -12.377 -5.698 1.00 81.75 C +HETATM 12 N HYP A 3 6.281 -8.550 -3.228 1.00 84.37 N +HETATM 13 CA HYP A 3 5.375 -7.615 -2.571 1.00 83.75 C +HETATM 14 C HYP A 3 4.190 -7.292 -3.462 1.00 88.57 C +HETATM 15 O HYP A 3 4.296 -7.340 -4.697 1.00 89.81 O +HETATM 16 CB HYP A 3 6.292 -6.348 -2.423 1.00 84.92 C +HETATM 17 CG HYP A 3 7.700 -6.911 -2.374 1.00 79.27 C +HETATM 18 CD HYP A 3 7.634 -8.083 -3.375 1.00 84.87 C +HETATM 19 OD1 HYP A 3 7.942 -7.415 -1.091 1.00 83.09 O +ATOM 20 N GLY A 4 3.079 -7.071 -2.834 1.00 89.94 N +ATOM 21 CA GLY A 4 1.898 -6.695 -3.554 1.00 89.05 C +ATOM 22 C GLY A 4 2.031 -5.311 -4.161 1.00 90.22 C +ATOM 23 O GLY A 4 2.987 -4.584 -3.897 1.00 89.91 O +ATOM 24 N PRO A 5 1.068 -4.941 -4.984 1.00 90.41 N +ATOM 25 CA PRO A 5 1.105 -3.631 -5.617 1.00 90.57 C +ATOM 26 C PRO A 5 0.836 -2.521 -4.620 1.00 90.50 C +ATOM 27 O PRO A 5 0.267 -2.742 -3.557 1.00 88.62 O +ATOM 28 CB PRO A 5 -0.005 -3.715 -6.655 1.00 88.71 C +ATOM 29 CG PRO A 5 -0.961 -4.689 -6.075 1.00 86.49 C +ATOM 30 CD PRO A 5 -0.128 -5.695 -5.344 1.00 88.22 C +HETATM 31 N HYP A 6 1.288 -1.323 -4.981 1.00 87.97 N +HETATM 32 CA HYP A 6 0.952 -0.157 -4.187 1.00 92.75 C +HETATM 33 C HYP A 6 -0.524 0.027 -4.076 1.00 91.29 C +HETATM 34 O HYP A 6 -1.286 -0.363 -4.997 1.00 90.22 O +HETATM 35 CB HYP A 6 1.593 0.983 -5.030 1.00 85.49 C +HETATM 36 CG HYP A 6 2.723 0.307 -5.760 1.00 85.55 C +HETATM 37 CD HYP A 6 2.146 -1.046 -6.095 1.00 87.59 C +HETATM 38 OD1 HYP A 6 3.812 0.151 -4.874 1.00 86.20 O +ATOM 39 N GLY A 7 -0.954 0.545 -2.977 1.00 91.71 N +ATOM 40 CA GLY A 7 -2.349 0.846 -2.771 1.00 90.36 C +ATOM 41 C GLY A 7 -2.824 1.924 -3.716 1.00 90.40 C +ATOM 42 O GLY A 7 -2.041 2.563 -4.412 1.00 89.88 O +ATOM 43 N PRO A 8 -4.132 2.119 -3.747 1.00 91.10 N +ATOM 44 CA PRO A 8 -4.691 3.113 -4.643 1.00 90.16 C +ATOM 45 C PRO A 8 -4.401 4.526 -4.164 1.00 90.11 C +ATOM 46 O PRO A 8 -4.202 4.776 -2.984 1.00 87.69 O +ATOM 47 CB PRO A 8 -6.184 2.823 -4.613 1.00 87.69 C +ATOM 48 CG PRO A 8 -6.402 2.218 -3.277 1.00 86.88 C +ATOM 49 CD PRO A 8 -5.152 1.430 -2.969 1.00 88.55 C +HETATM 50 N HYP A 9 -4.401 5.454 -5.118 1.00 86.18 N +HETATM 51 CA HYP A 9 -4.235 6.825 -4.799 1.00 86.29 C +HETATM 52 C HYP A 9 -5.472 7.356 -4.077 1.00 87.19 C +HETATM 53 O HYP A 9 -6.592 6.854 -4.278 1.00 87.04 O +HETATM 54 CB HYP A 9 -4.251 7.505 -6.215 1.00 80.48 C +HETATM 55 CG HYP A 9 -3.907 6.422 -7.168 1.00 78.25 C +HETATM 56 CD HYP A 9 -4.450 5.201 -6.575 1.00 84.87 C +HETATM 57 OD1 HYP A 9 -2.491 6.318 -7.214 1.00 81.13 O +ATOM 58 N GLY A 10 -5.337 8.256 -3.198 1.00 88.60 N +ATOM 59 CA GLY A 10 -6.456 8.990 -2.655 1.00 85.55 C +ATOM 60 C GLY A 10 -6.930 10.027 -3.649 1.00 85.64 C +ATOM 61 O GLY A 10 -6.483 10.071 -4.793 1.00 83.34 O +ATOM 62 N ASN A 11 -7.847 10.861 -3.205 1.00 86.34 N +ATOM 63 CA ASN A 11 -8.333 11.913 -4.102 1.00 89.88 C +ATOM 64 C ASN A 11 -7.186 12.724 -4.678 1.00 89.67 C +ATOM 65 O ASN A 11 -7.173 13.036 -5.869 1.00 87.14 O +ATOM 66 CB ASN A 11 -9.296 12.843 -3.361 1.00 87.60 C +ATOM 67 CG ASN A 11 -10.639 12.199 -3.121 1.00 81.10 C +ATOM 68 OD1 ASN A 11 -10.994 11.198 -3.744 1.00 78.03 O +ATOM 69 ND2 ASN A 11 -11.407 12.781 -2.221 1.00 75.09 N +ATOM 70 N THR A 12 -6.238 13.069 -3.815 1.00 86.07 N +ATOM 71 CA THR A 12 -5.013 13.737 -4.229 1.00 87.20 C +ATOM 72 C THR A 12 -3.792 13.070 -3.620 1.00 87.34 C +ATOM 73 O THR A 12 -2.677 13.572 -3.761 1.00 83.40 O +ATOM 74 CB THR A 12 -5.028 15.227 -3.836 1.00 85.33 C +ATOM 75 OG1 THR A 12 -5.135 15.333 -2.422 1.00 81.39 O +ATOM 76 CG2 THR A 12 -6.195 15.957 -4.483 1.00 78.73 C +ATOM 77 N GLY A 13 -3.986 11.971 -2.935 1.00 90.56 N +ATOM 78 CA GLY A 13 -2.931 11.352 -2.162 1.00 88.90 C +ATOM 79 C GLY A 13 -2.104 10.371 -2.956 1.00 89.11 C +ATOM 80 O GLY A 13 -2.490 9.933 -4.041 1.00 88.91 O +ATOM 81 N PRO A 14 -0.967 10.018 -2.412 1.00 90.23 N +ATOM 82 CA PRO A 14 -0.083 9.070 -3.068 1.00 89.87 C +ATOM 83 C PRO A 14 -0.609 7.648 -2.947 1.00 89.92 C +ATOM 84 O PRO A 14 -1.480 7.356 -2.145 1.00 87.71 O +ATOM 85 CB PRO A 14 1.225 9.226 -2.301 1.00 88.03 C +ATOM 86 CG PRO A 14 0.784 9.591 -0.926 1.00 87.53 C +ATOM 87 CD PRO A 14 -0.433 10.461 -1.119 1.00 88.32 C +HETATM 88 N HYP A 15 -0.035 6.815 -3.750 1.00 90.08 N +HETATM 89 CA HYP A 15 -0.327 5.399 -3.619 1.00 89.15 C +HETATM 90 C HYP A 15 0.086 4.886 -2.273 1.00 91.15 C +HETATM 91 O HYP A 15 1.008 5.414 -1.632 1.00 91.18 O +HETATM 92 CB HYP A 15 0.644 4.822 -4.706 1.00 85.64 C +HETATM 93 CG HYP A 15 0.848 5.948 -5.689 1.00 83.50 C +HETATM 94 CD HYP A 15 0.876 7.153 -4.822 1.00 89.03 C +HETATM 95 OD1 HYP A 15 -0.248 6.013 -6.572 1.00 86.51 O +ATOM 96 N GLY A 16 -0.625 3.909 -1.818 1.00 91.54 N +ATOM 97 CA GLY A 16 -0.251 3.252 -0.595 1.00 91.59 C +ATOM 98 C GLY A 16 1.010 2.436 -0.771 1.00 92.93 C +ATOM 99 O GLY A 16 1.535 2.302 -1.879 1.00 92.73 O +ATOM 100 N PRO A 17 1.495 1.888 0.330 1.00 90.92 N +ATOM 101 CA PRO A 17 2.698 1.076 0.256 1.00 91.06 C +ATOM 102 C PRO A 17 2.434 -0.255 -0.434 1.00 92.02 C +ATOM 103 O PRO A 17 1.298 -0.690 -0.546 1.00 90.81 O +ATOM 104 CB PRO A 17 3.075 0.881 1.725 1.00 89.66 C +ATOM 105 CG PRO A 17 1.776 0.978 2.441 1.00 88.70 C +ATOM 106 CD PRO A 17 0.959 1.975 1.683 1.00 89.49 C +HETATM 107 N HYP A 18 3.515 -0.871 -0.891 1.00 88.65 N +HETATM 108 CA HYP A 18 3.390 -2.198 -1.418 1.00 89.47 C +HETATM 109 C HYP A 18 2.827 -3.150 -0.417 1.00 89.45 C +HETATM 110 O HYP A 18 3.029 -2.982 0.800 1.00 91.53 O +HETATM 111 CB HYP A 18 4.878 -2.549 -1.717 1.00 87.33 C +HETATM 112 CG HYP A 18 5.548 -1.219 -1.955 1.00 84.88 C +HETATM 113 CD HYP A 18 4.853 -0.326 -0.966 1.00 90.03 C +HETATM 114 OD1 HYP A 18 5.264 -0.795 -3.280 1.00 87.60 O +ATOM 115 N GLY A 19 2.092 -4.093 -0.885 1.00 90.42 N +ATOM 116 CA GLY A 19 1.570 -5.127 -0.037 1.00 89.86 C +ATOM 117 C GLY A 19 2.675 -6.012 0.498 1.00 90.72 C +ATOM 118 O GLY A 19 3.839 -5.895 0.106 1.00 91.18 O +ATOM 119 N PRO A 20 2.304 -6.903 1.400 1.00 85.51 N +ATOM 120 CA PRO A 20 3.293 -7.796 1.976 1.00 85.58 C +ATOM 121 C PRO A 20 3.769 -8.825 0.966 1.00 85.21 C +ATOM 122 O PRO A 20 3.110 -9.078 -0.032 1.00 84.87 O +ATOM 123 CB PRO A 20 2.537 -8.462 3.121 1.00 83.26 C +ATOM 124 CG PRO A 20 1.122 -8.424 2.675 1.00 80.78 C +ATOM 125 CD PRO A 20 0.962 -7.148 1.895 1.00 82.18 C +HETATM 126 N HYP A 21 4.933 -9.379 1.262 1.00 87.16 N +HETATM 127 CA HYP A 21 5.416 -10.458 0.439 1.00 86.79 C +HETATM 128 C HYP A 21 4.448 -11.623 0.380 1.00 86.39 C +HETATM 129 O HYP A 21 3.752 -11.874 1.349 1.00 91.68 O +HETATM 130 CB HYP A 21 6.710 -10.874 1.121 1.00 86.79 C +HETATM 131 CG HYP A 21 7.169 -9.633 1.868 1.00 80.35 C +HETATM 132 CD HYP A 21 5.887 -9.013 2.326 1.00 87.51 C +HETATM 133 OD1 HYP A 21 7.792 -8.734 0.947 1.00 84.66 O +ATOM 134 N GLY A 22 4.322 -12.205 -0.777 1.00 89.04 N +ATOM 135 CA GLY A 22 3.487 -13.357 -0.945 1.00 86.78 C +ATOM 136 C GLY A 22 4.050 -14.557 -0.205 1.00 86.90 C +ATOM 137 O GLY A 22 5.140 -14.497 0.363 1.00 86.10 O +ATOM 138 N PRO A 23 3.325 -15.657 -0.221 1.00 90.93 N +ATOM 139 CA PRO A 23 3.817 -16.876 0.417 1.00 90.68 C +ATOM 140 C PRO A 23 5.122 -17.323 -0.211 1.00 90.04 C +ATOM 141 O PRO A 23 5.272 -17.268 -1.429 1.00 86.66 O +ATOM 142 CB PRO A 23 2.717 -17.893 0.154 1.00 87.56 C +ATOM 143 CG PRO A 23 1.517 -17.072 -0.152 1.00 85.44 C +ATOM 144 CD PRO A 23 2.023 -15.840 -0.823 1.00 87.48 C +HETATM 145 N HYP A 24 6.050 -17.684 0.477 1.00 90.89 N +HETATM 146 CA HYP A 24 7.384 -17.958 -0.101 1.00 85.91 C +HETATM 147 C HYP A 24 7.676 -17.277 -1.315 1.00 88.66 C +HETATM 148 O HYP A 24 8.770 -16.624 -1.537 1.00 87.16 O +HETATM 149 CB HYP A 24 8.135 -18.557 0.904 1.00 85.05 C +HETATM 150 CG HYP A 24 7.095 -19.179 1.877 1.00 84.22 C +HETATM 151 CD HYP A 24 5.813 -18.373 1.662 1.00 88.18 C +HETATM 152 OD1 HYP A 24 7.505 -19.011 3.215 1.00 84.21 O +HETATM 153 OXT HYP A 24 7.025 -17.621 -2.337 1.00 83.80 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_292.txt b/protein_pdb_292.txt new file mode 100644 index 0000000000000000000000000000000000000000..849034961e106e3eea4fedad5edde82fbd071bfb --- /dev/null +++ b/protein_pdb_292.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -21.570 4.514 -27.447 1.00 94.14 N +ATOM 2 CA GLY A 1 -21.754 5.159 -26.152 1.00 94.90 C +ATOM 3 C GLY A 1 -20.501 5.873 -25.698 1.00 95.50 C +ATOM 4 O GLY A 1 -19.442 5.740 -26.326 1.00 94.51 O +ATOM 5 N PRO A 2 -20.558 6.629 -24.621 1.00 93.91 N +ATOM 6 CA PRO A 2 -19.399 7.362 -24.121 1.00 95.27 C +ATOM 7 C PRO A 2 -18.340 6.419 -23.567 1.00 95.11 C +ATOM 8 O PRO A 2 -18.618 5.266 -23.247 1.00 94.34 O +ATOM 9 CB PRO A 2 -19.985 8.254 -23.022 1.00 93.81 C +ATOM 10 CG PRO A 2 -21.154 7.467 -22.536 1.00 90.27 C +ATOM 11 CD PRO A 2 -21.737 6.850 -23.785 1.00 92.07 C +HETATM 12 N HYP A 3 -17.197 6.877 -23.528 1.00 95.67 N +HETATM 13 CA HYP A 3 -16.064 6.120 -22.881 1.00 94.05 C +HETATM 14 C HYP A 3 -16.383 5.670 -21.509 1.00 95.87 C +HETATM 15 O HYP A 3 -17.138 6.357 -20.792 1.00 95.91 O +HETATM 16 CB HYP A 3 -14.922 7.108 -22.985 1.00 95.68 C +HETATM 17 CG HYP A 3 -15.275 8.023 -24.167 1.00 92.41 C +HETATM 18 CD HYP A 3 -16.789 8.159 -24.023 1.00 94.63 C +HETATM 19 OD1 HYP A 3 -14.977 7.404 -25.386 1.00 94.24 O +ATOM 20 N GLY A 4 -15.844 4.520 -21.089 1.00 95.44 N +ATOM 21 CA GLY A 4 -16.066 4.003 -19.760 1.00 94.75 C +ATOM 22 C GLY A 4 -15.416 4.893 -18.719 1.00 94.92 C +ATOM 23 O GLY A 4 -14.597 5.758 -19.048 1.00 95.51 O +ATOM 24 N PRO A 5 -15.756 4.694 -17.457 1.00 95.01 N +ATOM 25 CA PRO A 5 -15.188 5.515 -16.388 1.00 94.97 C +ATOM 26 C PRO A 5 -13.726 5.180 -16.146 1.00 94.90 C +ATOM 27 O PRO A 5 -13.247 4.122 -16.532 1.00 95.03 O +ATOM 28 CB PRO A 5 -16.057 5.161 -15.183 1.00 93.73 C +ATOM 29 CG PRO A 5 -16.451 3.749 -15.457 1.00 91.20 C +ATOM 30 CD PRO A 5 -16.696 3.710 -16.947 1.00 93.03 C +HETATM 31 N HYP A 6 -13.022 6.087 -15.559 1.00 95.57 N +HETATM 32 CA HYP A 6 -11.645 5.811 -15.088 1.00 96.25 C +HETATM 33 C HYP A 6 -11.558 4.628 -14.223 1.00 94.29 C +HETATM 34 O HYP A 6 -12.504 4.340 -13.442 1.00 94.71 O +HETATM 35 CB HYP A 6 -11.281 7.125 -14.400 1.00 92.74 C +HETATM 36 CG HYP A 6 -12.154 8.187 -15.037 1.00 92.47 C +HETATM 37 CD HYP A 6 -13.417 7.408 -15.264 1.00 94.12 C +HETATM 38 OD1 HYP A 6 -11.629 8.627 -16.270 1.00 93.60 O +ATOM 39 N GLY A 7 -10.460 3.871 -14.286 1.00 96.71 N +ATOM 40 CA GLY A 7 -10.254 2.708 -13.465 1.00 96.36 C +ATOM 41 C GLY A 7 -10.124 3.093 -12.001 1.00 96.40 C +ATOM 42 O GLY A 7 -9.976 4.266 -11.669 1.00 96.23 O +ATOM 43 N PRO A 8 -10.165 2.106 -11.127 1.00 94.60 N +ATOM 44 CA PRO A 8 -10.058 2.382 -9.700 1.00 94.66 C +ATOM 45 C PRO A 8 -8.644 2.777 -9.306 1.00 94.21 C +ATOM 46 O PRO A 8 -7.681 2.480 -10.015 1.00 93.48 O +ATOM 47 CB PRO A 8 -10.468 1.057 -9.054 1.00 93.54 C +ATOM 48 CG PRO A 8 -10.021 0.044 -10.062 1.00 92.83 C +ATOM 49 CD PRO A 8 -10.338 0.687 -11.395 1.00 94.31 C +HETATM 50 N HYP A 9 -8.481 3.431 -8.218 1.00 94.38 N +HETATM 51 CA HYP A 9 -7.203 3.760 -7.663 1.00 93.79 C +HETATM 52 C HYP A 9 -6.429 2.524 -7.373 1.00 94.69 C +HETATM 53 O HYP A 9 -6.982 1.474 -7.010 1.00 92.96 O +HETATM 54 CB HYP A 9 -7.554 4.482 -6.356 1.00 91.46 C +HETATM 55 CG HYP A 9 -8.913 4.988 -6.569 1.00 90.43 C +HETATM 56 CD HYP A 9 -9.524 3.950 -7.406 1.00 92.76 C +HETATM 57 OD1 HYP A 9 -8.866 6.217 -7.293 1.00 91.66 O +ATOM 58 N GLY A 10 -5.103 2.621 -7.442 1.00 94.48 N +ATOM 59 CA GLY A 10 -4.254 1.509 -7.104 1.00 92.95 C +ATOM 60 C GLY A 10 -4.385 1.156 -5.632 1.00 93.06 C +ATOM 61 O GLY A 10 -4.788 1.977 -4.801 1.00 91.99 O +ATOM 62 N GLY A 11 -4.035 -0.083 -5.313 1.00 92.66 N +ATOM 63 CA GLY A 11 -4.105 -0.524 -3.931 1.00 91.63 C +ATOM 64 C GLY A 11 -3.037 0.137 -3.083 1.00 92.17 C +ATOM 65 O GLY A 11 -2.044 0.654 -3.588 1.00 89.58 O +ATOM 66 N ARG A 12 -3.234 0.106 -1.778 1.00 91.87 N +ATOM 67 CA ARG A 12 -2.262 0.680 -0.864 1.00 92.60 C +ATOM 68 C ARG A 12 -0.977 -0.137 -0.938 1.00 92.94 C +ATOM 69 O ARG A 12 -1.012 -1.354 -1.118 1.00 90.32 O +ATOM 70 CB ARG A 12 -2.823 0.664 0.566 1.00 88.99 C +ATOM 71 CG ARG A 12 -1.922 1.359 1.574 1.00 82.32 C +ATOM 72 CD ARG A 12 -2.570 1.414 2.934 1.00 79.44 C +ATOM 73 NE ARG A 12 -1.748 2.141 3.892 1.00 75.24 N +ATOM 74 CZ ARG A 12 -2.073 2.356 5.156 1.00 73.09 C +ATOM 75 NH1 ARG A 12 -3.212 1.892 5.644 1.00 70.33 N +ATOM 76 NH2 ARG A 12 -1.258 3.033 5.952 1.00 66.13 N +ATOM 77 N GLY A 13 0.142 0.561 -0.822 1.00 94.22 N +ATOM 78 CA GLY A 13 1.422 -0.116 -0.879 1.00 92.80 C +ATOM 79 C GLY A 13 1.616 -1.082 0.279 1.00 93.41 C +ATOM 80 O GLY A 13 0.871 -1.049 1.257 1.00 93.30 O +ATOM 81 N PRO A 14 2.609 -1.963 0.175 1.00 94.13 N +ATOM 82 CA PRO A 14 2.863 -2.941 1.224 1.00 93.87 C +ATOM 83 C PRO A 14 3.414 -2.277 2.479 1.00 93.82 C +ATOM 84 O PRO A 14 3.913 -1.163 2.438 1.00 93.67 O +ATOM 85 CB PRO A 14 3.879 -3.888 0.596 1.00 92.39 C +ATOM 86 CG PRO A 14 4.620 -3.014 -0.355 1.00 91.62 C +ATOM 87 CD PRO A 14 3.555 -2.113 -0.934 1.00 92.73 C +HETATM 88 N HYP A 15 3.339 -2.977 3.612 1.00 89.38 N +HETATM 89 CA HYP A 15 3.914 -2.528 4.840 1.00 91.15 C +HETATM 90 C HYP A 15 5.403 -2.266 4.712 1.00 92.75 C +HETATM 91 O HYP A 15 6.074 -2.985 3.925 1.00 91.68 O +HETATM 92 CB HYP A 15 3.611 -3.670 5.802 1.00 90.19 C +HETATM 93 CG HYP A 15 2.362 -4.244 5.236 1.00 87.36 C +HETATM 94 CD HYP A 15 2.591 -4.159 3.787 1.00 91.30 C +HETATM 95 OD1 HYP A 15 1.243 -3.482 5.609 1.00 90.66 O +ATOM 96 N GLY A 16 5.900 -1.310 5.408 1.00 94.84 N +ATOM 97 CA GLY A 16 7.304 -1.028 5.386 1.00 94.29 C +ATOM 98 C GLY A 16 8.085 -2.162 6.035 1.00 94.53 C +ATOM 99 O GLY A 16 7.504 -3.044 6.670 1.00 94.75 O +ATOM 100 N PRO A 17 9.398 -2.144 5.881 1.00 94.42 N +ATOM 101 CA PRO A 17 10.222 -3.192 6.472 1.00 94.36 C +ATOM 102 C PRO A 17 10.278 -3.064 7.989 1.00 94.52 C +ATOM 103 O PRO A 17 9.975 -2.018 8.545 1.00 94.82 O +ATOM 104 CB PRO A 17 11.588 -2.967 5.835 1.00 92.72 C +ATOM 105 CG PRO A 17 11.606 -1.496 5.590 1.00 90.19 C +ATOM 106 CD PRO A 17 10.203 -1.173 5.144 1.00 91.65 C +HETATM 107 N HYP A 18 10.641 -4.115 8.670 1.00 92.55 N +HETATM 108 CA HYP A 18 10.884 -4.101 10.067 1.00 94.77 C +HETATM 109 C HYP A 18 11.870 -3.049 10.463 1.00 94.15 C +HETATM 110 O HYP A 18 12.815 -2.761 9.705 1.00 94.31 O +HETATM 111 CB HYP A 18 11.303 -5.505 10.369 1.00 92.08 C +HETATM 112 CG HYP A 18 10.679 -6.328 9.279 1.00 90.75 C +HETATM 113 CD HYP A 18 10.770 -5.411 8.105 1.00 92.20 C +HETATM 114 OD1 HYP A 18 9.328 -6.630 9.544 1.00 93.59 O +ATOM 115 N GLY A 19 11.688 -2.438 11.617 1.00 95.62 N +ATOM 116 CA GLY A 19 12.577 -1.426 12.102 1.00 95.46 C +ATOM 117 C GLY A 19 13.955 -2.009 12.393 1.00 95.62 C +ATOM 118 O GLY A 19 14.135 -3.229 12.383 1.00 95.36 O +ATOM 119 N PRO A 20 14.923 -1.155 12.664 1.00 93.71 N +ATOM 120 CA PRO A 20 16.269 -1.627 12.958 1.00 93.48 C +ATOM 121 C PRO A 20 16.333 -2.306 14.317 1.00 92.81 C +ATOM 122 O PRO A 20 15.457 -2.132 15.151 1.00 92.51 O +ATOM 123 CB PRO A 20 17.104 -0.346 12.915 1.00 91.63 C +ATOM 124 CG PRO A 20 16.135 0.693 13.361 1.00 88.93 C +ATOM 125 CD PRO A 20 14.832 0.304 12.707 1.00 91.17 C +HETATM 126 N HYP A 21 17.360 -3.102 14.558 1.00 93.76 N +HETATM 127 CA HYP A 21 17.587 -3.709 15.820 1.00 93.99 C +HETATM 128 C HYP A 21 17.724 -2.695 16.965 1.00 94.39 C +HETATM 129 O HYP A 21 18.240 -1.611 16.737 1.00 95.13 O +HETATM 130 CB HYP A 21 18.927 -4.454 15.612 1.00 92.03 C +HETATM 131 CG HYP A 21 18.967 -4.732 14.131 1.00 89.72 C +HETATM 132 CD HYP A 21 18.328 -3.520 13.577 1.00 92.44 C +HETATM 133 OD1 HYP A 21 18.183 -5.860 13.806 1.00 92.12 O +ATOM 134 N GLY A 22 17.183 -2.995 18.096 1.00 94.34 N +ATOM 135 CA GLY A 22 17.240 -2.109 19.226 1.00 93.68 C +ATOM 136 C GLY A 22 18.676 -1.933 19.685 1.00 93.70 C +ATOM 137 O GLY A 22 19.581 -2.634 19.233 1.00 92.88 O +ATOM 138 N PRO A 23 18.905 -1.017 20.623 1.00 94.93 N +ATOM 139 CA PRO A 23 20.258 -0.786 21.114 1.00 94.78 C +ATOM 140 C PRO A 23 20.728 -1.961 21.953 1.00 94.14 C +ATOM 141 O PRO A 23 19.927 -2.736 22.470 1.00 92.41 O +ATOM 142 CB PRO A 23 20.118 0.495 21.935 1.00 92.30 C +ATOM 143 CG PRO A 23 18.710 0.450 22.397 1.00 89.81 C +ATOM 144 CD PRO A 23 17.941 -0.116 21.240 1.00 92.49 C +HETATM 145 N HYP A 24 22.016 -2.124 22.158 1.00 93.09 N +HETATM 146 CA HYP A 24 22.528 -3.186 22.928 1.00 92.11 C +HETATM 147 C HYP A 24 21.990 -3.181 24.307 1.00 90.56 C +HETATM 148 O HYP A 24 21.852 -2.067 24.840 1.00 90.60 O +HETATM 149 CB HYP A 24 24.068 -3.005 22.938 1.00 92.21 C +HETATM 150 CG HYP A 24 24.320 -2.162 21.767 1.00 91.22 C +HETATM 151 CD HYP A 24 23.071 -1.305 21.651 1.00 91.90 C +HETATM 152 OD1 HYP A 24 24.436 -2.974 20.613 1.00 88.87 O +HETATM 153 OXT HYP A 24 21.782 -4.261 24.903 1.00 88.39 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_293.txt b/protein_pdb_293.txt new file mode 100644 index 0000000000000000000000000000000000000000..1e94bcd7681c7d3461a28d8126f43e07ae8d7181 --- /dev/null +++ b/protein_pdb_293.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 5.111 12.940 5.180 1.00 83.74 N +ATOM 2 CA GLY A 1 5.559 11.679 5.744 1.00 86.50 C +ATOM 3 C GLY A 1 5.944 10.702 4.664 1.00 88.00 C +ATOM 4 O GLY A 1 5.817 11.000 3.480 1.00 85.14 O +ATOM 5 N PRO A 2 6.393 9.523 5.045 1.00 84.81 N +ATOM 6 CA PRO A 2 6.808 8.519 4.072 1.00 86.87 C +ATOM 7 C PRO A 2 5.628 7.911 3.345 1.00 86.31 C +ATOM 8 O PRO A 2 4.487 8.035 3.770 1.00 84.11 O +ATOM 9 CB PRO A 2 7.528 7.480 4.924 1.00 83.49 C +ATOM 10 CG PRO A 2 6.859 7.591 6.248 1.00 79.14 C +ATOM 11 CD PRO A 2 6.563 9.049 6.419 1.00 80.73 C +HETATM 12 N HYP A 3 5.943 7.307 2.263 1.00 86.07 N +HETATM 13 CA HYP A 3 4.913 6.566 1.527 1.00 85.75 C +HETATM 14 C HYP A 3 4.271 5.531 2.384 1.00 86.67 C +HETATM 15 O HYP A 3 4.935 4.960 3.279 1.00 89.45 O +HETATM 16 CB HYP A 3 5.735 5.885 0.400 1.00 86.24 C +HETATM 17 CG HYP A 3 6.930 6.788 0.196 1.00 81.06 C +HETATM 18 CD HYP A 3 7.242 7.238 1.634 1.00 84.70 C +HETATM 19 OD1 HYP A 3 6.528 7.900 -0.560 1.00 86.66 O +ATOM 20 N GLY A 4 3.002 5.322 2.147 1.00 91.04 N +ATOM 21 CA GLY A 4 2.287 4.310 2.867 1.00 90.85 C +ATOM 22 C GLY A 4 2.765 2.926 2.470 1.00 91.92 C +ATOM 23 O GLY A 4 3.511 2.759 1.505 1.00 92.00 O +ATOM 24 N PRO A 5 2.351 1.928 3.222 1.00 90.91 N +ATOM 25 CA PRO A 5 2.757 0.566 2.909 1.00 91.87 C +ATOM 26 C PRO A 5 2.060 0.062 1.657 1.00 91.40 C +ATOM 27 O PRO A 5 1.061 0.616 1.222 1.00 89.88 O +ATOM 28 CB PRO A 5 2.324 -0.215 4.143 1.00 90.22 C +ATOM 29 CG PRO A 5 1.145 0.542 4.641 1.00 87.55 C +ATOM 30 CD PRO A 5 1.461 1.988 4.383 1.00 89.64 C +HETATM 31 N HYP A 6 2.634 -0.978 1.090 1.00 91.47 N +HETATM 32 CA HYP A 6 1.984 -1.629 -0.024 1.00 92.95 C +HETATM 33 C HYP A 6 0.612 -2.095 0.336 1.00 92.39 C +HETATM 34 O HYP A 6 0.347 -2.446 1.509 1.00 92.16 O +HETATM 35 CB HYP A 6 2.943 -2.822 -0.281 1.00 89.00 C +HETATM 36 CG HYP A 6 4.283 -2.355 0.208 1.00 87.77 C +HETATM 37 CD HYP A 6 3.903 -1.550 1.436 1.00 90.55 C +HETATM 38 OD1 HYP A 6 4.869 -1.518 -0.745 1.00 88.85 O +ATOM 39 N GLY A 7 -0.274 -2.045 -0.609 1.00 92.61 N +ATOM 40 CA GLY A 7 -1.611 -2.517 -0.400 1.00 92.16 C +ATOM 41 C GLY A 7 -1.620 -4.013 -0.168 1.00 93.00 C +ATOM 42 O GLY A 7 -0.615 -4.696 -0.357 1.00 93.00 O +ATOM 43 N PRO A 8 -2.750 -4.515 0.262 1.00 92.50 N +ATOM 44 CA PRO A 8 -2.841 -5.947 0.518 1.00 92.76 C +ATOM 45 C PRO A 8 -2.821 -6.745 -0.776 1.00 92.61 C +ATOM 46 O PRO A 8 -3.097 -6.229 -1.846 1.00 90.35 O +ATOM 47 CB PRO A 8 -4.172 -6.093 1.246 1.00 90.37 C +ATOM 48 CG PRO A 8 -4.980 -4.962 0.732 1.00 88.77 C +ATOM 49 CD PRO A 8 -4.006 -3.827 0.536 1.00 90.96 C +HETATM 50 N HYP A 9 -2.492 -8.020 -0.638 1.00 90.08 N +HETATM 51 CA HYP A 9 -2.519 -8.877 -1.763 1.00 89.49 C +HETATM 52 C HYP A 9 -3.908 -9.043 -2.291 1.00 91.79 C +HETATM 53 O HYP A 9 -4.880 -8.988 -1.535 1.00 90.26 O +HETATM 54 CB HYP A 9 -2.054 -10.243 -1.184 1.00 86.52 C +HETATM 55 CG HYP A 9 -1.295 -9.918 0.033 1.00 85.34 C +HETATM 56 CD HYP A 9 -1.960 -8.686 0.575 1.00 88.08 C +HETATM 57 OD1 HYP A 9 0.021 -9.594 -0.336 1.00 85.73 O +ATOM 58 N GLY A 10 -4.068 -9.172 -3.583 1.00 91.88 N +ATOM 59 CA GLY A 10 -5.344 -9.523 -4.145 1.00 90.15 C +ATOM 60 C GLY A 10 -5.623 -10.978 -3.849 1.00 90.84 C +ATOM 61 O GLY A 10 -4.957 -11.603 -3.018 1.00 89.22 O +ATOM 62 N GLU A 11 -6.603 -11.532 -4.530 1.00 87.56 N +ATOM 63 CA GLU A 11 -6.872 -12.949 -4.304 1.00 90.63 C +ATOM 64 C GLU A 11 -5.660 -13.806 -4.640 1.00 90.77 C +ATOM 65 O GLU A 11 -5.468 -14.863 -4.040 1.00 87.48 O +ATOM 66 CB GLU A 11 -8.081 -13.402 -5.119 1.00 87.81 C +ATOM 67 CG GLU A 11 -9.388 -12.986 -4.487 1.00 80.84 C +ATOM 68 CD GLU A 11 -10.591 -13.676 -5.098 1.00 74.44 C +ATOM 69 OE1 GLU A 11 -10.441 -14.302 -6.157 1.00 69.37 O +ATOM 70 OE2 GLU A 11 -11.678 -13.584 -4.512 1.00 71.31 O +ATOM 71 N SER A 12 -4.841 -13.346 -5.578 1.00 92.37 N +ATOM 72 CA SER A 12 -3.635 -14.076 -5.935 1.00 93.60 C +ATOM 73 C SER A 12 -2.475 -13.161 -6.315 1.00 93.75 C +ATOM 74 O SER A 12 -1.319 -13.558 -6.178 1.00 89.14 O +ATOM 75 CB SER A 12 -3.921 -15.046 -7.090 1.00 89.92 C +ATOM 76 OG SER A 12 -4.365 -14.345 -8.228 1.00 83.49 O +ATOM 77 N GLY A 13 -2.761 -11.982 -6.789 1.00 94.12 N +ATOM 78 CA GLY A 13 -1.733 -11.080 -7.267 1.00 93.30 C +ATOM 79 C GLY A 13 -0.866 -10.473 -6.185 1.00 94.18 C +ATOM 80 O GLY A 13 -1.026 -10.750 -4.993 1.00 93.79 O +ATOM 81 N PRO A 14 0.073 -9.641 -6.599 1.00 92.83 N +ATOM 82 CA PRO A 14 1.004 -9.007 -5.675 1.00 93.07 C +ATOM 83 C PRO A 14 0.339 -7.930 -4.842 1.00 93.12 C +ATOM 84 O PRO A 14 -0.777 -7.515 -5.117 1.00 91.66 O +ATOM 85 CB PRO A 14 2.064 -8.422 -6.598 1.00 91.08 C +ATOM 86 CG PRO A 14 1.318 -8.101 -7.843 1.00 89.56 C +ATOM 87 CD PRO A 14 0.312 -9.216 -7.985 1.00 91.25 C +HETATM 88 N HYP A 15 1.079 -7.505 -3.866 1.00 93.48 N +HETATM 89 CA HYP A 15 0.618 -6.410 -3.060 1.00 93.35 C +HETATM 90 C HYP A 15 0.405 -5.188 -3.902 1.00 93.75 C +HETATM 91 O HYP A 15 1.061 -5.008 -4.944 1.00 93.27 O +HETATM 92 CB HYP A 15 1.819 -6.228 -2.118 1.00 90.23 C +HETATM 93 CG HYP A 15 2.460 -7.602 -2.022 1.00 87.77 C +HETATM 94 CD HYP A 15 2.313 -8.127 -3.429 1.00 91.78 C +HETATM 95 OD1 HYP A 15 1.749 -8.402 -1.133 1.00 88.63 O +ATOM 96 N GLY A 16 -0.536 -4.386 -3.494 1.00 94.24 N +ATOM 97 CA GLY A 16 -0.794 -3.153 -4.180 1.00 94.39 C +ATOM 98 C GLY A 16 0.370 -2.196 -4.031 1.00 94.93 C +ATOM 99 O GLY A 16 1.324 -2.462 -3.296 1.00 94.57 O +ATOM 100 N PRO A 17 0.299 -1.075 -4.740 1.00 93.02 N +ATOM 101 CA PRO A 17 1.373 -0.096 -4.670 1.00 93.16 C +ATOM 102 C PRO A 17 1.412 0.598 -3.321 1.00 93.62 C +ATOM 103 O PRO A 17 0.447 0.583 -2.570 1.00 92.23 O +ATOM 104 CB PRO A 17 1.032 0.873 -5.794 1.00 91.47 C +ATOM 105 CG PRO A 17 -0.445 0.788 -5.900 1.00 89.92 C +ATOM 106 CD PRO A 17 -0.782 -0.649 -5.626 1.00 91.66 C +HETATM 107 N HYP A 18 2.547 1.195 -3.019 1.00 90.05 N +HETATM 108 CA HYP A 18 2.669 1.975 -1.849 1.00 91.37 C +HETATM 109 C HYP A 18 1.687 3.110 -1.821 1.00 91.35 C +HETATM 110 O HYP A 18 1.313 3.637 -2.881 1.00 90.86 O +HETATM 111 CB HYP A 18 4.095 2.541 -1.961 1.00 87.49 C +HETATM 112 CG HYP A 18 4.839 1.531 -2.794 1.00 87.30 C +HETATM 113 CD HYP A 18 3.763 1.083 -3.775 1.00 90.58 C +HETATM 114 OD1 HYP A 18 5.221 0.447 -1.970 1.00 88.10 O +ATOM 115 N GLY A 19 1.234 3.435 -0.656 1.00 89.82 N +ATOM 116 CA GLY A 19 0.349 4.551 -0.504 1.00 89.86 C +ATOM 117 C GLY A 19 1.078 5.847 -0.799 1.00 90.52 C +ATOM 118 O GLY A 19 2.297 5.876 -0.949 1.00 90.93 O +ATOM 119 N PRO A 20 0.330 6.930 -0.885 1.00 83.31 N +ATOM 120 CA PRO A 20 0.938 8.219 -1.162 1.00 84.38 C +ATOM 121 C PRO A 20 1.727 8.726 0.031 1.00 83.61 C +ATOM 122 O PRO A 20 1.560 8.260 1.153 1.00 84.76 O +ATOM 123 CB PRO A 20 -0.266 9.108 -1.447 1.00 81.90 C +ATOM 124 CG PRO A 20 -1.354 8.508 -0.643 1.00 78.00 C +ATOM 125 CD PRO A 20 -1.120 7.023 -0.708 1.00 79.69 C +HETATM 126 N HYP A 21 2.605 9.687 -0.244 1.00 87.36 N +HETATM 127 CA HYP A 21 3.309 10.308 0.816 1.00 87.49 C +HETATM 128 C HYP A 21 2.408 10.992 1.813 1.00 87.99 C +HETATM 129 O HYP A 21 1.324 11.428 1.424 1.00 90.92 O +HETATM 130 CB HYP A 21 4.172 11.360 0.114 1.00 85.91 C +HETATM 131 CG HYP A 21 4.374 10.809 -1.277 1.00 80.92 C +HETATM 132 CD HYP A 21 3.061 10.123 -1.563 1.00 86.50 C +HETATM 133 OD1 HYP A 21 5.401 9.828 -1.222 1.00 83.89 O +ATOM 134 N GLY A 22 2.787 10.972 3.030 1.00 87.54 N +ATOM 135 CA GLY A 22 2.026 11.650 4.039 1.00 85.68 C +ATOM 136 C GLY A 22 2.108 13.155 3.836 1.00 85.30 C +ATOM 137 O GLY A 22 2.791 13.641 2.935 1.00 85.12 O +ATOM 138 N PRO A 23 1.436 13.915 4.688 1.00 91.63 N +ATOM 139 CA PRO A 23 1.482 15.367 4.562 1.00 91.58 C +ATOM 140 C PRO A 23 2.881 15.891 4.819 1.00 89.84 C +ATOM 141 O PRO A 23 3.719 15.218 5.409 1.00 86.03 O +ATOM 142 CB PRO A 23 0.491 15.847 5.615 1.00 88.25 C +ATOM 143 CG PRO A 23 0.425 14.740 6.590 1.00 85.77 C +ATOM 144 CD PRO A 23 0.627 13.478 5.812 1.00 88.56 C +HETATM 145 N HYP A 24 3.180 17.037 4.434 1.00 91.19 N +HETATM 146 CA HYP A 24 4.528 17.536 4.503 1.00 84.21 C +HETATM 147 C HYP A 24 5.346 16.998 5.568 1.00 88.36 C +HETATM 148 O HYP A 24 5.787 17.704 6.489 1.00 82.15 O +HETATM 149 CB HYP A 24 4.422 19.018 4.408 1.00 84.62 C +HETATM 150 CG HYP A 24 2.996 19.333 4.037 1.00 83.92 C +HETATM 151 CD HYP A 24 2.213 18.065 4.358 1.00 88.89 C +HETATM 152 OD1 HYP A 24 2.913 19.528 2.626 1.00 83.81 O +HETATM 153 OXT HYP A 24 5.655 15.820 5.470 1.00 82.11 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_294.txt b/protein_pdb_294.txt new file mode 100644 index 0000000000000000000000000000000000000000..251ebd93747d2e2ad425bf2ee9f8b06345a47a08 --- /dev/null +++ b/protein_pdb_294.txt @@ -0,0 +1,116 @@ +ATOM 1 N GLY A 1 -3.102 1.765 -27.880 1.00 91.52 N +ATOM 2 CA GLY A 1 -2.263 0.627 -27.536 1.00 92.13 C +ATOM 3 C GLY A 1 -2.770 -0.073 -26.303 1.00 92.82 C +ATOM 4 O GLY A 1 -3.709 0.389 -25.655 1.00 91.79 O +ATOM 5 N PRO A 2 -2.188 -1.189 -25.987 1.00 90.13 N +ATOM 6 CA PRO A 2 -2.622 -1.931 -24.804 1.00 91.98 C +ATOM 7 C PRO A 2 -2.294 -1.180 -23.518 1.00 91.92 C +ATOM 8 O PRO A 2 -1.400 -0.345 -23.481 1.00 90.80 O +ATOM 9 CB PRO A 2 -1.848 -3.242 -24.899 1.00 90.26 C +ATOM 10 CG PRO A 2 -0.638 -2.898 -25.691 1.00 86.52 C +ATOM 11 CD PRO A 2 -1.079 -1.848 -26.680 1.00 87.92 C +HETATM 12 N HYP A 3 -3.075 -1.470 -22.579 1.00 93.99 N +HETATM 13 CA HYP A 3 -2.766 -0.902 -21.191 1.00 95.25 C +HETATM 14 C HYP A 3 -1.374 -1.232 -20.731 1.00 93.48 C +HETATM 15 O HYP A 3 -0.842 -2.327 -21.036 1.00 94.47 O +HETATM 16 CB HYP A 3 -3.820 -1.660 -20.383 1.00 92.53 C +HETATM 17 CG HYP A 3 -4.930 -2.049 -21.323 1.00 88.10 C +HETATM 18 CD HYP A 3 -4.185 -2.370 -22.635 1.00 93.53 C +HETATM 19 OD1 HYP A 3 -5.784 -0.975 -21.554 1.00 92.48 O +ATOM 20 N GLY A 4 -0.781 -0.300 -19.959 1.00 94.80 N +ATOM 21 CA GLY A 4 0.514 -0.547 -19.373 1.00 94.39 C +ATOM 22 C GLY A 4 0.417 -1.562 -18.244 1.00 94.83 C +ATOM 23 O GLY A 4 -0.676 -1.965 -17.843 1.00 94.53 O +ATOM 24 N PRO A 5 1.554 -2.001 -17.744 1.00 94.14 N +ATOM 25 CA PRO A 5 1.567 -2.976 -16.658 1.00 94.19 C +ATOM 26 C PRO A 5 1.074 -2.370 -15.355 1.00 94.14 C +ATOM 27 O PRO A 5 1.096 -1.157 -15.171 1.00 92.77 O +ATOM 28 CB PRO A 5 3.036 -3.391 -16.564 1.00 92.69 C +ATOM 29 CG PRO A 5 3.761 -2.180 -17.028 1.00 90.14 C +ATOM 30 CD PRO A 5 2.906 -1.597 -18.127 1.00 92.83 C +HETATM 31 N HYP A 6 0.618 -3.195 -14.457 1.00 94.37 N +HETATM 32 CA HYP A 6 0.272 -2.746 -13.121 1.00 95.48 C +HETATM 33 C HYP A 6 1.413 -2.107 -12.376 1.00 95.27 C +HETATM 34 O HYP A 6 2.567 -2.542 -12.508 1.00 95.30 O +HETATM 35 CB HYP A 6 -0.122 -4.095 -12.405 1.00 94.03 C +HETATM 36 CG HYP A 6 -0.551 -4.993 -13.520 1.00 92.71 C +HETATM 37 CD HYP A 6 0.356 -4.590 -14.635 1.00 94.23 C +HETATM 38 OD1 HYP A 6 -1.880 -4.737 -13.880 1.00 92.50 O +ATOM 39 N GLY A 7 1.063 -1.085 -11.580 1.00 95.33 N +ATOM 40 CA GLY A 7 2.047 -0.426 -10.761 1.00 94.47 C +ATOM 41 C GLY A 7 2.528 -1.331 -9.637 1.00 95.14 C +ATOM 42 O GLY A 7 2.037 -2.455 -9.462 1.00 94.81 O +ATOM 43 N PRO A 8 3.480 -0.853 -8.859 1.00 95.69 N +ATOM 44 CA PRO A 8 3.994 -1.648 -7.748 1.00 95.66 C +ATOM 45 C PRO A 8 2.977 -1.750 -6.621 1.00 95.84 C +ATOM 46 O PRO A 8 2.007 -0.987 -6.575 1.00 94.57 O +ATOM 47 CB PRO A 8 5.240 -0.873 -7.312 1.00 94.22 C +ATOM 48 CG PRO A 8 4.901 0.533 -7.658 1.00 93.07 C +ATOM 49 CD PRO A 8 4.131 0.452 -8.949 1.00 94.77 C +ATOM 50 N PRO A 9 3.186 -2.683 -5.705 1.00 95.16 N +ATOM 51 CA PRO A 9 2.286 -2.781 -4.561 1.00 95.09 C +ATOM 52 C PRO A 9 2.279 -1.487 -3.763 1.00 95.28 C +ATOM 53 O PRO A 9 3.239 -0.708 -3.797 1.00 92.97 O +ATOM 54 CB PRO A 9 2.864 -3.931 -3.730 1.00 93.14 C +ATOM 55 CG PRO A 9 3.642 -4.741 -4.712 1.00 91.41 C +ATOM 56 CD PRO A 9 4.205 -3.735 -5.682 1.00 93.06 C +ATOM 57 N GLY A 10 1.184 -1.264 -3.069 1.00 95.37 N +ATOM 58 CA GLY A 10 1.084 -0.102 -2.214 1.00 94.79 C +ATOM 59 C GLY A 10 1.999 -0.193 -1.009 1.00 95.17 C +ATOM 60 O GLY A 10 2.688 -1.203 -0.809 1.00 94.54 O +ATOM 61 N PRO A 11 2.014 0.854 -0.182 1.00 95.64 N +ATOM 62 CA PRO A 11 2.898 0.874 0.981 1.00 95.59 C +ATOM 63 C PRO A 11 2.471 -0.143 2.032 1.00 95.33 C +ATOM 64 O PRO A 11 1.326 -0.580 2.066 1.00 93.77 O +ATOM 65 CB PRO A 11 2.765 2.301 1.504 1.00 94.67 C +ATOM 66 CG PRO A 11 1.403 2.713 1.061 1.00 93.61 C +ATOM 67 CD PRO A 11 1.219 2.072 -0.279 1.00 94.78 C +HETATM 68 N HYP A 12 3.392 -0.497 2.896 1.00 94.29 N +HETATM 69 CA HYP A 12 3.120 -1.358 3.989 1.00 93.65 C +HETATM 70 C HYP A 12 2.030 -0.797 4.912 1.00 95.47 C +HETATM 71 O HYP A 12 1.945 0.433 5.109 1.00 92.10 O +HETATM 72 CB HYP A 12 4.478 -1.374 4.689 1.00 93.16 C +HETATM 73 CG HYP A 12 5.453 -1.104 3.630 1.00 92.98 C +HETATM 74 CD HYP A 12 4.760 -0.135 2.772 1.00 94.13 C +HETATM 75 OD1 HYP A 12 5.748 -2.273 2.902 1.00 92.52 O +ATOM 76 N GLY A 13 1.240 -1.686 5.475 1.00 93.63 N +ATOM 77 CA GLY A 13 0.241 -1.298 6.434 1.00 93.48 C +ATOM 78 C GLY A 13 0.886 -0.801 7.718 1.00 93.81 C +ATOM 79 O GLY A 13 2.107 -0.897 7.900 1.00 93.25 O +ATOM 80 N PRO A 14 0.068 -0.286 8.628 1.00 92.83 N +ATOM 81 CA PRO A 14 0.607 0.218 9.883 1.00 93.19 C +ATOM 82 C PRO A 14 1.097 -0.921 10.771 1.00 93.33 C +ATOM 83 O PRO A 14 0.692 -2.062 10.616 1.00 92.13 O +ATOM 84 CB PRO A 14 -0.593 0.942 10.509 1.00 91.30 C +ATOM 85 CG PRO A 14 -1.769 0.221 9.945 1.00 88.93 C +ATOM 86 CD PRO A 14 -1.378 -0.132 8.533 1.00 90.16 C +HETATM 87 N HYP A 15 1.961 -0.579 11.709 1.00 91.65 N +HETATM 88 CA HYP A 15 2.400 -1.586 12.689 1.00 93.17 C +HETATM 89 C HYP A 15 1.271 -2.155 13.530 1.00 95.07 C +HETATM 90 O HYP A 15 0.331 -1.433 13.852 1.00 92.67 O +HETATM 91 CB HYP A 15 3.373 -0.758 13.537 1.00 93.97 C +HETATM 92 CG HYP A 15 3.884 0.340 12.616 1.00 93.31 C +HETATM 93 CD HYP A 15 2.680 0.665 11.775 1.00 93.30 C +HETATM 94 OD1 HYP A 15 4.892 -0.157 11.770 1.00 92.37 O +ATOM 95 N GLY A 16 1.343 -3.446 13.820 1.00 91.63 N +ATOM 96 CA GLY A 16 0.373 -4.105 14.637 1.00 91.99 C +ATOM 97 C GLY A 16 0.444 -3.612 16.077 1.00 92.63 C +ATOM 98 O GLY A 16 1.353 -2.866 16.452 1.00 92.10 O +ATOM 99 N PRO A 17 -0.508 -4.045 16.898 1.00 91.32 N +ATOM 100 CA PRO A 17 -0.513 -3.628 18.294 1.00 91.76 C +ATOM 101 C PRO A 17 0.611 -4.299 19.063 1.00 91.43 C +ATOM 102 O PRO A 17 1.148 -5.328 18.640 1.00 88.92 O +ATOM 103 CB PRO A 17 -1.882 -4.084 18.785 1.00 89.36 C +ATOM 104 CG PRO A 17 -2.188 -5.261 17.932 1.00 87.36 C +ATOM 105 CD PRO A 17 -1.619 -4.925 16.576 1.00 89.32 C +HETATM 106 N HYP A 18 0.974 -3.724 20.180 1.00 91.65 N +HETATM 107 CA HYP A 18 1.974 -4.465 20.984 1.00 92.32 C +HETATM 108 C HYP A 18 1.346 -5.784 21.306 1.00 93.37 C +HETATM 109 O HYP A 18 1.993 -6.739 21.017 1.00 90.01 O +HETATM 110 CB HYP A 18 2.093 -3.644 22.286 1.00 91.70 C +HETATM 111 CG HYP A 18 1.626 -2.258 21.936 1.00 89.16 C +HETATM 112 CD HYP A 18 0.596 -2.470 20.814 1.00 92.45 C +HETATM 113 OD1 HYP A 18 2.705 -1.547 21.380 1.00 85.37 O +HETATM 114 OXT HYP A 18 0.224 -5.803 21.872 1.00 84.02 O +TER 115 HYP A 18 +END diff --git a/protein_pdb_295.txt b/protein_pdb_295.txt new file mode 100644 index 0000000000000000000000000000000000000000..260aacea703e1fa5ea736f14e688f2e5159c544e --- /dev/null +++ b/protein_pdb_295.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 5.357 -9.296 -10.116 1.00 87.90 N +ATOM 2 CA GLY A 1 5.304 -7.912 -10.566 1.00 90.03 C +ATOM 3 C GLY A 1 5.834 -6.980 -9.507 1.00 91.02 C +ATOM 4 O GLY A 1 6.225 -7.425 -8.426 1.00 88.88 O +ATOM 5 N PRO A 2 5.847 -5.691 -9.780 1.00 88.82 N +ATOM 6 CA PRO A 2 6.357 -4.719 -8.819 1.00 90.58 C +ATOM 7 C PRO A 2 5.455 -4.588 -7.608 1.00 90.74 C +ATOM 8 O PRO A 2 4.294 -4.975 -7.630 1.00 89.46 O +ATOM 9 CB PRO A 2 6.417 -3.429 -9.624 1.00 87.76 C +ATOM 10 CG PRO A 2 5.342 -3.589 -10.634 1.00 83.78 C +ATOM 11 CD PRO A 2 5.404 -5.045 -11.016 1.00 86.07 C +HETATM 12 N HYP A 3 6.004 -4.074 -6.578 1.00 90.26 N +HETATM 13 CA HYP A 3 5.219 -3.785 -5.368 1.00 88.45 C +HETATM 14 C HYP A 3 4.078 -2.839 -5.665 1.00 90.38 C +HETATM 15 O HYP A 3 4.190 -2.000 -6.587 1.00 93.09 O +HETATM 16 CB HYP A 3 6.269 -3.092 -4.463 1.00 88.43 C +HETATM 17 CG HYP A 3 7.587 -3.698 -4.908 1.00 86.30 C +HETATM 18 CD HYP A 3 7.405 -3.772 -6.447 1.00 88.57 C +HETATM 19 OD1 HYP A 3 7.701 -4.995 -4.397 1.00 89.33 O +ATOM 20 N GLY A 4 3.000 -3.040 -4.963 1.00 92.62 N +ATOM 21 CA GLY A 4 1.858 -2.199 -5.149 1.00 92.49 C +ATOM 22 C GLY A 4 2.135 -0.791 -4.670 1.00 92.91 C +ATOM 23 O GLY A 4 3.169 -0.516 -4.057 1.00 93.72 O +ATOM 24 N PRO A 5 1.214 0.127 -4.946 1.00 92.42 N +ATOM 25 CA PRO A 5 1.388 1.510 -4.530 1.00 92.68 C +ATOM 26 C PRO A 5 1.207 1.669 -3.030 1.00 92.43 C +ATOM 27 O PRO A 5 0.675 0.793 -2.358 1.00 92.02 O +ATOM 28 CB PRO A 5 0.306 2.245 -5.308 1.00 91.21 C +ATOM 29 CG PRO A 5 -0.767 1.221 -5.446 1.00 89.21 C +ATOM 30 CD PRO A 5 -0.035 -0.067 -5.677 1.00 91.92 C +HETATM 31 N HYP A 6 1.672 2.807 -2.516 1.00 91.58 N +HETATM 32 CA HYP A 6 1.476 3.093 -1.117 1.00 95.15 C +HETATM 33 C HYP A 6 0.017 3.135 -0.746 1.00 93.38 C +HETATM 34 O HYP A 6 -0.826 3.526 -1.586 1.00 93.76 O +HETATM 35 CB HYP A 6 2.099 4.514 -1.001 1.00 89.67 C +HETATM 36 CG HYP A 6 3.132 4.536 -2.090 1.00 88.10 C +HETATM 37 CD HYP A 6 2.431 3.799 -3.237 1.00 90.67 C +HETATM 38 OD1 HYP A 6 4.265 3.794 -1.689 1.00 89.71 O +ATOM 39 N GLY A 7 -0.274 2.696 0.434 1.00 93.61 N +ATOM 40 CA GLY A 7 -1.633 2.707 0.903 1.00 93.16 C +ATOM 41 C GLY A 7 -2.129 4.121 1.092 1.00 93.73 C +ATOM 42 O GLY A 7 -1.375 5.089 0.961 1.00 93.82 O +ATOM 43 N PRO A 8 -3.410 4.261 1.396 1.00 93.31 N +ATOM 44 CA PRO A 8 -3.979 5.585 1.594 1.00 93.15 C +ATOM 45 C PRO A 8 -3.505 6.211 2.895 1.00 93.31 C +ATOM 46 O PRO A 8 -3.053 5.525 3.804 1.00 92.35 O +ATOM 47 CB PRO A 8 -5.479 5.323 1.618 1.00 91.39 C +ATOM 48 CG PRO A 8 -5.570 3.945 2.184 1.00 89.91 C +ATOM 49 CD PRO A 8 -4.400 3.208 1.575 1.00 91.83 C +HETATM 50 N HYP A 9 -3.606 7.522 2.980 1.00 91.75 N +HETATM 51 CA HYP A 9 -3.281 8.205 4.177 1.00 93.97 C +HETATM 52 C HYP A 9 -4.212 7.808 5.291 1.00 91.97 C +HETATM 53 O HYP A 9 -5.383 7.448 5.041 1.00 92.88 O +HETATM 54 CB HYP A 9 -3.511 9.692 3.842 1.00 89.83 C +HETATM 55 CG HYP A 9 -3.344 9.756 2.373 1.00 88.43 C +HETATM 56 CD HYP A 9 -3.915 8.465 1.886 1.00 91.45 C +HETATM 57 OD1 HYP A 9 -1.979 9.797 2.060 1.00 87.51 O +ATOM 58 N GLY A 10 -3.758 7.828 6.475 1.00 92.81 N +ATOM 59 CA GLY A 10 -4.638 7.619 7.596 1.00 90.47 C +ATOM 60 C GLY A 10 -5.491 8.863 7.761 1.00 90.67 C +ATOM 61 O GLY A 10 -5.601 9.686 6.856 1.00 90.09 O +ATOM 62 N HIS A 11 -6.070 9.015 8.917 1.00 94.15 N +ATOM 63 CA HIS A 11 -6.831 10.229 9.191 1.00 95.34 C +ATOM 64 C HIS A 11 -5.815 11.331 9.483 1.00 95.43 C +ATOM 65 O HIS A 11 -5.407 11.534 10.620 1.00 93.57 O +ATOM 66 CB HIS A 11 -7.749 10.007 10.389 1.00 94.23 C +ATOM 67 CG HIS A 11 -8.757 8.919 10.177 1.00 90.63 C +ATOM 68 ND1 HIS A 11 -10.037 9.146 9.715 1.00 85.63 N +ATOM 69 CD2 HIS A 11 -8.652 7.582 10.359 1.00 83.18 C +ATOM 70 CE1 HIS A 11 -10.671 7.981 9.629 1.00 84.43 C +ATOM 71 NE2 HIS A 11 -9.865 7.024 10.011 1.00 85.29 N +ATOM 72 N GLN A 12 -5.389 12.010 8.419 1.00 93.76 N +ATOM 73 CA GLN A 12 -4.330 13.017 8.496 1.00 94.43 C +ATOM 74 C GLN A 12 -2.999 12.358 8.845 1.00 94.64 C +ATOM 75 O GLN A 12 -2.202 12.898 9.606 1.00 90.81 O +ATOM 76 CB GLN A 12 -4.662 14.104 9.525 1.00 92.54 C +ATOM 77 CG GLN A 12 -5.964 14.833 9.249 1.00 87.23 C +ATOM 78 CD GLN A 12 -5.866 15.739 8.038 1.00 80.97 C +ATOM 79 OE1 GLN A 12 -6.419 15.435 6.985 1.00 74.72 O +ATOM 80 NE2 GLN A 12 -5.164 16.839 8.179 1.00 73.36 N +ATOM 81 N GLY A 13 -2.755 11.180 8.278 1.00 95.78 N +ATOM 82 CA GLY A 13 -1.537 10.447 8.537 1.00 95.19 C +ATOM 83 C GLY A 13 -0.810 10.103 7.257 1.00 95.33 C +ATOM 84 O GLY A 13 -1.295 10.387 6.164 1.00 95.16 O +ATOM 85 N PRO A 14 0.367 9.495 7.369 1.00 93.84 N +ATOM 86 CA PRO A 14 1.154 9.148 6.200 1.00 93.38 C +ATOM 87 C PRO A 14 0.524 8.006 5.417 1.00 93.40 C +ATOM 88 O PRO A 14 -0.314 7.271 5.923 1.00 92.27 O +ATOM 89 CB PRO A 14 2.504 8.748 6.779 1.00 91.94 C +ATOM 90 CG PRO A 14 2.162 8.211 8.122 1.00 90.98 C +ATOM 91 CD PRO A 14 1.051 9.105 8.608 1.00 92.28 C +HETATM 92 N HYP A 15 0.975 7.907 4.194 1.00 93.38 N +HETATM 93 CA HYP A 15 0.549 6.772 3.372 1.00 93.67 C +HETATM 94 C HYP A 15 0.932 5.460 3.960 1.00 94.58 C +HETATM 95 O HYP A 15 1.951 5.392 4.690 1.00 94.65 O +HETATM 96 CB HYP A 15 1.294 7.055 2.046 1.00 90.16 C +HETATM 97 CG HYP A 15 1.486 8.552 2.036 1.00 89.42 C +HETATM 98 CD HYP A 15 1.773 8.866 3.490 1.00 92.48 C +HETATM 99 OD1 HYP A 15 0.315 9.185 1.617 1.00 91.03 O +ATOM 100 N GLY A 16 0.147 4.460 3.693 1.00 94.71 N +ATOM 101 CA GLY A 16 0.456 3.140 4.154 1.00 94.37 C +ATOM 102 C GLY A 16 1.634 2.567 3.391 1.00 94.80 C +ATOM 103 O GLY A 16 2.152 3.193 2.462 1.00 94.75 O +ATOM 104 N PRO A 17 2.071 1.374 3.777 1.00 94.21 N +ATOM 105 CA PRO A 17 3.202 0.747 3.112 1.00 93.78 C +ATOM 106 C PRO A 17 2.835 0.282 1.709 1.00 94.11 C +ATOM 107 O PRO A 17 1.665 0.131 1.377 1.00 93.20 O +ATOM 108 CB PRO A 17 3.551 -0.420 4.026 1.00 92.52 C +ATOM 109 CG PRO A 17 2.245 -0.768 4.649 1.00 91.28 C +ATOM 110 CD PRO A 17 1.558 0.548 4.864 1.00 92.98 C +HETATM 111 N HYP A 18 3.849 0.056 0.882 1.00 90.57 N +HETATM 112 CA HYP A 18 3.630 -0.490 -0.413 1.00 91.35 C +HETATM 113 C HYP A 18 2.947 -1.818 -0.371 1.00 91.88 C +HETATM 114 O HYP A 18 3.147 -2.589 0.603 1.00 91.72 O +HETATM 115 CB HYP A 18 5.046 -0.634 -0.976 1.00 88.23 C +HETATM 116 CG HYP A 18 5.821 0.434 -0.250 1.00 88.76 C +HETATM 117 CD HYP A 18 5.217 0.387 1.146 1.00 91.55 C +HETATM 118 OD1 HYP A 18 5.554 1.709 -0.830 1.00 89.48 O +ATOM 119 N GLY A 19 2.149 -2.095 -1.343 1.00 91.72 N +ATOM 120 CA GLY A 19 1.482 -3.359 -1.431 1.00 91.45 C +ATOM 121 C GLY A 19 2.471 -4.468 -1.729 1.00 91.42 C +ATOM 122 O GLY A 19 3.640 -4.223 -2.014 1.00 91.95 O +ATOM 123 N PRO A 20 2.009 -5.711 -1.668 1.00 85.10 N +ATOM 124 CA PRO A 20 2.878 -6.836 -1.943 1.00 85.09 C +ATOM 125 C PRO A 20 3.228 -6.913 -3.420 1.00 84.12 C +ATOM 126 O PRO A 20 2.568 -6.306 -4.256 1.00 86.99 O +ATOM 127 CB PRO A 20 2.047 -8.034 -1.493 1.00 83.34 C +ATOM 128 CG PRO A 20 0.647 -7.578 -1.705 1.00 79.11 C +ATOM 129 CD PRO A 20 0.657 -6.123 -1.326 1.00 80.19 C +HETATM 130 N HYP A 21 4.283 -7.645 -3.725 1.00 86.65 N +HETATM 131 CA HYP A 21 4.631 -7.875 -5.087 1.00 88.38 C +HETATM 132 C HYP A 21 3.515 -8.476 -5.918 1.00 89.29 C +HETATM 133 O HYP A 21 2.724 -9.261 -5.363 1.00 91.51 O +HETATM 134 CB HYP A 21 5.825 -8.838 -5.012 1.00 86.61 C +HETATM 135 CG HYP A 21 6.444 -8.550 -3.662 1.00 83.29 C +HETATM 136 CD HYP A 21 5.241 -8.261 -2.792 1.00 87.74 C +HETATM 137 OD1 HYP A 21 7.217 -7.351 -3.721 1.00 84.56 O +ATOM 138 N GLY A 22 3.362 -8.044 -7.123 1.00 87.52 N +ATOM 139 CA GLY A 22 2.349 -8.565 -7.990 1.00 84.85 C +ATOM 140 C GLY A 22 2.669 -9.999 -8.382 1.00 84.00 C +ATOM 141 O GLY A 22 3.686 -10.554 -7.974 1.00 85.41 O +ATOM 142 N PRO A 23 1.811 -10.617 -9.194 1.00 90.34 N +ATOM 143 CA PRO A 23 2.051 -11.989 -9.617 1.00 90.25 C +ATOM 144 C PRO A 23 3.288 -12.079 -10.489 1.00 88.94 C +ATOM 145 O PRO A 23 3.713 -11.105 -11.094 1.00 85.53 O +ATOM 146 CB PRO A 23 0.782 -12.356 -10.376 1.00 86.94 C +ATOM 147 CG PRO A 23 0.292 -11.048 -10.881 1.00 83.94 C +ATOM 148 CD PRO A 23 0.601 -10.073 -9.772 1.00 87.33 C +HETATM 149 N HYP A 24 3.848 -13.188 -10.616 1.00 91.15 N +HETATM 150 CA HYP A 24 5.087 -13.278 -11.391 1.00 82.04 C +HETATM 151 C HYP A 24 5.212 -12.346 -12.519 1.00 87.48 C +HETATM 152 O HYP A 24 6.032 -12.488 -13.404 1.00 83.67 O +HETATM 153 CB HYP A 24 5.189 -14.748 -11.705 1.00 85.73 C +HETATM 154 CG HYP A 24 4.339 -15.464 -10.689 1.00 86.29 C +HETATM 155 CD HYP A 24 3.246 -14.475 -10.317 1.00 89.36 C +HETATM 156 OD1 HYP A 24 5.083 -15.709 -9.500 1.00 84.82 O +HETATM 157 OXT HYP A 24 4.450 -11.390 -12.565 1.00 81.96 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_296.txt b/protein_pdb_296.txt new file mode 100644 index 0000000000000000000000000000000000000000..65270a33d88fb6aaf24e72dc9af32fd1ef7a8947 --- /dev/null +++ b/protein_pdb_296.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -6.486 14.610 2.432 1.00 82.14 N +ATOM 2 CA GLY A 1 -7.446 13.613 1.995 1.00 84.33 C +ATOM 3 C GLY A 1 -7.276 12.323 2.754 1.00 86.13 C +ATOM 4 O GLY A 1 -6.390 12.208 3.596 1.00 83.38 O +ATOM 5 N PRO A 2 -8.100 11.322 2.467 1.00 85.74 N +ATOM 6 CA PRO A 2 -8.039 10.057 3.188 1.00 87.58 C +ATOM 7 C PRO A 2 -6.816 9.238 2.827 1.00 87.73 C +ATOM 8 O PRO A 2 -6.208 9.432 1.779 1.00 85.34 O +ATOM 9 CB PRO A 2 -9.322 9.352 2.760 1.00 84.52 C +ATOM 10 CG PRO A 2 -9.604 9.910 1.416 1.00 80.99 C +ATOM 11 CD PRO A 2 -9.170 11.342 1.473 1.00 81.94 C +HETATM 12 N HYP A 3 -6.479 8.384 3.694 1.00 85.67 N +HETATM 13 CA HYP A 3 -5.402 7.417 3.436 1.00 87.86 C +HETATM 14 C HYP A 3 -5.717 6.548 2.223 1.00 89.18 C +HETATM 15 O HYP A 3 -6.903 6.299 1.919 1.00 90.50 O +HETATM 16 CB HYP A 3 -5.432 6.541 4.714 1.00 88.36 C +HETATM 17 CG HYP A 3 -5.999 7.436 5.788 1.00 83.29 C +HETATM 18 CD HYP A 3 -7.046 8.267 5.007 1.00 87.23 C +HETATM 19 OD1 HYP A 3 -4.981 8.303 6.242 1.00 85.11 O +ATOM 20 N GLY A 4 -4.683 6.144 1.534 1.00 88.50 N +ATOM 21 CA GLY A 4 -4.850 5.285 0.391 1.00 88.65 C +ATOM 22 C GLY A 4 -5.264 3.887 0.807 1.00 89.71 C +ATOM 23 O GLY A 4 -5.279 3.548 1.991 1.00 89.74 O +ATOM 24 N PRO A 5 -5.603 3.056 -0.165 1.00 89.24 N +ATOM 25 CA PRO A 5 -6.014 1.697 0.140 1.00 90.16 C +ATOM 26 C PRO A 5 -4.835 0.836 0.553 1.00 89.94 C +ATOM 27 O PRO A 5 -3.685 1.178 0.318 1.00 87.59 O +ATOM 28 CB PRO A 5 -6.607 1.219 -1.182 1.00 88.09 C +ATOM 29 CG PRO A 5 -5.860 1.988 -2.203 1.00 85.89 C +ATOM 30 CD PRO A 5 -5.625 3.337 -1.602 1.00 88.19 C +HETATM 31 N HYP A 6 -5.162 -0.287 1.189 1.00 90.38 N +HETATM 32 CA HYP A 6 -4.137 -1.252 1.516 1.00 91.78 C +HETATM 33 C HYP A 6 -3.410 -1.722 0.292 1.00 91.27 C +HETATM 34 O HYP A 6 -3.988 -1.797 -0.814 1.00 89.26 O +HETATM 35 CB HYP A 6 -4.972 -2.419 2.121 1.00 86.23 C +HETATM 36 CG HYP A 6 -6.210 -1.762 2.672 1.00 85.33 C +HETATM 37 CD HYP A 6 -6.475 -0.671 1.645 1.00 89.36 C +HETATM 38 OD1 HYP A 6 -5.911 -1.167 3.918 1.00 86.17 O +ATOM 39 N GLY A 7 -2.148 -2.025 0.435 1.00 89.52 N +ATOM 40 CA GLY A 7 -1.357 -2.528 -0.655 1.00 88.25 C +ATOM 41 C GLY A 7 -1.817 -3.905 -1.086 1.00 89.00 C +ATOM 42 O GLY A 7 -2.630 -4.545 -0.421 1.00 88.53 O +ATOM 43 N PRO A 8 -1.297 -4.369 -2.203 1.00 89.04 N +ATOM 44 CA PRO A 8 -1.694 -5.678 -2.698 1.00 89.05 C +ATOM 45 C PRO A 8 -1.125 -6.808 -1.861 1.00 88.72 C +ATOM 46 O PRO A 8 -0.113 -6.656 -1.193 1.00 85.83 O +ATOM 47 CB PRO A 8 -1.149 -5.705 -4.124 1.00 86.71 C +ATOM 48 CG PRO A 8 0.006 -4.783 -4.079 1.00 85.85 C +ATOM 49 CD PRO A 8 -0.353 -3.699 -3.097 1.00 88.09 C +HETATM 50 N HYP A 9 -1.803 -7.964 -1.963 1.00 84.27 N +HETATM 51 CA HYP A 9 -1.348 -9.132 -1.289 1.00 86.77 C +HETATM 52 C HYP A 9 -0.037 -9.623 -1.860 1.00 85.28 C +HETATM 53 O HYP A 9 0.215 -9.510 -3.071 1.00 85.10 O +HETATM 54 CB HYP A 9 -2.400 -10.231 -1.668 1.00 80.40 C +HETATM 55 CG HYP A 9 -3.619 -9.474 -2.075 1.00 78.67 C +HETATM 56 CD HYP A 9 -3.080 -8.207 -2.652 1.00 83.09 C +HETATM 57 OD1 HYP A 9 -4.365 -9.156 -0.916 1.00 79.59 O +ATOM 58 N GLY A 10 0.838 -10.143 -1.101 1.00 84.01 N +ATOM 59 CA GLY A 10 2.078 -10.700 -1.571 1.00 80.91 C +ATOM 60 C GLY A 10 2.147 -12.182 -1.282 1.00 81.29 C +ATOM 61 O GLY A 10 1.237 -12.765 -0.696 1.00 78.06 O +ATOM 62 N ASP A 11 3.242 -12.786 -1.670 1.00 82.53 N +ATOM 63 CA ASP A 11 3.431 -14.209 -1.424 1.00 85.47 C +ATOM 64 C ASP A 11 3.716 -14.509 0.033 1.00 85.17 C +ATOM 65 O ASP A 11 3.548 -15.640 0.477 1.00 82.54 O +ATOM 66 CB ASP A 11 4.591 -14.744 -2.256 1.00 83.57 C +ATOM 67 CG ASP A 11 4.294 -14.781 -3.737 1.00 78.64 C +ATOM 68 OD1 ASP A 11 3.111 -14.752 -4.115 1.00 77.33 O +ATOM 69 OD2 ASP A 11 5.262 -14.853 -4.520 1.00 75.14 O +ATOM 70 N CYS A 12 4.195 -13.533 0.760 1.00 82.70 N +ATOM 71 CA CYS A 12 4.589 -13.753 2.141 1.00 86.62 C +ATOM 72 C CYS A 12 4.054 -12.690 3.080 1.00 86.99 C +ATOM 73 O CYS A 12 4.740 -12.265 4.008 1.00 82.50 O +ATOM 74 CB CYS A 12 6.116 -13.827 2.237 1.00 82.09 C +ATOM 75 SG CYS A 12 6.941 -12.345 1.666 1.00 75.53 S +ATOM 76 N GLY A 13 2.837 -12.263 2.870 1.00 83.37 N +ATOM 77 CA GLY A 13 2.271 -11.302 3.788 1.00 83.04 C +ATOM 78 C GLY A 13 0.926 -10.779 3.351 1.00 85.71 C +ATOM 79 O GLY A 13 0.516 -10.952 2.205 1.00 85.59 O +ATOM 80 N PRO A 14 0.246 -10.158 4.275 1.00 86.51 N +ATOM 81 CA PRO A 14 -1.055 -9.575 3.993 1.00 87.08 C +ATOM 82 C PRO A 14 -0.905 -8.291 3.190 1.00 87.31 C +ATOM 83 O PRO A 14 0.204 -7.851 2.889 1.00 84.97 O +ATOM 84 CB PRO A 14 -1.612 -9.296 5.384 1.00 85.01 C +ATOM 85 CG PRO A 14 -0.402 -8.997 6.192 1.00 83.45 C +ATOM 86 CD PRO A 14 0.663 -9.922 5.665 1.00 83.15 C +HETATM 87 N HYP A 15 -2.049 -7.729 2.891 1.00 88.86 N +HETATM 88 CA HYP A 15 -2.016 -6.452 2.220 1.00 89.48 C +HETATM 89 C HYP A 15 -1.205 -5.460 2.982 1.00 90.18 C +HETATM 90 O HYP A 15 -1.128 -5.522 4.230 1.00 88.47 O +HETATM 91 CB HYP A 15 -3.516 -6.054 2.259 1.00 86.46 C +HETATM 92 CG HYP A 15 -4.266 -7.356 2.319 1.00 82.82 C +HETATM 93 CD HYP A 15 -3.377 -8.220 3.187 1.00 87.91 C +HETATM 94 OD1 HYP A 15 -4.348 -7.896 1.049 1.00 85.06 O +ATOM 95 N GLY A 16 -0.560 -4.587 2.264 1.00 90.21 N +ATOM 96 CA GLY A 16 0.228 -3.559 2.892 1.00 89.75 C +ATOM 97 C GLY A 16 -0.654 -2.572 3.619 1.00 91.03 C +ATOM 98 O GLY A 16 -1.880 -2.618 3.526 1.00 90.81 O +ATOM 99 N PRO A 17 -0.020 -1.669 4.348 1.00 90.50 N +ATOM 100 CA PRO A 17 -0.784 -0.669 5.083 1.00 90.78 C +ATOM 101 C PRO A 17 -1.413 0.347 4.147 1.00 91.42 C +ATOM 102 O PRO A 17 -1.034 0.459 2.985 1.00 89.67 O +ATOM 103 CB PRO A 17 0.264 -0.025 5.988 1.00 89.19 C +ATOM 104 CG PRO A 17 1.535 -0.219 5.258 1.00 88.04 C +ATOM 105 CD PRO A 17 1.421 -1.532 4.552 1.00 89.23 C +HETATM 106 N HYP A 18 -2.391 1.063 4.657 1.00 88.39 N +HETATM 107 CA HYP A 18 -2.948 2.127 3.918 1.00 90.48 C +HETATM 108 C HYP A 18 -1.932 3.121 3.460 1.00 88.85 C +HETATM 109 O HYP A 18 -0.928 3.357 4.181 1.00 90.81 O +HETATM 110 CB HYP A 18 -3.907 2.765 4.922 1.00 86.39 C +HETATM 111 CG HYP A 18 -4.300 1.630 5.857 1.00 85.55 C +HETATM 112 CD HYP A 18 -3.005 0.870 5.956 1.00 90.49 C +HETATM 113 OD1 HYP A 18 -5.282 0.833 5.241 1.00 86.34 O +ATOM 114 N GLY A 19 -2.127 3.673 2.323 1.00 87.70 N +ATOM 115 CA GLY A 19 -1.235 4.671 1.801 1.00 87.59 C +ATOM 116 C GLY A 19 -1.281 5.933 2.636 1.00 88.81 C +ATOM 117 O GLY A 19 -2.099 6.067 3.546 1.00 89.31 O +ATOM 118 N PRO A 20 -0.404 6.857 2.323 1.00 83.21 N +ATOM 119 CA PRO A 20 -0.356 8.091 3.085 1.00 84.55 C +ATOM 120 C PRO A 20 -1.566 8.967 2.826 1.00 84.31 C +ATOM 121 O PRO A 20 -2.238 8.841 1.815 1.00 83.75 O +ATOM 122 CB PRO A 20 0.921 8.758 2.587 1.00 81.65 C +ATOM 123 CG PRO A 20 1.086 8.233 1.209 1.00 77.87 C +ATOM 124 CD PRO A 20 0.597 6.814 1.260 1.00 80.05 C +HETATM 125 N HYP A 21 -1.826 9.821 3.763 1.00 87.76 N +HETATM 126 CA HYP A 21 -2.874 10.768 3.598 1.00 87.38 C +HETATM 127 C HYP A 21 -2.685 11.674 2.416 1.00 87.06 C +HETATM 128 O HYP A 21 -1.527 12.004 2.092 1.00 91.05 O +HETATM 129 CB HYP A 21 -2.812 11.620 4.885 1.00 86.20 C +HETATM 130 CG HYP A 21 -2.121 10.752 5.921 1.00 80.16 C +HETATM 131 CD HYP A 21 -1.159 9.951 5.074 1.00 88.28 C +HETATM 132 OD1 HYP A 21 -3.077 9.840 6.477 1.00 84.97 O +ATOM 133 N GLY A 22 -3.707 11.962 1.718 1.00 86.21 N +ATOM 134 CA GLY A 22 -3.633 12.898 0.642 1.00 83.96 C +ATOM 135 C GLY A 22 -3.556 14.310 1.189 1.00 83.94 C +ATOM 136 O GLY A 22 -3.520 14.516 2.400 1.00 83.29 O +ATOM 137 N PRO A 23 -3.544 15.300 0.318 1.00 86.81 N +ATOM 138 CA PRO A 23 -3.539 16.682 0.783 1.00 86.96 C +ATOM 139 C PRO A 23 -4.767 16.955 1.621 1.00 85.73 C +ATOM 140 O PRO A 23 -5.790 16.294 1.469 1.00 81.37 O +ATOM 141 CB PRO A 23 -3.568 17.496 -0.506 1.00 82.51 C +ATOM 142 CG PRO A 23 -3.046 16.568 -1.534 1.00 80.81 C +ATOM 143 CD PRO A 23 -3.514 15.211 -1.132 1.00 83.25 C +HETATM 144 N HYP A 24 -4.731 17.861 2.486 1.00 88.77 N +HETATM 145 CA HYP A 24 -5.902 18.056 3.293 1.00 84.32 C +HETATM 146 C HYP A 24 -7.063 17.299 2.903 1.00 87.79 C +HETATM 147 O HYP A 24 -7.731 17.786 1.984 1.00 80.90 O +HETATM 148 CB HYP A 24 -5.902 19.396 3.810 1.00 84.55 C +HETATM 149 CG HYP A 24 -4.451 19.859 3.658 1.00 82.95 C +HETATM 150 CD HYP A 24 -3.872 18.989 2.522 1.00 87.62 C +HETATM 151 OD1 HYP A 24 -3.705 19.558 4.844 1.00 83.14 O +HETATM 152 OXT HYP A 24 -7.392 16.319 3.633 1.00 80.26 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_297.txt b/protein_pdb_297.txt new file mode 100644 index 0000000000000000000000000000000000000000..0dd4a6e15137911b1a035ed6cb92194e2451b79a --- /dev/null +++ b/protein_pdb_297.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -10.517 9.462 -4.002 1.00 92.24 N +ATOM 2 CA GLY A 1 -9.141 9.503 -4.360 1.00 92.41 C +ATOM 3 C GLY A 1 -8.556 8.176 -4.793 1.00 92.90 C +ATOM 4 O GLY A 1 -9.165 7.121 -4.587 1.00 91.62 O +ATOM 5 N PRO A 2 -7.401 8.213 -5.348 1.00 92.34 N +ATOM 6 CA PRO A 2 -6.745 7.014 -5.820 1.00 92.65 C +ATOM 7 C PRO A 2 -6.120 6.225 -4.685 1.00 92.63 C +ATOM 8 O PRO A 2 -6.021 6.705 -3.556 1.00 90.50 O +ATOM 9 CB PRO A 2 -5.696 7.569 -6.772 1.00 90.29 C +ATOM 10 CG PRO A 2 -5.333 8.864 -6.137 1.00 86.12 C +ATOM 11 CD PRO A 2 -6.654 9.418 -5.677 1.00 88.71 C +HETATM 12 N HYP A 3 -5.720 5.029 -5.009 1.00 90.95 N +HETATM 13 CA HYP A 3 -5.043 4.216 -4.011 1.00 90.88 C +HETATM 14 C HYP A 3 -3.735 4.871 -3.553 1.00 92.18 C +HETATM 15 O HYP A 3 -3.099 5.588 -4.351 1.00 93.55 O +HETATM 16 CB HYP A 3 -4.744 2.903 -4.763 1.00 89.44 C +HETATM 17 CG HYP A 3 -5.840 2.822 -5.822 1.00 86.27 C +HETATM 18 CD HYP A 3 -5.990 4.303 -6.229 1.00 90.02 C +HETATM 19 OD1 HYP A 3 -7.015 2.390 -5.226 1.00 89.54 O +ATOM 20 N GLY A 4 -3.425 4.650 -2.305 1.00 93.21 N +ATOM 21 CA GLY A 4 -2.233 5.221 -1.757 1.00 92.77 C +ATOM 22 C GLY A 4 -1.002 4.548 -2.348 1.00 92.90 C +ATOM 23 O GLY A 4 -1.100 3.563 -3.075 1.00 92.85 O +ATOM 24 N PRO A 5 0.180 5.081 -2.037 1.00 93.54 N +ATOM 25 CA PRO A 5 1.410 4.508 -2.561 1.00 93.09 C +ATOM 26 C PRO A 5 1.729 3.165 -1.918 1.00 92.60 C +ATOM 27 O PRO A 5 1.175 2.818 -0.880 1.00 91.48 O +ATOM 28 CB PRO A 5 2.452 5.562 -2.226 1.00 91.41 C +ATOM 29 CG PRO A 5 1.926 6.169 -0.974 1.00 88.90 C +ATOM 30 CD PRO A 5 0.446 6.254 -1.219 1.00 91.39 C +HETATM 31 N HYP A 6 2.621 2.425 -2.581 1.00 92.36 N +HETATM 32 CA HYP A 6 3.047 1.173 -2.002 1.00 93.85 C +HETATM 33 C HYP A 6 3.680 1.324 -0.645 1.00 93.45 C +HETATM 34 O HYP A 6 4.301 2.390 -0.359 1.00 94.25 O +HETATM 35 CB HYP A 6 4.030 0.631 -3.042 1.00 90.88 C +HETATM 36 CG HYP A 6 3.544 1.210 -4.353 1.00 89.47 C +HETATM 37 CD HYP A 6 3.130 2.609 -3.919 1.00 91.91 C +HETATM 38 OD1 HYP A 6 2.438 0.487 -4.800 1.00 89.57 O +ATOM 39 N GLY A 7 3.461 0.378 0.213 1.00 91.73 N +ATOM 40 CA GLY A 7 4.001 0.420 1.539 1.00 91.45 C +ATOM 41 C GLY A 7 5.504 0.238 1.500 1.00 92.44 C +ATOM 42 O GLY A 7 6.091 0.018 0.438 1.00 92.47 O +ATOM 43 N PRO A 8 6.149 0.341 2.646 1.00 92.40 N +ATOM 44 CA PRO A 8 7.593 0.173 2.697 1.00 92.25 C +ATOM 45 C PRO A 8 8.002 -1.268 2.435 1.00 92.62 C +ATOM 46 O PRO A 8 7.190 -2.183 2.492 1.00 91.59 O +ATOM 47 CB PRO A 8 7.945 0.630 4.106 1.00 90.65 C +ATOM 48 CG PRO A 8 6.729 0.278 4.883 1.00 89.08 C +ATOM 49 CD PRO A 8 5.595 0.635 3.953 1.00 91.00 C +HETATM 50 N HYP A 9 9.284 -1.474 2.146 1.00 92.59 N +HETATM 51 CA HYP A 9 9.772 -2.787 1.936 1.00 92.85 C +HETATM 52 C HYP A 9 9.642 -3.683 3.134 1.00 92.98 C +HETATM 53 O HYP A 9 9.694 -3.212 4.270 1.00 93.63 O +HETATM 54 CB HYP A 9 11.248 -2.583 1.585 1.00 90.20 C +HETATM 55 CG HYP A 9 11.321 -1.224 1.028 1.00 89.23 C +HETATM 56 CD HYP A 9 10.283 -0.474 1.829 1.00 92.16 C +HETATM 57 OD1 HYP A 9 10.928 -1.264 -0.324 1.00 89.76 O +ATOM 58 N GLY A 10 9.432 -4.929 2.902 1.00 91.80 N +ATOM 59 CA GLY A 10 9.380 -5.878 3.979 1.00 90.09 C +ATOM 60 C GLY A 10 10.778 -6.038 4.534 1.00 90.27 C +ATOM 61 O GLY A 10 11.700 -5.321 4.143 1.00 89.07 O +ATOM 62 N ARG A 11 10.956 -7.001 5.440 1.00 92.02 N +ATOM 63 CA ARG A 11 12.270 -7.248 6.023 1.00 92.12 C +ATOM 64 C ARG A 11 13.378 -7.203 4.981 1.00 92.21 C +ATOM 65 O ARG A 11 14.416 -6.582 5.195 1.00 90.34 O +ATOM 66 CB ARG A 11 12.291 -8.617 6.699 1.00 89.76 C +ATOM 67 CG ARG A 11 11.961 -8.565 8.166 1.00 84.14 C +ATOM 68 CD ARG A 11 11.578 -9.938 8.692 1.00 79.27 C +ATOM 69 NE ARG A 11 12.485 -10.995 8.292 1.00 75.98 N +ATOM 70 CZ ARG A 11 13.646 -11.279 8.878 1.00 71.73 C +ATOM 71 NH1 ARG A 11 14.076 -10.568 9.902 1.00 68.95 N +ATOM 72 NH2 ARG A 11 14.384 -12.280 8.429 1.00 66.36 N +ATOM 73 N SER A 12 13.144 -7.863 3.863 1.00 94.28 N +ATOM 74 CA SER A 12 14.110 -7.902 2.765 1.00 94.78 C +ATOM 75 C SER A 12 13.360 -8.128 1.469 1.00 95.22 C +ATOM 76 O SER A 12 13.876 -8.740 0.531 1.00 91.43 O +ATOM 77 CB SER A 12 15.126 -9.023 2.997 1.00 91.66 C +ATOM 78 OG SER A 12 14.476 -10.277 3.031 1.00 82.88 O +ATOM 79 N GLY A 13 12.148 -7.649 1.414 1.00 95.41 N +ATOM 80 CA GLY A 13 11.305 -7.908 0.270 1.00 94.91 C +ATOM 81 C GLY A 13 10.762 -6.674 -0.415 1.00 95.56 C +ATOM 82 O GLY A 13 11.222 -5.561 -0.177 1.00 95.02 O +ATOM 83 N PRO A 14 9.795 -6.879 -1.291 1.00 95.70 N +ATOM 84 CA PRO A 14 9.219 -5.799 -2.075 1.00 95.56 C +ATOM 85 C PRO A 14 8.347 -4.871 -1.255 1.00 95.81 C +ATOM 86 O PRO A 14 7.993 -5.164 -0.116 1.00 95.09 O +ATOM 87 CB PRO A 14 8.420 -6.544 -3.143 1.00 94.15 C +ATOM 88 CG PRO A 14 7.967 -7.763 -2.433 1.00 92.18 C +ATOM 89 CD PRO A 14 9.164 -8.163 -1.614 1.00 93.75 C +HETATM 90 N HYP A 15 8.044 -3.756 -1.850 1.00 94.47 N +HETATM 91 CA HYP A 15 7.125 -2.837 -1.256 1.00 94.67 C +HETATM 92 C HYP A 15 5.806 -3.449 -0.936 1.00 95.88 C +HETATM 93 O HYP A 15 5.385 -4.412 -1.629 1.00 95.01 O +HETATM 94 CB HYP A 15 7.052 -1.745 -2.307 1.00 93.20 C +HETATM 95 CG HYP A 15 8.402 -1.791 -3.006 1.00 90.72 C +HETATM 96 CD HYP A 15 8.651 -3.297 -3.061 1.00 93.54 C +HETATM 97 OD1 HYP A 15 9.361 -1.154 -2.230 1.00 91.34 O +ATOM 98 N GLY A 16 5.150 -2.960 0.065 1.00 96.04 N +ATOM 99 CA GLY A 16 3.856 -3.455 0.443 1.00 95.67 C +ATOM 100 C GLY A 16 2.814 -3.060 -0.575 1.00 95.81 C +ATOM 101 O GLY A 16 3.102 -2.341 -1.533 1.00 95.56 O +ATOM 102 N PRO A 17 1.583 -3.528 -0.373 1.00 95.13 N +ATOM 103 CA PRO A 17 0.510 -3.214 -1.304 1.00 94.55 C +ATOM 104 C PRO A 17 0.103 -1.754 -1.244 1.00 94.72 C +ATOM 105 O PRO A 17 0.414 -1.045 -0.292 1.00 93.64 O +ATOM 106 CB PRO A 17 -0.614 -4.145 -0.861 1.00 93.47 C +ATOM 107 CG PRO A 17 -0.367 -4.303 0.598 1.00 91.70 C +ATOM 108 CD PRO A 17 1.125 -4.396 0.698 1.00 93.27 C +HETATM 109 N HYP A 18 -0.573 -1.305 -2.292 1.00 92.77 N +HETATM 110 CA HYP A 18 -1.082 0.020 -2.311 1.00 93.35 C +HETATM 111 C HYP A 18 -2.015 0.323 -1.175 1.00 93.76 C +HETATM 112 O HYP A 18 -2.724 -0.594 -0.681 1.00 93.56 O +HETATM 113 CB HYP A 18 -1.815 0.077 -3.656 1.00 90.74 C +HETATM 114 CG HYP A 18 -1.116 -0.940 -4.532 1.00 89.14 C +HETATM 115 CD HYP A 18 -0.809 -2.039 -3.524 1.00 92.58 C +HETATM 116 OD1 HYP A 18 0.092 -0.371 -5.008 1.00 89.29 O +ATOM 117 N GLY A 19 -2.018 1.530 -0.729 1.00 92.03 N +ATOM 118 CA GLY A 19 -2.891 1.928 0.329 1.00 92.28 C +ATOM 119 C GLY A 19 -4.325 1.964 -0.163 1.00 92.60 C +ATOM 120 O GLY A 19 -4.586 1.813 -1.353 1.00 92.71 O +ATOM 121 N PRO A 20 -5.262 2.159 0.750 1.00 91.73 N +ATOM 122 CA PRO A 20 -6.662 2.204 0.369 1.00 91.46 C +ATOM 123 C PRO A 20 -7.001 3.468 -0.404 1.00 91.51 C +ATOM 124 O PRO A 20 -6.239 4.430 -0.401 1.00 90.91 O +ATOM 125 CB PRO A 20 -7.387 2.133 1.703 1.00 89.77 C +ATOM 126 CG PRO A 20 -6.438 2.784 2.637 1.00 87.15 C +ATOM 127 CD PRO A 20 -5.087 2.298 2.184 1.00 89.19 C +HETATM 128 N HYP A 21 -8.135 3.448 -1.084 1.00 92.25 N +HETATM 129 CA HYP A 21 -8.587 4.599 -1.795 1.00 91.86 C +HETATM 130 C HYP A 21 -8.796 5.819 -0.917 1.00 92.27 C +HETATM 131 O HYP A 21 -9.206 5.650 0.236 1.00 93.94 O +HETATM 132 CB HYP A 21 -9.913 4.160 -2.416 1.00 90.53 C +HETATM 133 CG HYP A 21 -9.803 2.658 -2.551 1.00 88.00 C +HETATM 134 CD HYP A 21 -8.991 2.279 -1.333 1.00 91.98 C +HETATM 135 OD1 HYP A 21 -9.052 2.349 -3.723 1.00 88.41 O +ATOM 136 N GLY A 22 -8.470 6.959 -1.403 1.00 92.60 N +ATOM 137 CA GLY A 22 -8.668 8.163 -0.669 1.00 91.79 C +ATOM 138 C GLY A 22 -10.148 8.521 -0.687 1.00 91.62 C +ATOM 139 O GLY A 22 -10.940 7.875 -1.372 1.00 91.09 O +ATOM 140 N PRO A 23 -10.554 9.563 0.031 1.00 93.81 N +ATOM 141 CA PRO A 23 -11.954 9.970 0.037 1.00 93.59 C +ATOM 142 C PRO A 23 -12.301 10.654 -1.274 1.00 92.42 C +ATOM 143 O PRO A 23 -11.786 11.730 -1.572 1.00 89.99 O +ATOM 144 CB PRO A 23 -12.029 10.920 1.226 1.00 91.71 C +ATOM 145 CG PRO A 23 -10.669 11.521 1.265 1.00 88.55 C +ATOM 146 CD PRO A 23 -9.747 10.372 0.923 1.00 91.62 C +HETATM 147 N HYP A 24 -13.033 10.067 -2.137 1.00 94.36 N +HETATM 148 CA HYP A 24 -12.993 10.330 -3.591 1.00 89.73 C +HETATM 149 C HYP A 24 -11.790 10.383 -4.282 1.00 94.29 C +HETATM 150 O HYP A 24 -11.241 11.563 -4.446 1.00 93.17 O +HETATM 151 CB HYP A 24 -14.341 10.311 -4.135 1.00 89.65 C +HETATM 152 CG HYP A 24 -15.248 10.299 -2.901 1.00 88.41 C +HETATM 153 CD HYP A 24 -14.307 10.162 -1.663 1.00 93.30 C +HETATM 154 OD1 HYP A 24 -16.067 9.166 -2.913 1.00 91.43 O +HETATM 155 OXT HYP A 24 -11.729 9.789 -5.530 1.00 90.14 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_298.txt b/protein_pdb_298.txt new file mode 100644 index 0000000000000000000000000000000000000000..d66c625ae3ae2f2187e283b67f3f387428013d97 --- /dev/null +++ b/protein_pdb_298.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 14.389 0.304 2.815 1.00 89.64 N +ATOM 2 CA GLY A 1 13.662 0.899 1.721 1.00 90.70 C +ATOM 3 C GLY A 1 12.423 1.615 2.191 1.00 91.30 C +ATOM 4 O GLY A 1 12.012 1.468 3.337 1.00 89.59 O +ATOM 5 N PRO A 2 11.773 2.362 1.333 1.00 88.11 N +ATOM 6 CA PRO A 2 10.582 3.104 1.699 1.00 89.07 C +ATOM 7 C PRO A 2 9.367 2.198 1.795 1.00 88.81 C +ATOM 8 O PRO A 2 9.373 1.068 1.321 1.00 86.66 O +ATOM 9 CB PRO A 2 10.442 4.111 0.562 1.00 85.93 C +ATOM 10 CG PRO A 2 11.024 3.390 -0.606 1.00 82.15 C +ATOM 11 CD PRO A 2 12.183 2.616 -0.045 1.00 83.43 C +HETATM 12 N HYP A 3 8.330 2.738 2.427 1.00 87.77 N +HETATM 13 CA HYP A 3 7.088 1.982 2.492 1.00 88.75 C +HETATM 14 C HYP A 3 6.521 1.718 1.117 1.00 89.57 C +HETATM 15 O HYP A 3 6.705 2.547 0.189 1.00 91.88 O +HETATM 16 CB HYP A 3 6.128 2.961 3.246 1.00 87.26 C +HETATM 17 CG HYP A 3 7.060 3.839 4.072 1.00 82.79 C +HETATM 18 CD HYP A 3 8.274 4.003 3.119 1.00 86.32 C +HETATM 19 OD1 HYP A 3 7.458 3.128 5.202 1.00 85.99 O +ATOM 20 N GLY A 4 5.928 0.557 0.971 1.00 92.34 N +ATOM 21 CA GLY A 4 5.316 0.225 -0.285 1.00 91.65 C +ATOM 22 C GLY A 4 4.106 1.099 -0.550 1.00 92.52 C +ATOM 23 O GLY A 4 3.612 1.786 0.341 1.00 92.64 O +ATOM 24 N PRO A 5 3.621 1.083 -1.789 1.00 90.91 N +ATOM 25 CA PRO A 5 2.461 1.886 -2.132 1.00 90.57 C +ATOM 26 C PRO A 5 1.192 1.330 -1.520 1.00 90.40 C +ATOM 27 O PRO A 5 1.148 0.180 -1.094 1.00 89.49 O +ATOM 28 CB PRO A 5 2.423 1.804 -3.657 1.00 89.14 C +ATOM 29 CG PRO A 5 3.015 0.471 -3.940 1.00 87.42 C +ATOM 30 CD PRO A 5 4.103 0.299 -2.918 1.00 89.49 C +HETATM 31 N HYP A 6 0.158 2.195 -1.465 1.00 90.57 N +HETATM 32 CA HYP A 6 -1.117 1.710 -1.004 1.00 92.35 C +HETATM 33 C HYP A 6 -1.612 0.579 -1.838 1.00 90.59 C +HETATM 34 O HYP A 6 -1.318 0.534 -3.071 1.00 91.93 O +HETATM 35 CB HYP A 6 -2.032 2.966 -1.192 1.00 86.83 C +HETATM 36 CG HYP A 6 -1.093 4.131 -1.117 1.00 85.78 C +HETATM 37 CD HYP A 6 0.159 3.602 -1.821 1.00 89.58 C +HETATM 38 OD1 HYP A 6 -0.793 4.394 0.233 1.00 87.46 O +ATOM 39 N GLY A 7 -2.263 -0.366 -1.237 1.00 91.81 N +ATOM 40 CA GLY A 7 -2.804 -1.485 -1.957 1.00 90.96 C +ATOM 41 C GLY A 7 -3.845 -1.031 -2.965 1.00 91.60 C +ATOM 42 O GLY A 7 -4.331 0.097 -2.917 1.00 91.54 O +ATOM 43 N PRO A 8 -4.179 -1.910 -3.889 1.00 91.00 N +ATOM 44 CA PRO A 8 -5.160 -1.546 -4.901 1.00 90.56 C +ATOM 45 C PRO A 8 -6.551 -1.438 -4.314 1.00 90.61 C +ATOM 46 O PRO A 8 -6.844 -1.982 -3.260 1.00 89.63 O +ATOM 47 CB PRO A 8 -5.066 -2.698 -5.902 1.00 87.98 C +ATOM 48 CG PRO A 8 -4.651 -3.850 -5.064 1.00 86.86 C +ATOM 49 CD PRO A 8 -3.704 -3.272 -4.049 1.00 89.06 C +HETATM 50 N HYP A 9 -7.410 -0.711 -5.035 1.00 88.28 N +HETATM 51 CA HYP A 9 -8.755 -0.597 -4.630 1.00 89.19 C +HETATM 52 C HYP A 9 -9.449 -1.921 -4.688 1.00 90.29 C +HETATM 53 O HYP A 9 -9.256 -2.683 -5.656 1.00 89.69 O +HETATM 54 CB HYP A 9 -9.361 0.371 -5.717 1.00 84.84 C +HETATM 55 CG HYP A 9 -8.194 1.129 -6.278 1.00 84.73 C +HETATM 56 CD HYP A 9 -7.086 0.138 -6.219 1.00 88.18 C +HETATM 57 OD1 HYP A 9 -7.885 2.205 -5.415 1.00 84.83 O +ATOM 58 N GLY A 10 -10.168 -2.322 -3.678 1.00 91.00 N +ATOM 59 CA GLY A 10 -10.984 -3.509 -3.726 1.00 88.55 C +ATOM 60 C GLY A 10 -12.211 -3.223 -4.560 1.00 89.06 C +ATOM 61 O GLY A 10 -12.510 -2.075 -4.892 1.00 87.17 O +ATOM 62 N THR A 11 -12.940 -4.263 -4.889 1.00 88.74 N +ATOM 63 CA THR A 11 -14.154 -4.050 -5.668 1.00 89.53 C +ATOM 64 C THR A 11 -15.172 -3.234 -4.888 1.00 89.34 C +ATOM 65 O THR A 11 -15.977 -2.516 -5.482 1.00 86.23 O +ATOM 66 CB THR A 11 -14.772 -5.380 -6.096 1.00 86.47 C +ATOM 67 OG1 THR A 11 -14.959 -6.200 -4.951 1.00 82.43 O +ATOM 68 CG2 THR A 11 -13.876 -6.090 -7.086 1.00 80.46 C +ATOM 69 N ILE A 12 -15.119 -3.342 -3.577 1.00 90.87 N +ATOM 70 CA ILE A 12 -16.008 -2.559 -2.722 1.00 91.68 C +ATOM 71 C ILE A 12 -15.278 -1.992 -1.513 1.00 90.75 C +ATOM 72 O ILE A 12 -15.898 -1.369 -0.658 1.00 86.46 O +ATOM 73 CB ILE A 12 -17.210 -3.407 -2.244 1.00 90.17 C +ATOM 74 CG1 ILE A 12 -16.723 -4.655 -1.520 1.00 85.50 C +ATOM 75 CG2 ILE A 12 -18.116 -3.771 -3.403 1.00 83.11 C +ATOM 76 CD1 ILE A 12 -17.838 -5.460 -0.868 1.00 76.80 C +ATOM 77 N GLY A 13 -13.989 -2.192 -1.430 1.00 92.22 N +ATOM 78 CA GLY A 13 -13.232 -1.761 -0.272 1.00 91.27 C +ATOM 79 C GLY A 13 -12.251 -0.664 -0.581 1.00 92.31 C +ATOM 80 O GLY A 13 -11.932 -0.398 -1.742 1.00 92.27 O +ATOM 81 N PRO A 14 -11.749 -0.001 0.451 1.00 91.43 N +ATOM 82 CA PRO A 14 -10.778 1.061 0.264 1.00 91.47 C +ATOM 83 C PRO A 14 -9.417 0.499 -0.111 1.00 91.82 C +ATOM 84 O PRO A 14 -9.177 -0.692 0.006 1.00 90.16 O +ATOM 85 CB PRO A 14 -10.732 1.742 1.630 1.00 89.45 C +ATOM 86 CG PRO A 14 -11.015 0.625 2.574 1.00 87.90 C +ATOM 87 CD PRO A 14 -12.038 -0.231 1.862 1.00 88.62 C +HETATM 88 N HYP A 15 -8.542 1.420 -0.530 1.00 91.08 N +HETATM 89 CA HYP A 15 -7.199 0.977 -0.845 1.00 92.65 C +HETATM 90 C HYP A 15 -6.543 0.392 0.362 1.00 94.65 C +HETATM 91 O HYP A 15 -6.856 0.816 1.512 1.00 92.31 O +HETATM 92 CB HYP A 15 -6.523 2.310 -1.249 1.00 89.54 C +HETATM 93 CG HYP A 15 -7.664 3.184 -1.760 1.00 87.11 C +HETATM 94 CD HYP A 15 -8.768 2.848 -0.797 1.00 90.41 C +HETATM 95 OD1 HYP A 15 -8.018 2.819 -3.049 1.00 89.05 O +ATOM 96 N GLY A 16 -5.709 -0.588 0.148 1.00 94.44 N +ATOM 97 CA GLY A 16 -5.000 -1.188 1.248 1.00 93.89 C +ATOM 98 C GLY A 16 -3.998 -0.218 1.836 1.00 94.43 C +ATOM 99 O GLY A 16 -3.705 0.825 1.251 1.00 94.25 O +ATOM 100 N PRO A 17 -3.469 -0.552 3.001 1.00 90.42 N +ATOM 101 CA PRO A 17 -2.485 0.307 3.640 1.00 90.46 C +ATOM 102 C PRO A 17 -1.160 0.269 2.897 1.00 90.82 C +ATOM 103 O PRO A 17 -0.908 -0.626 2.101 1.00 88.98 O +ATOM 104 CB PRO A 17 -2.358 -0.278 5.038 1.00 88.60 C +ATOM 105 CG PRO A 17 -2.657 -1.721 4.832 1.00 87.54 C +ATOM 106 CD PRO A 17 -3.734 -1.752 3.790 1.00 88.80 C +HETATM 107 N HYP A 18 -0.315 1.282 3.186 1.00 85.95 N +HETATM 108 CA HYP A 18 0.994 1.233 2.620 1.00 87.17 C +HETATM 109 C HYP A 18 1.725 -0.013 3.003 1.00 86.95 C +HETATM 110 O HYP A 18 1.521 -0.534 4.125 1.00 89.05 O +HETATM 111 CB HYP A 18 1.673 2.475 3.266 1.00 86.78 C +HETATM 112 CG HYP A 18 0.541 3.407 3.586 1.00 82.95 C +HETATM 113 CD HYP A 18 -0.561 2.454 3.991 1.00 86.82 C +HETATM 114 OD1 HYP A 18 0.150 4.106 2.413 1.00 85.98 O +ATOM 115 N GLY A 19 2.496 -0.546 2.091 1.00 87.52 N +ATOM 116 CA GLY A 19 3.266 -1.727 2.364 1.00 87.36 C +ATOM 117 C GLY A 19 4.323 -1.451 3.412 1.00 88.02 C +ATOM 118 O GLY A 19 4.609 -0.304 3.741 1.00 88.68 O +ATOM 119 N PRO A 20 4.923 -2.506 3.949 1.00 79.51 N +ATOM 120 CA PRO A 20 5.952 -2.330 4.954 1.00 80.08 C +ATOM 121 C PRO A 20 7.222 -1.768 4.346 1.00 80.11 C +ATOM 122 O PRO A 20 7.420 -1.820 3.138 1.00 81.51 O +ATOM 123 CB PRO A 20 6.169 -3.743 5.476 1.00 78.36 C +ATOM 124 CG PRO A 20 5.823 -4.601 4.310 1.00 75.31 C +ATOM 125 CD PRO A 20 4.676 -3.908 3.645 1.00 75.51 C +HETATM 126 N HYP A 21 8.043 -1.223 5.204 1.00 82.16 N +HETATM 127 CA HYP A 21 9.321 -0.747 4.728 1.00 83.39 C +HETATM 128 C HYP A 21 10.137 -1.825 4.052 1.00 82.09 C +HETATM 129 O HYP A 21 10.076 -2.988 4.483 1.00 88.28 O +HETATM 130 CB HYP A 21 10.022 -0.276 6.011 1.00 81.02 C +HETATM 131 CG HYP A 21 8.900 0.063 6.969 1.00 75.94 C +HETATM 132 CD HYP A 21 7.854 -0.984 6.646 1.00 82.36 C +HETATM 133 OD1 HYP A 21 8.359 1.348 6.653 1.00 79.79 O +ATOM 134 N GLY A 22 10.788 -1.499 2.994 1.00 85.54 N +ATOM 135 CA GLY A 22 11.639 -2.431 2.323 1.00 83.38 C +ATOM 136 C GLY A 22 12.889 -2.692 3.147 1.00 83.30 C +ATOM 137 O GLY A 22 13.106 -2.066 4.182 1.00 83.96 O +ATOM 138 N PRO A 23 13.742 -3.608 2.698 1.00 87.23 N +ATOM 139 CA PRO A 23 14.968 -3.895 3.429 1.00 87.28 C +ATOM 140 C PRO A 23 15.918 -2.715 3.344 1.00 86.04 C +ATOM 141 O PRO A 23 16.330 -2.333 2.253 1.00 83.32 O +ATOM 142 CB PRO A 23 15.517 -5.128 2.715 1.00 83.82 C +ATOM 143 CG PRO A 23 14.982 -5.013 1.338 1.00 80.51 C +ATOM 144 CD PRO A 23 13.616 -4.399 1.489 1.00 82.47 C +HETATM 145 N HYP A 24 16.220 -2.099 4.348 1.00 90.79 N +HETATM 146 CA HYP A 24 16.945 -0.799 4.256 1.00 85.71 C +HETATM 147 C HYP A 24 16.144 0.274 3.672 1.00 90.76 C +HETATM 148 O HYP A 24 16.698 0.975 2.782 1.00 87.94 O +HETATM 149 CB HYP A 24 17.476 -0.577 5.586 1.00 85.11 C +HETATM 150 CG HYP A 24 17.372 -1.900 6.341 1.00 84.38 C +HETATM 151 CD HYP A 24 16.589 -2.842 5.436 1.00 88.72 C +HETATM 152 OD1 HYP A 24 18.635 -2.440 6.517 1.00 85.37 O +HETATM 153 OXT HYP A 24 15.090 0.778 4.266 1.00 85.45 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_299.txt b/protein_pdb_299.txt new file mode 100644 index 0000000000000000000000000000000000000000..e4807573dfd67ba45c7ab96eff44455a1d1c44de --- /dev/null +++ b/protein_pdb_299.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 9.570 -12.304 -7.424 1.00 91.14 N +ATOM 2 CA GLY A 1 8.603 -11.492 -8.096 1.00 91.80 C +ATOM 3 C GLY A 1 8.671 -10.020 -7.746 1.00 91.90 C +ATOM 4 O GLY A 1 9.347 -9.631 -6.799 1.00 89.95 O +ATOM 5 N PRO A 2 7.979 -9.262 -8.460 1.00 90.71 N +ATOM 6 CA PRO A 2 7.954 -7.825 -8.237 1.00 90.97 C +ATOM 7 C PRO A 2 7.089 -7.439 -7.047 1.00 90.41 C +ATOM 8 O PRO A 2 6.314 -8.247 -6.535 1.00 88.07 O +ATOM 9 CB PRO A 2 7.385 -7.294 -9.541 1.00 87.93 C +ATOM 10 CG PRO A 2 6.453 -8.377 -9.966 1.00 84.63 C +ATOM 11 CD PRO A 2 7.170 -9.651 -9.612 1.00 87.08 C +HETATM 12 N HYP A 3 7.239 -6.203 -6.639 1.00 89.97 N +HETATM 13 CA HYP A 3 6.413 -5.708 -5.548 1.00 88.05 C +HETATM 14 C HYP A 3 4.931 -5.732 -5.912 1.00 88.27 C +HETATM 15 O HYP A 3 4.586 -5.592 -7.107 1.00 91.60 O +HETATM 16 CB HYP A 3 6.890 -4.226 -5.409 1.00 88.28 C +HETATM 17 CG HYP A 3 8.322 -4.264 -5.901 1.00 84.38 C +HETATM 18 CD HYP A 3 8.255 -5.282 -7.068 1.00 88.27 C +HETATM 19 OD1 HYP A 3 9.118 -4.764 -4.876 1.00 86.82 O +ATOM 20 N GLY A 4 4.130 -5.955 -4.933 1.00 92.74 N +ATOM 21 CA GLY A 4 2.712 -5.972 -5.142 1.00 92.25 C +ATOM 22 C GLY A 4 2.205 -4.575 -5.444 1.00 93.22 C +ATOM 23 O GLY A 4 2.938 -3.593 -5.353 1.00 93.04 O +ATOM 24 N PRO A 5 0.930 -4.470 -5.811 1.00 91.11 N +ATOM 25 CA PRO A 5 0.352 -3.174 -6.130 1.00 91.67 C +ATOM 26 C PRO A 5 0.166 -2.318 -4.884 1.00 91.30 C +ATOM 27 O PRO A 5 0.181 -2.819 -3.764 1.00 90.09 O +ATOM 28 CB PRO A 5 -0.983 -3.534 -6.768 1.00 89.59 C +ATOM 29 CG PRO A 5 -1.342 -4.816 -6.096 1.00 87.67 C +ATOM 30 CD PRO A 5 -0.036 -5.546 -5.956 1.00 89.86 C +HETATM 31 N HYP A 6 0.021 -1.010 -5.101 1.00 90.97 N +HETATM 32 CA HYP A 6 -0.294 -0.125 -4.015 1.00 93.05 C +HETATM 33 C HYP A 6 -1.543 -0.531 -3.288 1.00 91.89 C +HETATM 34 O HYP A 6 -2.455 -1.131 -3.901 1.00 92.15 O +HETATM 35 CB HYP A 6 -0.518 1.221 -4.742 1.00 88.01 C +HETATM 36 CG HYP A 6 0.337 1.106 -5.976 1.00 87.11 C +HETATM 37 CD HYP A 6 0.161 -0.359 -6.360 1.00 89.54 C +HETATM 38 OD1 HYP A 6 1.674 1.350 -5.635 1.00 87.89 O +ATOM 39 N GLY A 7 -1.582 -0.296 -2.029 1.00 93.11 N +ATOM 40 CA GLY A 7 -2.741 -0.600 -1.237 1.00 92.66 C +ATOM 41 C GLY A 7 -3.909 0.266 -1.659 1.00 93.00 C +ATOM 42 O GLY A 7 -3.760 1.209 -2.435 1.00 92.62 O +ATOM 43 N PRO A 8 -5.088 -0.053 -1.166 1.00 92.50 N +ATOM 44 CA PRO A 8 -6.269 0.718 -1.536 1.00 92.36 C +ATOM 45 C PRO A 8 -6.240 2.114 -0.932 1.00 92.11 C +ATOM 46 O PRO A 8 -5.606 2.359 0.084 1.00 89.93 O +ATOM 47 CB PRO A 8 -7.422 -0.118 -0.989 1.00 89.83 C +ATOM 48 CG PRO A 8 -6.820 -0.841 0.159 1.00 88.81 C +ATOM 49 CD PRO A 8 -5.408 -1.161 -0.277 1.00 91.13 C +HETATM 50 N HYP A 9 -6.958 3.034 -1.575 1.00 89.98 N +HETATM 51 CA HYP A 9 -7.057 4.372 -1.096 1.00 89.39 C +HETATM 52 C HYP A 9 -7.787 4.418 0.225 1.00 90.79 C +HETATM 53 O HYP A 9 -8.741 3.659 0.457 1.00 89.88 O +HETATM 54 CB HYP A 9 -7.954 5.066 -2.158 1.00 86.86 C +HETATM 55 CG HYP A 9 -7.830 4.249 -3.387 1.00 85.73 C +HETATM 56 CD HYP A 9 -7.616 2.857 -2.889 1.00 89.15 C +HETATM 57 OD1 HYP A 9 -6.659 4.667 -4.062 1.00 84.59 O +ATOM 58 N GLY A 10 -7.376 5.231 1.112 1.00 90.90 N +ATOM 59 CA GLY A 10 -8.109 5.448 2.331 1.00 88.25 C +ATOM 60 C GLY A 10 -9.296 6.332 2.016 1.00 88.04 C +ATOM 61 O GLY A 10 -9.370 6.940 0.949 1.00 87.14 O +ATOM 62 N SER A 11 -10.212 6.417 2.940 1.00 89.54 N +ATOM 63 CA SER A 11 -11.374 7.266 2.727 1.00 90.63 C +ATOM 64 C SER A 11 -10.953 8.724 2.576 1.00 91.14 C +ATOM 65 O SER A 11 -11.660 9.529 1.969 1.00 87.73 O +ATOM 66 CB SER A 11 -12.360 7.125 3.883 1.00 86.33 C +ATOM 67 OG SER A 11 -11.747 7.451 5.103 1.00 79.98 O +ATOM 68 N GLU A 12 -9.809 9.035 3.133 1.00 88.44 N +ATOM 69 CA GLU A 12 -9.272 10.389 3.043 1.00 90.20 C +ATOM 70 C GLU A 12 -7.748 10.335 3.043 1.00 89.45 C +ATOM 71 O GLU A 12 -7.074 11.135 3.689 1.00 84.65 O +ATOM 72 CB GLU A 12 -9.792 11.251 4.202 1.00 87.42 C +ATOM 73 CG GLU A 12 -9.565 10.653 5.564 1.00 80.21 C +ATOM 74 CD GLU A 12 -10.209 11.483 6.667 1.00 75.60 C +ATOM 75 OE1 GLU A 12 -11.445 11.414 6.821 1.00 70.26 O +ATOM 76 OE2 GLU A 12 -9.472 12.206 7.362 1.00 72.04 O +ATOM 77 N GLY A 13 -7.206 9.394 2.311 1.00 93.16 N +ATOM 78 CA GLY A 13 -5.774 9.213 2.286 1.00 92.07 C +ATOM 79 C GLY A 13 -5.298 8.556 1.011 1.00 92.61 C +ATOM 80 O GLY A 13 -6.096 8.046 0.224 1.00 92.11 O +ATOM 81 N PRO A 14 -3.996 8.571 0.791 1.00 92.23 N +ATOM 82 CA PRO A 14 -3.407 8.001 -0.410 1.00 92.57 C +ATOM 83 C PRO A 14 -3.387 6.480 -0.375 1.00 92.82 C +ATOM 84 O PRO A 14 -3.644 5.864 0.651 1.00 90.99 O +ATOM 85 CB PRO A 14 -1.993 8.573 -0.407 1.00 90.70 C +ATOM 86 CG PRO A 14 -1.674 8.674 1.046 1.00 89.41 C +ATOM 87 CD PRO A 14 -2.967 9.146 1.669 1.00 90.65 C +HETATM 88 N HYP A 15 -3.072 5.942 -1.517 1.00 91.68 N +HETATM 89 CA HYP A 15 -2.911 4.509 -1.594 1.00 91.95 C +HETATM 90 C HYP A 15 -1.824 4.046 -0.669 1.00 91.85 C +HETATM 91 O HYP A 15 -0.882 4.809 -0.367 1.00 92.40 O +HETATM 92 CB HYP A 15 -2.471 4.337 -3.074 1.00 88.27 C +HETATM 93 CG HYP A 15 -3.061 5.523 -3.800 1.00 86.22 C +HETATM 94 CD HYP A 15 -2.926 6.646 -2.798 1.00 89.71 C +HETATM 95 OD1 HYP A 15 -4.405 5.287 -4.072 1.00 87.97 O +ATOM 96 N GLY A 16 -1.948 2.847 -0.225 1.00 93.34 N +ATOM 97 CA GLY A 16 -0.923 2.278 0.604 1.00 93.39 C +ATOM 98 C GLY A 16 0.318 1.997 -0.221 1.00 94.03 C +ATOM 99 O GLY A 16 0.308 2.138 -1.449 1.00 93.79 O +ATOM 100 N PRO A 17 1.389 1.597 0.434 1.00 90.72 N +ATOM 101 CA PRO A 17 2.628 1.303 -0.273 1.00 91.16 C +ATOM 102 C PRO A 17 2.510 0.016 -1.081 1.00 91.82 C +ATOM 103 O PRO A 17 1.607 -0.783 -0.862 1.00 90.50 O +ATOM 104 CB PRO A 17 3.653 1.186 0.847 1.00 89.01 C +ATOM 105 CG PRO A 17 2.850 0.691 1.999 1.00 87.28 C +ATOM 106 CD PRO A 17 1.534 1.412 1.879 1.00 88.83 C +HETATM 107 N HYP A 18 3.436 -0.147 -2.010 1.00 88.65 N +HETATM 108 CA HYP A 18 3.479 -1.383 -2.739 1.00 88.67 C +HETATM 109 C HYP A 18 3.650 -2.561 -1.839 1.00 90.55 C +HETATM 110 O HYP A 18 4.273 -2.454 -0.764 1.00 90.12 O +HETATM 111 CB HYP A 18 4.737 -1.168 -3.613 1.00 87.34 C +HETATM 112 CG HYP A 18 4.815 0.326 -3.818 1.00 85.81 C +HETATM 113 CD HYP A 18 4.375 0.847 -2.450 1.00 89.12 C +HETATM 114 OD1 HYP A 18 3.882 0.711 -4.797 1.00 88.34 O +ATOM 115 N GLY A 19 3.096 -3.652 -2.228 1.00 88.62 N +ATOM 116 CA GLY A 19 3.222 -4.864 -1.471 1.00 88.66 C +ATOM 117 C GLY A 19 4.646 -5.373 -1.514 1.00 89.32 C +ATOM 118 O GLY A 19 5.488 -4.842 -2.241 1.00 89.71 O +ATOM 119 N PRO A 20 4.925 -6.403 -0.746 1.00 82.81 N +ATOM 120 CA PRO A 20 6.271 -6.959 -0.719 1.00 84.18 C +ATOM 121 C PRO A 20 6.601 -7.694 -2.001 1.00 83.51 C +ATOM 122 O PRO A 20 5.713 -8.067 -2.761 1.00 84.62 O +ATOM 123 CB PRO A 20 6.227 -7.904 0.476 1.00 81.53 C +ATOM 124 CG PRO A 20 4.804 -8.338 0.512 1.00 77.85 C +ATOM 125 CD PRO A 20 4.020 -7.108 0.142 1.00 80.15 C +HETATM 126 N HYP A 21 7.887 -7.875 -2.238 1.00 89.56 N +HETATM 127 CA HYP A 21 8.296 -8.644 -3.376 1.00 84.79 C +HETATM 128 C HYP A 21 7.738 -10.050 -3.374 1.00 88.99 C +HETATM 129 O HYP A 21 7.586 -10.620 -2.293 1.00 89.92 O +HETATM 130 CB HYP A 21 9.810 -8.675 -3.313 1.00 85.40 C +HETATM 131 CG HYP A 21 10.189 -7.457 -2.507 1.00 79.85 C +HETATM 132 CD HYP A 21 9.033 -7.332 -1.503 1.00 86.63 C +HETATM 133 OD1 HYP A 21 10.177 -6.320 -3.362 1.00 82.23 O +ATOM 134 N GLY A 22 7.356 -10.519 -4.502 1.00 84.24 N +ATOM 135 CA GLY A 22 6.849 -11.854 -4.605 1.00 81.68 C +ATOM 136 C GLY A 22 7.987 -12.844 -4.439 1.00 81.60 C +ATOM 137 O GLY A 22 9.152 -12.460 -4.342 1.00 82.33 O +ATOM 138 N PRO A 23 7.680 -14.129 -4.437 1.00 89.43 N +ATOM 139 CA PRO A 23 8.721 -15.144 -4.308 1.00 90.18 C +ATOM 140 C PRO A 23 9.637 -15.090 -5.511 1.00 88.64 C +ATOM 141 O PRO A 23 9.196 -15.339 -6.631 1.00 84.57 O +ATOM 142 CB PRO A 23 7.948 -16.458 -4.262 1.00 86.28 C +ATOM 143 CG PRO A 23 6.556 -16.061 -3.959 1.00 82.34 C +ATOM 144 CD PRO A 23 6.366 -14.710 -4.559 1.00 85.73 C +HETATM 145 N HYP A 24 10.778 -14.696 -5.420 1.00 92.29 N +HETATM 146 CA HYP A 24 11.647 -14.256 -6.592 1.00 87.31 C +HETATM 147 C HYP A 24 11.225 -13.255 -7.417 1.00 92.06 C +HETATM 148 O HYP A 24 11.774 -12.079 -7.533 1.00 90.40 O +HETATM 149 CB HYP A 24 12.991 -14.460 -6.068 1.00 84.71 C +HETATM 150 CG HYP A 24 12.837 -15.635 -5.042 1.00 85.46 C +HETATM 151 CD HYP A 24 11.422 -15.488 -4.489 1.00 90.71 C +HETATM 152 OD1 HYP A 24 13.750 -15.494 -3.986 1.00 86.05 O +HETATM 153 OXT HYP A 24 10.659 -13.627 -8.539 1.00 88.48 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_3.txt b/protein_pdb_3.txt new file mode 100644 index 0000000000000000000000000000000000000000..05b5bec2982e6abc019bf7790a7a0757d4c91486 --- /dev/null +++ b/protein_pdb_3.txt @@ -0,0 +1,174 @@ +ATOM 1 N GLY A 1 20.651 -13.897 29.382 1.00 81.12 N +ATOM 2 CA GLY A 1 21.023 -12.655 28.711 1.00 84.91 C +ATOM 3 C GLY A 1 19.816 -11.792 28.433 1.00 85.52 C +ATOM 4 O GLY A 1 18.677 -12.246 28.564 1.00 81.90 O +ATOM 5 N PRO A 2 20.026 -10.545 28.047 1.00 80.84 N +ATOM 6 CA PRO A 2 18.908 -9.648 27.758 1.00 85.77 C +ATOM 7 C PRO A 2 18.187 -10.055 26.479 1.00 85.64 C +ATOM 8 O PRO A 2 18.754 -10.701 25.607 1.00 82.75 O +ATOM 9 CB PRO A 2 19.567 -8.276 27.606 1.00 81.70 C +ATOM 10 CG PRO A 2 20.942 -8.600 27.145 1.00 78.08 C +ATOM 11 CD PRO A 2 21.315 -9.884 27.848 1.00 79.17 C +HETATM 12 N HYP A 3 17.006 -9.692 26.409 1.00 87.78 N +HETATM 13 CA HYP A 3 16.173 -9.914 25.188 1.00 86.26 C +HETATM 14 C HYP A 3 16.759 -9.201 23.985 1.00 89.29 C +HETATM 15 O HYP A 3 17.368 -8.132 24.087 1.00 87.42 O +HETATM 16 CB HYP A 3 14.848 -9.286 25.600 1.00 87.88 C +HETATM 17 CG HYP A 3 14.813 -9.320 27.096 1.00 85.95 C +HETATM 18 CD HYP A 3 16.305 -9.047 27.470 1.00 88.27 C +HETATM 19 OD1 HYP A 3 14.491 -10.604 27.593 1.00 86.66 O +ATOM 20 N GLY A 4 16.606 -9.840 22.824 1.00 90.93 N +ATOM 21 CA GLY A 4 17.069 -9.234 21.599 1.00 90.47 C +ATOM 22 C GLY A 4 16.187 -8.064 21.205 1.00 90.52 C +ATOM 23 O GLY A 4 15.106 -7.862 21.768 1.00 89.48 O +ATOM 24 N PRO A 5 16.637 -7.276 20.247 1.00 90.53 N +ATOM 25 CA PRO A 5 15.843 -6.136 19.791 1.00 90.96 C +ATOM 26 C PRO A 5 14.613 -6.595 19.024 1.00 90.53 C +ATOM 27 O PRO A 5 14.558 -7.711 18.523 1.00 88.96 O +ATOM 28 CB PRO A 5 16.807 -5.357 18.897 1.00 88.62 C +ATOM 29 CG PRO A 5 17.714 -6.415 18.365 1.00 87.23 C +ATOM 30 CD PRO A 5 17.887 -7.395 19.501 1.00 88.81 C +HETATM 31 N HYP A 6 13.636 -5.727 18.963 1.00 89.45 N +HETATM 32 CA HYP A 6 12.471 -6.015 18.102 1.00 91.49 C +HETATM 33 C HYP A 6 12.847 -6.246 16.693 1.00 89.05 C +HETATM 34 O HYP A 6 13.823 -5.688 16.192 1.00 89.11 O +HETATM 35 CB HYP A 6 11.582 -4.746 18.305 1.00 89.60 C +HETATM 36 CG HYP A 6 11.963 -4.253 19.665 1.00 87.78 C +HETATM 37 CD HYP A 6 13.474 -4.518 19.724 1.00 89.62 C +HETATM 38 OD1 HYP A 6 11.319 -4.987 20.674 1.00 87.62 O +ATOM 39 N GLY A 7 12.103 -7.139 16.002 1.00 92.44 N +ATOM 40 CA GLY A 7 12.359 -7.449 14.613 1.00 91.58 C +ATOM 41 C GLY A 7 12.125 -6.250 13.719 1.00 91.42 C +ATOM 42 O GLY A 7 11.572 -5.228 14.140 1.00 90.36 O +ATOM 43 N PRO A 8 12.535 -6.361 12.461 1.00 90.10 N +ATOM 44 CA PRO A 8 12.351 -5.255 11.527 1.00 90.15 C +ATOM 45 C PRO A 8 10.880 -5.071 11.179 1.00 90.14 C +ATOM 46 O PRO A 8 10.073 -5.978 11.322 1.00 87.97 O +ATOM 47 CB PRO A 8 13.162 -5.684 10.304 1.00 87.90 C +ATOM 48 CG PRO A 8 13.120 -7.166 10.368 1.00 87.14 C +ATOM 49 CD PRO A 8 13.173 -7.506 11.838 1.00 88.65 C +HETATM 50 N HYP A 9 10.524 -3.903 10.723 1.00 90.37 N +HETATM 51 CA HYP A 9 9.186 -3.626 10.231 1.00 91.05 C +HETATM 52 C HYP A 9 8.809 -4.556 9.113 1.00 91.59 C +HETATM 53 O HYP A 9 9.681 -4.977 8.328 1.00 89.71 O +HETATM 54 CB HYP A 9 9.309 -2.162 9.730 1.00 89.88 C +HETATM 55 CG HYP A 9 10.398 -1.588 10.568 1.00 87.80 C +HETATM 56 CD HYP A 9 11.375 -2.767 10.691 1.00 89.92 C +HETATM 57 OD1 HYP A 9 9.942 -1.248 11.866 1.00 86.87 O +ATOM 58 N GLY A 10 7.532 -4.887 9.025 1.00 92.52 N +ATOM 59 CA GLY A 10 7.047 -5.737 7.965 1.00 91.17 C +ATOM 60 C GLY A 10 7.207 -5.070 6.608 1.00 91.32 C +ATOM 61 O GLY A 10 7.539 -3.887 6.513 1.00 90.26 O +ATOM 62 N PRO A 11 6.960 -5.828 5.540 1.00 91.51 N +ATOM 63 CA PRO A 11 7.082 -5.268 4.198 1.00 91.05 C +ATOM 64 C PRO A 11 5.994 -4.241 3.929 1.00 91.12 C +ATOM 65 O PRO A 11 4.958 -4.231 4.576 1.00 89.19 O +ATOM 66 CB PRO A 11 6.937 -6.484 3.293 1.00 89.07 C +ATOM 67 CG PRO A 11 6.105 -7.421 4.092 1.00 89.02 C +ATOM 68 CD PRO A 11 6.541 -7.223 5.518 1.00 90.22 C +HETATM 69 N HYP A 12 6.220 -3.394 2.974 1.00 92.86 N +HETATM 70 CA HYP A 12 5.218 -2.417 2.561 1.00 92.08 C +HETATM 71 C HYP A 12 3.928 -3.084 2.167 1.00 93.37 C +HETATM 72 O HYP A 12 3.941 -4.220 1.656 1.00 91.65 O +HETATM 73 CB HYP A 12 5.904 -1.752 1.320 1.00 90.06 C +HETATM 74 CG HYP A 12 7.370 -1.919 1.583 1.00 88.13 C +HETATM 75 CD HYP A 12 7.436 -3.297 2.243 1.00 91.50 C +HETATM 76 OD1 HYP A 12 7.831 -0.955 2.524 1.00 87.89 O +ATOM 77 N GLY A 13 2.822 -2.411 2.449 1.00 93.61 N +ATOM 78 CA GLY A 13 1.530 -2.928 2.065 1.00 92.66 C +ATOM 79 C GLY A 13 1.391 -2.962 0.557 1.00 93.01 C +ATOM 80 O GLY A 13 2.209 -2.398 -0.174 1.00 92.40 O +ATOM 81 N PRO A 14 0.338 -3.629 0.070 1.00 92.60 N +ATOM 82 CA PRO A 14 0.118 -3.701 -1.373 1.00 92.58 C +ATOM 83 C PRO A 14 -0.260 -2.337 -1.938 1.00 92.81 C +ATOM 84 O PRO A 14 -0.756 -1.477 -1.225 1.00 91.09 O +ATOM 85 CB PRO A 14 -1.020 -4.701 -1.505 1.00 90.94 C +ATOM 86 CG PRO A 14 -1.759 -4.575 -0.224 1.00 90.07 C +ATOM 87 CD PRO A 14 -0.703 -4.327 0.820 1.00 91.12 C +HETATM 88 N HYP A 15 -0.039 -2.129 -3.225 1.00 92.46 N +HETATM 89 CA HYP A 15 -0.461 -0.902 -3.887 1.00 91.37 C +HETATM 90 C HYP A 15 -1.954 -0.691 -3.804 1.00 92.76 C +HETATM 91 O HYP A 15 -2.723 -1.661 -3.734 1.00 90.53 O +HETATM 92 CB HYP A 15 -0.066 -1.198 -5.364 1.00 88.79 C +HETATM 93 CG HYP A 15 1.060 -2.162 -5.249 1.00 87.03 C +HETATM 94 CD HYP A 15 0.658 -3.026 -4.070 1.00 90.38 C +HETATM 95 OD1 HYP A 15 2.275 -1.510 -4.942 1.00 88.12 O +ATOM 96 N GLY A 16 -2.355 0.541 -3.697 1.00 92.11 N +ATOM 97 CA GLY A 16 -3.758 0.843 -3.663 1.00 90.56 C +ATOM 98 C GLY A 16 -4.431 0.438 -4.959 1.00 91.54 C +ATOM 99 O GLY A 16 -3.764 0.209 -5.976 1.00 91.61 O +ATOM 100 N PRO A 17 -5.761 0.346 -4.946 1.00 90.60 N +ATOM 101 CA PRO A 17 -6.474 -0.020 -6.161 1.00 90.99 C +ATOM 102 C PRO A 17 -6.433 1.107 -7.181 1.00 91.14 C +ATOM 103 O PRO A 17 -6.247 2.265 -6.829 1.00 89.20 O +ATOM 104 CB PRO A 17 -7.897 -0.283 -5.666 1.00 89.39 C +ATOM 105 CG PRO A 17 -8.019 0.589 -4.473 1.00 88.25 C +ATOM 106 CD PRO A 17 -6.665 0.557 -3.811 1.00 89.58 C +HETATM 107 N HYP A 18 -6.607 0.775 -8.450 1.00 90.05 N +HETATM 108 CA HYP A 18 -6.704 1.793 -9.486 1.00 90.78 C +HETATM 109 C HYP A 18 -7.865 2.731 -9.241 1.00 89.75 C +HETATM 110 O HYP A 18 -8.869 2.351 -8.624 1.00 91.27 O +HETATM 111 CB HYP A 18 -6.966 0.938 -10.741 1.00 89.35 C +HETATM 112 CG HYP A 18 -6.349 -0.375 -10.428 1.00 85.91 C +HETATM 113 CD HYP A 18 -6.643 -0.556 -8.964 1.00 90.83 C +HETATM 114 OD1 HYP A 18 -4.945 -0.366 -10.615 1.00 89.01 O +ATOM 115 N GLY A 19 -7.726 3.964 -9.643 1.00 90.83 N +ATOM 116 CA GLY A 19 -8.799 4.909 -9.522 1.00 89.28 C +ATOM 117 C GLY A 19 -9.993 4.480 -10.361 1.00 90.12 C +ATOM 118 O GLY A 19 -9.875 3.620 -11.239 1.00 90.33 O +ATOM 119 N PRO A 20 -11.145 5.088 -10.111 1.00 88.64 N +ATOM 120 CA PRO A 20 -12.333 4.732 -10.874 1.00 89.06 C +ATOM 121 C PRO A 20 -12.234 5.212 -12.313 1.00 89.01 C +ATOM 122 O PRO A 20 -11.504 6.156 -12.612 1.00 87.46 O +ATOM 123 CB PRO A 20 -13.462 5.433 -10.118 1.00 86.61 C +ATOM 124 CG PRO A 20 -12.793 6.599 -9.485 1.00 85.12 C +ATOM 125 CD PRO A 20 -11.416 6.109 -9.105 1.00 87.00 C +HETATM 126 N HYP A 21 -12.955 4.579 -13.218 1.00 92.09 N +HETATM 127 CA HYP A 21 -13.020 5.027 -14.600 1.00 91.49 C +HETATM 128 C HYP A 21 -13.558 6.440 -14.719 1.00 91.57 C +HETATM 129 O HYP A 21 -14.383 6.854 -13.891 1.00 90.95 O +HETATM 130 CB HYP A 21 -14.012 4.039 -15.235 1.00 91.46 C +HETATM 131 CG HYP A 21 -13.929 2.803 -14.390 1.00 90.88 C +HETATM 132 CD HYP A 21 -13.709 3.364 -13.009 1.00 92.11 C +HETATM 133 OD1 HYP A 21 -12.801 2.024 -14.746 1.00 89.25 O +ATOM 134 N GLY A 22 -13.111 7.174 -15.678 1.00 91.21 N +ATOM 135 CA GLY A 22 -13.624 8.490 -15.924 1.00 90.08 C +ATOM 136 C GLY A 22 -15.087 8.430 -16.341 1.00 90.12 C +ATOM 137 O GLY A 22 -15.600 7.366 -16.700 1.00 89.35 O +ATOM 138 N PRO A 23 -15.762 9.567 -16.328 1.00 85.70 N +ATOM 139 CA PRO A 23 -17.168 9.585 -16.725 1.00 85.39 C +ATOM 140 C PRO A 23 -17.307 9.390 -18.223 1.00 84.84 C +ATOM 141 O PRO A 23 -16.378 9.639 -18.987 1.00 82.30 O +ATOM 142 CB PRO A 23 -17.635 10.973 -16.286 1.00 81.42 C +ATOM 143 CG PRO A 23 -16.398 11.797 -16.348 1.00 79.20 C +ATOM 144 CD PRO A 23 -15.280 10.875 -15.911 1.00 81.43 C +HETATM 145 N HYP A 24 -18.481 8.960 -18.696 1.00 90.59 N +HETATM 146 CA HYP A 24 -18.732 8.809 -20.088 1.00 90.57 C +HETATM 147 C HYP A 24 -18.602 10.126 -20.836 1.00 92.39 C +HETATM 148 O HYP A 24 -18.875 11.188 -20.284 1.00 89.82 O +HETATM 149 CB HYP A 24 -20.189 8.340 -20.131 1.00 90.99 C +HETATM 150 CG HYP A 24 -20.420 7.684 -18.809 1.00 89.75 C +HETATM 151 CD HYP A 24 -19.554 8.509 -17.861 1.00 90.79 C +HETATM 152 OD1 HYP A 24 -19.922 6.349 -18.807 1.00 87.64 O +ATOM 153 N GLY A 25 -18.173 10.074 -22.073 1.00 84.54 N +ATOM 154 CA GLY A 25 -18.089 11.262 -22.890 1.00 82.19 C +ATOM 155 C GLY A 25 -19.480 11.824 -23.154 1.00 81.02 C +ATOM 156 O GLY A 25 -20.489 11.133 -22.975 1.00 78.89 O +ATOM 157 N PRO A 26 -19.550 13.068 -23.613 1.00 83.34 N +ATOM 158 CA PRO A 26 -20.848 13.673 -23.890 1.00 84.37 C +ATOM 159 C PRO A 26 -21.457 13.096 -25.152 1.00 83.84 C +ATOM 160 O PRO A 26 -20.762 12.550 -26.007 1.00 79.14 O +ATOM 161 CB PRO A 26 -20.518 15.153 -24.050 1.00 79.37 C +ATOM 162 CG PRO A 26 -19.127 15.135 -24.572 1.00 75.95 C +ATOM 163 CD PRO A 26 -18.449 13.981 -23.879 1.00 77.35 C +HETATM 164 N HYP A 27 -22.752 13.267 -25.325 1.00 86.95 N +HETATM 165 CA HYP A 27 -23.343 12.833 -26.581 1.00 85.04 C +HETATM 166 C HYP A 27 -22.919 13.776 -27.737 1.00 87.16 C +HETATM 167 O HYP A 27 -22.294 14.774 -27.420 1.00 83.47 O +HETATM 168 CB HYP A 27 -24.878 13.099 -26.385 1.00 87.63 C +HETATM 169 CG HYP A 27 -25.090 13.158 -24.914 1.00 85.46 C +HETATM 170 CD HYP A 27 -23.763 13.697 -24.367 1.00 85.84 C +HETATM 171 OD1 HYP A 27 -25.282 11.840 -24.449 1.00 80.28 O +HETATM 172 OXT HYP A 27 -23.257 13.518 -28.867 1.00 77.23 O +TER 173 HYP A 27 +END diff --git a/protein_pdb_30.txt b/protein_pdb_30.txt new file mode 100644 index 0000000000000000000000000000000000000000..55f7e5194fc3684774e4fab54428dc1946386a51 --- /dev/null +++ b/protein_pdb_30.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 4.588 7.280 11.462 1.00 71.84 N +ATOM 2 CA GLY A 1 4.424 7.982 10.200 1.00 76.01 C +ATOM 3 C GLY A 1 3.177 7.535 9.481 1.00 77.30 C +ATOM 4 O GLY A 1 2.435 6.688 9.981 1.00 74.71 O +ATOM 5 N PRO A 2 2.935 8.082 8.326 1.00 73.44 N +ATOM 6 CA PRO A 2 1.745 7.719 7.579 1.00 78.35 C +ATOM 7 C PRO A 2 1.835 6.307 7.041 1.00 78.63 C +ATOM 8 O PRO A 2 2.906 5.730 6.945 1.00 76.73 O +ATOM 9 CB PRO A 2 1.707 8.742 6.440 1.00 74.26 C +ATOM 10 CG PRO A 2 3.127 9.099 6.236 1.00 68.72 C +ATOM 11 CD PRO A 2 3.766 9.054 7.597 1.00 68.49 C +HETATM 12 N HYP A 3 0.735 5.821 6.744 1.00 76.05 N +HETATM 13 CA HYP A 3 0.662 4.520 6.089 1.00 79.88 C +HETATM 14 C HYP A 3 1.492 4.485 4.868 1.00 78.78 C +HETATM 15 O HYP A 3 1.627 5.516 4.133 1.00 83.56 O +HETATM 16 CB HYP A 3 -0.853 4.456 5.736 1.00 80.54 C +HETATM 17 CG HYP A 3 -1.531 5.330 6.748 1.00 76.15 C +HETATM 18 CD HYP A 3 -0.537 6.498 6.909 1.00 77.18 C +HETATM 19 OD1 HYP A 3 -1.651 4.655 7.965 1.00 81.68 O +ATOM 20 N GLY A 4 2.103 3.363 4.620 1.00 86.51 N +ATOM 21 CA GLY A 4 2.857 3.194 3.405 1.00 85.17 C +ATOM 22 C GLY A 4 1.946 3.178 2.198 1.00 84.30 C +ATOM 23 O GLY A 4 0.723 3.156 2.316 1.00 82.66 O +ATOM 24 N PRO A 5 2.549 3.183 1.018 1.00 85.14 N +ATOM 25 CA PRO A 5 1.749 3.154 -0.197 1.00 84.59 C +ATOM 26 C PRO A 5 1.056 1.818 -0.359 1.00 83.60 C +ATOM 27 O PRO A 5 1.454 0.823 0.230 1.00 81.21 O +ATOM 28 CB PRO A 5 2.779 3.395 -1.303 1.00 81.04 C +ATOM 29 CG PRO A 5 4.051 2.889 -0.730 1.00 77.99 C +ATOM 30 CD PRO A 5 3.982 3.182 0.743 1.00 80.71 C +HETATM 31 N HYP A 6 0.036 1.819 -1.157 1.00 82.96 N +HETATM 32 CA HYP A 6 -0.634 0.581 -1.481 1.00 86.45 C +HETATM 33 C HYP A 6 0.301 -0.403 -2.076 1.00 85.35 C +HETATM 34 O HYP A 6 1.291 -0.029 -2.759 1.00 85.41 O +HETATM 35 CB HYP A 6 -1.674 1.095 -2.516 1.00 83.19 C +HETATM 36 CG HYP A 6 -1.931 2.535 -2.141 1.00 81.64 C +HETATM 37 CD HYP A 6 -0.563 3.009 -1.761 1.00 83.04 C +HETATM 38 OD1 HYP A 6 -2.799 2.617 -1.037 1.00 83.61 O +ATOM 39 N GLY A 7 0.105 -1.655 -1.752 1.00 85.93 N +ATOM 40 CA GLY A 7 0.901 -2.705 -2.320 1.00 82.65 C +ATOM 41 C GLY A 7 0.674 -2.821 -3.811 1.00 83.54 C +ATOM 42 O GLY A 7 -0.172 -2.132 -4.389 1.00 82.48 O +ATOM 43 N PRO A 8 1.431 -3.689 -4.441 1.00 83.70 N +ATOM 44 CA PRO A 8 1.281 -3.858 -5.878 1.00 83.45 C +ATOM 45 C PRO A 8 -0.055 -4.488 -6.217 1.00 83.32 C +ATOM 46 O PRO A 8 -0.664 -5.174 -5.405 1.00 80.72 O +ATOM 47 CB PRO A 8 2.447 -4.767 -6.258 1.00 79.86 C +ATOM 48 CG PRO A 8 2.760 -5.503 -5.015 1.00 79.20 C +ATOM 49 CD PRO A 8 2.439 -4.568 -3.877 1.00 81.06 C +HETATM 50 N HYP A 9 -0.479 -4.290 -7.427 1.00 77.89 N +HETATM 51 CA HYP A 9 -1.687 -4.850 -7.879 1.00 80.65 C +HETATM 52 C HYP A 9 -1.596 -6.346 -7.930 1.00 80.48 C +HETATM 53 O HYP A 9 -0.549 -6.915 -8.195 1.00 81.42 O +HETATM 54 CB HYP A 9 -1.687 -4.330 -9.361 1.00 78.90 C +HETATM 55 CG HYP A 9 -0.919 -3.050 -9.334 1.00 77.50 C +HETATM 56 CD HYP A 9 0.179 -3.348 -8.373 1.00 81.35 C +HETATM 57 OD1 HYP A 9 -1.713 -2.005 -8.837 1.00 78.36 O +ATOM 58 N GLY A 10 -2.689 -7.014 -7.536 1.00 84.85 N +ATOM 59 CA GLY A 10 -2.764 -8.445 -7.684 1.00 82.59 C +ATOM 60 C GLY A 10 -2.894 -8.794 -9.151 1.00 83.34 C +ATOM 61 O GLY A 10 -2.850 -7.924 -10.028 1.00 80.64 O +ATOM 62 N GLU A 11 -3.052 -10.077 -9.433 1.00 82.72 N +ATOM 63 CA GLU A 11 -3.239 -10.506 -10.808 1.00 85.62 C +ATOM 64 C GLU A 11 -4.577 -9.991 -11.304 1.00 84.28 C +ATOM 65 O GLU A 11 -5.624 -10.491 -10.912 1.00 80.86 O +ATOM 66 CB GLU A 11 -3.187 -12.023 -10.910 1.00 82.68 C +ATOM 67 CG GLU A 11 -1.781 -12.571 -11.045 1.00 76.25 C +ATOM 68 CD GLU A 11 -1.101 -12.097 -12.325 1.00 73.06 C +ATOM 69 OE1 GLU A 11 -0.355 -11.098 -12.249 1.00 69.79 O +ATOM 70 OE2 GLU A 11 -1.331 -12.712 -13.380 1.00 71.24 O +HETATM 71 N HYP A 12 -4.605 -9.012 -12.206 1.00 74.92 N +HETATM 72 CA HYP A 12 -5.705 -8.195 -12.348 1.00 74.08 C +HETATM 73 C HYP A 12 -6.444 -7.792 -11.220 1.00 81.22 C +HETATM 74 O HYP A 12 -7.664 -7.537 -11.219 1.00 80.23 O +HETATM 75 CB HYP A 12 -5.934 -7.735 -13.689 1.00 76.55 C +HETATM 76 CG HYP A 12 -4.666 -8.231 -14.425 1.00 74.77 C +HETATM 77 CD HYP A 12 -3.999 -9.151 -13.450 1.00 76.95 C +HETATM 78 OD1 HYP A 12 -3.810 -7.188 -14.710 1.00 78.03 O +ATOM 79 N GLY A 13 -5.767 -7.696 -10.104 1.00 83.01 N +ATOM 80 CA GLY A 13 -6.376 -7.393 -8.832 1.00 81.38 C +ATOM 81 C GLY A 13 -6.124 -5.966 -8.396 1.00 81.63 C +ATOM 82 O GLY A 13 -5.349 -5.230 -9.005 1.00 80.18 O +ATOM 83 N PRO A 14 -6.789 -5.578 -7.335 1.00 79.50 N +ATOM 84 CA PRO A 14 -6.650 -4.225 -6.825 1.00 80.26 C +ATOM 85 C PRO A 14 -5.307 -4.028 -6.143 1.00 79.51 C +ATOM 86 O PRO A 14 -4.609 -4.982 -5.812 1.00 76.92 O +ATOM 87 CB PRO A 14 -7.792 -4.113 -5.824 1.00 76.99 C +ATOM 88 CG PRO A 14 -7.963 -5.501 -5.319 1.00 75.16 C +ATOM 89 CD PRO A 14 -7.687 -6.393 -6.506 1.00 75.67 C +HETATM 90 N HYP A 15 -5.026 -2.801 -5.931 1.00 79.87 N +HETATM 91 CA HYP A 15 -3.826 -2.490 -5.175 1.00 81.47 C +HETATM 92 C HYP A 15 -3.877 -3.146 -3.826 1.00 82.88 C +HETATM 93 O HYP A 15 -4.967 -3.345 -3.280 1.00 82.66 O +HETATM 94 CB HYP A 15 -4.042 -0.941 -5.035 1.00 80.12 C +HETATM 95 CG HYP A 15 -4.893 -0.538 -6.237 1.00 78.32 C +HETATM 96 CD HYP A 15 -5.854 -1.698 -6.372 1.00 81.25 C +HETATM 97 OD1 HYP A 15 -4.114 -0.430 -7.385 1.00 79.84 O +ATOM 98 N GLY A 16 -2.735 -3.535 -3.352 1.00 85.24 N +ATOM 99 CA GLY A 16 -2.667 -4.113 -2.041 1.00 84.47 C +ATOM 100 C GLY A 16 -3.026 -3.100 -0.971 1.00 85.71 C +ATOM 101 O GLY A 16 -3.212 -1.916 -1.251 1.00 85.03 O +ATOM 102 N PRO A 17 -3.131 -3.577 0.246 1.00 83.33 N +ATOM 103 CA PRO A 17 -3.453 -2.670 1.334 1.00 83.85 C +ATOM 104 C PRO A 17 -2.305 -1.714 1.599 1.00 84.42 C +ATOM 105 O PRO A 17 -1.160 -1.974 1.236 1.00 81.57 O +ATOM 106 CB PRO A 17 -3.699 -3.598 2.517 1.00 80.61 C +ATOM 107 CG PRO A 17 -2.919 -4.817 2.191 1.00 80.21 C +ATOM 108 CD PRO A 17 -2.945 -4.949 0.701 1.00 81.95 C +HETATM 109 N HYP A 18 -2.610 -0.624 2.238 1.00 85.67 N +HETATM 110 CA HYP A 18 -1.602 0.305 2.621 1.00 88.55 C +HETATM 111 C HYP A 18 -0.541 -0.369 3.431 1.00 86.86 C +HETATM 112 O HYP A 18 -0.823 -1.290 4.207 1.00 87.28 O +HETATM 113 CB HYP A 18 -2.374 1.311 3.422 1.00 85.07 C +HETATM 114 CG HYP A 18 -3.768 1.256 2.856 1.00 83.92 C +HETATM 115 CD HYP A 18 -3.934 -0.210 2.585 1.00 86.71 C +HETATM 116 OD1 HYP A 18 -3.843 1.970 1.646 1.00 84.78 O +ATOM 117 N GLY A 19 0.662 0.034 3.216 1.00 86.73 N +ATOM 118 CA GLY A 19 1.760 -0.489 3.973 1.00 86.08 C +ATOM 119 C GLY A 19 1.670 -0.076 5.424 1.00 87.00 C +ATOM 120 O GLY A 19 0.797 0.691 5.827 1.00 86.46 O +ATOM 121 N PRO A 20 2.581 -0.589 6.217 1.00 81.73 N +ATOM 122 CA PRO A 20 2.587 -0.237 7.627 1.00 81.86 C +ATOM 123 C PRO A 20 2.957 1.218 7.825 1.00 81.21 C +ATOM 124 O PRO A 20 3.534 1.863 6.951 1.00 79.50 O +ATOM 125 CB PRO A 20 3.637 -1.173 8.218 1.00 78.35 C +ATOM 126 CG PRO A 20 4.520 -1.507 7.086 1.00 76.07 C +ATOM 127 CD PRO A 20 3.666 -1.494 5.854 1.00 78.12 C +HETATM 128 N HYP A 21 2.622 1.749 8.977 1.00 82.05 N +HETATM 129 CA HYP A 21 2.987 3.065 9.306 1.00 84.56 C +HETATM 130 C HYP A 21 4.488 3.300 9.213 1.00 78.67 C +HETATM 131 O HYP A 21 5.244 2.381 9.504 1.00 83.36 O +HETATM 132 CB HYP A 21 2.497 3.227 10.702 1.00 80.14 C +HETATM 133 CG HYP A 21 1.317 2.290 10.768 1.00 79.15 C +HETATM 134 CD HYP A 21 1.792 1.107 9.960 1.00 84.34 C +HETATM 135 OD1 HYP A 21 0.183 2.853 10.141 1.00 83.67 O +ATOM 136 N GLY A 22 4.844 4.414 8.680 1.00 80.60 N +ATOM 137 CA GLY A 22 6.236 4.746 8.572 1.00 78.19 C +ATOM 138 C GLY A 22 6.866 4.926 9.942 1.00 77.92 C +ATOM 139 O GLY A 22 6.192 4.894 10.972 1.00 76.04 O +ATOM 140 N PRO A 23 8.169 5.134 9.957 1.00 77.01 N +ATOM 141 CA PRO A 23 8.859 5.328 11.221 1.00 79.09 C +ATOM 142 C PRO A 23 8.499 6.674 11.819 1.00 78.42 C +ATOM 143 O PRO A 23 8.033 7.577 11.135 1.00 74.40 O +ATOM 144 CB PRO A 23 10.331 5.265 10.830 1.00 73.41 C +ATOM 145 CG PRO A 23 10.351 5.722 9.423 1.00 70.60 C +ATOM 146 CD PRO A 23 9.070 5.226 8.812 1.00 72.48 C +HETATM 147 N HYP A 24 8.767 6.846 13.060 1.00 82.36 N +HETATM 148 CA HYP A 24 8.438 8.095 13.650 1.00 74.23 C +HETATM 149 C HYP A 24 9.097 9.267 12.972 1.00 79.59 C +HETATM 150 O HYP A 24 10.174 9.028 12.386 1.00 77.74 O +HETATM 151 CB HYP A 24 9.011 7.971 15.078 1.00 76.23 C +HETATM 152 CG HYP A 24 9.200 6.509 15.316 1.00 75.47 C +HETATM 153 CD HYP A 24 9.485 5.924 13.921 1.00 80.91 C +HETATM 154 OD1 HYP A 24 8.000 5.922 15.774 1.00 79.68 O +HETATM 155 OXT HYP A 24 8.548 10.372 13.086 1.00 75.16 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_300.txt b/protein_pdb_300.txt new file mode 100644 index 0000000000000000000000000000000000000000..aabe4a3e6f4b91b03532894e5d6884ba5ec37054 --- /dev/null +++ b/protein_pdb_300.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 0.986 -15.983 -2.745 1.00 92.20 N +ATOM 2 CA GLY A 1 0.916 -15.059 -3.825 1.00 92.82 C +ATOM 3 C GLY A 1 1.899 -13.907 -3.716 1.00 93.74 C +ATOM 4 O GLY A 1 2.562 -13.745 -2.692 1.00 92.63 O +ATOM 5 N PRO A 2 1.972 -13.138 -4.725 1.00 89.62 N +ATOM 6 CA PRO A 2 2.890 -12.017 -4.754 1.00 90.08 C +ATOM 7 C PRO A 2 2.386 -10.837 -3.940 1.00 89.60 C +ATOM 8 O PRO A 2 1.222 -10.788 -3.542 1.00 87.41 O +ATOM 9 CB PRO A 2 2.949 -11.673 -6.241 1.00 87.38 C +ATOM 10 CG PRO A 2 1.600 -12.046 -6.734 1.00 83.77 C +ATOM 11 CD PRO A 2 1.204 -13.267 -5.956 1.00 85.22 C +HETATM 12 N HYP A 3 3.284 -9.902 -3.726 1.00 89.87 N +HETATM 13 CA HYP A 3 2.887 -8.692 -3.026 1.00 87.06 C +HETATM 14 C HYP A 3 1.828 -7.929 -3.803 1.00 90.28 C +HETATM 15 O HYP A 3 1.803 -7.998 -5.044 1.00 92.40 O +HETATM 16 CB HYP A 3 4.208 -7.856 -3.000 1.00 87.90 C +HETATM 17 CG HYP A 3 5.301 -8.912 -3.073 1.00 85.32 C +HETATM 18 CD HYP A 3 4.691 -9.973 -4.018 1.00 88.44 C +HETATM 19 OD1 HYP A 3 5.462 -9.467 -1.798 1.00 85.19 O +ATOM 20 N GLY A 4 0.945 -7.321 -3.092 1.00 92.72 N +ATOM 21 CA GLY A 4 -0.072 -6.516 -3.713 1.00 92.67 C +ATOM 22 C GLY A 4 0.514 -5.259 -4.332 1.00 93.74 C +ATOM 23 O GLY A 4 1.682 -4.935 -4.138 1.00 93.88 O +ATOM 24 N PRO A 5 -0.303 -4.554 -5.095 1.00 91.64 N +ATOM 25 CA PRO A 5 0.166 -3.338 -5.742 1.00 91.69 C +ATOM 26 C PRO A 5 0.393 -2.216 -4.740 1.00 91.50 C +ATOM 27 O PRO A 5 -0.137 -2.235 -3.633 1.00 90.55 O +ATOM 28 CB PRO A 5 -0.971 -2.997 -6.702 1.00 90.66 C +ATOM 29 CG PRO A 5 -2.177 -3.568 -6.039 1.00 88.60 C +ATOM 30 CD PRO A 5 -1.708 -4.826 -5.362 1.00 90.29 C +HETATM 31 N HYP A 6 1.218 -1.238 -5.151 1.00 91.88 N +HETATM 32 CA HYP A 6 1.373 -0.057 -4.346 1.00 91.96 C +HETATM 33 C HYP A 6 0.063 0.653 -4.127 1.00 91.45 C +HETATM 34 O HYP A 6 -0.855 0.575 -4.976 1.00 92.32 O +HETATM 35 CB HYP A 6 2.299 0.822 -5.255 1.00 87.74 C +HETATM 36 CG HYP A 6 3.078 -0.184 -6.065 1.00 86.19 C +HETATM 37 CD HYP A 6 2.035 -1.251 -6.352 1.00 90.39 C +HETATM 38 OD1 HYP A 6 4.098 -0.721 -5.257 1.00 86.72 O +ATOM 39 N GLY A 7 -0.067 1.247 -3.001 1.00 92.62 N +ATOM 40 CA GLY A 7 -1.235 2.035 -2.701 1.00 92.06 C +ATOM 41 C GLY A 7 -1.349 3.227 -3.623 1.00 92.63 C +ATOM 42 O GLY A 7 -0.418 3.573 -4.345 1.00 92.35 O +ATOM 43 N PRO A 8 -2.502 3.854 -3.606 1.00 91.04 N +ATOM 44 CA PRO A 8 -2.715 4.999 -4.473 1.00 90.87 C +ATOM 45 C PRO A 8 -1.930 6.214 -4.007 1.00 90.93 C +ATOM 46 O PRO A 8 -1.565 6.329 -2.838 1.00 89.61 O +ATOM 47 CB PRO A 8 -4.216 5.239 -4.377 1.00 89.34 C +ATOM 48 CG PRO A 8 -4.572 4.728 -3.033 1.00 88.52 C +ATOM 49 CD PRO A 8 -3.669 3.551 -2.788 1.00 90.02 C +HETATM 50 N HYP A 9 -1.692 7.141 -4.955 1.00 89.37 N +HETATM 51 CA HYP A 9 -1.056 8.360 -4.607 1.00 85.49 C +HETATM 52 C HYP A 9 -1.937 9.175 -3.701 1.00 90.75 C +HETATM 53 O HYP A 9 -3.176 9.165 -3.817 1.00 89.23 O +HETATM 54 CB HYP A 9 -0.968 9.108 -5.987 1.00 83.82 C +HETATM 55 CG HYP A 9 -1.087 8.048 -7.018 1.00 83.36 C +HETATM 56 CD HYP A 9 -1.964 7.027 -6.413 1.00 88.17 C +HETATM 57 OD1 HYP A 9 0.195 7.476 -7.214 1.00 82.85 O +ATOM 58 N GLY A 10 -1.395 9.819 -2.732 1.00 91.44 N +ATOM 59 CA GLY A 10 -2.114 10.802 -1.966 1.00 89.68 C +ATOM 60 C GLY A 10 -2.344 12.045 -2.802 1.00 89.60 C +ATOM 61 O GLY A 10 -1.839 12.170 -3.916 1.00 87.79 O +ATOM 62 N SER A 11 -3.112 12.963 -2.256 1.00 88.89 N +ATOM 63 CA SER A 11 -3.370 14.194 -2.993 1.00 90.27 C +ATOM 64 C SER A 11 -2.081 14.941 -3.308 1.00 90.92 C +ATOM 65 O SER A 11 -1.993 15.619 -4.337 1.00 88.69 O +ATOM 66 CB SER A 11 -4.323 15.093 -2.207 1.00 87.57 C +ATOM 67 OG SER A 11 -3.786 15.406 -0.952 1.00 78.78 O +ATOM 68 N THR A 12 -1.094 14.806 -2.436 1.00 90.08 N +ATOM 69 CA THR A 12 0.225 15.381 -2.649 1.00 90.85 C +ATOM 70 C THR A 12 1.345 14.397 -2.345 1.00 90.64 C +ATOM 71 O THR A 12 2.520 14.775 -2.371 1.00 87.37 O +ATOM 72 CB THR A 12 0.432 16.641 -1.781 1.00 88.75 C +ATOM 73 OG1 THR A 12 0.348 16.278 -0.406 1.00 85.17 O +ATOM 74 CG2 THR A 12 -0.618 17.705 -2.078 1.00 81.97 C +ATOM 75 N GLY A 13 1.015 13.166 -2.043 1.00 93.99 N +ATOM 76 CA GLY A 13 1.978 12.214 -1.521 1.00 93.01 C +ATOM 77 C GLY A 13 2.246 11.046 -2.437 1.00 93.63 C +ATOM 78 O GLY A 13 1.585 10.860 -3.461 1.00 93.48 O +ATOM 79 N PRO A 14 3.227 10.239 -2.067 1.00 93.82 N +ATOM 80 CA PRO A 14 3.626 9.097 -2.870 1.00 93.85 C +ATOM 81 C PRO A 14 2.664 7.933 -2.739 1.00 94.04 C +ATOM 82 O PRO A 14 1.813 7.903 -1.851 1.00 92.64 O +ATOM 83 CB PRO A 14 4.996 8.730 -2.292 1.00 92.77 C +ATOM 84 CG PRO A 14 4.874 9.098 -0.855 1.00 91.40 C +ATOM 85 CD PRO A 14 4.032 10.346 -0.836 1.00 92.25 C +HETATM 86 N HYP A 15 2.862 6.992 -3.622 1.00 93.07 N +HETATM 87 CA HYP A 15 2.117 5.754 -3.523 1.00 92.48 C +HETATM 88 C HYP A 15 2.432 5.031 -2.246 1.00 94.47 C +HETATM 89 O HYP A 15 3.538 5.163 -1.683 1.00 92.99 O +HETATM 90 CB HYP A 15 2.710 4.954 -4.724 1.00 90.72 C +HETATM 91 CG HYP A 15 3.209 6.012 -5.688 1.00 88.90 C +HETATM 92 CD HYP A 15 3.749 7.073 -4.784 1.00 91.36 C +HETATM 93 OD1 HYP A 15 2.134 6.510 -6.432 1.00 88.64 O +ATOM 94 N GLY A 16 1.466 4.341 -1.752 1.00 94.81 N +ATOM 95 CA GLY A 16 1.690 3.508 -0.598 1.00 94.66 C +ATOM 96 C GLY A 16 2.571 2.324 -0.934 1.00 95.12 C +ATOM 97 O GLY A 16 2.870 2.062 -2.099 1.00 95.08 O +ATOM 98 N PRO A 17 2.987 1.612 0.101 1.00 90.40 N +ATOM 99 CA PRO A 17 3.832 0.444 -0.118 1.00 90.58 C +ATOM 100 C PRO A 17 3.047 -0.701 -0.745 1.00 90.93 C +ATOM 101 O PRO A 17 1.820 -0.718 -0.708 1.00 88.94 O +ATOM 102 CB PRO A 17 4.303 0.092 1.291 1.00 89.62 C +ATOM 103 CG PRO A 17 3.219 0.589 2.174 1.00 88.15 C +ATOM 104 CD PRO A 17 2.691 1.827 1.515 1.00 89.15 C +HETATM 105 N HYP A 18 3.797 -1.647 -1.317 1.00 88.56 N +HETATM 106 CA HYP A 18 3.166 -2.834 -1.798 1.00 87.59 C +HETATM 107 C HYP A 18 2.431 -3.556 -0.726 1.00 90.76 C +HETATM 108 O HYP A 18 2.820 -3.505 0.460 1.00 90.25 O +HETATM 109 CB HYP A 18 4.383 -3.686 -2.264 1.00 86.62 C +HETATM 110 CG HYP A 18 5.443 -2.678 -2.622 1.00 83.67 C +HETATM 111 CD HYP A 18 5.224 -1.614 -1.572 1.00 88.64 C +HETATM 112 OD1 HYP A 18 5.156 -2.144 -3.903 1.00 87.32 O +ATOM 113 N GLY A 19 1.349 -4.159 -1.088 1.00 90.01 N +ATOM 114 CA GLY A 19 0.603 -4.960 -0.167 1.00 89.87 C +ATOM 115 C GLY A 19 1.381 -6.190 0.254 1.00 90.53 C +ATOM 116 O GLY A 19 2.434 -6.502 -0.302 1.00 91.17 O +ATOM 117 N PRO A 20 0.859 -6.899 1.240 1.00 82.41 N +ATOM 118 CA PRO A 20 1.529 -8.099 1.711 1.00 83.78 C +ATOM 119 C PRO A 20 1.423 -9.224 0.697 1.00 82.93 C +ATOM 120 O PRO A 20 0.580 -9.189 -0.194 1.00 83.17 O +ATOM 121 CB PRO A 20 0.770 -8.436 2.989 1.00 82.71 C +ATOM 122 CG PRO A 20 -0.588 -7.887 2.745 1.00 80.21 C +ATOM 123 CD PRO A 20 -0.389 -6.641 1.935 1.00 80.95 C +HETATM 124 N HYP A 21 2.324 -10.194 0.868 1.00 88.38 N +HETATM 125 CA HYP A 21 2.226 -11.369 0.042 1.00 87.25 C +HETATM 126 C HYP A 21 0.888 -12.052 0.176 1.00 88.89 C +HETATM 127 O HYP A 21 0.314 -12.047 1.258 1.00 91.15 O +HETATM 128 CB HYP A 21 3.348 -12.270 0.521 1.00 84.78 C +HETATM 129 CG HYP A 21 4.341 -11.347 1.152 1.00 80.71 C +HETATM 130 CD HYP A 21 3.487 -10.273 1.771 1.00 86.89 C +HETATM 131 OD1 HYP A 21 5.137 -10.753 0.115 1.00 83.95 O +ATOM 132 N GLY A 22 0.360 -12.501 -0.919 1.00 88.64 N +ATOM 133 CA GLY A 22 -0.866 -13.242 -0.904 1.00 86.56 C +ATOM 134 C GLY A 22 -0.673 -14.588 -0.225 1.00 86.74 C +ATOM 135 O GLY A 22 0.452 -14.996 0.066 1.00 86.81 O +ATOM 136 N PRO A 23 -1.766 -15.305 0.016 1.00 92.24 N +ATOM 137 CA PRO A 23 -1.659 -16.616 0.646 1.00 92.26 C +ATOM 138 C PRO A 23 -1.087 -17.629 -0.340 1.00 91.14 C +ATOM 139 O PRO A 23 -1.761 -18.004 -1.299 1.00 88.41 O +ATOM 140 CB PRO A 23 -3.093 -16.928 1.048 1.00 89.96 C +ATOM 141 CG PRO A 23 -3.923 -16.141 0.101 1.00 86.61 C +ATOM 142 CD PRO A 23 -3.129 -14.917 -0.262 1.00 89.44 C +HETATM 143 N HYP A 24 0.130 -17.875 -0.310 1.00 93.66 N +HETATM 144 CA HYP A 24 1.058 -18.351 -1.399 1.00 90.53 C +HETATM 145 C HYP A 24 1.341 -17.549 -2.461 1.00 94.66 C +HETATM 146 O HYP A 24 1.110 -18.028 -3.681 1.00 92.93 O +HETATM 147 CB HYP A 24 1.921 -19.342 -0.748 1.00 89.35 C +HETATM 148 CG HYP A 24 1.118 -19.844 0.464 1.00 88.21 C +HETATM 149 CD HYP A 24 0.069 -18.744 0.747 1.00 91.65 C +HETATM 150 OD1 HYP A 24 1.947 -19.987 1.596 1.00 88.73 O +HETATM 151 OXT HYP A 24 2.657 -17.036 -2.499 1.00 88.49 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_301.txt b/protein_pdb_301.txt new file mode 100644 index 0000000000000000000000000000000000000000..8ea64a734551db0055196f62b07c76ef9071e4a0 --- /dev/null +++ b/protein_pdb_301.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -26.894 -7.606 25.643 1.00 83.24 N +ATOM 2 CA GLY A 1 -25.460 -7.806 25.811 1.00 86.53 C +ATOM 3 C GLY A 1 -24.668 -6.649 25.242 1.00 87.53 C +ATOM 4 O GLY A 1 -25.224 -5.788 24.552 1.00 83.17 O +ATOM 5 N PRO A 2 -23.371 -6.599 25.495 1.00 85.34 N +ATOM 6 CA PRO A 2 -22.531 -5.517 24.975 1.00 88.48 C +ATOM 7 C PRO A 2 -22.374 -5.600 23.465 1.00 88.63 C +ATOM 8 O PRO A 2 -22.531 -6.662 22.871 1.00 85.36 O +ATOM 9 CB PRO A 2 -21.194 -5.720 25.691 1.00 84.79 C +ATOM 10 CG PRO A 2 -21.162 -7.186 25.958 1.00 81.90 C +ATOM 11 CD PRO A 2 -22.593 -7.552 26.278 1.00 82.39 C +HETATM 12 N HYP A 3 -22.136 -4.515 22.893 1.00 91.77 N +HETATM 13 CA HYP A 3 -21.805 -4.444 21.449 1.00 88.76 C +HETATM 14 C HYP A 3 -20.653 -5.346 21.106 1.00 90.98 C +HETATM 15 O HYP A 3 -19.746 -5.600 21.931 1.00 91.43 O +HETATM 16 CB HYP A 3 -21.436 -2.972 21.287 1.00 88.61 C +HETATM 17 CG HYP A 3 -22.165 -2.261 22.386 1.00 88.35 C +HETATM 18 CD HYP A 3 -22.061 -3.228 23.538 1.00 91.55 C +HETATM 19 OD1 HYP A 3 -23.511 -2.050 22.066 1.00 89.45 O +ATOM 20 N GLY A 4 -20.664 -5.871 19.879 1.00 94.10 N +ATOM 21 CA GLY A 4 -19.583 -6.701 19.406 1.00 93.45 C +ATOM 22 C GLY A 4 -18.317 -5.882 19.215 1.00 93.61 C +ATOM 23 O GLY A 4 -18.339 -4.654 19.285 1.00 92.64 O +ATOM 24 N PRO A 5 -17.207 -6.558 18.961 1.00 94.44 N +ATOM 25 CA PRO A 5 -15.939 -5.856 18.769 1.00 94.26 C +ATOM 26 C PRO A 5 -15.934 -5.062 17.477 1.00 94.34 C +ATOM 27 O PRO A 5 -16.672 -5.363 16.544 1.00 93.01 O +ATOM 28 CB PRO A 5 -14.907 -6.980 18.749 1.00 92.52 C +ATOM 29 CG PRO A 5 -15.675 -8.147 18.243 1.00 91.07 C +ATOM 30 CD PRO A 5 -17.058 -8.005 18.839 1.00 92.58 C +HETATM 31 N HYP A 6 -15.128 -4.046 17.433 1.00 94.68 N +HETATM 32 CA HYP A 6 -14.912 -3.298 16.182 1.00 93.78 C +HETATM 33 C HYP A 6 -14.432 -4.168 15.084 1.00 92.67 C +HETATM 34 O HYP A 6 -13.730 -5.180 15.314 1.00 92.24 O +HETATM 35 CB HYP A 6 -13.822 -2.265 16.625 1.00 92.33 C +HETATM 36 CG HYP A 6 -14.034 -2.111 18.093 1.00 90.26 C +HETATM 37 CD HYP A 6 -14.406 -3.501 18.535 1.00 92.80 C +HETATM 38 OD1 HYP A 6 -15.092 -1.217 18.371 1.00 89.17 O +ATOM 39 N GLY A 7 -14.828 -3.835 13.832 1.00 95.22 N +ATOM 40 CA GLY A 7 -14.422 -4.577 12.666 1.00 94.25 C +ATOM 41 C GLY A 7 -12.927 -4.456 12.418 1.00 94.40 C +ATOM 42 O GLY A 7 -12.244 -3.637 13.044 1.00 93.91 O +ATOM 43 N PRO A 8 -12.409 -5.257 11.499 1.00 93.84 N +ATOM 44 CA PRO A 8 -10.985 -5.216 11.193 1.00 93.65 C +ATOM 45 C PRO A 8 -10.611 -3.943 10.453 1.00 93.72 C +ATOM 46 O PRO A 8 -11.448 -3.309 9.817 1.00 92.21 O +ATOM 47 CB PRO A 8 -10.771 -6.455 10.324 1.00 91.95 C +ATOM 48 CG PRO A 8 -12.090 -6.626 9.656 1.00 91.10 C +ATOM 49 CD PRO A 8 -13.116 -6.250 10.700 1.00 92.46 C +HETATM 50 N HYP A 9 -9.395 -3.567 10.504 1.00 93.77 N +HETATM 51 CA HYP A 9 -8.866 -2.447 9.737 1.00 92.37 C +HETATM 52 C HYP A 9 -9.006 -2.648 8.279 1.00 94.28 C +HETATM 53 O HYP A 9 -8.935 -3.781 7.796 1.00 91.56 O +HETATM 54 CB HYP A 9 -7.336 -2.435 10.136 1.00 92.14 C +HETATM 55 CG HYP A 9 -7.311 -3.059 11.494 1.00 90.13 C +HETATM 56 CD HYP A 9 -8.397 -4.115 11.372 1.00 93.56 C +HETATM 57 OD1 HYP A 9 -7.689 -2.124 12.487 1.00 85.99 O +ATOM 58 N GLY A 10 -9.224 -1.565 7.564 1.00 95.21 N +ATOM 59 CA GLY A 10 -9.339 -1.634 6.129 1.00 94.35 C +ATOM 60 C GLY A 10 -8.022 -2.059 5.490 1.00 94.64 C +ATOM 61 O GLY A 10 -6.985 -2.135 6.152 1.00 93.88 O +ATOM 62 N PRO A 11 -8.045 -2.322 4.179 1.00 92.29 N +ATOM 63 CA PRO A 11 -6.820 -2.753 3.501 1.00 91.51 C +ATOM 64 C PRO A 11 -5.814 -1.619 3.364 1.00 90.81 C +ATOM 65 O PRO A 11 -6.163 -0.442 3.379 1.00 87.72 O +ATOM 66 CB PRO A 11 -7.321 -3.216 2.134 1.00 89.71 C +ATOM 67 CG PRO A 11 -8.530 -2.371 1.914 1.00 89.92 C +ATOM 68 CD PRO A 11 -9.176 -2.251 3.273 1.00 91.34 C +ATOM 69 N VAL A 12 -4.548 -2.005 3.229 1.00 93.50 N +ATOM 70 CA VAL A 12 -3.491 -1.036 2.988 1.00 92.72 C +ATOM 71 C VAL A 12 -3.756 -0.378 1.639 1.00 93.32 C +ATOM 72 O VAL A 12 -4.246 -1.028 0.709 1.00 91.96 O +ATOM 73 CB VAL A 12 -2.107 -1.721 3.000 1.00 89.90 C +ATOM 74 CG1 VAL A 12 -1.003 -0.733 2.663 1.00 86.44 C +ATOM 75 CG2 VAL A 12 -1.849 -2.342 4.365 1.00 86.00 C +ATOM 76 N GLY A 13 -3.461 0.908 1.554 1.00 93.97 N +ATOM 77 CA GLY A 13 -3.689 1.634 0.317 1.00 93.44 C +ATOM 78 C GLY A 13 -2.823 1.141 -0.824 1.00 93.91 C +ATOM 79 O GLY A 13 -1.895 0.356 -0.631 1.00 93.49 O +ATOM 80 N PRO A 14 -3.115 1.609 -2.041 1.00 93.91 N +ATOM 81 CA PRO A 14 -2.352 1.175 -3.208 1.00 94.08 C +ATOM 82 C PRO A 14 -0.937 1.723 -3.188 1.00 94.21 C +ATOM 83 O PRO A 14 -0.646 2.716 -2.530 1.00 92.84 O +ATOM 84 CB PRO A 14 -3.153 1.736 -4.384 1.00 92.55 C +ATOM 85 CG PRO A 14 -3.809 2.943 -3.811 1.00 91.61 C +ATOM 86 CD PRO A 14 -4.165 2.552 -2.398 1.00 92.71 C +HETATM 87 N HYP A 15 -0.071 1.103 -3.964 1.00 92.86 N +HETATM 88 CA HYP A 15 1.302 1.563 -4.092 1.00 91.48 C +HETATM 89 C HYP A 15 1.406 2.964 -4.675 1.00 93.88 C +HETATM 90 O HYP A 15 0.531 3.385 -5.456 1.00 89.47 O +HETATM 91 CB HYP A 15 1.877 0.564 -5.105 1.00 89.78 C +HETATM 92 CG HYP A 15 1.027 -0.684 -4.917 1.00 88.06 C +HETATM 93 CD HYP A 15 -0.335 -0.113 -4.682 1.00 92.20 C +HETATM 94 OD1 HYP A 15 1.427 -1.421 -3.806 1.00 90.88 O +ATOM 95 N GLY A 16 2.362 3.696 -4.235 1.00 95.61 N +ATOM 96 CA GLY A 16 2.573 5.007 -4.789 1.00 94.75 C +ATOM 97 C GLY A 16 3.040 4.904 -6.231 1.00 95.23 C +ATOM 98 O GLY A 16 3.341 3.819 -6.731 1.00 94.82 O +ATOM 99 N PRO A 17 3.104 6.050 -6.921 1.00 91.50 N +ATOM 100 CA PRO A 17 3.530 6.036 -8.315 1.00 91.58 C +ATOM 101 C PRO A 17 5.011 5.704 -8.444 1.00 91.52 C +ATOM 102 O PRO A 17 5.793 5.911 -7.525 1.00 90.11 O +ATOM 103 CB PRO A 17 3.230 7.454 -8.794 1.00 89.52 C +ATOM 104 CG PRO A 17 3.339 8.267 -7.551 1.00 88.49 C +ATOM 105 CD PRO A 17 2.776 7.394 -6.457 1.00 90.30 C +HETATM 106 N HYP A 18 5.400 5.195 -9.623 1.00 92.99 N +HETATM 107 CA HYP A 18 6.807 4.943 -9.883 1.00 93.08 C +HETATM 108 C HYP A 18 7.630 6.210 -9.858 1.00 92.75 C +HETATM 109 O HYP A 18 7.143 7.301 -10.228 1.00 92.95 O +HETATM 110 CB HYP A 18 6.775 4.375 -11.308 1.00 92.67 C +HETATM 111 CG HYP A 18 5.418 3.761 -11.461 1.00 91.85 C +HETATM 112 CD HYP A 18 4.541 4.688 -10.684 1.00 92.38 C +HETATM 113 OD1 HYP A 18 5.356 2.480 -10.896 1.00 90.98 O +ATOM 114 N GLY A 19 8.851 6.102 -9.370 1.00 93.60 N +ATOM 115 CA GLY A 19 9.737 7.232 -9.337 1.00 92.89 C +ATOM 116 C GLY A 19 10.130 7.645 -10.746 1.00 93.41 C +ATOM 117 O GLY A 19 9.863 6.929 -11.713 1.00 92.96 O +ATOM 118 N PRO A 20 10.789 8.789 -10.875 1.00 90.61 N +ATOM 119 CA PRO A 20 11.203 9.260 -12.195 1.00 90.45 C +ATOM 120 C PRO A 20 12.345 8.415 -12.744 1.00 90.21 C +ATOM 121 O PRO A 20 13.073 7.771 -11.996 1.00 88.40 O +ATOM 122 CB PRO A 20 11.631 10.700 -11.934 1.00 87.79 C +ATOM 123 CG PRO A 20 12.089 10.678 -10.513 1.00 86.13 C +ATOM 124 CD PRO A 20 11.157 9.722 -9.816 1.00 88.80 C +HETATM 125 N HYP A 21 12.521 8.422 -14.083 1.00 93.96 N +HETATM 126 CA HYP A 21 13.632 7.737 -14.675 1.00 92.08 C +HETATM 127 C HYP A 21 14.979 8.250 -14.229 1.00 95.06 C +HETATM 128 O HYP A 21 15.100 9.441 -13.916 1.00 91.94 O +HETATM 129 CB HYP A 21 13.457 8.048 -16.180 1.00 93.12 C +HETATM 130 CG HYP A 21 12.004 8.311 -16.364 1.00 91.91 C +HETATM 131 CD HYP A 21 11.629 8.998 -15.077 1.00 93.23 C +HETATM 132 OD1 HYP A 21 11.296 7.103 -16.479 1.00 89.80 O +ATOM 133 N GLY A 22 15.958 7.398 -14.100 1.00 89.31 N +ATOM 134 CA GLY A 22 17.284 7.811 -13.725 1.00 88.36 C +ATOM 135 C GLY A 22 17.894 8.700 -14.793 1.00 88.44 C +ATOM 136 O GLY A 22 17.342 8.843 -15.890 1.00 86.93 O +ATOM 137 N PRO A 23 19.062 9.298 -14.519 1.00 87.91 N +ATOM 138 CA PRO A 23 19.700 10.179 -15.495 1.00 87.76 C +ATOM 139 C PRO A 23 20.199 9.392 -16.695 1.00 87.13 C +ATOM 140 O PRO A 23 20.526 8.208 -16.595 1.00 83.24 O +ATOM 141 CB PRO A 23 20.843 10.812 -14.712 1.00 83.49 C +ATOM 142 CG PRO A 23 21.162 9.803 -13.671 1.00 80.57 C +ATOM 143 CD PRO A 23 19.835 9.194 -13.288 1.00 82.80 C +HETATM 144 N HYP A 24 20.338 10.017 -17.850 1.00 89.27 N +HETATM 145 CA HYP A 24 20.808 9.307 -19.009 1.00 86.52 C +HETATM 146 C HYP A 24 22.246 8.873 -18.858 1.00 88.69 C +HETATM 147 O HYP A 24 23.000 9.615 -18.196 1.00 88.96 O +HETATM 148 CB HYP A 24 20.778 10.398 -20.161 1.00 89.32 C +HETATM 149 CG HYP A 24 19.860 11.462 -19.658 1.00 88.33 C +HETATM 150 CD HYP A 24 19.982 11.385 -18.125 1.00 88.81 C +HETATM 151 OD1 HYP A 24 18.539 11.118 -20.007 1.00 84.25 O +HETATM 152 OXT HYP A 24 22.565 7.820 -19.420 1.00 80.81 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_302.txt b/protein_pdb_302.txt new file mode 100644 index 0000000000000000000000000000000000000000..0d4ca04af712f47977d795463e477f9badce9f9e --- /dev/null +++ b/protein_pdb_302.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 5.278 -8.872 -10.252 1.00 89.54 N +ATOM 2 CA GLY A 1 4.570 -7.659 -10.572 1.00 89.93 C +ATOM 3 C GLY A 1 5.081 -6.470 -9.799 1.00 90.53 C +ATOM 4 O GLY A 1 5.930 -6.612 -8.921 1.00 88.70 O +ATOM 5 N PRO A 2 4.515 -5.252 -10.047 1.00 88.04 N +ATOM 6 CA PRO A 2 4.958 -4.034 -9.377 1.00 88.68 C +ATOM 7 C PRO A 2 4.439 -3.954 -7.956 1.00 87.93 C +ATOM 8 O PRO A 2 3.507 -4.650 -7.567 1.00 85.26 O +ATOM 9 CB PRO A 2 4.376 -2.928 -10.246 1.00 85.56 C +ATOM 10 CG PRO A 2 3.160 -3.540 -10.838 1.00 81.29 C +ATOM 11 CD PRO A 2 3.512 -4.981 -11.071 1.00 82.96 C +HETATM 12 N HYP A 3 5.069 -3.073 -7.208 1.00 88.87 N +HETATM 13 CA HYP A 3 4.583 -2.825 -5.839 1.00 88.16 C +HETATM 14 C HYP A 3 3.182 -2.275 -5.856 1.00 88.48 C +HETATM 15 O HYP A 3 2.774 -1.604 -6.820 1.00 91.47 O +HETATM 16 CB HYP A 3 5.556 -1.715 -5.348 1.00 86.57 C +HETATM 17 CG HYP A 3 6.817 -1.955 -6.155 1.00 83.07 C +HETATM 18 CD HYP A 3 6.261 -2.356 -7.553 1.00 87.07 C +HETATM 19 OD1 HYP A 3 7.508 -3.037 -5.607 1.00 84.90 O +ATOM 20 N GLY A 4 2.452 -2.629 -4.820 1.00 90.60 N +ATOM 21 CA GLY A 4 1.114 -2.125 -4.690 1.00 90.15 C +ATOM 22 C GLY A 4 1.095 -0.643 -4.410 1.00 90.71 C +ATOM 23 O GLY A 4 2.130 -0.029 -4.129 1.00 91.10 O +ATOM 24 N PRO A 5 -0.082 -0.040 -4.476 1.00 90.64 N +ATOM 25 CA PRO A 5 -0.212 1.380 -4.225 1.00 90.16 C +ATOM 26 C PRO A 5 -0.070 1.702 -2.749 1.00 89.74 C +ATOM 27 O PRO A 5 -0.154 0.826 -1.897 1.00 88.68 O +ATOM 28 CB PRO A 5 -1.617 1.700 -4.728 1.00 88.82 C +ATOM 29 CG PRO A 5 -2.360 0.430 -4.511 1.00 86.78 C +ATOM 30 CD PRO A 5 -1.366 -0.660 -4.791 1.00 88.65 C +HETATM 31 N HYP A 6 0.156 3.007 -2.481 1.00 90.28 N +HETATM 32 CA HYP A 6 0.192 3.420 -1.107 1.00 92.88 C +HETATM 33 C HYP A 6 -1.091 3.133 -0.393 1.00 90.57 C +HETATM 34 O HYP A 6 -2.177 3.179 -1.013 1.00 91.56 O +HETATM 35 CB HYP A 6 0.401 4.957 -1.251 1.00 86.11 C +HETATM 36 CG HYP A 6 1.104 5.112 -2.575 1.00 86.05 C +HETATM 37 CD HYP A 6 0.412 4.067 -3.434 1.00 89.44 C +HETATM 38 OD1 HYP A 6 2.460 4.765 -2.425 1.00 87.55 O +ATOM 39 N GLY A 7 -0.973 2.771 0.851 1.00 90.92 N +ATOM 40 CA GLY A 7 -2.137 2.509 1.650 1.00 90.25 C +ATOM 41 C GLY A 7 -2.943 3.767 1.895 1.00 91.00 C +ATOM 42 O GLY A 7 -2.525 4.876 1.563 1.00 90.70 O +ATOM 43 N PRO A 8 -4.114 3.600 2.470 1.00 89.54 N +ATOM 44 CA PRO A 8 -4.963 4.744 2.745 1.00 89.45 C +ATOM 45 C PRO A 8 -4.456 5.551 3.923 1.00 89.22 C +ATOM 46 O PRO A 8 -3.670 5.071 4.731 1.00 87.38 O +ATOM 47 CB PRO A 8 -6.315 4.104 3.064 1.00 86.94 C +ATOM 48 CG PRO A 8 -5.939 2.796 3.667 1.00 85.90 C +ATOM 49 CD PRO A 8 -4.719 2.348 2.913 1.00 88.00 C +HETATM 50 N HYP A 9 -4.934 6.799 4.001 1.00 87.87 N +HETATM 51 CA HYP A 9 -4.630 7.602 5.151 1.00 86.77 C +HETATM 52 C HYP A 9 -5.274 7.020 6.362 1.00 88.68 C +HETATM 53 O HYP A 9 -6.289 6.328 6.296 1.00 89.08 O +HETATM 54 CB HYP A 9 -5.332 8.946 4.775 1.00 82.67 C +HETATM 55 CG HYP A 9 -5.414 8.965 3.305 1.00 81.64 C +HETATM 56 CD HYP A 9 -5.661 7.548 2.938 1.00 86.78 C +HETATM 57 OD1 HYP A 9 -4.171 9.358 2.775 1.00 82.80 O +ATOM 58 N GLY A 10 -4.727 7.242 7.516 1.00 90.21 N +ATOM 59 CA GLY A 10 -5.380 6.882 8.752 1.00 88.05 C +ATOM 60 C GLY A 10 -6.568 7.793 8.985 1.00 87.99 C +ATOM 61 O GLY A 10 -7.059 8.455 8.071 1.00 85.64 O +ATOM 62 N CYS A 11 -7.041 7.840 10.227 1.00 86.19 N +ATOM 63 CA CYS A 11 -8.112 8.782 10.537 1.00 89.41 C +ATOM 64 C CYS A 11 -7.726 10.162 10.031 1.00 89.81 C +ATOM 65 O CYS A 11 -8.501 10.831 9.354 1.00 87.50 O +ATOM 66 CB CYS A 11 -8.369 8.810 12.038 1.00 86.48 C +ATOM 67 SG CYS A 11 -8.960 7.243 12.663 1.00 80.40 S +ATOM 68 N ILE A 12 -6.514 10.549 10.363 1.00 87.60 N +ATOM 69 CA ILE A 12 -5.812 11.680 9.768 1.00 90.02 C +ATOM 70 C ILE A 12 -4.358 11.265 9.766 1.00 89.82 C +ATOM 71 O ILE A 12 -3.820 10.893 10.804 1.00 85.39 O +ATOM 72 CB ILE A 12 -5.971 12.995 10.563 1.00 87.68 C +ATOM 73 CG1 ILE A 12 -7.446 13.406 10.659 1.00 83.36 C +ATOM 74 CG2 ILE A 12 -5.160 14.105 9.901 1.00 80.62 C +ATOM 75 CD1 ILE A 12 -7.667 14.646 11.499 1.00 74.19 C +ATOM 76 N GLY A 13 -3.724 11.307 8.612 1.00 92.20 N +ATOM 77 CA GLY A 13 -2.337 10.916 8.582 1.00 91.47 C +ATOM 78 C GLY A 13 -1.897 10.557 7.188 1.00 92.31 C +ATOM 79 O GLY A 13 -2.691 10.581 6.242 1.00 92.36 O +ATOM 80 N PRO A 14 -0.634 10.243 7.050 1.00 92.51 N +ATOM 81 CA PRO A 14 -0.081 9.934 5.738 1.00 92.38 C +ATOM 82 C PRO A 14 -0.581 8.599 5.213 1.00 92.31 C +ATOM 83 O PRO A 14 -1.060 7.755 5.962 1.00 90.01 O +ATOM 84 CB PRO A 14 1.424 9.901 5.986 1.00 90.56 C +ATOM 85 CG PRO A 14 1.536 9.482 7.405 1.00 89.30 C +ATOM 86 CD PRO A 14 0.372 10.127 8.101 1.00 90.31 C +HETATM 87 N HYP A 15 -0.416 8.469 3.923 1.00 91.06 N +HETATM 88 CA HYP A 15 -0.717 7.182 3.318 1.00 94.18 C +HETATM 89 C HYP A 15 0.173 6.100 3.828 1.00 93.28 C +HETATM 90 O HYP A 15 1.303 6.374 4.277 1.00 92.32 O +HETATM 91 CB HYP A 15 -0.430 7.490 1.824 1.00 89.05 C +HETATM 92 CG HYP A 15 -0.660 8.976 1.691 1.00 87.19 C +HETATM 93 CD HYP A 15 -0.097 9.518 2.973 1.00 90.59 C +HETATM 94 OD1 HYP A 15 -2.014 9.257 1.593 1.00 88.78 O +ATOM 95 N GLY A 16 -0.338 4.919 3.834 1.00 94.71 N +ATOM 96 CA GLY A 16 0.466 3.790 4.198 1.00 94.25 C +ATOM 97 C GLY A 16 1.529 3.508 3.162 1.00 94.93 C +ATOM 98 O GLY A 16 1.569 4.127 2.101 1.00 94.81 O +ATOM 99 N PRO A 17 2.396 2.560 3.481 1.00 89.90 N +ATOM 100 CA PRO A 17 3.463 2.222 2.553 1.00 89.78 C +ATOM 101 C PRO A 17 2.935 1.468 1.346 1.00 90.02 C +ATOM 102 O PRO A 17 1.833 0.932 1.362 1.00 88.06 O +ATOM 103 CB PRO A 17 4.384 1.348 3.398 1.00 87.89 C +ATOM 104 CG PRO A 17 3.469 0.719 4.381 1.00 85.78 C +ATOM 105 CD PRO A 17 2.437 1.759 4.696 1.00 87.55 C +HETATM 106 N HYP A 18 3.756 1.455 0.285 1.00 87.69 N +HETATM 107 CA HYP A 18 3.415 0.658 -0.839 1.00 89.48 C +HETATM 108 C HYP A 18 3.264 -0.783 -0.500 1.00 89.95 C +HETATM 109 O HYP A 18 3.905 -1.283 0.436 1.00 89.65 O +HETATM 110 CB HYP A 18 4.639 0.858 -1.779 1.00 87.40 C +HETATM 111 CG HYP A 18 5.149 2.222 -1.412 1.00 83.14 C +HETATM 112 CD HYP A 18 4.954 2.245 0.095 1.00 88.18 C +HETATM 113 OD1 HYP A 18 4.347 3.225 -2.014 1.00 86.41 O +ATOM 114 N GLY A 19 2.374 -1.433 -1.196 1.00 89.30 N +ATOM 115 CA GLY A 19 2.196 -2.844 -1.021 1.00 89.19 C +ATOM 116 C GLY A 19 3.405 -3.617 -1.495 1.00 89.81 C +ATOM 117 O GLY A 19 4.309 -3.072 -2.128 1.00 90.15 O +ATOM 118 N PRO A 20 3.422 -4.900 -1.193 1.00 81.31 N +ATOM 119 CA PRO A 20 4.538 -5.729 -1.610 1.00 81.45 C +ATOM 120 C PRO A 20 4.522 -5.970 -3.108 1.00 80.91 C +ATOM 121 O PRO A 20 3.508 -5.781 -3.771 1.00 81.33 O +ATOM 122 CB PRO A 20 4.314 -7.024 -0.840 1.00 80.01 C +ATOM 123 CG PRO A 20 2.842 -7.074 -0.660 1.00 77.22 C +ATOM 124 CD PRO A 20 2.415 -5.649 -0.472 1.00 78.97 C +HETATM 125 N HYP A 21 5.681 -6.375 -3.607 1.00 84.96 N +HETATM 126 CA HYP A 21 5.750 -6.736 -4.991 1.00 87.18 C +HETATM 127 C HYP A 21 4.798 -7.857 -5.344 1.00 85.86 C +HETATM 128 O HYP A 21 4.554 -8.746 -4.527 1.00 90.37 O +HETATM 129 CB HYP A 21 7.202 -7.228 -5.169 1.00 82.78 C +HETATM 130 CG HYP A 21 7.972 -6.532 -4.074 1.00 78.48 C +HETATM 131 CD HYP A 21 6.992 -6.490 -2.920 1.00 84.75 C +HETATM 132 OD1 HYP A 21 8.237 -5.178 -4.457 1.00 81.68 O +ATOM 133 N GLY A 22 4.165 -7.740 -6.476 1.00 86.61 N +ATOM 134 CA GLY A 22 3.322 -8.789 -6.952 1.00 84.56 C +ATOM 135 C GLY A 22 4.141 -9.985 -7.398 1.00 84.24 C +ATOM 136 O GLY A 22 5.371 -9.947 -7.405 1.00 84.14 O +ATOM 137 N PRO A 23 3.467 -11.052 -7.782 1.00 87.21 N +ATOM 138 CA PRO A 23 4.186 -12.226 -8.259 1.00 86.96 C +ATOM 139 C PRO A 23 4.883 -11.923 -9.568 1.00 85.13 C +ATOM 140 O PRO A 23 4.362 -11.187 -10.405 1.00 81.94 O +ATOM 141 CB PRO A 23 3.090 -13.268 -8.426 1.00 83.44 C +ATOM 142 CG PRO A 23 1.863 -12.467 -8.671 1.00 79.60 C +ATOM 143 CD PRO A 23 2.028 -11.218 -7.854 1.00 81.72 C +HETATM 144 N HYP A 24 5.994 -12.382 -9.760 1.00 91.37 N +HETATM 145 CA HYP A 24 6.774 -11.950 -10.950 1.00 87.42 C +HETATM 146 C HYP A 24 6.429 -10.667 -11.475 1.00 89.59 C +HETATM 147 O HYP A 24 7.320 -9.786 -11.803 1.00 87.87 O +HETATM 148 CB HYP A 24 7.449 -13.050 -11.465 1.00 86.47 C +HETATM 149 CG HYP A 24 7.274 -14.185 -10.453 1.00 86.03 C +HETATM 150 CD HYP A 24 6.239 -13.712 -9.430 1.00 90.86 C +HETATM 151 OD1 HYP A 24 8.470 -14.406 -9.731 1.00 86.05 O +HETATM 152 OXT HYP A 24 5.282 -10.478 -11.986 1.00 86.21 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_303.txt b/protein_pdb_303.txt new file mode 100644 index 0000000000000000000000000000000000000000..3d825207286caedcdf892fce618ec76b5a991608 --- /dev/null +++ b/protein_pdb_303.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 11.817 -1.347 -10.397 1.00 92.90 N +ATOM 2 CA GLY A 1 10.839 -0.331 -10.272 1.00 93.43 C +ATOM 3 C GLY A 1 10.707 0.223 -8.871 1.00 94.12 C +ATOM 4 O GLY A 1 11.200 -0.358 -7.907 1.00 92.59 O +ATOM 5 N PRO A 2 10.042 1.313 -8.769 1.00 93.92 N +ATOM 6 CA PRO A 2 9.830 1.929 -7.480 1.00 94.18 C +ATOM 7 C PRO A 2 8.790 1.181 -6.669 1.00 94.24 C +ATOM 8 O PRO A 2 8.096 0.306 -7.185 1.00 92.43 O +ATOM 9 CB PRO A 2 9.338 3.327 -7.856 1.00 91.31 C +ATOM 10 CG PRO A 2 8.633 3.100 -9.144 1.00 87.75 C +ATOM 11 CD PRO A 2 9.439 2.060 -9.861 1.00 91.05 C +HETATM 12 N HYP A 3 8.726 1.535 -5.411 1.00 94.76 N +HETATM 13 CA HYP A 3 7.680 0.939 -4.590 1.00 93.85 C +HETATM 14 C HYP A 3 6.314 1.234 -5.116 1.00 95.48 C +HETATM 15 O HYP A 3 6.088 2.298 -5.724 1.00 95.01 O +HETATM 16 CB HYP A 3 7.919 1.662 -3.235 1.00 91.68 C +HETATM 17 CG HYP A 3 9.378 2.008 -3.241 1.00 89.39 C +HETATM 18 CD HYP A 3 9.623 2.387 -4.728 1.00 92.54 C +HETATM 19 OD1 HYP A 3 10.097 0.851 -2.931 1.00 91.13 O +ATOM 20 N GLY A 4 5.442 0.270 -4.935 1.00 94.62 N +ATOM 21 CA GLY A 4 4.084 0.448 -5.356 1.00 94.29 C +ATOM 22 C GLY A 4 3.392 1.514 -4.529 1.00 95.01 C +ATOM 23 O GLY A 4 3.925 1.993 -3.527 1.00 95.09 O +ATOM 24 N PRO A 5 2.204 1.900 -4.941 1.00 94.42 N +ATOM 25 CA PRO A 5 1.463 2.918 -4.211 1.00 94.28 C +ATOM 26 C PRO A 5 0.975 2.397 -2.869 1.00 94.23 C +ATOM 27 O PRO A 5 0.922 1.195 -2.639 1.00 93.15 O +ATOM 28 CB PRO A 5 0.299 3.242 -5.137 1.00 92.49 C +ATOM 29 CG PRO A 5 0.096 1.985 -5.901 1.00 90.88 C +ATOM 30 CD PRO A 5 1.459 1.406 -6.095 1.00 93.40 C +HETATM 31 N HYP A 6 0.637 3.353 -1.991 1.00 93.78 N +HETATM 32 CA HYP A 6 0.089 2.956 -0.726 1.00 95.15 C +HETATM 33 C HYP A 6 -1.182 2.173 -0.878 1.00 94.38 C +HETATM 34 O HYP A 6 -1.942 2.397 -1.841 1.00 94.58 O +HETATM 35 CB HYP A 6 -0.218 4.336 -0.069 1.00 90.11 C +HETATM 36 CG HYP A 6 0.766 5.257 -0.716 1.00 89.89 C +HETATM 37 CD HYP A 6 0.780 4.764 -2.145 1.00 91.82 C +HETATM 38 OD1 HYP A 6 2.026 5.070 -0.127 1.00 89.91 O +ATOM 39 N GLY A 7 -1.356 1.221 -0.006 1.00 94.61 N +ATOM 40 CA GLY A 7 -2.562 0.445 -0.009 1.00 94.36 C +ATOM 41 C GLY A 7 -3.764 1.317 0.289 1.00 95.13 C +ATOM 42 O GLY A 7 -3.638 2.474 0.686 1.00 94.93 O +ATOM 43 N PRO A 8 -4.942 0.774 0.090 1.00 95.31 N +ATOM 44 CA PRO A 8 -6.153 1.540 0.342 1.00 95.25 C +ATOM 45 C PRO A 8 -6.377 1.754 1.830 1.00 95.41 C +ATOM 46 O PRO A 8 -5.861 1.021 2.666 1.00 94.19 O +ATOM 47 CB PRO A 8 -7.256 0.675 -0.262 1.00 93.67 C +ATOM 48 CG PRO A 8 -6.719 -0.701 -0.147 1.00 91.99 C +ATOM 49 CD PRO A 8 -5.234 -0.581 -0.371 1.00 94.31 C +HETATM 50 N HYP A 9 -7.158 2.759 2.139 1.00 93.85 N +HETATM 51 CA HYP A 9 -7.509 3.011 3.495 1.00 94.37 C +HETATM 52 C HYP A 9 -8.349 1.898 4.032 1.00 95.07 C +HETATM 53 O HYP A 9 -9.163 1.327 3.305 1.00 94.76 O +HETATM 54 CB HYP A 9 -8.384 4.291 3.414 1.00 90.63 C +HETATM 55 CG HYP A 9 -8.021 4.911 2.138 1.00 89.60 C +HETATM 56 CD HYP A 9 -7.714 3.778 1.245 1.00 93.18 C +HETATM 57 OD1 HYP A 9 -6.857 5.689 2.307 1.00 89.44 O +ATOM 58 N GLY A 10 -8.171 1.507 5.254 1.00 93.91 N +ATOM 59 CA GLY A 10 -9.094 0.629 5.924 1.00 92.97 C +ATOM 60 C GLY A 10 -10.393 1.366 6.166 1.00 93.51 C +ATOM 61 O GLY A 10 -10.499 2.565 5.898 1.00 92.84 O +ATOM 62 N PRO A 11 -11.395 0.682 6.699 1.00 92.04 N +ATOM 63 CA PRO A 11 -12.659 1.373 6.955 1.00 91.74 C +ATOM 64 C PRO A 11 -12.494 2.620 7.804 1.00 92.38 C +ATOM 65 O PRO A 11 -13.163 3.627 7.568 1.00 89.58 O +ATOM 66 CB PRO A 11 -13.498 0.316 7.669 1.00 89.67 C +ATOM 67 CG PRO A 11 -12.944 -0.973 7.182 1.00 89.13 C +ATOM 68 CD PRO A 11 -11.467 -0.736 7.012 1.00 90.59 C +ATOM 69 N TYR A 12 -11.610 2.554 8.770 1.00 92.86 N +ATOM 70 CA TYR A 12 -11.395 3.653 9.694 1.00 92.53 C +ATOM 71 C TYR A 12 -9.918 3.868 9.990 1.00 91.64 C +ATOM 72 O TYR A 12 -9.570 4.491 10.991 1.00 89.46 O +ATOM 73 CB TYR A 12 -12.139 3.386 11.005 1.00 91.54 C +ATOM 74 CG TYR A 12 -13.581 3.020 10.776 1.00 88.61 C +ATOM 75 CD1 TYR A 12 -14.504 3.988 10.412 1.00 86.65 C +ATOM 76 CD2 TYR A 12 -14.014 1.710 10.883 1.00 86.15 C +ATOM 77 CE1 TYR A 12 -15.824 3.660 10.159 1.00 85.82 C +ATOM 78 CE2 TYR A 12 -15.331 1.368 10.634 1.00 86.47 C +ATOM 79 CZ TYR A 12 -16.231 2.347 10.282 1.00 86.09 C +ATOM 80 OH TYR A 12 -17.543 2.023 10.024 1.00 84.85 O +ATOM 81 N GLY A 13 -9.049 3.375 9.135 1.00 94.18 N +ATOM 82 CA GLY A 13 -7.632 3.410 9.399 1.00 93.29 C +ATOM 83 C GLY A 13 -6.827 4.050 8.291 1.00 94.23 C +ATOM 84 O GLY A 13 -7.365 4.433 7.256 1.00 93.93 O +ATOM 85 N PRO A 14 -5.532 4.159 8.510 1.00 95.14 N +ATOM 86 CA PRO A 14 -4.648 4.772 7.531 1.00 94.98 C +ATOM 87 C PRO A 14 -4.467 3.885 6.314 1.00 95.00 C +ATOM 88 O PRO A 14 -4.820 2.711 6.323 1.00 94.03 O +ATOM 89 CB PRO A 14 -3.335 4.940 8.294 1.00 93.58 C +ATOM 90 CG PRO A 14 -3.352 3.823 9.271 1.00 92.01 C +ATOM 91 CD PRO A 14 -4.792 3.684 9.684 1.00 93.50 C +HETATM 92 N HYP A 15 -3.893 4.507 5.324 1.00 94.18 N +HETATM 93 CA HYP A 15 -3.564 3.735 4.135 1.00 94.87 C +HETATM 94 C HYP A 15 -2.594 2.645 4.437 1.00 95.38 C +HETATM 95 O HYP A 15 -1.797 2.762 5.409 1.00 93.95 O +HETATM 96 CB HYP A 15 -2.945 4.840 3.248 1.00 91.32 C +HETATM 97 CG HYP A 15 -3.563 6.122 3.756 1.00 89.43 C +HETATM 98 CD HYP A 15 -3.638 5.909 5.244 1.00 92.29 C +HETATM 99 OD1 HYP A 15 -4.841 6.281 3.234 1.00 89.11 O +ATOM 100 N GLY A 16 -2.690 1.575 3.686 1.00 95.71 N +ATOM 101 CA GLY A 16 -1.762 0.494 3.830 1.00 95.47 C +ATOM 102 C GLY A 16 -0.363 0.917 3.435 1.00 95.90 C +ATOM 103 O GLY A 16 -0.153 2.002 2.888 1.00 95.54 O +ATOM 104 N PRO A 17 0.612 0.054 3.703 1.00 93.51 N +ATOM 105 CA PRO A 17 1.984 0.371 3.350 1.00 93.38 C +ATOM 106 C PRO A 17 2.191 0.340 1.849 1.00 93.71 C +ATOM 107 O PRO A 17 1.391 -0.227 1.111 1.00 92.27 O +ATOM 108 CB PRO A 17 2.791 -0.717 4.049 1.00 91.87 C +ATOM 109 CG PRO A 17 1.848 -1.859 4.135 1.00 89.49 C +ATOM 110 CD PRO A 17 0.494 -1.252 4.338 1.00 91.40 C +HETATM 111 N HYP A 18 3.273 0.984 1.415 1.00 89.77 N +HETATM 112 CA HYP A 18 3.613 0.914 0.043 1.00 90.65 C +HETATM 113 C HYP A 18 3.821 -0.475 -0.436 1.00 90.38 C +HETATM 114 O HYP A 18 4.258 -1.359 0.334 1.00 92.12 O +HETATM 115 CB HYP A 18 4.929 1.719 -0.000 1.00 87.04 C +HETATM 116 CG HYP A 18 4.832 2.654 1.173 1.00 87.27 C +HETATM 117 CD HYP A 18 4.129 1.797 2.198 1.00 90.88 C +HETATM 118 OD1 HYP A 18 4.003 3.750 0.837 1.00 87.25 O +ATOM 119 N GLY A 19 3.499 -0.719 -1.678 1.00 91.12 N +ATOM 120 CA GLY A 19 3.736 -1.999 -2.287 1.00 91.15 C +ATOM 121 C GLY A 19 5.219 -2.266 -2.422 1.00 91.92 C +ATOM 122 O GLY A 19 6.051 -1.383 -2.232 1.00 92.53 O +ATOM 123 N PRO A 20 5.565 -3.496 -2.756 1.00 91.80 N +ATOM 124 CA PRO A 20 6.971 -3.840 -2.914 1.00 92.29 C +ATOM 125 C PRO A 20 7.556 -3.209 -4.160 1.00 92.42 C +ATOM 126 O PRO A 20 6.836 -2.793 -5.061 1.00 91.81 O +ATOM 127 CB PRO A 20 6.939 -5.368 -3.014 1.00 89.74 C +ATOM 128 CG PRO A 20 5.602 -5.655 -3.579 1.00 86.93 C +ATOM 129 CD PRO A 20 4.680 -4.619 -3.006 1.00 90.25 C +HETATM 130 N HYP A 21 8.882 -3.123 -4.170 1.00 90.15 N +HETATM 131 CA HYP A 21 9.542 -2.639 -5.337 1.00 91.68 C +HETATM 132 C HYP A 21 9.219 -3.419 -6.579 1.00 89.69 C +HETATM 133 O HYP A 21 9.042 -4.635 -6.500 1.00 92.86 O +HETATM 134 CB HYP A 21 11.029 -2.743 -5.006 1.00 88.62 C +HETATM 135 CG HYP A 21 11.092 -2.725 -3.506 1.00 87.18 C +HETATM 136 CD HYP A 21 9.830 -3.459 -3.117 1.00 90.14 C +HETATM 137 OD1 HYP A 21 10.985 -1.367 -3.062 1.00 86.14 O +ATOM 138 N GLY A 22 9.070 -2.743 -7.692 1.00 90.62 N +ATOM 139 CA GLY A 22 8.861 -3.391 -8.952 1.00 88.85 C +ATOM 140 C GLY A 22 10.141 -4.051 -9.422 1.00 89.20 C +ATOM 141 O GLY A 22 11.207 -3.867 -8.837 1.00 89.65 O +ATOM 142 N PRO A 23 10.082 -4.819 -10.508 1.00 92.14 N +ATOM 143 CA PRO A 23 11.270 -5.479 -11.036 1.00 91.25 C +ATOM 144 C PRO A 23 12.141 -4.469 -11.766 1.00 90.14 C +ATOM 145 O PRO A 23 11.788 -4.001 -12.845 1.00 86.74 O +ATOM 146 CB PRO A 23 10.695 -6.537 -11.968 1.00 88.16 C +ATOM 147 CG PRO A 23 9.405 -5.963 -12.415 1.00 85.11 C +ATOM 148 CD PRO A 23 8.880 -5.155 -11.248 1.00 88.88 C +HETATM 149 N HYP A 24 13.148 -3.974 -11.132 1.00 95.25 N +HETATM 150 CA HYP A 24 13.837 -2.661 -11.314 1.00 91.64 C +HETATM 151 C HYP A 24 13.252 -1.468 -11.013 1.00 95.18 C +HETATM 152 O HYP A 24 13.281 -0.462 -11.861 1.00 94.32 O +HETATM 153 CB HYP A 24 15.286 -2.881 -11.326 1.00 90.38 C +HETATM 154 CG HYP A 24 15.417 -4.346 -11.664 1.00 89.01 C +HETATM 155 CD HYP A 24 14.074 -4.993 -11.208 1.00 92.65 C +HETATM 156 OD1 HYP A 24 16.486 -4.929 -10.979 1.00 90.45 O +HETATM 157 OXT HYP A 24 13.678 -0.828 -9.847 1.00 89.64 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_304.txt b/protein_pdb_304.txt new file mode 100644 index 0000000000000000000000000000000000000000..0f2e8c8fba0c1e91b560c2f2600e78f31749b06c --- /dev/null +++ b/protein_pdb_304.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 9.613 -7.583 -8.241 1.00 80.11 N +ATOM 2 CA GLY A 1 8.894 -6.514 -8.909 1.00 81.74 C +ATOM 3 C GLY A 1 8.878 -5.263 -8.071 1.00 82.63 C +ATOM 4 O GLY A 1 9.411 -5.248 -6.962 1.00 79.74 O +ATOM 5 N PRO A 2 8.237 -4.203 -8.555 1.00 84.51 N +ATOM 6 CA PRO A 2 8.196 -2.940 -7.827 1.00 85.59 C +ATOM 7 C PRO A 2 7.286 -3.006 -6.619 1.00 85.13 C +ATOM 8 O PRO A 2 6.467 -3.901 -6.478 1.00 82.71 O +ATOM 9 CB PRO A 2 7.654 -1.959 -8.866 1.00 81.85 C +ATOM 10 CG PRO A 2 6.846 -2.801 -9.778 1.00 76.92 C +ATOM 11 CD PRO A 2 7.541 -4.126 -9.841 1.00 77.94 C +HETATM 12 N HYP A 3 7.482 -2.065 -5.774 1.00 82.17 N +HETATM 13 CA HYP A 3 6.576 -1.917 -4.614 1.00 85.05 C +HETATM 14 C HYP A 3 5.150 -1.749 -5.047 1.00 87.55 C +HETATM 15 O HYP A 3 4.882 -1.181 -6.134 1.00 88.60 O +HETATM 16 CB HYP A 3 7.107 -0.627 -3.948 1.00 84.38 C +HETATM 17 CG HYP A 3 8.569 -0.594 -4.339 1.00 80.27 C +HETATM 18 CD HYP A 3 8.541 -1.106 -5.797 1.00 85.25 C +HETATM 19 OD1 HYP A 3 9.254 -1.525 -3.548 1.00 83.64 O +ATOM 20 N GLY A 4 4.265 -2.291 -4.256 1.00 88.20 N +ATOM 21 CA GLY A 4 2.867 -2.145 -4.536 1.00 88.05 C +ATOM 22 C GLY A 4 2.410 -0.708 -4.381 1.00 89.34 C +ATOM 23 O GLY A 4 3.155 0.153 -3.913 1.00 89.21 O +ATOM 24 N PRO A 5 1.179 -0.450 -4.774 1.00 86.60 N +ATOM 25 CA PRO A 5 0.644 0.898 -4.665 1.00 87.28 C +ATOM 26 C PRO A 5 0.352 1.268 -3.224 1.00 87.31 C +ATOM 27 O PRO A 5 0.280 0.419 -2.349 1.00 85.59 O +ATOM 28 CB PRO A 5 -0.637 0.821 -5.490 1.00 84.57 C +ATOM 29 CG PRO A 5 -1.060 -0.596 -5.363 1.00 82.17 C +ATOM 30 CD PRO A 5 0.206 -1.393 -5.323 1.00 84.62 C +HETATM 31 N HYP A 6 0.198 2.575 -3.017 1.00 88.19 N +HETATM 32 CA HYP A 6 -0.213 3.032 -1.703 1.00 92.85 C +HETATM 33 C HYP A 6 -1.507 2.415 -1.269 1.00 88.86 C +HETATM 34 O HYP A 6 -2.395 2.149 -2.130 1.00 90.17 O +HETATM 35 CB HYP A 6 -0.355 4.561 -1.935 1.00 86.99 C +HETATM 36 CG HYP A 6 0.579 4.850 -3.083 1.00 85.78 C +HETATM 37 CD HYP A 6 0.402 3.637 -3.969 1.00 87.90 C +HETATM 38 OD1 HYP A 6 1.904 4.883 -2.604 1.00 87.29 O +ATOM 39 N GLY A 7 -1.614 2.131 -0.011 1.00 89.21 N +ATOM 40 CA GLY A 7 -2.831 1.592 0.531 1.00 88.16 C +ATOM 41 C GLY A 7 -3.973 2.582 0.441 1.00 88.32 C +ATOM 42 O GLY A 7 -3.800 3.739 0.059 1.00 87.46 O +ATOM 43 N PRO A 8 -5.147 2.115 0.801 1.00 88.82 N +ATOM 44 CA PRO A 8 -6.314 2.979 0.724 1.00 88.16 C +ATOM 45 C PRO A 8 -6.298 4.047 1.804 1.00 88.21 C +ATOM 46 O PRO A 8 -5.644 3.909 2.828 1.00 86.33 O +ATOM 47 CB PRO A 8 -7.476 2.010 0.933 1.00 84.65 C +ATOM 48 CG PRO A 8 -6.893 0.920 1.749 1.00 83.52 C +ATOM 49 CD PRO A 8 -5.466 0.782 1.294 1.00 85.14 C +HETATM 50 N HYP A 9 -7.062 5.105 1.562 1.00 83.27 N +HETATM 51 CA HYP A 9 -7.198 6.135 2.514 1.00 87.59 C +HETATM 52 C HYP A 9 -7.922 5.647 3.750 1.00 84.45 C +HETATM 53 O HYP A 9 -8.872 4.844 3.621 1.00 85.49 O +HETATM 54 CB HYP A 9 -8.132 7.171 1.798 1.00 81.12 C +HETATM 55 CG HYP A 9 -7.941 6.891 0.359 1.00 78.52 C +HETATM 56 CD HYP A 9 -7.752 5.426 0.289 1.00 82.60 C +HETATM 57 OD1 HYP A 9 -6.759 7.540 -0.064 1.00 83.05 O +ATOM 58 N GLY A 10 -7.461 5.994 4.887 1.00 87.33 N +ATOM 59 CA GLY A 10 -8.216 5.752 6.090 1.00 83.67 C +ATOM 60 C GLY A 10 -9.398 6.697 6.152 1.00 84.05 C +ATOM 61 O GLY A 10 -9.493 7.659 5.393 1.00 81.58 O +ATOM 62 N THR A 11 -10.288 6.425 7.077 1.00 89.74 N +ATOM 63 CA THR A 11 -11.434 7.321 7.213 1.00 90.91 C +ATOM 64 C THR A 11 -11.022 8.705 7.686 1.00 91.23 C +ATOM 65 O THR A 11 -11.805 9.644 7.563 1.00 88.43 O +ATOM 66 CB THR A 11 -12.477 6.734 8.166 1.00 88.31 C +ATOM 67 OG1 THR A 11 -11.877 6.491 9.423 1.00 83.50 O +ATOM 68 CG2 THR A 11 -13.047 5.447 7.616 1.00 80.79 C +ATOM 69 N GLN A 12 -9.818 8.811 8.204 1.00 86.50 N +ATOM 70 CA GLN A 12 -9.311 10.089 8.679 1.00 88.36 C +ATOM 71 C GLN A 12 -7.923 10.412 8.178 1.00 88.63 C +ATOM 72 O GLN A 12 -7.273 11.286 8.746 1.00 82.30 O +ATOM 73 CB GLN A 12 -9.246 10.100 10.201 1.00 84.90 C +ATOM 74 CG GLN A 12 -10.552 9.897 10.900 1.00 77.86 C +ATOM 75 CD GLN A 12 -10.397 10.225 12.358 1.00 70.24 C +ATOM 76 OE1 GLN A 12 -10.598 11.361 12.765 1.00 65.56 O +ATOM 77 NE2 GLN A 12 -9.987 9.259 13.145 1.00 64.74 N +ATOM 78 N GLY A 13 -7.424 9.743 7.177 1.00 90.46 N +ATOM 79 CA GLY A 13 -6.033 9.990 6.888 1.00 88.69 C +ATOM 80 C GLY A 13 -5.553 9.574 5.529 1.00 89.04 C +ATOM 81 O GLY A 13 -6.333 9.212 4.651 1.00 88.63 O +ATOM 82 N PRO A 14 -4.262 9.658 5.368 1.00 89.73 N +ATOM 83 CA PRO A 14 -3.630 9.435 4.086 1.00 89.07 C +ATOM 84 C PRO A 14 -3.626 7.973 3.692 1.00 89.31 C +ATOM 85 O PRO A 14 -3.918 7.091 4.488 1.00 87.62 O +ATOM 86 CB PRO A 14 -2.203 9.937 4.312 1.00 87.07 C +ATOM 87 CG PRO A 14 -1.963 9.674 5.751 1.00 86.68 C +ATOM 88 CD PRO A 14 -3.273 9.951 6.415 1.00 86.88 C +HETATM 89 N HYP A 15 -3.259 7.817 2.496 1.00 87.27 N +HETATM 90 CA HYP A 15 -3.051 6.458 1.973 1.00 88.76 C +HETATM 91 C HYP A 15 -2.041 5.716 2.777 1.00 89.78 C +HETATM 92 O HYP A 15 -1.123 6.353 3.364 1.00 89.63 O +HETATM 93 CB HYP A 15 -2.567 6.768 0.557 1.00 85.85 C +HETATM 94 CG HYP A 15 -3.136 8.130 0.216 1.00 82.27 C +HETATM 95 CD HYP A 15 -3.046 8.872 1.516 1.00 86.53 C +HETATM 96 OD1 HYP A 15 -4.468 8.011 -0.175 1.00 86.95 O +ATOM 97 N GLY A 16 -2.201 4.450 2.826 1.00 91.43 N +ATOM 98 CA GLY A 16 -1.218 3.629 3.473 1.00 90.65 C +ATOM 99 C GLY A 16 0.074 3.584 2.695 1.00 91.74 C +ATOM 100 O GLY A 16 0.187 4.144 1.604 1.00 91.60 O +ATOM 101 N PRO A 17 1.058 2.915 3.265 1.00 91.21 N +ATOM 102 CA PRO A 17 2.344 2.825 2.607 1.00 90.65 C +ATOM 103 C PRO A 17 2.291 1.910 1.399 1.00 91.53 C +ATOM 104 O PRO A 17 1.378 1.107 1.250 1.00 90.26 O +ATOM 105 CB PRO A 17 3.254 2.255 3.694 1.00 88.89 C +ATOM 106 CG PRO A 17 2.336 1.476 4.559 1.00 88.35 C +ATOM 107 CD PRO A 17 1.028 2.209 4.539 1.00 89.65 C +HETATM 108 N HYP A 18 3.284 2.068 0.541 1.00 86.59 N +HETATM 109 CA HYP A 18 3.426 1.165 -0.551 1.00 90.66 C +HETATM 110 C HYP A 18 3.517 -0.250 -0.115 1.00 87.17 C +HETATM 111 O HYP A 18 4.063 -0.535 0.980 1.00 90.07 O +HETATM 112 CB HYP A 18 4.719 1.652 -1.205 1.00 86.40 C +HETATM 113 CG HYP A 18 4.822 3.105 -0.834 1.00 85.03 C +HETATM 114 CD HYP A 18 4.264 3.122 0.564 1.00 89.10 C +HETATM 115 OD1 HYP A 18 3.986 3.864 -1.686 1.00 88.02 O +ATOM 116 N GLY A 19 2.997 -1.126 -0.905 1.00 87.34 N +ATOM 117 CA GLY A 19 3.112 -2.529 -0.639 1.00 87.17 C +ATOM 118 C GLY A 19 4.542 -3.002 -0.788 1.00 87.84 C +ATOM 119 O GLY A 19 5.416 -2.280 -1.248 1.00 87.62 O +ATOM 120 N PRO A 20 4.769 -4.238 -0.394 1.00 81.60 N +ATOM 121 CA PRO A 20 6.109 -4.792 -0.494 1.00 82.07 C +ATOM 122 C PRO A 20 6.494 -5.057 -1.935 1.00 82.14 C +ATOM 123 O PRO A 20 5.650 -5.112 -2.819 1.00 83.04 O +ATOM 124 CB PRO A 20 6.000 -6.092 0.300 1.00 79.18 C +ATOM 125 CG PRO A 20 4.576 -6.470 0.175 1.00 75.27 C +ATOM 126 CD PRO A 20 3.804 -5.181 0.146 1.00 75.25 C +HETATM 127 N HYP A 21 7.791 -5.203 -2.137 1.00 81.76 N +HETATM 128 CA HYP A 21 8.257 -5.567 -3.441 1.00 84.49 C +HETATM 129 C HYP A 21 7.649 -6.828 -3.991 1.00 85.45 C +HETATM 130 O HYP A 21 7.377 -7.752 -3.201 1.00 89.89 O +HETATM 131 CB HYP A 21 9.760 -5.757 -3.279 1.00 84.31 C +HETATM 132 CG HYP A 21 10.118 -4.900 -2.078 1.00 79.03 C +HETATM 133 CD HYP A 21 8.905 -5.044 -1.193 1.00 83.07 C +HETATM 134 OD1 HYP A 21 10.205 -3.534 -2.489 1.00 83.70 O +ATOM 135 N GLY A 22 7.299 -6.840 -5.233 1.00 85.14 N +ATOM 136 CA GLY A 22 6.796 -8.024 -5.862 1.00 82.35 C +ATOM 137 C GLY A 22 7.885 -9.069 -6.019 1.00 81.74 C +ATOM 138 O GLY A 22 9.035 -8.852 -5.639 1.00 81.21 O +ATOM 139 N PRO A 23 7.533 -10.205 -6.586 1.00 86.40 N +ATOM 140 CA PRO A 23 8.524 -11.248 -6.779 1.00 86.45 C +ATOM 141 C PRO A 23 9.585 -10.806 -7.764 1.00 85.60 C +ATOM 142 O PRO A 23 9.349 -9.960 -8.616 1.00 82.19 O +ATOM 143 CB PRO A 23 7.706 -12.425 -7.307 1.00 81.93 C +ATOM 144 CG PRO A 23 6.521 -11.794 -7.924 1.00 77.99 C +ATOM 145 CD PRO A 23 6.234 -10.557 -7.118 1.00 80.38 C +HETATM 146 N HYP A 24 10.708 -11.300 -7.690 1.00 87.97 N +HETATM 147 CA HYP A 24 11.789 -10.810 -8.549 1.00 81.33 C +HETATM 148 C HYP A 24 11.442 -9.860 -9.550 1.00 86.25 C +HETATM 149 O HYP A 24 12.310 -9.375 -10.290 1.00 80.55 O +HETATM 150 CB HYP A 24 12.692 -11.946 -8.697 1.00 83.22 C +HETATM 151 CG HYP A 24 12.410 -12.869 -7.549 1.00 81.91 C +HETATM 152 CD HYP A 24 10.966 -12.605 -7.179 1.00 85.56 C +HETATM 153 OD1 HYP A 24 13.194 -12.502 -6.410 1.00 82.39 O +HETATM 154 OXT HYP A 24 10.293 -9.614 -9.782 1.00 81.77 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_305.txt b/protein_pdb_305.txt new file mode 100644 index 0000000000000000000000000000000000000000..3d825207286caedcdf892fce618ec76b5a991608 --- /dev/null +++ b/protein_pdb_305.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 11.817 -1.347 -10.397 1.00 92.90 N +ATOM 2 CA GLY A 1 10.839 -0.331 -10.272 1.00 93.43 C +ATOM 3 C GLY A 1 10.707 0.223 -8.871 1.00 94.12 C +ATOM 4 O GLY A 1 11.200 -0.358 -7.907 1.00 92.59 O +ATOM 5 N PRO A 2 10.042 1.313 -8.769 1.00 93.92 N +ATOM 6 CA PRO A 2 9.830 1.929 -7.480 1.00 94.18 C +ATOM 7 C PRO A 2 8.790 1.181 -6.669 1.00 94.24 C +ATOM 8 O PRO A 2 8.096 0.306 -7.185 1.00 92.43 O +ATOM 9 CB PRO A 2 9.338 3.327 -7.856 1.00 91.31 C +ATOM 10 CG PRO A 2 8.633 3.100 -9.144 1.00 87.75 C +ATOM 11 CD PRO A 2 9.439 2.060 -9.861 1.00 91.05 C +HETATM 12 N HYP A 3 8.726 1.535 -5.411 1.00 94.76 N +HETATM 13 CA HYP A 3 7.680 0.939 -4.590 1.00 93.85 C +HETATM 14 C HYP A 3 6.314 1.234 -5.116 1.00 95.48 C +HETATM 15 O HYP A 3 6.088 2.298 -5.724 1.00 95.01 O +HETATM 16 CB HYP A 3 7.919 1.662 -3.235 1.00 91.68 C +HETATM 17 CG HYP A 3 9.378 2.008 -3.241 1.00 89.39 C +HETATM 18 CD HYP A 3 9.623 2.387 -4.728 1.00 92.54 C +HETATM 19 OD1 HYP A 3 10.097 0.851 -2.931 1.00 91.13 O +ATOM 20 N GLY A 4 5.442 0.270 -4.935 1.00 94.62 N +ATOM 21 CA GLY A 4 4.084 0.448 -5.356 1.00 94.29 C +ATOM 22 C GLY A 4 3.392 1.514 -4.529 1.00 95.01 C +ATOM 23 O GLY A 4 3.925 1.993 -3.527 1.00 95.09 O +ATOM 24 N PRO A 5 2.204 1.900 -4.941 1.00 94.42 N +ATOM 25 CA PRO A 5 1.463 2.918 -4.211 1.00 94.28 C +ATOM 26 C PRO A 5 0.975 2.397 -2.869 1.00 94.23 C +ATOM 27 O PRO A 5 0.922 1.195 -2.639 1.00 93.15 O +ATOM 28 CB PRO A 5 0.299 3.242 -5.137 1.00 92.49 C +ATOM 29 CG PRO A 5 0.096 1.985 -5.901 1.00 90.88 C +ATOM 30 CD PRO A 5 1.459 1.406 -6.095 1.00 93.40 C +HETATM 31 N HYP A 6 0.637 3.353 -1.991 1.00 93.78 N +HETATM 32 CA HYP A 6 0.089 2.956 -0.726 1.00 95.15 C +HETATM 33 C HYP A 6 -1.182 2.173 -0.878 1.00 94.38 C +HETATM 34 O HYP A 6 -1.942 2.397 -1.841 1.00 94.58 O +HETATM 35 CB HYP A 6 -0.218 4.336 -0.069 1.00 90.11 C +HETATM 36 CG HYP A 6 0.766 5.257 -0.716 1.00 89.89 C +HETATM 37 CD HYP A 6 0.780 4.764 -2.145 1.00 91.82 C +HETATM 38 OD1 HYP A 6 2.026 5.070 -0.127 1.00 89.91 O +ATOM 39 N GLY A 7 -1.356 1.221 -0.006 1.00 94.61 N +ATOM 40 CA GLY A 7 -2.562 0.445 -0.009 1.00 94.36 C +ATOM 41 C GLY A 7 -3.764 1.317 0.289 1.00 95.13 C +ATOM 42 O GLY A 7 -3.638 2.474 0.686 1.00 94.93 O +ATOM 43 N PRO A 8 -4.942 0.774 0.090 1.00 95.31 N +ATOM 44 CA PRO A 8 -6.153 1.540 0.342 1.00 95.25 C +ATOM 45 C PRO A 8 -6.377 1.754 1.830 1.00 95.41 C +ATOM 46 O PRO A 8 -5.861 1.021 2.666 1.00 94.19 O +ATOM 47 CB PRO A 8 -7.256 0.675 -0.262 1.00 93.67 C +ATOM 48 CG PRO A 8 -6.719 -0.701 -0.147 1.00 91.99 C +ATOM 49 CD PRO A 8 -5.234 -0.581 -0.371 1.00 94.31 C +HETATM 50 N HYP A 9 -7.158 2.759 2.139 1.00 93.85 N +HETATM 51 CA HYP A 9 -7.509 3.011 3.495 1.00 94.37 C +HETATM 52 C HYP A 9 -8.349 1.898 4.032 1.00 95.07 C +HETATM 53 O HYP A 9 -9.163 1.327 3.305 1.00 94.76 O +HETATM 54 CB HYP A 9 -8.384 4.291 3.414 1.00 90.63 C +HETATM 55 CG HYP A 9 -8.021 4.911 2.138 1.00 89.60 C +HETATM 56 CD HYP A 9 -7.714 3.778 1.245 1.00 93.18 C +HETATM 57 OD1 HYP A 9 -6.857 5.689 2.307 1.00 89.44 O +ATOM 58 N GLY A 10 -8.171 1.507 5.254 1.00 93.91 N +ATOM 59 CA GLY A 10 -9.094 0.629 5.924 1.00 92.97 C +ATOM 60 C GLY A 10 -10.393 1.366 6.166 1.00 93.51 C +ATOM 61 O GLY A 10 -10.499 2.565 5.898 1.00 92.84 O +ATOM 62 N PRO A 11 -11.395 0.682 6.699 1.00 92.04 N +ATOM 63 CA PRO A 11 -12.659 1.373 6.955 1.00 91.74 C +ATOM 64 C PRO A 11 -12.494 2.620 7.804 1.00 92.38 C +ATOM 65 O PRO A 11 -13.163 3.627 7.568 1.00 89.58 O +ATOM 66 CB PRO A 11 -13.498 0.316 7.669 1.00 89.67 C +ATOM 67 CG PRO A 11 -12.944 -0.973 7.182 1.00 89.13 C +ATOM 68 CD PRO A 11 -11.467 -0.736 7.012 1.00 90.59 C +ATOM 69 N TYR A 12 -11.610 2.554 8.770 1.00 92.86 N +ATOM 70 CA TYR A 12 -11.395 3.653 9.694 1.00 92.53 C +ATOM 71 C TYR A 12 -9.918 3.868 9.990 1.00 91.64 C +ATOM 72 O TYR A 12 -9.570 4.491 10.991 1.00 89.46 O +ATOM 73 CB TYR A 12 -12.139 3.386 11.005 1.00 91.54 C +ATOM 74 CG TYR A 12 -13.581 3.020 10.776 1.00 88.61 C +ATOM 75 CD1 TYR A 12 -14.504 3.988 10.412 1.00 86.65 C +ATOM 76 CD2 TYR A 12 -14.014 1.710 10.883 1.00 86.15 C +ATOM 77 CE1 TYR A 12 -15.824 3.660 10.159 1.00 85.82 C +ATOM 78 CE2 TYR A 12 -15.331 1.368 10.634 1.00 86.47 C +ATOM 79 CZ TYR A 12 -16.231 2.347 10.282 1.00 86.09 C +ATOM 80 OH TYR A 12 -17.543 2.023 10.024 1.00 84.85 O +ATOM 81 N GLY A 13 -9.049 3.375 9.135 1.00 94.18 N +ATOM 82 CA GLY A 13 -7.632 3.410 9.399 1.00 93.29 C +ATOM 83 C GLY A 13 -6.827 4.050 8.291 1.00 94.23 C +ATOM 84 O GLY A 13 -7.365 4.433 7.256 1.00 93.93 O +ATOM 85 N PRO A 14 -5.532 4.159 8.510 1.00 95.14 N +ATOM 86 CA PRO A 14 -4.648 4.772 7.531 1.00 94.98 C +ATOM 87 C PRO A 14 -4.467 3.885 6.314 1.00 95.00 C +ATOM 88 O PRO A 14 -4.820 2.711 6.323 1.00 94.03 O +ATOM 89 CB PRO A 14 -3.335 4.940 8.294 1.00 93.58 C +ATOM 90 CG PRO A 14 -3.352 3.823 9.271 1.00 92.01 C +ATOM 91 CD PRO A 14 -4.792 3.684 9.684 1.00 93.50 C +HETATM 92 N HYP A 15 -3.893 4.507 5.324 1.00 94.18 N +HETATM 93 CA HYP A 15 -3.564 3.735 4.135 1.00 94.87 C +HETATM 94 C HYP A 15 -2.594 2.645 4.437 1.00 95.38 C +HETATM 95 O HYP A 15 -1.797 2.762 5.409 1.00 93.95 O +HETATM 96 CB HYP A 15 -2.945 4.840 3.248 1.00 91.32 C +HETATM 97 CG HYP A 15 -3.563 6.122 3.756 1.00 89.43 C +HETATM 98 CD HYP A 15 -3.638 5.909 5.244 1.00 92.29 C +HETATM 99 OD1 HYP A 15 -4.841 6.281 3.234 1.00 89.11 O +ATOM 100 N GLY A 16 -2.690 1.575 3.686 1.00 95.71 N +ATOM 101 CA GLY A 16 -1.762 0.494 3.830 1.00 95.47 C +ATOM 102 C GLY A 16 -0.363 0.917 3.435 1.00 95.90 C +ATOM 103 O GLY A 16 -0.153 2.002 2.888 1.00 95.54 O +ATOM 104 N PRO A 17 0.612 0.054 3.703 1.00 93.51 N +ATOM 105 CA PRO A 17 1.984 0.371 3.350 1.00 93.38 C +ATOM 106 C PRO A 17 2.191 0.340 1.849 1.00 93.71 C +ATOM 107 O PRO A 17 1.391 -0.227 1.111 1.00 92.27 O +ATOM 108 CB PRO A 17 2.791 -0.717 4.049 1.00 91.87 C +ATOM 109 CG PRO A 17 1.848 -1.859 4.135 1.00 89.49 C +ATOM 110 CD PRO A 17 0.494 -1.252 4.338 1.00 91.40 C +HETATM 111 N HYP A 18 3.273 0.984 1.415 1.00 89.77 N +HETATM 112 CA HYP A 18 3.613 0.914 0.043 1.00 90.65 C +HETATM 113 C HYP A 18 3.821 -0.475 -0.436 1.00 90.38 C +HETATM 114 O HYP A 18 4.258 -1.359 0.334 1.00 92.12 O +HETATM 115 CB HYP A 18 4.929 1.719 -0.000 1.00 87.04 C +HETATM 116 CG HYP A 18 4.832 2.654 1.173 1.00 87.27 C +HETATM 117 CD HYP A 18 4.129 1.797 2.198 1.00 90.88 C +HETATM 118 OD1 HYP A 18 4.003 3.750 0.837 1.00 87.25 O +ATOM 119 N GLY A 19 3.499 -0.719 -1.678 1.00 91.12 N +ATOM 120 CA GLY A 19 3.736 -1.999 -2.287 1.00 91.15 C +ATOM 121 C GLY A 19 5.219 -2.266 -2.422 1.00 91.92 C +ATOM 122 O GLY A 19 6.051 -1.383 -2.232 1.00 92.53 O +ATOM 123 N PRO A 20 5.565 -3.496 -2.756 1.00 91.80 N +ATOM 124 CA PRO A 20 6.971 -3.840 -2.914 1.00 92.29 C +ATOM 125 C PRO A 20 7.556 -3.209 -4.160 1.00 92.42 C +ATOM 126 O PRO A 20 6.836 -2.793 -5.061 1.00 91.81 O +ATOM 127 CB PRO A 20 6.939 -5.368 -3.014 1.00 89.74 C +ATOM 128 CG PRO A 20 5.602 -5.655 -3.579 1.00 86.93 C +ATOM 129 CD PRO A 20 4.680 -4.619 -3.006 1.00 90.25 C +HETATM 130 N HYP A 21 8.882 -3.123 -4.170 1.00 90.15 N +HETATM 131 CA HYP A 21 9.542 -2.639 -5.337 1.00 91.68 C +HETATM 132 C HYP A 21 9.219 -3.419 -6.579 1.00 89.69 C +HETATM 133 O HYP A 21 9.042 -4.635 -6.500 1.00 92.86 O +HETATM 134 CB HYP A 21 11.029 -2.743 -5.006 1.00 88.62 C +HETATM 135 CG HYP A 21 11.092 -2.725 -3.506 1.00 87.18 C +HETATM 136 CD HYP A 21 9.830 -3.459 -3.117 1.00 90.14 C +HETATM 137 OD1 HYP A 21 10.985 -1.367 -3.062 1.00 86.14 O +ATOM 138 N GLY A 22 9.070 -2.743 -7.692 1.00 90.62 N +ATOM 139 CA GLY A 22 8.861 -3.391 -8.952 1.00 88.85 C +ATOM 140 C GLY A 22 10.141 -4.051 -9.422 1.00 89.20 C +ATOM 141 O GLY A 22 11.207 -3.867 -8.837 1.00 89.65 O +ATOM 142 N PRO A 23 10.082 -4.819 -10.508 1.00 92.14 N +ATOM 143 CA PRO A 23 11.270 -5.479 -11.036 1.00 91.25 C +ATOM 144 C PRO A 23 12.141 -4.469 -11.766 1.00 90.14 C +ATOM 145 O PRO A 23 11.788 -4.001 -12.845 1.00 86.74 O +ATOM 146 CB PRO A 23 10.695 -6.537 -11.968 1.00 88.16 C +ATOM 147 CG PRO A 23 9.405 -5.963 -12.415 1.00 85.11 C +ATOM 148 CD PRO A 23 8.880 -5.155 -11.248 1.00 88.88 C +HETATM 149 N HYP A 24 13.148 -3.974 -11.132 1.00 95.25 N +HETATM 150 CA HYP A 24 13.837 -2.661 -11.314 1.00 91.64 C +HETATM 151 C HYP A 24 13.252 -1.468 -11.013 1.00 95.18 C +HETATM 152 O HYP A 24 13.281 -0.462 -11.861 1.00 94.32 O +HETATM 153 CB HYP A 24 15.286 -2.881 -11.326 1.00 90.38 C +HETATM 154 CG HYP A 24 15.417 -4.346 -11.664 1.00 89.01 C +HETATM 155 CD HYP A 24 14.074 -4.993 -11.208 1.00 92.65 C +HETATM 156 OD1 HYP A 24 16.486 -4.929 -10.979 1.00 90.45 O +HETATM 157 OXT HYP A 24 13.678 -0.828 -9.847 1.00 89.64 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_306.txt b/protein_pdb_306.txt new file mode 100644 index 0000000000000000000000000000000000000000..6a27b771f34a2607378f2e0983e6eaabf1cb31e6 --- /dev/null +++ b/protein_pdb_306.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 1.921 -15.620 -5.811 1.00 81.34 N +ATOM 2 CA GLY A 1 1.208 -14.657 -6.631 1.00 83.80 C +ATOM 3 C GLY A 1 1.937 -13.340 -6.693 1.00 85.10 C +ATOM 4 O GLY A 1 2.973 -13.170 -6.058 1.00 82.78 O +ATOM 5 N PRO A 2 1.401 -12.397 -7.439 1.00 86.31 N +ATOM 6 CA PRO A 2 2.057 -11.106 -7.595 1.00 88.07 C +ATOM 7 C PRO A 2 1.952 -10.262 -6.344 1.00 88.31 C +ATOM 8 O PRO A 2 1.137 -10.521 -5.459 1.00 85.39 O +ATOM 9 CB PRO A 2 1.301 -10.469 -8.757 1.00 84.64 C +ATOM 10 CG PRO A 2 -0.055 -11.075 -8.678 1.00 80.64 C +ATOM 11 CD PRO A 2 0.152 -12.474 -8.195 1.00 81.54 C +HETATM 12 N HYP A 3 2.762 -9.317 -6.303 1.00 88.17 N +HETATM 13 CA HYP A 3 2.692 -8.305 -5.211 1.00 87.75 C +HETATM 14 C HYP A 3 1.346 -7.656 -5.145 1.00 91.67 C +HETATM 15 O HYP A 3 0.669 -7.498 -6.181 1.00 89.63 O +HETATM 16 CB HYP A 3 3.781 -7.305 -5.611 1.00 87.74 C +HETATM 17 CG HYP A 3 4.769 -8.128 -6.425 1.00 83.71 C +HETATM 18 CD HYP A 3 3.841 -9.068 -7.222 1.00 87.85 C +HETATM 19 OD1 HYP A 3 5.538 -8.896 -5.535 1.00 85.35 O +ATOM 20 N GLY A 4 0.934 -7.324 -3.961 1.00 90.44 N +ATOM 21 CA GLY A 4 -0.315 -6.640 -3.763 1.00 90.05 C +ATOM 22 C GLY A 4 -0.274 -5.232 -4.326 1.00 90.82 C +ATOM 23 O GLY A 4 0.765 -4.751 -4.770 1.00 90.67 O +ATOM 24 N PRO A 5 -1.406 -4.578 -4.307 1.00 90.41 N +ATOM 25 CA PRO A 5 -1.468 -3.223 -4.830 1.00 90.47 C +ATOM 26 C PRO A 5 -0.742 -2.239 -3.935 1.00 90.40 C +ATOM 27 O PRO A 5 -0.492 -2.506 -2.764 1.00 88.43 O +ATOM 28 CB PRO A 5 -2.972 -2.937 -4.869 1.00 88.16 C +ATOM 29 CG PRO A 5 -3.534 -3.798 -3.799 1.00 86.76 C +ATOM 30 CD PRO A 5 -2.696 -5.043 -3.793 1.00 88.73 C +HETATM 31 N HYP A 6 -0.390 -1.124 -4.504 1.00 89.87 N +HETATM 32 CA HYP A 6 0.193 -0.042 -3.730 1.00 92.25 C +HETATM 33 C HYP A 6 -0.689 0.373 -2.600 1.00 92.99 C +HETATM 34 O HYP A 6 -1.938 0.274 -2.679 1.00 90.49 O +HETATM 35 CB HYP A 6 0.347 1.060 -4.791 1.00 87.90 C +HETATM 36 CG HYP A 6 0.502 0.299 -6.086 1.00 88.64 C +HETATM 37 CD HYP A 6 -0.454 -0.855 -5.914 1.00 89.46 C +HETATM 38 OD1 HYP A 6 1.822 -0.190 -6.185 1.00 87.10 O +ATOM 39 N GLY A 7 -0.087 0.764 -1.531 1.00 90.51 N +ATOM 40 CA GLY A 7 -0.804 1.268 -0.395 1.00 90.06 C +ATOM 41 C GLY A 7 -1.522 2.563 -0.717 1.00 90.60 C +ATOM 42 O GLY A 7 -1.363 3.134 -1.790 1.00 89.80 O +ATOM 43 N PRO A 8 -2.327 3.018 0.220 1.00 87.10 N +ATOM 44 CA PRO A 8 -3.082 4.237 -0.013 1.00 87.96 C +ATOM 45 C PRO A 8 -2.182 5.466 -0.019 1.00 87.81 C +ATOM 46 O PRO A 8 -1.114 5.477 0.578 1.00 85.65 O +ATOM 47 CB PRO A 8 -4.069 4.272 1.149 1.00 85.74 C +ATOM 48 CG PRO A 8 -3.388 3.510 2.222 1.00 83.86 C +ATOM 49 CD PRO A 8 -2.592 2.440 1.528 1.00 84.81 C +HETATM 50 N HYP A 9 -2.647 6.495 -0.684 1.00 84.18 N +HETATM 51 CA HYP A 9 -1.938 7.731 -0.701 1.00 88.09 C +HETATM 52 C HYP A 9 -1.874 8.346 0.663 1.00 86.89 C +HETATM 53 O HYP A 9 -2.789 8.200 1.477 1.00 87.12 O +HETATM 54 CB HYP A 9 -2.822 8.638 -1.598 1.00 83.11 C +HETATM 55 CG HYP A 9 -3.631 7.724 -2.421 1.00 81.39 C +HETATM 56 CD HYP A 9 -3.853 6.542 -1.537 1.00 85.10 C +HETATM 57 OD1 HYP A 9 -2.846 7.323 -3.534 1.00 83.20 O +ATOM 58 N GLY A 10 -0.823 9.000 0.960 1.00 86.70 N +ATOM 59 CA GLY A 10 -0.780 9.839 2.133 1.00 83.75 C +ATOM 60 C GLY A 10 -1.653 11.061 1.916 1.00 83.74 C +ATOM 61 O GLY A 10 -2.215 11.256 0.836 1.00 83.23 O +ATOM 62 N PRO A 11 -1.764 11.908 2.921 1.00 80.66 N +ATOM 63 CA PRO A 11 -2.612 13.095 2.762 1.00 82.98 C +ATOM 64 C PRO A 11 -2.286 13.912 1.525 1.00 83.77 C +ATOM 65 O PRO A 11 -3.188 14.361 0.820 1.00 81.42 O +ATOM 66 CB PRO A 11 -2.358 13.880 4.052 1.00 80.99 C +ATOM 67 CG PRO A 11 -1.993 12.836 5.045 1.00 80.38 C +ATOM 68 CD PRO A 11 -1.207 11.803 4.271 1.00 80.64 C +ATOM 69 N ASP A 12 -1.007 14.079 1.268 1.00 85.04 N +ATOM 70 CA ASP A 12 -0.529 14.803 0.096 1.00 87.88 C +ATOM 71 C ASP A 12 0.619 14.038 -0.543 1.00 87.75 C +ATOM 72 O ASP A 12 1.564 14.636 -1.052 1.00 83.98 O +ATOM 73 CB ASP A 12 -0.053 16.211 0.488 1.00 86.00 C +ATOM 74 CG ASP A 12 -1.170 17.101 0.988 1.00 79.96 C +ATOM 75 OD1 ASP A 12 -2.186 17.226 0.279 1.00 77.70 O +ATOM 76 OD2 ASP A 12 -1.015 17.691 2.073 1.00 77.42 O +ATOM 77 N GLY A 13 0.557 12.745 -0.499 1.00 88.36 N +ATOM 78 CA GLY A 13 1.695 11.933 -0.870 1.00 86.20 C +ATOM 79 C GLY A 13 1.368 10.784 -1.787 1.00 87.21 C +ATOM 80 O GLY A 13 0.204 10.527 -2.111 1.00 87.21 O +ATOM 81 N PRO A 14 2.403 10.093 -2.208 1.00 86.73 N +ATOM 82 CA PRO A 14 2.252 8.989 -3.139 1.00 87.17 C +ATOM 83 C PRO A 14 1.691 7.750 -2.470 1.00 87.32 C +ATOM 84 O PRO A 14 1.644 7.638 -1.253 1.00 84.41 O +ATOM 85 CB PRO A 14 3.687 8.746 -3.617 1.00 84.76 C +ATOM 86 CG PRO A 14 4.514 9.112 -2.435 1.00 83.34 C +ATOM 87 CD PRO A 14 3.812 10.292 -1.823 1.00 83.57 C +HETATM 88 N HYP A 15 1.314 6.866 -3.312 1.00 87.78 N +HETATM 89 CA HYP A 15 0.891 5.566 -2.830 1.00 86.95 C +HETATM 90 C HYP A 15 1.981 4.863 -2.104 1.00 88.45 C +HETATM 91 O HYP A 15 3.174 5.080 -2.372 1.00 89.93 O +HETATM 92 CB HYP A 15 0.545 4.878 -4.172 1.00 83.62 C +HETATM 93 CG HYP A 15 0.205 6.003 -5.139 1.00 81.72 C +HETATM 94 CD HYP A 15 1.189 7.079 -4.752 1.00 87.42 C +HETATM 95 OD1 HYP A 15 -1.093 6.468 -4.896 1.00 85.29 O +ATOM 96 N GLY A 16 1.605 4.059 -1.169 1.00 92.24 N +ATOM 97 CA GLY A 16 2.565 3.247 -0.468 1.00 91.59 C +ATOM 98 C GLY A 16 3.129 2.159 -1.355 1.00 92.23 C +ATOM 99 O GLY A 16 2.739 2.012 -2.516 1.00 91.53 O +ATOM 100 N PRO A 17 4.059 1.388 -0.807 1.00 88.92 N +ATOM 101 CA PRO A 17 4.672 0.327 -1.585 1.00 89.06 C +ATOM 102 C PRO A 17 3.704 -0.813 -1.857 1.00 89.92 C +ATOM 103 O PRO A 17 2.684 -0.949 -1.186 1.00 87.30 O +ATOM 104 CB PRO A 17 5.843 -0.122 -0.708 1.00 86.94 C +ATOM 105 CG PRO A 17 5.461 0.275 0.659 1.00 85.54 C +ATOM 106 CD PRO A 17 4.598 1.485 0.549 1.00 86.08 C +HETATM 107 N HYP A 18 4.053 -1.620 -2.840 1.00 85.85 N +HETATM 108 CA HYP A 18 3.275 -2.786 -3.110 1.00 88.97 C +HETATM 109 C HYP A 18 3.192 -3.712 -1.956 1.00 87.95 C +HETATM 110 O HYP A 18 4.130 -3.796 -1.143 1.00 89.02 O +HETATM 111 CB HYP A 18 4.049 -3.419 -4.278 1.00 86.44 C +HETATM 112 CG HYP A 18 4.713 -2.260 -4.973 1.00 84.30 C +HETATM 113 CD HYP A 18 5.102 -1.382 -3.804 1.00 87.31 C +HETATM 114 OD1 HYP A 18 3.756 -1.586 -5.763 1.00 85.54 O +ATOM 115 N GLY A 19 2.092 -4.361 -1.822 1.00 87.72 N +ATOM 116 CA GLY A 19 1.915 -5.342 -0.795 1.00 87.46 C +ATOM 117 C GLY A 19 2.783 -6.559 -1.027 1.00 88.22 C +ATOM 118 O GLY A 19 3.469 -6.669 -2.040 1.00 88.15 O +ATOM 119 N PRO A 20 2.744 -7.479 -0.090 1.00 83.41 N +ATOM 120 CA PRO A 20 3.551 -8.677 -0.219 1.00 84.08 C +ATOM 121 C PRO A 20 3.029 -9.589 -1.316 1.00 84.01 C +ATOM 122 O PRO A 20 1.883 -9.468 -1.745 1.00 83.68 O +ATOM 123 CB PRO A 20 3.420 -9.331 1.156 1.00 81.55 C +ATOM 124 CG PRO A 20 2.098 -8.860 1.651 1.00 77.78 C +ATOM 125 CD PRO A 20 1.938 -7.469 1.123 1.00 79.07 C +HETATM 126 N HYP A 21 3.882 -10.472 -1.751 1.00 84.46 N +HETATM 127 CA HYP A 21 3.465 -11.441 -2.715 1.00 84.79 C +HETATM 128 C HYP A 21 2.293 -12.290 -2.257 1.00 85.59 C +HETATM 129 O HYP A 21 2.186 -12.541 -1.069 1.00 88.15 O +HETATM 130 CB HYP A 21 4.673 -12.284 -2.997 1.00 83.92 C +HETATM 131 CG HYP A 21 5.829 -11.388 -2.659 1.00 78.34 C +HETATM 132 CD HYP A 21 5.313 -10.594 -1.472 1.00 82.34 C +HETATM 133 OD1 HYP A 21 6.050 -10.478 -3.736 1.00 82.63 O +ATOM 134 N GLY A 22 1.413 -12.575 -3.157 1.00 77.74 N +ATOM 135 CA GLY A 22 0.290 -13.408 -2.851 1.00 74.48 C +ATOM 136 C GLY A 22 0.711 -14.851 -2.654 1.00 74.00 C +ATOM 137 O GLY A 22 1.891 -15.191 -2.761 1.00 74.96 O +ATOM 138 N PRO A 23 -0.242 -15.721 -2.395 1.00 83.13 N +ATOM 139 CA PRO A 23 0.067 -17.139 -2.244 1.00 83.98 C +ATOM 140 C PRO A 23 0.693 -17.684 -3.511 1.00 82.94 C +ATOM 141 O PRO A 23 0.316 -17.285 -4.610 1.00 79.02 O +ATOM 142 CB PRO A 23 -1.294 -17.769 -1.984 1.00 78.92 C +ATOM 143 CG PRO A 23 -2.138 -16.651 -1.490 1.00 74.87 C +ATOM 144 CD PRO A 23 -1.652 -15.437 -2.203 1.00 76.25 C +HETATM 145 N HYP A 24 1.590 -18.514 -3.455 1.00 87.69 N +HETATM 146 CA HYP A 24 2.297 -18.949 -4.664 1.00 82.61 C +HETATM 147 C HYP A 24 2.287 -18.069 -5.786 1.00 86.26 C +HETATM 148 O HYP A 24 2.167 -18.512 -6.925 1.00 78.66 O +HETATM 149 CB HYP A 24 2.855 -20.203 -4.412 1.00 83.61 C +HETATM 150 CG HYP A 24 2.495 -20.570 -2.939 1.00 81.77 C +HETATM 151 CD HYP A 24 1.576 -19.458 -2.437 1.00 85.74 C +HETATM 152 OD1 HYP A 24 3.673 -20.486 -2.132 1.00 81.22 O +HETATM 153 OXT HYP A 24 2.503 -16.879 -5.565 1.00 75.70 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_307.txt b/protein_pdb_307.txt new file mode 100644 index 0000000000000000000000000000000000000000..771892424cea447d2c68cea0285e1a116b334189 --- /dev/null +++ b/protein_pdb_307.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 -9.359 11.627 5.664 1.00 74.63 N +ATOM 2 CA GLY A 1 -8.716 10.713 6.595 1.00 78.34 C +ATOM 3 C GLY A 1 -7.271 10.493 6.220 1.00 79.64 C +ATOM 4 O GLY A 1 -6.803 11.010 5.205 1.00 76.50 O +ATOM 5 N PRO A 2 -6.563 9.741 7.033 1.00 72.53 N +ATOM 6 CA PRO A 2 -5.159 9.481 6.746 1.00 76.18 C +ATOM 7 C PRO A 2 -5.000 8.589 5.532 1.00 76.43 C +ATOM 8 O PRO A 2 -5.943 7.942 5.094 1.00 74.81 O +ATOM 9 CB PRO A 2 -4.655 8.802 8.017 1.00 72.17 C +ATOM 10 CG PRO A 2 -5.873 8.100 8.528 1.00 67.55 C +ATOM 11 CD PRO A 2 -7.007 9.060 8.240 1.00 66.69 C +HETATM 12 N HYP A 3 -3.862 8.613 5.024 1.00 73.06 N +HETATM 13 CA HYP A 3 -3.574 7.708 3.898 1.00 76.89 C +HETATM 14 C HYP A 3 -3.924 6.293 4.231 1.00 75.68 C +HETATM 15 O HYP A 3 -3.846 5.888 5.421 1.00 81.09 O +HETATM 16 CB HYP A 3 -2.068 7.934 3.699 1.00 76.42 C +HETATM 17 CG HYP A 3 -1.824 9.360 4.205 1.00 70.98 C +HETATM 18 CD HYP A 3 -2.743 9.418 5.455 1.00 75.24 C +HETATM 19 OD1 HYP A 3 -2.259 10.317 3.275 1.00 78.22 O +ATOM 20 N GLY A 4 -4.353 5.568 3.273 1.00 85.82 N +ATOM 21 CA GLY A 4 -4.701 4.198 3.505 1.00 84.78 C +ATOM 22 C GLY A 4 -3.457 3.392 3.831 1.00 83.92 C +ATOM 23 O GLY A 4 -2.334 3.879 3.695 1.00 82.65 O +ATOM 24 N PRO A 5 -3.655 2.155 4.276 1.00 85.71 N +ATOM 25 CA PRO A 5 -2.502 1.327 4.597 1.00 84.76 C +ATOM 26 C PRO A 5 -1.767 0.933 3.336 1.00 85.01 C +ATOM 27 O PRO A 5 -2.313 0.977 2.235 1.00 83.35 O +ATOM 28 CB PRO A 5 -3.119 0.120 5.296 1.00 82.12 C +ATOM 29 CG PRO A 5 -4.468 0.018 4.667 1.00 82.31 C +ATOM 30 CD PRO A 5 -4.903 1.450 4.488 1.00 83.22 C +HETATM 31 N HYP A 6 -0.537 0.573 3.494 1.00 82.46 N +HETATM 32 CA HYP A 6 0.197 0.092 2.368 1.00 84.19 C +HETATM 33 C HYP A 6 -0.483 -1.037 1.676 1.00 82.97 C +HETATM 34 O HYP A 6 -1.186 -1.832 2.339 1.00 83.65 O +HETATM 35 CB HYP A 6 1.522 -0.286 3.077 1.00 83.05 C +HETATM 36 CG HYP A 6 1.604 0.637 4.264 1.00 80.59 C +HETATM 37 CD HYP A 6 0.192 0.644 4.762 1.00 83.13 C +HETATM 38 OD1 HYP A 6 2.000 1.944 3.898 1.00 82.17 O +ATOM 39 N GLY A 7 -0.319 -1.116 0.414 1.00 85.12 N +ATOM 40 CA GLY A 7 -0.905 -2.199 -0.324 1.00 82.39 C +ATOM 41 C GLY A 7 -0.217 -3.492 0.061 1.00 83.54 C +ATOM 42 O GLY A 7 0.778 -3.491 0.789 1.00 82.28 O +ATOM 43 N PRO A 8 -0.740 -4.606 -0.416 1.00 82.50 N +ATOM 44 CA PRO A 8 -0.122 -5.882 -0.091 1.00 81.59 C +ATOM 45 C PRO A 8 1.236 -5.999 -0.756 1.00 81.81 C +ATOM 46 O PRO A 8 1.512 -5.349 -1.758 1.00 79.49 O +ATOM 47 CB PRO A 8 -1.110 -6.908 -0.625 1.00 78.45 C +ATOM 48 CG PRO A 8 -1.760 -6.185 -1.760 1.00 79.53 C +ATOM 49 CD PRO A 8 -1.883 -4.766 -1.282 1.00 80.05 C +HETATM 50 N HYP A 9 2.091 -6.861 -0.186 1.00 77.05 N +HETATM 51 CA HYP A 9 3.322 -7.053 -0.816 1.00 79.85 C +HETATM 52 C HYP A 9 3.198 -7.590 -2.208 1.00 76.35 C +HETATM 53 O HYP A 9 2.301 -8.371 -2.487 1.00 78.04 O +HETATM 54 CB HYP A 9 3.995 -8.095 0.133 1.00 79.39 C +HETATM 55 CG HYP A 9 3.427 -7.782 1.484 1.00 77.54 C +HETATM 56 CD HYP A 9 2.020 -7.495 1.140 1.00 79.23 C +HETATM 57 OD1 HYP A 9 4.017 -6.652 2.081 1.00 73.84 O +ATOM 58 N GLY A 10 4.062 -7.095 -3.085 1.00 76.16 N +ATOM 59 CA GLY A 10 4.025 -7.554 -4.451 1.00 72.77 C +ATOM 60 C GLY A 10 4.489 -8.993 -4.475 1.00 72.90 C +ATOM 61 O GLY A 10 4.889 -9.558 -3.452 1.00 71.05 O +ATOM 62 N TRP A 11 4.435 -9.576 -5.637 1.00 73.40 N +ATOM 63 CA TRP A 11 4.946 -10.933 -5.760 1.00 73.35 C +ATOM 64 C TRP A 11 6.443 -10.887 -5.492 1.00 70.25 C +ATOM 65 O TRP A 11 7.018 -9.804 -5.430 1.00 69.22 O +ATOM 66 CB TRP A 11 4.687 -11.465 -7.164 1.00 71.89 C +ATOM 67 CG TRP A 11 3.243 -11.647 -7.491 1.00 68.40 C +ATOM 68 CD1 TRP A 11 2.176 -11.481 -6.676 1.00 68.59 C +ATOM 69 CD2 TRP A 11 2.714 -12.051 -8.760 1.00 69.31 C +ATOM 70 NE1 TRP A 11 1.007 -11.757 -7.340 1.00 62.75 N +ATOM 71 CE2 TRP A 11 1.313 -12.105 -8.621 1.00 66.44 C +ATOM 72 CE3 TRP A 11 3.277 -12.373 -9.998 1.00 62.63 C +ATOM 73 CZ2 TRP A 11 0.471 -12.480 -9.677 1.00 71.01 C +ATOM 74 CZ3 TRP A 11 2.451 -12.737 -11.047 1.00 64.05 C +ATOM 75 CH2 TRP A 11 1.069 -12.784 -10.884 1.00 62.98 C +ATOM 76 N PRO A 12 7.086 -12.037 -5.333 1.00 66.82 N +ATOM 77 CA PRO A 12 8.526 -11.996 -5.092 1.00 68.77 C +ATOM 78 C PRO A 12 9.156 -10.995 -6.050 1.00 68.25 C +ATOM 79 O PRO A 12 9.075 -11.142 -7.263 1.00 65.86 O +ATOM 80 CB PRO A 12 8.963 -13.434 -5.350 1.00 66.17 C +ATOM 81 CG PRO A 12 7.783 -14.217 -4.841 1.00 62.95 C +ATOM 82 CD PRO A 12 6.598 -13.408 -5.334 1.00 63.90 C +ATOM 83 N GLY A 13 9.727 -9.960 -5.463 1.00 75.59 N +ATOM 84 CA GLY A 13 10.194 -8.845 -6.255 1.00 72.58 C +ATOM 85 C GLY A 13 9.822 -7.590 -5.482 1.00 71.96 C +ATOM 86 O GLY A 13 9.915 -7.577 -4.255 1.00 73.95 O +ATOM 87 N PRO A 14 9.393 -6.525 -6.150 1.00 73.70 N +ATOM 88 CA PRO A 14 9.074 -5.288 -5.442 1.00 75.47 C +ATOM 89 C PRO A 14 7.806 -5.393 -4.607 1.00 74.12 C +ATOM 90 O PRO A 14 6.882 -6.120 -4.936 1.00 72.67 O +ATOM 91 CB PRO A 14 8.963 -4.231 -6.548 1.00 72.62 C +ATOM 92 CG PRO A 14 8.801 -4.983 -7.806 1.00 70.13 C +ATOM 93 CD PRO A 14 9.334 -6.366 -7.596 1.00 68.90 C +HETATM 94 N HYP A 15 7.741 -4.645 -3.471 1.00 74.85 N +HETATM 95 CA HYP A 15 6.572 -4.570 -2.663 1.00 75.68 C +HETATM 96 C HYP A 15 5.392 -3.943 -3.384 1.00 76.59 C +HETATM 97 O HYP A 15 5.610 -3.235 -4.362 1.00 77.54 O +HETATM 98 CB HYP A 15 7.041 -3.712 -1.495 1.00 73.25 C +HETATM 99 CG HYP A 15 8.511 -4.071 -1.393 1.00 75.13 C +HETATM 100 CD HYP A 15 8.920 -4.130 -2.835 1.00 79.74 C +HETATM 101 OD1 HYP A 15 8.694 -5.305 -0.762 1.00 73.26 O +ATOM 102 N GLY A 16 4.216 -4.215 -2.940 1.00 80.94 N +ATOM 103 CA GLY A 16 3.057 -3.617 -3.552 1.00 77.87 C +ATOM 104 C GLY A 16 3.018 -2.126 -3.260 1.00 79.44 C +ATOM 105 O GLY A 16 3.711 -1.641 -2.368 1.00 79.38 O +ATOM 106 N PRO A 17 2.201 -1.377 -4.008 1.00 81.13 N +ATOM 107 CA PRO A 17 2.104 0.065 -3.790 1.00 80.37 C +ATOM 108 C PRO A 17 1.285 0.360 -2.536 1.00 81.41 C +ATOM 109 O PRO A 17 0.534 -0.476 -2.055 1.00 78.70 O +ATOM 110 CB PRO A 17 1.411 0.566 -5.048 1.00 77.36 C +ATOM 111 CG PRO A 17 0.532 -0.582 -5.426 1.00 76.73 C +ATOM 112 CD PRO A 17 1.372 -1.801 -5.128 1.00 76.84 C +HETATM 113 N HYP A 18 1.417 1.569 -2.000 1.00 80.98 N +HETATM 114 CA HYP A 18 0.611 1.989 -0.881 1.00 84.67 C +HETATM 115 C HYP A 18 -0.870 1.921 -1.176 1.00 82.27 C +HETATM 116 O HYP A 18 -1.279 2.056 -2.359 1.00 83.52 O +HETATM 117 CB HYP A 18 1.128 3.327 -0.608 1.00 82.23 C +HETATM 118 CG HYP A 18 2.545 3.340 -1.140 1.00 79.28 C +HETATM 119 CD HYP A 18 2.432 2.500 -2.359 1.00 83.19 C +HETATM 120 OD1 HYP A 18 3.434 2.715 -0.210 1.00 82.88 O +ATOM 121 N GLY A 19 -1.670 1.734 -0.195 1.00 88.73 N +ATOM 122 CA GLY A 19 -3.094 1.705 -0.380 1.00 87.78 C +ATOM 123 C GLY A 19 -3.615 3.099 -0.678 1.00 88.14 C +ATOM 124 O GLY A 19 -2.876 4.082 -0.588 1.00 87.49 O +ATOM 125 N PRO A 20 -4.891 3.212 -1.024 1.00 82.41 N +ATOM 126 CA PRO A 20 -5.463 4.515 -1.317 1.00 81.47 C +ATOM 127 C PRO A 20 -5.644 5.320 -0.041 1.00 81.81 C +ATOM 128 O PRO A 20 -5.658 4.775 1.058 1.00 79.95 O +ATOM 129 CB PRO A 20 -6.802 4.168 -1.963 1.00 78.29 C +ATOM 130 CG PRO A 20 -7.168 2.887 -1.305 1.00 77.61 C +ATOM 131 CD PRO A 20 -5.866 2.136 -1.183 1.00 78.46 C +HETATM 132 N HYP A 21 -5.781 6.655 -0.161 1.00 79.65 N +HETATM 133 CA HYP A 21 -6.074 7.446 0.975 1.00 82.77 C +HETATM 134 C HYP A 21 -7.354 7.060 1.729 1.00 82.88 C +HETATM 135 O HYP A 21 -8.261 6.546 1.094 1.00 85.06 O +HETATM 136 CB HYP A 21 -6.180 8.845 0.401 1.00 81.62 C +HETATM 137 CG HYP A 21 -5.265 8.830 -0.787 1.00 81.45 C +HETATM 138 CD HYP A 21 -5.503 7.464 -1.355 1.00 83.69 C +HETATM 139 OD1 HYP A 21 -3.895 8.917 -0.388 1.00 82.67 O +ATOM 140 N GLY A 22 -7.354 7.223 2.993 1.00 84.62 N +ATOM 141 CA GLY A 22 -8.509 6.884 3.778 1.00 82.66 C +ATOM 142 C GLY A 22 -9.642 7.846 3.474 1.00 82.03 C +ATOM 143 O GLY A 22 -9.476 8.802 2.719 1.00 81.44 O +ATOM 144 N PRO A 23 -10.822 7.633 4.079 1.00 85.12 N +ATOM 145 CA PRO A 23 -11.956 8.514 3.829 1.00 85.16 C +ATOM 146 C PRO A 23 -11.708 9.883 4.433 1.00 83.90 C +ATOM 147 O PRO A 23 -10.910 10.035 5.356 1.00 80.93 O +ATOM 148 CB PRO A 23 -13.118 7.793 4.496 1.00 80.24 C +ATOM 149 CG PRO A 23 -12.470 7.037 5.603 1.00 76.80 C +ATOM 150 CD PRO A 23 -11.155 6.569 5.018 1.00 79.46 C +HETATM 151 N HYP A 24 -12.399 10.937 4.017 1.00 84.37 N +HETATM 152 CA HYP A 24 -12.172 12.184 4.588 1.00 83.10 C +HETATM 153 C HYP A 24 -12.229 12.224 6.092 1.00 83.37 C +HETATM 154 O HYP A 24 -13.293 11.810 6.630 1.00 84.86 O +HETATM 155 CB HYP A 24 -13.225 13.131 3.963 1.00 84.12 C +HETATM 156 CG HYP A 24 -13.705 12.408 2.736 1.00 81.83 C +HETATM 157 CD HYP A 24 -13.466 10.925 3.021 1.00 84.23 C +HETATM 158 OD1 HYP A 24 -12.883 12.755 1.616 1.00 81.87 O +HETATM 159 OXT HYP A 24 -11.189 12.622 6.663 1.00 79.82 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_308.txt b/protein_pdb_308.txt new file mode 100644 index 0000000000000000000000000000000000000000..3712a5f685285121350fcbeb5f27dc205aadebfc --- /dev/null +++ b/protein_pdb_308.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -7.288 14.445 -0.472 1.00 84.34 N +ATOM 2 CA GLY A 1 -8.073 13.357 -1.012 1.00 84.70 C +ATOM 3 C GLY A 1 -8.117 12.193 -0.059 1.00 85.60 C +ATOM 4 O GLY A 1 -7.555 12.248 1.037 1.00 82.86 O +ATOM 5 N PRO A 2 -8.739 11.008 -0.432 1.00 85.71 N +ATOM 6 CA PRO A 2 -8.862 9.846 0.433 1.00 86.17 C +ATOM 7 C PRO A 2 -7.554 9.090 0.569 1.00 85.51 C +ATOM 8 O PRO A 2 -6.650 9.240 -0.244 1.00 83.10 O +ATOM 9 CB PRO A 2 -9.920 8.998 -0.274 1.00 82.84 C +ATOM 10 CG PRO A 2 -9.783 9.379 -1.698 1.00 77.98 C +ATOM 11 CD PRO A 2 -9.420 10.833 -1.704 1.00 79.05 C +HETATM 12 N HYP A 3 -7.484 8.279 1.594 1.00 85.67 N +HETATM 13 CA HYP A 3 -6.317 7.404 1.782 1.00 82.45 C +HETATM 14 C HYP A 3 -6.158 6.430 0.621 1.00 85.37 C +HETATM 15 O HYP A 3 -7.173 6.041 -0.010 1.00 89.86 O +HETATM 16 CB HYP A 3 -6.694 6.638 3.088 1.00 85.17 C +HETATM 17 CG HYP A 3 -7.617 7.588 3.826 1.00 81.26 C +HETATM 18 CD HYP A 3 -8.424 8.226 2.684 1.00 86.45 C +HETATM 19 OD1 HYP A 3 -6.847 8.574 4.462 1.00 85.15 O +ATOM 20 N GLY A 4 -4.945 6.107 0.311 1.00 88.84 N +ATOM 21 CA GLY A 4 -4.676 5.155 -0.734 1.00 88.35 C +ATOM 22 C GLY A 4 -5.100 3.756 -0.346 1.00 89.42 C +ATOM 23 O GLY A 4 -5.474 3.492 0.796 1.00 89.33 O +ATOM 24 N PRO A 5 -5.042 2.837 -1.303 1.00 88.61 N +ATOM 25 CA PRO A 5 -5.416 1.454 -1.024 1.00 88.47 C +ATOM 26 C PRO A 5 -4.373 0.761 -0.167 1.00 88.50 C +ATOM 27 O PRO A 5 -3.243 1.213 -0.047 1.00 87.52 O +ATOM 28 CB PRO A 5 -5.498 0.833 -2.411 1.00 86.64 C +ATOM 29 CG PRO A 5 -4.522 1.618 -3.213 1.00 84.40 C +ATOM 30 CD PRO A 5 -4.604 3.020 -2.677 1.00 86.46 C +HETATM 31 N HYP A 6 -4.797 -0.357 0.434 1.00 88.47 N +HETATM 32 CA HYP A 6 -3.860 -1.174 1.173 1.00 90.65 C +HETATM 33 C HYP A 6 -2.714 -1.646 0.314 1.00 91.19 C +HETATM 34 O HYP A 6 -2.889 -1.866 -0.919 1.00 91.26 O +HETATM 35 CB HYP A 6 -4.748 -2.364 1.628 1.00 86.53 C +HETATM 36 CG HYP A 6 -6.148 -1.796 1.679 1.00 86.50 C +HETATM 37 CD HYP A 6 -6.166 -0.839 0.488 1.00 88.14 C +HETATM 38 OD1 HYP A 6 -6.325 -1.061 2.872 1.00 87.35 O +ATOM 39 N GLY A 7 -1.556 -1.750 0.876 1.00 89.41 N +ATOM 40 CA GLY A 7 -0.401 -2.227 0.165 1.00 88.56 C +ATOM 41 C GLY A 7 -0.529 -3.689 -0.217 1.00 89.20 C +ATOM 42 O GLY A 7 -1.450 -4.383 0.203 1.00 88.77 O +ATOM 43 N PRO A 8 0.419 -4.160 -1.016 1.00 89.10 N +ATOM 44 CA PRO A 8 0.381 -5.550 -1.435 1.00 88.56 C +ATOM 45 C PRO A 8 0.734 -6.494 -0.293 1.00 88.81 C +ATOM 46 O PRO A 8 1.370 -6.105 0.679 1.00 87.08 O +ATOM 47 CB PRO A 8 1.414 -5.616 -2.556 1.00 85.58 C +ATOM 48 CG PRO A 8 2.354 -4.514 -2.244 1.00 83.84 C +ATOM 49 CD PRO A 8 1.539 -3.436 -1.592 1.00 85.38 C +HETATM 50 N HYP A 9 0.329 -7.767 -0.447 1.00 86.48 N +HETATM 51 CA HYP A 9 0.627 -8.755 0.517 1.00 85.79 C +HETATM 52 C HYP A 9 2.115 -9.049 0.632 1.00 88.39 C +HETATM 53 O HYP A 9 2.833 -9.025 -0.394 1.00 88.75 O +HETATM 54 CB HYP A 9 -0.060 -10.052 -0.017 1.00 81.29 C +HETATM 55 CG HYP A 9 -1.139 -9.552 -0.900 1.00 81.62 C +HETATM 56 CD HYP A 9 -0.586 -8.288 -1.486 1.00 86.26 C +HETATM 57 OD1 HYP A 9 -2.270 -9.235 -0.105 1.00 82.00 O +ATOM 58 N GLY A 10 2.641 -9.206 1.792 1.00 88.00 N +ATOM 59 CA GLY A 10 4.005 -9.629 1.986 1.00 84.05 C +ATOM 60 C GLY A 10 4.155 -11.118 1.726 1.00 84.66 C +ATOM 61 O GLY A 10 3.204 -11.808 1.362 1.00 82.78 O +ATOM 62 N CYS A 11 5.379 -11.621 1.931 1.00 88.96 N +ATOM 63 CA CYS A 11 5.629 -13.046 1.727 1.00 91.78 C +ATOM 64 C CYS A 11 4.713 -13.901 2.587 1.00 92.24 C +ATOM 65 O CYS A 11 4.187 -14.914 2.126 1.00 89.24 O +ATOM 66 CB CYS A 11 7.085 -13.365 2.038 1.00 89.38 C +ATOM 67 SG CYS A 11 8.231 -12.502 0.965 1.00 83.60 S +ATOM 68 N GLN A 12 4.567 -13.487 3.836 1.00 88.17 N +ATOM 69 CA GLN A 12 3.719 -14.179 4.800 1.00 90.20 C +ATOM 70 C GLN A 12 2.588 -13.300 5.309 1.00 90.54 C +ATOM 71 O GLN A 12 1.681 -13.797 5.971 1.00 85.03 O +ATOM 72 CB GLN A 12 4.554 -14.622 6.008 1.00 87.44 C +ATOM 73 CG GLN A 12 5.697 -15.575 5.675 1.00 82.65 C +ATOM 74 CD GLN A 12 5.255 -17.028 5.594 1.00 76.66 C +ATOM 75 OE1 GLN A 12 4.206 -17.399 6.109 1.00 71.09 O +ATOM 76 NE2 GLN A 12 6.050 -17.847 4.944 1.00 69.96 N +ATOM 77 N GLY A 13 2.664 -12.013 5.046 1.00 92.16 N +ATOM 78 CA GLY A 13 1.820 -11.046 5.721 1.00 90.87 C +ATOM 79 C GLY A 13 0.635 -10.545 4.933 1.00 91.31 C +ATOM 80 O GLY A 13 0.505 -10.794 3.731 1.00 90.88 O +ATOM 81 N PRO A 14 -0.232 -9.838 5.623 1.00 90.63 N +ATOM 82 CA PRO A 14 -1.410 -9.246 5.011 1.00 90.47 C +ATOM 83 C PRO A 14 -1.053 -8.011 4.206 1.00 90.62 C +ATOM 84 O PRO A 14 0.094 -7.572 4.186 1.00 88.35 O +ATOM 85 CB PRO A 14 -2.273 -8.885 6.217 1.00 88.18 C +ATOM 86 CG PRO A 14 -1.275 -8.539 7.269 1.00 86.88 C +ATOM 87 CD PRO A 14 -0.128 -9.483 7.044 1.00 87.84 C +HETATM 88 N HYP A 15 -2.083 -7.480 3.563 1.00 90.18 N +HETATM 89 CA HYP A 15 -1.895 -6.219 2.883 1.00 91.05 C +HETATM 90 C HYP A 15 -1.363 -5.155 3.779 1.00 91.35 C +HETATM 91 O HYP A 15 -1.659 -5.176 5.003 1.00 91.60 O +HETATM 92 CB HYP A 15 -3.338 -5.912 2.425 1.00 86.87 C +HETATM 93 CG HYP A 15 -3.998 -7.246 2.276 1.00 85.76 C +HETATM 94 CD HYP A 15 -3.409 -8.051 3.408 1.00 89.96 C +HETATM 95 OD1 HYP A 15 -3.649 -7.798 1.048 1.00 87.79 O +ATOM 96 N GLY A 16 -0.574 -4.280 3.237 1.00 92.04 N +ATOM 97 CA GLY A 16 -0.058 -3.175 4.000 1.00 91.39 C +ATOM 98 C GLY A 16 -1.146 -2.184 4.355 1.00 92.33 C +ATOM 99 O GLY A 16 -2.295 -2.318 3.937 1.00 91.87 O +ATOM 100 N PRO A 17 -0.764 -1.177 5.141 1.00 89.02 N +ATOM 101 CA PRO A 17 -1.736 -0.168 5.542 1.00 89.16 C +ATOM 102 C PRO A 17 -2.143 0.711 4.372 1.00 89.62 C +ATOM 103 O PRO A 17 -1.471 0.755 3.345 1.00 87.57 O +ATOM 104 CB PRO A 17 -0.983 0.631 6.606 1.00 87.12 C +ATOM 105 CG PRO A 17 0.438 0.469 6.239 1.00 85.29 C +ATOM 106 CD PRO A 17 0.565 -0.918 5.678 1.00 87.23 C +HETATM 107 N HYP A 18 -3.269 1.394 4.535 1.00 86.35 N +HETATM 108 CA HYP A 18 -3.694 2.341 3.554 1.00 86.97 C +HETATM 109 C HYP A 18 -2.665 3.401 3.280 1.00 87.55 C +HETATM 110 O HYP A 18 -1.903 3.783 4.209 1.00 89.01 O +HETATM 111 CB HYP A 18 -4.947 2.959 4.206 1.00 84.49 C +HETATM 112 CG HYP A 18 -5.482 1.862 5.092 1.00 82.77 C +HETATM 113 CD HYP A 18 -4.207 1.239 5.631 1.00 88.05 C +HETATM 114 OD1 HYP A 18 -6.195 0.919 4.325 1.00 86.98 O +ATOM 115 N GLY A 19 -2.580 3.820 2.072 1.00 85.32 N +ATOM 116 CA GLY A 19 -1.669 4.866 1.707 1.00 84.76 C +ATOM 117 C GLY A 19 -2.035 6.180 2.358 1.00 85.52 C +ATOM 118 O GLY A 19 -3.079 6.311 2.990 1.00 85.46 O +ATOM 119 N PRO A 20 -1.161 7.163 2.203 1.00 81.01 N +ATOM 120 CA PRO A 20 -1.409 8.459 2.813 1.00 81.28 C +ATOM 121 C PRO A 20 -2.549 9.189 2.125 1.00 80.61 C +ATOM 122 O PRO A 20 -2.895 8.898 0.987 1.00 81.50 O +ATOM 123 CB PRO A 20 -0.087 9.196 2.615 1.00 79.47 C +ATOM 124 CG PRO A 20 0.487 8.575 1.397 1.00 75.07 C +ATOM 125 CD PRO A 20 0.083 7.134 1.452 1.00 76.16 C +HETATM 126 N HYP A 21 -3.119 10.125 2.829 1.00 84.36 N +HETATM 127 CA HYP A 21 -4.126 10.972 2.268 1.00 86.19 C +HETATM 128 C HYP A 21 -3.655 11.769 1.082 1.00 86.59 C +HETATM 129 O HYP A 21 -2.463 12.128 1.032 1.00 90.85 O +HETATM 130 CB HYP A 21 -4.477 11.927 3.433 1.00 83.91 C +HETATM 131 CG HYP A 21 -4.111 11.162 4.692 1.00 78.18 C +HETATM 132 CD HYP A 21 -2.875 10.397 4.263 1.00 84.85 C +HETATM 133 OD1 HYP A 21 -5.135 10.221 4.997 1.00 83.05 O +ATOM 134 N GLY A 22 -4.451 11.924 0.108 1.00 85.04 N +ATOM 135 CA GLY A 22 -4.119 12.770 -1.006 1.00 81.98 C +ATOM 136 C GLY A 22 -4.125 14.234 -0.600 1.00 81.80 C +ATOM 137 O GLY A 22 -4.358 14.568 0.558 1.00 81.09 O +ATOM 138 N PRO A 23 -3.883 15.133 -1.551 1.00 88.33 N +ATOM 139 CA PRO A 23 -3.935 16.560 -1.246 1.00 87.58 C +ATOM 140 C PRO A 23 -5.314 16.960 -0.767 1.00 86.54 C +ATOM 141 O PRO A 23 -6.300 16.297 -1.063 1.00 83.23 O +ATOM 142 CB PRO A 23 -3.611 17.231 -2.579 1.00 84.04 C +ATOM 143 CG PRO A 23 -2.952 16.173 -3.381 1.00 81.26 C +ATOM 144 CD PRO A 23 -3.549 14.884 -2.940 1.00 83.17 C +HETATM 145 N HYP A 24 -5.422 17.999 -0.035 1.00 90.29 N +HETATM 146 CA HYP A 24 -6.763 18.368 0.402 1.00 86.21 C +HETATM 147 C HYP A 24 -7.785 17.937 -0.554 1.00 89.96 C +HETATM 148 O HYP A 24 -8.279 18.738 -1.337 1.00 85.90 O +HETATM 149 CB HYP A 24 -6.696 19.799 0.773 1.00 87.11 C +HETATM 150 CG HYP A 24 -5.230 20.091 1.003 1.00 87.91 C +HETATM 151 CD HYP A 24 -4.475 19.066 0.145 1.00 89.05 C +HETATM 152 OD1 HYP A 24 -4.872 19.842 2.373 1.00 86.73 O +HETATM 153 OXT HYP A 24 -8.148 16.777 -0.481 1.00 83.67 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_309.txt b/protein_pdb_309.txt new file mode 100644 index 0000000000000000000000000000000000000000..450751e89a818e141504042aab1ca0cdd3c0676e --- /dev/null +++ b/protein_pdb_309.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -4.787 6.869 0.714 1.00 69.74 N +ATOM 2 CA GLY A 1 -3.690 6.376 -0.097 1.00 74.00 C +ATOM 3 C GLY A 1 -4.086 5.128 -0.857 1.00 76.00 C +ATOM 4 O GLY A 1 -5.205 4.625 -0.698 1.00 71.99 O +ATOM 5 N PRO A 2 -3.181 4.595 -1.672 1.00 74.91 N +ATOM 6 CA PRO A 2 -3.472 3.400 -2.451 1.00 78.17 C +ATOM 7 C PRO A 2 -3.492 2.160 -1.566 1.00 78.81 C +ATOM 8 O PRO A 2 -2.979 2.164 -0.454 1.00 75.71 O +ATOM 9 CB PRO A 2 -2.321 3.343 -3.450 1.00 74.72 C +ATOM 10 CG PRO A 2 -1.192 3.978 -2.716 1.00 71.64 C +ATOM 11 CD PRO A 2 -1.819 5.088 -1.914 1.00 71.26 C +HETATM 12 N HYP A 3 -4.102 1.090 -2.028 1.00 77.57 N +HETATM 13 CA HYP A 3 -4.092 -0.146 -1.354 1.00 80.05 C +HETATM 14 C HYP A 3 -2.660 -0.630 -1.085 1.00 80.47 C +HETATM 15 O HYP A 3 -1.739 -0.363 -1.880 1.00 79.15 O +HETATM 16 CB HYP A 3 -4.823 -1.048 -2.345 1.00 78.86 C +HETATM 17 CG HYP A 3 -5.781 -0.134 -3.001 1.00 74.71 C +HETATM 18 CD HYP A 3 -4.930 1.088 -3.208 1.00 75.77 C +HETATM 19 OD1 HYP A 3 -6.863 0.189 -2.172 1.00 77.93 O +ATOM 20 N GLY A 4 -2.492 -1.227 0.033 1.00 85.34 N +ATOM 21 CA GLY A 4 -1.195 -1.735 0.395 1.00 84.25 C +ATOM 22 C GLY A 4 -0.803 -2.898 -0.500 1.00 83.02 C +ATOM 23 O GLY A 4 -1.589 -3.355 -1.333 1.00 81.26 O +ATOM 24 N PRO A 5 0.415 -3.368 -0.334 1.00 82.91 N +ATOM 25 CA PRO A 5 0.867 -4.488 -1.148 1.00 81.47 C +ATOM 26 C PRO A 5 0.136 -5.759 -0.757 1.00 81.50 C +ATOM 27 O PRO A 5 -0.395 -5.873 0.341 1.00 78.98 O +ATOM 28 CB PRO A 5 2.356 -4.575 -0.834 1.00 78.69 C +ATOM 29 CG PRO A 5 2.447 -4.052 0.556 1.00 78.60 C +ATOM 30 CD PRO A 5 1.435 -2.945 0.618 1.00 79.96 C +HETATM 31 N HYP A 6 0.158 -6.723 -1.671 1.00 80.77 N +HETATM 32 CA HYP A 6 -0.429 -7.989 -1.341 1.00 83.25 C +HETATM 33 C HYP A 6 0.267 -8.642 -0.154 1.00 79.19 C +HETATM 34 O HYP A 6 1.490 -8.475 0.028 1.00 80.22 O +HETATM 35 CB HYP A 6 -0.182 -8.805 -2.617 1.00 78.86 C +HETATM 36 CG HYP A 6 -0.166 -7.772 -3.699 1.00 77.44 C +HETATM 37 CD HYP A 6 0.537 -6.614 -3.054 1.00 80.59 C +HETATM 38 OD1 HYP A 6 -1.457 -7.380 -4.073 1.00 77.76 O +ATOM 39 N GLY A 7 -0.519 -9.224 0.706 1.00 79.81 N +ATOM 40 CA GLY A 7 0.033 -9.886 1.853 1.00 77.26 C +ATOM 41 C GLY A 7 0.719 -11.177 1.446 1.00 77.70 C +ATOM 42 O GLY A 7 0.694 -11.573 0.278 1.00 76.22 O +ATOM 43 N PRO A 8 1.306 -11.855 2.406 1.00 74.00 N +ATOM 44 CA PRO A 8 1.919 -13.141 2.108 1.00 75.36 C +ATOM 45 C PRO A 8 0.826 -14.143 1.763 1.00 75.01 C +ATOM 46 O PRO A 8 -0.352 -13.922 2.040 1.00 74.75 O +ATOM 47 CB PRO A 8 2.647 -13.501 3.393 1.00 73.89 C +ATOM 48 CG PRO A 8 1.923 -12.748 4.441 1.00 73.82 C +ATOM 49 CD PRO A 8 1.450 -11.477 3.796 1.00 73.65 C +HETATM 50 N HYP A 9 1.266 -15.261 1.139 1.00 72.18 N +HETATM 51 CA HYP A 9 0.315 -16.263 0.824 1.00 76.49 C +HETATM 52 C HYP A 9 -0.615 -16.588 1.906 1.00 71.89 C +HETATM 53 O HYP A 9 -0.156 -16.712 3.063 1.00 72.21 O +HETATM 54 CB HYP A 9 1.191 -17.421 0.325 1.00 72.16 C +HETATM 55 CG HYP A 9 2.422 -16.709 -0.242 1.00 71.02 C +HETATM 56 CD HYP A 9 2.593 -15.551 0.694 1.00 71.86 C +HETATM 57 OD1 HYP A 9 2.199 -16.202 -1.528 1.00 69.40 O +ATOM 58 N GLY A 10 -1.975 -16.549 1.691 1.00 75.50 N +ATOM 59 CA GLY A 10 -2.978 -16.862 2.671 1.00 72.75 C +ATOM 60 C GLY A 10 -3.453 -15.684 3.509 1.00 72.36 C +ATOM 61 O GLY A 10 -4.337 -15.845 4.342 1.00 69.63 O +ATOM 62 N HIS A 11 -2.878 -14.490 3.315 1.00 70.84 N +ATOM 63 CA HIS A 11 -3.246 -13.313 4.095 1.00 73.08 C +ATOM 64 C HIS A 11 -3.462 -12.119 3.185 1.00 73.77 C +ATOM 65 O HIS A 11 -2.655 -11.855 2.300 1.00 69.86 O +ATOM 66 CB HIS A 11 -2.147 -12.943 5.096 1.00 68.88 C +ATOM 67 CG HIS A 11 -1.705 -14.062 5.978 1.00 66.65 C +ATOM 68 ND1 HIS A 11 -0.666 -14.897 5.649 1.00 63.19 N +ATOM 69 CD2 HIS A 11 -2.165 -14.478 7.176 1.00 61.03 C +ATOM 70 CE1 HIS A 11 -0.516 -15.788 6.617 1.00 61.64 C +ATOM 71 NE2 HIS A 11 -1.406 -15.554 7.564 1.00 62.24 N +ATOM 72 N ALA A 12 -4.540 -11.378 3.421 1.00 69.44 N +ATOM 73 CA ALA A 12 -4.772 -10.151 2.678 1.00 69.90 C +ATOM 74 C ALA A 12 -3.767 -9.105 3.139 1.00 70.84 C +ATOM 75 O ALA A 12 -3.416 -9.049 4.320 1.00 65.58 O +ATOM 76 CB ALA A 12 -6.187 -9.647 2.922 1.00 65.97 C +ATOM 77 N GLY A 13 -3.324 -8.273 2.209 1.00 76.46 N +ATOM 78 CA GLY A 13 -2.399 -7.215 2.577 1.00 74.47 C +ATOM 79 C GLY A 13 -3.117 -6.120 3.331 1.00 74.81 C +ATOM 80 O GLY A 13 -4.345 -6.003 3.279 1.00 73.91 O +ATOM 81 N PRO A 14 -2.378 -5.289 4.063 1.00 73.33 N +ATOM 82 CA PRO A 14 -2.992 -4.187 4.794 1.00 73.87 C +ATOM 83 C PRO A 14 -3.312 -3.047 3.846 1.00 74.42 C +ATOM 84 O PRO A 14 -2.759 -2.953 2.760 1.00 71.76 O +ATOM 85 CB PRO A 14 -1.905 -3.780 5.788 1.00 71.14 C +ATOM 86 CG PRO A 14 -0.643 -4.084 5.057 1.00 69.77 C +ATOM 87 CD PRO A 14 -0.930 -5.348 4.289 1.00 69.12 C +HETATM 88 N HYP A 15 -4.179 -2.172 4.248 1.00 76.88 N +HETATM 89 CA HYP A 15 -4.460 -0.969 3.512 1.00 73.15 C +HETATM 90 C HYP A 15 -3.222 -0.115 3.394 1.00 77.85 C +HETATM 91 O HYP A 15 -2.340 -0.178 4.284 1.00 76.80 O +HETATM 92 CB HYP A 15 -5.531 -0.327 4.400 1.00 74.33 C +HETATM 93 CG HYP A 15 -6.208 -1.522 5.031 1.00 74.44 C +HETATM 94 CD HYP A 15 -5.060 -2.431 5.344 1.00 77.94 C +HETATM 95 OD1 HYP A 15 -7.098 -2.144 4.147 1.00 74.53 O +ATOM 96 N GLY A 16 -3.122 0.626 2.352 1.00 79.94 N +ATOM 97 CA GLY A 16 -1.988 1.491 2.174 1.00 77.99 C +ATOM 98 C GLY A 16 -2.024 2.639 3.168 1.00 78.63 C +ATOM 99 O GLY A 16 -2.989 2.802 3.918 1.00 77.50 O +ATOM 100 N PRO A 17 -0.978 3.463 3.167 1.00 71.72 N +ATOM 101 CA PRO A 17 -0.948 4.600 4.079 1.00 72.16 C +ATOM 102 C PRO A 17 -1.967 5.645 3.669 1.00 72.02 C +ATOM 103 O PRO A 17 -2.442 5.654 2.536 1.00 69.97 O +ATOM 104 CB PRO A 17 0.485 5.118 3.941 1.00 70.53 C +ATOM 105 CG PRO A 17 0.880 4.711 2.568 1.00 69.66 C +ATOM 106 CD PRO A 17 0.227 3.377 2.347 1.00 68.36 C +HETATM 107 N HYP A 18 -2.298 6.536 4.547 1.00 74.05 N +HETATM 108 CA HYP A 18 -3.190 7.616 4.248 1.00 77.47 C +HETATM 109 C HYP A 18 -2.702 8.460 3.098 1.00 74.45 C +HETATM 110 O HYP A 18 -1.464 8.615 2.903 1.00 76.43 O +HETATM 111 CB HYP A 18 -3.201 8.353 5.571 1.00 72.35 C +HETATM 112 CG HYP A 18 -2.970 7.279 6.608 1.00 70.35 C +HETATM 113 CD HYP A 18 -1.949 6.419 5.944 1.00 77.55 C +HETATM 114 OD1 HYP A 18 -4.121 6.524 6.871 1.00 75.36 O +ATOM 115 N GLY A 19 -3.596 8.991 2.316 1.00 73.52 N +ATOM 116 CA GLY A 19 -3.250 9.839 1.206 1.00 71.46 C +ATOM 117 C GLY A 19 -2.626 11.135 1.685 1.00 71.12 C +ATOM 118 O GLY A 19 -2.528 11.391 2.889 1.00 71.61 O +ATOM 119 N PRO A 20 -2.214 11.973 0.742 1.00 67.81 N +ATOM 120 CA PRO A 20 -1.586 13.237 1.120 1.00 70.28 C +ATOM 121 C PRO A 20 -2.590 14.174 1.773 1.00 69.81 C +ATOM 122 O PRO A 20 -3.791 14.027 1.613 1.00 70.24 O +ATOM 123 CB PRO A 20 -1.074 13.777 -0.211 1.00 67.78 C +ATOM 124 CG PRO A 20 -1.978 13.167 -1.219 1.00 64.48 C +ATOM 125 CD PRO A 20 -2.293 11.793 -0.693 1.00 63.82 C +HETATM 126 N HYP A 21 -2.100 15.180 2.497 1.00 72.96 N +HETATM 127 CA HYP A 21 -2.924 16.149 3.096 1.00 74.09 C +HETATM 128 C HYP A 21 -3.750 16.951 2.100 1.00 69.99 C +HETATM 129 O HYP A 21 -3.281 17.154 0.954 1.00 78.70 O +HETATM 130 CB HYP A 21 -1.896 17.104 3.742 1.00 71.73 C +HETATM 131 CG HYP A 21 -0.687 16.235 4.001 1.00 70.34 C +HETATM 132 CD HYP A 21 -0.678 15.318 2.793 1.00 74.50 C +HETATM 133 OD1 HYP A 21 -0.877 15.454 5.178 1.00 76.01 O +ATOM 134 N GLY A 22 -4.958 17.281 2.438 1.00 69.54 N +ATOM 135 CA GLY A 22 -5.808 18.060 1.585 1.00 67.78 C +ATOM 136 C GLY A 22 -5.255 19.464 1.417 1.00 66.20 C +ATOM 137 O GLY A 22 -4.290 19.849 2.083 1.00 66.91 O +ATOM 138 N PRO A 23 -5.861 20.263 0.541 1.00 74.33 N +ATOM 139 CA PRO A 23 -5.376 21.617 0.319 1.00 77.18 C +ATOM 140 C PRO A 23 -5.699 22.504 1.508 1.00 76.64 C +ATOM 141 O PRO A 23 -6.641 22.258 2.248 1.00 74.06 O +ATOM 142 CB PRO A 23 -6.121 22.064 -0.931 1.00 72.22 C +ATOM 143 CG PRO A 23 -7.384 21.284 -0.877 1.00 68.38 C +ATOM 144 CD PRO A 23 -6.998 19.943 -0.302 1.00 71.26 C +HETATM 145 N HYP A 24 -4.929 23.584 1.679 1.00 77.69 N +HETATM 146 CA HYP A 24 -5.274 24.486 2.736 1.00 76.61 C +HETATM 147 C HYP A 24 -6.586 25.152 2.359 1.00 72.86 C +HETATM 148 O HYP A 24 -6.672 25.733 1.265 1.00 80.38 O +HETATM 149 CB HYP A 24 -4.143 25.588 2.683 1.00 76.65 C +HETATM 150 CG HYP A 24 -2.993 24.960 1.946 1.00 75.40 C +HETATM 151 CD HYP A 24 -3.659 23.937 0.992 1.00 79.49 C +HETATM 152 OD1 HYP A 24 -2.197 24.244 2.881 1.00 79.03 O +HETATM 153 OXT HYP A 24 -7.484 24.974 3.182 1.00 73.51 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_31.txt b/protein_pdb_31.txt new file mode 100644 index 0000000000000000000000000000000000000000..8d78b9c25ce136ab870231996fa5f94c66f45439 --- /dev/null +++ b/protein_pdb_31.txt @@ -0,0 +1,203 @@ +ATOM 1 N GLY A 1 -8.682 46.746 8.790 1.00 90.80 N +ATOM 2 CA GLY A 1 -8.836 46.309 7.407 1.00 92.11 C +ATOM 3 C GLY A 1 -9.487 44.941 7.318 1.00 92.50 C +ATOM 4 O GLY A 1 -9.641 44.267 8.340 1.00 90.21 O +ATOM 5 N PRO A 2 -9.852 44.473 6.119 1.00 97.01 N +ATOM 6 CA PRO A 2 -10.486 43.165 5.956 1.00 97.05 C +ATOM 7 C PRO A 2 -9.484 42.033 6.178 1.00 97.11 C +ATOM 8 O PRO A 2 -8.284 42.218 6.038 1.00 96.02 O +ATOM 9 CB PRO A 2 -10.993 43.192 4.516 1.00 94.90 C +ATOM 10 CG PRO A 2 -10.026 44.087 3.821 1.00 92.29 C +ATOM 11 CD PRO A 2 -9.722 45.163 4.834 1.00 94.81 C +HETATM 12 N HYP A 3 -9.980 40.916 6.542 1.00 94.85 N +HETATM 13 CA HYP A 3 -9.161 39.726 6.692 1.00 95.66 C +HETATM 14 C HYP A 3 -8.444 39.343 5.389 1.00 93.99 C +HETATM 15 O HYP A 3 -8.975 39.575 4.287 1.00 95.25 O +HETATM 16 CB HYP A 3 -10.125 38.628 7.122 1.00 91.78 C +HETATM 17 CG HYP A 3 -11.329 39.346 7.631 1.00 89.36 C +HETATM 18 CD HYP A 3 -11.366 40.632 6.812 1.00 93.75 C +HETATM 19 OD1 HYP A 3 -11.231 39.685 8.989 1.00 93.82 O +ATOM 20 N GLY A 4 -7.257 38.756 5.531 1.00 97.04 N +ATOM 21 CA GLY A 4 -6.519 38.324 4.366 1.00 96.37 C +ATOM 22 C GLY A 4 -7.167 37.100 3.741 1.00 96.63 C +ATOM 23 O GLY A 4 -8.090 36.506 4.311 1.00 96.60 O +ATOM 24 N PRO A 5 -6.686 36.688 2.558 1.00 97.90 N +ATOM 25 CA PRO A 5 -7.255 35.524 1.884 1.00 97.78 C +ATOM 26 C PRO A 5 -6.934 34.237 2.628 1.00 97.82 C +ATOM 27 O PRO A 5 -5.952 34.159 3.359 1.00 97.45 O +ATOM 28 CB PRO A 5 -6.602 35.560 0.506 1.00 96.49 C +ATOM 29 CG PRO A 5 -5.295 36.225 0.758 1.00 94.94 C +ATOM 30 CD PRO A 5 -5.601 37.283 1.788 1.00 97.11 C +HETATM 31 N HYP A 6 -7.749 33.239 2.440 1.00 96.88 N +HETATM 32 CA HYP A 6 -7.486 31.919 3.021 1.00 97.29 C +HETATM 33 C HYP A 6 -6.193 31.300 2.533 1.00 95.76 C +HETATM 34 O HYP A 6 -5.794 31.538 1.404 1.00 95.92 O +HETATM 35 CB HYP A 6 -8.722 31.060 2.594 1.00 93.59 C +HETATM 36 CG HYP A 6 -9.803 32.051 2.307 1.00 92.54 C +HETATM 37 CD HYP A 6 -9.033 33.265 1.767 1.00 95.39 C +HETATM 38 OD1 HYP A 6 -10.514 32.421 3.473 1.00 92.34 O +ATOM 39 N GLY A 7 -5.522 30.534 3.408 1.00 97.70 N +ATOM 40 CA GLY A 7 -4.287 29.891 3.033 1.00 97.49 C +ATOM 41 C GLY A 7 -4.541 28.754 2.055 1.00 97.71 C +ATOM 42 O GLY A 7 -5.686 28.370 1.807 1.00 97.82 O +ATOM 43 N PRO A 8 -3.464 28.187 1.490 1.00 97.80 N +ATOM 44 CA PRO A 8 -3.614 27.092 0.540 1.00 97.68 C +ATOM 45 C PRO A 8 -4.079 25.817 1.227 1.00 97.80 C +ATOM 46 O PRO A 8 -3.864 25.630 2.419 1.00 97.28 O +ATOM 47 CB PRO A 8 -2.207 26.940 -0.045 1.00 96.56 C +ATOM 48 CG PRO A 8 -1.326 27.394 1.072 1.00 95.36 C +ATOM 49 CD PRO A 8 -2.064 28.548 1.701 1.00 97.29 C +HETATM 50 N HYP A 9 -4.702 24.923 0.496 1.00 95.88 N +HETATM 51 CA HYP A 9 -5.108 23.620 1.011 1.00 95.79 C +HETATM 52 C HYP A 9 -3.950 22.772 1.443 1.00 92.25 C +HETATM 53 O HYP A 9 -2.877 22.877 0.863 1.00 94.73 O +HETATM 54 CB HYP A 9 -5.826 22.917 -0.213 1.00 91.62 C +HETATM 55 CG HYP A 9 -6.283 24.043 -1.068 1.00 90.29 C +HETATM 56 CD HYP A 9 -5.179 25.101 -0.850 1.00 94.79 C +HETATM 57 OD1 HYP A 9 -7.522 24.570 -0.624 1.00 90.72 O +ATOM 58 N GLY A 10 -4.111 21.963 2.490 1.00 96.49 N +ATOM 59 CA GLY A 10 -3.053 21.117 2.980 1.00 95.54 C +ATOM 60 C GLY A 10 -2.620 20.104 1.923 1.00 95.63 C +ATOM 61 O GLY A 10 -3.368 19.788 0.998 1.00 95.74 O +ATOM 62 N ALA A 11 -1.402 19.581 2.095 1.00 97.19 N +ATOM 63 CA ALA A 11 -0.873 18.598 1.160 1.00 96.60 C +ATOM 64 C ALA A 11 -1.591 17.261 1.318 1.00 96.38 C +ATOM 65 O ALA A 11 -2.040 16.899 2.403 1.00 93.76 O +ATOM 66 CB ALA A 11 0.622 18.412 1.388 1.00 95.04 C +ATOM 67 N LYS A 12 -1.680 16.484 0.216 1.00 97.04 N +ATOM 68 CA LYS A 12 -2.294 15.160 0.256 1.00 96.82 C +ATOM 69 C LYS A 12 -1.404 14.233 1.084 1.00 96.60 C +ATOM 70 O LYS A 12 -0.178 14.335 1.044 1.00 95.65 O +ATOM 71 CB LYS A 12 -2.474 14.620 -1.163 1.00 94.68 C +ATOM 72 CG LYS A 12 -3.188 13.274 -1.217 1.00 88.96 C +ATOM 73 CD LYS A 12 -3.404 12.816 -2.654 1.00 85.05 C +ATOM 74 CE LYS A 12 -4.133 11.487 -2.703 1.00 78.37 C +ATOM 75 NZ LYS A 12 -4.350 11.029 -4.090 1.00 74.08 N +ATOM 76 N GLY A 13 -2.015 13.348 1.842 1.00 96.78 N +ATOM 77 CA GLY A 13 -1.266 12.415 2.665 1.00 96.28 C +ATOM 78 C GLY A 13 -0.454 11.434 1.837 1.00 96.30 C +ATOM 79 O GLY A 13 -0.711 11.229 0.655 1.00 96.24 O +ATOM 80 N ASP A 14 0.537 10.807 2.485 1.00 96.50 N +ATOM 81 CA ASP A 14 1.381 9.822 1.818 1.00 96.61 C +ATOM 82 C ASP A 14 0.600 8.543 1.548 1.00 96.73 C +ATOM 83 O ASP A 14 -0.358 8.215 2.255 1.00 95.17 O +ATOM 84 CB ASP A 14 2.597 9.477 2.677 1.00 94.75 C +ATOM 85 CG ASP A 14 3.540 10.643 2.881 1.00 90.71 C +ATOM 86 OD1 ASP A 14 3.660 11.493 1.974 1.00 87.05 O +ATOM 87 OD2 ASP A 14 4.169 10.699 3.947 1.00 85.60 O +ATOM 88 N ALA A 15 1.031 7.787 0.536 1.00 96.58 N +ATOM 89 CA ALA A 15 0.411 6.498 0.226 1.00 96.71 C +ATOM 90 C ALA A 15 0.701 5.527 1.369 1.00 97.18 C +ATOM 91 O ALA A 15 1.736 5.613 2.029 1.00 95.77 O +ATOM 92 CB ALA A 15 0.960 5.953 -1.091 1.00 94.97 C +ATOM 93 N GLY A 16 -0.218 4.598 1.610 1.00 96.45 N +ATOM 94 CA GLY A 16 -0.041 3.607 2.655 1.00 96.09 C +ATOM 95 C GLY A 16 1.055 2.609 2.305 1.00 96.40 C +ATOM 96 O GLY A 16 1.541 2.571 1.181 1.00 96.82 O +ATOM 97 N PRO A 17 1.460 1.772 3.283 1.00 97.43 N +ATOM 98 CA PRO A 17 2.508 0.779 3.050 1.00 97.38 C +ATOM 99 C PRO A 17 2.023 -0.339 2.140 1.00 97.42 C +ATOM 100 O PRO A 17 0.823 -0.573 2.004 1.00 96.97 O +ATOM 101 CB PRO A 17 2.832 0.263 4.448 1.00 96.10 C +ATOM 102 CG PRO A 17 1.544 0.427 5.177 1.00 95.01 C +ATOM 103 CD PRO A 17 0.974 1.725 4.663 1.00 96.71 C +HETATM 104 N HYP A 18 2.925 -1.058 1.523 1.00 96.39 N +HETATM 105 CA HYP A 18 2.647 -2.215 0.711 1.00 95.28 C +HETATM 106 C HYP A 18 1.919 -3.310 1.463 1.00 95.58 C +HETATM 107 O HYP A 18 2.136 -3.452 2.684 1.00 94.84 O +HETATM 108 CB HYP A 18 4.026 -2.682 0.259 1.00 94.46 C +HETATM 109 CG HYP A 18 4.885 -1.466 0.345 1.00 94.54 C +HETATM 110 CD HYP A 18 4.310 -0.718 1.494 1.00 95.40 C +HETATM 111 OD1 HYP A 18 4.812 -0.695 -0.817 1.00 93.07 O +ATOM 112 N GLY A 19 1.079 -4.044 0.846 1.00 96.90 N +ATOM 113 CA GLY A 19 0.387 -5.134 1.483 1.00 96.06 C +ATOM 114 C GLY A 19 1.354 -6.262 1.826 1.00 96.32 C +ATOM 115 O GLY A 19 2.518 -6.239 1.419 1.00 96.90 O +ATOM 116 N PRO A 20 0.883 -7.278 2.573 1.00 97.39 N +ATOM 117 CA PRO A 20 1.746 -8.392 2.948 1.00 96.82 C +ATOM 118 C PRO A 20 2.139 -9.240 1.742 1.00 96.79 C +ATOM 119 O PRO A 20 1.441 -9.283 0.732 1.00 95.60 O +ATOM 120 CB PRO A 20 0.888 -9.191 3.936 1.00 95.15 C +ATOM 121 CG PRO A 20 -0.501 -8.890 3.502 1.00 94.01 C +ATOM 122 CD PRO A 20 -0.468 -7.437 3.098 1.00 96.44 C +ATOM 123 N ALA A 21 3.278 -9.924 1.862 1.00 95.66 N +ATOM 124 CA ALA A 21 3.752 -10.796 0.795 1.00 95.10 C +ATOM 125 C ALA A 21 2.793 -11.965 0.628 1.00 95.07 C +ATOM 126 O ALA A 21 2.155 -12.408 1.582 1.00 92.46 O +ATOM 127 CB ALA A 21 5.151 -11.308 1.116 1.00 92.33 C +ATOM 128 N GLY A 22 2.704 -12.476 -0.598 1.00 94.78 N +ATOM 129 CA GLY A 22 1.842 -13.599 -0.880 1.00 93.37 C +ATOM 130 C GLY A 22 2.399 -14.890 -0.303 1.00 94.02 C +ATOM 131 O GLY A 22 3.531 -14.926 0.170 1.00 94.82 O +ATOM 132 N PRO A 23 1.620 -15.989 -0.334 1.00 95.34 N +ATOM 133 CA PRO A 23 2.066 -17.266 0.205 1.00 94.78 C +ATOM 134 C PRO A 23 3.143 -17.890 -0.667 1.00 95.00 C +ATOM 135 O PRO A 23 3.282 -17.558 -1.839 1.00 94.13 O +ATOM 136 CB PRO A 23 0.793 -18.106 0.214 1.00 92.21 C +ATOM 137 CG PRO A 23 0.012 -17.553 -0.928 1.00 90.77 C +ATOM 138 CD PRO A 23 0.265 -16.066 -0.874 1.00 93.89 C +HETATM 139 N HYP A 24 3.895 -18.826 -0.106 1.00 95.38 N +HETATM 140 CA HYP A 24 4.898 -19.566 -0.844 1.00 89.59 C +HETATM 141 C HYP A 24 4.300 -20.322 -2.012 1.00 94.77 C +HETATM 142 O HYP A 24 3.126 -20.756 -1.952 1.00 94.27 O +HETATM 143 CB HYP A 24 5.469 -20.521 0.194 1.00 93.51 C +HETATM 144 CG HYP A 24 5.211 -19.874 1.529 1.00 91.55 C +HETATM 145 CD HYP A 24 3.909 -19.145 1.312 1.00 93.31 C +HETATM 146 OD1 HYP A 24 6.207 -18.951 1.878 1.00 91.72 O +ATOM 147 N GLY A 25 5.051 -20.487 -3.079 1.00 94.81 N +ATOM 148 CA GLY A 25 4.599 -21.226 -4.227 1.00 93.57 C +ATOM 149 C GLY A 25 4.503 -22.711 -3.908 1.00 93.83 C +ATOM 150 O GLY A 25 4.951 -23.160 -2.847 1.00 94.58 O +ATOM 151 N PRO A 26 3.933 -23.509 -4.820 1.00 95.44 N +ATOM 152 CA PRO A 26 3.785 -24.944 -4.596 1.00 94.95 C +ATOM 153 C PRO A 26 5.132 -25.656 -4.640 1.00 95.11 C +ATOM 154 O PRO A 26 6.078 -25.183 -5.269 1.00 93.86 O +ATOM 155 CB PRO A 26 2.871 -25.391 -5.729 1.00 92.45 C +ATOM 156 CG PRO A 26 3.164 -24.413 -6.814 1.00 90.96 C +ATOM 157 CD PRO A 26 3.365 -23.098 -6.102 1.00 94.09 C +HETATM 158 N HYP A 27 5.232 -26.815 -4.018 1.00 94.77 N +HETATM 159 CA HYP A 27 6.429 -27.619 -4.050 1.00 91.96 C +HETATM 160 C HYP A 27 6.757 -28.074 -5.485 1.00 94.08 C +HETATM 161 O HYP A 27 5.860 -28.265 -6.316 1.00 92.73 O +HETATM 162 CB HYP A 27 6.016 -28.877 -3.224 1.00 91.47 C +HETATM 163 CG HYP A 27 4.924 -28.401 -2.286 1.00 87.82 C +HETATM 164 CD HYP A 27 4.186 -27.378 -3.128 1.00 92.32 C +HETATM 165 OD1 HYP A 27 5.442 -27.774 -1.144 1.00 88.75 O +ATOM 166 N GLY A 28 8.040 -28.248 -5.758 1.00 93.02 N +ATOM 167 CA GLY A 28 8.459 -28.725 -7.047 1.00 91.76 C +ATOM 168 C GLY A 28 8.024 -30.164 -7.257 1.00 92.52 C +ATOM 169 O GLY A 28 7.536 -30.821 -6.329 1.00 93.08 O +ATOM 170 N PRO A 29 8.210 -30.710 -8.479 1.00 94.21 N +ATOM 171 CA PRO A 29 7.814 -32.087 -8.764 1.00 93.75 C +ATOM 172 C PRO A 29 8.666 -33.083 -7.990 1.00 93.40 C +ATOM 173 O PRO A 29 9.821 -32.808 -7.669 1.00 90.98 O +ATOM 174 CB PRO A 29 8.019 -32.215 -10.268 1.00 90.71 C +ATOM 175 CG PRO A 29 9.079 -31.211 -10.568 1.00 89.73 C +ATOM 176 CD PRO A 29 8.779 -30.052 -9.646 1.00 93.46 C +HETATM 177 N HYP A 30 8.137 -34.293 -7.730 1.00 93.38 N +HETATM 178 CA HYP A 30 8.839 -35.294 -6.976 1.00 91.56 C +HETATM 179 C HYP A 30 10.033 -35.796 -7.742 1.00 92.45 C +HETATM 180 O HYP A 30 10.022 -35.893 -8.967 1.00 91.97 O +HETATM 181 CB HYP A 30 7.774 -36.476 -6.929 1.00 89.70 C +HETATM 182 CG HYP A 30 6.442 -35.832 -7.157 1.00 86.87 C +HETATM 183 CD HYP A 30 6.767 -34.650 -8.058 1.00 90.85 C +HETATM 184 OD1 HYP A 30 5.920 -35.357 -5.938 1.00 86.26 O +ATOM 185 N GLY A 31 11.142 -36.122 -6.969 1.00 90.33 N +ATOM 186 CA GLY A 31 12.341 -36.648 -7.571 1.00 86.75 C +ATOM 187 C GLY A 31 12.128 -38.076 -8.052 1.00 83.33 C +ATOM 188 O GLY A 31 11.100 -38.693 -7.766 1.00 78.57 O +ATOM 189 N TYR A 32 13.128 -38.603 -8.781 1.00 92.09 N +ATOM 190 CA TYR A 32 13.090 -39.960 -9.314 1.00 88.64 C +ATOM 191 C TYR A 32 14.382 -40.685 -8.909 1.00 82.10 C +ATOM 192 O TYR A 32 15.451 -40.075 -8.982 1.00 76.39 O +ATOM 193 CB TYR A 32 12.965 -39.927 -10.835 1.00 82.41 C +ATOM 194 CG TYR A 32 12.938 -41.290 -11.492 1.00 76.77 C +ATOM 195 CD1 TYR A 32 11.791 -42.068 -11.447 1.00 76.02 C +ATOM 196 CD2 TYR A 32 14.062 -41.797 -12.136 1.00 71.32 C +ATOM 197 CE1 TYR A 32 11.761 -43.326 -12.025 1.00 70.56 C +ATOM 198 CE2 TYR A 32 14.034 -43.055 -12.719 1.00 73.28 C +ATOM 199 CZ TYR A 32 12.891 -43.810 -12.660 1.00 67.48 C +ATOM 200 OH TYR A 32 12.860 -45.062 -13.226 1.00 68.25 O +ATOM 201 OXT TYR A 32 14.326 -41.864 -8.535 1.00 66.99 O +TER 202 TYR A 32 +END diff --git a/protein_pdb_310.txt b/protein_pdb_310.txt new file mode 100644 index 0000000000000000000000000000000000000000..9c71eb4e30642948c8af8ca16576bd5d30e0854a --- /dev/null +++ b/protein_pdb_310.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -5.202 15.104 4.916 1.00 87.34 N +ATOM 2 CA GLY A 1 -5.959 14.094 4.252 1.00 88.00 C +ATOM 3 C GLY A 1 -5.876 12.742 4.923 1.00 88.00 C +ATOM 4 O GLY A 1 -4.984 12.495 5.729 1.00 85.50 O +ATOM 5 N PRO A 2 -6.757 11.871 4.586 1.00 88.21 N +ATOM 6 CA PRO A 2 -6.771 10.539 5.173 1.00 88.17 C +ATOM 7 C PRO A 2 -5.703 9.646 4.569 1.00 87.81 C +ATOM 8 O PRO A 2 -5.146 9.941 3.513 1.00 84.72 O +ATOM 9 CB PRO A 2 -8.168 10.037 4.837 1.00 84.46 C +ATOM 10 CG PRO A 2 -8.485 10.723 3.561 1.00 81.13 C +ATOM 11 CD PRO A 2 -7.868 12.087 3.669 1.00 83.46 C +HETATM 12 N HYP A 3 -5.452 8.544 5.246 1.00 88.97 N +HETATM 13 CA HYP A 3 -4.511 7.577 4.720 1.00 86.05 C +HETATM 14 C HYP A 3 -5.027 6.966 3.402 1.00 88.37 C +HETATM 15 O HYP A 3 -6.253 6.894 3.198 1.00 90.70 O +HETATM 16 CB HYP A 3 -4.542 6.463 5.828 1.00 86.68 C +HETATM 17 CG HYP A 3 -4.878 7.231 7.101 1.00 82.08 C +HETATM 18 CD HYP A 3 -5.895 8.274 6.583 1.00 87.33 C +HETATM 19 OD1 HYP A 3 -3.725 7.873 7.562 1.00 84.24 O +ATOM 20 N GLY A 4 -4.103 6.649 2.544 1.00 90.04 N +ATOM 21 CA GLY A 4 -4.460 6.043 1.294 1.00 89.35 C +ATOM 22 C GLY A 4 -4.961 4.625 1.485 1.00 90.62 C +ATOM 23 O GLY A 4 -4.916 4.068 2.584 1.00 90.43 O +ATOM 24 N PRO A 5 -5.445 4.006 0.405 1.00 89.51 N +ATOM 25 CA PRO A 5 -5.951 2.645 0.487 1.00 89.57 C +ATOM 26 C PRO A 5 -4.821 1.639 0.650 1.00 89.20 C +ATOM 27 O PRO A 5 -3.663 1.936 0.392 1.00 87.44 O +ATOM 28 CB PRO A 5 -6.671 2.458 -0.843 1.00 87.92 C +ATOM 29 CG PRO A 5 -5.940 3.363 -1.772 1.00 86.25 C +ATOM 30 CD PRO A 5 -5.544 4.550 -0.948 1.00 88.03 C +HETATM 31 N HYP A 6 -5.197 0.439 1.106 1.00 87.67 N +HETATM 32 CA HYP A 6 -4.232 -0.642 1.182 1.00 92.05 C +HETATM 33 C HYP A 6 -3.616 -0.962 -0.162 1.00 90.09 C +HETATM 34 O HYP A 6 -4.278 -0.778 -1.202 1.00 89.53 O +HETATM 35 CB HYP A 6 -5.098 -1.832 1.676 1.00 81.63 C +HETATM 36 CG HYP A 6 -6.229 -1.181 2.433 1.00 82.22 C +HETATM 37 CD HYP A 6 -6.501 0.060 1.592 1.00 85.95 C +HETATM 38 OD1 HYP A 6 -5.792 -0.803 3.718 1.00 84.27 O +ATOM 39 N GLY A 7 -2.380 -1.357 -0.171 1.00 89.11 N +ATOM 40 CA GLY A 7 -1.695 -1.721 -1.381 1.00 87.76 C +ATOM 41 C GLY A 7 -2.235 -3.001 -1.979 1.00 88.50 C +ATOM 42 O GLY A 7 -3.061 -3.695 -1.383 1.00 87.55 O +ATOM 43 N PRO A 8 -1.768 -3.345 -3.173 1.00 86.20 N +ATOM 44 CA PRO A 8 -2.221 -4.565 -3.827 1.00 86.06 C +ATOM 45 C PRO A 8 -1.742 -5.815 -3.105 1.00 86.21 C +ATOM 46 O PRO A 8 -0.738 -5.795 -2.407 1.00 84.34 O +ATOM 47 CB PRO A 8 -1.601 -4.498 -5.225 1.00 83.67 C +ATOM 48 CG PRO A 8 -1.018 -3.153 -5.345 1.00 82.52 C +ATOM 49 CD PRO A 8 -0.806 -2.609 -3.981 1.00 83.88 C +HETATM 50 N HYP A 9 -2.449 -6.928 -3.304 1.00 83.08 N +HETATM 51 CA HYP A 9 -2.064 -8.179 -2.774 1.00 80.29 C +HETATM 52 C HYP A 9 -0.761 -8.703 -3.375 1.00 84.69 C +HETATM 53 O HYP A 9 -0.499 -8.485 -4.564 1.00 85.27 O +HETATM 54 CB HYP A 9 -3.178 -9.165 -3.244 1.00 76.36 C +HETATM 55 CG HYP A 9 -4.352 -8.308 -3.483 1.00 76.47 C +HETATM 56 CD HYP A 9 -3.776 -6.998 -3.952 1.00 82.60 C +HETATM 57 OD1 HYP A 9 -5.016 -8.098 -2.247 1.00 76.05 O +ATOM 58 N GLY A 10 0.095 -9.271 -2.614 1.00 84.08 N +ATOM 59 CA GLY A 10 1.239 -9.983 -3.121 1.00 79.70 C +ATOM 60 C GLY A 10 0.819 -11.329 -3.672 1.00 79.84 C +ATOM 61 O GLY A 10 -0.362 -11.689 -3.663 1.00 78.70 O +ATOM 62 N ALA A 11 1.788 -12.094 -4.140 1.00 81.64 N +ATOM 63 CA ALA A 11 1.477 -13.406 -4.687 1.00 84.48 C +ATOM 64 C ALA A 11 0.765 -14.283 -3.674 1.00 85.47 C +ATOM 65 O ALA A 11 -0.168 -15.017 -4.015 1.00 83.70 O +ATOM 66 CB ALA A 11 2.754 -14.076 -5.173 1.00 82.30 C +ATOM 67 N HIS A 12 1.216 -14.209 -2.430 1.00 87.44 N +ATOM 68 CA HIS A 12 0.614 -14.972 -1.342 1.00 90.38 C +ATOM 69 C HIS A 12 0.342 -14.096 -0.130 1.00 89.94 C +ATOM 70 O HIS A 12 0.066 -14.614 0.954 1.00 85.85 O +ATOM 71 CB HIS A 12 1.537 -16.122 -0.936 1.00 88.80 C +ATOM 72 CG HIS A 12 1.868 -17.053 -2.062 1.00 84.86 C +ATOM 73 ND1 HIS A 12 0.990 -18.008 -2.523 1.00 79.94 N +ATOM 74 CD2 HIS A 12 2.976 -17.160 -2.817 1.00 76.77 C +ATOM 75 CE1 HIS A 12 1.557 -18.655 -3.524 1.00 78.34 C +ATOM 76 NE2 HIS A 12 2.762 -18.173 -3.724 1.00 79.66 N +ATOM 77 N GLY A 13 0.443 -12.819 -0.289 1.00 87.92 N +ATOM 78 CA GLY A 13 0.385 -11.917 0.836 1.00 86.10 C +ATOM 79 C GLY A 13 -0.832 -11.027 0.857 1.00 86.61 C +ATOM 80 O GLY A 13 -1.555 -10.906 -0.138 1.00 85.73 O +ATOM 81 N PRO A 14 -1.069 -10.417 1.987 1.00 89.33 N +ATOM 82 CA PRO A 14 -2.196 -9.509 2.141 1.00 88.77 C +ATOM 83 C PRO A 14 -1.935 -8.194 1.437 1.00 89.02 C +ATOM 84 O PRO A 14 -0.834 -7.920 0.978 1.00 87.15 O +ATOM 85 CB PRO A 14 -2.284 -9.318 3.650 1.00 86.95 C +ATOM 86 CG PRO A 14 -0.866 -9.439 4.102 1.00 86.10 C +ATOM 87 CD PRO A 14 -0.257 -10.486 3.212 1.00 86.14 C +HETATM 88 N HYP A 15 -2.987 -7.418 1.376 1.00 86.28 N +HETATM 89 CA HYP A 15 -2.815 -6.080 0.878 1.00 87.65 C +HETATM 90 C HYP A 15 -1.782 -5.328 1.646 1.00 89.25 C +HETATM 91 O HYP A 15 -1.581 -5.617 2.861 1.00 88.89 O +HETATM 92 CB HYP A 15 -4.239 -5.498 1.089 1.00 84.10 C +HETATM 93 CG HYP A 15 -5.161 -6.689 1.020 1.00 83.47 C +HETATM 94 CD HYP A 15 -4.365 -7.770 1.703 1.00 86.54 C +HETATM 95 OD1 HYP A 15 -5.401 -7.025 -0.315 1.00 84.23 O +ATOM 96 N GLY A 16 -1.102 -4.439 0.997 1.00 89.54 N +ATOM 97 CA GLY A 16 -0.127 -3.623 1.664 1.00 88.49 C +ATOM 98 C GLY A 16 -0.779 -2.678 2.649 1.00 89.53 C +ATOM 99 O GLY A 16 -2.006 -2.569 2.715 1.00 88.40 O +ATOM 100 N PRO A 17 0.047 -1.983 3.421 1.00 86.92 N +ATOM 101 CA PRO A 17 -0.489 -1.040 4.392 1.00 86.46 C +ATOM 102 C PRO A 17 -1.112 0.164 3.713 1.00 87.42 C +ATOM 103 O PRO A 17 -0.858 0.439 2.547 1.00 85.50 O +ATOM 104 CB PRO A 17 0.735 -0.654 5.221 1.00 84.82 C +ATOM 105 CG PRO A 17 1.881 -0.898 4.325 1.00 83.06 C +ATOM 106 CD PRO A 17 1.504 -2.048 3.442 1.00 83.86 C +HETATM 107 N HYP A 18 -1.952 0.870 4.456 1.00 82.95 N +HETATM 108 CA HYP A 18 -2.500 2.076 3.966 1.00 83.77 C +HETATM 109 C HYP A 18 -1.454 3.071 3.562 1.00 83.25 C +HETATM 110 O HYP A 18 -0.349 3.091 4.162 1.00 86.45 O +HETATM 111 CB HYP A 18 -3.307 2.588 5.176 1.00 79.66 C +HETATM 112 CG HYP A 18 -3.692 1.325 5.937 1.00 80.35 C +HETATM 113 CD HYP A 18 -2.445 0.489 5.771 1.00 84.78 C +HETATM 114 OD1 HYP A 18 -4.783 0.695 5.288 1.00 83.25 O +ATOM 115 N GLY A 19 -1.738 3.836 2.573 1.00 80.12 N +ATOM 116 CA GLY A 19 -0.839 4.866 2.128 1.00 79.46 C +ATOM 117 C GLY A 19 -0.681 5.953 3.169 1.00 79.82 C +ATOM 118 O GLY A 19 -1.383 5.977 4.178 1.00 80.53 O +ATOM 119 N PRO A 20 0.249 6.858 2.922 1.00 74.51 N +ATOM 120 CA PRO A 20 0.494 7.929 3.879 1.00 75.28 C +ATOM 121 C PRO A 20 -0.648 8.927 3.914 1.00 74.61 C +ATOM 122 O PRO A 20 -1.423 9.046 2.970 1.00 75.18 O +ATOM 123 CB PRO A 20 1.779 8.566 3.360 1.00 73.83 C +ATOM 124 CG PRO A 20 1.756 8.288 1.901 1.00 71.95 C +ATOM 125 CD PRO A 20 1.117 6.940 1.758 1.00 71.73 C +HETATM 126 N HYP A 21 -0.740 9.629 5.015 1.00 83.46 N +HETATM 127 CA HYP A 21 -1.690 10.679 5.138 1.00 84.49 C +HETATM 128 C HYP A 21 -1.495 11.790 4.125 1.00 83.39 C +HETATM 129 O HYP A 21 -0.342 12.092 3.789 1.00 88.14 O +HETATM 130 CB HYP A 21 -1.452 11.247 6.556 1.00 80.44 C +HETATM 131 CG HYP A 21 -0.778 10.144 7.330 1.00 74.28 C +HETATM 132 CD HYP A 21 0.046 9.444 6.265 1.00 83.12 C +HETATM 133 OD1 HYP A 21 -1.795 9.241 7.789 1.00 77.17 O +ATOM 134 N GLY A 22 -2.530 12.301 3.609 1.00 79.64 N +ATOM 135 CA GLY A 22 -2.433 13.454 2.758 1.00 78.18 C +ATOM 136 C GLY A 22 -2.151 14.696 3.591 1.00 78.40 C +ATOM 137 O GLY A 22 -2.134 14.642 4.816 1.00 78.70 O +ATOM 138 N PRO A 23 -1.936 15.837 2.947 1.00 85.73 N +ATOM 139 CA PRO A 23 -1.708 17.067 3.696 1.00 86.38 C +ATOM 140 C PRO A 23 -3.020 17.548 4.299 1.00 85.24 C +ATOM 141 O PRO A 23 -3.955 17.874 3.571 1.00 81.42 O +ATOM 142 CB PRO A 23 -1.164 18.028 2.648 1.00 82.27 C +ATOM 143 CG PRO A 23 -1.721 17.524 1.367 1.00 79.24 C +ATOM 144 CD PRO A 23 -1.857 16.033 1.511 1.00 81.96 C +HETATM 145 N HYP A 24 -3.176 17.459 5.528 1.00 89.79 N +HETATM 146 CA HYP A 24 -4.556 17.359 6.188 1.00 83.41 C +HETATM 147 C HYP A 24 -5.325 16.269 5.987 1.00 90.06 C +HETATM 148 O HYP A 24 -6.666 16.410 5.870 1.00 90.25 O +HETATM 149 CB HYP A 24 -4.374 18.030 7.520 1.00 83.65 C +HETATM 150 CG HYP A 24 -3.223 19.003 7.298 1.00 83.24 C +HETATM 151 CD HYP A 24 -2.321 18.308 6.224 1.00 87.09 C +HETATM 152 OD1 HYP A 24 -2.521 19.322 8.464 1.00 85.32 O +HETATM 153 OXT HYP A 24 -5.149 15.181 6.831 1.00 86.81 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_311.txt b/protein_pdb_311.txt new file mode 100644 index 0000000000000000000000000000000000000000..49588b5bd2987b1c5d6ffbbc818a52526ebd8cea --- /dev/null +++ b/protein_pdb_311.txt @@ -0,0 +1,210 @@ +ATOM 1 N GLY A 1 16.773 36.255 20.160 1.00 92.64 N +ATOM 2 CA GLY A 1 17.016 34.848 20.479 1.00 93.80 C +ATOM 3 C GLY A 1 16.908 33.976 19.248 1.00 93.73 C +ATOM 4 O GLY A 1 16.387 34.411 18.229 1.00 91.98 O +ATOM 5 N PRO A 2 17.392 32.729 19.307 1.00 96.32 N +ATOM 6 CA PRO A 2 17.317 31.833 18.158 1.00 96.37 C +ATOM 7 C PRO A 2 15.884 31.396 17.888 1.00 96.32 C +ATOM 8 O PRO A 2 15.039 31.415 18.777 1.00 94.95 O +ATOM 9 CB PRO A 2 18.189 30.650 18.575 1.00 94.37 C +ATOM 10 CG PRO A 2 18.070 30.642 20.062 1.00 91.78 C +ATOM 11 CD PRO A 2 18.023 32.104 20.448 1.00 94.03 C +HETATM 12 N HYP A 3 15.616 31.041 16.698 1.00 93.05 N +HETATM 13 CA HYP A 3 14.334 30.506 16.311 1.00 94.58 C +HETATM 14 C HYP A 3 13.970 29.246 17.130 1.00 92.37 C +HETATM 15 O HYP A 3 14.867 28.491 17.547 1.00 93.71 O +HETATM 16 CB HYP A 3 14.476 30.194 14.827 1.00 90.72 C +HETATM 17 CG HYP A 3 15.614 31.059 14.347 1.00 89.11 C +HETATM 18 CD HYP A 3 16.545 31.127 15.576 1.00 92.86 C +HETATM 19 OD1 HYP A 3 15.191 32.353 14.049 1.00 92.63 O +ATOM 20 N GLY A 4 12.673 29.085 17.336 1.00 96.00 N +ATOM 21 CA GLY A 4 12.226 27.917 18.047 1.00 95.16 C +ATOM 22 C GLY A 4 12.399 26.663 17.213 1.00 95.31 C +ATOM 23 O GLY A 4 12.688 26.737 16.016 1.00 95.39 O +ATOM 24 N PRO A 5 12.226 25.482 17.821 1.00 96.60 N +ATOM 25 CA PRO A 5 12.380 24.228 17.097 1.00 96.06 C +ATOM 26 C PRO A 5 11.285 24.054 16.050 1.00 96.21 C +ATOM 27 O PRO A 5 10.199 24.613 16.177 1.00 95.71 O +ATOM 28 CB PRO A 5 12.289 23.167 18.188 1.00 94.36 C +ATOM 29 CG PRO A 5 11.441 23.817 19.228 1.00 92.82 C +ATOM 30 CD PRO A 5 11.850 25.274 19.206 1.00 95.15 C +HETATM 31 N HYP A 6 11.557 23.306 15.039 1.00 93.58 N +HETATM 32 CA HYP A 6 10.568 22.969 14.015 1.00 94.75 C +HETATM 33 C HYP A 6 9.337 22.286 14.605 1.00 91.68 C +HETATM 34 O HYP A 6 9.462 21.567 15.609 1.00 92.85 O +HETATM 35 CB HYP A 6 11.320 22.040 13.040 1.00 90.25 C +HETATM 36 CG HYP A 6 12.762 22.430 13.203 1.00 90.19 C +HETATM 37 CD HYP A 6 12.860 22.795 14.709 1.00 93.32 C +HETATM 38 OD1 HYP A 6 13.070 23.564 12.444 1.00 90.45 O +ATOM 39 N GLY A 7 8.190 22.532 13.966 1.00 95.30 N +ATOM 40 CA GLY A 7 6.971 21.911 14.407 1.00 94.07 C +ATOM 41 C GLY A 7 7.022 20.404 14.244 1.00 94.39 C +ATOM 42 O GLY A 7 7.808 19.866 13.465 1.00 94.50 O +ATOM 43 N ARG A 8 6.155 19.728 14.980 1.00 95.15 N +ATOM 44 CA ARG A 8 6.078 18.278 14.935 1.00 94.87 C +ATOM 45 C ARG A 8 5.567 17.824 13.577 1.00 95.05 C +ATOM 46 O ARG A 8 4.644 18.409 13.033 1.00 95.17 O +ATOM 47 CB ARG A 8 5.151 17.796 16.049 1.00 92.30 C +ATOM 48 CG ARG A 8 5.084 16.298 16.212 1.00 86.61 C +ATOM 49 CD ARG A 8 4.221 15.942 17.414 1.00 83.87 C +ATOM 50 NE ARG A 8 4.131 14.510 17.619 1.00 80.33 N +ATOM 51 CZ ARG A 8 3.472 13.924 18.612 1.00 76.76 C +ATOM 52 NH1 ARG A 8 2.846 14.660 19.508 1.00 74.33 N +ATOM 53 NH2 ARG A 8 3.453 12.618 18.716 1.00 73.40 N +HETATM 54 N HYP A 9 6.113 16.758 13.018 1.00 92.05 N +HETATM 55 CA HYP A 9 5.671 16.244 11.732 1.00 92.12 C +HETATM 56 C HYP A 9 4.209 15.754 11.806 1.00 89.91 C +HETATM 57 O HYP A 9 3.768 15.243 12.865 1.00 91.56 O +HETATM 58 CB HYP A 9 6.581 15.009 11.404 1.00 88.91 C +HETATM 59 CG HYP A 9 7.824 15.287 12.168 1.00 87.44 C +HETATM 60 CD HYP A 9 7.323 15.964 13.422 1.00 91.43 C +HETATM 61 OD1 HYP A 9 8.640 16.166 11.452 1.00 87.52 O +ATOM 62 N GLY A 10 3.518 15.895 10.688 1.00 94.23 N +ATOM 63 CA GLY A 10 2.178 15.390 10.622 1.00 92.57 C +ATOM 64 C GLY A 10 2.175 13.874 10.748 1.00 92.28 C +ATOM 65 O GLY A 10 3.175 13.210 10.465 1.00 92.21 O +ATOM 66 N ARG A 11 1.038 13.317 11.167 1.00 95.27 N +ATOM 67 CA ARG A 11 0.911 11.873 11.302 1.00 94.41 C +ATOM 68 C ARG A 11 0.904 11.235 9.915 1.00 94.25 C +ATOM 69 O ARG A 11 0.341 11.786 8.976 1.00 93.32 O +ATOM 70 CB ARG A 11 -0.348 11.505 12.069 1.00 92.24 C +ATOM 71 CG ARG A 11 -0.377 12.089 13.482 1.00 86.55 C +ATOM 72 CD ARG A 11 -1.603 11.661 14.250 1.00 82.52 C +ATOM 73 NE ARG A 11 -1.542 10.269 14.669 1.00 77.47 N +ATOM 74 CZ ARG A 11 -2.496 9.635 15.326 1.00 73.52 C +ATOM 75 NH1 ARG A 11 -3.615 10.253 15.642 1.00 70.34 N +ATOM 76 NH2 ARG A 11 -2.346 8.369 15.676 1.00 69.19 N +ATOM 77 N LYS A 12 1.529 10.064 9.794 1.00 93.84 N +ATOM 78 CA LYS A 12 1.573 9.351 8.529 1.00 93.94 C +ATOM 79 C LYS A 12 0.155 8.974 8.114 1.00 94.55 C +ATOM 80 O LYS A 12 -0.644 8.529 8.933 1.00 93.42 O +ATOM 81 CB LYS A 12 2.452 8.100 8.668 1.00 91.13 C +ATOM 82 CG LYS A 12 2.653 7.338 7.364 1.00 85.24 C +ATOM 83 CD LYS A 12 3.629 6.182 7.533 1.00 82.01 C +ATOM 84 CE LYS A 12 3.860 5.443 6.221 1.00 75.33 C +ATOM 85 NZ LYS A 12 4.848 4.352 6.376 1.00 71.71 N +ATOM 86 N GLY A 13 -0.143 9.184 6.827 1.00 94.28 N +ATOM 87 CA GLY A 13 -1.464 8.845 6.335 1.00 93.27 C +ATOM 88 C GLY A 13 -1.704 7.350 6.361 1.00 93.55 C +ATOM 89 O GLY A 13 -0.759 6.556 6.358 1.00 93.21 O +ATOM 90 N ARG A 14 -2.959 6.965 6.394 1.00 95.45 N +ATOM 91 CA ARG A 14 -3.328 5.554 6.385 1.00 95.37 C +ATOM 92 C ARG A 14 -2.985 4.944 5.038 1.00 95.95 C +ATOM 93 O ARG A 14 -3.061 5.608 4.014 1.00 95.83 O +ATOM 94 CB ARG A 14 -4.818 5.384 6.637 1.00 92.79 C +ATOM 95 CG ARG A 14 -5.237 5.628 8.075 1.00 86.15 C +ATOM 96 CD ARG A 14 -6.709 5.274 8.250 1.00 82.06 C +ATOM 97 NE ARG A 14 -7.109 5.243 9.648 1.00 76.73 N +ATOM 98 CZ ARG A 14 -8.283 4.824 10.081 1.00 74.16 C +ATOM 99 NH1 ARG A 14 -9.209 4.408 9.231 1.00 70.96 N +ATOM 100 NH2 ARG A 14 -8.547 4.818 11.369 1.00 70.57 N +HETATM 101 N HYP A 15 -2.637 3.679 5.015 1.00 94.05 N +HETATM 102 CA HYP A 15 -2.434 2.970 3.763 1.00 93.92 C +HETATM 103 C HYP A 15 -3.722 2.934 2.946 1.00 94.43 C +HETATM 104 O HYP A 15 -4.834 2.989 3.525 1.00 91.76 O +HETATM 105 CB HYP A 15 -2.013 1.568 4.215 1.00 91.93 C +HETATM 106 CG HYP A 15 -1.400 1.797 5.587 1.00 89.57 C +HETATM 107 CD HYP A 15 -2.253 2.874 6.187 1.00 91.97 C +HETATM 108 OD1 HYP A 15 -0.068 2.231 5.491 1.00 89.69 O +ATOM 109 N GLY A 16 -3.581 2.851 1.667 1.00 96.33 N +ATOM 110 CA GLY A 16 -4.744 2.720 0.825 1.00 95.49 C +ATOM 111 C GLY A 16 -5.408 1.363 1.025 1.00 95.80 C +ATOM 112 O GLY A 16 -4.815 0.449 1.615 1.00 96.17 O +ATOM 113 N PRO A 17 -6.647 1.198 0.526 1.00 96.82 N +ATOM 114 CA PRO A 17 -7.347 -0.076 0.660 1.00 96.65 C +ATOM 115 C PRO A 17 -6.698 -1.151 -0.200 1.00 96.81 C +ATOM 116 O PRO A 17 -6.035 -0.853 -1.187 1.00 96.55 O +ATOM 117 CB PRO A 17 -8.762 0.251 0.195 1.00 95.53 C +ATOM 118 CG PRO A 17 -8.566 1.358 -0.777 1.00 94.59 C +ATOM 119 CD PRO A 17 -7.447 2.180 -0.193 1.00 95.96 C +HETATM 120 N HYP A 18 -6.874 -2.407 0.117 1.00 95.99 N +HETATM 121 CA HYP A 18 -6.429 -3.511 -0.654 1.00 95.47 C +HETATM 122 C HYP A 18 -7.005 -3.486 -2.076 1.00 94.39 C +HETATM 123 O HYP A 18 -8.132 -2.996 -2.281 1.00 94.54 O +HETATM 124 CB HYP A 18 -6.910 -4.732 0.103 1.00 93.60 C +HETATM 125 CG HYP A 18 -7.012 -4.272 1.522 1.00 91.97 C +HETATM 126 CD HYP A 18 -7.470 -2.845 1.371 1.00 94.42 C +HETATM 127 OD1 HYP A 18 -5.758 -4.296 2.168 1.00 91.58 O +ATOM 128 N GLY A 19 -6.260 -3.949 -3.007 1.00 96.64 N +ATOM 129 CA GLY A 19 -6.746 -4.027 -4.359 1.00 95.88 C +ATOM 130 C GLY A 19 -7.860 -5.060 -4.469 1.00 96.04 C +ATOM 131 O GLY A 19 -8.080 -5.853 -3.547 1.00 96.39 O +ATOM 132 N PRO A 20 -8.576 -5.079 -5.597 1.00 97.02 N +ATOM 133 CA PRO A 20 -9.661 -6.036 -5.786 1.00 96.88 C +ATOM 134 C PRO A 20 -9.120 -7.450 -5.923 1.00 97.01 C +ATOM 135 O PRO A 20 -7.981 -7.657 -6.327 1.00 96.46 O +ATOM 136 CB PRO A 20 -10.335 -5.563 -7.064 1.00 95.59 C +ATOM 137 CG PRO A 20 -9.236 -4.891 -7.815 1.00 94.09 C +ATOM 138 CD PRO A 20 -8.416 -4.206 -6.751 1.00 96.18 C +HETATM 139 N HYP A 21 -9.912 -8.448 -5.612 1.00 96.28 N +HETATM 140 CA HYP A 21 -9.573 -9.816 -5.803 1.00 95.96 C +HETATM 141 C HYP A 21 -9.283 -10.140 -7.274 1.00 96.39 C +HETATM 142 O HYP A 21 -9.825 -9.495 -8.178 1.00 94.60 O +HETATM 143 CB HYP A 21 -10.812 -10.587 -5.328 1.00 94.57 C +HETATM 144 CG HYP A 21 -11.443 -9.683 -4.324 1.00 93.10 C +HETATM 145 CD HYP A 21 -11.178 -8.313 -4.917 1.00 94.86 C +HETATM 146 OD1 HYP A 21 -10.810 -9.770 -3.070 1.00 91.13 O +ATOM 147 N GLY A 22 -8.419 -11.097 -7.496 1.00 96.12 N +ATOM 148 CA GLY A 22 -8.128 -11.521 -8.838 1.00 95.58 C +ATOM 149 C GLY A 22 -9.337 -12.191 -9.464 1.00 95.90 C +ATOM 150 O GLY A 22 -10.307 -12.515 -8.776 1.00 96.33 O +ATOM 151 N PRO A 23 -9.307 -12.420 -10.778 1.00 96.84 N +ATOM 152 CA PRO A 23 -10.431 -13.048 -11.463 1.00 96.55 C +ATOM 153 C PRO A 23 -10.569 -14.513 -11.063 1.00 96.84 C +ATOM 154 O PRO A 23 -9.605 -15.149 -10.650 1.00 96.28 O +ATOM 155 CB PRO A 23 -10.073 -12.894 -12.935 1.00 95.09 C +ATOM 156 CG PRO A 23 -8.585 -12.870 -12.936 1.00 93.05 C +ATOM 157 CD PRO A 23 -8.220 -12.103 -11.695 1.00 95.62 C +HETATM 158 N HYP A 24 -11.759 -15.076 -11.182 1.00 96.18 N +HETATM 159 CA HYP A 24 -11.993 -16.468 -10.955 1.00 95.57 C +HETATM 160 C HYP A 24 -11.139 -17.334 -11.875 1.00 96.06 C +HETATM 161 O HYP A 24 -10.809 -16.932 -12.996 1.00 94.49 O +HETATM 162 CB HYP A 24 -13.474 -16.632 -11.245 1.00 94.55 C +HETATM 163 CG HYP A 24 -14.081 -15.311 -10.952 1.00 93.65 C +HETATM 164 CD HYP A 24 -12.993 -14.350 -11.424 1.00 94.47 C +HETATM 165 OD1 HYP A 24 -14.295 -15.109 -9.583 1.00 91.44 O +ATOM 166 N GLY A 25 -10.762 -18.516 -11.395 1.00 95.91 N +ATOM 167 CA GLY A 25 -10.015 -19.443 -12.200 1.00 95.17 C +ATOM 168 C GLY A 25 -10.851 -19.961 -13.355 1.00 95.32 C +ATOM 169 O GLY A 25 -12.067 -19.753 -13.400 1.00 95.70 O +ATOM 170 N PRO A 26 -10.229 -20.646 -14.302 1.00 96.50 N +ATOM 171 CA PRO A 26 -10.954 -21.180 -15.451 1.00 96.29 C +ATOM 172 C PRO A 26 -11.885 -22.308 -15.042 1.00 96.43 C +ATOM 173 O PRO A 26 -11.681 -22.954 -14.017 1.00 95.92 O +ATOM 174 CB PRO A 26 -9.842 -21.657 -16.381 1.00 94.70 C +ATOM 175 CG PRO A 26 -8.732 -22.002 -15.448 1.00 92.76 C +ATOM 176 CD PRO A 26 -8.809 -20.960 -14.366 1.00 95.36 C +HETATM 177 N HYP A 27 -12.903 -22.581 -15.840 1.00 95.37 N +HETATM 178 CA HYP A 27 -13.804 -23.685 -15.586 1.00 95.17 C +HETATM 179 C HYP A 27 -13.075 -25.011 -15.541 1.00 95.89 C +HETATM 180 O HYP A 27 -12.068 -25.217 -16.242 1.00 94.24 O +HETATM 181 CB HYP A 27 -14.746 -23.637 -16.795 1.00 93.71 C +HETATM 182 CG HYP A 27 -14.727 -22.222 -17.278 1.00 92.04 C +HETATM 183 CD HYP A 27 -13.300 -21.792 -17.008 1.00 93.58 C +HETATM 184 OD1 HYP A 27 -15.600 -21.402 -16.506 1.00 89.77 O +ATOM 185 N GLY A 28 -13.537 -25.938 -14.685 1.00 94.43 N +ATOM 186 CA GLY A 28 -12.976 -27.257 -14.620 1.00 93.48 C +ATOM 187 C GLY A 28 -13.288 -28.046 -15.881 1.00 93.92 C +ATOM 188 O GLY A 28 -14.098 -27.619 -16.702 1.00 94.21 O +ATOM 189 N PRO A 29 -12.680 -29.217 -16.050 1.00 95.34 N +ATOM 190 CA PRO A 29 -12.929 -30.036 -17.226 1.00 95.18 C +ATOM 191 C PRO A 29 -14.349 -30.579 -17.222 1.00 95.03 C +ATOM 192 O PRO A 29 -14.965 -30.717 -16.168 1.00 93.62 O +ATOM 193 CB PRO A 29 -11.892 -31.144 -17.119 1.00 92.91 C +ATOM 194 CG PRO A 29 -11.639 -31.246 -15.660 1.00 90.88 C +ATOM 195 CD PRO A 29 -11.724 -29.830 -15.152 1.00 93.54 C +HETATM 196 N HYP A 30 -14.860 -30.918 -18.406 1.00 89.59 N +HETATM 197 CA HYP A 30 -16.167 -31.463 -18.526 1.00 91.09 C +HETATM 198 C HYP A 30 -16.333 -32.748 -17.781 1.00 87.68 C +HETATM 199 O HYP A 30 -15.391 -33.537 -17.678 1.00 88.07 O +HETATM 200 CB HYP A 30 -16.362 -31.623 -20.067 1.00 85.95 C +HETATM 201 CG HYP A 30 -15.351 -30.726 -20.700 1.00 84.34 C +HETATM 202 CD HYP A 30 -14.184 -30.690 -19.683 1.00 87.56 C +HETATM 203 OD1 HYP A 30 -15.862 -29.424 -20.830 1.00 84.44 O +ATOM 204 N GLY A 31 -17.553 -32.968 -17.173 1.00 92.23 N +ATOM 205 CA GLY A 31 -17.849 -34.160 -16.425 1.00 88.59 C +ATOM 206 C GLY A 31 -18.013 -35.390 -17.327 1.00 83.58 C +ATOM 207 O GLY A 31 -18.042 -35.248 -18.550 1.00 79.56 O +ATOM 208 OXT GLY A 31 -18.141 -36.536 -16.803 1.00 82.87 O +TER 209 GLY A 31 +END diff --git a/protein_pdb_312.txt b/protein_pdb_312.txt new file mode 100644 index 0000000000000000000000000000000000000000..0483aa885570bb172f7a58844610023d6c9cb5a8 --- /dev/null +++ b/protein_pdb_312.txt @@ -0,0 +1,181 @@ +ATOM 1 N GLY A 1 -18.037 32.041 -15.177 1.00 93.51 N +ATOM 2 CA GLY A 1 -16.741 31.751 -15.789 1.00 94.83 C +ATOM 3 C GLY A 1 -16.557 30.267 -16.029 1.00 95.32 C +ATOM 4 O GLY A 1 -17.366 29.463 -15.562 1.00 93.43 O +ATOM 5 N PRO A 2 -15.499 29.861 -16.719 1.00 98.14 N +ATOM 6 CA PRO A 2 -15.244 28.447 -16.984 1.00 98.18 C +ATOM 7 C PRO A 2 -14.819 27.716 -15.713 1.00 98.32 C +ATOM 8 O PRO A 2 -14.360 28.331 -14.755 1.00 97.78 O +ATOM 9 CB PRO A 2 -14.127 28.462 -18.019 1.00 97.22 C +ATOM 10 CG PRO A 2 -13.402 29.734 -17.741 1.00 95.14 C +ATOM 11 CD PRO A 2 -14.478 30.708 -17.314 1.00 96.93 C +HETATM 12 N HYP A 3 -15.009 26.455 -15.696 1.00 97.78 N +HETATM 13 CA HYP A 3 -14.559 25.601 -14.610 1.00 97.35 C +HETATM 14 C HYP A 3 -13.034 25.696 -14.364 1.00 97.79 C +HETATM 15 O HYP A 3 -12.263 25.888 -15.322 1.00 97.52 O +HETATM 16 CB HYP A 3 -14.942 24.184 -15.046 1.00 96.39 C +HETATM 17 CG HYP A 3 -15.995 24.349 -16.101 1.00 95.27 C +HETATM 18 CD HYP A 3 -15.606 25.665 -16.769 1.00 96.81 C +HETATM 19 OD1 HYP A 3 -17.296 24.441 -15.586 1.00 96.01 O +ATOM 20 N GLY A 4 -12.657 25.586 -13.080 1.00 98.03 N +ATOM 21 CA GLY A 4 -11.252 25.623 -12.740 1.00 97.77 C +ATOM 22 C GLY A 4 -10.552 24.342 -13.158 1.00 97.82 C +ATOM 23 O GLY A 4 -11.201 23.372 -13.564 1.00 97.80 O +ATOM 24 N PRO A 5 -9.211 24.310 -13.040 1.00 98.30 N +ATOM 25 CA PRO A 5 -8.458 23.118 -13.413 1.00 98.29 C +ATOM 26 C PRO A 5 -8.716 21.983 -12.421 1.00 98.32 C +ATOM 27 O PRO A 5 -9.100 22.220 -11.276 1.00 98.06 O +ATOM 28 CB PRO A 5 -7.002 23.578 -13.380 1.00 97.61 C +ATOM 29 CG PRO A 5 -7.011 24.682 -12.374 1.00 96.21 C +ATOM 30 CD PRO A 5 -8.343 25.376 -12.563 1.00 97.71 C +HETATM 31 N HYP A 6 -8.530 20.781 -12.849 1.00 98.18 N +HETATM 32 CA HYP A 6 -8.604 19.612 -11.960 1.00 97.98 C +HETATM 33 C HYP A 6 -7.654 19.671 -10.806 1.00 97.76 C +HETATM 34 O HYP A 6 -6.554 20.188 -10.975 1.00 97.65 O +HETATM 35 CB HYP A 6 -8.323 18.386 -12.882 1.00 96.97 C +HETATM 36 CG HYP A 6 -8.662 18.857 -14.283 1.00 96.16 C +HETATM 37 CD HYP A 6 -8.315 20.368 -14.220 1.00 97.48 C +HETATM 38 OD1 HYP A 6 -10.021 18.675 -14.571 1.00 95.52 O +ATOM 39 N GLY A 7 -8.038 19.135 -9.631 1.00 97.73 N +ATOM 40 CA GLY A 7 -7.192 19.123 -8.456 1.00 97.49 C +ATOM 41 C GLY A 7 -6.004 18.192 -8.635 1.00 97.64 C +ATOM 42 O GLY A 7 -5.934 17.429 -9.606 1.00 97.60 O +ATOM 43 N PRO A 8 -5.051 18.225 -7.672 1.00 97.95 N +ATOM 44 CA PRO A 8 -3.882 17.357 -7.762 1.00 97.70 C +ATOM 45 C PRO A 8 -4.246 15.892 -7.563 1.00 97.81 C +ATOM 46 O PRO A 8 -5.279 15.564 -6.969 1.00 96.97 O +ATOM 47 CB PRO A 8 -2.969 17.862 -6.639 1.00 97.16 C +ATOM 48 CG PRO A 8 -3.931 18.423 -5.641 1.00 96.10 C +ATOM 49 CD PRO A 8 -5.037 19.043 -6.471 1.00 97.59 C +ATOM 50 N LYS A 9 -3.386 14.992 -8.057 1.00 97.48 N +ATOM 51 CA LYS A 9 -3.592 13.557 -7.896 1.00 97.21 C +ATOM 52 C LYS A 9 -3.483 13.195 -6.412 1.00 97.28 C +ATOM 53 O LYS A 9 -2.681 13.765 -5.684 1.00 96.39 O +ATOM 54 CB LYS A 9 -2.552 12.785 -8.718 1.00 96.18 C +ATOM 55 CG LYS A 9 -2.741 11.274 -8.706 1.00 89.76 C +ATOM 56 CD LYS A 9 -1.703 10.590 -9.581 1.00 86.79 C +ATOM 57 CE LYS A 9 -1.808 9.068 -9.527 1.00 80.89 C +ATOM 58 NZ LYS A 9 -3.051 8.574 -10.141 1.00 75.88 N +ATOM 59 N GLY A 10 -4.306 12.258 -5.969 1.00 97.54 N +ATOM 60 CA GLY A 10 -4.286 11.835 -4.581 1.00 97.12 C +ATOM 61 C GLY A 10 -2.968 11.196 -4.182 1.00 97.18 C +ATOM 62 O GLY A 10 -2.208 10.721 -5.034 1.00 96.65 O +ATOM 63 N GLN A 11 -2.696 11.181 -2.870 1.00 96.93 N +ATOM 64 CA GLN A 11 -1.472 10.578 -2.353 1.00 96.41 C +ATOM 65 C GLN A 11 -1.495 9.064 -2.556 1.00 96.58 C +ATOM 66 O GLN A 11 -2.547 8.433 -2.549 1.00 95.09 O +ATOM 67 CB GLN A 11 -1.311 10.868 -0.860 1.00 95.09 C +ATOM 68 CG GLN A 11 -1.018 12.328 -0.540 1.00 89.82 C +ATOM 69 CD GLN A 11 -0.820 12.527 0.945 1.00 84.46 C +ATOM 70 OE1 GLN A 11 -1.704 12.250 1.741 1.00 78.19 O +ATOM 71 NE2 GLN A 11 0.349 13.008 1.339 1.00 75.93 N +ATOM 72 N LYS A 12 -0.296 8.475 -2.718 1.00 95.78 N +ATOM 73 CA LYS A 12 -0.179 7.027 -2.840 1.00 96.66 C +ATOM 74 C LYS A 12 -0.504 6.396 -1.481 1.00 96.78 C +ATOM 75 O LYS A 12 -0.140 6.942 -0.437 1.00 95.10 O +ATOM 76 CB LYS A 12 1.239 6.652 -3.288 1.00 95.32 C +ATOM 77 CG LYS A 12 1.426 5.162 -3.515 1.00 91.84 C +ATOM 78 CD LYS A 12 2.806 4.849 -4.061 1.00 88.19 C +ATOM 79 CE LYS A 12 2.975 3.354 -4.284 1.00 82.17 C +ATOM 80 NZ LYS A 12 4.302 3.042 -4.854 1.00 77.53 N +ATOM 81 N GLY A 13 -1.188 5.265 -1.500 1.00 97.08 N +ATOM 82 CA GLY A 13 -1.546 4.584 -0.259 1.00 96.73 C +ATOM 83 C GLY A 13 -0.325 4.084 0.497 1.00 97.07 C +ATOM 84 O GLY A 13 0.761 3.925 -0.070 1.00 96.56 O +ATOM 85 N GLU A 14 -0.516 3.814 1.807 1.00 97.00 N +ATOM 86 CA GLU A 14 0.562 3.299 2.646 1.00 97.13 C +ATOM 87 C GLU A 14 0.996 1.918 2.165 1.00 97.48 C +ATOM 88 O GLU A 14 0.191 1.137 1.655 1.00 96.34 O +ATOM 89 CB GLU A 14 0.112 3.196 4.108 1.00 95.38 C +ATOM 90 CG GLU A 14 -0.157 4.539 4.770 1.00 88.65 C +ATOM 91 CD GLU A 14 -0.563 4.355 6.226 1.00 83.68 C +ATOM 92 OE1 GLU A 14 -1.550 3.643 6.480 1.00 78.41 O +ATOM 93 OE2 GLU A 14 0.107 4.910 7.110 1.00 77.94 O +ATOM 94 N LYS A 15 2.297 1.609 2.350 1.00 96.54 N +ATOM 95 CA LYS A 15 2.801 0.286 2.001 1.00 96.97 C +ATOM 96 C LYS A 15 2.241 -0.717 2.992 1.00 97.45 C +ATOM 97 O LYS A 15 2.126 -0.436 4.182 1.00 96.80 O +ATOM 98 CB LYS A 15 4.331 0.284 2.028 1.00 95.40 C +ATOM 99 CG LYS A 15 4.936 -1.049 1.588 1.00 91.60 C +ATOM 100 CD LYS A 15 6.441 -0.983 1.497 1.00 88.38 C +ATOM 101 CE LYS A 15 7.023 -2.306 1.038 1.00 83.47 C +ATOM 102 NZ LYS A 15 8.495 -2.247 0.883 1.00 79.23 N +ATOM 103 N GLY A 16 1.882 -1.904 2.508 1.00 97.45 N +ATOM 104 CA GLY A 16 1.333 -2.942 3.370 1.00 97.34 C +ATOM 105 C GLY A 16 2.355 -3.464 4.363 1.00 97.64 C +ATOM 106 O GLY A 16 3.561 -3.262 4.192 1.00 97.50 O +ATOM 107 N PRO A 17 1.894 -4.168 5.431 1.00 96.84 N +ATOM 108 CA PRO A 17 2.809 -4.721 6.431 1.00 97.05 C +ATOM 109 C PRO A 17 3.613 -5.880 5.855 1.00 97.40 C +ATOM 110 O PRO A 17 3.229 -6.469 4.852 1.00 96.97 O +ATOM 111 CB PRO A 17 1.876 -5.178 7.552 1.00 95.89 C +ATOM 112 CG PRO A 17 0.606 -5.504 6.857 1.00 94.61 C +ATOM 113 CD PRO A 17 0.495 -4.474 5.759 1.00 95.90 C +HETATM 114 N HYP A 18 4.714 -6.236 6.517 1.00 96.46 N +HETATM 115 CA HYP A 18 5.539 -7.360 6.135 1.00 96.08 C +HETATM 116 C HYP A 18 4.741 -8.662 6.119 1.00 97.08 C +HETATM 117 O HYP A 18 3.795 -8.810 6.924 1.00 96.29 O +HETATM 118 CB HYP A 18 6.630 -7.370 7.178 1.00 95.39 C +HETATM 119 CG HYP A 18 6.701 -5.973 7.723 1.00 93.65 C +HETATM 120 CD HYP A 18 5.283 -5.504 7.619 1.00 95.38 C +HETATM 121 OD1 HYP A 18 7.530 -5.151 6.951 1.00 93.25 O +ATOM 122 N GLY A 19 5.059 -9.556 5.243 1.00 97.30 N +ATOM 123 CA GLY A 19 4.408 -10.844 5.193 1.00 97.06 C +ATOM 124 C GLY A 19 4.773 -11.691 6.401 1.00 97.20 C +ATOM 125 O GLY A 19 5.654 -11.331 7.184 1.00 97.20 O +ATOM 126 N PRO A 20 4.094 -12.847 6.571 1.00 96.92 N +ATOM 127 CA PRO A 20 4.370 -13.718 7.708 1.00 96.77 C +ATOM 128 C PRO A 20 5.744 -14.372 7.589 1.00 96.92 C +ATOM 129 O PRO A 20 6.293 -14.478 6.503 1.00 96.45 O +ATOM 130 CB PRO A 20 3.243 -14.753 7.635 1.00 95.49 C +ATOM 131 CG PRO A 20 2.896 -14.798 6.188 1.00 94.06 C +ATOM 132 CD PRO A 20 3.052 -13.378 5.707 1.00 96.07 C +HETATM 133 N HYP A 21 6.276 -14.846 8.695 1.00 96.36 N +HETATM 134 CA HYP A 21 7.558 -15.546 8.720 1.00 95.86 C +HETATM 135 C HYP A 21 7.543 -16.832 7.867 1.00 96.68 C +HETATM 136 O HYP A 21 6.489 -17.483 7.771 1.00 96.24 O +HETATM 137 CB HYP A 21 7.743 -15.926 10.212 1.00 93.87 C +HETATM 138 CG HYP A 21 6.896 -14.955 11.001 1.00 92.35 C +HETATM 139 CD HYP A 21 5.740 -14.659 10.050 1.00 94.85 C +HETATM 140 OD1 HYP A 21 7.579 -13.742 11.267 1.00 92.36 O +ATOM 141 N GLY A 22 8.638 -17.149 7.257 1.00 96.54 N +ATOM 142 CA GLY A 22 8.742 -18.354 6.476 1.00 96.28 C +ATOM 143 C GLY A 22 8.725 -19.580 7.376 1.00 96.52 C +ATOM 144 O GLY A 22 8.807 -19.461 8.600 1.00 96.15 O +ATOM 145 N PRO A 23 8.637 -20.783 6.783 1.00 96.40 N +ATOM 146 CA PRO A 23 8.599 -22.011 7.570 1.00 96.18 C +ATOM 147 C PRO A 23 9.946 -22.280 8.230 1.00 96.51 C +ATOM 148 O PRO A 23 10.981 -21.792 7.776 1.00 95.77 O +ATOM 149 CB PRO A 23 8.246 -23.075 6.538 1.00 94.39 C +ATOM 150 CG PRO A 23 8.774 -22.524 5.257 1.00 92.53 C +ATOM 151 CD PRO A 23 8.550 -21.031 5.351 1.00 95.18 C +HETATM 152 N HYP A 24 9.959 -23.101 9.289 1.00 94.95 N +HETATM 153 CA HYP A 24 11.192 -23.460 9.959 1.00 93.89 C +HETATM 154 C HYP A 24 12.151 -24.253 9.054 1.00 95.09 C +HETATM 155 O HYP A 24 11.693 -24.968 8.177 1.00 94.93 O +HETATM 156 CB HYP A 24 10.712 -24.422 11.117 1.00 93.39 C +HETATM 157 CG HYP A 24 9.266 -24.066 11.379 1.00 90.90 C +HETATM 158 CD HYP A 24 8.764 -23.613 9.995 1.00 93.66 C +HETATM 159 OD1 HYP A 24 9.138 -22.994 12.296 1.00 90.32 O +ATOM 160 N GLY A 25 13.447 -24.064 9.229 1.00 94.64 N +ATOM 161 CA GLY A 25 14.428 -24.779 8.455 1.00 94.09 C +ATOM 162 C GLY A 25 14.424 -26.262 8.810 1.00 94.43 C +ATOM 163 O GLY A 25 13.795 -26.665 9.792 1.00 93.36 O +ATOM 164 N PRO A 26 15.156 -27.100 8.052 1.00 94.31 N +ATOM 165 CA PRO A 26 15.195 -28.532 8.327 1.00 94.16 C +ATOM 166 C PRO A 26 15.939 -28.814 9.620 1.00 94.13 C +ATOM 167 O PRO A 26 16.829 -28.059 10.013 1.00 90.75 O +ATOM 168 CB PRO A 26 15.919 -29.113 7.109 1.00 91.52 C +ATOM 169 CG PRO A 26 16.765 -27.990 6.629 1.00 89.48 C +ATOM 170 CD PRO A 26 15.955 -26.748 6.880 1.00 92.13 C +HETATM 171 N HYP A 27 15.643 -29.893 10.285 1.00 93.27 N +HETATM 172 CA HYP A 27 16.343 -30.192 11.568 1.00 89.30 C +HETATM 173 C HYP A 27 17.815 -30.557 11.242 1.00 89.28 C +HETATM 174 O HYP A 27 18.622 -29.870 11.765 1.00 89.69 O +HETATM 175 CB HYP A 27 15.629 -31.503 12.066 1.00 87.97 C +HETATM 176 CG HYP A 27 14.348 -31.686 11.278 1.00 87.04 C +HETATM 177 CD HYP A 27 14.576 -30.894 9.973 1.00 90.73 C +HETATM 178 OD1 HYP A 27 13.285 -31.094 11.984 1.00 84.99 O +HETATM 179 OXT HYP A 27 18.062 -31.531 10.451 1.00 85.93 O +TER 180 HYP A 27 +END diff --git a/protein_pdb_313.txt b/protein_pdb_313.txt new file mode 100644 index 0000000000000000000000000000000000000000..af17583c4b9fd050c803c07eeb3d695a3f5d60a0 --- /dev/null +++ b/protein_pdb_313.txt @@ -0,0 +1,146 @@ +ATOM 1 N GLY A 1 -16.045 -14.880 30.661 1.00 85.24 N +ATOM 2 CA GLY A 1 -15.855 -13.438 30.732 1.00 87.32 C +ATOM 3 C GLY A 1 -16.242 -12.749 29.439 1.00 88.40 C +ATOM 4 O GLY A 1 -16.648 -13.411 28.477 1.00 85.98 O +ATOM 5 N PRO A 2 -16.098 -11.430 29.362 1.00 81.43 N +ATOM 6 CA PRO A 2 -16.449 -10.694 28.143 1.00 86.68 C +ATOM 7 C PRO A 2 -15.472 -10.996 27.014 1.00 87.32 C +ATOM 8 O PRO A 2 -14.342 -11.431 27.246 1.00 82.14 O +ATOM 9 CB PRO A 2 -16.365 -9.231 28.575 1.00 81.01 C +ATOM 10 CG PRO A 2 -15.367 -9.247 29.681 1.00 77.09 C +ATOM 11 CD PRO A 2 -15.615 -10.540 30.412 1.00 76.91 C +HETATM 12 N HYP A 3 -15.930 -10.812 25.859 1.00 90.59 N +HETATM 13 CA HYP A 3 -15.072 -10.916 24.656 1.00 88.26 C +HETATM 14 C HYP A 3 -13.902 -10.011 24.701 1.00 90.26 C +HETATM 15 O HYP A 3 -13.988 -8.904 25.216 1.00 88.76 O +HETATM 16 CB HYP A 3 -16.035 -10.598 23.510 1.00 86.18 C +HETATM 17 CG HYP A 3 -17.426 -10.869 24.069 1.00 85.96 C +HETATM 18 CD HYP A 3 -17.300 -10.457 25.537 1.00 88.44 C +HETATM 19 OD1 HYP A 3 -17.744 -12.215 23.977 1.00 87.01 O +ATOM 20 N GLY A 4 -12.746 -10.429 24.119 1.00 91.85 N +ATOM 21 CA GLY A 4 -11.554 -9.610 24.077 1.00 90.20 C +ATOM 22 C GLY A 4 -11.770 -8.364 23.233 1.00 89.82 C +ATOM 23 O GLY A 4 -12.690 -8.296 22.408 1.00 88.42 O +ATOM 24 N ALA A 5 -10.910 -7.391 23.442 1.00 91.52 N +ATOM 25 CA ALA A 5 -10.986 -6.149 22.683 1.00 91.47 C +ATOM 26 C ALA A 5 -10.678 -6.401 21.210 1.00 91.21 C +ATOM 27 O ALA A 5 -9.934 -7.322 20.861 1.00 88.09 O +ATOM 28 CB ALA A 5 -10.006 -5.129 23.247 1.00 87.49 C +ATOM 29 N ALA A 6 -11.245 -5.556 20.330 1.00 90.91 N +ATOM 30 CA ALA A 6 -10.967 -5.663 18.909 1.00 90.82 C +ATOM 31 C ALA A 6 -9.490 -5.394 18.668 1.00 91.67 C +ATOM 32 O ALA A 6 -8.869 -4.582 19.362 1.00 87.67 O +ATOM 33 CB ALA A 6 -11.819 -4.670 18.125 1.00 86.27 C +ATOM 34 N GLY A 7 -8.929 -6.077 17.704 1.00 93.78 N +ATOM 35 CA GLY A 7 -7.526 -5.890 17.384 1.00 93.39 C +ATOM 36 C GLY A 7 -7.262 -4.549 16.724 1.00 93.62 C +ATOM 37 O GLY A 7 -8.190 -3.825 16.369 1.00 93.72 O +ATOM 38 N PRO A 8 -5.988 -4.219 16.525 1.00 95.45 N +ATOM 39 CA PRO A 8 -5.643 -2.944 15.900 1.00 95.51 C +ATOM 40 C PRO A 8 -5.980 -2.953 14.411 1.00 96.05 C +ATOM 41 O PRO A 8 -6.140 -4.004 13.798 1.00 94.62 O +ATOM 42 CB PRO A 8 -4.132 -2.836 16.122 1.00 93.61 C +ATOM 43 CG PRO A 8 -3.685 -4.256 16.156 1.00 92.49 C +ATOM 44 CD PRO A 8 -4.795 -4.992 16.879 1.00 94.23 C +ATOM 45 N ALA A 9 -6.084 -1.760 13.842 1.00 95.57 N +ATOM 46 CA ALA A 9 -6.326 -1.639 12.413 1.00 95.83 C +ATOM 47 C ALA A 9 -5.153 -2.252 11.663 1.00 96.39 C +ATOM 48 O ALA A 9 -4.011 -2.217 12.136 1.00 94.39 O +ATOM 49 CB ALA A 9 -6.495 -0.176 12.025 1.00 93.40 C +ATOM 50 N GLY A 10 -5.433 -2.812 10.498 1.00 97.45 N +ATOM 51 CA GLY A 10 -4.388 -3.415 9.693 1.00 97.05 C +ATOM 52 C GLY A 10 -3.439 -2.382 9.101 1.00 97.34 C +ATOM 53 O GLY A 10 -3.666 -1.178 9.221 1.00 97.11 O +ATOM 54 N PRO A 11 -2.371 -2.853 8.455 1.00 97.22 N +ATOM 55 CA PRO A 11 -1.391 -1.943 7.869 1.00 97.05 C +ATOM 56 C PRO A 11 -1.953 -1.225 6.648 1.00 97.20 C +ATOM 57 O PRO A 11 -2.931 -1.659 6.051 1.00 96.44 O +ATOM 58 CB PRO A 11 -0.238 -2.870 7.484 1.00 95.77 C +ATOM 59 CG PRO A 11 -0.906 -4.177 7.224 1.00 94.68 C +ATOM 60 CD PRO A 11 -2.007 -4.261 8.250 1.00 96.42 C +HETATM 61 N HYP A 12 -1.319 -0.138 6.267 1.00 97.65 N +HETATM 62 CA HYP A 12 -1.661 0.583 5.066 1.00 97.18 C +HETATM 63 C HYP A 12 -1.527 -0.253 3.846 1.00 97.65 C +HETATM 64 O HYP A 12 -0.669 -1.160 3.803 1.00 96.66 O +HETATM 65 CB HYP A 12 -0.577 1.716 5.068 1.00 96.08 C +HETATM 66 CG HYP A 12 -0.233 1.877 6.523 1.00 95.64 C +HETATM 67 CD HYP A 12 -0.280 0.497 7.050 1.00 96.38 C +HETATM 68 OD1 HYP A 12 -1.179 2.671 7.213 1.00 94.18 O +ATOM 69 N GLY A 13 -2.368 -0.021 2.855 1.00 97.74 N +ATOM 70 CA GLY A 13 -2.296 -0.766 1.619 1.00 97.57 C +ATOM 71 C GLY A 13 -1.038 -0.417 0.838 1.00 97.84 C +ATOM 72 O GLY A 13 -0.262 0.457 1.233 1.00 97.60 O +ATOM 73 N PRO A 14 -0.833 -1.108 -0.298 1.00 97.24 N +ATOM 74 CA PRO A 14 0.355 -0.859 -1.115 1.00 97.18 C +ATOM 75 C PRO A 14 0.286 0.499 -1.797 1.00 97.30 C +ATOM 76 O PRO A 14 -0.785 1.074 -1.970 1.00 96.64 O +ATOM 77 CB PRO A 14 0.318 -2.002 -2.133 1.00 96.05 C +ATOM 78 CG PRO A 14 -1.121 -2.328 -2.249 1.00 94.95 C +ATOM 79 CD PRO A 14 -1.682 -2.161 -0.863 1.00 96.75 C +HETATM 80 N HYP A 15 1.429 0.982 -2.198 1.00 97.35 N +HETATM 81 CA HYP A 15 1.502 2.227 -2.959 1.00 96.48 C +HETATM 82 C HYP A 15 0.767 2.124 -4.282 1.00 97.27 C +HETATM 83 O HYP A 15 0.720 1.050 -4.893 1.00 96.53 O +HETATM 84 CB HYP A 15 3.031 2.342 -3.233 1.00 95.44 C +HETATM 85 CG HYP A 15 3.676 1.609 -2.090 1.00 95.08 C +HETATM 86 CD HYP A 15 2.754 0.456 -1.861 1.00 95.88 C +HETATM 87 OD1 HYP A 15 3.726 2.402 -0.922 1.00 93.32 O +ATOM 88 N GLY A 16 0.146 3.242 -4.685 1.00 96.81 N +ATOM 89 CA GLY A 16 -0.537 3.274 -5.949 1.00 96.67 C +ATOM 90 C GLY A 16 0.455 3.248 -7.099 1.00 96.93 C +ATOM 91 O GLY A 16 1.675 3.321 -6.889 1.00 96.72 O +ATOM 92 N PRO A 17 -0.053 3.147 -8.340 1.00 96.40 N +ATOM 93 CA PRO A 17 0.828 3.096 -9.502 1.00 96.16 C +ATOM 94 C PRO A 17 1.514 4.436 -9.743 1.00 96.23 C +ATOM 95 O PRO A 17 1.022 5.480 -9.338 1.00 95.11 O +ATOM 96 CB PRO A 17 -0.117 2.732 -10.647 1.00 94.75 C +ATOM 97 CG PRO A 17 -1.426 3.270 -10.191 1.00 93.61 C +ATOM 98 CD PRO A 17 -1.459 3.044 -8.703 1.00 95.77 C +HETATM 99 N HYP A 18 2.635 4.383 -10.397 1.00 96.76 N +HETATM 100 CA HYP A 18 3.343 5.601 -10.790 1.00 95.67 C +HETATM 101 C HYP A 18 2.515 6.452 -11.721 1.00 96.66 C +HETATM 102 O HYP A 18 1.698 5.940 -12.470 1.00 95.44 O +HETATM 103 CB HYP A 18 4.540 5.034 -11.583 1.00 94.64 C +HETATM 104 CG HYP A 18 4.778 3.656 -11.019 1.00 93.12 C +HETATM 105 CD HYP A 18 3.373 3.165 -10.735 1.00 95.35 C +HETATM 106 OD1 HYP A 18 5.498 3.706 -9.799 1.00 91.63 O +ATOM 107 N GLY A 19 2.676 7.767 -11.621 1.00 95.24 N +ATOM 108 CA GLY A 19 1.971 8.673 -12.496 1.00 95.08 C +ATOM 109 C GLY A 19 2.482 8.533 -13.918 1.00 95.71 C +ATOM 110 O GLY A 19 3.479 7.849 -14.175 1.00 95.59 O +ATOM 111 N PRO A 20 1.811 9.182 -14.884 1.00 95.20 N +ATOM 112 CA PRO A 20 2.231 9.088 -16.273 1.00 94.95 C +ATOM 113 C PRO A 20 3.565 9.789 -16.499 1.00 95.10 C +ATOM 114 O PRO A 20 3.936 10.693 -15.762 1.00 93.69 O +ATOM 115 CB PRO A 20 1.098 9.772 -17.036 1.00 92.81 C +ATOM 116 CG PRO A 20 0.513 10.704 -16.034 1.00 91.53 C +ATOM 117 CD PRO A 20 0.616 10.001 -14.709 1.00 94.09 C +HETATM 118 N HYP A 21 4.295 9.368 -17.544 1.00 94.26 N +HETATM 119 CA HYP A 21 5.545 9.995 -17.893 1.00 93.75 C +HETATM 120 C HYP A 21 5.360 11.418 -18.273 1.00 93.57 C +HETATM 121 O HYP A 21 4.321 11.794 -18.824 1.00 91.71 O +HETATM 122 CB HYP A 21 5.990 9.174 -19.139 1.00 92.17 C +HETATM 123 CG HYP A 21 5.332 7.843 -19.002 1.00 89.58 C +HETATM 124 CD HYP A 21 4.016 8.181 -18.370 1.00 92.19 C +HETATM 125 OD1 HYP A 21 6.074 7.007 -18.123 1.00 89.40 O +ATOM 126 N GLY A 22 6.319 12.296 -17.932 1.00 93.24 N +ATOM 127 CA GLY A 22 6.258 13.689 -18.298 1.00 92.59 C +ATOM 128 C GLY A 22 6.416 13.856 -19.797 1.00 92.41 C +ATOM 129 O GLY A 22 6.797 12.919 -20.506 1.00 91.51 O +ATOM 130 N PRO A 23 6.146 15.066 -20.326 1.00 92.16 N +ATOM 131 CA PRO A 23 6.287 15.289 -21.760 1.00 91.99 C +ATOM 132 C PRO A 23 7.761 15.295 -22.160 1.00 91.70 C +ATOM 133 O PRO A 23 8.643 15.527 -21.335 1.00 87.74 O +ATOM 134 CB PRO A 23 5.642 16.657 -21.972 1.00 88.59 C +ATOM 135 CG PRO A 23 5.872 17.342 -20.671 1.00 85.62 C +ATOM 136 CD PRO A 23 5.717 16.261 -19.627 1.00 87.49 C +ATOM 137 N PRO A 24 8.044 15.033 -23.458 1.00 91.77 N +ATOM 138 CA PRO A 24 9.438 15.056 -23.903 1.00 90.64 C +ATOM 139 C PRO A 24 9.948 16.506 -23.963 1.00 87.87 C +ATOM 140 O PRO A 24 9.156 17.445 -23.903 1.00 83.15 O +ATOM 141 CB PRO A 24 9.380 14.403 -25.286 1.00 84.35 C +ATOM 142 CG PRO A 24 8.006 14.696 -25.755 1.00 83.39 C +ATOM 143 CD PRO A 24 7.143 14.608 -24.527 1.00 84.92 C +ATOM 144 OXT PRO A 24 11.178 16.714 -24.042 1.00 75.45 O +TER 145 PRO A 24 +END diff --git a/protein_pdb_314.txt b/protein_pdb_314.txt new file mode 100644 index 0000000000000000000000000000000000000000..66e6c238276c089f5335766e3c36cf165450bf85 --- /dev/null +++ b/protein_pdb_314.txt @@ -0,0 +1,137 @@ +ATOM 1 N GLY A 1 11.113 -25.064 9.786 1.00 95.23 N +ATOM 2 CA GLY A 1 10.212 -25.961 9.426 1.00 95.53 C +ATOM 3 C GLY A 1 9.205 -25.574 8.454 1.00 96.13 C +ATOM 4 O GLY A 1 9.441 -25.484 7.263 1.00 95.18 O +ATOM 5 N PRO A 2 8.047 -25.574 8.989 1.00 97.34 N +ATOM 6 CA PRO A 2 6.982 -25.149 8.073 1.00 97.35 C +ATOM 7 C PRO A 2 7.204 -23.701 7.589 1.00 97.42 C +ATOM 8 O PRO A 2 7.864 -22.917 8.260 1.00 96.72 O +ATOM 9 CB PRO A 2 5.702 -25.266 8.905 1.00 96.54 C +ATOM 10 CG PRO A 2 6.159 -25.103 10.309 1.00 94.40 C +ATOM 11 CD PRO A 2 7.580 -25.598 10.356 1.00 96.14 C +HETATM 12 N HYP A 3 6.702 -23.408 6.467 1.00 96.97 N +HETATM 13 CA HYP A 3 6.754 -21.983 5.909 1.00 97.09 C +HETATM 14 C HYP A 3 6.129 -20.961 6.847 1.00 97.88 C +HETATM 15 O HYP A 3 5.150 -21.261 7.552 1.00 97.40 O +HETATM 16 CB HYP A 3 6.002 -22.118 4.629 1.00 96.96 C +HETATM 17 CG HYP A 3 6.075 -23.579 4.225 1.00 96.34 C +HETATM 18 CD HYP A 3 6.040 -24.336 5.561 1.00 96.92 C +HETATM 19 OD1 HYP A 3 7.281 -23.870 3.536 1.00 95.92 O +ATOM 20 N GLY A 4 6.661 -19.702 6.841 1.00 96.94 N +ATOM 21 CA GLY A 4 6.122 -18.636 7.662 1.00 96.78 C +ATOM 22 C GLY A 4 4.756 -18.174 7.168 1.00 96.93 C +ATOM 23 O GLY A 4 4.310 -18.572 6.086 1.00 96.32 O +ATOM 24 N PRO A 5 4.092 -17.318 7.946 1.00 97.50 N +ATOM 25 CA PRO A 5 2.781 -16.801 7.553 1.00 97.36 C +ATOM 26 C PRO A 5 2.908 -15.809 6.402 1.00 97.44 C +ATOM 27 O PRO A 5 3.984 -15.270 6.149 1.00 96.51 O +ATOM 28 CB PRO A 5 2.266 -16.132 8.817 1.00 96.25 C +ATOM 29 CG PRO A 5 3.520 -15.662 9.491 1.00 93.96 C +ATOM 30 CD PRO A 5 4.543 -16.742 9.199 1.00 96.27 C +HETATM 31 N HYP A 6 1.834 -15.557 5.702 1.00 97.05 N +HETATM 32 CA HYP A 6 1.771 -14.504 4.666 1.00 96.77 C +HETATM 33 C HYP A 6 2.148 -13.141 5.166 1.00 97.56 C +HETATM 34 O HYP A 6 1.769 -12.797 6.290 1.00 96.67 O +HETATM 35 CB HYP A 6 0.345 -14.577 4.139 1.00 96.32 C +HETATM 36 CG HYP A 6 -0.150 -15.959 4.474 1.00 95.96 C +HETATM 37 CD HYP A 6 0.556 -16.266 5.780 1.00 96.67 C +HETATM 38 OD1 HYP A 6 0.226 -16.899 3.476 1.00 94.96 O +ATOM 39 N GLY A 7 2.827 -12.349 4.355 1.00 96.74 N +ATOM 40 CA GLY A 7 3.213 -11.009 4.740 1.00 96.27 C +ATOM 41 C GLY A 7 1.991 -10.125 4.952 1.00 96.60 C +ATOM 42 O GLY A 7 0.872 -10.479 4.565 1.00 95.97 O +ATOM 43 N PRO A 8 2.202 -8.936 5.550 1.00 97.55 N +ATOM 44 CA PRO A 8 1.083 -8.021 5.769 1.00 97.33 C +ATOM 45 C PRO A 8 0.563 -7.462 4.450 1.00 97.40 C +ATOM 46 O PRO A 8 1.258 -7.449 3.434 1.00 96.11 O +ATOM 47 CB PRO A 8 1.687 -6.922 6.650 1.00 96.32 C +ATOM 48 CG PRO A 8 3.133 -6.929 6.266 1.00 94.87 C +ATOM 49 CD PRO A 8 3.464 -8.381 6.002 1.00 96.48 C +ATOM 50 N LYS A 9 -0.684 -6.978 4.468 1.00 95.35 N +ATOM 51 CA LYS A 9 -1.290 -6.371 3.283 1.00 95.23 C +ATOM 52 C LYS A 9 -0.487 -5.130 2.887 1.00 95.65 C +ATOM 53 O LYS A 9 -0.004 -4.396 3.742 1.00 93.44 O +ATOM 54 CB LYS A 9 -2.754 -6.011 3.573 1.00 92.79 C +ATOM 55 CG LYS A 9 -3.496 -5.470 2.367 1.00 88.07 C +ATOM 56 CD LYS A 9 -4.964 -5.237 2.665 1.00 85.40 C +ATOM 57 CE LYS A 9 -5.702 -4.724 1.429 1.00 80.39 C +ATOM 58 NZ LYS A 9 -7.141 -4.534 1.707 1.00 75.13 N +ATOM 59 N GLY A 10 -0.357 -4.919 1.583 1.00 97.10 N +ATOM 60 CA GLY A 10 0.363 -3.755 1.093 1.00 96.87 C +ATOM 61 C GLY A 10 -0.315 -2.464 1.484 1.00 97.10 C +ATOM 62 O GLY A 10 -1.499 -2.425 1.821 1.00 96.29 O +ATOM 63 N THR A 11 0.452 -1.385 1.443 1.00 97.77 N +ATOM 64 CA THR A 11 -0.066 -0.063 1.781 1.00 97.50 C +ATOM 65 C THR A 11 -0.972 0.443 0.665 1.00 97.89 C +ATOM 66 O THR A 11 -0.875 0.006 -0.477 1.00 97.19 O +ATOM 67 CB THR A 11 1.076 0.928 2.002 1.00 96.65 C +ATOM 68 OG1 THR A 11 1.861 1.020 0.820 1.00 94.02 O +ATOM 69 CG2 THR A 11 1.963 0.479 3.152 1.00 92.93 C +HETATM 70 N HYP A 12 -1.870 1.409 0.972 1.00 97.45 N +HETATM 71 CA HYP A 12 -2.716 2.072 -0.048 1.00 96.89 C +HETATM 72 C HYP A 12 -1.886 2.805 -1.078 1.00 97.91 C +HETATM 73 O HYP A 12 -0.774 3.274 -0.739 1.00 97.13 O +HETATM 74 CB HYP A 12 -3.602 2.992 0.783 1.00 97.41 C +HETATM 75 CG HYP A 12 -3.623 2.368 2.153 1.00 96.47 C +HETATM 76 CD HYP A 12 -2.261 1.804 2.298 1.00 96.91 C +HETATM 77 OD1 HYP A 12 -4.583 1.331 2.256 1.00 96.27 O +ATOM 78 N GLY A 13 -2.380 2.950 -2.262 1.00 97.13 N +ATOM 79 CA GLY A 13 -1.696 3.717 -3.272 1.00 96.95 C +ATOM 80 C GLY A 13 -1.646 5.192 -2.890 1.00 97.41 C +ATOM 81 O GLY A 13 -2.284 5.620 -1.935 1.00 97.11 O +ATOM 82 N PRO A 14 -0.884 5.989 -3.656 1.00 97.52 N +ATOM 83 CA PRO A 14 -0.793 7.410 -3.366 1.00 97.48 C +ATOM 84 C PRO A 14 -2.108 8.117 -3.666 1.00 97.63 C +ATOM 85 O PRO A 14 -2.902 7.650 -4.474 1.00 97.06 O +ATOM 86 CB PRO A 14 0.329 7.899 -4.290 1.00 96.74 C +ATOM 87 CG PRO A 14 0.262 6.949 -5.433 1.00 95.35 C +ATOM 88 CD PRO A 14 -0.104 5.614 -4.829 1.00 96.92 C +HETATM 89 N HYP A 15 -2.355 9.270 -3.024 1.00 97.67 N +HETATM 90 CA HYP A 15 -3.510 10.100 -3.310 1.00 97.06 C +HETATM 91 C HYP A 15 -3.557 10.581 -4.775 1.00 97.67 C +HETATM 92 O HYP A 15 -2.469 10.722 -5.379 1.00 97.51 O +HETATM 93 CB HYP A 15 -3.347 11.264 -2.330 1.00 96.97 C +HETATM 94 CG HYP A 15 -2.470 10.740 -1.204 1.00 96.72 C +HETATM 95 CD HYP A 15 -1.583 9.764 -1.910 1.00 97.10 C +HETATM 96 OD1 HYP A 15 -3.234 10.046 -0.238 1.00 96.49 O +ATOM 97 N GLY A 16 -4.710 10.776 -5.299 1.00 96.72 N +ATOM 98 CA GLY A 16 -4.817 11.306 -6.635 1.00 96.15 C +ATOM 99 C GLY A 16 -4.277 12.730 -6.689 1.00 96.41 C +ATOM 100 O GLY A 16 -4.063 13.364 -5.650 1.00 95.84 O +ATOM 101 N PRO A 17 -4.059 13.252 -7.899 1.00 96.71 N +ATOM 102 CA PRO A 17 -3.557 14.614 -8.032 1.00 96.35 C +ATOM 103 C PRO A 17 -4.617 15.628 -7.618 1.00 96.21 C +ATOM 104 O PRO A 17 -5.808 15.325 -7.625 1.00 94.67 O +ATOM 105 CB PRO A 17 -3.216 14.724 -9.514 1.00 94.89 C +ATOM 106 CG PRO A 17 -4.157 13.768 -10.159 1.00 92.56 C +ATOM 107 CD PRO A 17 -4.280 12.618 -9.185 1.00 94.95 C +HETATM 108 N HYP A 18 -4.214 16.884 -7.286 1.00 96.65 N +HETATM 109 CA HYP A 18 -5.126 17.936 -6.966 1.00 95.78 C +HETATM 110 C HYP A 18 -6.093 18.289 -8.110 1.00 97.47 C +HETATM 111 O HYP A 18 -5.700 18.109 -9.288 1.00 96.83 O +HETATM 112 CB HYP A 18 -4.209 19.175 -6.684 1.00 95.84 C +HETATM 113 CG HYP A 18 -2.895 18.566 -6.259 1.00 95.28 C +HETATM 114 CD HYP A 18 -2.845 17.272 -7.035 1.00 95.86 C +HETATM 115 OD1 HYP A 18 -2.920 18.259 -4.879 1.00 94.04 O +ATOM 116 N GLY A 19 -7.300 18.612 -7.831 1.00 94.91 N +ATOM 117 CA GLY A 19 -8.260 18.963 -8.849 1.00 94.35 C +ATOM 118 C GLY A 19 -7.825 20.224 -9.582 1.00 94.72 C +ATOM 119 O GLY A 19 -6.820 20.842 -9.224 1.00 93.50 O +ATOM 120 N PRO A 20 -8.602 20.667 -10.603 1.00 95.50 N +ATOM 121 CA PRO A 20 -8.260 21.882 -11.334 1.00 95.39 C +ATOM 122 C PRO A 20 -8.380 23.094 -10.428 1.00 95.11 C +ATOM 123 O PRO A 20 -9.174 23.087 -9.483 1.00 92.41 O +ATOM 124 CB PRO A 20 -9.286 21.908 -12.467 1.00 93.41 C +ATOM 125 CG PRO A 20 -10.443 21.152 -11.920 1.00 90.37 C +ATOM 126 CD PRO A 20 -9.833 20.059 -11.076 1.00 94.13 C +HETATM 127 N HYP A 21 -7.726 24.322 -10.771 1.00 95.86 N +HETATM 128 CA HYP A 21 -7.889 25.185 -9.952 1.00 94.42 C +HETATM 129 C HYP A 21 -9.378 26.306 -11.007 1.00 96.28 C +HETATM 130 O HYP A 21 -10.307 25.631 -10.995 1.00 94.87 O +HETATM 131 CB HYP A 21 -7.049 26.679 -10.490 1.00 94.93 C +HETATM 132 CG HYP A 21 -5.937 26.067 -10.978 1.00 94.05 C +HETATM 133 CD HYP A 21 -6.503 24.702 -11.506 1.00 95.48 C +HETATM 134 OD1 HYP A 21 -5.113 25.830 -9.891 1.00 90.33 O +HETATM 135 OXT HYP A 21 -9.408 27.404 -11.725 1.00 91.87 O +TER 136 HYP A 21 +END diff --git a/protein_pdb_315.txt b/protein_pdb_315.txt new file mode 100644 index 0000000000000000000000000000000000000000..2f2555dd5cf422f02515fcb609460dee8fffeb7d --- /dev/null +++ b/protein_pdb_315.txt @@ -0,0 +1,210 @@ +ATOM 1 N GLY A 1 -19.531 12.942 40.974 1.00 82.04 N +ATOM 2 CA GLY A 1 -18.452 13.720 40.373 1.00 84.80 C +ATOM 3 C GLY A 1 -18.759 14.095 38.944 1.00 85.83 C +ATOM 4 O GLY A 1 -19.748 13.622 38.380 1.00 81.65 O +ATOM 5 N PRO A 2 -17.919 14.929 38.304 1.00 80.82 N +ATOM 6 CA PRO A 2 -18.147 15.341 36.924 1.00 85.06 C +ATOM 7 C PRO A 2 -17.873 14.206 35.946 1.00 85.22 C +ATOM 8 O PRO A 2 -17.213 13.228 36.284 1.00 83.18 O +ATOM 9 CB PRO A 2 -17.162 16.497 36.727 1.00 80.29 C +ATOM 10 CG PRO A 2 -16.045 16.149 37.650 1.00 74.25 C +ATOM 11 CD PRO A 2 -16.706 15.526 38.856 1.00 77.17 C +HETATM 12 N HYP A 3 -18.382 14.346 34.817 1.00 86.58 N +HETATM 13 CA HYP A 3 -18.116 13.399 33.702 1.00 86.06 C +HETATM 14 C HYP A 3 -16.597 13.320 33.383 1.00 81.68 C +HETATM 15 O HYP A 3 -15.885 14.325 33.544 1.00 86.28 O +HETATM 16 CB HYP A 3 -18.893 13.921 32.515 1.00 82.78 C +HETATM 17 CG HYP A 3 -19.998 14.783 33.137 1.00 74.78 C +HETATM 18 CD HYP A 3 -19.289 15.370 34.395 1.00 81.12 C +HETATM 19 OD1 HYP A 3 -21.076 13.986 33.552 1.00 85.03 O +ATOM 20 N GLY A 4 -16.164 12.137 32.985 1.00 90.20 N +ATOM 21 CA GLY A 4 -14.768 11.964 32.654 1.00 88.05 C +ATOM 22 C GLY A 4 -14.418 12.682 31.363 1.00 89.01 C +ATOM 23 O GLY A 4 -15.298 13.143 30.630 1.00 87.92 O +ATOM 24 N PRO A 5 -13.112 12.789 31.051 1.00 84.20 N +ATOM 25 CA PRO A 5 -12.679 13.454 29.825 1.00 85.37 C +ATOM 26 C PRO A 5 -13.051 12.651 28.592 1.00 85.31 C +ATOM 27 O PRO A 5 -13.297 11.452 28.680 1.00 84.90 O +ATOM 28 CB PRO A 5 -11.164 13.561 29.996 1.00 81.90 C +ATOM 29 CG PRO A 5 -10.836 12.388 30.855 1.00 77.85 C +ATOM 30 CD PRO A 5 -11.997 12.256 31.814 1.00 81.20 C +HETATM 31 N HYP A 6 -13.102 13.331 27.478 1.00 77.65 N +HETATM 32 CA HYP A 6 -13.318 12.607 26.199 1.00 86.77 C +HETATM 33 C HYP A 6 -12.264 11.554 25.942 1.00 78.65 C +HETATM 34 O HYP A 6 -11.127 11.739 26.341 1.00 85.98 O +HETATM 35 CB HYP A 6 -13.301 13.731 25.128 1.00 76.06 C +HETATM 36 CG HYP A 6 -13.729 14.994 25.896 1.00 75.95 C +HETATM 37 CD HYP A 6 -13.058 14.764 27.264 1.00 78.82 C +HETATM 38 OD1 HYP A 6 -15.139 15.035 26.065 1.00 85.18 O +ATOM 39 N GLY A 7 -12.663 10.441 25.318 1.00 89.00 N +ATOM 40 CA GLY A 7 -11.751 9.364 25.022 1.00 85.86 C +ATOM 41 C GLY A 7 -10.725 9.764 23.982 1.00 86.70 C +ATOM 42 O GLY A 7 -10.831 10.824 23.353 1.00 86.30 O +ATOM 43 N PRO A 8 -9.715 8.916 23.774 1.00 80.83 N +ATOM 44 CA PRO A 8 -8.680 9.217 22.789 1.00 82.47 C +ATOM 45 C PRO A 8 -9.217 9.140 21.368 1.00 82.83 C +ATOM 46 O PRO A 8 -10.268 8.554 21.124 1.00 82.24 O +ATOM 47 CB PRO A 8 -7.621 8.135 23.048 1.00 79.80 C +ATOM 48 CG PRO A 8 -8.417 7.004 23.592 1.00 77.35 C +ATOM 49 CD PRO A 8 -9.502 7.637 24.427 1.00 79.37 C +HETATM 50 N HYP A 9 -8.530 9.738 20.458 1.00 79.07 N +HETATM 51 CA HYP A 9 -8.871 9.633 19.031 1.00 86.46 C +HETATM 52 C HYP A 9 -8.938 8.212 18.590 1.00 79.25 C +HETATM 53 O HYP A 9 -8.222 7.386 19.111 1.00 82.95 O +HETATM 54 CB HYP A 9 -7.734 10.407 18.339 1.00 75.19 C +HETATM 55 CG HYP A 9 -7.181 11.355 19.370 1.00 70.96 C +HETATM 56 CD HYP A 9 -7.362 10.564 20.651 1.00 77.75 C +HETATM 57 OD1 HYP A 9 -7.972 12.556 19.460 1.00 76.26 O +ATOM 58 N GLY A 10 -9.799 7.895 17.613 1.00 89.23 N +ATOM 59 CA GLY A 10 -9.907 6.567 17.077 1.00 87.19 C +ATOM 60 C GLY A 10 -8.631 6.159 16.358 1.00 88.63 C +ATOM 61 O GLY A 10 -7.753 6.988 16.102 1.00 88.80 O +ATOM 62 N PRO A 11 -8.517 4.885 16.010 1.00 84.51 N +ATOM 63 CA PRO A 11 -7.314 4.412 15.327 1.00 85.17 C +ATOM 64 C PRO A 11 -7.228 4.967 13.913 1.00 85.61 C +ATOM 65 O PRO A 11 -8.236 5.296 13.296 1.00 84.91 O +ATOM 66 CB PRO A 11 -7.474 2.895 15.324 1.00 82.28 C +ATOM 67 CG PRO A 11 -8.948 2.694 15.379 1.00 80.62 C +ATOM 68 CD PRO A 11 -9.479 3.813 16.238 1.00 83.05 C +HETATM 69 N HYP A 12 -6.061 5.061 13.389 1.00 80.55 N +HETATM 70 CA HYP A 12 -5.824 5.465 12.012 1.00 81.07 C +HETATM 71 C HYP A 12 -6.496 4.508 11.104 1.00 79.35 C +HETATM 72 O HYP A 12 -6.598 3.324 11.414 1.00 78.15 O +HETATM 73 CB HYP A 12 -4.299 5.472 11.847 1.00 75.07 C +HETATM 74 CG HYP A 12 -3.724 5.658 13.201 1.00 72.22 C +HETATM 75 CD HYP A 12 -4.741 4.925 14.054 1.00 77.27 C +HETATM 76 OD1 HYP A 12 -3.691 7.039 13.570 1.00 79.28 O +ATOM 77 N GLY A 13 -6.872 4.952 9.913 1.00 86.65 N +ATOM 78 CA GLY A 13 -7.415 4.074 8.913 1.00 83.83 C +ATOM 79 C GLY A 13 -6.380 3.032 8.497 1.00 83.50 C +ATOM 80 O GLY A 13 -5.174 3.269 8.583 1.00 82.30 O +ATOM 81 N ALA A 14 -6.864 1.875 8.046 1.00 80.65 N +ATOM 82 CA ALA A 14 -5.964 0.808 7.625 1.00 81.01 C +ATOM 83 C ALA A 14 -5.164 1.240 6.406 1.00 80.78 C +ATOM 84 O ALA A 14 -5.682 1.878 5.492 1.00 76.39 O +ATOM 85 CB ALA A 14 -6.758 -0.450 7.301 1.00 77.41 C +ATOM 86 N LYS A 15 -3.853 0.871 6.368 1.00 81.42 N +ATOM 87 CA LYS A 15 -3.000 1.178 5.223 1.00 83.02 C +ATOM 88 C LYS A 15 -3.374 0.270 4.059 1.00 81.67 C +ATOM 89 O LYS A 15 -3.571 -0.929 4.238 1.00 77.84 O +ATOM 90 CB LYS A 15 -1.516 0.999 5.591 1.00 76.66 C +ATOM 91 CG LYS A 15 -0.561 1.316 4.459 1.00 70.58 C +ATOM 92 CD LYS A 15 0.894 1.168 4.893 1.00 68.46 C +ATOM 93 CE LYS A 15 1.850 1.322 3.720 1.00 64.23 C +ATOM 94 NZ LYS A 15 1.737 2.635 3.079 1.00 60.19 N +ATOM 95 N ALA A 16 -3.491 0.859 2.865 1.00 81.39 N +ATOM 96 CA ALA A 16 -3.828 0.075 1.686 1.00 81.62 C +ATOM 97 C ALA A 16 -2.719 -0.941 1.393 1.00 81.40 C +ATOM 98 O ALA A 16 -1.540 -0.679 1.631 1.00 77.00 O +ATOM 99 CB ALA A 16 -4.035 0.986 0.481 1.00 77.84 C +ATOM 100 N ASP A 17 -3.106 -2.093 0.884 1.00 84.68 N +ATOM 101 CA ASP A 17 -2.133 -3.109 0.507 1.00 86.61 C +ATOM 102 C ASP A 17 -1.254 -2.587 -0.623 1.00 86.71 C +ATOM 103 O ASP A 17 -1.686 -1.783 -1.450 1.00 83.42 O +ATOM 104 CB ASP A 17 -2.840 -4.389 0.045 1.00 82.15 C +ATOM 105 CG ASP A 17 -3.550 -5.118 1.170 1.00 75.41 C +ATOM 106 OD1 ASP A 17 -3.142 -4.975 2.335 1.00 73.06 O +ATOM 107 OD2 ASP A 17 -4.517 -5.845 0.865 1.00 69.52 O +ATOM 108 N ALA A 18 -0.010 -3.066 -0.669 1.00 77.76 N +ATOM 109 CA ALA A 18 0.883 -2.704 -1.755 1.00 79.84 C +ATOM 110 C ALA A 18 0.307 -3.197 -3.076 1.00 80.38 C +ATOM 111 O ALA A 18 -0.305 -4.270 -3.136 1.00 73.46 O +ATOM 112 CB ALA A 18 2.272 -3.301 -1.526 1.00 75.63 C +ATOM 113 N GLY A 19 0.486 -2.409 -4.118 1.00 82.58 N +ATOM 114 CA GLY A 19 -0.013 -2.799 -5.424 1.00 80.36 C +ATOM 115 C GLY A 19 0.740 -3.994 -5.986 1.00 81.44 C +ATOM 116 O GLY A 19 1.769 -4.399 -5.447 1.00 82.02 O +ATOM 117 N PRO A 20 0.242 -4.587 -7.090 1.00 80.32 N +ATOM 118 CA PRO A 20 0.899 -5.741 -7.693 1.00 82.18 C +ATOM 119 C PRO A 20 2.212 -5.344 -8.350 1.00 82.31 C +ATOM 120 O PRO A 20 2.453 -4.176 -8.628 1.00 80.18 O +ATOM 121 CB PRO A 20 -0.116 -6.229 -8.731 1.00 78.34 C +ATOM 122 CG PRO A 20 -0.846 -4.991 -9.112 1.00 74.33 C +ATOM 123 CD PRO A 20 -0.957 -4.196 -7.836 1.00 77.00 C +HETATM 124 N HYP A 21 3.093 -6.310 -8.614 1.00 78.79 N +HETATM 125 CA HYP A 21 4.292 -6.109 -9.332 1.00 74.95 C +HETATM 126 C HYP A 21 4.058 -5.469 -10.694 1.00 82.47 C +HETATM 127 O HYP A 21 3.017 -5.728 -11.293 1.00 84.41 O +HETATM 128 CB HYP A 21 4.938 -7.471 -9.466 1.00 76.72 C +HETATM 129 CG HYP A 21 4.398 -8.204 -8.257 1.00 70.33 C +HETATM 130 CD HYP A 21 3.014 -7.664 -8.150 1.00 78.19 C +HETATM 131 OD1 HYP A 21 5.129 -7.877 -7.107 1.00 80.04 O +ATOM 132 N GLY A 22 4.951 -4.628 -11.137 1.00 84.12 N +ATOM 133 CA GLY A 22 4.821 -4.009 -12.427 1.00 80.87 C +ATOM 134 C GLY A 22 4.976 -5.032 -13.541 1.00 81.90 C +ATOM 135 O GLY A 22 5.373 -6.174 -13.302 1.00 83.66 O +ATOM 136 N PRO A 23 4.662 -4.627 -14.775 1.00 78.24 N +ATOM 137 CA PRO A 23 4.772 -5.543 -15.902 1.00 78.57 C +ATOM 138 C PRO A 23 6.228 -5.842 -16.230 1.00 78.24 C +ATOM 139 O PRO A 23 7.124 -5.097 -15.843 1.00 78.96 O +ATOM 140 CB PRO A 23 4.089 -4.794 -17.036 1.00 76.71 C +ATOM 141 CG PRO A 23 4.286 -3.359 -16.679 1.00 74.63 C +ATOM 142 CD PRO A 23 4.183 -3.312 -15.179 1.00 75.34 C +HETATM 143 N HYP A 24 6.490 -6.919 -16.947 1.00 81.76 N +HETATM 144 CA HYP A 24 7.806 -7.258 -17.418 1.00 83.99 C +HETATM 145 C HYP A 24 8.384 -6.159 -18.308 1.00 84.15 C +HETATM 146 O HYP A 24 7.634 -5.491 -19.018 1.00 86.95 O +HETATM 147 CB HYP A 24 7.613 -8.566 -18.201 1.00 74.63 C +HETATM 148 CG HYP A 24 6.374 -9.196 -17.579 1.00 71.64 C +HETATM 149 CD HYP A 24 5.551 -7.988 -17.248 1.00 80.85 C +HETATM 150 OD1 HYP A 24 6.676 -9.875 -16.385 1.00 81.73 O +ATOM 151 N GLY A 25 9.693 -5.945 -18.236 1.00 82.71 N +ATOM 152 CA GLY A 25 10.340 -4.952 -19.054 1.00 79.97 C +ATOM 153 C GLY A 25 10.285 -5.336 -20.521 1.00 80.82 C +ATOM 154 O GLY A 25 9.913 -6.464 -20.867 1.00 80.79 O +ATOM 155 N PRO A 26 10.661 -4.413 -21.398 1.00 76.40 N +ATOM 156 CA PRO A 26 10.631 -4.685 -22.830 1.00 76.68 C +ATOM 157 C PRO A 26 11.712 -5.685 -23.222 1.00 77.43 C +ATOM 158 O PRO A 26 12.695 -5.864 -22.506 1.00 78.40 O +ATOM 159 CB PRO A 26 10.883 -3.321 -23.462 1.00 74.42 C +ATOM 160 CG PRO A 26 11.682 -2.601 -22.426 1.00 72.32 C +ATOM 161 CD PRO A 26 11.125 -3.067 -21.104 1.00 72.76 C +HETATM 162 N HYP A 27 11.553 -6.331 -24.340 1.00 81.17 N +HETATM 163 CA HYP A 27 12.560 -7.235 -24.895 1.00 82.58 C +HETATM 164 C HYP A 27 13.857 -6.501 -25.125 1.00 82.89 C +HETATM 165 O HYP A 27 13.865 -5.331 -25.448 1.00 88.21 O +HETATM 166 CB HYP A 27 11.922 -7.728 -26.201 1.00 81.99 C +HETATM 167 CG HYP A 27 10.406 -7.595 -25.993 1.00 76.76 C +HETATM 168 CD HYP A 27 10.320 -6.355 -25.125 1.00 84.94 C +HETATM 169 OD1 HYP A 27 9.899 -8.704 -25.263 1.00 84.13 O +ATOM 170 N GLY A 28 14.988 -7.193 -24.947 1.00 83.33 N +ATOM 171 CA GLY A 28 16.285 -6.626 -25.206 1.00 81.29 C +ATOM 172 C GLY A 28 16.464 -6.356 -26.692 1.00 82.92 C +ATOM 173 O GLY A 28 15.662 -6.803 -27.515 1.00 82.11 O +ATOM 174 N PRO A 29 17.529 -5.647 -27.058 1.00 82.14 N +ATOM 175 CA PRO A 29 17.771 -5.342 -28.468 1.00 82.09 C +ATOM 176 C PRO A 29 18.184 -6.589 -29.238 1.00 82.43 C +ATOM 177 O PRO A 29 18.649 -7.567 -28.655 1.00 80.70 O +ATOM 178 CB PRO A 29 18.896 -4.311 -28.412 1.00 78.23 C +ATOM 179 CG PRO A 29 19.613 -4.639 -27.151 1.00 76.55 C +ATOM 180 CD PRO A 29 18.539 -5.074 -26.181 1.00 78.00 C +HETATM 181 N HYP A 30 18.029 -6.570 -30.557 1.00 87.17 N +HETATM 182 CA HYP A 30 18.467 -7.674 -31.387 1.00 86.16 C +HETATM 183 C HYP A 30 19.964 -7.896 -31.298 1.00 88.49 C +HETATM 184 O HYP A 30 20.702 -6.945 -31.061 1.00 88.49 O +HETATM 185 CB HYP A 30 18.056 -7.234 -32.814 1.00 86.13 C +HETATM 186 CG HYP A 30 16.903 -6.276 -32.613 1.00 82.16 C +HETATM 187 CD HYP A 30 17.264 -5.596 -31.294 1.00 87.85 C +HETATM 188 OD1 HYP A 30 15.668 -6.979 -32.438 1.00 84.64 O +ATOM 189 N GLY A 31 20.400 -9.122 -31.435 1.00 85.63 N +ATOM 190 CA GLY A 31 21.812 -9.421 -31.443 1.00 83.66 C +ATOM 191 C GLY A 31 22.475 -8.831 -32.677 1.00 83.71 C +ATOM 192 O GLY A 31 21.804 -8.315 -33.572 1.00 80.74 O +ATOM 193 N PRO A 32 23.817 -8.916 -32.764 1.00 87.10 N +ATOM 194 CA PRO A 32 24.515 -8.364 -33.918 1.00 86.96 C +ATOM 195 C PRO A 32 24.174 -9.138 -35.184 1.00 86.61 C +ATOM 196 O PRO A 32 23.817 -10.316 -35.126 1.00 82.28 O +ATOM 197 CB PRO A 32 25.990 -8.508 -33.550 1.00 82.61 C +ATOM 198 CG PRO A 32 26.005 -9.645 -32.591 1.00 80.49 C +ATOM 199 CD PRO A 32 24.726 -9.529 -31.815 1.00 82.03 C +HETATM 200 N HYP A 33 24.332 -8.560 -36.342 1.00 83.25 N +HETATM 201 CA HYP A 33 23.939 -9.251 -37.547 1.00 79.32 C +HETATM 202 C HYP A 33 24.356 -10.634 -37.673 1.00 77.48 C +HETATM 203 O HYP A 33 25.479 -10.921 -37.224 1.00 77.67 O +HETATM 204 CB HYP A 33 24.445 -8.334 -38.708 1.00 77.46 C +HETATM 205 CG HYP A 33 24.692 -6.998 -38.086 1.00 74.94 C +HETATM 206 CD HYP A 33 24.977 -7.321 -36.632 1.00 81.12 C +HETATM 207 OD1 HYP A 33 23.518 -6.226 -38.172 1.00 76.13 O +HETATM 208 OXT HYP A 33 23.572 -11.414 -38.258 1.00 71.10 O +TER 209 HYP A 33 +END diff --git a/protein_pdb_316.txt b/protein_pdb_316.txt new file mode 100644 index 0000000000000000000000000000000000000000..e8ad9ea449f46f28d7f60332205eabbbf6b26f2a --- /dev/null +++ b/protein_pdb_316.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 14.606 2.915 1.963 1.00 93.10 N +ATOM 2 CA GLY A 1 13.543 3.646 1.360 1.00 93.83 C +ATOM 3 C GLY A 1 12.312 3.736 2.235 1.00 94.52 C +ATOM 4 O GLY A 1 12.181 3.012 3.212 1.00 92.98 O +ATOM 5 N PRO A 2 11.430 4.603 1.881 1.00 94.02 N +ATOM 6 CA PRO A 2 10.214 4.789 2.643 1.00 94.28 C +ATOM 7 C PRO A 2 9.221 3.668 2.397 1.00 94.34 C +ATOM 8 O PRO A 2 9.376 2.875 1.471 1.00 92.54 O +ATOM 9 CB PRO A 2 9.686 6.121 2.116 1.00 91.99 C +ATOM 10 CG PRO A 2 10.155 6.147 0.705 1.00 88.50 C +ATOM 11 CD PRO A 2 11.505 5.490 0.727 1.00 91.49 C +HETATM 12 N HYP A 3 8.221 3.640 3.253 1.00 92.96 N +HETATM 13 CA HYP A 3 7.173 2.650 3.051 1.00 92.65 C +HETATM 14 C HYP A 3 6.503 2.821 1.702 1.00 94.08 C +HETATM 15 O HYP A 3 6.373 3.952 1.223 1.00 94.46 O +HETATM 16 CB HYP A 3 6.156 3.020 4.185 1.00 91.29 C +HETATM 17 CG HYP A 3 6.994 3.681 5.252 1.00 87.34 C +HETATM 18 CD HYP A 3 8.047 4.476 4.403 1.00 91.91 C +HETATM 19 OD1 HYP A 3 7.649 2.687 5.973 1.00 91.64 O +ATOM 20 N GLY A 4 6.162 1.715 1.096 1.00 95.02 N +ATOM 21 CA GLY A 4 5.461 1.757 -0.158 1.00 94.59 C +ATOM 22 C GLY A 4 4.062 2.320 0.015 1.00 95.01 C +ATOM 23 O GLY A 4 3.569 2.479 1.126 1.00 94.79 O +ATOM 24 N PRO A 5 3.406 2.635 -1.107 1.00 95.72 N +ATOM 25 CA PRO A 5 2.058 3.182 -1.048 1.00 95.38 C +ATOM 26 C PRO A 5 1.055 2.133 -0.604 1.00 95.13 C +ATOM 27 O PRO A 5 1.319 0.938 -0.649 1.00 93.70 O +ATOM 28 CB PRO A 5 1.801 3.626 -2.489 1.00 94.22 C +ATOM 29 CG PRO A 5 2.636 2.701 -3.300 1.00 92.20 C +ATOM 30 CD PRO A 5 3.866 2.454 -2.481 1.00 94.31 C +HETATM 31 N HYP A 6 -0.107 2.627 -0.142 1.00 93.98 N +HETATM 32 CA HYP A 6 -1.171 1.705 0.211 1.00 95.35 C +HETATM 33 C HYP A 6 -1.541 0.848 -0.958 1.00 94.68 C +HETATM 34 O HYP A 6 -1.413 1.279 -2.128 1.00 95.39 O +HETATM 35 CB HYP A 6 -2.320 2.672 0.574 1.00 92.50 C +HETATM 36 CG HYP A 6 -1.649 3.938 1.021 1.00 91.92 C +HETATM 37 CD HYP A 6 -0.453 4.023 0.075 1.00 93.47 C +HETATM 38 OD1 HYP A 6 -1.196 3.789 2.347 1.00 91.99 O +ATOM 39 N GLY A 7 -1.916 -0.366 -0.671 1.00 94.81 N +ATOM 40 CA GLY A 7 -2.378 -1.252 -1.704 1.00 94.56 C +ATOM 41 C GLY A 7 -3.594 -0.688 -2.408 1.00 95.03 C +ATOM 42 O GLY A 7 -4.260 0.214 -1.909 1.00 94.72 O +ATOM 43 N PRO A 8 -3.894 -1.226 -3.573 1.00 94.81 N +ATOM 44 CA PRO A 8 -5.022 -0.721 -4.337 1.00 94.45 C +ATOM 45 C PRO A 8 -6.346 -1.073 -3.681 1.00 94.81 C +ATOM 46 O PRO A 8 -6.446 -2.050 -2.943 1.00 93.17 O +ATOM 47 CB PRO A 8 -4.876 -1.407 -5.691 1.00 93.10 C +ATOM 48 CG PRO A 8 -4.161 -2.669 -5.369 1.00 91.54 C +ATOM 49 CD PRO A 8 -3.223 -2.327 -4.248 1.00 93.72 C +HETATM 50 N HYP A 9 -7.355 -0.261 -3.983 1.00 92.75 N +HETATM 51 CA HYP A 9 -8.637 -0.525 -3.493 1.00 93.57 C +HETATM 52 C HYP A 9 -9.197 -1.813 -4.089 1.00 93.77 C +HETATM 53 O HYP A 9 -9.063 -2.021 -5.307 1.00 94.11 O +HETATM 54 CB HYP A 9 -9.504 0.672 -4.015 1.00 90.37 C +HETATM 55 CG HYP A 9 -8.517 1.769 -4.289 1.00 89.86 C +HETATM 56 CD HYP A 9 -7.290 1.036 -4.727 1.00 92.89 C +HETATM 57 OD1 HYP A 9 -8.243 2.446 -3.092 1.00 90.99 O +ATOM 58 N GLY A 10 -9.699 -2.706 -3.339 1.00 93.51 N +ATOM 59 CA GLY A 10 -10.397 -3.851 -3.867 1.00 92.57 C +ATOM 60 C GLY A 10 -11.809 -3.463 -4.258 1.00 92.21 C +ATOM 61 O GLY A 10 -12.258 -2.340 -4.031 1.00 90.61 O +ATOM 62 N LYS A 11 -12.507 -4.405 -4.850 1.00 92.15 N +ATOM 63 CA LYS A 11 -13.922 -4.166 -5.105 1.00 92.74 C +ATOM 64 C LYS A 11 -14.699 -4.064 -3.802 1.00 92.43 C +ATOM 65 O LYS A 11 -15.730 -3.397 -3.737 1.00 89.79 O +ATOM 66 CB LYS A 11 -14.504 -5.276 -5.977 1.00 90.19 C +ATOM 67 CG LYS A 11 -13.979 -5.248 -7.399 1.00 86.19 C +ATOM 68 CD LYS A 11 -14.668 -6.266 -8.271 1.00 81.29 C +ATOM 69 CE LYS A 11 -14.157 -6.195 -9.695 1.00 76.71 C +ATOM 70 NZ LYS A 11 -14.874 -7.136 -10.579 1.00 70.44 N +ATOM 71 N HIS A 12 -14.178 -4.724 -2.776 1.00 94.54 N +ATOM 72 CA HIS A 12 -14.748 -4.692 -1.430 1.00 95.13 C +ATOM 73 C HIS A 12 -13.610 -4.617 -0.436 1.00 95.36 C +ATOM 74 O HIS A 12 -12.498 -5.064 -0.713 1.00 91.86 O +ATOM 75 CB HIS A 12 -15.582 -5.949 -1.176 1.00 94.01 C +ATOM 76 CG HIS A 12 -16.642 -6.191 -2.207 1.00 90.88 C +ATOM 77 ND1 HIS A 12 -16.535 -7.151 -3.181 1.00 83.70 N +ATOM 78 CD2 HIS A 12 -17.811 -5.568 -2.433 1.00 80.15 C +ATOM 79 CE1 HIS A 12 -17.615 -7.094 -3.953 1.00 82.33 C +ATOM 80 NE2 HIS A 12 -18.403 -6.154 -3.528 1.00 83.48 N +ATOM 81 N GLY A 13 -13.895 -4.065 0.724 1.00 94.41 N +ATOM 82 CA GLY A 13 -12.888 -3.991 1.757 1.00 93.92 C +ATOM 83 C GLY A 13 -11.959 -2.810 1.591 1.00 94.43 C +ATOM 84 O GLY A 13 -11.974 -2.115 0.574 1.00 93.59 O +ATOM 85 N PRO A 14 -11.135 -2.566 2.598 1.00 95.64 N +ATOM 86 CA PRO A 14 -10.250 -1.406 2.612 1.00 95.48 C +ATOM 87 C PRO A 14 -9.031 -1.599 1.720 1.00 95.50 C +ATOM 88 O PRO A 14 -8.710 -2.706 1.309 1.00 94.17 O +ATOM 89 CB PRO A 14 -9.843 -1.293 4.075 1.00 94.27 C +ATOM 90 CG PRO A 14 -9.865 -2.699 4.552 1.00 92.44 C +ATOM 91 CD PRO A 14 -11.015 -3.345 3.829 1.00 93.58 C +HETATM 92 N HYP A 15 -8.379 -0.482 1.460 1.00 93.78 N +HETATM 93 CA HYP A 15 -7.100 -0.510 0.754 1.00 93.97 C +HETATM 94 C HYP A 15 -6.112 -1.355 1.496 1.00 94.98 C +HETATM 95 O HYP A 15 -6.232 -1.490 2.744 1.00 94.88 O +HETATM 96 CB HYP A 15 -6.752 0.985 0.767 1.00 91.95 C +HETATM 97 CG HYP A 15 -8.082 1.711 0.821 1.00 90.79 C +HETATM 98 CD HYP A 15 -8.897 0.838 1.771 1.00 93.19 C +HETATM 99 OD1 HYP A 15 -8.659 1.758 -0.440 1.00 91.81 O +ATOM 100 N GLY A 16 -5.181 -1.922 0.799 1.00 96.01 N +ATOM 101 CA GLY A 16 -4.131 -2.682 1.430 1.00 95.97 C +ATOM 102 C GLY A 16 -3.248 -1.803 2.290 1.00 96.00 C +ATOM 103 O GLY A 16 -3.282 -0.576 2.189 1.00 95.55 O +ATOM 104 N PRO A 17 -2.445 -2.432 3.141 1.00 94.71 N +ATOM 105 CA PRO A 17 -1.535 -1.682 3.995 1.00 94.38 C +ATOM 106 C PRO A 17 -0.391 -1.087 3.194 1.00 94.61 C +ATOM 107 O PRO A 17 -0.140 -1.483 2.062 1.00 93.01 O +ATOM 108 CB PRO A 17 -1.036 -2.732 4.981 1.00 93.11 C +ATOM 109 CG PRO A 17 -1.103 -4.001 4.200 1.00 91.16 C +ATOM 110 CD PRO A 17 -2.318 -3.871 3.328 1.00 92.93 C +HETATM 111 N HYP A 18 0.291 -0.107 3.813 1.00 91.07 N +HETATM 112 CA HYP A 18 1.465 0.415 3.196 1.00 91.55 C +HETATM 113 C HYP A 18 2.465 -0.653 2.888 1.00 91.48 C +HETATM 114 O HYP A 18 2.566 -1.637 3.665 1.00 93.76 O +HETATM 115 CB HYP A 18 1.990 1.415 4.226 1.00 88.48 C +HETATM 116 CG HYP A 18 0.767 1.832 5.026 1.00 88.23 C +HETATM 117 CD HYP A 18 -0.042 0.544 5.062 1.00 91.60 C +HETATM 118 OD1 HYP A 18 0.026 2.818 4.331 1.00 89.70 O +ATOM 119 N GLY A 19 3.139 -0.548 1.795 1.00 92.92 N +ATOM 120 CA GLY A 19 4.166 -1.494 1.451 1.00 93.05 C +ATOM 121 C GLY A 19 5.319 -1.441 2.430 1.00 93.42 C +ATOM 122 O GLY A 19 5.442 -0.517 3.225 1.00 93.53 O +ATOM 123 N PRO A 20 6.190 -2.439 2.382 1.00 92.10 N +ATOM 124 CA PRO A 20 7.335 -2.478 3.273 1.00 91.89 C +ATOM 125 C PRO A 20 8.352 -1.410 2.910 1.00 92.02 C +ATOM 126 O PRO A 20 8.350 -0.880 1.803 1.00 90.89 O +ATOM 127 CB PRO A 20 7.900 -3.876 3.066 1.00 90.13 C +ATOM 128 CG PRO A 20 7.516 -4.207 1.665 1.00 87.43 C +ATOM 129 CD PRO A 20 6.166 -3.573 1.463 1.00 90.11 C +HETATM 130 N HYP A 21 9.194 -1.099 3.879 1.00 89.65 N +HETATM 131 CA HYP A 21 10.275 -0.183 3.615 1.00 92.18 C +HETATM 132 C HYP A 21 11.156 -0.619 2.465 1.00 90.49 C +HETATM 133 O HYP A 21 11.391 -1.818 2.339 1.00 93.36 O +HETATM 134 CB HYP A 21 11.050 -0.102 4.923 1.00 89.05 C +HETATM 135 CG HYP A 21 10.055 -0.493 5.990 1.00 86.81 C +HETATM 136 CD HYP A 21 9.201 -1.536 5.276 1.00 90.70 C +HETATM 137 OD1 HYP A 21 9.231 0.627 6.298 1.00 87.60 O +ATOM 138 N GLY A 22 11.566 0.295 1.646 1.00 92.22 N +ATOM 139 CA GLY A 22 12.492 -0.003 0.592 1.00 90.75 C +ATOM 140 C GLY A 22 13.876 -0.314 1.152 1.00 90.90 C +ATOM 141 O GLY A 22 14.115 -0.164 2.354 1.00 90.37 O +ATOM 142 N PRO A 23 14.811 -0.731 0.316 1.00 93.34 N +ATOM 143 CA PRO A 23 16.162 -1.032 0.770 1.00 92.85 C +ATOM 144 C PRO A 23 16.909 0.258 1.080 1.00 91.84 C +ATOM 145 O PRO A 23 17.389 0.935 0.174 1.00 88.74 O +ATOM 146 CB PRO A 23 16.768 -1.788 -0.408 1.00 90.71 C +ATOM 147 CG PRO A 23 16.035 -1.267 -1.591 1.00 88.02 C +ATOM 148 CD PRO A 23 14.648 -0.944 -1.114 1.00 91.44 C +HETATM 149 N HYP A 24 16.899 0.730 2.256 1.00 94.05 N +HETATM 150 CA HYP A 24 17.098 2.162 2.655 1.00 90.04 C +HETATM 151 C HYP A 24 16.046 3.076 2.426 1.00 93.28 C +HETATM 152 O HYP A 24 16.352 4.106 1.646 1.00 94.05 O +HETATM 153 CB HYP A 24 17.612 2.100 4.092 1.00 89.21 C +HETATM 154 CG HYP A 24 18.104 0.665 4.313 1.00 87.75 C +HETATM 155 CD HYP A 24 17.543 -0.150 3.132 1.00 92.08 C +HETATM 156 OD1 HYP A 24 19.491 0.619 4.258 1.00 89.57 O +HETATM 157 OXT HYP A 24 15.245 3.577 3.496 1.00 88.96 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_317.txt b/protein_pdb_317.txt new file mode 100644 index 0000000000000000000000000000000000000000..78a54737e3f256657a8d650e0f6aa96209a56a56 --- /dev/null +++ b/protein_pdb_317.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -18.818 7.450 -29.951 1.00 92.04 N +ATOM 2 CA GLY A 1 -17.400 7.178 -30.111 1.00 93.22 C +ATOM 3 C GLY A 1 -16.964 5.961 -29.325 1.00 94.13 C +ATOM 4 O GLY A 1 -17.757 5.414 -28.544 1.00 92.42 O +ATOM 5 N PRO A 2 -15.743 5.509 -29.490 1.00 94.71 N +ATOM 6 CA PRO A 2 -15.251 4.343 -28.756 1.00 95.36 C +ATOM 7 C PRO A 2 -15.067 4.656 -27.277 1.00 95.72 C +ATOM 8 O PRO A 2 -14.933 5.806 -26.883 1.00 94.29 O +ATOM 9 CB PRO A 2 -13.919 4.024 -29.438 1.00 93.47 C +ATOM 10 CG PRO A 2 -13.462 5.336 -29.963 1.00 91.63 C +ATOM 11 CD PRO A 2 -14.717 6.060 -30.379 1.00 93.19 C +HETATM 12 N HYP A 3 -15.090 3.636 -26.476 1.00 96.65 N +HETATM 13 CA HYP A 3 -14.812 3.768 -25.057 1.00 96.16 C +HETATM 14 C HYP A 3 -13.449 4.355 -24.787 1.00 97.29 C +HETATM 15 O HYP A 3 -12.499 4.109 -25.548 1.00 95.73 O +HETATM 16 CB HYP A 3 -14.908 2.343 -24.536 1.00 95.82 C +HETATM 17 CG HYP A 3 -15.744 1.611 -25.536 1.00 94.61 C +HETATM 18 CD HYP A 3 -15.338 2.264 -26.846 1.00 95.88 C +HETATM 19 OD1 HYP A 3 -17.117 1.803 -25.308 1.00 94.59 O +ATOM 20 N GLY A 4 -13.355 5.128 -23.724 1.00 97.42 N +ATOM 21 CA GLY A 4 -12.092 5.706 -23.355 1.00 97.19 C +ATOM 22 C GLY A 4 -11.109 4.643 -22.890 1.00 97.21 C +ATOM 23 O GLY A 4 -11.493 3.490 -22.649 1.00 96.85 O +ATOM 24 N PRO A 5 -9.841 5.018 -22.740 1.00 96.60 N +ATOM 25 CA PRO A 5 -8.828 4.055 -22.296 1.00 96.39 C +ATOM 26 C PRO A 5 -9.007 3.724 -20.820 1.00 96.60 C +ATOM 27 O PRO A 5 -9.618 4.473 -20.069 1.00 96.13 O +ATOM 28 CB PRO A 5 -7.512 4.777 -22.559 1.00 95.05 C +ATOM 29 CG PRO A 5 -7.873 6.207 -22.410 1.00 93.79 C +ATOM 30 CD PRO A 5 -9.269 6.335 -22.978 1.00 95.75 C +HETATM 31 N HYP A 6 -8.473 2.591 -20.421 1.00 97.25 N +HETATM 32 CA HYP A 6 -8.432 2.236 -18.998 1.00 96.48 C +HETATM 33 C HYP A 6 -7.681 3.227 -18.170 1.00 97.68 C +HETATM 34 O HYP A 6 -6.725 3.841 -18.641 1.00 96.37 O +HETATM 35 CB HYP A 6 -7.705 0.866 -18.993 1.00 95.28 C +HETATM 36 CG HYP A 6 -7.966 0.312 -20.367 1.00 93.92 C +HETATM 37 CD HYP A 6 -7.929 1.542 -21.239 1.00 96.12 C +HETATM 38 OD1 HYP A 6 -9.240 -0.291 -20.439 1.00 92.49 O +ATOM 39 N GLY A 7 -8.126 3.416 -16.938 1.00 97.14 N +ATOM 40 CA GLY A 7 -7.457 4.331 -16.039 1.00 96.97 C +ATOM 41 C GLY A 7 -6.066 3.847 -15.680 1.00 97.31 C +ATOM 42 O GLY A 7 -5.689 2.710 -15.982 1.00 97.12 O +ATOM 43 N PRO A 8 -5.295 4.702 -15.011 1.00 96.91 N +ATOM 44 CA PRO A 8 -3.943 4.325 -14.611 1.00 96.89 C +ATOM 45 C PRO A 8 -3.964 3.286 -13.495 1.00 96.81 C +ATOM 46 O PRO A 8 -4.952 3.138 -12.787 1.00 96.14 O +ATOM 47 CB PRO A 8 -3.331 5.641 -14.143 1.00 96.01 C +ATOM 48 CG PRO A 8 -4.509 6.416 -13.655 1.00 95.32 C +ATOM 49 CD PRO A 8 -5.635 6.052 -14.589 1.00 96.60 C +HETATM 50 N HYP A 9 -2.903 2.584 -13.312 1.00 97.38 N +HETATM 51 CA HYP A 9 -2.731 1.648 -12.217 1.00 97.17 C +HETATM 52 C HYP A 9 -2.823 2.302 -10.908 1.00 97.49 C +HETATM 53 O HYP A 9 -2.444 3.455 -10.748 1.00 96.41 O +HETATM 54 CB HYP A 9 -1.292 1.046 -12.444 1.00 95.45 C +HETATM 55 CG HYP A 9 -1.131 1.173 -13.914 1.00 94.67 C +HETATM 56 CD HYP A 9 -1.790 2.479 -14.203 1.00 96.04 C +HETATM 57 OD1 HYP A 9 -1.831 0.129 -14.600 1.00 92.66 O +ATOM 58 N GLY A 10 -3.358 1.595 -9.907 1.00 96.92 N +ATOM 59 CA GLY A 10 -3.454 2.117 -8.566 1.00 96.56 C +ATOM 60 C GLY A 10 -2.090 2.347 -7.951 1.00 96.79 C +ATOM 61 O GLY A 10 -1.063 1.895 -8.470 1.00 96.03 O +ATOM 62 N THR A 11 -2.074 3.047 -6.822 1.00 96.38 N +ATOM 63 CA THR A 11 -0.825 3.303 -6.118 1.00 95.98 C +ATOM 64 C THR A 11 -0.340 2.040 -5.422 1.00 96.27 C +ATOM 65 O THR A 11 -1.117 1.113 -5.159 1.00 95.26 O +ATOM 66 CB THR A 11 -1.002 4.422 -5.087 1.00 94.21 C +ATOM 67 OG1 THR A 11 -1.995 4.037 -4.149 1.00 89.87 O +ATOM 68 CG2 THR A 11 -1.419 5.708 -5.769 1.00 87.69 C +ATOM 69 N ALA A 12 0.948 2.004 -5.110 1.00 96.53 N +ATOM 70 CA ALA A 12 1.505 0.869 -4.400 1.00 96.45 C +ATOM 71 C ALA A 12 0.858 0.747 -3.028 1.00 96.89 C +ATOM 72 O ALA A 12 0.510 1.748 -2.397 1.00 95.39 O +ATOM 73 CB ALA A 12 3.014 1.022 -4.253 1.00 94.60 C +ATOM 74 N GLY A 13 0.685 -0.484 -2.576 1.00 96.86 N +ATOM 75 CA GLY A 13 0.117 -0.714 -1.257 1.00 96.76 C +ATOM 76 C GLY A 13 1.059 -0.271 -0.155 1.00 97.13 C +ATOM 77 O GLY A 13 2.223 0.068 -0.410 1.00 96.84 O +ATOM 78 N PRO A 14 0.578 -0.270 1.088 1.00 96.43 N +ATOM 79 CA PRO A 14 1.412 0.158 2.208 1.00 96.27 C +ATOM 80 C PRO A 14 2.504 -0.863 2.503 1.00 96.60 C +ATOM 81 O PRO A 14 2.413 -2.020 2.133 1.00 95.88 O +ATOM 82 CB PRO A 14 0.417 0.262 3.371 1.00 94.87 C +ATOM 83 CG PRO A 14 -0.632 -0.726 3.021 1.00 93.71 C +ATOM 84 CD PRO A 14 -0.772 -0.652 1.521 1.00 95.41 C +HETATM 85 N HYP A 15 3.547 -0.440 3.186 1.00 97.39 N +HETATM 86 CA HYP A 15 4.603 -1.328 3.650 1.00 96.65 C +HETATM 87 C HYP A 15 4.104 -2.429 4.506 1.00 97.69 C +HETATM 88 O HYP A 15 3.096 -2.257 5.207 1.00 95.94 O +HETATM 89 CB HYP A 15 5.550 -0.392 4.356 1.00 96.19 C +HETATM 90 CG HYP A 15 5.319 0.942 3.698 1.00 95.21 C +HETATM 91 CD HYP A 15 3.852 0.928 3.458 1.00 96.26 C +HETATM 92 OD1 HYP A 15 5.997 1.050 2.467 1.00 94.60 O +ATOM 93 N GLY A 16 4.720 -3.559 4.466 1.00 97.33 N +ATOM 94 CA GLY A 16 4.356 -4.663 5.310 1.00 97.08 C +ATOM 95 C GLY A 16 4.662 -4.363 6.772 1.00 97.40 C +ATOM 96 O GLY A 16 5.270 -3.342 7.100 1.00 97.28 O +ATOM 97 N PRO A 17 4.233 -5.263 7.664 1.00 96.54 N +ATOM 98 CA PRO A 17 4.474 -5.054 9.087 1.00 96.17 C +ATOM 99 C PRO A 17 5.947 -5.223 9.443 1.00 96.22 C +ATOM 100 O PRO A 17 6.706 -5.840 8.713 1.00 95.39 O +ATOM 101 CB PRO A 17 3.612 -6.130 9.750 1.00 94.89 C +ATOM 102 CG PRO A 17 3.561 -7.207 8.725 1.00 94.19 C +ATOM 103 CD PRO A 17 3.511 -6.502 7.400 1.00 95.96 C +HETATM 104 N HYP A 18 6.355 -4.687 10.552 1.00 97.15 N +HETATM 105 CA HYP A 18 7.692 -4.865 11.096 1.00 96.39 C +HETATM 106 C HYP A 18 8.041 -6.294 11.293 1.00 97.18 C +HETATM 107 O HYP A 18 7.168 -7.128 11.634 1.00 95.83 O +HETATM 108 CB HYP A 18 7.656 -4.094 12.393 1.00 95.95 C +HETATM 109 CG HYP A 18 6.546 -3.052 12.221 1.00 94.95 C +HETATM 110 CD HYP A 18 5.565 -3.787 11.359 1.00 96.20 C +HETATM 111 OD1 HYP A 18 7.019 -1.923 11.517 1.00 93.92 O +ATOM 112 N GLY A 19 9.286 -6.654 11.079 1.00 96.32 N +ATOM 113 CA GLY A 19 9.739 -7.997 11.317 1.00 95.95 C +ATOM 114 C GLY A 19 9.699 -8.327 12.798 1.00 96.22 C +ATOM 115 O GLY A 19 9.466 -7.462 13.645 1.00 95.90 O +ATOM 116 N PRO A 20 9.945 -9.594 13.136 1.00 95.42 N +ATOM 117 CA PRO A 20 9.920 -10.000 14.535 1.00 94.96 C +ATOM 118 C PRO A 20 11.115 -9.440 15.296 1.00 94.91 C +ATOM 119 O PRO A 20 12.132 -9.080 14.714 1.00 93.40 O +ATOM 120 CB PRO A 20 9.966 -11.526 14.453 1.00 93.39 C +ATOM 121 CG PRO A 20 10.675 -11.787 13.168 1.00 92.32 C +ATOM 122 CD PRO A 20 10.229 -10.703 12.233 1.00 94.58 C +HETATM 123 N HYP A 21 11.035 -9.373 16.603 1.00 95.65 N +HETATM 124 CA HYP A 21 12.109 -8.940 17.452 1.00 95.06 C +HETATM 125 C HYP A 21 13.333 -9.794 17.337 1.00 96.39 C +HETATM 126 O HYP A 21 13.209 -11.015 17.131 1.00 94.55 O +HETATM 127 CB HYP A 21 11.540 -9.019 18.873 1.00 94.64 C +HETATM 128 CG HYP A 21 10.032 -8.872 18.696 1.00 93.91 C +HETATM 129 CD HYP A 21 9.806 -9.570 17.382 1.00 94.74 C +HETATM 130 OD1 HYP A 21 9.680 -7.494 18.549 1.00 92.49 O +ATOM 131 N GLY A 22 14.508 -9.211 17.429 1.00 93.52 N +ATOM 132 CA GLY A 22 15.732 -9.964 17.404 1.00 92.99 C +ATOM 133 C GLY A 22 15.863 -10.833 18.641 1.00 93.32 C +ATOM 134 O GLY A 22 15.060 -10.740 19.574 1.00 92.25 O +ATOM 135 N PRO A 23 16.904 -11.685 18.701 1.00 92.60 N +ATOM 136 CA PRO A 23 17.083 -12.566 19.852 1.00 92.96 C +ATOM 137 C PRO A 23 17.505 -11.781 21.084 1.00 92.54 C +ATOM 138 O PRO A 23 18.073 -10.695 20.981 1.00 89.24 O +ATOM 139 CB PRO A 23 18.172 -13.529 19.394 1.00 89.97 C +ATOM 140 CG PRO A 23 18.953 -12.735 18.421 1.00 87.47 C +ATOM 141 CD PRO A 23 17.948 -11.873 17.701 1.00 89.87 C +HETATM 142 N HYP A 24 17.280 -12.315 22.253 1.00 91.88 N +HETATM 143 CA HYP A 24 17.748 -11.608 23.463 1.00 89.73 C +HETATM 144 C HYP A 24 19.259 -11.691 23.496 1.00 89.15 C +HETATM 145 O HYP A 24 19.835 -10.645 23.557 1.00 87.80 O +HETATM 146 CB HYP A 24 17.223 -12.479 24.651 1.00 89.84 C +HETATM 147 CG HYP A 24 16.105 -13.302 24.108 1.00 88.66 C +HETATM 148 CD HYP A 24 16.458 -13.466 22.612 1.00 89.75 C +HETATM 149 OD1 HYP A 24 14.895 -12.539 24.180 1.00 85.90 O +HETATM 150 OXT HYP A 24 19.809 -12.822 23.408 1.00 82.10 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_318.txt b/protein_pdb_318.txt new file mode 100644 index 0000000000000000000000000000000000000000..1b46496843a6006d656ebc1b01878431cb78f19e --- /dev/null +++ b/protein_pdb_318.txt @@ -0,0 +1,151 @@ +ATOM 1 N GLY A 1 -2.319 -11.584 -11.511 1.00 68.21 N +ATOM 2 CA GLY A 1 -3.201 -10.440 -11.323 1.00 70.44 C +ATOM 3 C GLY A 1 -2.412 -9.177 -11.097 1.00 72.53 C +ATOM 4 O GLY A 1 -1.184 -9.195 -11.100 1.00 68.54 O +ATOM 5 N PRO A 2 -3.109 -8.085 -10.897 1.00 70.51 N +ATOM 6 CA PRO A 2 -2.441 -6.803 -10.721 1.00 73.35 C +ATOM 7 C PRO A 2 -1.736 -6.698 -9.383 1.00 73.84 C +ATOM 8 O PRO A 2 -2.027 -7.438 -8.451 1.00 70.52 O +ATOM 9 CB PRO A 2 -3.584 -5.793 -10.815 1.00 69.78 C +ATOM 10 CG PRO A 2 -4.772 -6.551 -10.341 1.00 65.83 C +ATOM 11 CD PRO A 2 -4.567 -7.956 -10.815 1.00 65.07 C +HETATM 12 N HYP A 3 -0.841 -5.832 -9.348 1.00 72.45 N +HETATM 13 CA HYP A 3 -0.176 -5.513 -8.062 1.00 75.06 C +HETATM 14 C HYP A 3 -1.163 -5.150 -7.001 1.00 75.79 C +HETATM 15 O HYP A 3 -2.268 -4.641 -7.314 1.00 81.06 O +HETATM 16 CB HYP A 3 0.708 -4.318 -8.472 1.00 76.33 C +HETATM 17 CG HYP A 3 1.002 -4.555 -9.937 1.00 72.43 C +HETATM 18 CD HYP A 3 -0.349 -5.071 -10.477 1.00 74.52 C +HETATM 19 OD1 HYP A 3 1.972 -5.555 -10.066 1.00 76.30 O +ATOM 20 N GLY A 4 -0.843 -5.474 -5.808 1.00 81.01 N +ATOM 21 CA GLY A 4 -1.668 -5.108 -4.695 1.00 80.68 C +ATOM 22 C GLY A 4 -1.670 -3.602 -4.482 1.00 81.23 C +ATOM 23 O GLY A 4 -0.966 -2.859 -5.156 1.00 79.70 O +ATOM 24 N PRO A 5 -2.476 -3.167 -3.542 1.00 80.63 N +ATOM 25 CA PRO A 5 -2.557 -1.738 -3.260 1.00 80.18 C +ATOM 26 C PRO A 5 -1.290 -1.234 -2.589 1.00 80.01 C +ATOM 27 O PRO A 5 -0.498 -2.007 -2.064 1.00 77.54 O +ATOM 28 CB PRO A 5 -3.762 -1.640 -2.333 1.00 77.14 C +ATOM 29 CG PRO A 5 -3.800 -2.955 -1.647 1.00 75.15 C +ATOM 30 CD PRO A 5 -3.344 -3.954 -2.675 1.00 75.70 C +HETATM 31 N HYP A 6 -1.129 0.042 -2.638 1.00 83.38 N +HETATM 32 CA HYP A 6 -0.012 0.670 -1.924 1.00 86.08 C +HETATM 33 C HYP A 6 0.013 0.343 -0.482 1.00 85.65 C +HETATM 34 O HYP A 6 -1.058 0.105 0.146 1.00 83.81 O +HETATM 35 CB HYP A 6 -0.315 2.164 -2.198 1.00 81.60 C +HETATM 36 CG HYP A 6 -1.048 2.160 -3.524 1.00 80.31 C +HETATM 37 CD HYP A 6 -1.945 0.949 -3.397 1.00 82.63 C +HETATM 38 OD1 HYP A 6 -0.147 1.971 -4.593 1.00 82.00 O +ATOM 39 N GLY A 7 1.173 0.216 0.045 1.00 80.14 N +ATOM 40 CA GLY A 7 1.337 -0.044 1.446 1.00 78.17 C +ATOM 41 C GLY A 7 0.842 1.115 2.289 1.00 78.02 C +ATOM 42 O GLY A 7 0.399 2.147 1.772 1.00 75.51 O +ATOM 43 N PRO A 8 0.912 0.943 3.583 1.00 75.92 N +ATOM 44 CA PRO A 8 0.444 2.001 4.471 1.00 74.99 C +ATOM 45 C PRO A 8 1.356 3.213 4.399 1.00 74.30 C +ATOM 46 O PRO A 8 2.523 3.123 4.038 1.00 70.64 O +ATOM 47 CB PRO A 8 0.484 1.349 5.851 1.00 71.64 C +ATOM 48 CG PRO A 8 1.524 0.300 5.723 1.00 72.15 C +ATOM 49 CD PRO A 8 1.428 -0.203 4.314 1.00 71.99 C +HETATM 50 N HYP A 9 0.825 4.361 4.777 1.00 73.15 N +HETATM 51 CA HYP A 9 1.578 5.527 4.798 1.00 72.85 C +HETATM 52 C HYP A 9 2.725 5.480 5.782 1.00 72.79 C +HETATM 53 O HYP A 9 2.603 4.893 6.854 1.00 72.30 O +HETATM 54 CB HYP A 9 0.553 6.588 5.307 1.00 68.07 C +HETATM 55 CG HYP A 9 -0.767 6.034 4.885 1.00 67.87 C +HETATM 56 CD HYP A 9 -0.594 4.586 5.054 1.00 73.20 C +HETATM 57 OD1 HYP A 9 -0.991 6.321 3.519 1.00 70.82 O +ATOM 58 N GLY A 10 3.855 5.995 5.371 1.00 73.23 N +ATOM 59 CA GLY A 10 4.976 6.116 6.262 1.00 69.28 C +ATOM 60 C GLY A 10 4.711 7.194 7.302 1.00 68.79 C +ATOM 61 O GLY A 10 3.712 7.911 7.253 1.00 64.23 O +ATOM 62 N CYS A 11 5.619 7.298 8.230 1.00 60.87 N +ATOM 63 CA CYS A 11 5.481 8.309 9.260 1.00 66.70 C +ATOM 64 C CYS A 11 5.353 9.702 8.653 1.00 66.48 C +ATOM 65 O CYS A 11 4.557 10.525 9.107 1.00 64.02 O +ATOM 66 CB CYS A 11 6.671 8.246 10.210 1.00 62.92 C +ATOM 67 SG CYS A 11 6.486 9.310 11.639 1.00 58.78 S +ATOM 68 N ALA A 12 6.115 9.944 7.589 1.00 63.34 N +ATOM 69 CA ALA A 12 6.079 11.220 6.883 1.00 66.01 C +ATOM 70 C ALA A 12 4.925 11.309 5.893 1.00 67.55 C +ATOM 71 O ALA A 12 4.717 12.370 5.299 1.00 61.97 O +ATOM 72 CB ALA A 12 7.404 11.464 6.174 1.00 61.98 C +ATOM 73 N GLY A 13 4.198 10.239 5.690 1.00 69.55 N +ATOM 74 CA GLY A 13 2.996 10.250 4.881 1.00 68.29 C +ATOM 75 C GLY A 13 3.003 9.484 3.576 1.00 68.60 C +ATOM 76 O GLY A 13 1.915 9.162 3.086 1.00 68.22 O +ATOM 77 N PRO A 14 4.137 9.194 2.964 1.00 70.02 N +ATOM 78 CA PRO A 14 4.073 8.548 1.655 1.00 69.97 C +ATOM 79 C PRO A 14 3.569 7.111 1.762 1.00 69.43 C +ATOM 80 O PRO A 14 3.920 6.381 2.686 1.00 65.96 O +ATOM 81 CB PRO A 14 5.506 8.589 1.143 1.00 67.34 C +ATOM 82 CG PRO A 14 6.328 8.636 2.371 1.00 66.22 C +ATOM 83 CD PRO A 14 5.527 9.458 3.356 1.00 64.45 C +HETATM 84 N HYP A 15 2.791 6.747 0.804 1.00 77.65 N +HETATM 85 CA HYP A 15 2.329 5.367 0.753 1.00 79.26 C +HETATM 86 C HYP A 15 3.469 4.416 0.557 1.00 78.66 C +HETATM 87 O HYP A 15 4.506 4.770 -0.033 1.00 78.77 O +HETATM 88 CB HYP A 15 1.466 5.420 -0.535 1.00 76.00 C +HETATM 89 CG HYP A 15 0.972 6.838 -0.590 1.00 71.84 C +HETATM 90 CD HYP A 15 2.164 7.613 -0.198 1.00 76.88 C +HETATM 91 OD1 HYP A 15 -0.073 7.033 0.316 1.00 76.87 O +ATOM 92 N GLY A 16 3.304 3.256 1.054 1.00 83.12 N +ATOM 93 CA GLY A 16 4.285 2.232 0.816 1.00 81.86 C +ATOM 94 C GLY A 16 4.230 1.745 -0.616 1.00 83.71 C +ATOM 95 O GLY A 16 3.417 2.209 -1.418 1.00 82.79 O +ATOM 96 N PRO A 17 5.105 0.808 -0.953 1.00 80.21 N +ATOM 97 CA PRO A 17 5.125 0.281 -2.307 1.00 79.78 C +ATOM 98 C PRO A 17 3.908 -0.582 -2.591 1.00 81.10 C +ATOM 99 O PRO A 17 3.222 -1.031 -1.683 1.00 78.36 O +ATOM 100 CB PRO A 17 6.414 -0.542 -2.341 1.00 77.00 C +ATOM 101 CG PRO A 17 6.621 -0.945 -0.930 1.00 75.60 C +ATOM 102 CD PRO A 17 6.107 0.186 -0.097 1.00 75.23 C +HETATM 103 N HYP A 18 3.653 -0.803 -3.842 1.00 80.45 N +HETATM 104 CA HYP A 18 2.595 -1.694 -4.229 1.00 84.48 C +HETATM 105 C HYP A 18 2.757 -3.044 -3.662 1.00 82.96 C +HETATM 106 O HYP A 18 3.889 -3.516 -3.456 1.00 83.70 O +HETATM 107 CB HYP A 18 2.723 -1.669 -5.751 1.00 80.44 C +HETATM 108 CG HYP A 18 3.294 -0.308 -6.056 1.00 81.70 C +HETATM 109 CD HYP A 18 4.286 -0.146 -4.953 1.00 83.79 C +HETATM 110 OD1 HYP A 18 2.292 0.691 -5.949 1.00 81.47 O +ATOM 111 N GLY A 19 1.660 -3.655 -3.360 1.00 80.04 N +ATOM 112 CA GLY A 19 1.664 -5.000 -2.853 1.00 79.36 C +ATOM 113 C GLY A 19 2.089 -5.988 -3.917 1.00 80.11 C +ATOM 114 O GLY A 19 2.357 -5.626 -5.063 1.00 78.57 O +ATOM 115 N PRO A 20 2.139 -7.252 -3.540 1.00 75.21 N +ATOM 116 CA PRO A 20 2.538 -8.276 -4.485 1.00 75.08 C +ATOM 117 C PRO A 20 1.471 -8.486 -5.545 1.00 74.91 C +ATOM 118 O PRO A 20 0.326 -8.073 -5.386 1.00 72.10 O +ATOM 119 CB PRO A 20 2.699 -9.517 -3.607 1.00 71.99 C +ATOM 120 CG PRO A 20 1.769 -9.270 -2.475 1.00 68.78 C +ATOM 121 CD PRO A 20 1.806 -7.795 -2.236 1.00 67.78 C +HETATM 122 N HYP A 21 1.852 -9.113 -6.611 1.00 81.35 N +HETATM 123 CA HYP A 21 0.922 -9.461 -7.635 1.00 79.37 C +HETATM 124 C HYP A 21 -0.241 -10.282 -7.139 1.00 79.07 C +HETATM 125 O HYP A 21 -0.070 -11.057 -6.206 1.00 81.67 O +HETATM 126 CB HYP A 21 1.758 -10.236 -8.616 1.00 77.23 C +HETATM 127 CG HYP A 21 3.129 -9.650 -8.431 1.00 75.56 C +HETATM 128 CD HYP A 21 3.218 -9.435 -6.948 1.00 81.48 C +HETATM 129 OD1 HYP A 21 3.241 -8.386 -9.075 1.00 78.18 O +ATOM 130 N GLY A 22 -1.383 -10.000 -7.656 1.00 76.24 N +ATOM 131 CA GLY A 22 -2.568 -10.709 -7.282 1.00 73.79 C +ATOM 132 C GLY A 22 -2.547 -12.143 -7.778 1.00 73.83 C +ATOM 133 O GLY A 22 -1.554 -12.608 -8.339 1.00 71.24 O +ATOM 134 N PRO A 23 -3.647 -12.843 -7.593 1.00 74.62 N +ATOM 135 CA PRO A 23 -3.722 -14.229 -8.037 1.00 76.28 C +ATOM 136 C PRO A 23 -3.579 -14.326 -9.539 1.00 75.54 C +ATOM 137 O PRO A 23 -3.871 -13.389 -10.269 1.00 71.63 O +ATOM 138 CB PRO A 23 -5.119 -14.673 -7.609 1.00 71.52 C +ATOM 139 CG PRO A 23 -5.605 -13.633 -6.681 1.00 68.56 C +ATOM 140 CD PRO A 23 -4.873 -12.376 -6.990 1.00 69.07 C +HETATM 141 N HYP A 24 -3.218 -15.413 -10.033 1.00 77.76 N +HETATM 142 CA HYP A 24 -3.081 -15.552 -11.469 1.00 76.93 C +HETATM 143 C HYP A 24 -4.181 -14.891 -12.212 1.00 74.15 C +HETATM 144 O HYP A 24 -5.216 -15.488 -12.485 1.00 74.73 O +HETATM 145 CB HYP A 24 -2.945 -17.027 -11.651 1.00 74.86 C +HETATM 146 CG HYP A 24 -2.508 -17.562 -10.307 1.00 74.83 C +HETATM 147 CD HYP A 24 -3.139 -16.636 -9.300 1.00 78.51 C +HETATM 148 OD1 HYP A 24 -1.087 -17.443 -10.163 1.00 75.99 O +HETATM 149 OXT HYP A 24 -3.961 -13.671 -12.467 1.00 71.19 O +TER 150 HYP A 24 +END diff --git a/protein_pdb_319.txt b/protein_pdb_319.txt new file mode 100644 index 0000000000000000000000000000000000000000..149955ddc39902c3b64024cbe459c557d4e88e5f --- /dev/null +++ b/protein_pdb_319.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 6.369 -0.149 -4.331 1.00 74.84 N +ATOM 2 CA GLY A 1 5.018 -0.182 -4.875 1.00 78.11 C +ATOM 3 C GLY A 1 4.277 1.091 -4.546 1.00 79.80 C +ATOM 4 O GLY A 1 4.797 1.944 -3.827 1.00 75.77 O +ATOM 5 N PRO A 2 3.079 1.220 -5.062 1.00 76.84 N +ATOM 6 CA PRO A 2 2.288 2.417 -4.790 1.00 79.65 C +ATOM 7 C PRO A 2 1.862 2.467 -3.333 1.00 79.83 C +ATOM 8 O PRO A 2 1.904 1.472 -2.627 1.00 76.49 O +ATOM 9 CB PRO A 2 1.091 2.275 -5.733 1.00 76.01 C +ATOM 10 CG PRO A 2 0.947 0.801 -5.893 1.00 71.50 C +ATOM 11 CD PRO A 2 2.357 0.284 -5.927 1.00 72.24 C +HETATM 12 N HYP A 3 1.480 3.587 -2.879 1.00 80.95 N +HETATM 13 CA HYP A 3 0.988 3.767 -1.551 1.00 82.98 C +HETATM 14 C HYP A 3 -0.185 2.822 -1.254 1.00 82.58 C +HETATM 15 O HYP A 3 -0.945 2.455 -2.186 1.00 81.67 O +HETATM 16 CB HYP A 3 0.545 5.236 -1.599 1.00 81.50 C +HETATM 17 CG HYP A 3 1.401 5.860 -2.675 1.00 77.82 C +HETATM 18 CD HYP A 3 1.450 4.770 -3.703 1.00 80.86 C +HETATM 19 OD1 HYP A 3 2.693 6.114 -2.198 1.00 80.45 O +ATOM 20 N GLY A 4 -0.297 2.431 -0.065 1.00 82.91 N +ATOM 21 CA GLY A 4 -1.362 1.544 0.310 1.00 81.27 C +ATOM 22 C GLY A 4 -2.701 2.248 0.205 1.00 80.30 C +ATOM 23 O GLY A 4 -2.763 3.454 -0.036 1.00 78.35 O +ATOM 24 N PRO A 5 -3.763 1.499 0.392 1.00 81.74 N +ATOM 25 CA PRO A 5 -5.090 2.099 0.313 1.00 80.89 C +ATOM 26 C PRO A 5 -5.346 3.008 1.503 1.00 80.80 C +ATOM 27 O PRO A 5 -4.658 2.940 2.516 1.00 78.15 O +ATOM 28 CB PRO A 5 -6.022 0.893 0.303 1.00 77.23 C +ATOM 29 CG PRO A 5 -5.257 -0.153 1.031 1.00 75.72 C +ATOM 30 CD PRO A 5 -3.830 0.057 0.622 1.00 78.09 C +HETATM 31 N HYP A 6 -6.362 3.836 1.389 1.00 83.66 N +HETATM 32 CA HYP A 6 -6.715 4.695 2.465 1.00 83.75 C +HETATM 33 C HYP A 6 -7.131 3.919 3.707 1.00 82.25 C +HETATM 34 O HYP A 6 -7.720 2.836 3.591 1.00 82.29 O +HETATM 35 CB HYP A 6 -7.895 5.498 1.905 1.00 80.33 C +HETATM 36 CG HYP A 6 -7.577 5.551 0.419 1.00 79.81 C +HETATM 37 CD HYP A 6 -7.045 4.173 0.147 1.00 83.99 C +HETATM 38 OD1 HYP A 6 -6.599 6.494 0.137 1.00 78.72 O +ATOM 39 N GLY A 7 -6.748 4.431 4.848 1.00 80.53 N +ATOM 40 CA GLY A 7 -7.039 3.764 6.087 1.00 78.55 C +ATOM 41 C GLY A 7 -8.490 3.979 6.482 1.00 80.04 C +ATOM 42 O GLY A 7 -9.285 4.521 5.706 1.00 78.85 O +ATOM 43 N PRO A 8 -8.829 3.589 7.690 1.00 79.50 N +ATOM 44 CA PRO A 8 -10.194 3.772 8.176 1.00 80.35 C +ATOM 45 C PRO A 8 -10.541 5.249 8.240 1.00 79.52 C +ATOM 46 O PRO A 8 -9.658 6.101 8.189 1.00 76.34 O +ATOM 47 CB PRO A 8 -10.160 3.158 9.580 1.00 77.32 C +ATOM 48 CG PRO A 8 -8.961 2.290 9.592 1.00 77.46 C +ATOM 49 CD PRO A 8 -7.981 2.947 8.674 1.00 80.63 C +HETATM 50 N HYP A 9 -11.860 5.520 8.362 1.00 74.69 N +HETATM 51 CA HYP A 9 -12.223 6.877 8.581 1.00 79.75 C +HETATM 52 C HYP A 9 -11.499 7.536 9.619 1.00 74.58 C +HETATM 53 O HYP A 9 -11.233 6.926 10.662 1.00 77.19 O +HETATM 54 CB HYP A 9 -13.776 6.751 8.785 1.00 75.77 C +HETATM 55 CG HYP A 9 -14.165 5.533 7.948 1.00 75.19 C +HETATM 56 CD HYP A 9 -12.981 4.623 8.126 1.00 77.56 C +HETATM 57 OD1 HYP A 9 -14.270 5.856 6.596 1.00 74.03 O +ATOM 58 N GLY A 10 -10.959 8.808 9.364 1.00 73.15 N +ATOM 59 CA GLY A 10 -10.217 9.580 10.323 1.00 68.89 C +ATOM 60 C GLY A 10 -8.714 9.390 10.269 1.00 69.14 C +ATOM 61 O GLY A 10 -7.991 10.057 11.002 1.00 66.46 O +ATOM 62 N GLU A 11 -8.216 8.501 9.432 1.00 68.32 N +ATOM 63 CA GLU A 11 -6.788 8.263 9.333 1.00 72.22 C +ATOM 64 C GLU A 11 -6.467 7.614 7.993 1.00 71.98 C +ATOM 65 O GLU A 11 -7.254 6.845 7.456 1.00 67.31 O +ATOM 66 CB GLU A 11 -6.294 7.369 10.479 1.00 66.98 C +ATOM 67 CG GLU A 11 -7.069 6.084 10.628 1.00 63.30 C +ATOM 68 CD GLU A 11 -6.613 5.259 11.828 1.00 58.00 C +ATOM 69 OE1 GLU A 11 -5.451 4.803 11.820 1.00 56.03 O +ATOM 70 OE2 GLU A 11 -7.417 5.077 12.757 1.00 58.52 O +ATOM 71 N ASP A 12 -5.303 7.947 7.451 1.00 78.62 N +ATOM 72 CA ASP A 12 -4.844 7.324 6.220 1.00 79.58 C +ATOM 73 C ASP A 12 -4.148 6.030 6.572 1.00 81.69 C +ATOM 74 O ASP A 12 -3.609 5.878 7.671 1.00 77.06 O +ATOM 75 CB ASP A 12 -3.854 8.225 5.484 1.00 74.38 C +ATOM 76 CG ASP A 12 -4.510 9.433 4.840 1.00 69.89 C +ATOM 77 OD1 ASP A 12 -5.722 9.399 4.573 1.00 68.45 O +ATOM 78 OD2 ASP A 12 -3.782 10.424 4.581 1.00 65.68 O +ATOM 79 N GLY A 13 -4.145 5.116 5.629 1.00 79.17 N +ATOM 80 CA GLY A 13 -3.480 3.853 5.863 1.00 77.11 C +ATOM 81 C GLY A 13 -1.987 4.001 5.702 1.00 79.03 C +ATOM 82 O GLY A 13 -1.494 5.016 5.199 1.00 78.17 O +ATOM 83 N PRO A 14 -1.225 2.997 6.130 1.00 77.60 N +ATOM 84 CA PRO A 14 0.223 3.042 5.967 1.00 77.86 C +ATOM 85 C PRO A 14 0.562 2.829 4.499 1.00 78.01 C +ATOM 86 O PRO A 14 -0.270 2.372 3.722 1.00 74.71 O +ATOM 87 CB PRO A 14 0.710 1.885 6.832 1.00 74.80 C +ATOM 88 CG PRO A 14 -0.413 0.909 6.785 1.00 72.89 C +ATOM 89 CD PRO A 14 -1.651 1.766 6.821 1.00 73.02 C +HETATM 90 N HYP A 15 1.760 3.140 4.142 1.00 78.77 N +HETATM 91 CA HYP A 15 2.211 2.896 2.797 1.00 79.77 C +HETATM 92 C HYP A 15 2.123 1.427 2.444 1.00 81.48 C +HETATM 93 O HYP A 15 2.276 0.594 3.353 1.00 81.12 O +HETATM 94 CB HYP A 15 3.632 3.416 2.849 1.00 80.48 C +HETATM 95 CG HYP A 15 3.580 4.452 3.960 1.00 78.11 C +HETATM 96 CD HYP A 15 2.674 3.827 4.964 1.00 83.10 C +HETATM 97 OD1 HYP A 15 3.039 5.661 3.504 1.00 79.16 O +ATOM 98 N GLY A 16 1.857 1.129 1.237 1.00 77.54 N +ATOM 99 CA GLY A 16 1.750 -0.240 0.826 1.00 74.87 C +ATOM 100 C GLY A 16 3.120 -0.896 0.823 1.00 76.41 C +ATOM 101 O GLY A 16 4.146 -0.229 0.945 1.00 75.59 O +ATOM 102 N PRO A 17 3.139 -2.218 0.680 1.00 77.63 N +ATOM 103 CA PRO A 17 4.421 -2.917 0.655 1.00 78.45 C +ATOM 104 C PRO A 17 5.176 -2.580 -0.617 1.00 78.02 C +ATOM 105 O PRO A 17 4.588 -2.144 -1.601 1.00 76.45 O +ATOM 106 CB PRO A 17 4.020 -4.393 0.721 1.00 76.29 C +ATOM 107 CG PRO A 17 2.654 -4.414 0.135 1.00 73.54 C +ATOM 108 CD PRO A 17 2.007 -3.136 0.585 1.00 74.48 C +HETATM 109 N HYP A 18 6.467 -2.806 -0.629 1.00 81.97 N +HETATM 110 CA HYP A 18 7.236 -2.567 -1.802 1.00 84.25 C +HETATM 111 C HYP A 18 6.759 -3.393 -2.975 1.00 82.16 C +HETATM 112 O HYP A 18 6.306 -4.531 -2.784 1.00 83.09 O +HETATM 113 CB HYP A 18 8.630 -2.957 -1.394 1.00 79.21 C +HETATM 114 CG HYP A 18 8.655 -2.742 0.088 1.00 74.87 C +HETATM 115 CD HYP A 18 7.270 -3.159 0.504 1.00 83.93 C +HETATM 116 OD1 HYP A 18 8.846 -1.377 0.408 1.00 80.55 O +ATOM 117 N GLY A 19 6.801 -2.810 -4.158 1.00 78.63 N +ATOM 118 CA GLY A 19 6.374 -3.497 -5.343 1.00 76.28 C +ATOM 119 C GLY A 19 7.372 -4.586 -5.695 1.00 77.80 C +ATOM 120 O GLY A 19 8.476 -4.632 -5.152 1.00 77.69 O +ATOM 121 N PRO A 20 6.991 -5.462 -6.600 1.00 74.73 N +ATOM 122 CA PRO A 20 7.891 -6.542 -6.997 1.00 77.16 C +ATOM 123 C PRO A 20 9.030 -5.992 -7.843 1.00 75.91 C +ATOM 124 O PRO A 20 8.953 -4.898 -8.379 1.00 75.07 O +ATOM 125 CB PRO A 20 6.982 -7.472 -7.795 1.00 74.13 C +ATOM 126 CG PRO A 20 5.956 -6.553 -8.360 1.00 70.74 C +ATOM 127 CD PRO A 20 5.701 -5.537 -7.275 1.00 72.29 C +HETATM 128 N HYP A 21 10.100 -6.747 -7.955 1.00 83.35 N +HETATM 129 CA HYP A 21 11.170 -6.367 -8.831 1.00 80.96 C +HETATM 130 C HYP A 21 10.726 -6.147 -10.257 1.00 81.07 C +HETATM 131 O HYP A 21 9.787 -6.818 -10.681 1.00 83.73 O +HETATM 132 CB HYP A 21 12.113 -7.566 -8.722 1.00 81.30 C +HETATM 133 CG HYP A 21 11.844 -8.166 -7.347 1.00 76.35 C +HETATM 134 CD HYP A 21 10.358 -7.972 -7.194 1.00 82.98 C +HETATM 135 OD1 HYP A 21 12.487 -7.423 -6.326 1.00 80.23 O +ATOM 136 N GLY A 22 11.297 -5.201 -10.976 1.00 70.90 N +ATOM 137 CA GLY A 22 10.916 -4.900 -12.327 1.00 68.09 C +ATOM 138 C GLY A 22 11.205 -6.071 -13.254 1.00 68.22 C +ATOM 139 O GLY A 22 11.892 -7.019 -12.873 1.00 67.93 O +ATOM 140 N PRO A 23 10.708 -5.999 -14.474 1.00 75.51 N +ATOM 141 CA PRO A 23 10.932 -7.084 -15.419 1.00 79.09 C +ATOM 142 C PRO A 23 12.378 -7.122 -15.867 1.00 78.02 C +ATOM 143 O PRO A 23 13.074 -6.112 -15.846 1.00 73.76 O +ATOM 144 CB PRO A 23 9.976 -6.753 -16.562 1.00 72.86 C +ATOM 145 CG PRO A 23 9.890 -5.269 -16.515 1.00 66.97 C +ATOM 146 CD PRO A 23 9.881 -4.945 -15.039 1.00 69.39 C +HETATM 147 N HYP A 24 12.835 -8.221 -16.314 1.00 82.36 N +HETATM 148 CA HYP A 24 14.246 -8.280 -16.754 1.00 74.63 C +HETATM 149 C HYP A 24 14.430 -7.317 -17.910 1.00 77.19 C +HETATM 150 O HYP A 24 15.329 -6.536 -17.786 1.00 79.48 O +HETATM 151 CB HYP A 24 14.369 -9.747 -17.266 1.00 76.23 C +HETATM 152 CG HYP A 24 13.243 -10.564 -16.689 1.00 78.11 C +HETATM 153 CD HYP A 24 12.136 -9.528 -16.435 1.00 81.42 C +HETATM 154 OD1 HYP A 24 13.639 -11.070 -15.424 1.00 76.70 O +HETATM 155 OXT HYP A 24 13.644 -7.389 -18.905 1.00 73.63 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_32.txt b/protein_pdb_32.txt new file mode 100644 index 0000000000000000000000000000000000000000..17d78c3897674033190d3ac8755ee9988673a282 --- /dev/null +++ b/protein_pdb_32.txt @@ -0,0 +1,149 @@ +ATOM 1 N GLY A 1 22.425 -13.672 23.619 1.00 84.60 N +ATOM 2 CA GLY A 1 22.146 -14.202 22.287 1.00 86.71 C +ATOM 3 C GLY A 1 22.170 -13.108 21.249 1.00 87.81 C +ATOM 4 O GLY A 1 22.251 -11.925 21.587 1.00 84.34 O +ATOM 5 N PRO A 2 22.096 -13.467 19.988 1.00 85.43 N +ATOM 6 CA PRO A 2 22.105 -12.464 18.922 1.00 87.75 C +ATOM 7 C PRO A 2 20.820 -11.661 18.911 1.00 87.91 C +ATOM 8 O PRO A 2 19.782 -12.114 19.389 1.00 84.35 O +ATOM 9 CB PRO A 2 22.269 -13.292 17.652 1.00 83.51 C +ATOM 10 CG PRO A 2 21.606 -14.585 18.006 1.00 80.43 C +ATOM 11 CD PRO A 2 21.992 -14.817 19.452 1.00 81.44 C +HETATM 12 N HYP A 3 20.942 -10.497 18.444 1.00 92.28 N +HETATM 13 CA HYP A 3 19.759 -9.653 18.218 1.00 91.27 C +HETATM 14 C HYP A 3 18.748 -10.373 17.362 1.00 88.09 C +HETATM 15 O HYP A 3 19.128 -11.131 16.434 1.00 87.83 O +HETATM 16 CB HYP A 3 20.327 -8.439 17.525 1.00 88.90 C +HETATM 17 CG HYP A 3 21.773 -8.381 17.907 1.00 87.18 C +HETATM 18 CD HYP A 3 22.174 -9.872 17.977 1.00 91.07 C +HETATM 19 OD1 HYP A 3 21.956 -7.815 19.171 1.00 89.54 O +ATOM 20 N GLY A 4 17.465 -10.142 17.649 1.00 94.22 N +ATOM 21 CA GLY A 4 16.414 -10.743 16.864 1.00 93.39 C +ATOM 22 C GLY A 4 16.356 -10.091 15.487 1.00 93.50 C +ATOM 23 O GLY A 4 16.997 -9.065 15.244 1.00 92.41 O +ATOM 24 N PRO A 5 15.584 -10.680 14.592 1.00 92.60 N +ATOM 25 CA PRO A 5 15.472 -10.118 13.249 1.00 92.29 C +ATOM 26 C PRO A 5 14.684 -8.820 13.270 1.00 92.20 C +ATOM 27 O PRO A 5 13.926 -8.551 14.196 1.00 90.51 O +ATOM 28 CB PRO A 5 14.750 -11.211 12.471 1.00 89.96 C +ATOM 29 CG PRO A 5 13.909 -11.871 13.518 1.00 88.52 C +ATOM 30 CD PRO A 5 14.788 -11.887 14.750 1.00 90.30 C +HETATM 31 N HYP A 6 14.876 -8.033 12.272 1.00 94.58 N +HETATM 32 CA HYP A 6 14.079 -6.819 12.109 1.00 94.86 C +HETATM 33 C HYP A 6 12.625 -7.148 12.023 1.00 94.78 C +HETATM 34 O HYP A 6 12.259 -8.180 11.461 1.00 92.01 O +HETATM 35 CB HYP A 6 14.611 -6.221 10.782 1.00 92.93 C +HETATM 36 CG HYP A 6 16.028 -6.740 10.677 1.00 90.91 C +HETATM 37 CD HYP A 6 15.900 -8.150 11.270 1.00 93.54 C +HETATM 38 OD1 HYP A 6 16.877 -5.945 11.454 1.00 89.49 O +ATOM 39 N GLY A 7 11.797 -6.274 12.562 1.00 94.53 N +ATOM 40 CA GLY A 7 10.375 -6.491 12.530 1.00 93.76 C +ATOM 41 C GLY A 7 9.878 -6.500 11.094 1.00 93.92 C +ATOM 42 O GLY A 7 10.575 -6.079 10.176 1.00 93.46 O +ATOM 43 N PRO A 8 8.646 -6.973 10.904 1.00 93.56 N +ATOM 44 CA PRO A 8 8.095 -7.008 9.551 1.00 93.10 C +ATOM 45 C PRO A 8 7.766 -5.609 9.047 1.00 93.66 C +ATOM 46 O PRO A 8 7.586 -4.672 9.821 1.00 91.33 O +ATOM 47 CB PRO A 8 6.833 -7.861 9.709 1.00 91.01 C +ATOM 48 CG PRO A 8 6.413 -7.565 11.115 1.00 90.22 C +ATOM 49 CD PRO A 8 7.708 -7.501 11.888 1.00 91.95 C +ATOM 50 N ALA A 9 7.709 -5.490 7.745 1.00 93.09 N +ATOM 51 CA ALA A 9 7.338 -4.222 7.142 1.00 92.64 C +ATOM 52 C ALA A 9 5.905 -3.906 7.548 1.00 93.27 C +ATOM 53 O ALA A 9 5.116 -4.798 7.847 1.00 90.43 O +ATOM 54 CB ALA A 9 7.445 -4.304 5.623 1.00 89.37 C +ATOM 55 N GLY A 10 5.591 -2.634 7.560 1.00 95.35 N +ATOM 56 CA GLY A 10 4.241 -2.229 7.892 1.00 94.65 C +ATOM 57 C GLY A 10 3.264 -2.686 6.833 1.00 95.14 C +ATOM 58 O GLY A 10 3.657 -3.162 5.768 1.00 94.93 O +ATOM 59 N PRO A 11 1.973 -2.540 7.109 1.00 94.43 N +ATOM 60 CA PRO A 11 0.959 -2.955 6.140 1.00 94.29 C +ATOM 61 C PRO A 11 0.987 -2.078 4.898 1.00 94.62 C +ATOM 62 O PRO A 11 1.433 -0.938 4.939 1.00 93.21 O +ATOM 63 CB PRO A 11 -0.351 -2.810 6.912 1.00 92.62 C +ATOM 64 CG PRO A 11 -0.050 -1.726 7.885 1.00 91.69 C +ATOM 65 CD PRO A 11 1.370 -1.983 8.314 1.00 92.99 C +HETATM 66 N HYP A 12 0.532 -2.606 3.818 1.00 96.36 N +HETATM 67 CA HYP A 12 0.370 -1.837 2.588 1.00 95.87 C +HETATM 68 C HYP A 12 -0.497 -0.652 2.813 1.00 96.55 C +HETATM 69 O HYP A 12 -1.384 -0.715 3.657 1.00 94.48 O +HETATM 70 CB HYP A 12 -0.296 -2.862 1.676 1.00 94.29 C +HETATM 71 CG HYP A 12 0.191 -4.204 2.196 1.00 93.29 C +HETATM 72 CD HYP A 12 0.208 -3.985 3.658 1.00 94.91 C +HETATM 73 OD1 HYP A 12 1.498 -4.502 1.751 1.00 92.23 O +ATOM 74 N GLY A 13 -0.244 0.422 2.119 1.00 96.31 N +ATOM 75 CA GLY A 13 -1.068 1.602 2.229 1.00 95.78 C +ATOM 76 C GLY A 13 -2.438 1.336 1.634 1.00 96.14 C +ATOM 77 O GLY A 13 -2.674 0.289 1.029 1.00 95.65 O +ATOM 78 N PRO A 14 -3.350 2.286 1.799 1.00 94.03 N +ATOM 79 CA PRO A 14 -4.691 2.105 1.247 1.00 93.29 C +ATOM 80 C PRO A 14 -4.669 2.164 -0.275 1.00 93.11 C +ATOM 81 O PRO A 14 -3.760 2.730 -0.869 1.00 91.35 O +ATOM 82 CB PRO A 14 -5.475 3.270 1.849 1.00 91.89 C +ATOM 83 CG PRO A 14 -4.433 4.321 2.046 1.00 91.97 C +ATOM 84 CD PRO A 14 -3.215 3.555 2.505 1.00 93.33 C +HETATM 85 N HYP A 15 -5.673 1.612 -0.893 1.00 95.28 N +HETATM 86 CA HYP A 15 -5.804 1.667 -2.335 1.00 95.18 C +HETATM 87 C HYP A 15 -5.907 3.104 -2.800 1.00 93.38 C +HETATM 88 O HYP A 15 -6.503 3.945 -2.112 1.00 89.84 O +HETATM 89 CB HYP A 15 -7.109 0.947 -2.576 1.00 92.47 C +HETATM 90 CG HYP A 15 -7.256 0.002 -1.417 1.00 93.72 C +HETATM 91 CD HYP A 15 -6.674 0.793 -0.283 1.00 95.22 C +HETATM 92 OD1 HYP A 15 -6.499 -1.167 -1.611 1.00 91.69 O +ATOM 93 N GLY A 16 -5.345 3.384 -3.939 1.00 93.42 N +ATOM 94 CA GLY A 16 -5.445 4.711 -4.484 1.00 91.65 C +ATOM 95 C GLY A 16 -6.888 4.990 -4.875 1.00 92.24 C +ATOM 96 O GLY A 16 -7.737 4.098 -4.884 1.00 91.54 O +ATOM 97 N PRO A 17 -7.175 6.248 -5.227 1.00 87.25 N +ATOM 98 CA PRO A 17 -8.538 6.588 -5.619 1.00 85.94 C +ATOM 99 C PRO A 17 -8.910 5.955 -6.955 1.00 85.25 C +ATOM 100 O PRO A 17 -8.050 5.663 -7.782 1.00 81.98 O +ATOM 101 CB PRO A 17 -8.510 8.116 -5.701 1.00 83.35 C +ATOM 102 CG PRO A 17 -7.092 8.405 -6.067 1.00 83.54 C +ATOM 103 CD PRO A 17 -6.284 7.406 -5.280 1.00 85.12 C +ATOM 104 N ALA A 18 -10.178 5.740 -7.147 1.00 82.09 N +ATOM 105 CA ALA A 18 -10.648 5.196 -8.407 1.00 81.61 C +ATOM 106 C ALA A 18 -10.358 6.195 -9.512 1.00 81.89 C +ATOM 107 O ALA A 18 -10.299 7.398 -9.280 1.00 77.17 O +ATOM 108 CB ALA A 18 -12.148 4.914 -8.343 1.00 78.26 C +ATOM 109 N GLY A 19 -10.162 5.672 -10.701 1.00 84.99 N +ATOM 110 CA GLY A 19 -9.902 6.545 -11.833 1.00 84.26 C +ATOM 111 C GLY A 19 -11.143 7.322 -12.211 1.00 84.94 C +ATOM 112 O GLY A 19 -12.238 7.045 -11.713 1.00 84.82 O +ATOM 113 N PRO A 20 -11.003 8.291 -13.098 1.00 84.00 N +ATOM 114 CA PRO A 20 -12.146 9.089 -13.516 1.00 84.29 C +ATOM 115 C PRO A 20 -13.084 8.283 -14.403 1.00 84.13 C +ATOM 116 O PRO A 20 -12.702 7.262 -14.965 1.00 82.25 O +ATOM 117 CB PRO A 20 -11.507 10.250 -14.280 1.00 80.85 C +ATOM 118 CG PRO A 20 -10.264 9.645 -14.840 1.00 78.58 C +ATOM 119 CD PRO A 20 -9.761 8.731 -13.745 1.00 80.13 C +HETATM 120 N HYP A 21 -14.317 8.726 -14.535 1.00 90.98 N +HETATM 121 CA HYP A 21 -15.241 8.129 -15.408 1.00 90.75 C +HETATM 122 C HYP A 21 -14.775 8.102 -16.829 1.00 92.45 C +HETATM 123 O HYP A 21 -14.055 9.012 -17.250 1.00 87.41 O +HETATM 124 CB HYP A 21 -16.484 8.998 -15.276 1.00 90.21 C +HETATM 125 CG HYP A 21 -16.388 9.594 -13.894 1.00 89.84 C +HETATM 126 CD HYP A 21 -14.914 9.808 -13.738 1.00 91.42 C +HETATM 127 OD1 HYP A 21 -16.814 8.669 -12.896 1.00 87.80 O +ATOM 128 N GLY A 22 -15.084 7.045 -17.566 1.00 82.13 N +ATOM 129 CA GLY A 22 -14.707 6.950 -18.950 1.00 80.25 C +ATOM 130 C GLY A 22 -15.441 8.013 -19.757 1.00 80.31 C +ATOM 131 O GLY A 22 -16.344 8.681 -19.252 1.00 79.49 O +ATOM 132 N PRO A 23 -15.093 8.164 -21.040 1.00 84.14 N +ATOM 133 CA PRO A 23 -15.740 9.174 -21.870 1.00 84.97 C +ATOM 134 C PRO A 23 -17.181 8.806 -22.162 1.00 84.20 C +ATOM 135 O PRO A 23 -17.555 7.638 -22.171 1.00 79.71 O +ATOM 136 CB PRO A 23 -14.886 9.185 -23.135 1.00 79.70 C +ATOM 137 CG PRO A 23 -14.376 7.786 -23.206 1.00 75.35 C +ATOM 138 CD PRO A 23 -14.083 7.413 -21.773 1.00 77.63 C +HETATM 139 N HYP A 24 -18.008 9.782 -22.457 1.00 83.39 N +HETATM 140 CA HYP A 24 -19.383 9.462 -22.814 1.00 84.90 C +HETATM 141 C HYP A 24 -19.361 8.742 -24.142 1.00 81.78 C +HETATM 142 O HYP A 24 -18.700 9.230 -25.085 1.00 83.18 O +HETATM 143 CB HYP A 24 -20.087 10.837 -23.008 1.00 85.57 C +HETATM 144 CG HYP A 24 -19.218 11.842 -22.309 1.00 82.27 C +HETATM 145 CD HYP A 24 -17.796 11.227 -22.364 1.00 83.93 C +HETATM 146 OD1 HYP A 24 -19.629 11.901 -20.950 1.00 80.60 O +HETATM 147 OXT HYP A 24 -19.981 7.672 -24.152 1.00 77.22 O +TER 148 HYP A 24 +END diff --git a/protein_pdb_320.txt b/protein_pdb_320.txt new file mode 100644 index 0000000000000000000000000000000000000000..dc99450d2d9253419112b4601888e6537cc5daf6 --- /dev/null +++ b/protein_pdb_320.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -3.067 12.194 -9.640 1.00 91.80 N +ATOM 2 CA GLY A 1 -2.081 12.155 -8.601 1.00 92.72 C +ATOM 3 C GLY A 1 -1.235 10.901 -8.658 1.00 93.21 C +ATOM 4 O GLY A 1 -1.594 9.932 -9.313 1.00 91.39 O +ATOM 5 N PRO A 2 -0.161 10.883 -7.975 1.00 92.70 N +ATOM 6 CA PRO A 2 0.717 9.727 -7.962 1.00 93.38 C +ATOM 7 C PRO A 2 0.147 8.598 -7.114 1.00 93.54 C +ATOM 8 O PRO A 2 -0.777 8.794 -6.334 1.00 92.23 O +ATOM 9 CB PRO A 2 2.000 10.284 -7.362 1.00 90.51 C +ATOM 10 CG PRO A 2 1.528 11.374 -6.478 1.00 86.78 C +ATOM 11 CD PRO A 2 0.364 11.995 -7.190 1.00 89.53 C +HETATM 12 N HYP A 3 0.731 7.432 -7.297 1.00 93.88 N +HETATM 13 CA HYP A 3 0.324 6.292 -6.471 1.00 91.28 C +HETATM 14 C HYP A 3 0.591 6.554 -5.001 1.00 92.27 C +HETATM 15 O HYP A 3 1.542 7.294 -4.655 1.00 94.48 O +HETATM 16 CB HYP A 3 1.281 5.161 -6.965 1.00 91.38 C +HETATM 17 CG HYP A 3 1.616 5.539 -8.395 1.00 88.52 C +HETATM 18 CD HYP A 3 1.698 7.090 -8.325 1.00 91.84 C +HETATM 19 OD1 HYP A 3 0.551 5.170 -9.217 1.00 90.87 O +ATOM 20 N GLY A 4 -0.286 6.019 -4.181 1.00 93.42 N +ATOM 21 CA GLY A 4 -0.118 6.153 -2.763 1.00 92.88 C +ATOM 22 C GLY A 4 1.093 5.389 -2.268 1.00 93.50 C +ATOM 23 O GLY A 4 1.695 4.595 -2.992 1.00 94.05 O +ATOM 24 N PRO A 5 1.472 5.617 -1.014 1.00 93.51 N +ATOM 25 CA PRO A 5 2.616 4.919 -0.452 1.00 93.48 C +ATOM 26 C PRO A 5 2.297 3.454 -0.200 1.00 93.53 C +ATOM 27 O PRO A 5 1.140 3.058 -0.149 1.00 92.97 O +ATOM 28 CB PRO A 5 2.875 5.670 0.853 1.00 91.67 C +ATOM 29 CG PRO A 5 1.532 6.169 1.236 1.00 89.66 C +ATOM 30 CD PRO A 5 0.847 6.520 -0.053 1.00 92.50 C +HETATM 31 N HYP A 6 3.362 2.681 -0.044 1.00 93.95 N +HETATM 32 CA HYP A 6 3.171 1.280 0.303 1.00 94.99 C +HETATM 33 C HYP A 6 2.450 1.113 1.617 1.00 95.59 C +HETATM 34 O HYP A 6 2.567 1.970 2.533 1.00 93.41 O +HETATM 35 CB HYP A 6 4.645 0.793 0.434 1.00 91.08 C +HETATM 36 CG HYP A 6 5.429 1.704 -0.484 1.00 89.67 C +HETATM 37 CD HYP A 6 4.740 3.047 -0.261 1.00 91.96 C +HETATM 38 OD1 HYP A 6 5.255 1.297 -1.808 1.00 90.54 O +ATOM 39 N GLY A 7 1.649 0.093 1.690 1.00 92.91 N +ATOM 40 CA GLY A 7 0.946 -0.207 2.902 1.00 92.19 C +ATOM 41 C GLY A 7 1.881 -0.668 4.001 1.00 92.52 C +ATOM 42 O GLY A 7 3.072 -0.867 3.780 1.00 92.77 O +ATOM 43 N PRO A 8 1.341 -0.840 5.200 1.00 94.32 N +ATOM 44 CA PRO A 8 2.157 -1.309 6.309 1.00 94.16 C +ATOM 45 C PRO A 8 2.511 -2.779 6.146 1.00 94.54 C +ATOM 46 O PRO A 8 1.935 -3.492 5.334 1.00 93.25 O +ATOM 47 CB PRO A 8 1.258 -1.083 7.521 1.00 92.29 C +ATOM 48 CG PRO A 8 -0.108 -1.217 6.967 1.00 91.07 C +ATOM 49 CD PRO A 8 -0.041 -0.632 5.579 1.00 93.01 C +HETATM 50 N HYP A 9 3.484 -3.221 6.925 1.00 93.67 N +HETATM 51 CA HYP A 9 3.848 -4.605 6.920 1.00 93.18 C +HETATM 52 C HYP A 9 2.734 -5.511 7.301 1.00 94.67 C +HETATM 53 O HYP A 9 1.897 -5.178 8.149 1.00 93.34 O +HETATM 54 CB HYP A 9 4.984 -4.693 7.982 1.00 89.11 C +HETATM 55 CG HYP A 9 5.554 -3.333 8.016 1.00 88.26 C +HETATM 56 CD HYP A 9 4.380 -2.420 7.792 1.00 92.59 C +HETATM 57 OD1 HYP A 9 6.458 -3.188 6.942 1.00 86.85 O +ATOM 58 N GLY A 10 2.613 -6.646 6.648 1.00 93.81 N +ATOM 59 CA GLY A 10 1.727 -7.686 7.083 1.00 92.28 C +ATOM 60 C GLY A 10 2.216 -8.261 8.398 1.00 92.41 C +ATOM 61 O GLY A 10 3.242 -7.850 8.942 1.00 91.55 O +ATOM 62 N TYR A 11 1.478 -9.250 8.925 1.00 93.41 N +ATOM 63 CA TYR A 11 1.847 -9.825 10.217 1.00 93.65 C +ATOM 64 C TYR A 11 3.309 -10.270 10.231 1.00 93.77 C +ATOM 65 O TYR A 11 4.039 -9.970 11.172 1.00 92.42 O +ATOM 66 CB TYR A 11 0.917 -11.005 10.516 1.00 93.00 C +ATOM 67 CG TYR A 11 1.275 -11.733 11.786 1.00 88.96 C +ATOM 68 CD1 TYR A 11 1.303 -11.058 13.002 1.00 87.57 C +ATOM 69 CD2 TYR A 11 1.607 -13.079 11.771 1.00 85.99 C +ATOM 70 CE1 TYR A 11 1.643 -11.714 14.164 1.00 83.84 C +ATOM 71 CE2 TYR A 11 1.946 -13.743 12.933 1.00 83.67 C +ATOM 72 CZ TYR A 11 1.963 -13.059 14.129 1.00 84.34 C +ATOM 73 OH TYR A 11 2.311 -13.714 15.290 1.00 84.70 O +ATOM 74 N MET A 12 3.726 -10.979 9.195 1.00 94.60 N +ATOM 75 CA MET A 12 5.117 -11.394 9.035 1.00 95.25 C +ATOM 76 C MET A 12 5.629 -11.079 7.638 1.00 95.37 C +ATOM 77 O MET A 12 6.587 -11.697 7.174 1.00 91.80 O +ATOM 78 CB MET A 12 5.268 -12.901 9.301 1.00 93.44 C +ATOM 79 CG MET A 12 5.098 -13.285 10.747 1.00 89.37 C +ATOM 80 SD MET A 12 6.337 -12.557 11.814 1.00 85.03 S +ATOM 81 CE MET A 12 7.825 -13.314 11.190 1.00 76.66 C +ATOM 82 N GLY A 13 5.006 -10.128 6.967 1.00 95.39 N +ATOM 83 CA GLY A 13 5.276 -9.899 5.569 1.00 94.79 C +ATOM 84 C GLY A 13 5.761 -8.509 5.247 1.00 95.03 C +ATOM 85 O GLY A 13 5.886 -7.650 6.122 1.00 94.73 O +ATOM 86 N PRO A 14 6.045 -8.292 3.985 1.00 95.12 N +ATOM 87 CA PRO A 14 6.517 -6.996 3.515 1.00 94.97 C +ATOM 88 C PRO A 14 5.403 -5.978 3.503 1.00 95.21 C +ATOM 89 O PRO A 14 4.241 -6.293 3.727 1.00 94.42 O +ATOM 90 CB PRO A 14 7.008 -7.306 2.101 1.00 93.68 C +ATOM 91 CG PRO A 14 6.116 -8.401 1.655 1.00 92.26 C +ATOM 92 CD PRO A 14 5.887 -9.242 2.882 1.00 93.81 C +HETATM 93 N HYP A 15 5.804 -4.772 3.239 1.00 95.99 N +HETATM 94 CA HYP A 15 4.821 -3.731 3.052 1.00 95.77 C +HETATM 95 C HYP A 15 3.819 -4.050 2.013 1.00 96.68 C +HETATM 96 O HYP A 15 4.143 -4.778 1.042 1.00 95.13 O +HETATM 97 CB HYP A 15 5.722 -2.543 2.681 1.00 93.25 C +HETATM 98 CG HYP A 15 7.043 -2.841 3.373 1.00 92.14 C +HETATM 99 CD HYP A 15 7.181 -4.340 3.196 1.00 94.35 C +HETATM 100 OD1 HYP A 15 6.980 -2.506 4.723 1.00 92.02 O +ATOM 101 N GLY A 16 2.614 -3.590 2.195 1.00 95.80 N +ATOM 102 CA GLY A 16 1.581 -3.787 1.223 1.00 95.45 C +ATOM 103 C GLY A 16 1.869 -3.037 -0.062 1.00 95.71 C +ATOM 104 O GLY A 16 2.818 -2.262 -0.146 1.00 95.52 O +ATOM 105 N PRO A 17 1.038 -3.276 -1.073 1.00 94.14 N +ATOM 106 CA PRO A 17 1.240 -2.617 -2.354 1.00 93.79 C +ATOM 107 C PRO A 17 0.938 -1.133 -2.274 1.00 94.33 C +ATOM 108 O PRO A 17 0.272 -0.666 -1.355 1.00 93.39 O +ATOM 109 CB PRO A 17 0.264 -3.341 -3.278 1.00 92.30 C +ATOM 110 CG PRO A 17 -0.809 -3.795 -2.364 1.00 90.88 C +ATOM 111 CD PRO A 17 -0.122 -4.150 -1.082 1.00 92.89 C +HETATM 112 N HYP A 18 1.454 -0.410 -3.237 1.00 93.17 N +HETATM 113 CA HYP A 18 1.153 0.974 -3.344 1.00 93.48 C +HETATM 114 C HYP A 18 -0.314 1.255 -3.494 1.00 94.86 C +HETATM 115 O HYP A 18 -1.066 0.413 -4.051 1.00 93.04 O +HETATM 116 CB HYP A 18 1.885 1.358 -4.656 1.00 91.73 C +HETATM 117 CG HYP A 18 3.006 0.362 -4.790 1.00 89.82 C +HETATM 118 CD HYP A 18 2.358 -0.904 -4.262 1.00 93.06 C +HETATM 119 OD1 HYP A 18 4.082 0.735 -3.936 1.00 89.69 O +ATOM 120 N GLY A 19 -0.753 2.350 -2.972 1.00 92.02 N +ATOM 121 CA GLY A 19 -2.115 2.761 -3.139 1.00 91.75 C +ATOM 122 C GLY A 19 -2.399 3.141 -4.577 1.00 91.71 C +ATOM 123 O GLY A 19 -1.495 3.270 -5.397 1.00 92.49 O +ATOM 124 N PRO A 20 -3.679 3.313 -4.893 1.00 91.50 N +ATOM 125 CA PRO A 20 -4.049 3.680 -6.252 1.00 91.46 C +ATOM 126 C PRO A 20 -3.662 5.112 -6.561 1.00 91.72 C +ATOM 127 O PRO A 20 -3.403 5.908 -5.662 1.00 91.67 O +ATOM 128 CB PRO A 20 -5.562 3.490 -6.259 1.00 88.99 C +ATOM 129 CG PRO A 20 -5.950 3.746 -4.847 1.00 85.98 C +ATOM 130 CD PRO A 20 -4.826 3.203 -4.016 1.00 88.87 C +HETATM 131 N HYP A 21 -3.608 5.411 -7.845 1.00 93.16 N +HETATM 132 CA HYP A 21 -3.356 6.756 -8.249 1.00 91.39 C +HETATM 133 C HYP A 21 -4.384 7.740 -7.759 1.00 93.27 C +HETATM 134 O HYP A 21 -5.557 7.371 -7.653 1.00 93.66 O +HETATM 135 CB HYP A 21 -3.417 6.678 -9.792 1.00 89.82 C +HETATM 136 CG HYP A 21 -3.065 5.256 -10.120 1.00 87.46 C +HETATM 137 CD HYP A 21 -3.679 4.459 -8.972 1.00 92.19 C +HETATM 138 OD1 HYP A 21 -1.650 5.110 -10.067 1.00 87.95 O +ATOM 139 N GLY A 22 -3.968 8.897 -7.387 1.00 91.94 N +ATOM 140 CA GLY A 22 -4.887 9.930 -7.014 1.00 90.17 C +ATOM 141 C GLY A 22 -5.579 10.493 -8.244 1.00 90.12 C +ATOM 142 O GLY A 22 -5.251 10.138 -9.374 1.00 90.31 O +ATOM 143 N PRO A 23 -6.541 11.393 -8.049 1.00 92.30 N +ATOM 144 CA PRO A 23 -7.216 11.998 -9.186 1.00 92.09 C +ATOM 145 C PRO A 23 -6.265 12.920 -9.922 1.00 90.72 C +ATOM 146 O PRO A 23 -5.700 13.830 -9.332 1.00 87.32 O +ATOM 147 CB PRO A 23 -8.373 12.760 -8.548 1.00 88.78 C +ATOM 148 CG PRO A 23 -7.890 13.069 -7.181 1.00 85.46 C +ATOM 149 CD PRO A 23 -7.034 11.902 -6.777 1.00 89.67 C +HETATM 150 N HYP A 24 -6.033 12.710 -11.098 1.00 93.69 N +HETATM 151 CA HYP A 24 -4.844 13.267 -11.810 1.00 88.52 C +HETATM 152 C HYP A 24 -3.574 13.189 -11.273 1.00 92.98 C +HETATM 153 O HYP A 24 -2.799 14.178 -11.004 1.00 92.38 O +HETATM 154 CB HYP A 24 -5.249 13.796 -13.055 1.00 88.65 C +HETATM 155 CG HYP A 24 -6.780 13.746 -13.027 1.00 88.75 C +HETATM 156 CD HYP A 24 -7.212 13.025 -11.727 1.00 91.82 C +HETATM 157 OD1 HYP A 24 -7.256 12.952 -14.104 1.00 88.68 O +HETATM 158 OXT HYP A 24 -2.824 12.109 -11.529 1.00 87.85 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_321.txt b/protein_pdb_321.txt new file mode 100644 index 0000000000000000000000000000000000000000..cfd8f59b900286a5d2d155a1ba0b3aab0dcf7836 --- /dev/null +++ b/protein_pdb_321.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -4.818 -28.635 20.375 1.00 83.90 N +ATOM 2 CA GLY A 1 -5.344 -28.616 19.014 1.00 86.92 C +ATOM 3 C GLY A 1 -4.507 -27.734 18.110 1.00 86.84 C +ATOM 4 O GLY A 1 -3.639 -26.997 18.592 1.00 84.34 O +ATOM 5 N PRO A 2 -4.736 -27.769 16.813 1.00 85.52 N +ATOM 6 CA PRO A 2 -3.970 -26.953 15.879 1.00 88.28 C +ATOM 7 C PRO A 2 -4.318 -25.477 15.998 1.00 88.00 C +ATOM 8 O PRO A 2 -5.393 -25.127 16.467 1.00 87.46 O +ATOM 9 CB PRO A 2 -4.354 -27.515 14.507 1.00 85.47 C +ATOM 10 CG PRO A 2 -5.739 -28.010 14.725 1.00 80.86 C +ATOM 11 CD PRO A 2 -5.723 -28.592 16.124 1.00 82.38 C +HETATM 12 N HYP A 3 -3.472 -24.710 15.636 1.00 86.37 N +HETATM 13 CA HYP A 3 -3.687 -23.200 15.553 1.00 84.96 C +HETATM 14 C HYP A 3 -4.849 -22.855 14.640 1.00 84.98 C +HETATM 15 O HYP A 3 -5.116 -23.577 13.661 1.00 87.10 O +HETATM 16 CB HYP A 3 -2.348 -22.716 14.966 1.00 83.24 C +HETATM 17 CG HYP A 3 -1.321 -23.807 15.327 1.00 80.07 C +HETATM 18 CD HYP A 3 -2.134 -25.115 15.189 1.00 83.91 C +HETATM 19 OD1 HYP A 3 -0.883 -23.676 16.653 1.00 86.18 O +ATOM 20 N GLY A 4 -5.538 -21.771 14.947 1.00 89.52 N +ATOM 21 CA GLY A 4 -6.624 -21.316 14.122 1.00 88.67 C +ATOM 22 C GLY A 4 -6.105 -20.740 12.811 1.00 88.64 C +ATOM 23 O GLY A 4 -4.900 -20.537 12.641 1.00 88.09 O +ATOM 24 N PRO A 5 -7.006 -20.445 11.880 1.00 89.14 N +ATOM 25 CA PRO A 5 -6.592 -19.891 10.586 1.00 89.69 C +ATOM 26 C PRO A 5 -6.115 -18.455 10.725 1.00 89.60 C +ATOM 27 O PRO A 5 -6.466 -17.759 11.669 1.00 89.15 O +ATOM 28 CB PRO A 5 -7.860 -19.987 9.744 1.00 87.23 C +ATOM 29 CG PRO A 5 -8.952 -19.876 10.754 1.00 84.84 C +ATOM 30 CD PRO A 5 -8.445 -20.646 11.948 1.00 87.25 C +HETATM 31 N HYP A 6 -5.319 -18.043 9.800 1.00 86.68 N +HETATM 32 CA HYP A 6 -4.875 -16.591 9.750 1.00 90.36 C +HETATM 33 C HYP A 6 -6.033 -15.678 9.547 1.00 86.15 C +HETATM 34 O HYP A 6 -7.037 -16.022 8.899 1.00 85.42 O +HETATM 35 CB HYP A 6 -3.961 -16.644 8.486 1.00 81.91 C +HETATM 36 CG HYP A 6 -3.460 -18.102 8.365 1.00 81.08 C +HETATM 37 CD HYP A 6 -4.676 -18.884 8.796 1.00 84.85 C +HETATM 38 OD1 HYP A 6 -2.371 -18.348 9.236 1.00 85.05 O +ATOM 39 N GLY A 7 -5.938 -14.448 10.110 1.00 90.82 N +ATOM 40 CA GLY A 7 -6.961 -13.447 9.955 1.00 89.76 C +ATOM 41 C GLY A 7 -6.995 -12.905 8.534 1.00 89.83 C +ATOM 42 O GLY A 7 -6.112 -13.201 7.728 1.00 89.04 O +ATOM 43 N PRO A 8 -8.001 -12.096 8.224 1.00 89.34 N +ATOM 44 CA PRO A 8 -8.113 -11.534 6.877 1.00 89.47 C +ATOM 45 C PRO A 8 -7.070 -10.451 6.627 1.00 89.03 C +ATOM 46 O PRO A 8 -6.531 -9.864 7.562 1.00 87.19 O +ATOM 47 CB PRO A 8 -9.526 -10.967 6.847 1.00 86.87 C +ATOM 48 CG PRO A 8 -9.771 -10.591 8.273 1.00 86.78 C +ATOM 49 CD PRO A 8 -9.107 -11.690 9.072 1.00 89.22 C +HETATM 50 N HYP A 9 -6.794 -10.183 5.377 1.00 86.37 N +HETATM 51 CA HYP A 9 -5.888 -9.078 4.998 1.00 88.29 C +HETATM 52 C HYP A 9 -6.426 -7.772 5.390 1.00 86.75 C +HETATM 53 O HYP A 9 -7.651 -7.541 5.380 1.00 84.37 O +HETATM 54 CB HYP A 9 -5.846 -9.258 3.441 1.00 85.07 C +HETATM 55 CG HYP A 9 -6.203 -10.700 3.167 1.00 82.17 C +HETATM 56 CD HYP A 9 -7.183 -11.007 4.240 1.00 85.66 C +HETATM 57 OD1 HYP A 9 -5.072 -11.540 3.316 1.00 82.37 O +ATOM 58 N GLY A 10 -5.545 -6.798 5.739 1.00 87.54 N +ATOM 59 CA GLY A 10 -5.952 -5.460 6.106 1.00 85.40 C +ATOM 60 C GLY A 10 -6.482 -4.691 4.910 1.00 85.58 C +ATOM 61 O GLY A 10 -6.322 -5.097 3.757 1.00 83.44 O +ATOM 62 N LEU A 11 -7.111 -3.554 5.186 1.00 86.19 N +ATOM 63 CA LEU A 11 -7.650 -2.703 4.136 1.00 87.37 C +ATOM 64 C LEU A 11 -6.533 -1.942 3.439 1.00 87.12 C +ATOM 65 O LEU A 11 -5.512 -1.619 4.039 1.00 85.01 O +ATOM 66 CB LEU A 11 -8.648 -1.703 4.715 1.00 84.85 C +ATOM 67 CG LEU A 11 -9.897 -2.287 5.359 1.00 79.09 C +ATOM 68 CD1 LEU A 11 -10.729 -1.166 5.961 1.00 76.87 C +ATOM 69 CD2 LEU A 11 -10.712 -3.071 4.346 1.00 73.80 C +ATOM 70 N ALA A 12 -6.746 -1.643 2.158 1.00 82.14 N +ATOM 71 CA ALA A 12 -5.783 -0.845 1.419 1.00 82.95 C +ATOM 72 C ALA A 12 -5.754 0.559 2.001 1.00 83.95 C +ATOM 73 O ALA A 12 -6.778 1.070 2.467 1.00 78.57 O +ATOM 74 CB ALA A 12 -6.152 -0.796 -0.060 1.00 78.62 C +ATOM 75 N GLY A 13 -4.574 1.169 1.988 1.00 84.49 N +ATOM 76 CA GLY A 13 -4.441 2.515 2.517 1.00 83.36 C +ATOM 77 C GLY A 13 -5.063 3.565 1.621 1.00 83.53 C +ATOM 78 O GLY A 13 -5.512 3.267 0.511 1.00 84.24 O +ATOM 79 N PRO A 14 -5.098 4.821 2.084 1.00 82.52 N +ATOM 80 CA PRO A 14 -5.681 5.907 1.310 1.00 84.85 C +ATOM 81 C PRO A 14 -4.781 6.309 0.140 1.00 84.54 C +ATOM 82 O PRO A 14 -3.612 5.940 0.092 1.00 85.20 O +ATOM 83 CB PRO A 14 -5.801 7.041 2.320 1.00 83.09 C +ATOM 84 CG PRO A 14 -4.664 6.784 3.253 1.00 80.38 C +ATOM 85 CD PRO A 14 -4.621 5.281 3.389 1.00 80.22 C +HETATM 86 N HYP A 15 -5.328 7.089 -0.828 1.00 79.77 N +HETATM 87 CA HYP A 15 -4.558 7.619 -1.914 1.00 81.08 C +HETATM 88 C HYP A 15 -3.361 8.440 -1.465 1.00 83.07 C +HETATM 89 O HYP A 15 -3.433 9.031 -0.356 1.00 79.41 O +HETATM 90 CB HYP A 15 -5.573 8.474 -2.671 1.00 80.66 C +HETATM 91 CG HYP A 15 -6.874 7.793 -2.364 1.00 76.38 C +HETATM 92 CD HYP A 15 -6.698 7.379 -0.953 1.00 81.03 C +HETATM 93 OD1 HYP A 15 -7.074 6.677 -3.180 1.00 81.18 O +ATOM 94 N GLY A 16 -2.322 8.453 -2.190 1.00 89.41 N +ATOM 95 CA GLY A 16 -1.153 9.215 -1.838 1.00 87.76 C +ATOM 96 C GLY A 16 -1.410 10.710 -1.926 1.00 87.52 C +ATOM 97 O GLY A 16 -2.455 11.144 -2.412 1.00 88.08 O +ATOM 98 N PRO A 17 -0.436 11.520 -1.463 1.00 78.60 N +ATOM 99 CA PRO A 17 -0.585 12.973 -1.502 1.00 80.08 C +ATOM 100 C PRO A 17 -0.480 13.510 -2.917 1.00 79.73 C +ATOM 101 O PRO A 17 0.048 12.855 -3.809 1.00 81.86 O +ATOM 102 CB PRO A 17 0.565 13.466 -0.628 1.00 78.80 C +ATOM 103 CG PRO A 17 1.606 12.413 -0.799 1.00 76.90 C +ATOM 104 CD PRO A 17 0.834 11.119 -0.852 1.00 75.97 C +HETATM 105 N HYP A 18 -0.968 14.705 -3.171 1.00 80.46 N +HETATM 106 CA HYP A 18 -0.831 15.387 -4.424 1.00 86.39 C +HETATM 107 C HYP A 18 0.601 15.605 -4.850 1.00 81.36 C +HETATM 108 O HYP A 18 1.485 15.749 -3.987 1.00 85.79 O +HETATM 109 CB HYP A 18 -1.542 16.706 -4.147 1.00 81.08 C +HETATM 110 CG HYP A 18 -2.557 16.391 -3.071 1.00 78.88 C +HETATM 111 CD HYP A 18 -1.813 15.393 -2.246 1.00 82.41 C +HETATM 112 OD1 HYP A 18 -3.713 15.785 -3.606 1.00 83.99 O +ATOM 113 N GLY A 19 0.873 15.605 -6.120 1.00 86.81 N +ATOM 114 CA GLY A 19 2.198 15.813 -6.640 1.00 85.97 C +ATOM 115 C GLY A 19 2.684 17.228 -6.390 1.00 86.23 C +ATOM 116 O GLY A 19 1.933 18.078 -5.912 1.00 85.63 O +ATOM 117 N PRO A 20 3.941 17.497 -6.726 1.00 79.11 N +ATOM 118 CA PRO A 20 4.515 18.821 -6.503 1.00 79.88 C +ATOM 119 C PRO A 20 3.954 19.846 -7.480 1.00 79.53 C +ATOM 120 O PRO A 20 3.411 19.501 -8.516 1.00 78.51 O +ATOM 121 CB PRO A 20 6.013 18.596 -6.726 1.00 76.75 C +ATOM 122 CG PRO A 20 6.044 17.480 -7.710 1.00 74.84 C +ATOM 123 CD PRO A 20 4.922 16.568 -7.294 1.00 75.71 C +HETATM 124 N HYP A 21 4.068 21.112 -7.164 1.00 86.58 N +HETATM 125 CA HYP A 21 3.682 22.209 -8.039 1.00 85.85 C +HETATM 126 C HYP A 21 4.430 22.250 -9.355 1.00 85.19 C +HETATM 127 O HYP A 21 5.619 21.886 -9.401 1.00 88.22 O +HETATM 128 CB HYP A 21 4.086 23.447 -7.175 1.00 85.46 C +HETATM 129 CG HYP A 21 4.066 22.974 -5.735 1.00 80.40 C +HETATM 130 CD HYP A 21 4.550 21.552 -5.864 1.00 84.51 C +HETATM 131 OD1 HYP A 21 2.737 22.943 -5.211 1.00 85.37 O +ATOM 132 N GLY A 22 3.778 22.611 -10.422 1.00 84.54 N +ATOM 133 CA GLY A 22 4.402 22.730 -11.712 1.00 83.86 C +ATOM 134 C GLY A 22 5.370 23.903 -11.736 1.00 84.14 C +ATOM 135 O GLY A 22 5.453 24.675 -10.778 1.00 82.47 O +ATOM 136 N PRO A 23 6.089 24.096 -12.846 1.00 83.54 N +ATOM 137 CA PRO A 23 7.045 25.194 -12.937 1.00 84.96 C +ATOM 138 C PRO A 23 6.320 26.524 -13.042 1.00 83.94 C +ATOM 139 O PRO A 23 5.182 26.596 -13.489 1.00 80.24 O +ATOM 140 CB PRO A 23 7.843 24.868 -14.196 1.00 80.16 C +ATOM 141 CG PRO A 23 6.877 24.100 -15.024 1.00 76.86 C +ATOM 142 CD PRO A 23 6.097 23.261 -14.036 1.00 78.44 C +HETATM 143 N HYP A 24 6.971 27.641 -12.682 1.00 84.66 N +HETATM 144 CA HYP A 24 6.276 28.929 -12.829 1.00 83.23 C +HETATM 145 C HYP A 24 6.261 29.241 -14.336 1.00 82.06 C +HETATM 146 O HYP A 24 5.420 29.964 -14.749 1.00 82.73 O +HETATM 147 CB HYP A 24 7.290 29.941 -12.190 1.00 83.64 C +HETATM 148 CG HYP A 24 8.177 29.169 -11.280 1.00 82.03 C +HETATM 149 CD HYP A 24 8.239 27.765 -11.939 1.00 84.89 C +HETATM 150 OD1 HYP A 24 7.568 29.041 -10.020 1.00 79.88 O +HETATM 151 OXT HYP A 24 7.153 28.757 -15.054 1.00 80.47 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_322.txt b/protein_pdb_322.txt new file mode 100644 index 0000000000000000000000000000000000000000..8c08d9d5980b155bb0234c751ccb3995bf6ddeef --- /dev/null +++ b/protein_pdb_322.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -10.187 13.910 1.487 1.00 94.30 N +ATOM 2 CA GLY A 1 -10.346 12.689 0.772 1.00 94.52 C +ATOM 3 C GLY A 1 -10.243 11.445 1.629 1.00 95.21 C +ATOM 4 O GLY A 1 -9.766 11.495 2.759 1.00 94.08 O +ATOM 5 N PRO A 2 -10.654 10.328 1.090 1.00 94.40 N +ATOM 6 CA PRO A 2 -10.615 9.062 1.800 1.00 94.58 C +ATOM 7 C PRO A 2 -9.208 8.491 1.866 1.00 94.74 C +ATOM 8 O PRO A 2 -8.322 8.904 1.123 1.00 92.97 O +ATOM 9 CB PRO A 2 -11.538 8.179 0.962 1.00 92.70 C +ATOM 10 CG PRO A 2 -11.378 8.718 -0.415 1.00 89.37 C +ATOM 11 CD PRO A 2 -11.238 10.203 -0.234 1.00 92.28 C +HETATM 12 N HYP A 3 -9.036 7.543 2.753 1.00 94.08 N +HETATM 13 CA HYP A 3 -7.755 6.862 2.858 1.00 92.68 C +HETATM 14 C HYP A 3 -7.421 6.099 1.559 1.00 94.07 C +HETATM 15 O HYP A 3 -8.364 5.652 0.873 1.00 96.06 O +HETATM 16 CB HYP A 3 -8.019 5.825 3.995 1.00 92.72 C +HETATM 17 CG HYP A 3 -9.104 6.460 4.833 1.00 90.73 C +HETATM 18 CD HYP A 3 -9.966 7.164 3.757 1.00 93.13 C +HETATM 19 OD1 HYP A 3 -8.511 7.417 5.660 1.00 93.04 O +ATOM 20 N GLY A 4 -6.180 6.038 1.249 1.00 95.42 N +ATOM 21 CA GLY A 4 -5.761 5.309 0.082 1.00 94.58 C +ATOM 22 C GLY A 4 -5.954 3.813 0.266 1.00 94.90 C +ATOM 23 O GLY A 4 -6.241 3.341 1.365 1.00 94.84 O +ATOM 24 N PRO A 5 -5.790 3.047 -0.818 1.00 95.61 N +ATOM 25 CA PRO A 5 -5.948 1.602 -0.759 1.00 95.18 C +ATOM 26 C PRO A 5 -4.798 0.934 -0.024 1.00 94.93 C +ATOM 27 O PRO A 5 -3.728 1.519 0.140 1.00 93.89 O +ATOM 28 CB PRO A 5 -5.993 1.194 -2.228 1.00 94.11 C +ATOM 29 CG PRO A 5 -5.148 2.221 -2.900 1.00 92.08 C +ATOM 30 CD PRO A 5 -5.425 3.498 -2.158 1.00 94.30 C +HETATM 31 N HYP A 6 -5.048 -0.309 0.425 1.00 93.95 N +HETATM 32 CA HYP A 6 -3.993 -1.088 1.029 1.00 95.29 C +HETATM 33 C HYP A 6 -2.820 -1.286 0.078 1.00 95.09 C +HETATM 34 O HYP A 6 -3.030 -1.316 -1.166 1.00 95.46 O +HETATM 35 CB HYP A 6 -4.689 -2.444 1.321 1.00 92.89 C +HETATM 36 CG HYP A 6 -6.153 -2.109 1.469 1.00 92.35 C +HETATM 37 CD HYP A 6 -6.330 -0.999 0.434 1.00 93.74 C +HETATM 38 OD1 HYP A 6 -6.395 -1.592 2.750 1.00 92.54 O +ATOM 39 N GLY A 7 -1.659 -1.378 0.600 1.00 94.81 N +ATOM 40 CA GLY A 7 -0.499 -1.624 -0.204 1.00 94.29 C +ATOM 41 C GLY A 7 -0.548 -3.000 -0.839 1.00 94.62 C +ATOM 42 O GLY A 7 -1.357 -3.845 -0.461 1.00 94.58 O +ATOM 43 N PRO A 8 0.315 -3.233 -1.814 1.00 95.32 N +ATOM 44 CA PRO A 8 0.328 -4.507 -2.515 1.00 94.86 C +ATOM 45 C PRO A 8 0.871 -5.639 -1.655 1.00 95.24 C +ATOM 46 O PRO A 8 1.691 -5.430 -0.766 1.00 94.18 O +ATOM 47 CB PRO A 8 1.210 -4.250 -3.733 1.00 93.81 C +ATOM 48 CG PRO A 8 2.118 -3.162 -3.280 1.00 92.46 C +ATOM 49 CD PRO A 8 1.289 -2.309 -2.352 1.00 94.23 C +HETATM 50 N HYP A 9 0.397 -6.861 -2.004 1.00 93.57 N +HETATM 51 CA HYP A 9 0.864 -8.033 -1.335 1.00 94.18 C +HETATM 52 C HYP A 9 2.340 -8.273 -1.689 1.00 95.07 C +HETATM 53 O HYP A 9 2.803 -7.849 -2.743 1.00 94.92 O +HETATM 54 CB HYP A 9 0.115 -9.215 -2.013 1.00 92.42 C +HETATM 55 CG HYP A 9 -1.068 -8.609 -2.669 1.00 90.84 C +HETATM 56 CD HYP A 9 -0.645 -7.207 -3.008 1.00 93.39 C +HETATM 57 OD1 HYP A 9 -2.104 -8.556 -1.709 1.00 90.67 O +ATOM 58 N GLY A 10 3.066 -8.991 -1.022 1.00 93.61 N +ATOM 59 CA GLY A 10 4.407 -9.348 -1.417 1.00 91.98 C +ATOM 60 C GLY A 10 4.978 -10.436 -0.540 1.00 91.49 C +ATOM 61 O GLY A 10 4.410 -10.812 0.482 1.00 89.67 O +ATOM 62 N ARG A 11 6.136 -10.931 -0.938 1.00 89.67 N +ATOM 63 CA ARG A 11 6.798 -11.994 -0.199 1.00 89.84 C +ATOM 64 C ARG A 11 7.209 -11.560 1.206 1.00 90.17 C +ATOM 65 O ARG A 11 7.490 -12.406 2.052 1.00 87.02 O +ATOM 66 CB ARG A 11 8.017 -12.490 -0.972 1.00 88.50 C +ATOM 67 CG ARG A 11 9.069 -11.398 -1.185 1.00 83.81 C +ATOM 68 CD ARG A 11 10.263 -11.923 -1.966 1.00 78.74 C +ATOM 69 NE ARG A 11 11.029 -12.900 -1.199 1.00 75.59 N +ATOM 70 CZ ARG A 11 12.041 -13.614 -1.675 1.00 71.02 C +ATOM 71 NH1 ARG A 11 12.408 -13.488 -2.929 1.00 68.11 N +ATOM 72 NH2 ARG A 11 12.678 -14.461 -0.897 1.00 65.91 N +ATOM 73 N LYS A 12 7.275 -10.256 1.431 1.00 90.00 N +ATOM 74 CA LYS A 12 7.708 -9.732 2.718 1.00 90.71 C +ATOM 75 C LYS A 12 6.553 -9.503 3.691 1.00 91.37 C +ATOM 76 O LYS A 12 6.786 -9.151 4.842 1.00 87.30 O +ATOM 77 CB LYS A 12 8.486 -8.429 2.510 1.00 87.04 C +ATOM 78 CG LYS A 12 9.742 -8.635 1.672 1.00 82.26 C +ATOM 79 CD LYS A 12 10.478 -7.342 1.396 1.00 77.55 C +ATOM 80 CE LYS A 12 11.165 -6.801 2.629 1.00 72.14 C +ATOM 81 NZ LYS A 12 12.002 -5.634 2.305 1.00 67.74 N +ATOM 82 N GLY A 13 5.321 -9.704 3.245 1.00 94.79 N +ATOM 83 CA GLY A 13 4.202 -9.529 4.140 1.00 94.24 C +ATOM 84 C GLY A 13 2.889 -9.280 3.438 1.00 94.93 C +ATOM 85 O GLY A 13 2.820 -9.268 2.209 1.00 94.61 O +ATOM 86 N PRO A 14 1.846 -9.092 4.224 1.00 95.62 N +ATOM 87 CA PRO A 14 0.515 -8.846 3.692 1.00 95.57 C +ATOM 88 C PRO A 14 0.396 -7.443 3.110 1.00 95.61 C +ATOM 89 O PRO A 14 1.345 -6.663 3.153 1.00 94.56 O +ATOM 90 CB PRO A 14 -0.389 -9.028 4.911 1.00 94.66 C +ATOM 91 CG PRO A 14 0.467 -8.596 6.045 1.00 93.12 C +ATOM 92 CD PRO A 14 1.846 -9.067 5.689 1.00 94.13 C +HETATM 93 N HYP A 15 -0.793 -7.167 2.594 1.00 94.29 N +HETATM 94 CA HYP A 15 -1.031 -5.847 2.063 1.00 93.87 C +HETATM 95 C HYP A 15 -0.685 -4.777 3.079 1.00 95.08 C +HETATM 96 O HYP A 15 -0.895 -4.992 4.302 1.00 94.98 O +HETATM 97 CB HYP A 15 -2.530 -5.835 1.763 1.00 92.20 C +HETATM 98 CG HYP A 15 -2.865 -7.286 1.542 1.00 90.90 C +HETATM 99 CD HYP A 15 -1.957 -8.011 2.546 1.00 93.13 C +HETATM 100 OD1 HYP A 15 -2.539 -7.643 0.249 1.00 91.92 O +ATOM 101 N GLY A 16 -0.164 -3.702 2.606 1.00 95.50 N +ATOM 102 CA GLY A 16 0.159 -2.608 3.476 1.00 94.85 C +ATOM 103 C GLY A 16 -1.095 -1.925 3.996 1.00 95.11 C +ATOM 104 O GLY A 16 -2.202 -2.223 3.547 1.00 94.99 O +ATOM 105 N PRO A 17 -0.920 -1.010 4.939 1.00 94.44 N +ATOM 106 CA PRO A 17 -2.054 -0.285 5.488 1.00 93.69 C +ATOM 107 C PRO A 17 -2.628 0.694 4.475 1.00 93.93 C +ATOM 108 O PRO A 17 -1.980 1.034 3.488 1.00 92.56 O +ATOM 109 CB PRO A 17 -1.464 0.435 6.695 1.00 92.59 C +ATOM 110 CG PRO A 17 -0.038 0.627 6.323 1.00 90.76 C +ATOM 111 CD PRO A 17 0.337 -0.594 5.533 1.00 92.42 C +HETATM 112 N HYP A 18 -3.861 1.131 4.727 1.00 91.07 N +HETATM 113 CA HYP A 18 -4.430 2.140 3.910 1.00 91.78 C +HETATM 114 C HYP A 18 -3.608 3.390 3.825 1.00 92.76 C +HETATM 115 O HYP A 18 -2.931 3.739 4.839 1.00 92.53 O +HETATM 116 CB HYP A 18 -5.796 2.385 4.589 1.00 90.35 C +HETATM 117 CG HYP A 18 -6.123 1.088 5.306 1.00 89.13 C +HETATM 118 CD HYP A 18 -4.756 0.630 5.754 1.00 92.39 C +HETATM 119 OD1 HYP A 18 -6.655 0.162 4.385 1.00 90.45 O +ATOM 120 N GLY A 19 -3.589 4.015 2.715 1.00 90.72 N +ATOM 121 CA GLY A 19 -2.852 5.237 2.550 1.00 89.85 C +ATOM 122 C GLY A 19 -3.442 6.350 3.391 1.00 90.11 C +ATOM 123 O GLY A 19 -4.507 6.199 3.987 1.00 90.75 O +ATOM 124 N PRO A 20 -2.749 7.478 3.451 1.00 92.30 N +ATOM 125 CA PRO A 20 -3.222 8.604 4.245 1.00 91.76 C +ATOM 126 C PRO A 20 -4.458 9.244 3.638 1.00 91.82 C +ATOM 127 O PRO A 20 -4.708 9.134 2.446 1.00 91.47 O +ATOM 128 CB PRO A 20 -2.038 9.563 4.235 1.00 89.99 C +ATOM 129 CG PRO A 20 -1.351 9.261 2.947 1.00 86.52 C +ATOM 130 CD PRO A 20 -1.503 7.776 2.769 1.00 88.79 C +HETATM 131 N HYP A 21 -5.209 9.883 4.497 1.00 89.36 N +HETATM 132 CA HYP A 21 -6.340 10.632 4.023 1.00 91.19 C +HETATM 133 C HYP A 21 -5.971 11.728 3.057 1.00 89.47 C +HETATM 134 O HYP A 21 -4.892 12.334 3.229 1.00 93.83 O +HETATM 135 CB HYP A 21 -6.932 11.246 5.320 1.00 89.69 C +HETATM 136 CG HYP A 21 -6.432 10.393 6.450 1.00 87.40 C +HETATM 137 CD HYP A 21 -5.078 9.964 5.964 1.00 92.03 C +HETATM 138 OD1 HYP A 21 -7.264 9.250 6.557 1.00 88.60 O +ATOM 139 N GLY A 22 -6.720 11.923 2.059 1.00 92.94 N +ATOM 140 CA GLY A 22 -6.493 13.021 1.163 1.00 90.87 C +ATOM 141 C GLY A 22 -6.921 14.320 1.830 1.00 91.12 C +ATOM 142 O GLY A 22 -7.521 14.308 2.904 1.00 90.53 O +ATOM 143 N PRO A 23 -6.641 15.462 1.209 1.00 95.30 N +ATOM 144 CA PRO A 23 -7.062 16.743 1.758 1.00 95.19 C +ATOM 145 C PRO A 23 -8.568 16.904 1.587 1.00 94.52 C +ATOM 146 O PRO A 23 -9.052 17.029 0.468 1.00 92.00 O +ATOM 147 CB PRO A 23 -6.277 17.763 0.943 1.00 93.50 C +ATOM 148 CG PRO A 23 -6.037 17.076 -0.358 1.00 90.45 C +ATOM 149 CD PRO A 23 -5.901 15.607 -0.025 1.00 93.41 C +HETATM 150 N HYP A 24 -9.321 16.729 2.624 1.00 95.59 N +HETATM 151 CA HYP A 24 -10.767 16.306 2.522 1.00 92.02 C +HETATM 152 C HYP A 24 -11.156 15.197 1.846 1.00 94.98 C +HETATM 153 O HYP A 24 -12.215 14.492 2.181 1.00 95.09 O +HETATM 154 CB HYP A 24 -11.466 16.980 3.655 1.00 92.82 C +HETATM 155 CG HYP A 24 -10.602 18.185 3.980 1.00 91.42 C +HETATM 156 CD HYP A 24 -9.166 17.717 3.597 1.00 93.74 C +HETATM 157 OD1 HYP A 24 -10.684 18.611 5.308 1.00 92.30 O +HETATM 158 OXT HYP A 24 -11.259 15.371 0.544 1.00 90.93 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_323.txt b/protein_pdb_323.txt new file mode 100644 index 0000000000000000000000000000000000000000..5dba34eea34a3da17c4900ad234f05d2a05e9a1c --- /dev/null +++ b/protein_pdb_323.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 7.196 -1.708 -13.381 1.00 90.04 N +ATOM 2 CA GLY A 1 7.023 -0.324 -12.982 1.00 92.51 C +ATOM 3 C GLY A 1 7.337 -0.138 -11.522 1.00 94.10 C +ATOM 4 O GLY A 1 7.680 -1.086 -10.820 1.00 92.54 O +ATOM 5 N PRO A 2 7.205 1.090 -10.975 1.00 91.04 N +ATOM 6 CA PRO A 2 7.496 1.380 -9.573 1.00 92.05 C +ATOM 7 C PRO A 2 6.469 0.766 -8.635 1.00 92.23 C +ATOM 8 O PRO A 2 5.373 0.394 -9.047 1.00 90.86 O +ATOM 9 CB PRO A 2 7.459 2.900 -9.510 1.00 89.51 C +ATOM 10 CG PRO A 2 6.567 3.291 -10.628 1.00 86.63 C +ATOM 11 CD PRO A 2 6.781 2.279 -11.706 1.00 88.75 C +HETATM 12 N HYP A 3 6.859 0.662 -7.409 1.00 91.75 N +HETATM 13 CA HYP A 3 5.923 0.191 -6.381 1.00 89.68 C +HETATM 14 C HYP A 3 4.728 1.078 -6.298 1.00 91.38 C +HETATM 15 O HYP A 3 4.815 2.294 -6.554 1.00 92.36 O +HETATM 16 CB HYP A 3 6.775 0.260 -5.103 1.00 89.14 C +HETATM 17 CG HYP A 3 8.202 0.047 -5.595 1.00 84.83 C +HETATM 18 CD HYP A 3 8.194 0.854 -6.910 1.00 87.68 C +HETATM 19 OD1 HYP A 3 8.397 -1.312 -5.858 1.00 89.75 O +ATOM 20 N GLY A 4 3.596 0.452 -6.005 1.00 94.81 N +ATOM 21 CA GLY A 4 2.382 1.202 -5.834 1.00 94.47 C +ATOM 22 C GLY A 4 2.440 2.093 -4.611 1.00 95.20 C +ATOM 23 O GLY A 4 3.360 1.999 -3.790 1.00 95.57 O +ATOM 24 N PRO A 5 1.460 2.968 -4.471 1.00 94.94 N +ATOM 25 CA PRO A 5 1.423 3.869 -3.324 1.00 95.09 C +ATOM 26 C PRO A 5 1.096 3.126 -2.038 1.00 94.90 C +ATOM 27 O PRO A 5 0.587 2.014 -2.059 1.00 94.20 O +ATOM 28 CB PRO A 5 0.328 4.865 -3.693 1.00 93.95 C +ATOM 29 CG PRO A 5 -0.577 4.092 -4.584 1.00 91.99 C +ATOM 30 CD PRO A 5 0.307 3.163 -5.357 1.00 93.95 C +HETATM 31 N HYP A 6 1.406 3.775 -0.923 1.00 93.06 N +HETATM 32 CA HYP A 6 1.053 3.223 0.351 1.00 94.15 C +HETATM 33 C HYP A 6 -0.420 3.022 0.508 1.00 93.95 C +HETATM 34 O HYP A 6 -1.218 3.814 -0.044 1.00 94.22 O +HETATM 35 CB HYP A 6 1.566 4.301 1.339 1.00 92.03 C +HETATM 36 CG HYP A 6 2.683 4.975 0.584 1.00 90.82 C +HETATM 37 CD HYP A 6 2.136 5.014 -0.833 1.00 93.11 C +HETATM 38 OD1 HYP A 6 3.836 4.157 0.627 1.00 90.86 O +ATOM 39 N GLY A 7 -0.794 1.972 1.173 1.00 95.43 N +ATOM 40 CA GLY A 7 -2.183 1.723 1.440 1.00 95.35 C +ATOM 41 C GLY A 7 -2.768 2.772 2.366 1.00 96.04 C +ATOM 42 O GLY A 7 -2.056 3.602 2.931 1.00 96.13 O +ATOM 43 N PRO A 8 -4.071 2.742 2.528 1.00 95.90 N +ATOM 44 CA PRO A 8 -4.724 3.701 3.402 1.00 95.85 C +ATOM 45 C PRO A 8 -4.440 3.394 4.872 1.00 96.02 C +ATOM 46 O PRO A 8 -4.037 2.294 5.225 1.00 94.88 O +ATOM 47 CB PRO A 8 -6.204 3.523 3.080 1.00 94.46 C +ATOM 48 CG PRO A 8 -6.308 2.104 2.654 1.00 92.77 C +ATOM 49 CD PRO A 8 -5.022 1.809 1.926 1.00 94.78 C +HETATM 50 N HYP A 9 -4.674 4.392 5.709 1.00 93.09 N +HETATM 51 CA HYP A 9 -4.547 4.207 7.111 1.00 92.45 C +HETATM 52 C HYP A 9 -5.522 3.195 7.614 1.00 94.28 C +HETATM 53 O HYP A 9 -6.642 3.082 7.106 1.00 93.99 O +HETATM 54 CB HYP A 9 -4.840 5.597 7.705 1.00 90.93 C +HETATM 55 CG HYP A 9 -4.559 6.550 6.602 1.00 90.52 C +HETATM 56 CD HYP A 9 -4.948 5.806 5.367 1.00 92.76 C +HETATM 57 OD1 HYP A 9 -3.169 6.805 6.546 1.00 90.99 O +ATOM 58 N GLY A 10 -5.170 2.405 8.600 1.00 94.85 N +ATOM 59 CA GLY A 10 -6.132 1.607 9.328 1.00 93.89 C +ATOM 60 C GLY A 10 -7.065 2.534 10.083 1.00 94.44 C +ATOM 61 O GLY A 10 -6.940 3.755 10.020 1.00 93.58 O +ATOM 62 N GLU A 11 -8.009 1.950 10.824 1.00 93.07 N +ATOM 63 CA GLU A 11 -8.971 2.836 11.479 1.00 94.26 C +ATOM 64 C GLU A 11 -8.287 3.846 12.407 1.00 94.21 C +ATOM 65 O GLU A 11 -8.745 4.975 12.520 1.00 90.98 O +ATOM 66 CB GLU A 11 -10.083 2.044 12.167 1.00 92.08 C +ATOM 67 CG GLU A 11 -9.682 1.227 13.360 1.00 85.30 C +ATOM 68 CD GLU A 11 -10.874 0.494 13.984 1.00 78.48 C +ATOM 69 OE1 GLU A 11 -11.822 0.148 13.258 1.00 73.89 O +ATOM 70 OE2 GLU A 11 -10.852 0.274 15.207 1.00 74.38 O +ATOM 71 N ASN A 12 -7.187 3.453 13.016 1.00 94.52 N +ATOM 72 CA ASN A 12 -6.346 4.392 13.768 1.00 95.73 C +ATOM 73 C ASN A 12 -4.867 4.062 13.597 1.00 95.89 C +ATOM 74 O ASN A 12 -4.060 4.391 14.459 1.00 93.16 O +ATOM 75 CB ASN A 12 -6.715 4.384 15.262 1.00 93.71 C +ATOM 76 CG ASN A 12 -8.076 4.990 15.528 1.00 89.04 C +ATOM 77 OD1 ASN A 12 -9.023 4.287 15.853 1.00 87.16 O +ATOM 78 ND2 ASN A 12 -8.186 6.302 15.384 1.00 81.82 N +ATOM 79 N GLY A 13 -4.515 3.431 12.504 1.00 95.81 N +ATOM 80 CA GLY A 13 -3.184 2.890 12.346 1.00 95.41 C +ATOM 81 C GLY A 13 -2.408 3.511 11.212 1.00 96.13 C +ATOM 82 O GLY A 13 -2.888 4.413 10.530 1.00 95.66 O +ATOM 83 N PRO A 14 -1.196 3.031 11.020 1.00 95.90 N +ATOM 84 CA PRO A 14 -0.342 3.550 9.961 1.00 95.86 C +ATOM 85 C PRO A 14 -0.852 3.138 8.591 1.00 95.81 C +ATOM 86 O PRO A 14 -1.686 2.250 8.454 1.00 94.55 O +ATOM 87 CB PRO A 14 1.014 2.914 10.253 1.00 94.38 C +ATOM 88 CG PRO A 14 0.674 1.636 10.934 1.00 93.09 C +ATOM 89 CD PRO A 14 -0.551 1.933 11.750 1.00 94.86 C +HETATM 90 N HYP A 15 -0.302 3.817 7.609 1.00 95.57 N +HETATM 91 CA HYP A 15 -0.585 3.447 6.239 1.00 95.17 C +HETATM 92 C HYP A 15 -0.157 2.046 5.934 1.00 96.38 C +HETATM 93 O HYP A 15 0.806 1.545 6.548 1.00 95.26 O +HETATM 94 CB HYP A 15 0.227 4.499 5.458 1.00 92.70 C +HETATM 95 CG HYP A 15 0.343 5.682 6.401 1.00 91.23 C +HETATM 96 CD HYP A 15 0.500 5.017 7.750 1.00 93.66 C +HETATM 97 OD1 HYP A 15 -0.832 6.425 6.377 1.00 91.70 O +ATOM 98 N GLY A 16 -0.872 1.405 5.047 1.00 96.74 N +ATOM 99 CA GLY A 16 -0.479 0.096 4.610 1.00 96.67 C +ATOM 100 C GLY A 16 0.824 0.135 3.834 1.00 97.01 C +ATOM 101 O GLY A 16 1.338 1.205 3.503 1.00 96.76 O +ATOM 102 N PRO A 17 1.359 -1.046 3.538 1.00 94.63 N +ATOM 103 CA PRO A 17 2.608 -1.116 2.802 1.00 94.85 C +ATOM 104 C PRO A 17 2.425 -0.692 1.357 1.00 95.12 C +ATOM 105 O PRO A 17 1.316 -0.663 0.833 1.00 93.87 O +ATOM 106 CB PRO A 17 3.002 -2.586 2.910 1.00 93.50 C +ATOM 107 CG PRO A 17 1.705 -3.292 3.071 1.00 91.77 C +ATOM 108 CD PRO A 17 0.827 -2.367 3.862 1.00 94.03 C +HETATM 109 N HYP A 18 3.544 -0.370 0.711 1.00 93.27 N +HETATM 110 CA HYP A 18 3.521 -0.078 -0.677 1.00 93.95 C +HETATM 111 C HYP A 18 2.995 -1.207 -1.492 1.00 94.36 C +HETATM 112 O HYP A 18 3.168 -2.394 -1.117 1.00 93.80 O +HETATM 113 CB HYP A 18 5.026 0.163 -1.006 1.00 90.75 C +HETATM 114 CG HYP A 18 5.615 0.611 0.298 1.00 90.22 C +HETATM 115 CD HYP A 18 4.854 -0.240 1.306 1.00 93.42 C +HETATM 116 OD1 HYP A 18 5.312 1.978 0.529 1.00 91.13 O +ATOM 117 N GLY A 19 2.311 -0.905 -2.560 1.00 94.33 N +ATOM 118 CA GLY A 19 1.840 -1.906 -3.470 1.00 94.38 C +ATOM 119 C GLY A 19 2.991 -2.578 -4.194 1.00 95.00 C +ATOM 120 O GLY A 19 4.133 -2.133 -4.138 1.00 95.32 O +ATOM 121 N PRO A 20 2.687 -3.669 -4.880 1.00 91.13 N +ATOM 122 CA PRO A 20 3.716 -4.384 -5.610 1.00 91.96 C +ATOM 123 C PRO A 20 4.168 -3.596 -6.833 1.00 91.81 C +ATOM 124 O PRO A 20 3.508 -2.660 -7.270 1.00 92.12 O +ATOM 125 CB PRO A 20 3.018 -5.684 -6.011 1.00 90.22 C +ATOM 126 CG PRO A 20 1.577 -5.308 -6.084 1.00 87.83 C +ATOM 127 CD PRO A 20 1.368 -4.273 -5.021 1.00 90.28 C +HETATM 128 N HYP A 21 5.332 -3.995 -7.357 1.00 91.65 N +HETATM 129 CA HYP A 21 5.807 -3.399 -8.571 1.00 90.66 C +HETATM 130 C HYP A 21 4.825 -3.493 -9.705 1.00 92.07 C +HETATM 131 O HYP A 21 4.101 -4.489 -9.799 1.00 94.01 O +HETATM 132 CB HYP A 21 7.102 -4.162 -8.880 1.00 89.52 C +HETATM 133 CG HYP A 21 7.573 -4.643 -7.537 1.00 86.86 C +HETATM 134 CD HYP A 21 6.281 -4.974 -6.804 1.00 91.86 C +HETATM 135 OD1 HYP A 21 8.206 -3.571 -6.842 1.00 88.74 O +ATOM 136 N GLY A 22 4.727 -2.446 -10.499 1.00 90.90 N +ATOM 137 CA GLY A 22 3.869 -2.447 -11.646 1.00 89.49 C +ATOM 138 C GLY A 22 4.379 -3.397 -12.717 1.00 89.92 C +ATOM 139 O GLY A 22 5.435 -4.016 -12.573 1.00 90.30 O +ATOM 140 N PRO A 23 3.635 -3.517 -13.808 1.00 93.91 N +ATOM 141 CA PRO A 23 4.037 -4.417 -14.882 1.00 93.69 C +ATOM 142 C PRO A 23 5.309 -3.940 -15.556 1.00 92.72 C +ATOM 143 O PRO A 23 5.679 -2.775 -15.471 1.00 89.56 O +ATOM 144 CB PRO A 23 2.849 -4.399 -15.828 1.00 91.03 C +ATOM 145 CG PRO A 23 2.213 -3.079 -15.582 1.00 89.10 C +ATOM 146 CD PRO A 23 2.417 -2.799 -14.121 1.00 91.92 C +HETATM 147 N HYP A 24 5.986 -4.748 -16.194 1.00 93.86 N +HETATM 148 CA HYP A 24 7.245 -4.389 -16.842 1.00 85.13 C +HETATM 149 C HYP A 24 7.371 -2.962 -17.185 1.00 91.49 C +HETATM 150 O HYP A 24 7.222 -2.550 -18.334 1.00 86.96 O +HETATM 151 CB HYP A 24 7.442 -5.316 -17.982 1.00 88.28 C +HETATM 152 CG HYP A 24 6.424 -6.404 -17.814 1.00 87.43 C +HETATM 153 CD HYP A 24 5.411 -5.905 -16.788 1.00 91.58 C +HETATM 154 OD1 HYP A 24 7.043 -7.542 -17.236 1.00 86.12 O +HETATM 155 OXT HYP A 24 7.759 -2.196 -16.285 1.00 84.45 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_324.txt b/protein_pdb_324.txt new file mode 100644 index 0000000000000000000000000000000000000000..24d254906bbb13ce18814b5a09089630e48ebe02 --- /dev/null +++ b/protein_pdb_324.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 11.244 -9.607 -8.568 1.00 86.74 N +ATOM 2 CA GLY A 1 10.284 -8.726 -9.157 1.00 87.63 C +ATOM 3 C GLY A 1 10.103 -7.403 -8.442 1.00 88.93 C +ATOM 4 O GLY A 1 10.627 -7.204 -7.347 1.00 86.60 O +ATOM 5 N PRO A 2 9.375 -6.566 -9.022 1.00 86.44 N +ATOM 6 CA PRO A 2 9.119 -5.257 -8.453 1.00 87.68 C +ATOM 7 C PRO A 2 8.119 -5.318 -7.306 1.00 87.73 C +ATOM 8 O PRO A 2 7.461 -6.332 -7.098 1.00 84.61 O +ATOM 9 CB PRO A 2 8.559 -4.480 -9.633 1.00 83.94 C +ATOM 10 CG PRO A 2 7.867 -5.520 -10.438 1.00 80.43 C +ATOM 11 CD PRO A 2 8.714 -6.751 -10.312 1.00 82.11 C +HETATM 12 N HYP A 3 8.028 -4.212 -6.610 1.00 88.47 N +HETATM 13 CA HYP A 3 7.052 -4.146 -5.521 1.00 87.66 C +HETATM 14 C HYP A 3 5.629 -4.302 -6.020 1.00 90.08 C +HETATM 15 O HYP A 3 5.348 -3.961 -7.196 1.00 91.39 O +HETATM 16 CB HYP A 3 7.267 -2.692 -4.985 1.00 87.51 C +HETATM 17 CG HYP A 3 8.715 -2.371 -5.344 1.00 84.27 C +HETATM 18 CD HYP A 3 8.868 -3.065 -6.730 1.00 86.92 C +HETATM 19 OD1 HYP A 3 9.548 -2.984 -4.421 1.00 87.43 O +ATOM 20 N GLY A 4 4.816 -4.881 -5.210 1.00 90.70 N +ATOM 21 CA GLY A 4 3.433 -5.045 -5.557 1.00 89.95 C +ATOM 22 C GLY A 4 2.713 -3.714 -5.609 1.00 91.01 C +ATOM 23 O GLY A 4 3.267 -2.674 -5.251 1.00 90.53 O +ATOM 24 N PRO A 5 1.462 -3.731 -6.053 1.00 90.64 N +ATOM 25 CA PRO A 5 0.692 -2.499 -6.146 1.00 90.36 C +ATOM 26 C PRO A 5 0.328 -1.960 -4.770 1.00 90.04 C +ATOM 27 O PRO A 5 0.328 -2.685 -3.785 1.00 88.36 O +ATOM 28 CB PRO A 5 -0.551 -2.916 -6.922 1.00 88.25 C +ATOM 29 CG PRO A 5 -0.712 -4.358 -6.582 1.00 86.40 C +ATOM 30 CD PRO A 5 0.686 -4.896 -6.467 1.00 88.84 C +HETATM 31 N HYP A 6 0.048 -0.673 -4.738 1.00 90.68 N +HETATM 32 CA HYP A 6 -0.453 -0.076 -3.506 1.00 92.58 C +HETATM 33 C HYP A 6 -1.717 -0.736 -3.037 1.00 92.37 C +HETATM 34 O HYP A 6 -2.500 -1.271 -3.851 1.00 91.23 O +HETATM 35 CB HYP A 6 -0.733 1.381 -3.981 1.00 87.03 C +HETATM 36 CG HYP A 6 0.227 1.595 -5.142 1.00 85.53 C +HETATM 37 CD HYP A 6 0.213 0.247 -5.836 1.00 89.56 C +HETATM 38 OD1 HYP A 6 1.520 1.854 -4.636 1.00 88.39 O +ATOM 39 N GLY A 7 -1.883 -0.792 -1.760 1.00 91.22 N +ATOM 40 CA GLY A 7 -3.081 -1.339 -1.190 1.00 89.95 C +ATOM 41 C GLY A 7 -4.290 -0.505 -1.555 1.00 90.50 C +ATOM 42 O GLY A 7 -4.171 0.588 -2.103 1.00 90.22 O +ATOM 43 N PRO A 8 -5.468 -1.025 -1.256 1.00 89.44 N +ATOM 44 CA PRO A 8 -6.686 -0.290 -1.580 1.00 89.15 C +ATOM 45 C PRO A 8 -6.834 0.952 -0.720 1.00 89.12 C +ATOM 46 O PRO A 8 -6.320 1.030 0.386 1.00 87.07 O +ATOM 47 CB PRO A 8 -7.796 -1.303 -1.312 1.00 86.25 C +ATOM 48 CG PRO A 8 -7.213 -2.234 -0.326 1.00 84.92 C +ATOM 49 CD PRO A 8 -5.741 -2.305 -0.625 1.00 86.78 C +HETATM 50 N HYP A 9 -7.569 1.930 -1.250 1.00 88.97 N +HETATM 51 CA HYP A 9 -7.840 3.126 -0.531 1.00 87.77 C +HETATM 52 C HYP A 9 -8.687 2.853 0.693 1.00 89.38 C +HETATM 53 O HYP A 9 -9.575 1.975 0.665 1.00 88.98 O +HETATM 54 CB HYP A 9 -8.699 3.951 -1.545 1.00 81.57 C +HETATM 55 CG HYP A 9 -8.414 3.376 -2.873 1.00 82.33 C +HETATM 56 CD HYP A 9 -8.113 1.948 -2.627 1.00 87.28 C +HETATM 57 OD1 HYP A 9 -7.219 3.992 -3.374 1.00 83.97 O +ATOM 58 N GLY A 10 -8.444 3.490 1.765 1.00 89.11 N +ATOM 59 CA GLY A 10 -9.332 3.449 2.901 1.00 86.61 C +ATOM 60 C GLY A 10 -10.563 4.288 2.615 1.00 86.99 C +ATOM 61 O GLY A 10 -10.614 5.038 1.639 1.00 84.08 O +ATOM 62 N LEU A 11 -11.554 4.167 3.475 1.00 88.59 N +ATOM 63 CA LEU A 11 -12.762 4.975 3.296 1.00 90.31 C +ATOM 64 C LEU A 11 -12.434 6.461 3.287 1.00 90.07 C +ATOM 65 O LEU A 11 -13.036 7.228 2.542 1.00 88.00 O +ATOM 66 CB LEU A 11 -13.767 4.669 4.390 1.00 88.98 C +ATOM 67 CG LEU A 11 -14.460 3.313 4.287 1.00 83.91 C +ATOM 68 CD1 LEU A 11 -15.311 3.075 5.517 1.00 82.64 C +ATOM 69 CD2 LEU A 11 -15.310 3.231 3.028 1.00 78.56 C +ATOM 70 N CYS A 12 -11.490 6.846 4.126 1.00 87.30 N +ATOM 71 CA CYS A 12 -11.068 8.238 4.248 1.00 90.67 C +ATOM 72 C CYS A 12 -9.557 8.373 4.183 1.00 91.42 C +ATOM 73 O CYS A 12 -9.005 9.370 4.647 1.00 87.89 O +ATOM 74 CB CYS A 12 -11.569 8.830 5.573 1.00 87.27 C +ATOM 75 SG CYS A 12 -13.350 8.728 5.786 1.00 81.06 S +ATOM 76 N GLY A 13 -8.888 7.387 3.635 1.00 91.17 N +ATOM 77 CA GLY A 13 -7.448 7.352 3.698 1.00 90.84 C +ATOM 78 C GLY A 13 -6.777 7.016 2.394 1.00 91.91 C +ATOM 79 O GLY A 13 -7.424 6.625 1.423 1.00 91.91 O +ATOM 80 N PRO A 14 -5.470 7.170 2.376 1.00 92.21 N +ATOM 81 CA PRO A 14 -4.689 6.898 1.181 1.00 91.88 C +ATOM 82 C PRO A 14 -4.548 5.411 0.920 1.00 92.21 C +ATOM 83 O PRO A 14 -4.877 4.585 1.768 1.00 90.73 O +ATOM 84 CB PRO A 14 -3.331 7.521 1.505 1.00 90.08 C +ATOM 85 CG PRO A 14 -3.224 7.365 2.981 1.00 88.87 C +ATOM 86 CD PRO A 14 -4.622 7.579 3.499 1.00 89.77 C +HETATM 87 N HYP A 15 -4.059 5.144 -0.224 1.00 90.96 N +HETATM 88 CA HYP A 15 -3.752 3.762 -0.557 1.00 92.68 C +HETATM 89 C HYP A 15 -2.751 3.191 0.392 1.00 92.48 C +HETATM 90 O HYP A 15 -1.931 3.935 0.991 1.00 92.11 O +HETATM 91 CB HYP A 15 -3.124 3.946 -1.971 1.00 88.22 C +HETATM 92 CG HYP A 15 -3.712 5.236 -2.513 1.00 86.92 C +HETATM 93 CD HYP A 15 -3.777 6.108 -1.291 1.00 90.38 C +HETATM 94 OD1 HYP A 15 -5.004 5.000 -3.004 1.00 88.61 O +ATOM 95 N GLY A 16 -2.809 1.923 0.569 1.00 93.71 N +ATOM 96 CA GLY A 16 -1.824 1.262 1.375 1.00 93.15 C +ATOM 97 C GLY A 16 -0.468 1.277 0.702 1.00 93.53 C +ATOM 98 O GLY A 16 -0.334 1.702 -0.450 1.00 93.04 O +ATOM 99 N PRO A 17 0.543 0.810 1.422 1.00 91.60 N +ATOM 100 CA PRO A 17 1.880 0.787 0.854 1.00 91.08 C +ATOM 101 C PRO A 17 2.003 -0.256 -0.245 1.00 91.62 C +ATOM 102 O PRO A 17 1.188 -1.165 -0.339 1.00 89.88 O +ATOM 103 CB PRO A 17 2.762 0.447 2.055 1.00 89.27 C +ATOM 104 CG PRO A 17 1.866 -0.330 2.944 1.00 87.92 C +ATOM 105 CD PRO A 17 0.506 0.278 2.775 1.00 89.20 C +HETATM 106 N HYP A 18 3.030 -0.083 -1.064 1.00 86.29 N +HETATM 107 CA HYP A 18 3.296 -1.081 -2.047 1.00 88.08 C +HETATM 108 C HYP A 18 3.556 -2.425 -1.441 1.00 88.65 C +HETATM 109 O HYP A 18 4.048 -2.516 -0.303 1.00 88.32 O +HETATM 110 CB HYP A 18 4.594 -0.511 -2.704 1.00 85.20 C +HETATM 111 CG HYP A 18 4.486 0.984 -2.518 1.00 83.05 C +HETATM 112 CD HYP A 18 3.881 1.085 -1.129 1.00 88.67 C +HETATM 113 OD1 HYP A 18 3.576 1.519 -3.459 1.00 86.41 O +ATOM 114 N GLY A 19 3.193 -3.435 -2.139 1.00 85.20 N +ATOM 115 CA GLY A 19 3.455 -4.776 -1.690 1.00 84.79 C +ATOM 116 C GLY A 19 4.938 -5.068 -1.681 1.00 85.01 C +ATOM 117 O GLY A 19 5.751 -4.267 -2.150 1.00 85.27 O +ATOM 118 N PRO A 20 5.298 -6.225 -1.155 1.00 84.01 N +ATOM 119 CA PRO A 20 6.703 -6.595 -1.110 1.00 84.15 C +ATOM 120 C PRO A 20 7.239 -6.901 -2.496 1.00 84.01 C +ATOM 121 O PRO A 20 6.476 -7.154 -3.422 1.00 84.13 O +ATOM 122 CB PRO A 20 6.709 -7.838 -0.223 1.00 82.07 C +ATOM 123 CG PRO A 20 5.354 -8.421 -0.426 1.00 79.98 C +ATOM 124 CD PRO A 20 4.432 -7.248 -0.601 1.00 81.80 C +HETATM 125 N HYP A 21 8.554 -6.830 -2.598 1.00 88.06 N +HETATM 126 CA HYP A 21 9.160 -7.211 -3.845 1.00 87.38 C +HETATM 127 C HYP A 21 8.794 -8.601 -4.276 1.00 86.26 C +HETATM 128 O HYP A 21 8.615 -9.475 -3.422 1.00 90.88 O +HETATM 129 CB HYP A 21 10.651 -7.069 -3.582 1.00 84.32 C +HETATM 130 CG HYP A 21 10.748 -6.073 -2.464 1.00 79.81 C +HETATM 131 CD HYP A 21 9.534 -6.372 -1.613 1.00 87.62 C +HETATM 132 OD1 HYP A 21 10.619 -4.756 -2.998 1.00 80.96 O +ATOM 133 N GLY A 22 8.580 -8.784 -5.542 1.00 85.81 N +ATOM 134 CA GLY A 22 8.302 -10.086 -6.076 1.00 82.76 C +ATOM 135 C GLY A 22 9.530 -10.972 -5.976 1.00 82.54 C +ATOM 136 O GLY A 22 10.613 -10.514 -5.620 1.00 82.21 O +ATOM 137 N PRO A 23 9.376 -12.250 -6.303 1.00 86.21 N +ATOM 138 CA PRO A 23 10.517 -13.152 -6.251 1.00 85.76 C +ATOM 139 C PRO A 23 11.499 -12.812 -7.358 1.00 83.93 C +ATOM 140 O PRO A 23 11.188 -12.964 -8.535 1.00 80.16 O +ATOM 141 CB PRO A 23 9.888 -14.532 -6.425 1.00 81.67 C +ATOM 142 CG PRO A 23 8.593 -14.282 -7.088 1.00 78.44 C +ATOM 143 CD PRO A 23 8.156 -12.898 -6.717 1.00 81.84 C +HETATM 144 N HYP A 24 12.551 -12.249 -7.099 1.00 91.27 N +HETATM 145 CA HYP A 24 13.423 -11.425 -8.042 1.00 86.02 C +HETATM 146 C HYP A 24 12.929 -10.348 -8.679 1.00 89.39 C +HETATM 147 O HYP A 24 13.413 -9.119 -8.664 1.00 90.33 O +HETATM 148 CB HYP A 24 14.729 -11.499 -7.350 1.00 83.75 C +HETATM 149 CG HYP A 24 14.698 -12.851 -6.606 1.00 84.57 C +HETATM 150 CD HYP A 24 13.232 -13.075 -6.244 1.00 88.46 C +HETATM 151 OD1 HYP A 24 15.485 -12.834 -5.436 1.00 86.29 O +HETATM 152 OXT HYP A 24 12.429 -10.578 -9.870 1.00 85.68 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_325.txt b/protein_pdb_325.txt new file mode 100644 index 0000000000000000000000000000000000000000..bf84dbb1a1841e24ca5f426127f7afe7b0b7545d --- /dev/null +++ b/protein_pdb_325.txt @@ -0,0 +1,150 @@ +ATOM 1 N GLY A 1 -16.151 -8.813 32.448 1.00 80.63 N +ATOM 2 CA GLY A 1 -15.833 -9.828 31.447 1.00 84.73 C +ATOM 3 C GLY A 1 -14.619 -9.433 30.637 1.00 85.33 C +ATOM 4 O GLY A 1 -14.163 -8.292 30.708 1.00 82.21 O +ATOM 5 N PRO A 2 -14.074 -10.348 29.860 1.00 78.23 N +ATOM 6 CA PRO A 2 -12.891 -10.043 29.054 1.00 84.65 C +ATOM 7 C PRO A 2 -13.222 -9.087 27.918 1.00 85.22 C +ATOM 8 O PRO A 2 -14.362 -9.001 27.475 1.00 83.77 O +ATOM 9 CB PRO A 2 -12.452 -11.411 28.519 1.00 81.76 C +ATOM 10 CG PRO A 2 -13.722 -12.190 28.470 1.00 78.14 C +ATOM 11 CD PRO A 2 -14.508 -11.737 29.680 1.00 79.15 C +HETATM 12 N HYP A 3 -12.293 -8.399 27.529 1.00 82.56 N +HETATM 13 CA HYP A 3 -12.415 -7.483 26.321 1.00 82.87 C +HETATM 14 C HYP A 3 -12.828 -8.274 25.105 1.00 75.35 C +HETATM 15 O HYP A 3 -12.493 -9.455 24.955 1.00 83.04 O +HETATM 16 CB HYP A 3 -10.990 -6.951 26.195 1.00 77.28 C +HETATM 17 CG HYP A 3 -10.352 -7.065 27.564 1.00 76.96 C +HETATM 18 CD HYP A 3 -10.961 -8.362 28.118 1.00 77.65 C +HETATM 19 OD1 HYP A 3 -10.731 -5.995 28.400 1.00 83.38 O +ATOM 20 N GLY A 4 -13.554 -7.600 24.217 1.00 89.74 N +ATOM 21 CA GLY A 4 -13.958 -8.218 22.978 1.00 89.27 C +ATOM 22 C GLY A 4 -12.770 -8.398 22.041 1.00 89.01 C +ATOM 23 O GLY A 4 -11.682 -7.868 22.291 1.00 87.47 O +ATOM 24 N PRO A 5 -12.973 -9.132 20.951 1.00 86.41 N +ATOM 25 CA PRO A 5 -11.876 -9.364 20.009 1.00 86.75 C +ATOM 26 C PRO A 5 -11.523 -8.092 19.246 1.00 85.94 C +ATOM 27 O PRO A 5 -12.332 -7.183 19.122 1.00 84.31 O +ATOM 28 CB PRO A 5 -12.429 -10.444 19.080 1.00 84.48 C +ATOM 29 CG PRO A 5 -13.898 -10.215 19.123 1.00 83.38 C +ATOM 30 CD PRO A 5 -14.190 -9.810 20.551 1.00 84.90 C +HETATM 31 N HYP A 6 -10.328 -8.048 18.773 1.00 87.87 N +HETATM 32 CA HYP A 6 -9.905 -6.907 17.890 1.00 88.65 C +HETATM 33 C HYP A 6 -10.719 -6.837 16.658 1.00 87.47 C +HETATM 34 O HYP A 6 -11.203 -7.861 16.149 1.00 87.56 O +HETATM 35 CB HYP A 6 -8.454 -7.273 17.584 1.00 84.97 C +HETATM 36 CG HYP A 6 -7.997 -8.123 18.753 1.00 82.53 C +HETATM 37 CD HYP A 6 -9.221 -8.913 19.086 1.00 87.28 C +HETATM 38 OD1 HYP A 6 -7.618 -7.315 19.841 1.00 83.71 O +ATOM 39 N GLY A 7 -10.916 -5.605 16.133 1.00 89.41 N +ATOM 40 CA GLY A 7 -11.649 -5.401 14.904 1.00 88.66 C +ATOM 41 C GLY A 7 -10.847 -5.879 13.704 1.00 89.73 C +ATOM 42 O GLY A 7 -9.675 -6.243 13.824 1.00 88.86 O +ATOM 43 N PRO A 8 -11.468 -5.873 12.528 1.00 84.51 N +ATOM 44 CA PRO A 8 -10.773 -6.323 11.319 1.00 84.88 C +ATOM 45 C PRO A 8 -9.713 -5.319 10.883 1.00 84.60 C +ATOM 46 O PRO A 8 -9.775 -4.144 11.219 1.00 81.87 O +ATOM 47 CB PRO A 8 -11.889 -6.443 10.292 1.00 82.14 C +ATOM 48 CG PRO A 8 -12.876 -5.418 10.743 1.00 83.12 C +ATOM 49 CD PRO A 8 -12.838 -5.476 12.252 1.00 83.99 C +HETATM 50 N HYP A 9 -8.770 -5.760 10.132 1.00 85.88 N +HETATM 51 CA HYP A 9 -7.738 -4.888 9.552 1.00 84.39 C +HETATM 52 C HYP A 9 -8.321 -3.908 8.622 1.00 85.06 C +HETATM 53 O HYP A 9 -9.294 -4.199 7.908 1.00 83.42 O +HETATM 54 CB HYP A 9 -6.832 -5.891 8.807 1.00 84.02 C +HETATM 55 CG HYP A 9 -7.003 -7.169 9.556 1.00 79.96 C +HETATM 56 CD HYP A 9 -8.458 -7.142 9.912 1.00 85.20 C +HETATM 57 OD1 HYP A 9 -6.219 -7.172 10.716 1.00 83.04 O +ATOM 58 N GLY A 10 -7.740 -2.682 8.538 1.00 87.85 N +ATOM 59 CA GLY A 10 -8.208 -1.651 7.642 1.00 86.34 C +ATOM 60 C GLY A 10 -7.996 -2.039 6.189 1.00 86.51 C +ATOM 61 O GLY A 10 -7.189 -2.916 5.866 1.00 84.65 O +ATOM 62 N ALA A 11 -8.724 -1.378 5.318 1.00 83.84 N +ATOM 63 CA ALA A 11 -8.594 -1.625 3.891 1.00 83.98 C +ATOM 64 C ALA A 11 -7.238 -1.138 3.394 1.00 83.12 C +ATOM 65 O ALA A 11 -6.647 -0.212 3.953 1.00 79.72 O +ATOM 66 CB ALA A 11 -9.710 -0.924 3.137 1.00 80.50 C +ATOM 67 N ALA A 12 -6.751 -1.763 2.324 1.00 79.10 N +ATOM 68 CA ALA A 12 -5.489 -1.349 1.734 1.00 78.80 C +ATOM 69 C ALA A 12 -5.611 0.083 1.231 1.00 78.56 C +ATOM 70 O ALA A 12 -6.676 0.507 0.779 1.00 73.40 O +ATOM 71 CB ALA A 12 -5.104 -2.276 0.585 1.00 75.25 C +ATOM 72 N GLY A 13 -4.527 0.822 1.331 1.00 83.78 N +ATOM 73 CA GLY A 13 -4.526 2.196 0.871 1.00 82.27 C +ATOM 74 C GLY A 13 -4.577 2.293 -0.642 1.00 83.21 C +ATOM 75 O GLY A 13 -4.451 1.285 -1.342 1.00 83.69 O +ATOM 76 N PRO A 14 -4.759 3.507 -1.180 1.00 77.90 N +ATOM 77 CA PRO A 14 -4.824 3.698 -2.624 1.00 79.88 C +ATOM 78 C PRO A 14 -3.452 3.526 -3.268 1.00 79.91 C +ATOM 79 O PRO A 14 -2.428 3.589 -2.597 1.00 79.36 O +ATOM 80 CB PRO A 14 -5.331 5.131 -2.769 1.00 77.90 C +ATOM 81 CG PRO A 14 -4.814 5.804 -1.549 1.00 77.33 C +ATOM 82 CD PRO A 14 -4.935 4.770 -0.459 1.00 76.84 C +HETATM 83 N HYP A 15 -3.428 3.320 -4.598 1.00 74.58 N +HETATM 84 CA HYP A 15 -2.184 3.251 -5.341 1.00 72.87 C +HETATM 85 C HYP A 15 -1.354 4.498 -5.219 1.00 71.48 C +HETATM 86 O HYP A 15 -1.925 5.590 -5.044 1.00 76.00 O +HETATM 87 CB HYP A 15 -2.692 3.077 -6.777 1.00 72.35 C +HETATM 88 CG HYP A 15 -4.040 2.409 -6.615 1.00 73.84 C +HETATM 89 CD HYP A 15 -4.579 3.041 -5.389 1.00 78.59 C +HETATM 90 OD1 HYP A 15 -3.919 1.039 -6.416 1.00 79.37 O +ATOM 91 N GLY A 16 -0.065 4.371 -5.199 1.00 88.90 N +ATOM 92 CA GLY A 16 0.802 5.512 -5.123 1.00 87.56 C +ATOM 93 C GLY A 16 0.747 6.334 -6.399 1.00 88.33 C +ATOM 94 O GLY A 16 0.154 5.906 -7.399 1.00 87.63 O +ATOM 95 N PRO A 17 1.373 7.516 -6.397 1.00 74.01 N +ATOM 96 CA PRO A 17 1.365 8.369 -7.584 1.00 74.59 C +ATOM 97 C PRO A 17 2.232 7.782 -8.695 1.00 73.93 C +ATOM 98 O PRO A 17 3.112 6.961 -8.444 1.00 74.42 O +ATOM 99 CB PRO A 17 1.925 9.690 -7.073 1.00 73.61 C +ATOM 100 CG PRO A 17 2.806 9.287 -5.941 1.00 72.25 C +ATOM 101 CD PRO A 17 2.090 8.131 -5.286 1.00 69.83 C +HETATM 102 N HYP A 18 2.007 8.186 -9.941 1.00 78.37 N +HETATM 103 CA HYP A 18 2.836 7.811 -11.055 1.00 82.56 C +HETATM 104 C HYP A 18 4.262 8.231 -10.914 1.00 74.49 C +HETATM 105 O HYP A 18 4.553 9.273 -10.294 1.00 82.21 O +HETATM 106 CB HYP A 18 2.168 8.513 -12.230 1.00 77.34 C +HETATM 107 CG HYP A 18 0.729 8.640 -11.841 1.00 78.41 C +HETATM 108 CD HYP A 18 0.827 8.884 -10.366 1.00 80.53 C +HETATM 109 OD1 HYP A 18 0.012 7.462 -12.073 1.00 84.01 O +ATOM 110 N GLY A 19 5.188 7.434 -11.394 1.00 83.42 N +ATOM 111 CA GLY A 19 6.588 7.749 -11.336 1.00 81.45 C +ATOM 112 C GLY A 19 6.918 8.917 -12.250 1.00 81.84 C +ATOM 113 O GLY A 19 6.070 9.373 -13.025 1.00 81.03 O +ATOM 114 N PRO A 20 8.154 9.398 -12.197 1.00 75.20 N +ATOM 115 CA PRO A 20 8.557 10.518 -13.041 1.00 76.07 C +ATOM 116 C PRO A 20 8.708 10.090 -14.497 1.00 75.71 C +ATOM 117 O PRO A 20 8.862 8.910 -14.793 1.00 74.12 O +ATOM 118 CB PRO A 20 9.892 10.948 -12.432 1.00 73.38 C +ATOM 119 CG PRO A 20 10.434 9.682 -11.872 1.00 72.19 C +ATOM 120 CD PRO A 20 9.229 8.947 -11.321 1.00 71.93 C +HETATM 121 N HYP A 21 8.689 11.021 -15.433 1.00 86.17 N +HETATM 122 CA HYP A 21 8.922 10.775 -16.822 1.00 82.76 C +HETATM 123 C HYP A 21 10.284 10.210 -17.108 1.00 85.75 C +HETATM 124 O HYP A 21 11.250 10.551 -16.406 1.00 85.87 O +HETATM 125 CB HYP A 21 8.826 12.164 -17.461 1.00 84.58 C +HETATM 126 CG HYP A 21 7.940 12.944 -16.531 1.00 82.07 C +HETATM 127 CD HYP A 21 8.308 12.394 -15.195 1.00 84.22 C +HETATM 128 OD1 HYP A 21 6.566 12.683 -16.784 1.00 83.55 O +ATOM 129 N GLY A 22 10.421 9.314 -18.056 1.00 82.31 N +ATOM 130 CA GLY A 22 11.691 8.762 -18.433 1.00 81.29 C +ATOM 131 C GLY A 22 12.556 9.824 -19.096 1.00 81.04 C +ATOM 132 O GLY A 22 12.101 10.946 -19.343 1.00 79.06 O +ATOM 133 N PRO A 23 13.805 9.493 -19.441 1.00 82.63 N +ATOM 134 CA PRO A 23 14.693 10.465 -20.075 1.00 84.95 C +ATOM 135 C PRO A 23 14.234 10.779 -21.485 1.00 83.62 C +ATOM 136 O PRO A 23 13.583 9.961 -22.139 1.00 79.31 O +ATOM 137 CB PRO A 23 16.056 9.781 -20.042 1.00 80.15 C +ATOM 138 CG PRO A 23 15.722 8.331 -20.050 1.00 75.46 C +ATOM 139 CD PRO A 23 14.468 8.209 -19.218 1.00 76.92 C +HETATM 140 N HYP A 24 14.619 11.933 -22.059 1.00 85.26 N +HETATM 141 CA HYP A 24 14.160 12.248 -23.415 1.00 85.04 C +HETATM 142 C HYP A 24 14.981 11.389 -24.418 1.00 81.75 C +HETATM 143 O HYP A 24 14.680 11.402 -25.558 1.00 84.63 O +HETATM 144 CB HYP A 24 14.720 13.721 -23.591 1.00 86.28 C +HETATM 145 CG HYP A 24 14.959 14.261 -22.235 1.00 83.81 C +HETATM 146 CD HYP A 24 15.281 13.023 -21.404 1.00 85.70 C +HETATM 147 OD1 HYP A 24 13.764 14.827 -21.738 1.00 79.78 O +HETATM 148 OXT HYP A 24 15.907 10.724 -23.990 1.00 79.75 O +TER 149 HYP A 24 +END diff --git a/protein_pdb_326.txt b/protein_pdb_326.txt new file mode 100644 index 0000000000000000000000000000000000000000..bf84dbb1a1841e24ca5f426127f7afe7b0b7545d --- /dev/null +++ b/protein_pdb_326.txt @@ -0,0 +1,150 @@ +ATOM 1 N GLY A 1 -16.151 -8.813 32.448 1.00 80.63 N +ATOM 2 CA GLY A 1 -15.833 -9.828 31.447 1.00 84.73 C +ATOM 3 C GLY A 1 -14.619 -9.433 30.637 1.00 85.33 C +ATOM 4 O GLY A 1 -14.163 -8.292 30.708 1.00 82.21 O +ATOM 5 N PRO A 2 -14.074 -10.348 29.860 1.00 78.23 N +ATOM 6 CA PRO A 2 -12.891 -10.043 29.054 1.00 84.65 C +ATOM 7 C PRO A 2 -13.222 -9.087 27.918 1.00 85.22 C +ATOM 8 O PRO A 2 -14.362 -9.001 27.475 1.00 83.77 O +ATOM 9 CB PRO A 2 -12.452 -11.411 28.519 1.00 81.76 C +ATOM 10 CG PRO A 2 -13.722 -12.190 28.470 1.00 78.14 C +ATOM 11 CD PRO A 2 -14.508 -11.737 29.680 1.00 79.15 C +HETATM 12 N HYP A 3 -12.293 -8.399 27.529 1.00 82.56 N +HETATM 13 CA HYP A 3 -12.415 -7.483 26.321 1.00 82.87 C +HETATM 14 C HYP A 3 -12.828 -8.274 25.105 1.00 75.35 C +HETATM 15 O HYP A 3 -12.493 -9.455 24.955 1.00 83.04 O +HETATM 16 CB HYP A 3 -10.990 -6.951 26.195 1.00 77.28 C +HETATM 17 CG HYP A 3 -10.352 -7.065 27.564 1.00 76.96 C +HETATM 18 CD HYP A 3 -10.961 -8.362 28.118 1.00 77.65 C +HETATM 19 OD1 HYP A 3 -10.731 -5.995 28.400 1.00 83.38 O +ATOM 20 N GLY A 4 -13.554 -7.600 24.217 1.00 89.74 N +ATOM 21 CA GLY A 4 -13.958 -8.218 22.978 1.00 89.27 C +ATOM 22 C GLY A 4 -12.770 -8.398 22.041 1.00 89.01 C +ATOM 23 O GLY A 4 -11.682 -7.868 22.291 1.00 87.47 O +ATOM 24 N PRO A 5 -12.973 -9.132 20.951 1.00 86.41 N +ATOM 25 CA PRO A 5 -11.876 -9.364 20.009 1.00 86.75 C +ATOM 26 C PRO A 5 -11.523 -8.092 19.246 1.00 85.94 C +ATOM 27 O PRO A 5 -12.332 -7.183 19.122 1.00 84.31 O +ATOM 28 CB PRO A 5 -12.429 -10.444 19.080 1.00 84.48 C +ATOM 29 CG PRO A 5 -13.898 -10.215 19.123 1.00 83.38 C +ATOM 30 CD PRO A 5 -14.190 -9.810 20.551 1.00 84.90 C +HETATM 31 N HYP A 6 -10.328 -8.048 18.773 1.00 87.87 N +HETATM 32 CA HYP A 6 -9.905 -6.907 17.890 1.00 88.65 C +HETATM 33 C HYP A 6 -10.719 -6.837 16.658 1.00 87.47 C +HETATM 34 O HYP A 6 -11.203 -7.861 16.149 1.00 87.56 O +HETATM 35 CB HYP A 6 -8.454 -7.273 17.584 1.00 84.97 C +HETATM 36 CG HYP A 6 -7.997 -8.123 18.753 1.00 82.53 C +HETATM 37 CD HYP A 6 -9.221 -8.913 19.086 1.00 87.28 C +HETATM 38 OD1 HYP A 6 -7.618 -7.315 19.841 1.00 83.71 O +ATOM 39 N GLY A 7 -10.916 -5.605 16.133 1.00 89.41 N +ATOM 40 CA GLY A 7 -11.649 -5.401 14.904 1.00 88.66 C +ATOM 41 C GLY A 7 -10.847 -5.879 13.704 1.00 89.73 C +ATOM 42 O GLY A 7 -9.675 -6.243 13.824 1.00 88.86 O +ATOM 43 N PRO A 8 -11.468 -5.873 12.528 1.00 84.51 N +ATOM 44 CA PRO A 8 -10.773 -6.323 11.319 1.00 84.88 C +ATOM 45 C PRO A 8 -9.713 -5.319 10.883 1.00 84.60 C +ATOM 46 O PRO A 8 -9.775 -4.144 11.219 1.00 81.87 O +ATOM 47 CB PRO A 8 -11.889 -6.443 10.292 1.00 82.14 C +ATOM 48 CG PRO A 8 -12.876 -5.418 10.743 1.00 83.12 C +ATOM 49 CD PRO A 8 -12.838 -5.476 12.252 1.00 83.99 C +HETATM 50 N HYP A 9 -8.770 -5.760 10.132 1.00 85.88 N +HETATM 51 CA HYP A 9 -7.738 -4.888 9.552 1.00 84.39 C +HETATM 52 C HYP A 9 -8.321 -3.908 8.622 1.00 85.06 C +HETATM 53 O HYP A 9 -9.294 -4.199 7.908 1.00 83.42 O +HETATM 54 CB HYP A 9 -6.832 -5.891 8.807 1.00 84.02 C +HETATM 55 CG HYP A 9 -7.003 -7.169 9.556 1.00 79.96 C +HETATM 56 CD HYP A 9 -8.458 -7.142 9.912 1.00 85.20 C +HETATM 57 OD1 HYP A 9 -6.219 -7.172 10.716 1.00 83.04 O +ATOM 58 N GLY A 10 -7.740 -2.682 8.538 1.00 87.85 N +ATOM 59 CA GLY A 10 -8.208 -1.651 7.642 1.00 86.34 C +ATOM 60 C GLY A 10 -7.996 -2.039 6.189 1.00 86.51 C +ATOM 61 O GLY A 10 -7.189 -2.916 5.866 1.00 84.65 O +ATOM 62 N ALA A 11 -8.724 -1.378 5.318 1.00 83.84 N +ATOM 63 CA ALA A 11 -8.594 -1.625 3.891 1.00 83.98 C +ATOM 64 C ALA A 11 -7.238 -1.138 3.394 1.00 83.12 C +ATOM 65 O ALA A 11 -6.647 -0.212 3.953 1.00 79.72 O +ATOM 66 CB ALA A 11 -9.710 -0.924 3.137 1.00 80.50 C +ATOM 67 N ALA A 12 -6.751 -1.763 2.324 1.00 79.10 N +ATOM 68 CA ALA A 12 -5.489 -1.349 1.734 1.00 78.80 C +ATOM 69 C ALA A 12 -5.611 0.083 1.231 1.00 78.56 C +ATOM 70 O ALA A 12 -6.676 0.507 0.779 1.00 73.40 O +ATOM 71 CB ALA A 12 -5.104 -2.276 0.585 1.00 75.25 C +ATOM 72 N GLY A 13 -4.527 0.822 1.331 1.00 83.78 N +ATOM 73 CA GLY A 13 -4.526 2.196 0.871 1.00 82.27 C +ATOM 74 C GLY A 13 -4.577 2.293 -0.642 1.00 83.21 C +ATOM 75 O GLY A 13 -4.451 1.285 -1.342 1.00 83.69 O +ATOM 76 N PRO A 14 -4.759 3.507 -1.180 1.00 77.90 N +ATOM 77 CA PRO A 14 -4.824 3.698 -2.624 1.00 79.88 C +ATOM 78 C PRO A 14 -3.452 3.526 -3.268 1.00 79.91 C +ATOM 79 O PRO A 14 -2.428 3.589 -2.597 1.00 79.36 O +ATOM 80 CB PRO A 14 -5.331 5.131 -2.769 1.00 77.90 C +ATOM 81 CG PRO A 14 -4.814 5.804 -1.549 1.00 77.33 C +ATOM 82 CD PRO A 14 -4.935 4.770 -0.459 1.00 76.84 C +HETATM 83 N HYP A 15 -3.428 3.320 -4.598 1.00 74.58 N +HETATM 84 CA HYP A 15 -2.184 3.251 -5.341 1.00 72.87 C +HETATM 85 C HYP A 15 -1.354 4.498 -5.219 1.00 71.48 C +HETATM 86 O HYP A 15 -1.925 5.590 -5.044 1.00 76.00 O +HETATM 87 CB HYP A 15 -2.692 3.077 -6.777 1.00 72.35 C +HETATM 88 CG HYP A 15 -4.040 2.409 -6.615 1.00 73.84 C +HETATM 89 CD HYP A 15 -4.579 3.041 -5.389 1.00 78.59 C +HETATM 90 OD1 HYP A 15 -3.919 1.039 -6.416 1.00 79.37 O +ATOM 91 N GLY A 16 -0.065 4.371 -5.199 1.00 88.90 N +ATOM 92 CA GLY A 16 0.802 5.512 -5.123 1.00 87.56 C +ATOM 93 C GLY A 16 0.747 6.334 -6.399 1.00 88.33 C +ATOM 94 O GLY A 16 0.154 5.906 -7.399 1.00 87.63 O +ATOM 95 N PRO A 17 1.373 7.516 -6.397 1.00 74.01 N +ATOM 96 CA PRO A 17 1.365 8.369 -7.584 1.00 74.59 C +ATOM 97 C PRO A 17 2.232 7.782 -8.695 1.00 73.93 C +ATOM 98 O PRO A 17 3.112 6.961 -8.444 1.00 74.42 O +ATOM 99 CB PRO A 17 1.925 9.690 -7.073 1.00 73.61 C +ATOM 100 CG PRO A 17 2.806 9.287 -5.941 1.00 72.25 C +ATOM 101 CD PRO A 17 2.090 8.131 -5.286 1.00 69.83 C +HETATM 102 N HYP A 18 2.007 8.186 -9.941 1.00 78.37 N +HETATM 103 CA HYP A 18 2.836 7.811 -11.055 1.00 82.56 C +HETATM 104 C HYP A 18 4.262 8.231 -10.914 1.00 74.49 C +HETATM 105 O HYP A 18 4.553 9.273 -10.294 1.00 82.21 O +HETATM 106 CB HYP A 18 2.168 8.513 -12.230 1.00 77.34 C +HETATM 107 CG HYP A 18 0.729 8.640 -11.841 1.00 78.41 C +HETATM 108 CD HYP A 18 0.827 8.884 -10.366 1.00 80.53 C +HETATM 109 OD1 HYP A 18 0.012 7.462 -12.073 1.00 84.01 O +ATOM 110 N GLY A 19 5.188 7.434 -11.394 1.00 83.42 N +ATOM 111 CA GLY A 19 6.588 7.749 -11.336 1.00 81.45 C +ATOM 112 C GLY A 19 6.918 8.917 -12.250 1.00 81.84 C +ATOM 113 O GLY A 19 6.070 9.373 -13.025 1.00 81.03 O +ATOM 114 N PRO A 20 8.154 9.398 -12.197 1.00 75.20 N +ATOM 115 CA PRO A 20 8.557 10.518 -13.041 1.00 76.07 C +ATOM 116 C PRO A 20 8.708 10.090 -14.497 1.00 75.71 C +ATOM 117 O PRO A 20 8.862 8.910 -14.793 1.00 74.12 O +ATOM 118 CB PRO A 20 9.892 10.948 -12.432 1.00 73.38 C +ATOM 119 CG PRO A 20 10.434 9.682 -11.872 1.00 72.19 C +ATOM 120 CD PRO A 20 9.229 8.947 -11.321 1.00 71.93 C +HETATM 121 N HYP A 21 8.689 11.021 -15.433 1.00 86.17 N +HETATM 122 CA HYP A 21 8.922 10.775 -16.822 1.00 82.76 C +HETATM 123 C HYP A 21 10.284 10.210 -17.108 1.00 85.75 C +HETATM 124 O HYP A 21 11.250 10.551 -16.406 1.00 85.87 O +HETATM 125 CB HYP A 21 8.826 12.164 -17.461 1.00 84.58 C +HETATM 126 CG HYP A 21 7.940 12.944 -16.531 1.00 82.07 C +HETATM 127 CD HYP A 21 8.308 12.394 -15.195 1.00 84.22 C +HETATM 128 OD1 HYP A 21 6.566 12.683 -16.784 1.00 83.55 O +ATOM 129 N GLY A 22 10.421 9.314 -18.056 1.00 82.31 N +ATOM 130 CA GLY A 22 11.691 8.762 -18.433 1.00 81.29 C +ATOM 131 C GLY A 22 12.556 9.824 -19.096 1.00 81.04 C +ATOM 132 O GLY A 22 12.101 10.946 -19.343 1.00 79.06 O +ATOM 133 N PRO A 23 13.805 9.493 -19.441 1.00 82.63 N +ATOM 134 CA PRO A 23 14.693 10.465 -20.075 1.00 84.95 C +ATOM 135 C PRO A 23 14.234 10.779 -21.485 1.00 83.62 C +ATOM 136 O PRO A 23 13.583 9.961 -22.139 1.00 79.31 O +ATOM 137 CB PRO A 23 16.056 9.781 -20.042 1.00 80.15 C +ATOM 138 CG PRO A 23 15.722 8.331 -20.050 1.00 75.46 C +ATOM 139 CD PRO A 23 14.468 8.209 -19.218 1.00 76.92 C +HETATM 140 N HYP A 24 14.619 11.933 -22.059 1.00 85.26 N +HETATM 141 CA HYP A 24 14.160 12.248 -23.415 1.00 85.04 C +HETATM 142 C HYP A 24 14.981 11.389 -24.418 1.00 81.75 C +HETATM 143 O HYP A 24 14.680 11.402 -25.558 1.00 84.63 O +HETATM 144 CB HYP A 24 14.720 13.721 -23.591 1.00 86.28 C +HETATM 145 CG HYP A 24 14.959 14.261 -22.235 1.00 83.81 C +HETATM 146 CD HYP A 24 15.281 13.023 -21.404 1.00 85.70 C +HETATM 147 OD1 HYP A 24 13.764 14.827 -21.738 1.00 79.78 O +HETATM 148 OXT HYP A 24 15.907 10.724 -23.990 1.00 79.75 O +TER 149 HYP A 24 +END diff --git a/protein_pdb_327.txt b/protein_pdb_327.txt new file mode 100644 index 0000000000000000000000000000000000000000..bc6680860e69e94ad695658b64e02fd9b6350c31 --- /dev/null +++ b/protein_pdb_327.txt @@ -0,0 +1,165 @@ +ATOM 1 N GLY A 1 13.682 3.718 7.172 1.00 94.21 N +ATOM 2 CA GLY A 1 12.925 4.572 6.293 1.00 94.52 C +ATOM 3 C GLY A 1 11.453 4.525 6.611 1.00 94.94 C +ATOM 4 O GLY A 1 11.010 3.706 7.411 1.00 93.86 O +ATOM 5 N PRO A 2 10.596 5.365 5.949 1.00 95.23 N +ATOM 6 CA PRO A 2 9.166 5.407 6.212 1.00 95.35 C +ATOM 7 C PRO A 2 8.447 4.224 5.594 1.00 95.40 C +ATOM 8 O PRO A 2 8.968 3.544 4.722 1.00 94.87 O +ATOM 9 CB PRO A 2 8.736 6.721 5.571 1.00 93.49 C +ATOM 10 CG PRO A 2 9.696 6.893 4.447 1.00 90.11 C +ATOM 11 CD PRO A 2 11.002 6.360 4.959 1.00 92.17 C +HETATM 12 N HYP A 3 7.242 4.023 6.061 1.00 94.76 N +HETATM 13 CA HYP A 3 6.412 2.978 5.461 1.00 94.17 C +HETATM 14 C HYP A 3 6.144 3.231 3.984 1.00 96.18 C +HETATM 15 O HYP A 3 6.077 4.401 3.560 1.00 96.33 O +HETATM 16 CB HYP A 3 5.080 3.129 6.272 1.00 94.51 C +HETATM 17 CG HYP A 3 5.518 3.718 7.609 1.00 92.58 C +HETATM 18 CD HYP A 3 6.625 4.706 7.179 1.00 93.87 C +HETATM 19 OD1 HYP A 3 6.080 2.699 8.383 1.00 93.46 O +ATOM 20 N GLY A 4 6.083 2.173 3.238 1.00 95.93 N +ATOM 21 CA GLY A 4 5.777 2.303 1.840 1.00 95.38 C +ATOM 22 C GLY A 4 4.353 2.770 1.623 1.00 95.74 C +ATOM 23 O GLY A 4 3.546 2.817 2.552 1.00 96.22 O +ATOM 24 N PRO A 5 4.028 3.120 0.384 1.00 96.70 N +ATOM 25 CA PRO A 5 2.685 3.580 0.077 1.00 96.49 C +ATOM 26 C PRO A 5 1.680 2.449 0.141 1.00 96.53 C +ATOM 27 O PRO A 5 2.041 1.278 0.093 1.00 96.42 O +ATOM 28 CB PRO A 5 2.823 4.126 -1.341 1.00 95.61 C +ATOM 29 CG PRO A 5 3.920 3.313 -1.921 1.00 94.08 C +ATOM 30 CD PRO A 5 4.875 3.070 -0.799 1.00 96.07 C +HETATM 31 N HYP A 6 0.406 2.829 0.264 1.00 96.17 N +HETATM 32 CA HYP A 6 -0.624 1.839 0.218 1.00 96.58 C +HETATM 33 C HYP A 6 -0.604 1.073 -1.074 1.00 96.98 C +HETATM 34 O HYP A 6 -0.214 1.629 -2.132 1.00 96.23 O +HETATM 35 CB HYP A 6 -1.917 2.689 0.326 1.00 94.90 C +HETATM 36 CG HYP A 6 -1.480 3.923 1.046 1.00 94.11 C +HETATM 37 CD HYP A 6 -0.084 4.168 0.477 1.00 95.49 C +HETATM 38 OD1 HYP A 6 -1.389 3.662 2.429 1.00 93.06 O +ATOM 39 N GLY A 7 -0.941 -0.185 -1.017 1.00 95.63 N +ATOM 40 CA GLY A 7 -1.034 -0.982 -2.200 1.00 94.98 C +ATOM 41 C GLY A 7 -2.119 -0.476 -3.124 1.00 95.43 C +ATOM 42 O GLY A 7 -2.944 0.360 -2.752 1.00 95.61 O +ATOM 43 N PRO A 8 -2.127 -0.984 -4.348 1.00 96.30 N +ATOM 44 CA PRO A 8 -3.128 -0.540 -5.304 1.00 95.99 C +ATOM 45 C PRO A 8 -4.506 -1.054 -4.933 1.00 96.33 C +ATOM 46 O PRO A 8 -4.650 -2.054 -4.242 1.00 95.82 O +ATOM 47 CB PRO A 8 -2.646 -1.126 -6.621 1.00 94.49 C +ATOM 48 CG PRO A 8 -1.889 -2.340 -6.209 1.00 93.38 C +ATOM 49 CD PRO A 8 -1.238 -1.980 -4.905 1.00 94.86 C +HETATM 50 N HYP A 9 -5.516 -0.372 -5.423 1.00 95.89 N +HETATM 51 CA HYP A 9 -6.840 -0.780 -5.180 1.00 95.96 C +HETATM 52 C HYP A 9 -7.141 -2.098 -5.865 1.00 96.28 C +HETATM 53 O HYP A 9 -6.678 -2.298 -7.016 1.00 95.58 O +HETATM 54 CB HYP A 9 -7.689 0.354 -5.905 1.00 94.99 C +HETATM 55 CG HYP A 9 -6.755 1.534 -5.987 1.00 93.82 C +HETATM 56 CD HYP A 9 -5.409 0.911 -6.149 1.00 95.54 C +HETATM 57 OD1 HYP A 9 -6.787 2.211 -4.748 1.00 93.14 O +ATOM 58 N GLY A 10 -7.802 -3.018 -5.267 1.00 94.58 N +ATOM 59 CA GLY A 10 -8.331 -4.169 -5.959 1.00 93.46 C +ATOM 60 C GLY A 10 -9.479 -3.746 -6.842 1.00 93.54 C +ATOM 61 O GLY A 10 -9.918 -2.599 -6.825 1.00 93.03 O +ATOM 62 N TRP A 11 -9.968 -4.696 -7.617 1.00 94.81 N +ATOM 63 CA TRP A 11 -11.098 -4.353 -8.473 1.00 94.50 C +ATOM 64 C TRP A 11 -12.326 -3.984 -7.654 1.00 94.39 C +ATOM 65 O TRP A 11 -13.151 -3.198 -8.103 1.00 92.51 O +ATOM 66 CB TRP A 11 -11.419 -5.507 -9.408 1.00 94.49 C +ATOM 67 CG TRP A 11 -10.359 -5.735 -10.438 1.00 90.57 C +ATOM 68 CD1 TRP A 11 -9.280 -4.954 -10.718 1.00 88.51 C +ATOM 69 CD2 TRP A 11 -10.285 -6.836 -11.361 1.00 89.28 C +ATOM 70 NE1 TRP A 11 -8.550 -5.490 -11.741 1.00 81.72 N +ATOM 71 CE2 TRP A 11 -9.143 -6.644 -12.161 1.00 85.85 C +ATOM 72 CE3 TRP A 11 -11.082 -7.958 -11.587 1.00 84.53 C +ATOM 73 CZ2 TRP A 11 -8.766 -7.539 -13.164 1.00 89.58 C +ATOM 74 CZ3 TRP A 11 -10.716 -8.849 -12.577 1.00 81.34 C +ATOM 75 CH2 TRP A 11 -9.574 -8.638 -13.355 1.00 80.98 C +ATOM 76 N ARG A 12 -12.421 -4.552 -6.465 1.00 94.85 N +ATOM 77 CA ARG A 12 -13.478 -4.189 -5.531 1.00 95.02 C +ATOM 78 C ARG A 12 -12.966 -3.933 -4.129 1.00 95.39 C +ATOM 79 O ARG A 12 -13.614 -3.216 -3.370 1.00 94.04 O +ATOM 80 CB ARG A 12 -14.534 -5.296 -5.475 1.00 93.01 C +ATOM 81 CG ARG A 12 -15.308 -5.461 -6.765 1.00 88.00 C +ATOM 82 CD ARG A 12 -16.442 -6.442 -6.586 1.00 83.54 C +ATOM 83 NE ARG A 12 -17.249 -6.555 -7.791 1.00 78.87 N +ATOM 84 CZ ARG A 12 -18.375 -7.232 -7.876 1.00 75.26 C +ATOM 85 NH1 ARG A 12 -18.839 -7.881 -6.811 1.00 72.35 N +ATOM 86 NH2 ARG A 12 -19.040 -7.277 -9.014 1.00 70.71 N +ATOM 87 N GLY A 13 -11.840 -4.499 -3.776 1.00 96.10 N +ATOM 88 CA GLY A 13 -11.321 -4.385 -2.433 1.00 95.70 C +ATOM 89 C GLY A 13 -10.660 -3.057 -2.147 1.00 96.03 C +ATOM 90 O GLY A 13 -10.418 -2.255 -3.047 1.00 96.01 O +ATOM 91 N PRO A 14 -10.358 -2.820 -0.889 1.00 96.24 N +ATOM 92 CA PRO A 14 -9.700 -1.593 -0.493 1.00 96.18 C +ATOM 93 C PRO A 14 -8.232 -1.606 -0.872 1.00 96.23 C +ATOM 94 O PRO A 14 -7.678 -2.638 -1.238 1.00 95.80 O +ATOM 95 CB PRO A 14 -9.862 -1.580 1.029 1.00 95.01 C +ATOM 96 CG PRO A 14 -9.876 -3.024 1.382 1.00 93.40 C +ATOM 97 CD PRO A 14 -10.601 -3.707 0.247 1.00 94.89 C +HETATM 98 N HYP A 15 -7.636 -0.429 -0.748 1.00 96.47 N +HETATM 99 CA HYP A 15 -6.205 -0.349 -0.992 1.00 95.85 C +HETATM 100 C HYP A 15 -5.449 -1.265 -0.076 1.00 96.98 C +HETATM 101 O HYP A 15 -5.932 -1.539 1.057 1.00 96.30 O +HETATM 102 CB HYP A 15 -5.950 1.142 -0.673 1.00 94.40 C +HETATM 103 CG HYP A 15 -7.287 1.836 -0.947 1.00 93.77 C +HETATM 104 CD HYP A 15 -8.283 0.828 -0.432 1.00 95.75 C +HETATM 105 OD1 HYP A 15 -7.458 2.018 -2.322 1.00 94.09 O +ATOM 106 N GLY A 16 -4.337 -1.753 -0.534 1.00 96.71 N +ATOM 107 CA GLY A 16 -3.510 -2.574 0.302 1.00 96.38 C +ATOM 108 C GLY A 16 -2.933 -1.782 1.457 1.00 96.73 C +ATOM 109 O GLY A 16 -3.012 -0.555 1.489 1.00 96.73 O +ATOM 110 N PRO A 17 -2.354 -2.489 2.415 1.00 96.30 N +ATOM 111 CA PRO A 17 -1.753 -1.820 3.554 1.00 96.05 C +ATOM 112 C PRO A 17 -0.477 -1.102 3.153 1.00 96.21 C +ATOM 113 O PRO A 17 0.103 -1.372 2.109 1.00 95.70 O +ATOM 114 CB PRO A 17 -1.466 -2.959 4.523 1.00 94.90 C +ATOM 115 CG PRO A 17 -1.255 -4.129 3.632 1.00 93.26 C +ATOM 116 CD PRO A 17 -2.199 -3.940 2.485 1.00 95.24 C +HETATM 117 N HYP A 18 -0.070 -0.168 4.017 1.00 96.27 N +HETATM 118 CA HYP A 18 1.192 0.449 3.795 1.00 95.65 C +HETATM 119 C HYP A 18 2.310 -0.557 3.711 1.00 96.59 C +HETATM 120 O HYP A 18 2.241 -1.601 4.387 1.00 95.62 O +HETATM 121 CB HYP A 18 1.345 1.349 5.027 1.00 94.31 C +HETATM 122 CG HYP A 18 -0.064 1.648 5.442 1.00 93.75 C +HETATM 123 CD HYP A 18 -0.754 0.336 5.161 1.00 95.49 C +HETATM 124 OD1 HYP A 18 -0.612 2.664 4.609 1.00 92.89 O +ATOM 125 N GLY A 19 3.267 -0.312 2.879 1.00 95.14 N +ATOM 126 CA GLY A 19 4.409 -1.172 2.780 1.00 94.67 C +ATOM 127 C GLY A 19 5.221 -1.156 4.057 1.00 94.94 C +ATOM 128 O GLY A 19 5.005 -0.332 4.941 1.00 95.52 O +ATOM 129 N PRO A 20 6.168 -2.074 4.160 1.00 94.04 N +ATOM 130 CA PRO A 20 7.006 -2.126 5.340 1.00 93.19 C +ATOM 131 C PRO A 20 7.963 -0.949 5.383 1.00 93.33 C +ATOM 132 O PRO A 20 8.206 -0.292 4.378 1.00 93.97 O +ATOM 133 CB PRO A 20 7.755 -3.439 5.176 1.00 90.87 C +ATOM 134 CG PRO A 20 7.824 -3.626 3.710 1.00 87.56 C +ATOM 135 CD PRO A 20 6.536 -3.088 3.176 1.00 90.32 C +HETATM 136 N HYP A 21 8.472 -0.684 6.551 1.00 95.36 N +HETATM 137 CA HYP A 21 9.466 0.330 6.687 1.00 93.69 C +HETATM 138 C HYP A 21 10.683 0.100 5.810 1.00 95.65 C +HETATM 139 O HYP A 21 11.055 -1.051 5.605 1.00 95.28 O +HETATM 140 CB HYP A 21 9.831 0.314 8.169 1.00 93.46 C +HETATM 141 CG HYP A 21 8.624 -0.267 8.862 1.00 92.51 C +HETATM 142 CD HYP A 21 8.121 -1.279 7.845 1.00 94.56 C +HETATM 143 OD1 HYP A 21 7.618 0.738 9.009 1.00 92.54 O +ATOM 144 N GLY A 22 11.213 1.121 5.237 1.00 94.31 N +ATOM 145 CA GLY A 22 12.423 1.015 4.481 1.00 92.89 C +ATOM 146 C GLY A 22 13.613 0.781 5.403 1.00 92.94 C +ATOM 147 O GLY A 22 13.475 0.745 6.627 1.00 93.31 O +ATOM 148 N PRO A 23 14.807 0.650 4.839 1.00 94.13 N +ATOM 149 CA PRO A 23 15.989 0.493 5.667 1.00 93.38 C +ATOM 150 C PRO A 23 16.174 1.717 6.534 1.00 92.30 C +ATOM 151 O PRO A 23 16.072 2.837 6.046 1.00 90.31 O +ATOM 152 CB PRO A 23 17.131 0.371 4.657 1.00 91.07 C +ATOM 153 CG PRO A 23 16.486 0.128 3.357 1.00 88.42 C +ATOM 154 CD PRO A 23 15.118 0.693 3.427 1.00 91.46 C +HETATM 155 N HYP A 24 16.379 1.608 7.746 1.00 95.09 N +HETATM 156 CA HYP A 24 16.349 2.779 8.567 1.00 91.30 C +HETATM 157 C HYP A 24 15.304 3.785 8.288 1.00 94.78 C +HETATM 158 O HYP A 24 15.690 4.882 7.837 1.00 92.00 O +HETATM 159 CB HYP A 24 16.832 2.477 9.860 1.00 91.88 C +HETATM 160 CG HYP A 24 17.219 0.988 9.783 1.00 91.87 C +HETATM 161 CD HYP A 24 17.073 0.573 8.306 1.00 93.42 C +HETATM 162 OD1 HYP A 24 18.519 0.790 10.162 1.00 90.62 O +HETATM 163 OXT HYP A 24 14.114 3.690 8.825 1.00 90.77 O +TER 164 HYP A 24 +END diff --git a/protein_pdb_328.txt b/protein_pdb_328.txt new file mode 100644 index 0000000000000000000000000000000000000000..1c4c632d71a18c251ef6c55aa1e6257543d5528b --- /dev/null +++ b/protein_pdb_328.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 2.746 -15.834 -2.315 1.00 87.10 N +ATOM 2 CA GLY A 1 2.995 -14.914 -3.379 1.00 87.42 C +ATOM 3 C GLY A 1 3.743 -13.669 -2.938 1.00 88.14 C +ATOM 4 O GLY A 1 3.952 -13.453 -1.746 1.00 86.01 O +ATOM 5 N PRO A 2 4.100 -12.896 -3.835 1.00 84.62 N +ATOM 6 CA PRO A 2 4.837 -11.682 -3.536 1.00 85.38 C +ATOM 7 C PRO A 2 3.929 -10.566 -3.031 1.00 84.80 C +ATOM 8 O PRO A 2 2.710 -10.647 -3.128 1.00 81.59 O +ATOM 9 CB PRO A 2 5.442 -11.317 -4.895 1.00 81.84 C +ATOM 10 CG PRO A 2 4.440 -11.819 -5.869 1.00 77.83 C +ATOM 11 CD PRO A 2 3.894 -13.086 -5.274 1.00 78.58 C +HETATM 12 N HYP A 3 4.557 -9.532 -2.494 1.00 87.07 N +HETATM 13 CA HYP A 3 3.790 -8.372 -2.038 1.00 83.06 C +HETATM 14 C HYP A 3 3.046 -7.714 -3.181 1.00 87.68 C +HETATM 15 O HYP A 3 3.508 -7.782 -4.334 1.00 89.58 O +HETATM 16 CB HYP A 3 4.923 -7.387 -1.554 1.00 84.20 C +HETATM 17 CG HYP A 3 6.059 -8.322 -1.166 1.00 81.65 C +HETATM 18 CD HYP A 3 5.968 -9.439 -2.238 1.00 85.94 C +HETATM 19 OD1 HYP A 3 5.783 -8.858 0.092 1.00 83.32 O +ATOM 20 N GLY A 4 1.892 -7.200 -2.875 1.00 88.92 N +ATOM 21 CA GLY A 4 1.125 -6.491 -3.859 1.00 88.37 C +ATOM 22 C GLY A 4 1.775 -5.178 -4.245 1.00 89.54 C +ATOM 23 O GLY A 4 2.733 -4.729 -3.611 1.00 89.39 O +ATOM 24 N PRO A 5 1.264 -4.541 -5.282 1.00 86.54 N +ATOM 25 CA PRO A 5 1.828 -3.273 -5.730 1.00 86.29 C +ATOM 26 C PRO A 5 1.514 -2.147 -4.759 1.00 86.10 C +ATOM 27 O PRO A 5 0.581 -2.231 -3.965 1.00 84.50 O +ATOM 28 CB PRO A 5 1.150 -3.046 -7.072 1.00 84.57 C +ATOM 29 CG PRO A 5 -0.157 -3.743 -6.935 1.00 82.70 C +ATOM 30 CD PRO A 5 0.118 -4.950 -6.084 1.00 84.52 C +HETATM 31 N HYP A 6 2.335 -1.073 -4.846 1.00 88.28 N +HETATM 32 CA HYP A 6 2.022 0.102 -4.081 1.00 88.56 C +HETATM 33 C HYP A 6 0.668 0.665 -4.438 1.00 88.75 C +HETATM 34 O HYP A 6 0.208 0.510 -5.587 1.00 89.04 O +HETATM 35 CB HYP A 6 3.154 1.093 -4.567 1.00 83.37 C +HETATM 36 CG HYP A 6 4.279 0.168 -4.968 1.00 83.68 C +HETATM 37 CD HYP A 6 3.551 -0.987 -5.631 1.00 88.06 C +HETATM 38 OD1 HYP A 6 4.942 -0.282 -3.812 1.00 84.20 O +ATOM 39 N GLY A 7 0.007 1.203 -3.464 1.00 88.22 N +ATOM 40 CA GLY A 7 -1.265 1.830 -3.698 1.00 87.16 C +ATOM 41 C GLY A 7 -1.133 3.042 -4.592 1.00 88.03 C +ATOM 42 O GLY A 7 -0.035 3.524 -4.867 1.00 87.32 O +ATOM 43 N PRO A 8 -2.263 3.540 -5.064 1.00 82.54 N +ATOM 44 CA PRO A 8 -2.232 4.698 -5.939 1.00 82.77 C +ATOM 45 C PRO A 8 -1.893 5.970 -5.181 1.00 82.63 C +ATOM 46 O PRO A 8 -2.057 6.056 -3.968 1.00 80.59 O +ATOM 47 CB PRO A 8 -3.652 4.749 -6.493 1.00 79.93 C +ATOM 48 CG PRO A 8 -4.478 4.136 -5.423 1.00 78.54 C +ATOM 49 CD PRO A 8 -3.615 3.070 -4.809 1.00 79.28 C +HETATM 50 N HYP A 9 -1.406 6.980 -5.931 1.00 86.37 N +HETATM 51 CA HYP A 9 -1.171 8.250 -5.336 1.00 83.59 C +HETATM 52 C HYP A 9 -2.440 8.879 -4.831 1.00 85.95 C +HETATM 53 O HYP A 9 -3.535 8.668 -5.383 1.00 85.79 O +HETATM 54 CB HYP A 9 -0.656 9.108 -6.561 1.00 78.99 C +HETATM 55 CG HYP A 9 -0.129 8.118 -7.530 1.00 79.81 C +HETATM 56 CD HYP A 9 -1.007 6.927 -7.364 1.00 85.17 C +HETATM 57 OD1 HYP A 9 1.183 7.770 -7.141 1.00 80.55 O +ATOM 58 N GLY A 10 -2.413 9.589 -3.765 1.00 85.47 N +ATOM 59 CA GLY A 10 -3.520 10.408 -3.344 1.00 82.58 C +ATOM 60 C GLY A 10 -3.632 11.644 -4.219 1.00 82.50 C +ATOM 61 O GLY A 10 -2.925 11.791 -5.216 1.00 79.91 O +ATOM 62 N VAL A 11 -4.519 12.534 -3.829 1.00 83.62 N +ATOM 63 CA VAL A 11 -4.663 13.771 -4.587 1.00 85.54 C +ATOM 64 C VAL A 11 -3.314 14.475 -4.723 1.00 84.99 C +ATOM 65 O VAL A 11 -2.931 14.910 -5.812 1.00 83.56 O +ATOM 66 CB VAL A 11 -5.709 14.688 -3.932 1.00 83.57 C +ATOM 67 CG1 VAL A 11 -5.770 16.029 -4.628 1.00 77.11 C +ATOM 68 CG2 VAL A 11 -7.073 14.012 -3.966 1.00 77.87 C +ATOM 69 N CYS A 12 -2.599 14.562 -3.610 1.00 83.84 N +ATOM 70 CA CYS A 12 -1.240 15.099 -3.581 1.00 87.02 C +ATOM 71 C CYS A 12 -0.286 14.148 -2.884 1.00 88.05 C +ATOM 72 O CYS A 12 0.842 14.532 -2.572 1.00 83.73 O +ATOM 73 CB CYS A 12 -1.203 16.446 -2.854 1.00 82.81 C +ATOM 74 SG CYS A 12 -2.246 17.706 -3.594 1.00 76.83 S +ATOM 75 N GLY A 13 -0.718 12.943 -2.608 1.00 91.09 N +ATOM 76 CA GLY A 13 -0.011 12.053 -1.710 1.00 90.61 C +ATOM 77 C GLY A 13 0.810 10.990 -2.402 1.00 91.53 C +ATOM 78 O GLY A 13 0.673 10.751 -3.604 1.00 91.65 O +ATOM 79 N PRO A 14 1.659 10.345 -1.634 1.00 90.82 N +ATOM 80 CA PRO A 14 2.494 9.281 -2.159 1.00 90.55 C +ATOM 81 C PRO A 14 1.699 8.001 -2.382 1.00 90.64 C +ATOM 82 O PRO A 14 0.584 7.857 -1.902 1.00 88.63 O +ATOM 83 CB PRO A 14 3.538 9.085 -1.063 1.00 88.82 C +ATOM 84 CG PRO A 14 2.793 9.410 0.180 1.00 87.47 C +ATOM 85 CD PRO A 14 1.866 10.543 -0.192 1.00 88.06 C +HETATM 86 N HYP A 15 2.332 7.107 -3.082 1.00 90.07 N +HETATM 87 CA HYP A 15 1.747 5.788 -3.224 1.00 91.58 C +HETATM 88 C HYP A 15 1.577 5.103 -1.899 1.00 91.27 C +HETATM 89 O HYP A 15 2.343 5.352 -0.953 1.00 90.53 O +HETATM 90 CB HYP A 15 2.871 5.072 -4.060 1.00 87.89 C +HETATM 91 CG HYP A 15 3.559 6.176 -4.821 1.00 86.42 C +HETATM 92 CD HYP A 15 3.578 7.308 -3.826 1.00 89.91 C +HETATM 93 OD1 HYP A 15 2.801 6.535 -5.937 1.00 87.53 O +ATOM 94 N GLY A 16 0.572 4.316 -1.821 1.00 92.71 N +ATOM 95 CA GLY A 16 0.395 3.513 -0.643 1.00 92.06 C +ATOM 96 C GLY A 16 1.449 2.435 -0.541 1.00 92.82 C +ATOM 97 O GLY A 16 2.239 2.223 -1.465 1.00 92.44 O +ATOM 98 N PRO A 17 1.468 1.755 0.594 1.00 87.70 N +ATOM 99 CA PRO A 17 2.446 0.689 0.786 1.00 87.18 C +ATOM 100 C PRO A 17 2.119 -0.525 -0.070 1.00 87.73 C +ATOM 101 O PRO A 17 0.998 -0.686 -0.543 1.00 85.53 O +ATOM 102 CB PRO A 17 2.325 0.378 2.271 1.00 85.36 C +ATOM 103 CG PRO A 17 0.920 0.729 2.598 1.00 84.44 C +ATOM 104 CD PRO A 17 0.581 1.916 1.747 1.00 85.56 C +HETATM 105 N HYP A 18 3.139 -1.361 -0.249 1.00 84.26 N +HETATM 106 CA HYP A 18 2.895 -2.610 -0.921 1.00 85.69 C +HETATM 107 C HYP A 18 1.863 -3.442 -0.215 1.00 87.16 C +HETATM 108 O HYP A 18 1.722 -3.359 1.009 1.00 87.15 O +HETATM 109 CB HYP A 18 4.294 -3.306 -0.793 1.00 83.46 C +HETATM 110 CG HYP A 18 5.277 -2.172 -0.705 1.00 81.73 C +HETATM 111 CD HYP A 18 4.529 -1.152 0.135 1.00 86.97 C +HETATM 112 OD1 HYP A 18 5.490 -1.642 -2.005 1.00 85.03 O +ATOM 113 N GLY A 19 1.098 -4.147 -0.975 1.00 85.61 N +ATOM 114 CA GLY A 19 0.142 -5.054 -0.408 1.00 85.07 C +ATOM 115 C GLY A 19 0.819 -6.197 0.319 1.00 85.73 C +ATOM 116 O GLY A 19 2.033 -6.369 0.243 1.00 86.10 O +ATOM 117 N PRO A 20 0.030 -6.978 1.027 1.00 78.31 N +ATOM 118 CA PRO A 20 0.592 -8.103 1.759 1.00 79.08 C +ATOM 119 C PRO A 20 1.021 -9.215 0.816 1.00 78.43 C +ATOM 120 O PRO A 20 0.606 -9.263 -0.337 1.00 77.96 O +ATOM 121 CB PRO A 20 -0.569 -8.554 2.642 1.00 77.32 C +ATOM 122 CG PRO A 20 -1.774 -8.160 1.865 1.00 74.76 C +ATOM 123 CD PRO A 20 -1.414 -6.882 1.160 1.00 75.00 C +HETATM 124 N HYP A 21 1.892 -10.078 1.350 1.00 85.28 N +HETATM 125 CA HYP A 21 2.244 -11.242 0.580 1.00 84.15 C +HETATM 126 C HYP A 21 1.042 -12.070 0.176 1.00 85.89 C +HETATM 127 O HYP A 21 0.085 -12.143 0.931 1.00 89.02 O +HETATM 128 CB HYP A 21 3.157 -12.043 1.513 1.00 82.02 C +HETATM 129 CG HYP A 21 3.751 -11.016 2.437 1.00 76.76 C +HETATM 130 CD HYP A 21 2.626 -10.033 2.637 1.00 85.42 C +HETATM 131 OD1 HYP A 21 4.820 -10.336 1.764 1.00 80.56 O +ATOM 132 N GLY A 22 1.049 -12.544 -1.027 1.00 87.14 N +ATOM 133 CA GLY A 22 -0.009 -13.397 -1.491 1.00 84.46 C +ATOM 134 C GLY A 22 0.017 -14.733 -0.781 1.00 84.44 C +ATOM 135 O GLY A 22 0.945 -15.039 -0.035 1.00 84.05 O +ATOM 136 N PRO A 23 -0.996 -15.557 -1.018 1.00 86.34 N +ATOM 137 CA PRO A 23 -1.012 -16.888 -0.426 1.00 86.06 C +ATOM 138 C PRO A 23 0.171 -17.695 -0.916 1.00 84.54 C +ATOM 139 O PRO A 23 0.375 -17.795 -2.129 1.00 81.24 O +ATOM 140 CB PRO A 23 -2.325 -17.485 -0.909 1.00 82.11 C +ATOM 141 CG PRO A 23 -3.142 -16.314 -1.331 1.00 79.24 C +ATOM 142 CD PRO A 23 -2.172 -15.293 -1.828 1.00 81.84 C +HETATM 143 N HYP A 24 0.968 -18.146 -0.130 1.00 90.66 N +HETATM 144 CA HYP A 24 2.291 -18.720 -0.620 1.00 87.03 C +HETATM 145 C HYP A 24 3.109 -17.873 -1.403 1.00 90.16 C +HETATM 146 O HYP A 24 3.662 -18.232 -2.516 1.00 88.66 O +HETATM 147 CB HYP A 24 2.736 -19.455 0.578 1.00 84.63 C +HETATM 148 CG HYP A 24 1.427 -19.898 1.266 1.00 83.67 C +HETATM 149 CD HYP A 24 0.449 -18.763 0.995 1.00 88.43 C +HETATM 150 OD1 HYP A 24 1.578 -20.108 2.641 1.00 86.26 O +HETATM 151 OXT HYP A 24 3.859 -16.926 -0.852 1.00 84.76 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_329.txt b/protein_pdb_329.txt new file mode 100644 index 0000000000000000000000000000000000000000..3d6839eb8dd21ebfd015b5f99a9f4696063671c8 --- /dev/null +++ b/protein_pdb_329.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 23.165 -26.294 1.383 1.00 89.04 N +ATOM 2 CA GLY A 1 23.557 -25.188 0.510 1.00 91.51 C +ATOM 3 C GLY A 1 23.226 -23.848 1.119 1.00 92.00 C +ATOM 4 O GLY A 1 22.582 -23.783 2.169 1.00 90.15 O +ATOM 5 N PRO A 2 23.628 -22.764 0.508 1.00 91.74 N +ATOM 6 CA PRO A 2 23.349 -21.429 1.036 1.00 93.15 C +ATOM 7 C PRO A 2 21.870 -21.081 0.920 1.00 93.23 C +ATOM 8 O PRO A 2 21.162 -21.613 0.079 1.00 92.06 O +ATOM 9 CB PRO A 2 24.210 -20.507 0.175 1.00 91.35 C +ATOM 10 CG PRO A 2 24.314 -21.243 -1.117 1.00 89.25 C +ATOM 11 CD PRO A 2 24.403 -22.699 -0.727 1.00 90.89 C +HETATM 12 N HYP A 3 21.449 -20.279 1.746 1.00 92.05 N +HETATM 13 CA HYP A 3 20.049 -19.714 1.725 1.00 89.88 C +HETATM 14 C HYP A 3 19.731 -18.994 0.434 1.00 88.18 C +HETATM 15 O HYP A 3 20.604 -18.361 -0.185 1.00 91.32 O +HETATM 16 CB HYP A 3 20.118 -18.704 2.892 1.00 89.73 C +HETATM 17 CG HYP A 3 21.213 -19.211 3.816 1.00 86.60 C +HETATM 18 CD HYP A 3 22.264 -19.746 2.841 1.00 89.44 C +HETATM 19 OD1 HYP A 3 20.767 -20.261 4.635 1.00 91.53 O +ATOM 20 N GLY A 4 18.454 -19.081 0.011 1.00 94.41 N +ATOM 21 CA GLY A 4 18.017 -18.397 -1.177 1.00 94.07 C +ATOM 22 C GLY A 4 17.858 -16.904 -0.914 1.00 94.20 C +ATOM 23 O GLY A 4 17.927 -16.456 0.231 1.00 93.86 O +ATOM 24 N PRO A 5 17.623 -16.122 -1.958 1.00 94.44 N +ATOM 25 CA PRO A 5 17.470 -14.675 -1.793 1.00 94.59 C +ATOM 26 C PRO A 5 16.134 -14.328 -1.151 1.00 94.50 C +ATOM 27 O PRO A 5 15.171 -15.076 -1.246 1.00 93.65 O +ATOM 28 CB PRO A 5 17.562 -14.147 -3.221 1.00 92.86 C +ATOM 29 CG PRO A 5 17.020 -15.268 -4.035 1.00 91.08 C +ATOM 30 CD PRO A 5 17.539 -16.522 -3.354 1.00 93.13 C +HETATM 31 N HYP A 6 16.102 -13.206 -0.512 1.00 91.86 N +HETATM 32 CA HYP A 6 14.815 -12.663 0.053 1.00 93.85 C +HETATM 33 C HYP A 6 13.815 -12.387 -1.038 1.00 92.65 C +HETATM 34 O HYP A 6 14.179 -12.081 -2.212 1.00 91.28 O +HETATM 35 CB HYP A 6 15.324 -11.320 0.642 1.00 88.76 C +HETATM 36 CG HYP A 6 16.755 -11.548 1.000 1.00 87.86 C +HETATM 37 CD HYP A 6 17.242 -12.423 -0.138 1.00 90.61 C +HETATM 38 OD1 HYP A 6 16.855 -12.232 2.223 1.00 88.82 O +ATOM 39 N GLY A 7 12.517 -12.486 -0.693 1.00 93.93 N +ATOM 40 CA GLY A 7 11.456 -12.200 -1.631 1.00 93.35 C +ATOM 41 C GLY A 7 11.351 -10.709 -1.903 1.00 94.04 C +ATOM 42 O GLY A 7 12.039 -9.900 -1.279 1.00 93.94 O +ATOM 43 N PRO A 8 10.476 -10.328 -2.824 1.00 93.80 N +ATOM 44 CA PRO A 8 10.319 -8.912 -3.159 1.00 94.05 C +ATOM 45 C PRO A 8 9.642 -8.142 -2.031 1.00 93.92 C +ATOM 46 O PRO A 8 8.869 -8.701 -1.260 1.00 92.95 O +ATOM 47 CB PRO A 8 9.461 -8.937 -4.418 1.00 92.71 C +ATOM 48 CG PRO A 8 8.670 -10.185 -4.267 1.00 92.20 C +ATOM 49 CD PRO A 8 9.618 -11.178 -3.631 1.00 93.76 C +HETATM 50 N HYP A 9 9.899 -6.856 -1.954 1.00 91.59 N +HETATM 51 CA HYP A 9 9.268 -6.002 -0.971 1.00 93.65 C +HETATM 52 C HYP A 9 7.803 -5.846 -1.217 1.00 90.78 C +HETATM 53 O HYP A 9 7.329 -5.915 -2.382 1.00 91.11 O +HETATM 54 CB HYP A 9 9.976 -4.606 -1.252 1.00 90.82 C +HETATM 55 CG HYP A 9 11.291 -4.979 -1.844 1.00 89.35 C +HETATM 56 CD HYP A 9 10.961 -6.179 -2.655 1.00 91.66 C +HETATM 57 OD1 HYP A 9 12.196 -5.320 -0.818 1.00 89.02 O +ATOM 58 N GLY A 10 7.031 -5.589 -0.138 1.00 93.20 N +ATOM 59 CA GLY A 10 5.621 -5.319 -0.256 1.00 92.29 C +ATOM 60 C GLY A 10 5.392 -3.951 -0.872 1.00 92.67 C +ATOM 61 O GLY A 10 6.335 -3.190 -1.099 1.00 91.43 O +ATOM 62 N HIS A 11 4.140 -3.639 -1.143 1.00 90.82 N +ATOM 63 CA HIS A 11 3.770 -2.368 -1.759 1.00 91.26 C +ATOM 64 C HIS A 11 2.683 -1.687 -0.955 1.00 90.81 C +ATOM 65 O HIS A 11 1.803 -2.340 -0.395 1.00 88.93 O +ATOM 66 CB HIS A 11 3.292 -2.578 -3.196 1.00 89.16 C +ATOM 67 CG HIS A 11 4.336 -3.175 -4.091 1.00 85.44 C +ATOM 68 ND1 HIS A 11 4.483 -4.532 -4.266 1.00 82.05 N +ATOM 69 CD2 HIS A 11 5.293 -2.592 -4.830 1.00 79.86 C +ATOM 70 CE1 HIS A 11 5.493 -4.752 -5.082 1.00 80.42 C +ATOM 71 NE2 HIS A 11 6.012 -3.591 -5.450 1.00 82.62 N +ATOM 72 N VAL A 12 2.735 -0.365 -0.917 1.00 90.82 N +ATOM 73 CA VAL A 12 1.712 0.418 -0.238 1.00 89.93 C +ATOM 74 C VAL A 12 0.401 0.210 -0.987 1.00 89.82 C +ATOM 75 O VAL A 12 0.372 0.202 -2.223 1.00 87.22 O +ATOM 76 CB VAL A 12 2.086 1.914 -0.213 1.00 86.83 C +ATOM 77 CG1 VAL A 12 0.983 2.736 0.433 1.00 80.89 C +ATOM 78 CG2 VAL A 12 3.384 2.111 0.545 1.00 80.36 C +ATOM 79 N GLY A 13 -0.667 0.019 -0.227 1.00 91.97 N +ATOM 80 CA GLY A 13 -1.965 -0.184 -0.836 1.00 90.91 C +ATOM 81 C GLY A 13 -2.518 1.073 -1.473 1.00 91.73 C +ATOM 82 O GLY A 13 -1.918 2.146 -1.381 1.00 92.53 O +ATOM 83 N PRO A 14 -3.685 0.976 -2.127 1.00 91.20 N +ATOM 84 CA PRO A 14 -4.287 2.129 -2.778 1.00 91.76 C +ATOM 85 C PRO A 14 -4.770 3.146 -1.761 1.00 91.71 C +ATOM 86 O PRO A 14 -5.014 2.816 -0.602 1.00 91.70 O +ATOM 87 CB PRO A 14 -5.446 1.532 -3.571 1.00 90.35 C +ATOM 88 CG PRO A 14 -5.797 0.304 -2.800 1.00 89.78 C +ATOM 89 CD PRO A 14 -4.477 -0.232 -2.308 1.00 90.89 C +HETATM 90 N HYP A 15 -4.943 4.394 -2.195 1.00 83.77 N +HETATM 91 CA HYP A 15 -5.467 5.454 -1.340 1.00 85.37 C +HETATM 92 C HYP A 15 -6.860 5.146 -0.803 1.00 86.48 C +HETATM 93 O HYP A 15 -7.621 4.394 -1.432 1.00 85.43 O +HETATM 94 CB HYP A 15 -5.509 6.621 -2.339 1.00 83.23 C +HETATM 95 CG HYP A 15 -4.404 6.295 -3.318 1.00 81.13 C +HETATM 96 CD HYP A 15 -4.535 4.817 -3.470 1.00 83.90 C +HETATM 97 OD1 HYP A 15 -3.149 6.611 -2.807 1.00 87.97 O +ATOM 98 N GLY A 16 -7.137 5.617 0.375 1.00 94.54 N +ATOM 99 CA GLY A 16 -8.431 5.421 0.966 1.00 92.97 C +ATOM 100 C GLY A 16 -9.495 6.216 0.223 1.00 93.41 C +ATOM 101 O GLY A 16 -9.184 7.029 -0.646 1.00 93.36 O +ATOM 102 N PRO A 17 -10.764 5.996 0.571 1.00 90.03 N +ATOM 103 CA PRO A 17 -11.856 6.697 -0.097 1.00 89.85 C +ATOM 104 C PRO A 17 -11.899 8.167 0.295 1.00 90.12 C +ATOM 105 O PRO A 17 -11.442 8.552 1.364 1.00 89.66 O +ATOM 106 CB PRO A 17 -13.095 5.952 0.370 1.00 88.01 C +ATOM 107 CG PRO A 17 -12.706 5.447 1.720 1.00 86.83 C +ATOM 108 CD PRO A 17 -11.258 5.059 1.576 1.00 87.59 C +HETATM 109 N HYP A 18 -12.455 9.000 -0.535 1.00 85.57 N +HETATM 110 CA HYP A 18 -12.696 10.397 -0.249 1.00 88.75 C +HETATM 111 C HYP A 18 -13.680 10.584 0.904 1.00 87.76 C +HETATM 112 O HYP A 18 -14.490 9.705 1.233 1.00 90.51 O +HETATM 113 CB HYP A 18 -13.354 10.845 -1.560 1.00 86.95 C +HETATM 114 CG HYP A 18 -12.793 9.967 -2.598 1.00 83.49 C +HETATM 115 CD HYP A 18 -12.709 8.670 -1.891 1.00 85.28 C +HETATM 116 OD1 HYP A 18 -11.507 10.389 -2.999 1.00 90.09 O +ATOM 117 N GLY A 19 -13.565 11.698 1.577 1.00 92.93 N +ATOM 118 CA GLY A 19 -14.454 12.022 2.656 1.00 92.28 C +ATOM 119 C GLY A 19 -15.859 12.280 2.150 1.00 92.70 C +ATOM 120 O GLY A 19 -16.103 12.311 0.939 1.00 92.86 O +ATOM 121 N PRO A 20 -16.812 12.491 3.069 1.00 85.33 N +ATOM 122 CA PRO A 20 -18.193 12.726 2.670 1.00 85.96 C +ATOM 123 C PRO A 20 -18.360 14.091 2.014 1.00 85.71 C +ATOM 124 O PRO A 20 -17.590 15.014 2.254 1.00 85.56 O +ATOM 125 CB PRO A 20 -18.951 12.637 3.992 1.00 83.00 C +ATOM 126 CG PRO A 20 -17.948 13.041 5.010 1.00 80.33 C +ATOM 127 CD PRO A 20 -16.649 12.467 4.522 1.00 81.94 C +HETATM 128 N HYP A 21 -19.384 14.272 1.201 1.00 89.35 N +HETATM 129 CA HYP A 21 -19.709 15.508 0.553 1.00 87.46 C +HETATM 130 C HYP A 21 -20.161 16.602 1.515 1.00 88.17 C +HETATM 131 O HYP A 21 -20.689 16.288 2.611 1.00 91.18 O +HETATM 132 CB HYP A 21 -20.974 15.107 -0.284 1.00 88.97 C +HETATM 133 CG HYP A 21 -20.827 13.659 -0.534 1.00 84.41 C +HETATM 134 CD HYP A 21 -20.185 13.166 0.745 1.00 86.48 C +HETATM 135 OD1 HYP A 21 -19.929 13.436 -1.606 1.00 88.89 O +ATOM 136 N GLY A 22 -19.888 17.824 1.214 1.00 90.50 N +ATOM 137 CA GLY A 22 -20.315 18.929 2.015 1.00 89.59 C +ATOM 138 C GLY A 22 -21.824 19.105 1.928 1.00 89.72 C +ATOM 139 O GLY A 22 -22.496 18.390 1.190 1.00 89.38 O +ATOM 140 N PRO A 23 -22.391 20.086 2.637 1.00 87.81 N +ATOM 141 CA PRO A 23 -23.834 20.305 2.611 1.00 88.39 C +ATOM 142 C PRO A 23 -24.283 20.870 1.277 1.00 87.72 C +ATOM 143 O PRO A 23 -23.506 21.499 0.559 1.00 84.82 O +ATOM 144 CB PRO A 23 -24.062 21.287 3.754 1.00 84.34 C +ATOM 145 CG PRO A 23 -22.784 22.039 3.830 1.00 81.96 C +ATOM 146 CD PRO A 23 -21.714 21.009 3.537 1.00 83.86 C +HETATM 147 N HYP A 24 -25.609 20.759 0.915 1.00 87.16 N +HETATM 148 CA HYP A 24 -26.046 21.286 -0.351 1.00 88.43 C +HETATM 149 C HYP A 24 -25.965 22.794 -0.330 1.00 88.89 C +HETATM 150 O HYP A 24 -26.839 23.520 0.164 1.00 89.36 O +HETATM 151 CB HYP A 24 -27.564 20.898 -0.420 1.00 88.92 C +HETATM 152 CG HYP A 24 -27.725 19.784 0.532 1.00 86.02 C +HETATM 153 CD HYP A 24 -26.666 20.035 1.606 1.00 89.06 C +HETATM 154 OD1 HYP A 24 -27.427 18.579 -0.114 1.00 84.99 O +HETATM 155 OXT HYP A 24 -24.894 23.191 -0.738 1.00 83.79 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_33.txt b/protein_pdb_33.txt new file mode 100644 index 0000000000000000000000000000000000000000..66048ab1d40be27c639c7d6b2a6a3fc178d9a636 --- /dev/null +++ b/protein_pdb_33.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 30.254 -17.744 5.496 1.00 84.94 N +ATOM 2 CA GLY A 1 29.306 -18.113 4.448 1.00 88.90 C +ATOM 3 C GLY A 1 28.840 -16.908 3.665 1.00 89.90 C +ATOM 4 O GLY A 1 29.158 -15.767 4.027 1.00 86.32 O +ATOM 5 N PRO A 2 28.083 -17.105 2.605 1.00 88.71 N +ATOM 6 CA PRO A 2 27.589 -15.985 1.801 1.00 91.77 C +ATOM 7 C PRO A 2 26.539 -15.187 2.564 1.00 91.71 C +ATOM 8 O PRO A 2 25.913 -15.682 3.492 1.00 89.72 O +ATOM 9 CB PRO A 2 26.993 -16.662 0.567 1.00 88.84 C +ATOM 10 CG PRO A 2 26.573 -17.997 1.077 1.00 85.57 C +ATOM 11 CD PRO A 2 27.653 -18.391 2.057 1.00 86.94 C +HETATM 12 N HYP A 3 26.429 -13.982 2.196 1.00 94.37 N +HETATM 13 CA HYP A 3 25.367 -13.104 2.753 1.00 92.15 C +HETATM 14 C HYP A 3 24.010 -13.719 2.587 1.00 94.07 C +HETATM 15 O HYP A 3 23.738 -14.407 1.573 1.00 93.49 O +HETATM 16 CB HYP A 3 25.524 -11.815 1.943 1.00 91.90 C +HETATM 17 CG HYP A 3 26.928 -11.805 1.449 1.00 89.87 C +HETATM 18 CD HYP A 3 27.193 -13.292 1.154 1.00 92.78 C +HETATM 19 OD1 HYP A 3 27.817 -11.370 2.424 1.00 90.93 O +ATOM 20 N GLY A 4 23.131 -13.490 3.571 1.00 95.24 N +ATOM 21 CA GLY A 4 21.779 -13.989 3.495 1.00 94.85 C +ATOM 22 C GLY A 4 20.985 -13.252 2.427 1.00 95.02 C +ATOM 23 O GLY A 4 21.438 -12.236 1.894 1.00 94.17 O +ATOM 24 N PRO A 5 19.798 -13.758 2.110 1.00 94.81 N +ATOM 25 CA PRO A 5 18.970 -13.115 1.090 1.00 94.87 C +ATOM 26 C PRO A 5 18.404 -11.795 1.591 1.00 95.00 C +ATOM 27 O PRO A 5 18.309 -11.560 2.792 1.00 93.98 O +ATOM 28 CB PRO A 5 17.877 -14.142 0.829 1.00 92.95 C +ATOM 29 CG PRO A 5 17.753 -14.845 2.139 1.00 91.19 C +ATOM 30 CD PRO A 5 19.173 -14.950 2.643 1.00 93.11 C +HETATM 31 N HYP A 6 18.061 -10.940 0.659 1.00 95.37 N +HETATM 32 CA HYP A 6 17.360 -9.679 1.023 1.00 95.25 C +HETATM 33 C HYP A 6 16.116 -9.932 1.785 1.00 95.39 C +HETATM 34 O HYP A 6 15.455 -10.967 1.563 1.00 93.83 O +HETATM 35 CB HYP A 6 17.126 -9.045 -0.369 1.00 93.83 C +HETATM 36 CG HYP A 6 18.202 -9.597 -1.258 1.00 92.21 C +HETATM 37 CD HYP A 6 18.339 -11.040 -0.748 1.00 93.85 C +HETATM 38 OD1 HYP A 6 19.403 -8.906 -1.102 1.00 90.70 O +ATOM 39 N GLY A 7 15.748 -9.032 2.713 1.00 95.81 N +ATOM 40 CA GLY A 7 14.548 -9.166 3.495 1.00 95.36 C +ATOM 41 C GLY A 7 13.310 -9.043 2.624 1.00 95.70 C +ATOM 42 O GLY A 7 13.391 -8.649 1.461 1.00 95.16 O +ATOM 43 N PRO A 8 12.154 -9.367 3.197 1.00 93.70 N +ATOM 44 CA PRO A 8 10.911 -9.277 2.438 1.00 93.86 C +ATOM 45 C PRO A 8 10.506 -7.828 2.205 1.00 94.11 C +ATOM 46 O PRO A 8 10.937 -6.931 2.921 1.00 93.08 O +ATOM 47 CB PRO A 8 9.908 -10.008 3.320 1.00 92.20 C +ATOM 48 CG PRO A 8 10.439 -9.778 4.696 1.00 90.89 C +ATOM 49 CD PRO A 8 11.943 -9.868 4.540 1.00 92.01 C +HETATM 50 N HYP A 9 9.698 -7.589 1.225 1.00 94.68 N +HETATM 51 CA HYP A 9 9.121 -6.280 0.962 1.00 94.19 C +HETATM 52 C HYP A 9 8.326 -5.789 2.140 1.00 96.09 C +HETATM 53 O HYP A 9 7.720 -6.601 2.844 1.00 93.59 O +HETATM 54 CB HYP A 9 8.187 -6.548 -0.273 1.00 93.49 C +HETATM 55 CG HYP A 9 8.827 -7.708 -0.962 1.00 91.93 C +HETATM 56 CD HYP A 9 9.342 -8.535 0.207 1.00 94.02 C +HETATM 57 OD1 HYP A 9 9.918 -7.293 -1.767 1.00 86.83 O +ATOM 58 N GLY A 10 8.340 -4.503 2.377 1.00 95.90 N +ATOM 59 CA GLY A 10 7.612 -3.917 3.478 1.00 95.15 C +ATOM 60 C GLY A 10 6.114 -4.096 3.299 1.00 95.34 C +ATOM 61 O GLY A 10 5.647 -4.522 2.239 1.00 94.84 O +ATOM 62 N PRO A 11 5.340 -3.745 4.338 1.00 94.14 N +ATOM 63 CA PRO A 11 3.892 -3.887 4.238 1.00 93.53 C +ATOM 64 C PRO A 11 3.283 -2.913 3.236 1.00 93.27 C +ATOM 65 O PRO A 11 3.833 -1.846 2.964 1.00 91.26 O +ATOM 66 CB PRO A 11 3.408 -3.607 5.663 1.00 91.74 C +ATOM 67 CG PRO A 11 4.447 -2.682 6.198 1.00 91.34 C +ATOM 68 CD PRO A 11 5.752 -3.214 5.632 1.00 92.87 C +ATOM 69 N MET A 12 2.140 -3.303 2.689 1.00 91.97 N +ATOM 70 CA MET A 12 1.422 -2.446 1.759 1.00 91.30 C +ATOM 71 C MET A 12 0.977 -1.180 2.493 1.00 91.85 C +ATOM 72 O MET A 12 0.668 -1.233 3.687 1.00 87.39 O +ATOM 73 CB MET A 12 0.214 -3.195 1.186 1.00 86.85 C +ATOM 74 CG MET A 12 -0.519 -2.452 0.082 1.00 81.12 C +ATOM 75 SD MET A 12 -1.814 -3.462 -0.653 1.00 77.01 S +ATOM 76 CE MET A 12 -0.842 -4.696 -1.481 1.00 71.17 C +ATOM 77 N GLY A 13 0.974 -0.075 1.777 1.00 94.86 N +ATOM 78 CA GLY A 13 0.573 1.190 2.364 1.00 94.17 C +ATOM 79 C GLY A 13 -0.891 1.212 2.754 1.00 94.91 C +ATOM 80 O GLY A 13 -1.649 0.302 2.426 1.00 94.62 O +ATOM 81 N PRO A 14 -1.315 2.266 3.469 1.00 94.13 N +ATOM 82 CA PRO A 14 -2.706 2.367 3.897 1.00 94.17 C +ATOM 83 C PRO A 14 -3.632 2.619 2.718 1.00 94.32 C +ATOM 84 O PRO A 14 -3.204 3.076 1.665 1.00 93.37 O +ATOM 85 CB PRO A 14 -2.691 3.551 4.865 1.00 92.65 C +ATOM 86 CG PRO A 14 -1.573 4.398 4.358 1.00 91.57 C +ATOM 87 CD PRO A 14 -0.517 3.400 3.932 1.00 92.71 C +HETATM 88 N HYP A 15 -4.915 2.354 2.896 1.00 94.88 N +HETATM 89 CA HYP A 15 -5.908 2.624 1.882 1.00 93.25 C +HETATM 90 C HYP A 15 -5.974 4.092 1.504 1.00 94.65 C +HETATM 91 O HYP A 15 -5.663 4.968 2.352 1.00 91.99 O +HETATM 92 CB HYP A 15 -7.203 2.194 2.602 1.00 91.40 C +HETATM 93 CG HYP A 15 -6.734 1.142 3.589 1.00 88.83 C +HETATM 94 CD HYP A 15 -5.424 1.702 4.059 1.00 92.86 C +HETATM 95 OD1 HYP A 15 -6.526 -0.100 2.975 1.00 92.15 O +ATOM 96 N GLY A 16 -6.288 4.377 0.302 1.00 96.24 N +ATOM 97 CA GLY A 16 -6.405 5.741 -0.134 1.00 95.49 C +ATOM 98 C GLY A 16 -7.582 6.428 0.547 1.00 95.93 C +ATOM 99 O GLY A 16 -8.360 5.789 1.265 1.00 95.62 O +ATOM 100 N PRO A 17 -7.731 7.738 0.318 1.00 93.62 N +ATOM 101 CA PRO A 17 -8.827 8.477 0.935 1.00 93.46 C +ATOM 102 C PRO A 17 -10.170 8.079 0.357 1.00 93.62 C +ATOM 103 O PRO A 17 -10.256 7.557 -0.746 1.00 92.63 O +ATOM 104 CB PRO A 17 -8.481 9.936 0.623 1.00 91.62 C +ATOM 105 CG PRO A 17 -7.721 9.840 -0.653 1.00 89.74 C +ATOM 106 CD PRO A 17 -6.882 8.592 -0.505 1.00 91.32 C +HETATM 107 N HYP A 18 -11.241 8.360 1.086 1.00 94.45 N +HETATM 108 CA HYP A 18 -12.586 8.075 0.622 1.00 94.07 C +HETATM 109 C HYP A 18 -12.925 8.856 -0.651 1.00 94.85 C +HETATM 110 O HYP A 18 -12.473 10.012 -0.836 1.00 93.32 O +HETATM 111 CB HYP A 18 -13.446 8.555 1.778 1.00 93.11 C +HETATM 112 CG HYP A 18 -12.575 8.455 2.990 1.00 93.07 C +HETATM 113 CD HYP A 18 -11.210 8.827 2.450 1.00 93.22 C +HETATM 114 OD1 HYP A 18 -12.523 7.141 3.486 1.00 92.45 O +ATOM 115 N GLY A 19 -13.668 8.229 -1.524 1.00 93.52 N +ATOM 116 CA GLY A 19 -14.062 8.865 -2.753 1.00 93.16 C +ATOM 117 C GLY A 19 -15.019 10.013 -2.471 1.00 93.72 C +ATOM 118 O GLY A 19 -15.473 10.207 -1.339 1.00 93.31 O +ATOM 119 N PRO A 20 -15.361 10.789 -3.509 1.00 91.31 N +ATOM 120 CA PRO A 20 -16.271 11.915 -3.329 1.00 91.28 C +ATOM 121 C PRO A 20 -17.697 11.444 -3.071 1.00 91.21 C +ATOM 122 O PRO A 20 -18.049 10.307 -3.374 1.00 90.26 O +ATOM 123 CB PRO A 20 -16.151 12.673 -4.655 1.00 88.34 C +ATOM 124 CG PRO A 20 -15.789 11.610 -5.625 1.00 85.49 C +ATOM 125 CD PRO A 20 -14.870 10.681 -4.875 1.00 88.04 C +HETATM 126 N HYP A 21 -18.557 12.322 -2.509 1.00 94.66 N +HETATM 127 CA HYP A 21 -19.927 11.986 -2.270 1.00 92.59 C +HETATM 128 C HYP A 21 -20.695 11.653 -3.539 1.00 95.49 C +HETATM 129 O HYP A 21 -20.385 12.233 -4.616 1.00 92.49 O +HETATM 130 CB HYP A 21 -20.531 13.290 -1.674 1.00 93.34 C +HETATM 131 CG HYP A 21 -19.344 13.999 -1.051 1.00 92.22 C +HETATM 132 CD HYP A 21 -18.197 13.645 -1.993 1.00 93.12 C +HETATM 133 OD1 HYP A 21 -19.059 13.477 0.242 1.00 90.96 O +ATOM 134 N GLY A 22 -21.589 10.685 -3.489 1.00 89.64 N +ATOM 135 CA GLY A 22 -22.369 10.298 -4.631 1.00 89.18 C +ATOM 136 C GLY A 22 -23.301 11.425 -5.046 1.00 89.50 C +ATOM 137 O GLY A 22 -23.473 12.408 -4.322 1.00 88.54 O +ATOM 138 N PRO A 23 -23.968 11.289 -6.209 1.00 90.33 N +ATOM 139 CA PRO A 23 -24.875 12.328 -6.685 1.00 90.78 C +ATOM 140 C PRO A 23 -26.142 12.362 -5.851 1.00 90.34 C +ATOM 141 O PRO A 23 -26.521 11.377 -5.223 1.00 87.12 O +ATOM 142 CB PRO A 23 -25.148 11.924 -8.133 1.00 87.04 C +ATOM 143 CG PRO A 23 -25.007 10.443 -8.098 1.00 83.47 C +ATOM 144 CD PRO A 23 -23.860 10.184 -7.157 1.00 85.89 C +HETATM 145 N HYP A 24 -26.880 13.479 -5.856 1.00 91.59 N +HETATM 146 CA HYP A 24 -28.111 13.517 -5.120 1.00 88.61 C +HETATM 147 C HYP A 24 -29.155 12.613 -5.758 1.00 90.76 C +HETATM 148 O HYP A 24 -29.071 12.418 -6.983 1.00 90.75 O +HETATM 149 CB HYP A 24 -28.637 15.006 -5.296 1.00 91.14 C +HETATM 150 CG HYP A 24 -27.459 15.817 -5.727 1.00 90.32 C +HETATM 151 CD HYP A 24 -26.538 14.788 -6.454 1.00 90.05 C +HETATM 152 OD1 HYP A 24 -26.767 16.274 -4.561 1.00 85.95 O +HETATM 153 OXT HYP A 24 -30.040 12.163 -5.027 1.00 83.97 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_330.txt b/protein_pdb_330.txt new file mode 100644 index 0000000000000000000000000000000000000000..9a855fe86ae1d8b6cbb27d086bc7f54716eb6aa6 --- /dev/null +++ b/protein_pdb_330.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -8.609 13.164 -2.055 1.00 87.84 N +ATOM 2 CA GLY A 1 -9.219 11.964 -2.611 1.00 89.40 C +ATOM 3 C GLY A 1 -9.231 10.846 -1.606 1.00 90.80 C +ATOM 4 O GLY A 1 -8.812 11.029 -0.465 1.00 88.16 O +ATOM 5 N PRO A 2 -9.675 9.658 -2.008 1.00 90.31 N +ATOM 6 CA PRO A 2 -9.756 8.533 -1.090 1.00 91.37 C +ATOM 7 C PRO A 2 -8.385 7.994 -0.730 1.00 91.71 C +ATOM 8 O PRO A 2 -7.400 8.240 -1.416 1.00 89.44 O +ATOM 9 CB PRO A 2 -10.566 7.506 -1.870 1.00 88.88 C +ATOM 10 CG PRO A 2 -10.282 7.824 -3.290 1.00 84.80 C +ATOM 11 CD PRO A 2 -10.162 9.321 -3.339 1.00 86.12 C +HETATM 12 N HYP A 3 -8.349 7.287 0.329 1.00 90.47 N +HETATM 13 CA HYP A 3 -7.116 6.605 0.739 1.00 90.25 C +HETATM 14 C HYP A 3 -6.641 5.621 -0.322 1.00 91.07 C +HETATM 15 O HYP A 3 -7.479 5.046 -1.051 1.00 92.47 O +HETATM 16 CB HYP A 3 -7.554 5.865 2.027 1.00 90.27 C +HETATM 17 CG HYP A 3 -8.697 6.716 2.577 1.00 85.95 C +HETATM 18 CD HYP A 3 -9.435 7.150 1.270 1.00 89.56 C +HETATM 19 OD1 HYP A 3 -8.164 7.847 3.209 1.00 89.82 O +ATOM 20 N GLY A 4 -5.348 5.493 -0.425 1.00 92.94 N +ATOM 21 CA GLY A 4 -4.789 4.550 -1.355 1.00 92.15 C +ATOM 22 C GLY A 4 -5.042 3.127 -0.919 1.00 92.22 C +ATOM 23 O GLY A 4 -5.538 2.871 0.179 1.00 92.47 O +ATOM 24 N PRO A 5 -4.701 2.173 -1.782 1.00 93.91 N +ATOM 25 CA PRO A 5 -4.910 0.769 -1.453 1.00 93.07 C +ATOM 26 C PRO A 5 -3.943 0.293 -0.385 1.00 92.70 C +ATOM 27 O PRO A 5 -2.928 0.925 -0.125 1.00 91.73 O +ATOM 28 CB PRO A 5 -4.671 0.067 -2.784 1.00 92.27 C +ATOM 29 CG PRO A 5 -3.703 0.955 -3.485 1.00 90.21 C +ATOM 30 CD PRO A 5 -4.092 2.346 -3.096 1.00 91.70 C +HETATM 31 N HYP A 6 -4.295 -0.842 0.223 1.00 92.37 N +HETATM 32 CA HYP A 6 -3.391 -1.442 1.169 1.00 94.85 C +HETATM 33 C HYP A 6 -2.045 -1.772 0.558 1.00 94.29 C +HETATM 34 O HYP A 6 -1.978 -2.093 -0.660 1.00 93.98 O +HETATM 35 CB HYP A 6 -4.145 -2.687 1.648 1.00 91.35 C +HETATM 36 CG HYP A 6 -5.615 -2.342 1.467 1.00 89.74 C +HETATM 37 CD HYP A 6 -5.584 -1.521 0.167 1.00 91.68 C +HETATM 38 OD1 HYP A 6 -6.036 -1.525 2.535 1.00 90.45 O +ATOM 39 N GLY A 7 -1.003 -1.637 1.317 1.00 93.31 N +ATOM 40 CA GLY A 7 0.314 -1.949 0.844 1.00 92.86 C +ATOM 41 C GLY A 7 0.486 -3.436 0.609 1.00 93.30 C +ATOM 42 O GLY A 7 -0.383 -4.245 0.942 1.00 93.31 O +ATOM 43 N PRO A 8 1.623 -3.807 0.044 1.00 94.40 N +ATOM 44 CA PRO A 8 1.893 -5.215 -0.210 1.00 93.86 C +ATOM 45 C PRO A 8 2.018 -6.003 1.082 1.00 94.31 C +ATOM 46 O PRO A 8 2.311 -5.447 2.137 1.00 93.25 O +ATOM 47 CB PRO A 8 3.222 -5.209 -0.958 1.00 92.37 C +ATOM 48 CG PRO A 8 3.392 -3.810 -1.423 1.00 91.07 C +ATOM 49 CD PRO A 8 2.695 -2.955 -0.427 1.00 92.94 C +HETATM 50 N HYP A 9 1.815 -7.345 0.995 1.00 91.28 N +HETATM 51 CA HYP A 9 2.021 -8.159 2.114 1.00 94.49 C +HETATM 52 C HYP A 9 3.457 -8.134 2.592 1.00 92.99 C +HETATM 53 O HYP A 9 4.379 -7.956 1.775 1.00 92.98 O +HETATM 54 CB HYP A 9 1.659 -9.599 1.646 1.00 90.12 C +HETATM 55 CG HYP A 9 0.716 -9.390 0.521 1.00 89.24 C +HETATM 56 CD HYP A 9 1.210 -8.110 -0.135 1.00 91.95 C +HETATM 57 OD1 HYP A 9 -0.568 -9.183 1.069 1.00 88.50 O +ATOM 58 N GLY A 10 3.683 -8.263 3.854 1.00 92.60 N +ATOM 59 CA GLY A 10 5.015 -8.416 4.379 1.00 91.15 C +ATOM 60 C GLY A 10 5.572 -9.763 3.965 1.00 91.54 C +ATOM 61 O GLY A 10 5.050 -10.413 3.061 1.00 90.54 O +ATOM 62 N LYS A 11 6.627 -10.195 4.647 1.00 92.36 N +ATOM 63 CA LYS A 11 7.227 -11.479 4.285 1.00 93.28 C +ATOM 64 C LYS A 11 6.211 -12.614 4.316 1.00 93.44 C +ATOM 65 O LYS A 11 6.277 -13.531 3.490 1.00 91.35 O +ATOM 66 CB LYS A 11 8.413 -11.780 5.204 1.00 91.10 C +ATOM 67 CG LYS A 11 9.535 -10.772 5.041 1.00 87.74 C +ATOM 68 CD LYS A 11 10.809 -11.216 5.712 1.00 82.93 C +ATOM 69 CE LYS A 11 11.910 -10.193 5.495 1.00 79.24 C +ATOM 70 NZ LYS A 11 13.249 -10.773 5.698 1.00 73.38 N +ATOM 71 N SER A 12 5.278 -12.546 5.250 1.00 94.14 N +ATOM 72 CA SER A 12 4.184 -13.509 5.335 1.00 94.60 C +ATOM 73 C SER A 12 2.939 -12.871 5.917 1.00 95.45 C +ATOM 74 O SER A 12 1.918 -13.544 6.100 1.00 91.52 O +ATOM 75 CB SER A 12 4.597 -14.714 6.193 1.00 91.81 C +ATOM 76 OG SER A 12 4.881 -14.303 7.514 1.00 85.29 O +ATOM 77 N GLY A 13 3.019 -11.599 6.217 1.00 95.72 N +ATOM 78 CA GLY A 13 1.959 -10.917 6.924 1.00 95.30 C +ATOM 79 C GLY A 13 0.913 -10.283 6.038 1.00 95.78 C +ATOM 80 O GLY A 13 0.916 -10.453 4.817 1.00 95.16 O +ATOM 81 N PRO A 14 0.004 -9.566 6.660 1.00 95.53 N +ATOM 82 CA PRO A 14 -1.100 -8.941 5.951 1.00 95.17 C +ATOM 83 C PRO A 14 -0.650 -7.738 5.136 1.00 95.42 C +ATOM 84 O PRO A 14 0.471 -7.261 5.270 1.00 94.05 O +ATOM 85 CB PRO A 14 -2.045 -8.518 7.075 1.00 93.73 C +ATOM 86 CG PRO A 14 -1.129 -8.245 8.213 1.00 92.06 C +ATOM 87 CD PRO A 14 -0.040 -9.272 8.099 1.00 93.71 C +HETATM 88 N HYP A 15 -1.568 -7.283 4.300 1.00 93.68 N +HETATM 89 CA HYP A 15 -1.320 -6.075 3.566 1.00 93.65 C +HETATM 90 C HYP A 15 -0.999 -4.923 4.468 1.00 94.45 C +HETATM 91 O HYP A 15 -1.510 -4.889 5.625 1.00 94.08 O +HETATM 92 CB HYP A 15 -2.628 -5.891 2.795 1.00 91.31 C +HETATM 93 CG HYP A 15 -3.186 -7.284 2.607 1.00 89.67 C +HETATM 94 CD HYP A 15 -2.832 -7.951 3.943 1.00 92.32 C +HETATM 95 OD1 HYP A 15 -2.547 -7.913 1.545 1.00 90.99 O +ATOM 96 N GLY A 16 -0.193 -4.018 4.000 1.00 95.94 N +ATOM 97 CA GLY A 16 0.092 -2.832 4.757 1.00 95.59 C +ATOM 98 C GLY A 16 -1.122 -1.936 4.847 1.00 95.73 C +ATOM 99 O GLY A 16 -2.166 -2.213 4.247 1.00 95.52 O +ATOM 100 N PRO A 17 -0.984 -0.847 5.603 1.00 94.22 N +ATOM 101 CA PRO A 17 -2.104 0.070 5.767 1.00 93.56 C +ATOM 102 C PRO A 17 -2.435 0.806 4.478 1.00 93.62 C +ATOM 103 O PRO A 17 -1.632 0.862 3.551 1.00 91.96 O +ATOM 104 CB PRO A 17 -1.615 1.025 6.849 1.00 92.76 C +ATOM 105 CG PRO A 17 -0.147 0.954 6.774 1.00 91.27 C +ATOM 106 CD PRO A 17 0.191 -0.436 6.347 1.00 92.96 C +HETATM 107 N HYP A 18 -3.658 1.355 4.407 1.00 91.95 N +HETATM 108 CA HYP A 18 -4.034 2.147 3.293 1.00 91.77 C +HETATM 109 C HYP A 18 -3.129 3.322 3.051 1.00 93.15 C +HETATM 110 O HYP A 18 -2.563 3.867 4.036 1.00 92.89 O +HETATM 111 CB HYP A 18 -5.467 2.612 3.648 1.00 88.77 C +HETATM 112 CG HYP A 18 -6.004 1.509 4.548 1.00 88.08 C +HETATM 113 CD HYP A 18 -4.775 1.124 5.343 1.00 91.79 C +HETATM 114 OD1 HYP A 18 -6.442 0.426 3.758 1.00 89.28 O +ATOM 115 N GLY A 19 -2.945 3.668 1.838 1.00 92.52 N +ATOM 116 CA GLY A 19 -2.143 4.811 1.508 1.00 92.26 C +ATOM 117 C GLY A 19 -2.776 6.084 2.017 1.00 92.62 C +ATOM 118 O GLY A 19 -3.908 6.091 2.499 1.00 92.88 O +ATOM 119 N PRO A 20 -2.035 7.184 1.914 1.00 88.71 N +ATOM 120 CA PRO A 20 -2.548 8.452 2.396 1.00 88.48 C +ATOM 121 C PRO A 20 -3.683 8.964 1.525 1.00 88.51 C +ATOM 122 O PRO A 20 -3.843 8.554 0.381 1.00 88.68 O +ATOM 123 CB PRO A 20 -1.331 9.371 2.311 1.00 87.03 C +ATOM 124 CG PRO A 20 -0.515 8.780 1.218 1.00 83.89 C +ATOM 125 CD PRO A 20 -0.702 7.303 1.339 1.00 85.07 C +HETATM 126 N HYP A 21 -4.468 9.843 2.089 1.00 89.86 N +HETATM 127 CA HYP A 21 -5.502 10.489 1.338 1.00 89.69 C +HETATM 128 C HYP A 21 -4.997 11.264 0.156 1.00 89.59 C +HETATM 129 O HYP A 21 -3.873 11.795 0.236 1.00 93.03 O +HETATM 130 CB HYP A 21 -6.166 11.442 2.351 1.00 88.09 C +HETATM 131 CG HYP A 21 -5.862 10.833 3.711 1.00 84.58 C +HETATM 132 CD HYP A 21 -4.481 10.252 3.504 1.00 90.60 C +HETATM 133 OD1 HYP A 21 -6.774 9.776 3.974 1.00 85.56 O +ATOM 134 N GLY A 22 -5.675 11.242 -0.921 1.00 91.54 N +ATOM 135 CA GLY A 22 -5.306 12.052 -2.042 1.00 89.38 C +ATOM 136 C GLY A 22 -5.547 13.518 -1.730 1.00 89.20 C +ATOM 137 O GLY A 22 -6.030 13.863 -0.651 1.00 89.32 O +ATOM 138 N PRO A 23 -5.240 14.408 -2.662 1.00 92.83 N +ATOM 139 CA PRO A 23 -5.474 15.831 -2.447 1.00 92.18 C +ATOM 140 C PRO A 23 -6.945 16.109 -2.230 1.00 91.14 C +ATOM 141 O PRO A 23 -7.802 15.342 -2.660 1.00 88.45 O +ATOM 142 CB PRO A 23 -4.982 16.478 -3.740 1.00 90.15 C +ATOM 143 CG PRO A 23 -4.072 15.467 -4.335 1.00 87.07 C +ATOM 144 CD PRO A 23 -4.636 14.144 -3.954 1.00 89.45 C +HETATM 145 N HYP A 24 -7.279 17.179 -1.592 1.00 92.19 N +HETATM 146 CA HYP A 24 -8.701 17.455 -1.487 1.00 84.31 C +HETATM 147 C HYP A 24 -9.401 17.155 -2.737 1.00 87.86 C +HETATM 148 O HYP A 24 -9.553 18.035 -3.580 1.00 85.48 O +HETATM 149 CB HYP A 24 -8.786 18.865 -0.958 1.00 87.50 C +HETATM 150 CG HYP A 24 -7.447 19.141 -0.306 1.00 85.63 C +HETATM 151 CD HYP A 24 -6.460 18.264 -1.090 1.00 89.52 C +HETATM 152 OD1 HYP A 24 -7.461 18.692 1.046 1.00 86.36 O +HETATM 153 OXT HYP A 24 -9.775 15.983 -2.849 1.00 85.20 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_331.txt b/protein_pdb_331.txt new file mode 100644 index 0000000000000000000000000000000000000000..f23f59fc13944515c6f689b24d95b7344a83e242 --- /dev/null +++ b/protein_pdb_331.txt @@ -0,0 +1,175 @@ +ATOM 1 N GLY A 1 11.975 -5.022 35.931 1.00 80.84 N +ATOM 2 CA GLY A 1 12.936 -5.011 34.838 1.00 84.23 C +ATOM 3 C GLY A 1 12.709 -3.832 33.912 1.00 84.80 C +ATOM 4 O GLY A 1 11.695 -3.146 34.008 1.00 82.25 O +ATOM 5 N PRO A 2 13.646 -3.574 33.021 1.00 84.23 N +ATOM 6 CA PRO A 2 13.500 -2.456 32.084 1.00 87.49 C +ATOM 7 C PRO A 2 12.381 -2.717 31.084 1.00 87.61 C +ATOM 8 O PRO A 2 12.003 -3.853 30.835 1.00 85.89 O +ATOM 9 CB PRO A 2 14.863 -2.389 31.388 1.00 85.01 C +ATOM 10 CG PRO A 2 15.377 -3.780 31.482 1.00 82.14 C +ATOM 11 CD PRO A 2 14.884 -4.314 32.803 1.00 83.28 C +HETATM 12 N HYP A 3 11.879 -1.690 30.587 1.00 85.95 N +HETATM 13 CA HYP A 3 10.855 -1.759 29.494 1.00 83.47 C +HETATM 14 C HYP A 3 11.389 -2.509 28.306 1.00 84.16 C +HETATM 15 O HYP A 3 12.569 -2.430 27.952 1.00 86.68 O +HETATM 16 CB HYP A 3 10.606 -0.298 29.204 1.00 82.43 C +HETATM 17 CG HYP A 3 10.949 0.439 30.482 1.00 81.61 C +HETATM 18 CD HYP A 3 12.179 -0.354 30.979 1.00 84.61 C +HETATM 19 OD1 HYP A 3 9.939 0.298 31.462 1.00 85.40 O +ATOM 20 N GLY A 4 10.474 -3.306 27.688 1.00 88.53 N +ATOM 21 CA GLY A 4 10.839 -4.053 26.508 1.00 87.68 C +ATOM 22 C GLY A 4 11.086 -3.132 25.324 1.00 87.83 C +ATOM 23 O GLY A 4 10.722 -1.950 25.352 1.00 87.04 O +ATOM 24 N PRO A 5 11.712 -3.656 24.280 1.00 86.54 N +ATOM 25 CA PRO A 5 11.980 -2.841 23.092 1.00 87.25 C +ATOM 26 C PRO A 5 10.694 -2.546 22.335 1.00 86.91 C +ATOM 27 O PRO A 5 9.695 -3.235 22.481 1.00 85.78 O +ATOM 28 CB PRO A 5 12.934 -3.712 22.270 1.00 85.14 C +ATOM 29 CG PRO A 5 12.547 -5.100 22.655 1.00 83.02 C +ATOM 30 CD PRO A 5 12.186 -5.031 24.117 1.00 84.29 C +HETATM 31 N HYP A 6 10.732 -1.499 21.556 1.00 87.05 N +HETATM 32 CA HYP A 6 9.614 -1.228 20.629 1.00 89.85 C +HETATM 33 C HYP A 6 9.355 -2.394 19.731 1.00 86.49 C +HETATM 34 O HYP A 6 10.262 -3.123 19.352 1.00 87.01 O +HETATM 35 CB HYP A 6 10.095 0.027 19.902 1.00 87.86 C +HETATM 36 CG HYP A 6 10.988 0.719 20.901 1.00 86.63 C +HETATM 37 CD HYP A 6 11.701 -0.457 21.554 1.00 86.37 C +HETATM 38 OD1 HYP A 6 10.245 1.407 21.871 1.00 85.85 O +ATOM 39 N GLY A 7 8.063 -2.575 19.364 1.00 90.61 N +ATOM 40 CA GLY A 7 7.666 -3.646 18.482 1.00 89.76 C +ATOM 41 C GLY A 7 8.283 -3.500 17.105 1.00 89.94 C +ATOM 42 O GLY A 7 8.840 -2.451 16.755 1.00 88.80 O +ATOM 43 N PRO A 8 8.190 -4.552 16.308 1.00 87.64 N +ATOM 44 CA PRO A 8 8.747 -4.502 14.957 1.00 87.37 C +ATOM 45 C PRO A 8 7.960 -3.556 14.066 1.00 87.50 C +ATOM 46 O PRO A 8 6.813 -3.224 14.343 1.00 85.28 O +ATOM 47 CB PRO A 8 8.639 -5.942 14.472 1.00 84.69 C +ATOM 48 CG PRO A 8 7.463 -6.468 15.219 1.00 84.28 C +ATOM 49 CD PRO A 8 7.531 -5.817 16.580 1.00 85.66 C +HETATM 50 N HYP A 9 8.570 -3.099 12.998 1.00 87.49 N +HETATM 51 CA HYP A 9 7.879 -2.307 12.011 1.00 89.17 C +HETATM 52 C HYP A 9 6.682 -3.034 11.489 1.00 87.98 C +HETATM 53 O HYP A 9 6.682 -4.277 11.383 1.00 85.69 O +HETATM 54 CB HYP A 9 8.968 -2.173 10.931 1.00 86.64 C +HETATM 55 CG HYP A 9 10.236 -2.224 11.687 1.00 84.69 C +HETATM 56 CD HYP A 9 9.940 -3.292 12.715 1.00 86.27 C +HETATM 57 OD1 HYP A 9 10.503 -0.992 12.357 1.00 85.09 O +ATOM 58 N GLY A 10 5.640 -2.252 11.147 1.00 89.81 N +ATOM 59 CA GLY A 10 4.448 -2.823 10.573 1.00 88.57 C +ATOM 60 C GLY A 10 4.727 -3.452 9.223 1.00 89.21 C +ATOM 61 O GLY A 10 5.796 -3.256 8.636 1.00 87.98 O +ATOM 62 N PRO A 11 3.766 -4.205 8.702 1.00 89.13 N +ATOM 63 CA PRO A 11 3.950 -4.836 7.397 1.00 88.75 C +ATOM 64 C PRO A 11 3.975 -3.793 6.286 1.00 88.80 C +ATOM 65 O PRO A 11 3.510 -2.675 6.458 1.00 86.57 O +ATOM 66 CB PRO A 11 2.741 -5.754 7.272 1.00 86.59 C +ATOM 67 CG PRO A 11 1.706 -5.090 8.119 1.00 86.48 C +ATOM 68 CD PRO A 11 2.461 -4.487 9.267 1.00 87.12 C +HETATM 69 N HYP A 12 4.543 -4.158 5.119 1.00 89.35 N +HETATM 70 CA HYP A 12 4.508 -3.274 3.989 1.00 89.46 C +HETATM 71 C HYP A 12 3.120 -2.809 3.668 1.00 90.31 C +HETATM 72 O HYP A 12 2.147 -3.587 3.869 1.00 85.78 O +HETATM 73 CB HYP A 12 5.112 -4.144 2.864 1.00 86.39 C +HETATM 74 CG HYP A 12 6.025 -5.070 3.588 1.00 84.66 C +HETATM 75 CD HYP A 12 5.245 -5.360 4.874 1.00 88.32 C +HETATM 76 OD1 HYP A 12 7.224 -4.416 3.933 1.00 85.18 O +ATOM 77 N ALA A 13 3.040 -1.527 3.189 1.00 90.77 N +ATOM 78 CA ALA A 13 1.759 -0.977 2.806 1.00 90.49 C +ATOM 79 C ALA A 13 1.179 -1.798 1.660 1.00 90.79 C +ATOM 80 O ALA A 13 1.923 -2.387 0.866 1.00 89.47 O +ATOM 81 CB ALA A 13 1.917 0.472 2.376 1.00 87.75 C +ATOM 82 N PRO A 14 -0.149 -1.853 1.564 1.00 90.10 N +ATOM 83 CA PRO A 14 -0.762 -2.604 0.470 1.00 90.36 C +ATOM 84 C PRO A 14 -0.495 -1.935 -0.872 1.00 90.40 C +ATOM 85 O PRO A 14 -0.193 -0.751 -0.935 1.00 88.67 O +ATOM 86 CB PRO A 14 -2.247 -2.588 0.818 1.00 88.61 C +ATOM 87 CG PRO A 14 -2.416 -1.376 1.663 1.00 87.51 C +ATOM 88 CD PRO A 14 -1.142 -1.246 2.442 1.00 87.85 C +HETATM 89 N HYP A 15 -0.571 -2.702 -1.956 1.00 89.26 N +HETATM 90 CA HYP A 15 -0.483 -2.136 -3.300 1.00 88.49 C +HETATM 91 C HYP A 15 -1.460 -1.028 -3.540 1.00 87.79 C +HETATM 92 O HYP A 15 -2.559 -1.019 -2.970 1.00 86.88 O +HETATM 93 CB HYP A 15 -0.817 -3.372 -4.147 1.00 86.00 C +HETATM 94 CG HYP A 15 -0.354 -4.522 -3.308 1.00 81.96 C +HETATM 95 CD HYP A 15 -0.730 -4.095 -1.921 1.00 86.70 C +HETATM 96 OD1 HYP A 15 1.049 -4.674 -3.375 1.00 85.76 O +ATOM 97 N GLY A 16 -1.041 -0.051 -4.320 1.00 90.42 N +ATOM 98 CA GLY A 16 -1.917 1.038 -4.673 1.00 89.28 C +ATOM 99 C GLY A 16 -3.111 0.532 -5.460 1.00 90.43 C +ATOM 100 O GLY A 16 -3.139 -0.607 -5.926 1.00 90.56 O +ATOM 101 N PRO A 17 -4.118 1.388 -5.617 1.00 87.21 N +ATOM 102 CA PRO A 17 -5.302 0.993 -6.364 1.00 88.07 C +ATOM 103 C PRO A 17 -5.009 0.863 -7.848 1.00 87.93 C +ATOM 104 O PRO A 17 -4.049 1.436 -8.353 1.00 86.88 O +ATOM 105 CB PRO A 17 -6.291 2.127 -6.088 1.00 87.05 C +ATOM 106 CG PRO A 17 -5.407 3.300 -5.839 1.00 85.74 C +ATOM 107 CD PRO A 17 -4.206 2.752 -5.122 1.00 86.09 C +HETATM 108 N HYP A 18 -5.816 0.100 -8.592 1.00 88.16 N +HETATM 109 CA HYP A 18 -5.735 0.050 -10.009 1.00 88.47 C +HETATM 110 C HYP A 18 -5.911 1.406 -10.667 1.00 88.98 C +HETATM 111 O HYP A 18 -6.590 2.286 -10.126 1.00 89.27 O +HETATM 112 CB HYP A 18 -6.906 -0.886 -10.371 1.00 87.09 C +HETATM 113 CG HYP A 18 -7.014 -1.776 -9.178 1.00 83.48 C +HETATM 114 CD HYP A 18 -6.756 -0.815 -8.060 1.00 88.30 C +HETATM 115 OD1 HYP A 18 -6.024 -2.778 -9.155 1.00 87.79 O +ATOM 116 N GLY A 19 -5.235 1.601 -11.773 1.00 91.30 N +ATOM 117 CA GLY A 19 -5.380 2.824 -12.523 1.00 90.09 C +ATOM 118 C GLY A 19 -6.797 2.991 -13.040 1.00 91.14 C +ATOM 119 O GLY A 19 -7.613 2.064 -12.974 1.00 90.61 O +ATOM 120 N PRO A 20 -7.097 4.163 -13.565 1.00 87.92 N +ATOM 121 CA PRO A 20 -8.444 4.413 -14.073 1.00 88.06 C +ATOM 122 C PRO A 20 -8.720 3.615 -15.336 1.00 87.60 C +ATOM 123 O PRO A 20 -7.805 3.209 -16.042 1.00 86.07 O +ATOM 124 CB PRO A 20 -8.433 5.915 -14.348 1.00 86.48 C +ATOM 125 CG PRO A 20 -7.009 6.218 -14.622 1.00 84.96 C +ATOM 126 CD PRO A 20 -6.223 5.307 -13.712 1.00 86.04 C +HETATM 127 N HYP A 21 -9.986 3.369 -15.637 1.00 90.98 N +HETATM 128 CA HYP A 21 -10.398 2.744 -16.870 1.00 89.57 C +HETATM 129 C HYP A 21 -9.878 3.497 -18.081 1.00 91.96 C +HETATM 130 O HYP A 21 -9.751 4.735 -18.037 1.00 91.01 O +HETATM 131 CB HYP A 21 -11.931 2.803 -16.780 1.00 90.47 C +HETATM 132 CG HYP A 21 -12.205 2.786 -15.330 1.00 89.61 C +HETATM 133 CD HYP A 21 -11.084 3.633 -14.770 1.00 90.99 C +HETATM 134 OD1 HYP A 21 -12.065 1.479 -14.791 1.00 89.24 O +ATOM 135 N GLY A 22 -9.618 2.784 -19.156 1.00 91.92 N +ATOM 136 CA GLY A 22 -9.236 3.397 -20.400 1.00 90.87 C +ATOM 137 C GLY A 22 -10.379 4.223 -20.974 1.00 91.23 C +ATOM 138 O GLY A 22 -11.514 4.168 -20.491 1.00 90.53 O +ATOM 139 N PRO A 23 -10.096 4.981 -22.027 1.00 89.60 N +ATOM 140 CA PRO A 23 -11.135 5.805 -22.631 1.00 88.99 C +ATOM 141 C PRO A 23 -12.158 4.959 -23.366 1.00 88.70 C +ATOM 142 O PRO A 23 -11.888 3.825 -23.744 1.00 87.05 O +ATOM 143 CB PRO A 23 -10.354 6.703 -23.588 1.00 86.47 C +ATOM 144 CG PRO A 23 -9.152 5.893 -23.932 1.00 84.51 C +ATOM 145 CD PRO A 23 -8.809 5.126 -22.684 1.00 86.37 C +HETATM 146 N HYP A 24 -13.363 5.495 -23.611 1.00 91.78 N +HETATM 147 CA HYP A 24 -14.356 4.830 -24.357 1.00 91.15 C +HETATM 148 C HYP A 24 -13.912 4.528 -25.798 1.00 93.07 C +HETATM 149 O HYP A 24 -13.107 5.274 -26.360 1.00 89.86 O +HETATM 150 CB HYP A 24 -15.495 5.883 -24.439 1.00 91.68 C +HETATM 151 CG HYP A 24 -15.322 6.682 -23.201 1.00 90.84 C +HETATM 152 CD HYP A 24 -13.800 6.746 -23.042 1.00 91.33 C +HETATM 153 OD1 HYP A 24 -15.834 6.005 -22.063 1.00 88.93 O +ATOM 154 N GLY A 25 -14.427 3.446 -26.350 1.00 87.62 N +ATOM 155 CA GLY A 25 -14.168 3.149 -27.740 1.00 86.08 C +ATOM 156 C GLY A 25 -14.837 4.177 -28.645 1.00 86.34 C +ATOM 157 O GLY A 25 -15.574 5.049 -28.185 1.00 84.68 O +ATOM 158 N PRO A 26 -14.601 4.063 -29.962 1.00 84.40 N +ATOM 159 CA PRO A 26 -15.179 5.028 -30.888 1.00 85.25 C +ATOM 160 C PRO A 26 -16.682 4.857 -31.000 1.00 85.00 C +ATOM 161 O PRO A 26 -17.222 3.780 -30.759 1.00 81.45 O +ATOM 162 CB PRO A 26 -14.480 4.714 -32.201 1.00 81.28 C +ATOM 163 CG PRO A 26 -14.129 3.276 -32.087 1.00 78.89 C +ATOM 164 CD PRO A 26 -13.803 3.054 -30.635 1.00 80.76 C +HETATM 165 N HYP A 27 -17.415 5.882 -31.459 1.00 88.27 N +HETATM 166 CA HYP A 27 -18.824 5.732 -31.637 1.00 87.54 C +HETATM 167 C HYP A 27 -19.107 4.729 -32.771 1.00 86.17 C +HETATM 168 O HYP A 27 -18.235 4.631 -33.653 1.00 83.89 O +HETATM 169 CB HYP A 27 -19.345 7.111 -32.104 1.00 87.80 C +HETATM 170 CG HYP A 27 -18.299 8.079 -31.694 1.00 85.12 C +HETATM 171 CD HYP A 27 -17.000 7.254 -31.696 1.00 86.42 C +HETATM 172 OD1 HYP A 27 -18.559 8.458 -30.368 1.00 82.48 O +HETATM 173 OXT HYP A 27 -20.195 4.162 -32.773 1.00 80.09 O +TER 174 HYP A 27 +END diff --git a/protein_pdb_332.txt b/protein_pdb_332.txt new file mode 100644 index 0000000000000000000000000000000000000000..78d43917955277f50fc5ae1c302974340b9056f3 --- /dev/null +++ b/protein_pdb_332.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 12.957 -2.210 -7.646 1.00 90.44 N +ATOM 2 CA GLY A 1 11.808 -1.471 -8.016 1.00 90.53 C +ATOM 3 C GLY A 1 11.326 -0.509 -6.949 1.00 90.93 C +ATOM 4 O GLY A 1 11.740 -0.588 -5.795 1.00 89.26 O +ATOM 5 N PRO A 2 10.456 0.369 -7.327 1.00 89.64 N +ATOM 6 CA PRO A 2 9.914 1.344 -6.398 1.00 89.78 C +ATOM 7 C PRO A 2 8.902 0.715 -5.457 1.00 89.43 C +ATOM 8 O PRO A 2 8.446 -0.407 -5.670 1.00 87.29 O +ATOM 9 CB PRO A 2 9.268 2.370 -7.325 1.00 86.59 C +ATOM 10 CG PRO A 2 8.831 1.541 -8.484 1.00 82.34 C +ATOM 11 CD PRO A 2 9.953 0.557 -8.684 1.00 84.09 C +HETATM 12 N HYP A 3 8.563 1.460 -4.430 1.00 90.37 N +HETATM 13 CA HYP A 3 7.543 0.952 -3.519 1.00 86.96 C +HETATM 14 C HYP A 3 6.216 0.756 -4.208 1.00 90.68 C +HETATM 15 O HYP A 3 5.933 1.449 -5.204 1.00 91.92 O +HETATM 16 CB HYP A 3 7.414 2.145 -2.500 1.00 88.11 C +HETATM 17 CG HYP A 3 8.771 2.815 -2.555 1.00 85.66 C +HETATM 18 CD HYP A 3 9.140 2.694 -4.063 1.00 89.96 C +HETATM 19 OD1 HYP A 3 9.659 2.047 -1.804 1.00 87.12 O +ATOM 20 N GLY A 4 5.480 -0.206 -3.743 1.00 91.40 N +ATOM 21 CA GLY A 4 4.198 -0.482 -4.316 1.00 91.15 C +ATOM 22 C GLY A 4 3.230 0.646 -4.016 1.00 92.01 C +ATOM 23 O GLY A 4 3.533 1.546 -3.238 1.00 91.83 O +ATOM 24 N PRO A 5 2.055 0.610 -4.626 1.00 90.64 N +ATOM 25 CA PRO A 5 1.065 1.656 -4.400 1.00 90.36 C +ATOM 26 C PRO A 5 0.461 1.559 -3.008 1.00 90.34 C +ATOM 27 O PRO A 5 0.546 0.527 -2.350 1.00 88.98 O +ATOM 28 CB PRO A 5 0.027 1.395 -5.484 1.00 88.85 C +ATOM 29 CG PRO A 5 0.114 -0.076 -5.693 1.00 86.83 C +ATOM 30 CD PRO A 5 1.578 -0.381 -5.578 1.00 88.95 C +HETATM 31 N HYP A 6 -0.141 2.672 -2.579 1.00 92.48 N +HETATM 32 CA HYP A 6 -0.823 2.644 -1.303 1.00 93.28 C +HETATM 33 C HYP A 6 -1.944 1.634 -1.289 1.00 92.57 C +HETATM 34 O HYP A 6 -2.561 1.362 -2.347 1.00 92.26 O +HETATM 35 CB HYP A 6 -1.428 4.094 -1.251 1.00 88.30 C +HETATM 36 CG HYP A 6 -0.485 4.914 -2.100 1.00 87.22 C +HETATM 37 CD HYP A 6 -0.163 3.956 -3.237 1.00 91.26 C +HETATM 38 OD1 HYP A 6 0.677 5.183 -1.362 1.00 89.11 O +ATOM 39 N GLY A 7 -2.170 1.047 -0.157 1.00 89.72 N +ATOM 40 CA GLY A 7 -3.218 0.076 -0.023 1.00 88.65 C +ATOM 41 C GLY A 7 -4.573 0.723 -0.196 1.00 89.70 C +ATOM 42 O GLY A 7 -4.689 1.947 -0.278 1.00 89.79 O +ATOM 43 N PRO A 8 -5.610 -0.086 -0.257 1.00 87.94 N +ATOM 44 CA PRO A 8 -6.949 0.452 -0.426 1.00 87.85 C +ATOM 45 C PRO A 8 -7.437 1.163 0.825 1.00 87.72 C +ATOM 46 O PRO A 8 -6.967 0.906 1.926 1.00 86.20 O +ATOM 47 CB PRO A 8 -7.791 -0.784 -0.733 1.00 85.57 C +ATOM 48 CG PRO A 8 -7.067 -1.871 -0.012 1.00 84.00 C +ATOM 49 CD PRO A 8 -5.609 -1.541 -0.200 1.00 85.41 C +HETATM 50 N HYP A 9 -8.421 2.060 0.637 1.00 89.87 N +HETATM 51 CA HYP A 9 -8.989 2.736 1.743 1.00 86.27 C +HETATM 52 C HYP A 9 -9.758 1.786 2.627 1.00 90.08 C +HETATM 53 O HYP A 9 -10.348 0.819 2.138 1.00 89.00 O +HETATM 54 CB HYP A 9 -10.017 3.698 1.061 1.00 83.92 C +HETATM 55 CG HYP A 9 -9.499 3.864 -0.315 1.00 84.47 C +HETATM 56 CD HYP A 9 -8.906 2.551 -0.649 1.00 89.11 C +HETATM 57 OD1 HYP A 9 -8.483 4.837 -0.302 1.00 84.07 O +ATOM 58 N GLY A 10 -9.756 1.999 3.904 1.00 87.28 N +ATOM 59 CA GLY A 10 -10.565 1.226 4.804 1.00 85.25 C +ATOM 60 C GLY A 10 -12.008 1.676 4.666 1.00 86.09 C +ATOM 61 O GLY A 10 -12.304 2.654 3.978 1.00 83.69 O +ATOM 62 N MET A 11 -12.917 0.976 5.335 1.00 90.23 N +ATOM 63 CA MET A 11 -14.325 1.341 5.273 1.00 91.67 C +ATOM 64 C MET A 11 -14.507 2.812 5.666 1.00 91.27 C +ATOM 65 O MET A 11 -15.342 3.514 5.108 1.00 88.65 O +ATOM 66 CB MET A 11 -15.134 0.443 6.186 1.00 89.95 C +ATOM 67 CG MET A 11 -16.616 0.507 5.933 1.00 86.25 C +ATOM 68 SD MET A 11 -17.527 -0.707 6.888 1.00 81.24 S +ATOM 69 CE MET A 11 -16.931 -2.208 6.149 1.00 74.15 C +ATOM 70 N CYS A 12 -13.721 3.259 6.624 1.00 87.10 N +ATOM 71 CA CYS A 12 -13.715 4.661 7.040 1.00 89.92 C +ATOM 72 C CYS A 12 -12.327 4.988 7.573 1.00 90.79 C +ATOM 73 O CYS A 12 -12.158 5.448 8.697 1.00 86.88 O +ATOM 74 CB CYS A 12 -14.807 4.944 8.089 1.00 87.04 C +ATOM 75 SG CYS A 12 -15.184 3.561 9.161 1.00 81.31 S +ATOM 76 N GLY A 13 -11.327 4.727 6.736 1.00 92.17 N +ATOM 77 CA GLY A 13 -9.957 4.945 7.134 1.00 91.44 C +ATOM 78 C GLY A 13 -9.072 5.293 5.960 1.00 92.21 C +ATOM 79 O GLY A 13 -9.497 5.209 4.808 1.00 92.37 O +ATOM 80 N PRO A 14 -7.855 5.691 6.241 1.00 92.11 N +ATOM 81 CA PRO A 14 -6.924 6.077 5.195 1.00 92.28 C +ATOM 82 C PRO A 14 -6.431 4.885 4.395 1.00 92.21 C +ATOM 83 O PRO A 14 -6.607 3.737 4.792 1.00 90.60 O +ATOM 84 CB PRO A 14 -5.784 6.739 5.970 1.00 90.46 C +ATOM 85 CG PRO A 14 -5.785 6.004 7.257 1.00 88.89 C +ATOM 86 CD PRO A 14 -7.250 5.798 7.563 1.00 89.84 C +HETATM 87 N HYP A 15 -5.837 5.224 3.303 1.00 92.36 N +HETATM 88 CA HYP A 15 -5.211 4.171 2.496 1.00 92.58 C +HETATM 89 C HYP A 15 -4.144 3.466 3.266 1.00 93.68 C +HETATM 90 O HYP A 15 -3.551 4.043 4.208 1.00 92.78 O +HETATM 91 CB HYP A 15 -4.601 5.055 1.365 1.00 89.41 C +HETATM 92 CG HYP A 15 -5.475 6.285 1.307 1.00 88.25 C +HETATM 93 CD HYP A 15 -5.807 6.543 2.745 1.00 91.18 C +HETATM 94 OD1 HYP A 15 -6.632 6.014 0.590 1.00 89.37 O +ATOM 95 N GLY A 16 -3.945 2.230 2.917 1.00 93.51 N +ATOM 96 CA GLY A 16 -2.913 1.470 3.564 1.00 93.25 C +ATOM 97 C GLY A 16 -1.550 2.002 3.180 1.00 94.13 C +ATOM 98 O GLY A 16 -1.428 2.876 2.323 1.00 93.99 O +ATOM 99 N PRO A 17 -0.507 1.488 3.820 1.00 91.00 N +ATOM 100 CA PRO A 17 0.837 1.948 3.521 1.00 90.78 C +ATOM 101 C PRO A 17 1.290 1.463 2.151 1.00 91.02 C +ATOM 102 O PRO A 17 0.738 0.522 1.596 1.00 89.35 O +ATOM 103 CB PRO A 17 1.678 1.336 4.640 1.00 89.24 C +ATOM 104 CG PRO A 17 0.930 0.099 4.991 1.00 87.74 C +ATOM 105 CD PRO A 17 -0.518 0.483 4.875 1.00 89.31 C +HETATM 106 N HYP A 18 2.287 2.147 1.620 1.00 90.09 N +HETATM 107 CA HYP A 18 2.856 1.692 0.383 1.00 89.78 C +HETATM 108 C HYP A 18 3.405 0.312 0.489 1.00 91.45 C +HETATM 109 O HYP A 18 3.829 -0.115 1.583 1.00 91.27 O +HETATM 110 CB HYP A 18 3.999 2.724 0.176 1.00 87.33 C +HETATM 111 CG HYP A 18 3.533 3.970 0.896 1.00 85.23 C +HETATM 112 CD HYP A 18 2.833 3.383 2.111 1.00 90.09 C +HETATM 113 OD1 HYP A 18 2.590 4.653 0.095 1.00 87.87 O +ATOM 114 N GLY A 19 3.368 -0.409 -0.598 1.00 89.70 N +ATOM 115 CA GLY A 19 3.897 -1.739 -0.632 1.00 89.49 C +ATOM 116 C GLY A 19 5.408 -1.702 -0.507 1.00 90.31 C +ATOM 117 O GLY A 19 6.024 -0.645 -0.569 1.00 90.90 O +ATOM 118 N PRO A 20 6.020 -2.864 -0.333 1.00 86.91 N +ATOM 119 CA PRO A 20 7.465 -2.919 -0.204 1.00 87.15 C +ATOM 120 C PRO A 20 8.144 -2.638 -1.532 1.00 86.71 C +ATOM 121 O PRO A 20 7.540 -2.747 -2.595 1.00 86.48 O +ATOM 122 CB PRO A 20 7.716 -4.347 0.261 1.00 85.04 C +ATOM 123 CG PRO A 20 6.578 -5.103 -0.327 1.00 82.79 C +ATOM 124 CD PRO A 20 5.403 -4.173 -0.207 1.00 84.61 C +HETATM 125 N HYP A 21 9.405 -2.248 -1.435 1.00 90.46 N +HETATM 126 CA HYP A 21 10.161 -2.046 -2.644 1.00 88.38 C +HETATM 127 C HYP A 21 10.225 -3.274 -3.523 1.00 89.86 C +HETATM 128 O HYP A 21 10.254 -4.390 -3.008 1.00 91.60 O +HETATM 129 CB HYP A 21 11.563 -1.716 -2.128 1.00 86.22 C +HETATM 130 CG HYP A 21 11.354 -1.171 -0.751 1.00 81.84 C +HETATM 131 CD HYP A 21 10.179 -1.979 -0.244 1.00 89.35 C +HETATM 132 OD1 HYP A 21 10.941 0.199 -0.836 1.00 85.14 O +ATOM 133 N GLY A 22 10.161 -3.086 -4.808 1.00 90.61 N +ATOM 134 CA GLY A 22 10.256 -4.177 -5.731 1.00 88.56 C +ATOM 135 C GLY A 22 11.691 -4.663 -5.790 1.00 89.14 C +ATOM 136 O GLY A 22 12.589 -4.038 -5.221 1.00 88.89 O +ATOM 137 N PRO A 23 11.949 -5.762 -6.490 1.00 90.41 N +ATOM 138 CA PRO A 23 13.304 -6.276 -6.614 1.00 90.06 C +ATOM 139 C PRO A 23 14.107 -5.407 -7.573 1.00 88.83 C +ATOM 140 O PRO A 23 13.879 -5.433 -8.781 1.00 85.68 O +ATOM 141 CB PRO A 23 13.091 -7.688 -7.137 1.00 86.24 C +ATOM 142 CG PRO A 23 11.836 -7.588 -7.922 1.00 82.96 C +ATOM 143 CD PRO A 23 10.970 -6.616 -7.147 1.00 86.66 C +HETATM 144 N HYP A 24 14.908 -4.554 -7.078 1.00 93.77 N +HETATM 145 CA HYP A 24 15.382 -3.285 -7.732 1.00 89.32 C +HETATM 146 C HYP A 24 14.562 -2.220 -7.964 1.00 93.49 C +HETATM 147 O HYP A 24 14.582 -1.528 -9.086 1.00 92.68 O +HETATM 148 CB HYP A 24 16.817 -3.180 -7.492 1.00 88.49 C +HETATM 149 CG HYP A 24 17.231 -4.612 -7.293 1.00 87.73 C +HETATM 150 CD HYP A 24 15.965 -5.284 -6.637 1.00 91.61 C +HETATM 151 OD1 HYP A 24 18.368 -4.753 -6.498 1.00 88.50 O +HETATM 152 OXT HYP A 24 14.586 -1.176 -7.080 1.00 87.17 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_333.txt b/protein_pdb_333.txt new file mode 100644 index 0000000000000000000000000000000000000000..78b90b4ed19a5dce3de7f01ac1917f24835c0eb5 --- /dev/null +++ b/protein_pdb_333.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 -5.649 15.715 -0.633 1.00 90.73 N +ATOM 2 CA GLY A 1 -6.323 14.535 -1.070 1.00 91.24 C +ATOM 3 C GLY A 1 -6.484 13.458 -0.016 1.00 91.94 C +ATOM 4 O GLY A 1 -5.912 13.549 1.069 1.00 90.84 O +ATOM 5 N PRO A 2 -7.219 12.434 -0.332 1.00 91.33 N +ATOM 6 CA PRO A 2 -7.497 11.353 0.588 1.00 91.88 C +ATOM 7 C PRO A 2 -6.342 10.370 0.706 1.00 91.93 C +ATOM 8 O PRO A 2 -5.432 10.360 -0.120 1.00 90.69 O +ATOM 9 CB PRO A 2 -8.727 10.695 -0.031 1.00 89.22 C +ATOM 10 CG PRO A 2 -8.521 10.892 -1.486 1.00 85.43 C +ATOM 11 CD PRO A 2 -7.928 12.271 -1.597 1.00 87.81 C +HETATM 12 N HYP A 3 -6.406 9.550 1.730 1.00 90.56 N +HETATM 13 CA HYP A 3 -5.420 8.492 1.903 1.00 88.59 C +HETATM 14 C HYP A 3 -5.459 7.473 0.765 1.00 93.58 C +HETATM 15 O HYP A 3 -6.556 7.273 0.177 1.00 93.57 O +HETATM 16 CB HYP A 3 -5.851 7.823 3.243 1.00 90.36 C +HETATM 17 CG HYP A 3 -6.477 8.983 3.996 1.00 87.50 C +HETATM 18 CD HYP A 3 -7.230 9.731 2.873 1.00 89.94 C +HETATM 19 OD1 HYP A 3 -5.445 9.781 4.491 1.00 89.73 O +ATOM 20 N GLY A 4 -4.348 6.934 0.435 1.00 93.22 N +ATOM 21 CA GLY A 4 -4.277 5.947 -0.604 1.00 92.18 C +ATOM 22 C GLY A 4 -4.955 4.661 -0.181 1.00 92.02 C +ATOM 23 O GLY A 4 -5.336 4.495 0.979 1.00 92.02 O +ATOM 24 N PRO A 5 -5.101 3.720 -1.118 1.00 93.51 N +ATOM 25 CA PRO A 5 -5.748 2.456 -0.820 1.00 92.66 C +ATOM 26 C PRO A 5 -4.863 1.548 0.029 1.00 92.21 C +ATOM 27 O PRO A 5 -3.655 1.755 0.121 1.00 91.13 O +ATOM 28 CB PRO A 5 -6.001 1.860 -2.201 1.00 90.97 C +ATOM 29 CG PRO A 5 -4.883 2.402 -3.024 1.00 88.95 C +ATOM 30 CD PRO A 5 -4.682 3.802 -2.519 1.00 91.06 C +HETATM 31 N HYP A 6 -5.504 0.536 0.653 1.00 91.86 N +HETATM 32 CA HYP A 6 -4.753 -0.462 1.384 1.00 93.19 C +HETATM 33 C HYP A 6 -3.748 -1.190 0.498 1.00 93.07 C +HETATM 34 O HYP A 6 -4.009 -1.345 -0.732 1.00 93.13 O +HETATM 35 CB HYP A 6 -5.820 -1.427 1.905 1.00 89.68 C +HETATM 36 CG HYP A 6 -7.061 -0.576 1.995 1.00 88.92 C +HETATM 37 CD HYP A 6 -6.928 0.306 0.788 1.00 91.09 C +HETATM 38 OD1 HYP A 6 -7.017 0.195 3.169 1.00 89.84 O +ATOM 39 N GLY A 7 -2.647 -1.573 1.043 1.00 92.92 N +ATOM 40 CA GLY A 7 -1.656 -2.302 0.299 1.00 92.49 C +ATOM 41 C GLY A 7 -2.182 -3.658 -0.119 1.00 92.94 C +ATOM 42 O GLY A 7 -3.207 -4.130 0.377 1.00 92.61 O +ATOM 43 N PRO A 8 -1.475 -4.304 -1.026 1.00 92.60 N +ATOM 44 CA PRO A 8 -1.915 -5.601 -1.512 1.00 92.49 C +ATOM 45 C PRO A 8 -1.703 -6.720 -0.497 1.00 92.61 C +ATOM 46 O PRO A 8 -0.832 -6.643 0.361 1.00 91.28 O +ATOM 47 CB PRO A 8 -1.069 -5.816 -2.768 1.00 90.84 C +ATOM 48 CG PRO A 8 0.159 -5.039 -2.498 1.00 89.97 C +ATOM 49 CD PRO A 8 -0.287 -3.833 -1.716 1.00 91.51 C +HETATM 50 N HYP A 9 -2.532 -7.795 -0.658 1.00 90.55 N +HETATM 51 CA HYP A 9 -2.420 -8.947 0.178 1.00 91.25 C +HETATM 52 C HYP A 9 -1.109 -9.698 -0.123 1.00 91.85 C +HETATM 53 O HYP A 9 -0.527 -9.551 -1.179 1.00 92.86 O +HETATM 54 CB HYP A 9 -3.519 -9.918 -0.310 1.00 88.64 C +HETATM 55 CG HYP A 9 -4.513 -9.051 -0.982 1.00 88.44 C +HETATM 56 CD HYP A 9 -3.698 -7.930 -1.542 1.00 90.10 C +HETATM 57 OD1 HYP A 9 -5.395 -8.546 0.001 1.00 89.25 O +ATOM 58 N GLY A 10 -0.620 -10.538 0.628 1.00 92.70 N +ATOM 59 CA GLY A 10 0.517 -11.359 0.309 1.00 91.07 C +ATOM 60 C GLY A 10 0.829 -12.335 1.417 1.00 90.97 C +ATOM 61 O GLY A 10 0.145 -12.380 2.441 1.00 89.32 O +ATOM 62 N ARG A 11 1.894 -13.111 1.219 1.00 90.29 N +ATOM 63 CA ARG A 11 2.259 -14.121 2.194 1.00 90.43 C +ATOM 64 C ARG A 11 2.680 -13.523 3.533 1.00 89.75 C +ATOM 65 O ARG A 11 2.742 -14.238 4.526 1.00 87.25 O +ATOM 66 CB ARG A 11 3.385 -15.006 1.661 1.00 88.43 C +ATOM 67 CG ARG A 11 4.681 -14.256 1.427 1.00 83.55 C +ATOM 68 CD ARG A 11 5.861 -15.195 1.212 1.00 78.88 C +ATOM 69 NE ARG A 11 5.664 -16.089 0.082 1.00 75.91 N +ATOM 70 CZ ARG A 11 5.460 -17.410 0.161 1.00 71.30 C +ATOM 71 NH1 ARG A 11 5.412 -18.012 1.346 1.00 69.59 N +ATOM 72 NH2 ARG A 11 5.297 -18.122 -0.922 1.00 67.22 N +ATOM 73 N HIS A 12 2.997 -12.250 3.557 1.00 88.26 N +ATOM 74 CA HIS A 12 3.446 -11.611 4.788 1.00 89.07 C +ATOM 75 C HIS A 12 2.327 -10.964 5.590 1.00 89.62 C +ATOM 76 O HIS A 12 2.592 -10.359 6.629 1.00 84.70 O +ATOM 77 CB HIS A 12 4.530 -10.581 4.472 1.00 87.26 C +ATOM 78 CG HIS A 12 5.732 -11.202 3.838 1.00 83.16 C +ATOM 79 ND1 HIS A 12 6.564 -12.062 4.507 1.00 76.10 N +ATOM 80 CD2 HIS A 12 6.208 -11.121 2.583 1.00 73.08 C +ATOM 81 CE1 HIS A 12 7.508 -12.471 3.673 1.00 75.48 C +ATOM 82 NE2 HIS A 12 7.323 -11.918 2.512 1.00 75.91 N +ATOM 83 N GLY A 13 1.100 -11.078 5.136 1.00 92.64 N +ATOM 84 CA GLY A 13 0.002 -10.565 5.921 1.00 92.13 C +ATOM 85 C GLY A 13 -1.126 -9.969 5.113 1.00 93.00 C +ATOM 86 O GLY A 13 -1.169 -10.100 3.888 1.00 92.35 O +ATOM 87 N PRO A 14 -2.046 -9.336 5.806 1.00 94.80 N +ATOM 88 CA PRO A 14 -3.209 -8.730 5.171 1.00 94.87 C +ATOM 89 C PRO A 14 -2.837 -7.461 4.422 1.00 94.92 C +ATOM 90 O PRO A 14 -1.678 -7.051 4.405 1.00 94.01 O +ATOM 91 CB PRO A 14 -4.134 -8.446 6.349 1.00 93.66 C +ATOM 92 CG PRO A 14 -3.198 -8.165 7.472 1.00 91.67 C +ATOM 93 CD PRO A 14 -2.060 -9.126 7.261 1.00 92.78 C +HETATM 94 N HYP A 15 -3.868 -6.865 3.826 1.00 93.15 N +HETATM 95 CA HYP A 15 -3.632 -5.624 3.140 1.00 93.58 C +HETATM 96 C HYP A 15 -2.888 -4.630 3.974 1.00 94.39 C +HETATM 97 O HYP A 15 -3.110 -4.573 5.222 1.00 94.03 O +HETATM 98 CB HYP A 15 -5.028 -5.134 2.749 1.00 91.27 C +HETATM 99 CG HYP A 15 -5.814 -6.420 2.650 1.00 89.82 C +HETATM 100 CD HYP A 15 -5.247 -7.262 3.790 1.00 92.45 C +HETATM 101 OD1 HYP A 15 -5.566 -7.014 1.432 1.00 90.96 O +ATOM 102 N GLY A 16 -2.041 -3.872 3.385 1.00 94.74 N +ATOM 103 CA GLY A 16 -1.306 -2.861 4.085 1.00 94.47 C +ATOM 104 C GLY A 16 -2.210 -1.717 4.489 1.00 94.64 C +ATOM 105 O GLY A 16 -3.379 -1.666 4.109 1.00 94.31 O +ATOM 106 N PRO A 17 -1.666 -0.797 5.260 1.00 93.63 N +ATOM 107 CA PRO A 17 -2.459 0.347 5.700 1.00 92.97 C +ATOM 108 C PRO A 17 -2.724 1.318 4.555 1.00 93.41 C +ATOM 109 O PRO A 17 -2.085 1.250 3.509 1.00 92.51 O +ATOM 110 CB PRO A 17 -1.579 0.982 6.780 1.00 91.79 C +ATOM 111 CG PRO A 17 -0.199 0.607 6.379 1.00 90.08 C +ATOM 112 CD PRO A 17 -0.311 -0.768 5.791 1.00 91.51 C +HETATM 113 N HYP A 18 -3.710 2.202 4.762 1.00 91.18 N +HETATM 114 CA HYP A 18 -3.941 3.223 3.813 1.00 91.47 C +HETATM 115 C HYP A 18 -2.747 4.050 3.503 1.00 92.27 C +HETATM 116 O HYP A 18 -1.905 4.296 4.425 1.00 92.61 O +HETATM 117 CB HYP A 18 -5.095 4.018 4.410 1.00 89.68 C +HETATM 118 CG HYP A 18 -5.826 3.001 5.278 1.00 89.03 C +HETATM 119 CD HYP A 18 -4.685 2.202 5.835 1.00 92.17 C +HETATM 120 OD1 HYP A 18 -6.647 2.192 4.479 1.00 89.56 O +ATOM 121 N GLY A 19 -2.605 4.458 2.306 1.00 91.53 N +ATOM 122 CA GLY A 19 -1.508 5.288 1.914 1.00 91.18 C +ATOM 123 C GLY A 19 -1.602 6.652 2.566 1.00 91.44 C +ATOM 124 O GLY A 19 -2.593 6.975 3.222 1.00 92.20 O +ATOM 125 N PRO A 20 -0.575 7.451 2.391 1.00 90.21 N +ATOM 126 CA PRO A 20 -0.563 8.777 2.993 1.00 89.57 C +ATOM 127 C PRO A 20 -1.554 9.713 2.323 1.00 89.11 C +ATOM 128 O PRO A 20 -1.968 9.494 1.194 1.00 89.33 O +ATOM 129 CB PRO A 20 0.875 9.242 2.787 1.00 87.88 C +ATOM 130 CG PRO A 20 1.291 8.538 1.546 1.00 85.80 C +ATOM 131 CD PRO A 20 0.642 7.187 1.633 1.00 88.55 C +HETATM 132 N HYP A 21 -1.940 10.726 3.056 1.00 91.35 N +HETATM 133 CA HYP A 21 -2.777 11.754 2.503 1.00 90.77 C +HETATM 134 C HYP A 21 -2.199 12.436 1.292 1.00 90.58 C +HETATM 135 O HYP A 21 -0.976 12.641 1.253 1.00 93.37 O +HETATM 136 CB HYP A 21 -2.939 12.760 3.664 1.00 89.05 C +HETATM 137 CG HYP A 21 -2.685 11.962 4.927 1.00 87.86 C +HETATM 138 CD HYP A 21 -1.653 10.977 4.480 1.00 91.40 C +HETATM 139 OD1 HYP A 21 -3.883 11.266 5.268 1.00 89.90 O +ATOM 140 N GLY A 22 -2.969 12.666 0.305 1.00 92.52 N +ATOM 141 CA GLY A 22 -2.522 13.383 -0.850 1.00 91.16 C +ATOM 142 C GLY A 22 -2.363 14.854 -0.495 1.00 91.13 C +ATOM 143 O GLY A 22 -2.772 15.286 0.580 1.00 91.16 O +ATOM 144 N PRO A 23 -1.801 15.635 -1.386 1.00 93.62 N +ATOM 145 CA PRO A 23 -1.669 17.058 -1.125 1.00 93.16 C +ATOM 146 C PRO A 23 -3.036 17.716 -1.251 1.00 91.70 C +ATOM 147 O PRO A 23 -3.652 17.666 -2.312 1.00 88.85 O +ATOM 148 CB PRO A 23 -0.700 17.531 -2.210 1.00 90.85 C +ATOM 149 CG PRO A 23 -0.904 16.564 -3.316 1.00 87.90 C +ATOM 150 CD PRO A 23 -1.215 15.243 -2.657 1.00 91.42 C +HETATM 151 N HYP A 24 -3.607 18.171 -0.215 1.00 93.77 N +HETATM 152 CA HYP A 24 -5.102 18.401 -0.217 1.00 88.70 C +HETATM 153 C HYP A 24 -5.947 17.424 -0.658 1.00 92.97 C +HETATM 154 O HYP A 24 -7.185 17.266 -0.250 1.00 89.88 O +HETATM 155 CB HYP A 24 -5.347 19.265 0.949 1.00 88.46 C +HETATM 156 CG HYP A 24 -4.045 20.042 1.120 1.00 89.42 C +HETATM 157 CD HYP A 24 -2.946 19.099 0.590 1.00 91.40 C +HETATM 158 OD1 HYP A 24 -3.803 20.391 2.454 1.00 90.08 O +HETATM 159 OXT HYP A 24 -5.938 17.312 -1.949 1.00 86.11 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_334.txt b/protein_pdb_334.txt new file mode 100644 index 0000000000000000000000000000000000000000..f23f59fc13944515c6f689b24d95b7344a83e242 --- /dev/null +++ b/protein_pdb_334.txt @@ -0,0 +1,175 @@ +ATOM 1 N GLY A 1 11.975 -5.022 35.931 1.00 80.84 N +ATOM 2 CA GLY A 1 12.936 -5.011 34.838 1.00 84.23 C +ATOM 3 C GLY A 1 12.709 -3.832 33.912 1.00 84.80 C +ATOM 4 O GLY A 1 11.695 -3.146 34.008 1.00 82.25 O +ATOM 5 N PRO A 2 13.646 -3.574 33.021 1.00 84.23 N +ATOM 6 CA PRO A 2 13.500 -2.456 32.084 1.00 87.49 C +ATOM 7 C PRO A 2 12.381 -2.717 31.084 1.00 87.61 C +ATOM 8 O PRO A 2 12.003 -3.853 30.835 1.00 85.89 O +ATOM 9 CB PRO A 2 14.863 -2.389 31.388 1.00 85.01 C +ATOM 10 CG PRO A 2 15.377 -3.780 31.482 1.00 82.14 C +ATOM 11 CD PRO A 2 14.884 -4.314 32.803 1.00 83.28 C +HETATM 12 N HYP A 3 11.879 -1.690 30.587 1.00 85.95 N +HETATM 13 CA HYP A 3 10.855 -1.759 29.494 1.00 83.47 C +HETATM 14 C HYP A 3 11.389 -2.509 28.306 1.00 84.16 C +HETATM 15 O HYP A 3 12.569 -2.430 27.952 1.00 86.68 O +HETATM 16 CB HYP A 3 10.606 -0.298 29.204 1.00 82.43 C +HETATM 17 CG HYP A 3 10.949 0.439 30.482 1.00 81.61 C +HETATM 18 CD HYP A 3 12.179 -0.354 30.979 1.00 84.61 C +HETATM 19 OD1 HYP A 3 9.939 0.298 31.462 1.00 85.40 O +ATOM 20 N GLY A 4 10.474 -3.306 27.688 1.00 88.53 N +ATOM 21 CA GLY A 4 10.839 -4.053 26.508 1.00 87.68 C +ATOM 22 C GLY A 4 11.086 -3.132 25.324 1.00 87.83 C +ATOM 23 O GLY A 4 10.722 -1.950 25.352 1.00 87.04 O +ATOM 24 N PRO A 5 11.712 -3.656 24.280 1.00 86.54 N +ATOM 25 CA PRO A 5 11.980 -2.841 23.092 1.00 87.25 C +ATOM 26 C PRO A 5 10.694 -2.546 22.335 1.00 86.91 C +ATOM 27 O PRO A 5 9.695 -3.235 22.481 1.00 85.78 O +ATOM 28 CB PRO A 5 12.934 -3.712 22.270 1.00 85.14 C +ATOM 29 CG PRO A 5 12.547 -5.100 22.655 1.00 83.02 C +ATOM 30 CD PRO A 5 12.186 -5.031 24.117 1.00 84.29 C +HETATM 31 N HYP A 6 10.732 -1.499 21.556 1.00 87.05 N +HETATM 32 CA HYP A 6 9.614 -1.228 20.629 1.00 89.85 C +HETATM 33 C HYP A 6 9.355 -2.394 19.731 1.00 86.49 C +HETATM 34 O HYP A 6 10.262 -3.123 19.352 1.00 87.01 O +HETATM 35 CB HYP A 6 10.095 0.027 19.902 1.00 87.86 C +HETATM 36 CG HYP A 6 10.988 0.719 20.901 1.00 86.63 C +HETATM 37 CD HYP A 6 11.701 -0.457 21.554 1.00 86.37 C +HETATM 38 OD1 HYP A 6 10.245 1.407 21.871 1.00 85.85 O +ATOM 39 N GLY A 7 8.063 -2.575 19.364 1.00 90.61 N +ATOM 40 CA GLY A 7 7.666 -3.646 18.482 1.00 89.76 C +ATOM 41 C GLY A 7 8.283 -3.500 17.105 1.00 89.94 C +ATOM 42 O GLY A 7 8.840 -2.451 16.755 1.00 88.80 O +ATOM 43 N PRO A 8 8.190 -4.552 16.308 1.00 87.64 N +ATOM 44 CA PRO A 8 8.747 -4.502 14.957 1.00 87.37 C +ATOM 45 C PRO A 8 7.960 -3.556 14.066 1.00 87.50 C +ATOM 46 O PRO A 8 6.813 -3.224 14.343 1.00 85.28 O +ATOM 47 CB PRO A 8 8.639 -5.942 14.472 1.00 84.69 C +ATOM 48 CG PRO A 8 7.463 -6.468 15.219 1.00 84.28 C +ATOM 49 CD PRO A 8 7.531 -5.817 16.580 1.00 85.66 C +HETATM 50 N HYP A 9 8.570 -3.099 12.998 1.00 87.49 N +HETATM 51 CA HYP A 9 7.879 -2.307 12.011 1.00 89.17 C +HETATM 52 C HYP A 9 6.682 -3.034 11.489 1.00 87.98 C +HETATM 53 O HYP A 9 6.682 -4.277 11.383 1.00 85.69 O +HETATM 54 CB HYP A 9 8.968 -2.173 10.931 1.00 86.64 C +HETATM 55 CG HYP A 9 10.236 -2.224 11.687 1.00 84.69 C +HETATM 56 CD HYP A 9 9.940 -3.292 12.715 1.00 86.27 C +HETATM 57 OD1 HYP A 9 10.503 -0.992 12.357 1.00 85.09 O +ATOM 58 N GLY A 10 5.640 -2.252 11.147 1.00 89.81 N +ATOM 59 CA GLY A 10 4.448 -2.823 10.573 1.00 88.57 C +ATOM 60 C GLY A 10 4.727 -3.452 9.223 1.00 89.21 C +ATOM 61 O GLY A 10 5.796 -3.256 8.636 1.00 87.98 O +ATOM 62 N PRO A 11 3.766 -4.205 8.702 1.00 89.13 N +ATOM 63 CA PRO A 11 3.950 -4.836 7.397 1.00 88.75 C +ATOM 64 C PRO A 11 3.975 -3.793 6.286 1.00 88.80 C +ATOM 65 O PRO A 11 3.510 -2.675 6.458 1.00 86.57 O +ATOM 66 CB PRO A 11 2.741 -5.754 7.272 1.00 86.59 C +ATOM 67 CG PRO A 11 1.706 -5.090 8.119 1.00 86.48 C +ATOM 68 CD PRO A 11 2.461 -4.487 9.267 1.00 87.12 C +HETATM 69 N HYP A 12 4.543 -4.158 5.119 1.00 89.35 N +HETATM 70 CA HYP A 12 4.508 -3.274 3.989 1.00 89.46 C +HETATM 71 C HYP A 12 3.120 -2.809 3.668 1.00 90.31 C +HETATM 72 O HYP A 12 2.147 -3.587 3.869 1.00 85.78 O +HETATM 73 CB HYP A 12 5.112 -4.144 2.864 1.00 86.39 C +HETATM 74 CG HYP A 12 6.025 -5.070 3.588 1.00 84.66 C +HETATM 75 CD HYP A 12 5.245 -5.360 4.874 1.00 88.32 C +HETATM 76 OD1 HYP A 12 7.224 -4.416 3.933 1.00 85.18 O +ATOM 77 N ALA A 13 3.040 -1.527 3.189 1.00 90.77 N +ATOM 78 CA ALA A 13 1.759 -0.977 2.806 1.00 90.49 C +ATOM 79 C ALA A 13 1.179 -1.798 1.660 1.00 90.79 C +ATOM 80 O ALA A 13 1.923 -2.387 0.866 1.00 89.47 O +ATOM 81 CB ALA A 13 1.917 0.472 2.376 1.00 87.75 C +ATOM 82 N PRO A 14 -0.149 -1.853 1.564 1.00 90.10 N +ATOM 83 CA PRO A 14 -0.762 -2.604 0.470 1.00 90.36 C +ATOM 84 C PRO A 14 -0.495 -1.935 -0.872 1.00 90.40 C +ATOM 85 O PRO A 14 -0.193 -0.751 -0.935 1.00 88.67 O +ATOM 86 CB PRO A 14 -2.247 -2.588 0.818 1.00 88.61 C +ATOM 87 CG PRO A 14 -2.416 -1.376 1.663 1.00 87.51 C +ATOM 88 CD PRO A 14 -1.142 -1.246 2.442 1.00 87.85 C +HETATM 89 N HYP A 15 -0.571 -2.702 -1.956 1.00 89.26 N +HETATM 90 CA HYP A 15 -0.483 -2.136 -3.300 1.00 88.49 C +HETATM 91 C HYP A 15 -1.460 -1.028 -3.540 1.00 87.79 C +HETATM 92 O HYP A 15 -2.559 -1.019 -2.970 1.00 86.88 O +HETATM 93 CB HYP A 15 -0.817 -3.372 -4.147 1.00 86.00 C +HETATM 94 CG HYP A 15 -0.354 -4.522 -3.308 1.00 81.96 C +HETATM 95 CD HYP A 15 -0.730 -4.095 -1.921 1.00 86.70 C +HETATM 96 OD1 HYP A 15 1.049 -4.674 -3.375 1.00 85.76 O +ATOM 97 N GLY A 16 -1.041 -0.051 -4.320 1.00 90.42 N +ATOM 98 CA GLY A 16 -1.917 1.038 -4.673 1.00 89.28 C +ATOM 99 C GLY A 16 -3.111 0.532 -5.460 1.00 90.43 C +ATOM 100 O GLY A 16 -3.139 -0.607 -5.926 1.00 90.56 O +ATOM 101 N PRO A 17 -4.118 1.388 -5.617 1.00 87.21 N +ATOM 102 CA PRO A 17 -5.302 0.993 -6.364 1.00 88.07 C +ATOM 103 C PRO A 17 -5.009 0.863 -7.848 1.00 87.93 C +ATOM 104 O PRO A 17 -4.049 1.436 -8.353 1.00 86.88 O +ATOM 105 CB PRO A 17 -6.291 2.127 -6.088 1.00 87.05 C +ATOM 106 CG PRO A 17 -5.407 3.300 -5.839 1.00 85.74 C +ATOM 107 CD PRO A 17 -4.206 2.752 -5.122 1.00 86.09 C +HETATM 108 N HYP A 18 -5.816 0.100 -8.592 1.00 88.16 N +HETATM 109 CA HYP A 18 -5.735 0.050 -10.009 1.00 88.47 C +HETATM 110 C HYP A 18 -5.911 1.406 -10.667 1.00 88.98 C +HETATM 111 O HYP A 18 -6.590 2.286 -10.126 1.00 89.27 O +HETATM 112 CB HYP A 18 -6.906 -0.886 -10.371 1.00 87.09 C +HETATM 113 CG HYP A 18 -7.014 -1.776 -9.178 1.00 83.48 C +HETATM 114 CD HYP A 18 -6.756 -0.815 -8.060 1.00 88.30 C +HETATM 115 OD1 HYP A 18 -6.024 -2.778 -9.155 1.00 87.79 O +ATOM 116 N GLY A 19 -5.235 1.601 -11.773 1.00 91.30 N +ATOM 117 CA GLY A 19 -5.380 2.824 -12.523 1.00 90.09 C +ATOM 118 C GLY A 19 -6.797 2.991 -13.040 1.00 91.14 C +ATOM 119 O GLY A 19 -7.613 2.064 -12.974 1.00 90.61 O +ATOM 120 N PRO A 20 -7.097 4.163 -13.565 1.00 87.92 N +ATOM 121 CA PRO A 20 -8.444 4.413 -14.073 1.00 88.06 C +ATOM 122 C PRO A 20 -8.720 3.615 -15.336 1.00 87.60 C +ATOM 123 O PRO A 20 -7.805 3.209 -16.042 1.00 86.07 O +ATOM 124 CB PRO A 20 -8.433 5.915 -14.348 1.00 86.48 C +ATOM 125 CG PRO A 20 -7.009 6.218 -14.622 1.00 84.96 C +ATOM 126 CD PRO A 20 -6.223 5.307 -13.712 1.00 86.04 C +HETATM 127 N HYP A 21 -9.986 3.369 -15.637 1.00 90.98 N +HETATM 128 CA HYP A 21 -10.398 2.744 -16.870 1.00 89.57 C +HETATM 129 C HYP A 21 -9.878 3.497 -18.081 1.00 91.96 C +HETATM 130 O HYP A 21 -9.751 4.735 -18.037 1.00 91.01 O +HETATM 131 CB HYP A 21 -11.931 2.803 -16.780 1.00 90.47 C +HETATM 132 CG HYP A 21 -12.205 2.786 -15.330 1.00 89.61 C +HETATM 133 CD HYP A 21 -11.084 3.633 -14.770 1.00 90.99 C +HETATM 134 OD1 HYP A 21 -12.065 1.479 -14.791 1.00 89.24 O +ATOM 135 N GLY A 22 -9.618 2.784 -19.156 1.00 91.92 N +ATOM 136 CA GLY A 22 -9.236 3.397 -20.400 1.00 90.87 C +ATOM 137 C GLY A 22 -10.379 4.223 -20.974 1.00 91.23 C +ATOM 138 O GLY A 22 -11.514 4.168 -20.491 1.00 90.53 O +ATOM 139 N PRO A 23 -10.096 4.981 -22.027 1.00 89.60 N +ATOM 140 CA PRO A 23 -11.135 5.805 -22.631 1.00 88.99 C +ATOM 141 C PRO A 23 -12.158 4.959 -23.366 1.00 88.70 C +ATOM 142 O PRO A 23 -11.888 3.825 -23.744 1.00 87.05 O +ATOM 143 CB PRO A 23 -10.354 6.703 -23.588 1.00 86.47 C +ATOM 144 CG PRO A 23 -9.152 5.893 -23.932 1.00 84.51 C +ATOM 145 CD PRO A 23 -8.809 5.126 -22.684 1.00 86.37 C +HETATM 146 N HYP A 24 -13.363 5.495 -23.611 1.00 91.78 N +HETATM 147 CA HYP A 24 -14.356 4.830 -24.357 1.00 91.15 C +HETATM 148 C HYP A 24 -13.912 4.528 -25.798 1.00 93.07 C +HETATM 149 O HYP A 24 -13.107 5.274 -26.360 1.00 89.86 O +HETATM 150 CB HYP A 24 -15.495 5.883 -24.439 1.00 91.68 C +HETATM 151 CG HYP A 24 -15.322 6.682 -23.201 1.00 90.84 C +HETATM 152 CD HYP A 24 -13.800 6.746 -23.042 1.00 91.33 C +HETATM 153 OD1 HYP A 24 -15.834 6.005 -22.063 1.00 88.93 O +ATOM 154 N GLY A 25 -14.427 3.446 -26.350 1.00 87.62 N +ATOM 155 CA GLY A 25 -14.168 3.149 -27.740 1.00 86.08 C +ATOM 156 C GLY A 25 -14.837 4.177 -28.645 1.00 86.34 C +ATOM 157 O GLY A 25 -15.574 5.049 -28.185 1.00 84.68 O +ATOM 158 N PRO A 26 -14.601 4.063 -29.962 1.00 84.40 N +ATOM 159 CA PRO A 26 -15.179 5.028 -30.888 1.00 85.25 C +ATOM 160 C PRO A 26 -16.682 4.857 -31.000 1.00 85.00 C +ATOM 161 O PRO A 26 -17.222 3.780 -30.759 1.00 81.45 O +ATOM 162 CB PRO A 26 -14.480 4.714 -32.201 1.00 81.28 C +ATOM 163 CG PRO A 26 -14.129 3.276 -32.087 1.00 78.89 C +ATOM 164 CD PRO A 26 -13.803 3.054 -30.635 1.00 80.76 C +HETATM 165 N HYP A 27 -17.415 5.882 -31.459 1.00 88.27 N +HETATM 166 CA HYP A 27 -18.824 5.732 -31.637 1.00 87.54 C +HETATM 167 C HYP A 27 -19.107 4.729 -32.771 1.00 86.17 C +HETATM 168 O HYP A 27 -18.235 4.631 -33.653 1.00 83.89 O +HETATM 169 CB HYP A 27 -19.345 7.111 -32.104 1.00 87.80 C +HETATM 170 CG HYP A 27 -18.299 8.079 -31.694 1.00 85.12 C +HETATM 171 CD HYP A 27 -17.000 7.254 -31.696 1.00 86.42 C +HETATM 172 OD1 HYP A 27 -18.559 8.458 -30.368 1.00 82.48 O +HETATM 173 OXT HYP A 27 -20.195 4.162 -32.773 1.00 80.09 O +TER 174 HYP A 27 +END diff --git a/protein_pdb_335.txt b/protein_pdb_335.txt new file mode 100644 index 0000000000000000000000000000000000000000..eafc380d08eab0ec15ea90843e4d79be2cb8fa5c --- /dev/null +++ b/protein_pdb_335.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -22.780 25.741 4.237 1.00 83.24 N +ATOM 2 CA GLY A 1 -21.677 26.143 3.371 1.00 87.23 C +ATOM 3 C GLY A 1 -21.451 25.159 2.244 1.00 88.33 C +ATOM 4 O GLY A 1 -22.048 24.082 2.227 1.00 85.47 O +ATOM 5 N PRO A 2 -20.598 25.493 1.301 1.00 85.04 N +ATOM 6 CA PRO A 2 -20.317 24.603 0.178 1.00 88.98 C +ATOM 7 C PRO A 2 -19.529 23.370 0.621 1.00 89.13 C +ATOM 8 O PRO A 2 -18.895 23.375 1.670 1.00 87.41 O +ATOM 9 CB PRO A 2 -19.502 25.472 -0.775 1.00 86.60 C +ATOM 10 CG PRO A 2 -18.823 26.436 0.132 1.00 84.69 C +ATOM 11 CD PRO A 2 -19.821 26.727 1.222 1.00 85.86 C +HETATM 12 N HYP A 3 -19.623 22.382 -0.150 1.00 89.87 N +HETATM 13 CA HYP A 3 -18.811 21.132 0.095 1.00 88.16 C +HETATM 14 C HYP A 3 -17.333 21.447 0.119 1.00 90.18 C +HETATM 15 O HYP A 3 -16.848 22.358 -0.573 1.00 89.08 O +HETATM 16 CB HYP A 3 -19.175 20.267 -1.088 1.00 88.62 C +HETATM 17 CG HYP A 3 -20.550 20.751 -1.548 1.00 86.57 C +HETATM 18 CD HYP A 3 -20.442 22.249 -1.329 1.00 88.98 C +HETATM 19 OD1 HYP A 3 -21.584 20.236 -0.764 1.00 88.32 O +ATOM 20 N GLY A 4 -16.600 20.696 0.957 1.00 92.90 N +ATOM 21 CA GLY A 4 -15.169 20.876 1.051 1.00 92.55 C +ATOM 22 C GLY A 4 -14.456 20.341 -0.180 1.00 92.41 C +ATOM 23 O GLY A 4 -15.060 19.698 -1.038 1.00 91.49 O +ATOM 24 N PRO A 5 -13.154 20.604 -0.277 1.00 91.94 N +ATOM 25 CA PRO A 5 -12.380 20.133 -1.423 1.00 91.86 C +ATOM 26 C PRO A 5 -12.200 18.618 -1.384 1.00 91.54 C +ATOM 27 O PRO A 5 -12.314 17.998 -0.330 1.00 90.32 O +ATOM 28 CB PRO A 5 -11.047 20.857 -1.278 1.00 90.12 C +ATOM 29 CG PRO A 5 -10.923 21.060 0.192 1.00 89.18 C +ATOM 30 CD PRO A 5 -12.329 21.339 0.672 1.00 90.71 C +HETATM 31 N HYP A 6 -11.933 18.081 -2.529 1.00 90.98 N +HETATM 32 CA HYP A 6 -11.599 16.604 -2.580 1.00 90.28 C +HETATM 33 C HYP A 6 -10.438 16.245 -1.752 1.00 91.77 C +HETATM 34 O HYP A 6 -9.490 17.075 -1.602 1.00 89.06 O +HETATM 35 CB HYP A 6 -11.358 16.437 -4.091 1.00 89.56 C +HETATM 36 CG HYP A 6 -12.173 17.523 -4.781 1.00 87.01 C +HETATM 37 CD HYP A 6 -12.021 18.685 -3.826 1.00 89.97 C +HETATM 38 OD1 HYP A 6 -13.521 17.154 -4.880 1.00 85.52 O +ATOM 39 N GLY A 7 -10.449 15.062 -1.098 1.00 92.42 N +ATOM 40 CA GLY A 7 -9.374 14.607 -0.254 1.00 91.55 C +ATOM 41 C GLY A 7 -8.124 14.278 -1.054 1.00 92.00 C +ATOM 42 O GLY A 7 -8.133 14.302 -2.287 1.00 91.36 O +ATOM 43 N PRO A 8 -7.028 13.946 -0.358 1.00 90.94 N +ATOM 44 CA PRO A 8 -5.778 13.611 -1.031 1.00 91.05 C +ATOM 45 C PRO A 8 -5.866 12.252 -1.712 1.00 90.92 C +ATOM 46 O PRO A 8 -6.723 11.434 -1.388 1.00 89.31 O +ATOM 47 CB PRO A 8 -4.759 13.599 0.105 1.00 89.28 C +ATOM 48 CG PRO A 8 -5.573 13.210 1.286 1.00 89.32 C +ATOM 49 CD PRO A 8 -6.905 13.885 1.094 1.00 90.38 C +HETATM 50 N HYP A 9 -5.007 12.007 -2.627 1.00 91.27 N +HETATM 51 CA HYP A 9 -4.896 10.707 -3.300 1.00 89.07 C +HETATM 52 C HYP A 9 -4.619 9.621 -2.357 1.00 91.48 C +HETATM 53 O HYP A 9 -4.006 9.867 -1.284 1.00 85.50 O +HETATM 54 CB HYP A 9 -3.698 10.953 -4.282 1.00 89.24 C +HETATM 55 CG HYP A 9 -3.718 12.425 -4.532 1.00 87.81 C +HETATM 56 CD HYP A 9 -4.122 12.976 -3.186 1.00 90.00 C +HETATM 57 OD1 HYP A 9 -4.692 12.761 -5.499 1.00 85.10 O +ATOM 58 N GLY A 10 -5.011 8.387 -2.647 1.00 91.51 N +ATOM 59 CA GLY A 10 -4.717 7.232 -1.833 1.00 89.85 C +ATOM 60 C GLY A 10 -3.228 6.945 -1.802 1.00 89.79 C +ATOM 61 O GLY A 10 -2.437 7.559 -2.525 1.00 87.54 O +ATOM 62 N THR A 11 -2.842 5.998 -0.940 1.00 87.69 N +ATOM 63 CA THR A 11 -1.436 5.631 -0.789 1.00 86.31 C +ATOM 64 C THR A 11 -1.143 4.305 -1.466 1.00 85.21 C +ATOM 65 O THR A 11 -2.018 3.454 -1.618 1.00 82.49 O +ATOM 66 CB THR A 11 -1.056 5.536 0.693 1.00 83.14 C +ATOM 67 OG1 THR A 11 -1.865 4.551 1.322 1.00 80.92 O +ATOM 68 CG2 THR A 11 -1.255 6.868 1.387 1.00 78.52 C +ATOM 69 N VAL A 12 0.112 4.139 -1.875 1.00 84.90 N +ATOM 70 CA VAL A 12 0.540 2.880 -2.467 1.00 83.77 C +ATOM 71 C VAL A 12 0.530 1.817 -1.375 1.00 83.39 C +ATOM 72 O VAL A 12 0.882 2.094 -0.226 1.00 79.43 O +ATOM 73 CB VAL A 12 1.949 3.024 -3.077 1.00 80.58 C +ATOM 74 CG1 VAL A 12 2.440 1.694 -3.626 1.00 74.39 C +ATOM 75 CG2 VAL A 12 1.944 4.068 -4.177 1.00 74.35 C +ATOM 76 N GLY A 13 0.110 0.626 -1.743 1.00 89.57 N +ATOM 77 CA GLY A 13 0.061 -0.463 -0.786 1.00 88.04 C +ATOM 78 C GLY A 13 1.432 -0.880 -0.302 1.00 89.11 C +ATOM 79 O GLY A 13 2.459 -0.453 -0.836 1.00 89.44 O +ATOM 80 N PRO A 14 1.485 -1.729 0.734 1.00 89.91 N +ATOM 81 CA PRO A 14 2.758 -2.181 1.283 1.00 90.58 C +ATOM 82 C PRO A 14 3.474 -3.116 0.318 1.00 91.21 C +ATOM 83 O PRO A 14 2.858 -3.714 -0.553 1.00 90.54 O +ATOM 84 CB PRO A 14 2.358 -2.905 2.564 1.00 88.72 C +ATOM 85 CG PRO A 14 0.984 -3.395 2.278 1.00 88.39 C +ATOM 86 CD PRO A 14 0.348 -2.311 1.448 1.00 89.07 C +HETATM 87 N HYP A 15 4.775 -3.248 0.505 1.00 86.96 N +HETATM 88 CA HYP A 15 5.569 -4.198 -0.299 1.00 85.68 C +HETATM 89 C HYP A 15 5.114 -5.626 -0.098 1.00 92.08 C +HETATM 90 O HYP A 15 4.516 -5.947 0.955 1.00 85.10 O +HETATM 91 CB HYP A 15 6.954 -3.993 0.332 1.00 81.40 C +HETATM 92 CG HYP A 15 6.927 -2.574 0.886 1.00 81.16 C +HETATM 93 CD HYP A 15 5.533 -2.450 1.397 1.00 84.16 C +HETATM 94 OD1 HYP A 15 7.136 -1.628 -0.136 1.00 87.15 O +ATOM 95 N GLY A 16 5.276 -6.445 -1.080 1.00 93.71 N +ATOM 96 CA GLY A 16 4.932 -7.836 -0.970 1.00 92.75 C +ATOM 97 C GLY A 16 5.838 -8.545 0.028 1.00 93.13 C +ATOM 98 O GLY A 16 6.800 -7.968 0.531 1.00 92.56 O +ATOM 99 N PRO A 17 5.539 -9.822 0.314 1.00 89.70 N +ATOM 100 CA PRO A 17 6.351 -10.572 1.266 1.00 89.68 C +ATOM 101 C PRO A 17 7.742 -10.850 0.712 1.00 89.42 C +ATOM 102 O PRO A 17 7.947 -10.879 -0.492 1.00 87.84 O +ATOM 103 CB PRO A 17 5.562 -11.862 1.473 1.00 87.75 C +ATOM 104 CG PRO A 17 4.806 -12.021 0.202 1.00 87.35 C +ATOM 105 CD PRO A 17 4.447 -10.621 -0.224 1.00 88.15 C +HETATM 106 N HYP A 18 8.712 -11.093 1.599 1.00 88.19 N +HETATM 107 CA HYP A 18 10.050 -11.433 1.172 1.00 88.68 C +HETATM 108 C HYP A 18 10.080 -12.718 0.389 1.00 89.05 C +HETATM 109 O HYP A 18 9.272 -13.641 0.641 1.00 89.81 O +HETATM 110 CB HYP A 18 10.769 -11.614 2.513 1.00 87.42 C +HETATM 111 CG HYP A 18 10.006 -10.776 3.484 1.00 85.28 C +HETATM 112 CD HYP A 18 8.587 -10.920 3.011 1.00 87.08 C +HETATM 113 OD1 HYP A 18 10.391 -9.416 3.390 1.00 89.01 O +ATOM 114 N GLY A 19 10.948 -12.795 -0.605 1.00 89.50 N +ATOM 115 CA GLY A 19 11.108 -13.985 -1.383 1.00 88.19 C +ATOM 116 C GLY A 19 11.706 -15.103 -0.546 1.00 88.51 C +ATOM 117 O GLY A 19 12.146 -14.889 0.582 1.00 87.87 O +ATOM 118 N PRO A 20 11.736 -16.320 -1.093 1.00 85.61 N +ATOM 119 CA PRO A 20 12.285 -17.449 -0.355 1.00 85.45 C +ATOM 120 C PRO A 20 13.795 -17.339 -0.233 1.00 85.21 C +ATOM 121 O PRO A 20 14.448 -16.643 -1.005 1.00 83.79 O +ATOM 122 CB PRO A 20 11.874 -18.654 -1.203 1.00 82.89 C +ATOM 123 CG PRO A 20 11.791 -18.100 -2.577 1.00 81.41 C +ATOM 124 CD PRO A 20 11.253 -16.699 -2.415 1.00 83.06 C +HETATM 125 N HYP A 21 14.399 -18.039 0.759 1.00 88.56 N +HETATM 126 CA HYP A 21 15.811 -18.068 0.888 1.00 87.68 C +HETATM 127 C HYP A 21 16.518 -18.644 -0.332 1.00 89.96 C +HETATM 128 O HYP A 21 15.922 -19.502 -1.018 1.00 86.99 O +HETATM 129 CB HYP A 21 16.027 -19.049 2.096 1.00 88.39 C +HETATM 130 CG HYP A 21 14.767 -18.937 2.906 1.00 85.39 C +HETATM 131 CD HYP A 21 13.724 -18.741 1.834 1.00 86.77 C +HETATM 132 OD1 HYP A 21 14.802 -17.783 3.740 1.00 86.53 O +ATOM 133 N GLY A 22 17.684 -18.163 -0.693 1.00 85.31 N +ATOM 134 CA GLY A 22 18.441 -18.667 -1.812 1.00 84.26 C +ATOM 135 C GLY A 22 18.829 -20.126 -1.600 1.00 83.74 C +ATOM 136 O GLY A 22 18.666 -20.672 -0.510 1.00 82.13 O +ATOM 137 N PRO A 23 19.382 -20.772 -2.632 1.00 84.31 N +ATOM 138 CA PRO A 23 19.763 -22.176 -2.515 1.00 85.56 C +ATOM 139 C PRO A 23 20.942 -22.345 -1.568 1.00 84.83 C +ATOM 140 O PRO A 23 21.758 -21.440 -1.406 1.00 80.94 O +ATOM 141 CB PRO A 23 20.114 -22.574 -3.942 1.00 80.99 C +ATOM 142 CG PRO A 23 20.534 -21.299 -4.575 1.00 77.64 C +ATOM 143 CD PRO A 23 19.650 -20.244 -3.959 1.00 79.14 C +HETATM 144 N HYP A 24 21.097 -23.504 -0.957 1.00 86.47 N +HETATM 145 CA HYP A 24 22.271 -23.698 -0.087 1.00 84.52 C +HETATM 146 C HYP A 24 23.500 -23.752 -0.927 1.00 85.59 C +HETATM 147 O HYP A 24 24.418 -23.110 -0.521 1.00 86.61 O +HETATM 148 CB HYP A 24 21.988 -25.146 0.502 1.00 87.07 C +HETATM 149 CG HYP A 24 20.526 -25.435 0.336 1.00 85.26 C +HETATM 150 CD HYP A 24 20.141 -24.617 -0.915 1.00 84.03 C +HETATM 151 OD1 HYP A 24 19.821 -24.898 1.431 1.00 80.23 O +HETATM 152 OXT HYP A 24 23.479 -24.412 -2.002 1.00 79.23 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_336.txt b/protein_pdb_336.txt new file mode 100644 index 0000000000000000000000000000000000000000..f3a6471e5d24bb487f5287299ea1703df66a9b14 --- /dev/null +++ b/protein_pdb_336.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 -0.713 -5.804 -7.464 1.00 76.30 N +ATOM 2 CA GLY A 1 -0.783 -6.189 -6.062 1.00 78.73 C +ATOM 3 C GLY A 1 -1.674 -5.249 -5.284 1.00 79.92 C +ATOM 4 O GLY A 1 -2.147 -4.249 -5.823 1.00 76.40 O +ATOM 5 N PRO A 2 -1.897 -5.552 -4.012 1.00 76.32 N +ATOM 6 CA PRO A 2 -2.744 -4.698 -3.184 1.00 78.48 C +ATOM 7 C PRO A 2 -2.051 -3.381 -2.877 1.00 79.14 C +ATOM 8 O PRO A 2 -0.837 -3.261 -3.003 1.00 76.04 O +ATOM 9 CB PRO A 2 -2.955 -5.530 -1.924 1.00 74.75 C +ATOM 10 CG PRO A 2 -1.736 -6.375 -1.844 1.00 71.80 C +ATOM 11 CD PRO A 2 -1.399 -6.703 -3.269 1.00 72.39 C +HETATM 12 N HYP A 3 -2.781 -2.406 -2.519 1.00 76.16 N +HETATM 13 CA HYP A 3 -2.255 -1.139 -2.091 1.00 81.25 C +HETATM 14 C HYP A 3 -1.229 -1.309 -0.943 1.00 76.48 C +HETATM 15 O HYP A 3 -1.346 -2.268 -0.124 1.00 80.09 O +HETATM 16 CB HYP A 3 -3.535 -0.424 -1.614 1.00 77.98 C +HETATM 17 CG HYP A 3 -4.607 -0.982 -2.508 1.00 74.13 C +HETATM 18 CD HYP A 3 -4.223 -2.431 -2.552 1.00 76.74 C +HETATM 19 OD1 HYP A 3 -4.522 -0.441 -3.800 1.00 77.99 O +ATOM 20 N GLY A 4 -0.272 -0.490 -0.946 1.00 82.72 N +ATOM 21 CA GLY A 4 0.729 -0.561 0.082 1.00 80.59 C +ATOM 22 C GLY A 4 0.138 -0.196 1.431 1.00 79.81 C +ATOM 23 O GLY A 4 -1.015 0.220 1.526 1.00 77.57 O +ATOM 24 N PRO A 5 0.929 -0.361 2.467 1.00 79.62 N +ATOM 25 CA PRO A 5 0.443 -0.019 3.798 1.00 78.58 C +ATOM 26 C PRO A 5 0.261 1.482 3.933 1.00 78.83 C +ATOM 27 O PRO A 5 0.795 2.258 3.145 1.00 76.13 O +ATOM 28 CB PRO A 5 1.532 -0.550 4.726 1.00 74.88 C +ATOM 29 CG PRO A 5 2.751 -0.559 3.882 1.00 73.51 C +ATOM 30 CD PRO A 5 2.284 -0.881 2.497 1.00 75.74 C +HETATM 31 N HYP A 6 -0.446 1.875 4.952 1.00 77.68 N +HETATM 32 CA HYP A 6 -0.664 3.273 5.186 1.00 82.55 C +HETATM 33 C HYP A 6 0.654 4.016 5.455 1.00 76.88 C +HETATM 34 O HYP A 6 1.584 3.448 6.049 1.00 80.06 O +HETATM 35 CB HYP A 6 -1.540 3.265 6.440 1.00 77.09 C +HETATM 36 CG HYP A 6 -2.295 1.967 6.338 1.00 77.61 C +HETATM 37 CD HYP A 6 -1.239 1.026 5.784 1.00 79.40 C +HETATM 38 OD1 HYP A 6 -3.352 2.053 5.446 1.00 76.46 O +ATOM 39 N GLY A 7 0.760 5.192 4.875 1.00 78.41 N +ATOM 40 CA GLY A 7 1.961 5.970 5.035 1.00 75.86 C +ATOM 41 C GLY A 7 2.024 6.557 6.440 1.00 77.33 C +ATOM 42 O GLY A 7 1.166 6.280 7.282 1.00 75.74 O +ATOM 43 N PRO A 8 3.015 7.371 6.682 1.00 77.61 N +ATOM 44 CA PRO A 8 3.125 8.030 7.982 1.00 78.85 C +ATOM 45 C PRO A 8 1.915 8.923 8.209 1.00 77.91 C +ATOM 46 O PRO A 8 1.206 9.275 7.267 1.00 75.51 O +ATOM 47 CB PRO A 8 4.402 8.861 7.865 1.00 75.56 C +ATOM 48 CG PRO A 8 5.153 8.254 6.737 1.00 75.29 C +ATOM 49 CD PRO A 8 4.114 7.726 5.798 1.00 77.91 C +HETATM 50 N HYP A 9 1.690 9.295 9.493 1.00 73.35 N +HETATM 51 CA HYP A 9 0.648 10.209 9.748 1.00 78.57 C +HETATM 52 C HYP A 9 0.614 11.320 8.833 1.00 69.87 C +HETATM 53 O HYP A 9 1.677 11.915 8.535 1.00 73.79 O +HETATM 54 CB HYP A 9 0.883 10.528 11.252 1.00 75.17 C +HETATM 55 CG HYP A 9 1.458 9.239 11.805 1.00 74.09 C +HETATM 56 CD HYP A 9 2.305 8.749 10.672 1.00 75.56 C +HETATM 57 OD1 HYP A 9 0.483 8.285 12.080 1.00 70.96 O +ATOM 58 N GLY A 10 -0.589 11.644 8.188 1.00 73.51 N +ATOM 59 CA GLY A 10 -0.786 12.758 7.294 1.00 70.07 C +ATOM 60 C GLY A 10 -0.419 12.495 5.849 1.00 69.57 C +ATOM 61 O GLY A 10 -0.560 13.383 5.014 1.00 67.84 O +ATOM 62 N HIS A 11 0.052 11.304 5.514 1.00 72.45 N +ATOM 63 CA HIS A 11 0.472 10.982 4.155 1.00 76.34 C +ATOM 64 C HIS A 11 -0.096 9.649 3.719 1.00 76.28 C +ATOM 65 O HIS A 11 -0.106 8.683 4.484 1.00 71.53 O +ATOM 66 CB HIS A 11 1.997 10.910 4.058 1.00 72.27 C +ATOM 67 CG HIS A 11 2.698 12.135 4.534 1.00 69.54 C +ATOM 68 ND1 HIS A 11 3.152 12.286 5.827 1.00 65.67 N +ATOM 69 CD2 HIS A 11 3.012 13.280 3.886 1.00 63.17 C +ATOM 70 CE1 HIS A 11 3.715 13.472 5.941 1.00 63.89 C +ATOM 71 NE2 HIS A 11 3.653 14.103 4.786 1.00 63.57 N +ATOM 72 N GLU A 12 -0.564 9.593 2.478 1.00 69.24 N +ATOM 73 CA GLU A 12 -1.052 8.341 1.920 1.00 72.03 C +ATOM 74 C GLU A 12 0.155 7.465 1.599 1.00 72.36 C +ATOM 75 O GLU A 12 1.171 7.952 1.114 1.00 66.51 O +ATOM 76 CB GLU A 12 -1.865 8.619 0.653 1.00 66.73 C +ATOM 77 CG GLU A 12 -2.483 7.370 0.052 1.00 61.98 C +ATOM 78 CD GLU A 12 -3.362 7.666 -1.153 1.00 58.64 C +ATOM 79 OE1 GLU A 12 -3.445 8.835 -1.565 1.00 56.07 O +ATOM 80 OE2 GLU A 12 -3.956 6.716 -1.685 1.00 57.74 O +ATOM 81 N GLY A 13 0.026 6.177 1.869 1.00 80.18 N +ATOM 82 CA GLY A 13 1.118 5.266 1.590 1.00 77.79 C +ATOM 83 C GLY A 13 1.313 5.053 0.107 1.00 79.03 C +ATOM 84 O GLY A 13 0.421 5.339 -0.697 1.00 77.72 O +ATOM 85 N PRO A 14 2.471 4.551 -0.292 1.00 76.54 N +ATOM 86 CA PRO A 14 2.731 4.277 -1.699 1.00 77.08 C +ATOM 87 C PRO A 14 1.981 3.024 -2.127 1.00 78.00 C +ATOM 88 O PRO A 14 1.566 2.222 -1.301 1.00 74.51 O +ATOM 89 CB PRO A 14 4.240 4.063 -1.750 1.00 73.20 C +ATOM 90 CG PRO A 14 4.554 3.495 -0.409 1.00 71.96 C +ATOM 91 CD PRO A 14 3.642 4.235 0.541 1.00 71.73 C +HETATM 92 N HYP A 15 1.832 2.858 -3.406 1.00 70.68 N +HETATM 93 CA HYP A 15 1.250 1.670 -3.935 1.00 69.97 C +HETATM 94 C HYP A 15 2.043 0.437 -3.510 1.00 70.28 C +HETATM 95 O HYP A 15 3.273 0.543 -3.351 1.00 76.79 O +HETATM 96 CB HYP A 15 1.299 1.921 -5.452 1.00 70.69 C +HETATM 97 CG HYP A 15 1.211 3.428 -5.544 1.00 72.42 C +HETATM 98 CD HYP A 15 2.064 3.874 -4.417 1.00 78.39 C +HETATM 99 OD1 HYP A 15 -0.108 3.874 -5.371 1.00 75.83 O +ATOM 100 N GLY A 16 1.389 -0.631 -3.341 1.00 73.81 N +ATOM 101 CA GLY A 16 2.071 -1.844 -2.974 1.00 70.57 C +ATOM 102 C GLY A 16 2.863 -2.401 -4.140 1.00 70.70 C +ATOM 103 O GLY A 16 2.752 -1.920 -5.270 1.00 70.23 O +ATOM 104 N PRO A 17 3.656 -3.438 -3.886 1.00 70.81 N +ATOM 105 CA PRO A 17 4.426 -4.065 -4.960 1.00 72.08 C +ATOM 106 C PRO A 17 3.488 -4.703 -5.968 1.00 70.81 C +ATOM 107 O PRO A 17 2.344 -5.005 -5.657 1.00 69.51 O +ATOM 108 CB PRO A 17 5.251 -5.135 -4.240 1.00 69.58 C +ATOM 109 CG PRO A 17 5.201 -4.787 -2.804 1.00 67.55 C +ATOM 110 CD PRO A 17 3.909 -4.069 -2.591 1.00 66.70 C +HETATM 111 N HYP A 18 3.966 -4.947 -7.141 1.00 73.07 N +HETATM 112 CA HYP A 18 3.193 -5.671 -8.121 1.00 77.05 C +HETATM 113 C HYP A 18 2.808 -7.048 -7.601 1.00 70.18 C +HETATM 114 O HYP A 18 3.537 -7.634 -6.794 1.00 78.61 O +HETATM 115 CB HYP A 18 4.206 -5.764 -9.251 1.00 69.60 C +HETATM 116 CG HYP A 18 5.052 -4.529 -9.118 1.00 68.02 C +HETATM 117 CD HYP A 18 5.208 -4.401 -7.634 1.00 74.50 C +HETATM 118 OD1 HYP A 18 4.403 -3.397 -9.625 1.00 76.22 O +ATOM 119 N GLY A 19 1.650 -7.518 -8.009 1.00 75.52 N +ATOM 120 CA GLY A 19 1.190 -8.813 -7.594 1.00 72.05 C +ATOM 121 C GLY A 19 2.084 -9.910 -8.144 1.00 72.92 C +ATOM 122 O GLY A 19 2.971 -9.655 -8.963 1.00 72.80 O +ATOM 123 N PRO A 20 1.840 -11.141 -7.715 1.00 66.50 N +ATOM 124 CA PRO A 20 2.652 -12.247 -8.198 1.00 69.29 C +ATOM 125 C PRO A 20 2.370 -12.522 -9.666 1.00 67.92 C +ATOM 126 O PRO A 20 1.352 -12.099 -10.199 1.00 67.29 O +ATOM 127 CB PRO A 20 2.214 -13.410 -7.305 1.00 65.95 C +ATOM 128 CG PRO A 20 0.821 -13.060 -6.913 1.00 62.42 C +ATOM 129 CD PRO A 20 0.831 -11.562 -6.763 1.00 62.66 C +HETATM 130 N HYP A 21 3.236 -13.219 -10.326 1.00 64.85 N +HETATM 131 CA HYP A 21 3.041 -13.625 -11.684 1.00 69.78 C +HETATM 132 C HYP A 21 1.757 -14.413 -11.905 1.00 67.19 C +HETATM 133 O HYP A 21 1.329 -15.094 -10.965 1.00 77.28 O +HETATM 134 CB HYP A 21 4.264 -14.489 -11.964 1.00 69.28 C +HETATM 135 CG HYP A 21 5.335 -13.953 -11.019 1.00 66.07 C +HETATM 136 CD HYP A 21 4.544 -13.597 -9.783 1.00 70.00 C +HETATM 137 OD1 HYP A 21 5.926 -12.773 -11.531 1.00 73.22 O +ATOM 138 N GLY A 22 1.101 -14.256 -13.010 1.00 69.92 N +ATOM 139 CA GLY A 22 -0.127 -14.938 -13.301 1.00 67.55 C +ATOM 140 C GLY A 22 0.064 -16.440 -13.360 1.00 66.90 C +ATOM 141 O GLY A 22 1.189 -16.935 -13.339 1.00 66.76 O +ATOM 142 N PRO A 23 -1.022 -17.184 -13.468 1.00 69.04 N +ATOM 143 CA PRO A 23 -0.942 -18.636 -13.540 1.00 74.05 C +ATOM 144 C PRO A 23 -0.201 -19.070 -14.786 1.00 72.84 C +ATOM 145 O PRO A 23 -0.196 -18.360 -15.797 1.00 69.13 O +ATOM 146 CB PRO A 23 -2.402 -19.081 -13.601 1.00 67.97 C +ATOM 147 CG PRO A 23 -3.163 -17.933 -13.044 1.00 62.34 C +ATOM 148 CD PRO A 23 -2.404 -16.717 -13.461 1.00 64.68 C +HETATM 149 N HYP A 24 0.374 -20.209 -14.793 1.00 74.95 N +HETATM 150 CA HYP A 24 1.057 -20.646 -16.020 1.00 67.44 C +HETATM 151 C HYP A 24 -0.027 -20.853 -17.077 1.00 70.08 C +HETATM 152 O HYP A 24 0.166 -20.294 -18.127 1.00 74.33 O +HETATM 153 CB HYP A 24 1.619 -22.045 -15.569 1.00 68.10 C +HETATM 154 CG HYP A 24 1.641 -22.071 -14.060 1.00 70.55 C +HETATM 155 CD HYP A 24 0.502 -21.129 -13.640 1.00 74.70 C +HETATM 156 OD1 HYP A 24 2.862 -21.510 -13.607 1.00 75.75 O +HETATM 157 OXT HYP A 24 -1.042 -21.549 -16.786 1.00 73.41 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_337.txt b/protein_pdb_337.txt new file mode 100644 index 0000000000000000000000000000000000000000..8932ccda298f7bab4b7c56e6949d1152ed093b7d --- /dev/null +++ b/protein_pdb_337.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 5.209 -15.345 -4.236 1.00 72.84 N +ATOM 2 CA GLY A 1 4.620 -14.591 -5.330 1.00 74.61 C +ATOM 3 C GLY A 1 5.163 -13.188 -5.372 1.00 75.60 C +ATOM 4 O GLY A 1 5.954 -12.799 -4.516 1.00 73.02 O +ATOM 5 N PRO A 2 4.742 -12.414 -6.344 1.00 76.14 N +ATOM 6 CA PRO A 2 5.237 -11.053 -6.479 1.00 79.05 C +ATOM 7 C PRO A 2 4.665 -10.137 -5.409 1.00 79.13 C +ATOM 8 O PRO A 2 3.679 -10.453 -4.759 1.00 76.61 O +ATOM 9 CB PRO A 2 4.764 -10.639 -7.869 1.00 75.61 C +ATOM 10 CG PRO A 2 3.533 -11.442 -8.081 1.00 69.98 C +ATOM 11 CD PRO A 2 3.777 -12.754 -7.394 1.00 69.21 C +HETATM 12 N HYP A 3 5.309 -9.066 -5.252 1.00 75.85 N +HETATM 13 CA HYP A 3 4.792 -8.014 -4.347 1.00 79.18 C +HETATM 14 C HYP A 3 3.406 -7.611 -4.707 1.00 83.08 C +HETATM 15 O HYP A 3 3.024 -7.687 -5.899 1.00 84.22 O +HETATM 16 CB HYP A 3 5.815 -6.883 -4.555 1.00 80.20 C +HETATM 17 CG HYP A 3 7.098 -7.605 -4.946 1.00 77.92 C +HETATM 18 CD HYP A 3 6.578 -8.741 -5.844 1.00 80.45 C +HETATM 19 OD1 HYP A 3 7.697 -8.139 -3.793 1.00 81.90 O +ATOM 20 N GLY A 4 2.633 -7.288 -3.734 1.00 85.01 N +ATOM 21 CA GLY A 4 1.290 -6.835 -3.962 1.00 84.37 C +ATOM 22 C GLY A 4 1.279 -5.478 -4.635 1.00 84.60 C +ATOM 23 O GLY A 4 2.315 -4.837 -4.795 1.00 83.90 O +ATOM 24 N PRO A 5 0.103 -5.044 -5.033 1.00 85.74 N +ATOM 25 CA PRO A 5 -0.005 -3.744 -5.679 1.00 85.89 C +ATOM 26 C PRO A 5 0.236 -2.615 -4.693 1.00 86.20 C +ATOM 27 O PRO A 5 0.145 -2.791 -3.482 1.00 84.35 O +ATOM 28 CB PRO A 5 -1.443 -3.729 -6.197 1.00 83.59 C +ATOM 29 CG PRO A 5 -2.166 -4.634 -5.267 1.00 81.04 C +ATOM 30 CD PRO A 5 -1.195 -5.707 -4.901 1.00 82.22 C +HETATM 31 N HYP A 6 0.577 -1.461 -5.227 1.00 86.16 N +HETATM 32 CA HYP A 6 0.709 -0.277 -4.401 1.00 90.05 C +HETATM 33 C HYP A 6 -0.514 -0.006 -3.618 1.00 85.65 C +HETATM 34 O HYP A 6 -1.649 -0.313 -4.085 1.00 87.52 O +HETATM 35 CB HYP A 6 0.986 0.803 -5.468 1.00 84.68 C +HETATM 36 CG HYP A 6 1.613 0.061 -6.602 1.00 81.86 C +HETATM 37 CD HYP A 6 0.875 -1.239 -6.618 1.00 83.03 C +HETATM 38 OD1 HYP A 6 2.978 -0.167 -6.317 1.00 84.78 O +ATOM 39 N GLY A 7 -0.355 0.482 -2.443 1.00 85.93 N +ATOM 40 CA GLY A 7 -1.468 0.837 -1.607 1.00 83.25 C +ATOM 41 C GLY A 7 -2.267 1.967 -2.211 1.00 83.74 C +ATOM 42 O GLY A 7 -1.868 2.577 -3.205 1.00 82.79 O +ATOM 43 N PRO A 8 -3.412 2.242 -1.615 1.00 86.90 N +ATOM 44 CA PRO A 8 -4.251 3.310 -2.137 1.00 86.05 C +ATOM 45 C PRO A 8 -3.634 4.670 -1.876 1.00 86.32 C +ATOM 46 O PRO A 8 -2.840 4.856 -0.966 1.00 84.14 O +ATOM 47 CB PRO A 8 -5.560 3.137 -1.380 1.00 83.47 C +ATOM 48 CG PRO A 8 -5.151 2.501 -0.106 1.00 83.64 C +ATOM 49 CD PRO A 8 -3.993 1.603 -0.449 1.00 84.31 C +HETATM 50 N HYP A 9 -4.041 5.646 -2.696 1.00 82.39 N +HETATM 51 CA HYP A 9 -3.590 6.958 -2.517 1.00 88.15 C +HETATM 52 C HYP A 9 -4.097 7.527 -1.199 1.00 83.48 C +HETATM 53 O HYP A 9 -5.158 7.093 -0.705 1.00 84.07 O +HETATM 54 CB HYP A 9 -4.352 7.723 -3.659 1.00 78.47 C +HETATM 55 CG HYP A 9 -4.698 6.681 -4.664 1.00 76.47 C +HETATM 56 CD HYP A 9 -4.898 5.455 -3.878 1.00 81.81 C +HETATM 57 OD1 HYP A 9 -3.579 6.497 -5.511 1.00 79.61 O +ATOM 58 N GLY A 10 -3.378 8.378 -0.607 1.00 84.90 N +ATOM 59 CA GLY A 10 -3.884 9.088 0.548 1.00 81.89 C +ATOM 60 C GLY A 10 -5.006 10.010 0.118 1.00 83.87 C +ATOM 61 O GLY A 10 -5.366 10.070 -1.057 1.00 80.38 O +ATOM 62 N HIS A 11 -5.559 10.713 1.053 1.00 79.82 N +ATOM 63 CA HIS A 11 -6.600 11.668 0.691 1.00 84.56 C +ATOM 64 C HIS A 11 -6.090 12.572 -0.426 1.00 83.81 C +ATOM 65 O HIS A 11 -6.819 12.870 -1.371 1.00 80.70 O +ATOM 66 CB HIS A 11 -7.022 12.485 1.911 1.00 83.12 C +ATOM 67 CG HIS A 11 -7.768 11.666 2.923 1.00 79.94 C +ATOM 68 ND1 HIS A 11 -7.142 10.952 3.901 1.00 75.63 N +ATOM 69 CD2 HIS A 11 -9.090 11.458 3.081 1.00 72.51 C +ATOM 70 CE1 HIS A 11 -8.062 10.328 4.622 1.00 74.15 C +ATOM 71 NE2 HIS A 11 -9.251 10.617 4.157 1.00 75.79 N +ATOM 72 N THR A 12 -4.850 12.995 -0.306 1.00 78.48 N +ATOM 73 CA THR A 12 -4.114 13.648 -1.383 1.00 79.63 C +ATOM 74 C THR A 12 -2.680 13.168 -1.242 1.00 79.89 C +ATOM 75 O THR A 12 -1.942 13.621 -0.370 1.00 75.12 O +ATOM 76 CB THR A 12 -4.160 15.187 -1.277 1.00 77.45 C +ATOM 77 OG1 THR A 12 -3.577 15.600 -0.052 1.00 72.33 O +ATOM 78 CG2 THR A 12 -5.584 15.712 -1.353 1.00 69.73 C +ATOM 79 N GLY A 13 -2.280 12.246 -2.072 1.00 84.57 N +ATOM 80 CA GLY A 13 -0.938 11.730 -1.939 1.00 81.51 C +ATOM 81 C GLY A 13 -0.707 10.532 -2.825 1.00 81.93 C +ATOM 82 O GLY A 13 -1.634 10.028 -3.458 1.00 83.05 O +ATOM 83 N PRO A 14 0.524 10.092 -2.888 1.00 82.40 N +ATOM 84 CA PRO A 14 0.886 8.979 -3.749 1.00 82.06 C +ATOM 85 C PRO A 14 0.378 7.657 -3.205 1.00 81.81 C +ATOM 86 O PRO A 14 0.008 7.539 -2.040 1.00 79.09 O +ATOM 87 CB PRO A 14 2.408 9.021 -3.756 1.00 79.33 C +ATOM 88 CG PRO A 14 2.752 9.583 -2.424 1.00 78.38 C +ATOM 89 CD PRO A 14 1.680 10.599 -2.141 1.00 78.14 C +HETATM 90 N HYP A 15 0.375 6.725 -4.069 1.00 83.07 N +HETATM 91 CA HYP A 15 0.065 5.366 -3.670 1.00 82.87 C +HETATM 92 C HYP A 15 1.002 4.893 -2.608 1.00 85.38 C +HETATM 93 O HYP A 15 2.161 5.363 -2.531 1.00 87.11 O +HETATM 94 CB HYP A 15 0.316 4.633 -5.010 1.00 81.24 C +HETATM 95 CG HYP A 15 0.071 5.672 -6.083 1.00 77.44 C +HETATM 96 CD HYP A 15 0.607 6.917 -5.479 1.00 83.63 C +HETATM 97 OD1 HYP A 15 -1.305 5.799 -6.307 1.00 83.75 O +ATOM 98 N GLY A 16 0.535 4.024 -1.802 1.00 88.34 N +ATOM 99 CA GLY A 16 1.384 3.417 -0.813 1.00 86.97 C +ATOM 100 C GLY A 16 2.373 2.470 -1.451 1.00 88.01 C +ATOM 101 O GLY A 16 2.357 2.250 -2.665 1.00 87.50 O +ATOM 102 N PRO A 17 3.254 1.907 -0.634 1.00 88.93 N +ATOM 103 CA PRO A 17 4.241 0.978 -1.163 1.00 88.15 C +ATOM 104 C PRO A 17 3.599 -0.330 -1.588 1.00 89.22 C +ATOM 105 O PRO A 17 2.480 -0.643 -1.195 1.00 87.48 O +ATOM 106 CB PRO A 17 5.202 0.783 0.010 1.00 86.23 C +ATOM 107 CG PRO A 17 4.369 1.044 1.207 1.00 86.13 C +ATOM 108 CD PRO A 17 3.386 2.098 0.809 1.00 86.61 C +HETATM 109 N HYP A 18 4.312 -1.081 -2.403 1.00 86.17 N +HETATM 110 CA HYP A 18 3.857 -2.384 -2.765 1.00 88.25 C +HETATM 111 C HYP A 18 3.606 -3.251 -1.584 1.00 87.76 C +HETATM 112 O HYP A 18 4.284 -3.104 -0.548 1.00 88.88 O +HETATM 113 CB HYP A 18 5.042 -2.905 -3.597 1.00 86.40 C +HETATM 114 CG HYP A 18 5.673 -1.675 -4.170 1.00 84.36 C +HETATM 115 CD HYP A 18 5.540 -0.687 -3.050 1.00 87.55 C +HETATM 116 OD1 HYP A 18 4.925 -1.250 -5.285 1.00 86.00 O +ATOM 117 N GLY A 19 2.633 -4.080 -1.685 1.00 87.93 N +ATOM 118 CA GLY A 19 2.337 -5.010 -0.638 1.00 87.08 C +ATOM 119 C GLY A 19 3.423 -6.048 -0.492 1.00 87.60 C +ATOM 120 O GLY A 19 4.372 -6.092 -1.273 1.00 87.01 O +ATOM 121 N PRO A 20 3.285 -6.898 0.511 1.00 83.83 N +ATOM 122 CA PRO A 20 4.280 -7.931 0.725 1.00 83.16 C +ATOM 123 C PRO A 20 4.216 -8.987 -0.358 1.00 83.41 C +ATOM 124 O PRO A 20 3.233 -9.093 -1.081 1.00 81.43 O +ATOM 125 CB PRO A 20 3.897 -8.503 2.086 1.00 80.08 C +ATOM 126 CG PRO A 20 2.435 -8.259 2.173 1.00 78.37 C +ATOM 127 CD PRO A 20 2.197 -6.959 1.473 1.00 78.83 C +HETATM 128 N HYP A 21 5.277 -9.751 -0.468 1.00 82.65 N +HETATM 129 CA HYP A 21 5.288 -10.842 -1.388 1.00 85.56 C +HETATM 130 C HYP A 21 4.146 -11.819 -1.178 1.00 82.17 C +HETATM 131 O HYP A 21 3.734 -11.994 -0.034 1.00 86.98 O +HETATM 132 CB HYP A 21 6.630 -11.503 -1.173 1.00 82.82 C +HETATM 133 CG HYP A 21 7.504 -10.408 -0.621 1.00 81.37 C +HETATM 134 CD HYP A 21 6.562 -9.593 0.210 1.00 84.36 C +HETATM 135 OD1 HYP A 21 7.966 -9.582 -1.691 1.00 84.18 O +ATOM 136 N GLY A 22 3.581 -12.286 -2.237 1.00 84.80 N +ATOM 137 CA GLY A 22 2.503 -13.224 -2.156 1.00 82.99 C +ATOM 138 C GLY A 22 2.973 -14.563 -1.619 1.00 82.52 C +ATOM 139 O GLY A 22 4.147 -14.733 -1.294 1.00 81.23 O +ATOM 140 N PRO A 23 2.075 -15.530 -1.545 1.00 84.81 N +ATOM 141 CA PRO A 23 2.454 -16.859 -1.088 1.00 84.99 C +ATOM 142 C PRO A 23 3.541 -17.439 -1.965 1.00 84.42 C +ATOM 143 O PRO A 23 3.625 -17.123 -3.150 1.00 80.43 O +ATOM 144 CB PRO A 23 1.172 -17.660 -1.206 1.00 80.12 C +ATOM 145 CG PRO A 23 0.096 -16.634 -1.169 1.00 77.74 C +ATOM 146 CD PRO A 23 0.666 -15.443 -1.863 1.00 79.08 C +HETATM 147 N HYP A 24 4.334 -18.268 -1.502 1.00 81.06 N +HETATM 148 CA HYP A 24 5.417 -18.753 -2.308 1.00 79.33 C +HETATM 149 C HYP A 24 5.219 -18.626 -3.736 1.00 79.89 C +HETATM 150 O HYP A 24 4.590 -19.503 -4.341 1.00 77.09 O +HETATM 151 CB HYP A 24 5.878 -19.979 -1.653 1.00 78.79 C +HETATM 152 CG HYP A 24 5.304 -19.936 -0.234 1.00 78.21 C +HETATM 153 CD HYP A 24 4.051 -19.079 -0.359 1.00 82.03 C +HETATM 154 OD1 HYP A 24 6.200 -19.237 0.630 1.00 78.24 O +HETATM 155 OXT HYP A 24 5.701 -17.570 -4.248 1.00 72.65 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_338.txt b/protein_pdb_338.txt new file mode 100644 index 0000000000000000000000000000000000000000..71c96dba5f8a44f7378bfff4a0829c2e68c7265f --- /dev/null +++ b/protein_pdb_338.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 -2.761 -5.675 2.285 1.00 77.60 N +ATOM 2 CA GLY A 1 -3.469 -5.034 1.191 1.00 81.33 C +ATOM 3 C GLY A 1 -2.573 -4.848 -0.010 1.00 83.02 C +ATOM 4 O GLY A 1 -1.393 -5.186 0.033 1.00 79.11 O +ATOM 5 N PRO A 2 -3.116 -4.291 -1.086 1.00 82.12 N +ATOM 6 CA PRO A 2 -2.339 -4.085 -2.306 1.00 85.38 C +ATOM 7 C PRO A 2 -1.358 -2.929 -2.149 1.00 86.34 C +ATOM 8 O PRO A 2 -1.437 -2.151 -1.210 1.00 84.25 O +ATOM 9 CB PRO A 2 -3.407 -3.766 -3.345 1.00 81.44 C +ATOM 10 CG PRO A 2 -4.485 -3.112 -2.560 1.00 78.10 C +ATOM 11 CD PRO A 2 -4.488 -3.812 -1.225 1.00 77.90 C +HETATM 12 N HYP A 3 -0.434 -2.803 -3.044 1.00 83.66 N +HETATM 13 CA HYP A 3 0.491 -1.716 -3.112 1.00 88.55 C +HETATM 14 C HYP A 3 -0.210 -0.346 -3.168 1.00 87.08 C +HETATM 15 O HYP A 3 -1.316 -0.225 -3.735 1.00 86.37 O +HETATM 16 CB HYP A 3 1.280 -2.026 -4.374 1.00 83.68 C +HETATM 17 CG HYP A 3 1.267 -3.510 -4.419 1.00 77.71 C +HETATM 18 CD HYP A 3 -0.148 -3.805 -4.019 1.00 82.78 C +HETATM 19 OD1 HYP A 3 2.149 -4.105 -3.505 1.00 83.38 O +ATOM 20 N GLY A 4 0.358 0.589 -2.522 1.00 92.12 N +ATOM 21 CA GLY A 4 -0.215 1.901 -2.484 1.00 91.79 C +ATOM 22 C GLY A 4 -0.119 2.589 -3.835 1.00 90.91 C +ATOM 23 O GLY A 4 0.417 2.030 -4.790 1.00 89.94 O +ATOM 24 N PRO A 5 -0.643 3.795 -3.902 1.00 91.92 N +ATOM 25 CA PRO A 5 -0.601 4.542 -5.157 1.00 91.58 C +ATOM 26 C PRO A 5 0.816 4.987 -5.475 1.00 91.33 C +ATOM 27 O PRO A 5 1.680 5.020 -4.603 1.00 89.65 O +ATOM 28 CB PRO A 5 -1.518 5.728 -4.889 1.00 89.07 C +ATOM 29 CG PRO A 5 -1.401 5.944 -3.426 1.00 88.15 C +ATOM 30 CD PRO A 5 -1.258 4.567 -2.833 1.00 90.10 C +HETATM 31 N HYP A 6 1.011 5.371 -6.713 1.00 89.98 N +HETATM 32 CA HYP A 6 2.292 5.882 -7.113 1.00 91.45 C +HETATM 33 C HYP A 6 2.655 7.152 -6.342 1.00 90.48 C +HETATM 34 O HYP A 6 1.793 8.010 -6.045 1.00 88.04 O +HETATM 35 CB HYP A 6 2.068 6.173 -8.591 1.00 86.73 C +HETATM 36 CG HYP A 6 0.992 5.211 -9.013 1.00 84.49 C +HETATM 37 CD HYP A 6 0.093 5.177 -7.819 1.00 88.59 C +HETATM 38 OD1 HYP A 6 1.486 3.924 -9.254 1.00 83.34 O +ATOM 39 N GLY A 7 3.909 7.203 -5.898 1.00 89.81 N +ATOM 40 CA GLY A 7 4.367 8.337 -5.138 1.00 88.16 C +ATOM 41 C GLY A 7 4.671 9.513 -6.040 1.00 88.83 C +ATOM 42 O GLY A 7 4.466 9.457 -7.260 1.00 88.42 O +ATOM 43 N PRO A 8 5.191 10.590 -5.462 1.00 89.71 N +ATOM 44 CA PRO A 8 5.596 11.739 -6.258 1.00 89.75 C +ATOM 45 C PRO A 8 6.747 11.342 -7.176 1.00 90.21 C +ATOM 46 O PRO A 8 7.413 10.333 -6.950 1.00 88.72 O +ATOM 47 CB PRO A 8 6.064 12.758 -5.215 1.00 87.30 C +ATOM 48 CG PRO A 8 5.506 12.280 -3.935 1.00 87.02 C +ATOM 49 CD PRO A 8 5.407 10.794 -4.038 1.00 88.36 C +HETATM 50 N HYP A 9 6.960 12.170 -8.207 1.00 84.35 N +HETATM 51 CA HYP A 9 8.101 11.945 -9.032 1.00 88.87 C +HETATM 52 C HYP A 9 9.317 11.705 -8.299 1.00 85.57 C +HETATM 53 O HYP A 9 9.589 12.442 -7.326 1.00 84.64 O +HETATM 54 CB HYP A 9 8.088 13.217 -9.938 1.00 83.78 C +HETATM 55 CG HYP A 9 6.613 13.643 -9.988 1.00 81.72 C +HETATM 56 CD HYP A 9 6.097 13.242 -8.629 1.00 83.14 C +HETATM 57 OD1 HYP A 9 5.889 12.904 -10.961 1.00 80.98 O +ATOM 58 N GLY A 10 10.095 10.587 -8.502 1.00 88.41 N +ATOM 59 CA GLY A 10 11.321 10.249 -7.818 1.00 85.87 C +ATOM 60 C GLY A 10 11.149 9.390 -6.575 1.00 85.71 C +ATOM 61 O GLY A 10 12.139 8.970 -5.992 1.00 84.46 O +ATOM 62 N PHE A 11 9.916 9.119 -6.142 1.00 88.85 N +ATOM 63 CA PHE A 11 9.653 8.326 -4.949 1.00 89.04 C +ATOM 64 C PHE A 11 8.596 7.275 -5.227 1.00 89.18 C +ATOM 65 O PHE A 11 7.570 7.557 -5.850 1.00 87.19 O +ATOM 66 CB PHE A 11 9.162 9.211 -3.794 1.00 86.03 C +ATOM 67 CG PHE A 11 10.137 10.272 -3.375 1.00 80.50 C +ATOM 68 CD1 PHE A 11 10.129 11.509 -3.989 1.00 77.93 C +ATOM 69 CD2 PHE A 11 11.064 10.029 -2.377 1.00 77.39 C +ATOM 70 CE1 PHE A 11 11.033 12.496 -3.620 1.00 76.24 C +ATOM 71 CE2 PHE A 11 11.968 11.008 -1.994 1.00 77.22 C +ATOM 72 CZ PHE A 11 11.957 12.249 -2.616 1.00 76.27 C +ATOM 73 N MET A 12 8.833 6.056 -4.746 1.00 85.04 N +ATOM 74 CA MET A 12 7.839 4.995 -4.840 1.00 85.69 C +ATOM 75 C MET A 12 6.719 5.284 -3.854 1.00 85.74 C +ATOM 76 O MET A 12 6.957 5.810 -2.765 1.00 79.78 O +ATOM 77 CB MET A 12 8.496 3.651 -4.526 1.00 80.31 C +ATOM 78 CG MET A 12 7.553 2.474 -4.647 1.00 77.07 C +ATOM 79 SD MET A 12 8.412 0.905 -4.443 1.00 73.27 S +ATOM 80 CE MET A 12 9.380 0.868 -5.931 1.00 67.74 C +ATOM 81 N GLY A 13 5.510 4.912 -4.229 1.00 88.88 N +ATOM 82 CA GLY A 13 4.386 5.093 -3.333 1.00 87.19 C +ATOM 83 C GLY A 13 4.513 4.194 -2.119 1.00 87.33 C +ATOM 84 O GLY A 13 5.255 3.205 -2.130 1.00 86.98 O +ATOM 85 N PRO A 14 3.808 4.518 -1.050 1.00 85.24 N +ATOM 86 CA PRO A 14 3.859 3.697 0.152 1.00 84.98 C +ATOM 87 C PRO A 14 3.062 2.418 -0.041 1.00 85.30 C +ATOM 88 O PRO A 14 2.242 2.315 -0.950 1.00 83.02 O +ATOM 89 CB PRO A 14 3.221 4.590 1.216 1.00 81.96 C +ATOM 90 CG PRO A 14 2.252 5.417 0.440 1.00 82.60 C +ATOM 91 CD PRO A 14 2.922 5.666 -0.887 1.00 82.93 C +HETATM 92 N HYP A 15 3.292 1.474 0.797 1.00 83.78 N +HETATM 93 CA HYP A 15 2.503 0.261 0.829 1.00 84.17 C +HETATM 94 C HYP A 15 1.043 0.575 1.055 1.00 86.78 C +HETATM 95 O HYP A 15 0.740 1.577 1.747 1.00 85.53 O +HETATM 96 CB HYP A 15 3.162 -0.494 1.987 1.00 79.88 C +HETATM 97 CG HYP A 15 4.609 0.002 1.953 1.00 80.35 C +HETATM 98 CD HYP A 15 4.445 1.456 1.664 1.00 84.87 C +HETATM 99 OD1 HYP A 15 5.351 -0.617 0.915 1.00 82.54 O +ATOM 100 N GLY A 16 0.170 -0.192 0.463 1.00 88.21 N +ATOM 101 CA GLY A 16 -1.239 0.006 0.661 1.00 87.17 C +ATOM 102 C GLY A 16 -1.638 -0.320 2.087 1.00 87.70 C +ATOM 103 O GLY A 16 -0.841 -0.843 2.872 1.00 87.48 O +ATOM 104 N PRO A 17 -2.881 -0.021 2.434 1.00 81.11 N +ATOM 105 CA PRO A 17 -3.350 -0.323 3.781 1.00 81.78 C +ATOM 106 C PRO A 17 -3.492 -1.825 3.972 1.00 81.71 C +ATOM 107 O PRO A 17 -3.552 -2.583 3.007 1.00 80.14 O +ATOM 108 CB PRO A 17 -4.698 0.383 3.855 1.00 79.42 C +ATOM 109 CG PRO A 17 -5.149 0.459 2.443 1.00 79.90 C +ATOM 110 CD PRO A 17 -3.904 0.618 1.618 1.00 80.79 C +HETATM 111 N HYP A 18 -3.555 -2.231 5.229 1.00 79.37 N +HETATM 112 CA HYP A 18 -3.781 -3.629 5.504 1.00 84.05 C +HETATM 113 C HYP A 18 -5.067 -4.132 4.872 1.00 80.68 C +HETATM 114 O HYP A 18 -6.054 -3.351 4.773 1.00 84.89 O +HETATM 115 CB HYP A 18 -3.845 -3.632 7.025 1.00 76.81 C +HETATM 116 CG HYP A 18 -3.014 -2.439 7.470 1.00 74.55 C +HETATM 117 CD HYP A 18 -3.329 -1.418 6.417 1.00 81.57 C +HETATM 118 OD1 HYP A 18 -1.630 -2.727 7.446 1.00 79.94 O +ATOM 119 N GLY A 19 -5.058 -5.338 4.360 1.00 79.62 N +ATOM 120 CA GLY A 19 -6.237 -5.910 3.768 1.00 76.95 C +ATOM 121 C GLY A 19 -7.324 -6.104 4.810 1.00 77.32 C +ATOM 122 O GLY A 19 -7.076 -5.984 6.018 1.00 78.76 O +ATOM 123 N PRO A 20 -8.533 -6.407 4.356 1.00 69.50 N +ATOM 124 CA PRO A 20 -9.621 -6.615 5.297 1.00 71.79 C +ATOM 125 C PRO A 20 -9.445 -7.935 6.039 1.00 71.12 C +ATOM 126 O PRO A 20 -8.697 -8.808 5.609 1.00 72.09 O +ATOM 127 CB PRO A 20 -10.858 -6.640 4.396 1.00 68.29 C +ATOM 128 CG PRO A 20 -10.340 -7.102 3.082 1.00 64.93 C +ATOM 129 CD PRO A 20 -8.947 -6.554 2.970 1.00 66.11 C +HETATM 130 N HYP A 21 -10.121 -8.079 7.161 1.00 73.85 N +HETATM 131 CA HYP A 21 -10.132 -9.317 7.876 1.00 80.68 C +HETATM 132 C HYP A 21 -10.628 -10.475 7.046 1.00 75.99 C +HETATM 133 O HYP A 21 -11.488 -10.254 6.156 1.00 82.03 O +HETATM 134 CB HYP A 21 -11.080 -9.032 9.035 1.00 74.84 C +HETATM 135 CG HYP A 21 -11.015 -7.527 9.247 1.00 72.01 C +HETATM 136 CD HYP A 21 -10.847 -7.007 7.834 1.00 77.12 C +HETATM 137 OD1 HYP A 21 -9.847 -7.182 9.995 1.00 77.53 O +ATOM 138 N GLY A 22 -10.080 -11.657 7.194 1.00 74.12 N +ATOM 139 CA GLY A 22 -10.478 -12.809 6.434 1.00 72.35 C +ATOM 140 C GLY A 22 -11.920 -13.201 6.725 1.00 70.30 C +ATOM 141 O GLY A 22 -12.543 -12.675 7.650 1.00 71.75 O +ATOM 142 N PRO A 23 -12.460 -14.160 5.957 1.00 81.24 N +ATOM 143 CA PRO A 23 -13.836 -14.593 6.182 1.00 83.75 C +ATOM 144 C PRO A 23 -13.954 -15.344 7.489 1.00 82.64 C +ATOM 145 O PRO A 23 -12.993 -15.936 7.980 1.00 80.12 O +ATOM 146 CB PRO A 23 -14.144 -15.509 5.003 1.00 78.43 C +ATOM 147 CG PRO A 23 -12.905 -15.635 4.226 1.00 73.12 C +ATOM 148 CD PRO A 23 -11.811 -14.864 4.871 1.00 77.45 C +HETATM 149 N HYP A 24 -15.148 -15.393 8.062 1.00 86.05 N +HETATM 150 CA HYP A 24 -15.287 -16.107 9.325 1.00 82.74 C +HETATM 151 C HYP A 24 -15.051 -17.591 9.067 1.00 79.98 C +HETATM 152 O HYP A 24 -15.722 -18.165 8.177 1.00 86.68 O +HETATM 153 CB HYP A 24 -16.799 -15.902 9.683 1.00 80.14 C +HETATM 154 CG HYP A 24 -17.309 -14.783 8.809 1.00 78.10 C +HETATM 155 CD HYP A 24 -16.368 -14.761 7.594 1.00 85.63 C +HETATM 156 OD1 HYP A 24 -17.151 -13.539 9.490 1.00 82.52 O +HETATM 157 OXT HYP A 24 -14.111 -18.070 9.702 1.00 80.01 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_339.txt b/protein_pdb_339.txt new file mode 100644 index 0000000000000000000000000000000000000000..2049198eb709d19229786191ec4c8acfad6157ff --- /dev/null +++ b/protein_pdb_339.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -8.122 14.106 0.966 1.00 89.00 N +ATOM 2 CA GLY A 1 -8.294 12.968 0.122 1.00 89.12 C +ATOM 3 C GLY A 1 -8.492 11.657 0.856 1.00 90.14 C +ATOM 4 O GLY A 1 -8.299 11.579 2.067 1.00 88.15 O +ATOM 5 N PRO A 2 -8.839 10.654 0.138 1.00 85.32 N +ATOM 6 CA PRO A 2 -9.070 9.350 0.726 1.00 85.78 C +ATOM 7 C PRO A 2 -7.770 8.634 1.034 1.00 85.40 C +ATOM 8 O PRO A 2 -6.706 9.005 0.547 1.00 82.01 O +ATOM 9 CB PRO A 2 -9.850 8.624 -0.364 1.00 82.32 C +ATOM 10 CG PRO A 2 -9.341 9.234 -1.616 1.00 78.85 C +ATOM 11 CD PRO A 2 -9.088 10.684 -1.291 1.00 79.52 C +HETATM 12 N HYP A 3 -7.902 7.578 1.850 1.00 86.67 N +HETATM 13 CA HYP A 3 -6.724 6.785 2.142 1.00 84.86 C +HETATM 14 C HYP A 3 -6.200 6.092 0.891 1.00 85.28 C +HETATM 15 O HYP A 3 -6.985 5.795 -0.037 1.00 89.23 O +HETATM 16 CB HYP A 3 -7.318 5.665 3.088 1.00 84.40 C +HETATM 17 CG HYP A 3 -8.503 6.334 3.739 1.00 81.91 C +HETATM 18 CD HYP A 3 -9.071 7.210 2.574 1.00 85.87 C +HETATM 19 OD1 HYP A 3 -8.045 7.166 4.759 1.00 83.28 O +ATOM 20 N GLY A 4 -4.912 5.933 0.851 1.00 89.12 N +ATOM 21 CA GLY A 4 -4.311 5.240 -0.252 1.00 88.57 C +ATOM 22 C GLY A 4 -4.654 3.764 -0.244 1.00 89.84 C +ATOM 23 O GLY A 4 -5.226 3.247 0.714 1.00 89.56 O +ATOM 24 N PRO A 5 -4.307 3.067 -1.321 1.00 88.04 N +ATOM 25 CA PRO A 5 -4.592 1.644 -1.404 1.00 87.39 C +ATOM 26 C PRO A 5 -3.698 0.842 -0.477 1.00 87.40 C +ATOM 27 O PRO A 5 -2.661 1.316 -0.024 1.00 85.76 O +ATOM 28 CB PRO A 5 -4.317 1.315 -2.867 1.00 85.86 C +ATOM 29 CG PRO A 5 -3.283 2.310 -3.257 1.00 83.66 C +ATOM 30 CD PRO A 5 -3.607 3.559 -2.497 1.00 84.79 C +HETATM 31 N HYP A 6 -4.148 -0.410 -0.207 1.00 88.58 N +HETATM 32 CA HYP A 6 -3.305 -1.292 0.550 1.00 91.66 C +HETATM 33 C HYP A 6 -1.980 -1.522 -0.117 1.00 88.45 C +HETATM 34 O HYP A 6 -1.896 -1.507 -1.373 1.00 90.60 O +HETATM 35 CB HYP A 6 -4.139 -2.594 0.595 1.00 85.37 C +HETATM 36 CG HYP A 6 -5.574 -2.132 0.448 1.00 85.52 C +HETATM 37 CD HYP A 6 -5.437 -0.978 -0.546 1.00 88.76 C +HETATM 38 OD1 HYP A 6 -6.048 -1.644 1.680 1.00 86.21 O +ATOM 39 N GLY A 7 -0.951 -1.626 0.653 1.00 88.02 N +ATOM 40 CA GLY A 7 0.357 -1.899 0.121 1.00 86.36 C +ATOM 41 C GLY A 7 0.434 -3.278 -0.501 1.00 87.43 C +ATOM 42 O GLY A 7 -0.471 -4.098 -0.361 1.00 87.02 O +ATOM 43 N PRO A 8 1.527 -3.549 -1.190 1.00 86.24 N +ATOM 44 CA PRO A 8 1.690 -4.847 -1.825 1.00 85.17 C +ATOM 45 C PRO A 8 1.980 -5.932 -0.802 1.00 84.93 C +ATOM 46 O PRO A 8 2.408 -5.658 0.317 1.00 82.50 O +ATOM 47 CB PRO A 8 2.867 -4.637 -2.767 1.00 82.36 C +ATOM 48 CG PRO A 8 3.653 -3.563 -2.115 1.00 81.95 C +ATOM 49 CD PRO A 8 2.659 -2.673 -1.438 1.00 83.08 C +HETATM 50 N HYP A 9 1.748 -7.208 -1.215 1.00 85.37 N +HETATM 51 CA HYP A 9 2.081 -8.301 -0.390 1.00 82.09 C +HETATM 52 C HYP A 9 3.555 -8.396 -0.133 1.00 85.75 C +HETATM 53 O HYP A 9 4.373 -8.004 -0.973 1.00 85.43 O +HETATM 54 CB HYP A 9 1.628 -9.529 -1.222 1.00 79.38 C +HETATM 55 CG HYP A 9 0.584 -9.001 -2.146 1.00 80.64 C +HETATM 56 CD HYP A 9 1.044 -7.593 -2.445 1.00 84.57 C +HETATM 57 OD1 HYP A 9 -0.649 -8.943 -1.457 1.00 78.65 O +ATOM 58 N GLY A 10 3.974 -8.808 1.023 1.00 86.14 N +ATOM 59 CA GLY A 10 5.369 -9.043 1.303 1.00 82.58 C +ATOM 60 C GLY A 10 5.866 -10.273 0.567 1.00 82.48 C +ATOM 61 O GLY A 10 5.213 -10.780 -0.341 1.00 79.40 O +ATOM 62 N CYS A 11 7.040 -10.762 0.965 1.00 79.39 N +ATOM 63 CA CYS A 11 7.553 -11.997 0.375 1.00 84.04 C +ATOM 64 C CYS A 11 6.476 -13.059 0.401 1.00 84.32 C +ATOM 65 O CYS A 11 6.178 -13.701 -0.603 1.00 81.81 O +ATOM 66 CB CYS A 11 8.785 -12.462 1.136 1.00 81.48 C +ATOM 67 SG CYS A 11 10.091 -11.238 1.154 1.00 76.37 S +ATOM 68 N VAL A 12 5.918 -13.236 1.577 1.00 82.08 N +ATOM 69 CA VAL A 12 4.676 -13.958 1.811 1.00 85.05 C +ATOM 70 C VAL A 12 3.981 -13.150 2.888 1.00 85.65 C +ATOM 71 O VAL A 12 4.530 -12.972 3.975 1.00 81.65 O +ATOM 72 CB VAL A 12 4.901 -15.407 2.293 1.00 80.95 C +ATOM 73 CG1 VAL A 12 3.601 -15.998 2.790 1.00 74.96 C +ATOM 74 CG2 VAL A 12 5.475 -16.253 1.172 1.00 75.01 C +ATOM 75 N GLY A 13 2.824 -12.647 2.592 1.00 89.59 N +ATOM 76 CA GLY A 13 2.154 -11.863 3.603 1.00 88.51 C +ATOM 77 C GLY A 13 1.036 -11.042 3.027 1.00 89.63 C +ATOM 78 O GLY A 13 0.894 -10.924 1.806 1.00 89.80 O +ATOM 79 N PRO A 14 0.239 -10.492 3.905 1.00 89.72 N +ATOM 80 CA PRO A 14 -0.910 -9.718 3.480 1.00 89.35 C +ATOM 81 C PRO A 14 -0.501 -8.370 2.911 1.00 89.54 C +ATOM 82 O PRO A 14 0.630 -7.922 3.071 1.00 87.49 O +ATOM 83 CB PRO A 14 -1.715 -9.546 4.766 1.00 87.03 C +ATOM 84 CG PRO A 14 -0.683 -9.561 5.831 1.00 85.79 C +ATOM 85 CD PRO A 14 0.368 -10.533 5.360 1.00 86.37 C +HETATM 86 N HYP A 15 -1.463 -7.767 2.238 1.00 88.57 N +HETATM 87 CA HYP A 15 -1.245 -6.421 1.793 1.00 91.28 C +HETATM 88 C HYP A 15 -0.947 -5.509 2.932 1.00 90.97 C +HETATM 89 O HYP A 15 -1.390 -5.745 4.077 1.00 89.93 O +HETATM 90 CB HYP A 15 -2.637 -6.114 1.166 1.00 87.88 C +HETATM 91 CG HYP A 15 -3.162 -7.450 0.700 1.00 85.55 C +HETATM 92 CD HYP A 15 -2.716 -8.373 1.816 1.00 88.03 C +HETATM 93 OD1 HYP A 15 -2.568 -7.807 -0.506 1.00 86.27 O +ATOM 94 N GLY A 16 -0.160 -4.522 2.661 1.00 91.61 N +ATOM 95 CA GLY A 16 0.123 -3.533 3.666 1.00 90.76 C +ATOM 96 C GLY A 16 -1.106 -2.707 3.986 1.00 91.62 C +ATOM 97 O GLY A 16 -2.147 -2.822 3.332 1.00 91.48 O +ATOM 98 N PRO A 17 -0.978 -1.874 5.003 1.00 87.70 N +ATOM 99 CA PRO A 17 -2.099 -1.035 5.388 1.00 87.18 C +ATOM 100 C PRO A 17 -2.372 0.039 4.350 1.00 87.53 C +ATOM 101 O PRO A 17 -1.538 0.345 3.507 1.00 85.45 O +ATOM 102 CB PRO A 17 -1.646 -0.430 6.712 1.00 85.11 C +ATOM 103 CG PRO A 17 -0.168 -0.449 6.634 1.00 83.49 C +ATOM 104 CD PRO A 17 0.194 -1.660 5.838 1.00 84.38 C +HETATM 105 N HYP A 18 -3.585 0.590 4.409 1.00 85.26 N +HETATM 106 CA HYP A 18 -3.897 1.688 3.557 1.00 85.99 C +HETATM 107 C HYP A 18 -2.976 2.838 3.735 1.00 87.06 C +HETATM 108 O HYP A 18 -2.452 3.073 4.856 1.00 87.72 O +HETATM 109 CB HYP A 18 -5.334 2.043 4.019 1.00 83.46 C +HETATM 110 CG HYP A 18 -5.905 0.746 4.524 1.00 81.58 C +HETATM 111 CD HYP A 18 -4.706 0.130 5.213 1.00 85.92 C +HETATM 112 OD1 HYP A 18 -6.315 -0.059 3.444 1.00 84.76 O +ATOM 113 N GLY A 19 -2.693 3.516 2.671 1.00 86.11 N +ATOM 114 CA GLY A 19 -1.876 4.694 2.728 1.00 85.07 C +ATOM 115 C GLY A 19 -2.555 5.804 3.498 1.00 86.13 C +ATOM 116 O GLY A 19 -3.729 5.709 3.855 1.00 85.81 O +ATOM 117 N PRO A 20 -1.813 6.850 3.768 1.00 77.71 N +ATOM 118 CA PRO A 20 -2.371 7.958 4.527 1.00 77.88 C +ATOM 119 C PRO A 20 -3.381 8.745 3.710 1.00 76.93 C +ATOM 120 O PRO A 20 -3.385 8.705 2.483 1.00 77.04 O +ATOM 121 CB PRO A 20 -1.147 8.809 4.857 1.00 75.80 C +ATOM 122 CG PRO A 20 -0.211 8.527 3.738 1.00 73.20 C +ATOM 123 CD PRO A 20 -0.434 7.083 3.382 1.00 73.73 C +HETATM 124 N HYP A 21 -4.246 9.431 4.430 1.00 83.18 N +HETATM 125 CA HYP A 21 -5.168 10.297 3.769 1.00 82.95 C +HETATM 126 C HYP A 21 -4.492 11.400 3.003 1.00 84.19 C +HETATM 127 O HYP A 21 -3.439 11.877 3.419 1.00 87.59 O +HETATM 128 CB HYP A 21 -5.967 10.913 4.951 1.00 81.56 C +HETATM 129 CG HYP A 21 -5.827 9.941 6.088 1.00 75.05 C +HETATM 130 CD HYP A 21 -4.433 9.394 5.895 1.00 84.01 C +HETATM 131 OD1 HYP A 21 -6.763 8.884 5.924 1.00 79.57 O +ATOM 132 N GLY A 22 -4.996 11.717 1.876 1.00 83.34 N +ATOM 133 CA GLY A 22 -4.515 12.868 1.173 1.00 80.56 C +ATOM 134 C GLY A 22 -4.950 14.132 1.884 1.00 80.94 C +ATOM 135 O GLY A 22 -5.737 14.090 2.827 1.00 80.61 O +ATOM 136 N PRO A 23 -4.452 15.281 1.454 1.00 85.64 N +ATOM 137 CA PRO A 23 -4.882 16.527 2.069 1.00 86.36 C +ATOM 138 C PRO A 23 -6.306 16.848 1.638 1.00 85.14 C +ATOM 139 O PRO A 23 -6.575 17.019 0.455 1.00 82.11 O +ATOM 140 CB PRO A 23 -3.883 17.563 1.554 1.00 82.78 C +ATOM 141 CG PRO A 23 -3.132 16.914 0.461 1.00 79.89 C +ATOM 142 CD PRO A 23 -3.482 15.457 0.394 1.00 82.31 C +HETATM 143 N HYP A 24 -7.253 16.769 2.477 1.00 92.56 N +HETATM 144 CA HYP A 24 -8.707 16.552 2.119 1.00 87.93 C +HETATM 145 C HYP A 24 -9.101 15.500 1.363 1.00 92.26 C +HETATM 146 O HYP A 24 -10.213 14.844 1.528 1.00 91.33 O +HETATM 147 CB HYP A 24 -9.447 17.218 3.145 1.00 86.25 C +HETATM 148 CG HYP A 24 -8.509 17.948 3.962 1.00 85.16 C +HETATM 149 CD HYP A 24 -7.080 17.593 3.543 1.00 89.92 C +HETATM 150 OD1 HYP A 24 -8.794 18.681 4.995 1.00 87.33 O +HETATM 151 OXT HYP A 24 -9.150 15.694 0.074 1.00 87.43 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_34.txt b/protein_pdb_34.txt new file mode 100644 index 0000000000000000000000000000000000000000..66048ab1d40be27c639c7d6b2a6a3fc178d9a636 --- /dev/null +++ b/protein_pdb_34.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 30.254 -17.744 5.496 1.00 84.94 N +ATOM 2 CA GLY A 1 29.306 -18.113 4.448 1.00 88.90 C +ATOM 3 C GLY A 1 28.840 -16.908 3.665 1.00 89.90 C +ATOM 4 O GLY A 1 29.158 -15.767 4.027 1.00 86.32 O +ATOM 5 N PRO A 2 28.083 -17.105 2.605 1.00 88.71 N +ATOM 6 CA PRO A 2 27.589 -15.985 1.801 1.00 91.77 C +ATOM 7 C PRO A 2 26.539 -15.187 2.564 1.00 91.71 C +ATOM 8 O PRO A 2 25.913 -15.682 3.492 1.00 89.72 O +ATOM 9 CB PRO A 2 26.993 -16.662 0.567 1.00 88.84 C +ATOM 10 CG PRO A 2 26.573 -17.997 1.077 1.00 85.57 C +ATOM 11 CD PRO A 2 27.653 -18.391 2.057 1.00 86.94 C +HETATM 12 N HYP A 3 26.429 -13.982 2.196 1.00 94.37 N +HETATM 13 CA HYP A 3 25.367 -13.104 2.753 1.00 92.15 C +HETATM 14 C HYP A 3 24.010 -13.719 2.587 1.00 94.07 C +HETATM 15 O HYP A 3 23.738 -14.407 1.573 1.00 93.49 O +HETATM 16 CB HYP A 3 25.524 -11.815 1.943 1.00 91.90 C +HETATM 17 CG HYP A 3 26.928 -11.805 1.449 1.00 89.87 C +HETATM 18 CD HYP A 3 27.193 -13.292 1.154 1.00 92.78 C +HETATM 19 OD1 HYP A 3 27.817 -11.370 2.424 1.00 90.93 O +ATOM 20 N GLY A 4 23.131 -13.490 3.571 1.00 95.24 N +ATOM 21 CA GLY A 4 21.779 -13.989 3.495 1.00 94.85 C +ATOM 22 C GLY A 4 20.985 -13.252 2.427 1.00 95.02 C +ATOM 23 O GLY A 4 21.438 -12.236 1.894 1.00 94.17 O +ATOM 24 N PRO A 5 19.798 -13.758 2.110 1.00 94.81 N +ATOM 25 CA PRO A 5 18.970 -13.115 1.090 1.00 94.87 C +ATOM 26 C PRO A 5 18.404 -11.795 1.591 1.00 95.00 C +ATOM 27 O PRO A 5 18.309 -11.560 2.792 1.00 93.98 O +ATOM 28 CB PRO A 5 17.877 -14.142 0.829 1.00 92.95 C +ATOM 29 CG PRO A 5 17.753 -14.845 2.139 1.00 91.19 C +ATOM 30 CD PRO A 5 19.173 -14.950 2.643 1.00 93.11 C +HETATM 31 N HYP A 6 18.061 -10.940 0.659 1.00 95.37 N +HETATM 32 CA HYP A 6 17.360 -9.679 1.023 1.00 95.25 C +HETATM 33 C HYP A 6 16.116 -9.932 1.785 1.00 95.39 C +HETATM 34 O HYP A 6 15.455 -10.967 1.563 1.00 93.83 O +HETATM 35 CB HYP A 6 17.126 -9.045 -0.369 1.00 93.83 C +HETATM 36 CG HYP A 6 18.202 -9.597 -1.258 1.00 92.21 C +HETATM 37 CD HYP A 6 18.339 -11.040 -0.748 1.00 93.85 C +HETATM 38 OD1 HYP A 6 19.403 -8.906 -1.102 1.00 90.70 O +ATOM 39 N GLY A 7 15.748 -9.032 2.713 1.00 95.81 N +ATOM 40 CA GLY A 7 14.548 -9.166 3.495 1.00 95.36 C +ATOM 41 C GLY A 7 13.310 -9.043 2.624 1.00 95.70 C +ATOM 42 O GLY A 7 13.391 -8.649 1.461 1.00 95.16 O +ATOM 43 N PRO A 8 12.154 -9.367 3.197 1.00 93.70 N +ATOM 44 CA PRO A 8 10.911 -9.277 2.438 1.00 93.86 C +ATOM 45 C PRO A 8 10.506 -7.828 2.205 1.00 94.11 C +ATOM 46 O PRO A 8 10.937 -6.931 2.921 1.00 93.08 O +ATOM 47 CB PRO A 8 9.908 -10.008 3.320 1.00 92.20 C +ATOM 48 CG PRO A 8 10.439 -9.778 4.696 1.00 90.89 C +ATOM 49 CD PRO A 8 11.943 -9.868 4.540 1.00 92.01 C +HETATM 50 N HYP A 9 9.698 -7.589 1.225 1.00 94.68 N +HETATM 51 CA HYP A 9 9.121 -6.280 0.962 1.00 94.19 C +HETATM 52 C HYP A 9 8.326 -5.789 2.140 1.00 96.09 C +HETATM 53 O HYP A 9 7.720 -6.601 2.844 1.00 93.59 O +HETATM 54 CB HYP A 9 8.187 -6.548 -0.273 1.00 93.49 C +HETATM 55 CG HYP A 9 8.827 -7.708 -0.962 1.00 91.93 C +HETATM 56 CD HYP A 9 9.342 -8.535 0.207 1.00 94.02 C +HETATM 57 OD1 HYP A 9 9.918 -7.293 -1.767 1.00 86.83 O +ATOM 58 N GLY A 10 8.340 -4.503 2.377 1.00 95.90 N +ATOM 59 CA GLY A 10 7.612 -3.917 3.478 1.00 95.15 C +ATOM 60 C GLY A 10 6.114 -4.096 3.299 1.00 95.34 C +ATOM 61 O GLY A 10 5.647 -4.522 2.239 1.00 94.84 O +ATOM 62 N PRO A 11 5.340 -3.745 4.338 1.00 94.14 N +ATOM 63 CA PRO A 11 3.892 -3.887 4.238 1.00 93.53 C +ATOM 64 C PRO A 11 3.283 -2.913 3.236 1.00 93.27 C +ATOM 65 O PRO A 11 3.833 -1.846 2.964 1.00 91.26 O +ATOM 66 CB PRO A 11 3.408 -3.607 5.663 1.00 91.74 C +ATOM 67 CG PRO A 11 4.447 -2.682 6.198 1.00 91.34 C +ATOM 68 CD PRO A 11 5.752 -3.214 5.632 1.00 92.87 C +ATOM 69 N MET A 12 2.140 -3.303 2.689 1.00 91.97 N +ATOM 70 CA MET A 12 1.422 -2.446 1.759 1.00 91.30 C +ATOM 71 C MET A 12 0.977 -1.180 2.493 1.00 91.85 C +ATOM 72 O MET A 12 0.668 -1.233 3.687 1.00 87.39 O +ATOM 73 CB MET A 12 0.214 -3.195 1.186 1.00 86.85 C +ATOM 74 CG MET A 12 -0.519 -2.452 0.082 1.00 81.12 C +ATOM 75 SD MET A 12 -1.814 -3.462 -0.653 1.00 77.01 S +ATOM 76 CE MET A 12 -0.842 -4.696 -1.481 1.00 71.17 C +ATOM 77 N GLY A 13 0.974 -0.075 1.777 1.00 94.86 N +ATOM 78 CA GLY A 13 0.573 1.190 2.364 1.00 94.17 C +ATOM 79 C GLY A 13 -0.891 1.212 2.754 1.00 94.91 C +ATOM 80 O GLY A 13 -1.649 0.302 2.426 1.00 94.62 O +ATOM 81 N PRO A 14 -1.315 2.266 3.469 1.00 94.13 N +ATOM 82 CA PRO A 14 -2.706 2.367 3.897 1.00 94.17 C +ATOM 83 C PRO A 14 -3.632 2.619 2.718 1.00 94.32 C +ATOM 84 O PRO A 14 -3.204 3.076 1.665 1.00 93.37 O +ATOM 85 CB PRO A 14 -2.691 3.551 4.865 1.00 92.65 C +ATOM 86 CG PRO A 14 -1.573 4.398 4.358 1.00 91.57 C +ATOM 87 CD PRO A 14 -0.517 3.400 3.932 1.00 92.71 C +HETATM 88 N HYP A 15 -4.915 2.354 2.896 1.00 94.88 N +HETATM 89 CA HYP A 15 -5.908 2.624 1.882 1.00 93.25 C +HETATM 90 C HYP A 15 -5.974 4.092 1.504 1.00 94.65 C +HETATM 91 O HYP A 15 -5.663 4.968 2.352 1.00 91.99 O +HETATM 92 CB HYP A 15 -7.203 2.194 2.602 1.00 91.40 C +HETATM 93 CG HYP A 15 -6.734 1.142 3.589 1.00 88.83 C +HETATM 94 CD HYP A 15 -5.424 1.702 4.059 1.00 92.86 C +HETATM 95 OD1 HYP A 15 -6.526 -0.100 2.975 1.00 92.15 O +ATOM 96 N GLY A 16 -6.288 4.377 0.302 1.00 96.24 N +ATOM 97 CA GLY A 16 -6.405 5.741 -0.134 1.00 95.49 C +ATOM 98 C GLY A 16 -7.582 6.428 0.547 1.00 95.93 C +ATOM 99 O GLY A 16 -8.360 5.789 1.265 1.00 95.62 O +ATOM 100 N PRO A 17 -7.731 7.738 0.318 1.00 93.62 N +ATOM 101 CA PRO A 17 -8.827 8.477 0.935 1.00 93.46 C +ATOM 102 C PRO A 17 -10.170 8.079 0.357 1.00 93.62 C +ATOM 103 O PRO A 17 -10.256 7.557 -0.746 1.00 92.63 O +ATOM 104 CB PRO A 17 -8.481 9.936 0.623 1.00 91.62 C +ATOM 105 CG PRO A 17 -7.721 9.840 -0.653 1.00 89.74 C +ATOM 106 CD PRO A 17 -6.882 8.592 -0.505 1.00 91.32 C +HETATM 107 N HYP A 18 -11.241 8.360 1.086 1.00 94.45 N +HETATM 108 CA HYP A 18 -12.586 8.075 0.622 1.00 94.07 C +HETATM 109 C HYP A 18 -12.925 8.856 -0.651 1.00 94.85 C +HETATM 110 O HYP A 18 -12.473 10.012 -0.836 1.00 93.32 O +HETATM 111 CB HYP A 18 -13.446 8.555 1.778 1.00 93.11 C +HETATM 112 CG HYP A 18 -12.575 8.455 2.990 1.00 93.07 C +HETATM 113 CD HYP A 18 -11.210 8.827 2.450 1.00 93.22 C +HETATM 114 OD1 HYP A 18 -12.523 7.141 3.486 1.00 92.45 O +ATOM 115 N GLY A 19 -13.668 8.229 -1.524 1.00 93.52 N +ATOM 116 CA GLY A 19 -14.062 8.865 -2.753 1.00 93.16 C +ATOM 117 C GLY A 19 -15.019 10.013 -2.471 1.00 93.72 C +ATOM 118 O GLY A 19 -15.473 10.207 -1.339 1.00 93.31 O +ATOM 119 N PRO A 20 -15.361 10.789 -3.509 1.00 91.31 N +ATOM 120 CA PRO A 20 -16.271 11.915 -3.329 1.00 91.28 C +ATOM 121 C PRO A 20 -17.697 11.444 -3.071 1.00 91.21 C +ATOM 122 O PRO A 20 -18.049 10.307 -3.374 1.00 90.26 O +ATOM 123 CB PRO A 20 -16.151 12.673 -4.655 1.00 88.34 C +ATOM 124 CG PRO A 20 -15.789 11.610 -5.625 1.00 85.49 C +ATOM 125 CD PRO A 20 -14.870 10.681 -4.875 1.00 88.04 C +HETATM 126 N HYP A 21 -18.557 12.322 -2.509 1.00 94.66 N +HETATM 127 CA HYP A 21 -19.927 11.986 -2.270 1.00 92.59 C +HETATM 128 C HYP A 21 -20.695 11.653 -3.539 1.00 95.49 C +HETATM 129 O HYP A 21 -20.385 12.233 -4.616 1.00 92.49 O +HETATM 130 CB HYP A 21 -20.531 13.290 -1.674 1.00 93.34 C +HETATM 131 CG HYP A 21 -19.344 13.999 -1.051 1.00 92.22 C +HETATM 132 CD HYP A 21 -18.197 13.645 -1.993 1.00 93.12 C +HETATM 133 OD1 HYP A 21 -19.059 13.477 0.242 1.00 90.96 O +ATOM 134 N GLY A 22 -21.589 10.685 -3.489 1.00 89.64 N +ATOM 135 CA GLY A 22 -22.369 10.298 -4.631 1.00 89.18 C +ATOM 136 C GLY A 22 -23.301 11.425 -5.046 1.00 89.50 C +ATOM 137 O GLY A 22 -23.473 12.408 -4.322 1.00 88.54 O +ATOM 138 N PRO A 23 -23.968 11.289 -6.209 1.00 90.33 N +ATOM 139 CA PRO A 23 -24.875 12.328 -6.685 1.00 90.78 C +ATOM 140 C PRO A 23 -26.142 12.362 -5.851 1.00 90.34 C +ATOM 141 O PRO A 23 -26.521 11.377 -5.223 1.00 87.12 O +ATOM 142 CB PRO A 23 -25.148 11.924 -8.133 1.00 87.04 C +ATOM 143 CG PRO A 23 -25.007 10.443 -8.098 1.00 83.47 C +ATOM 144 CD PRO A 23 -23.860 10.184 -7.157 1.00 85.89 C +HETATM 145 N HYP A 24 -26.880 13.479 -5.856 1.00 91.59 N +HETATM 146 CA HYP A 24 -28.111 13.517 -5.120 1.00 88.61 C +HETATM 147 C HYP A 24 -29.155 12.613 -5.758 1.00 90.76 C +HETATM 148 O HYP A 24 -29.071 12.418 -6.983 1.00 90.75 O +HETATM 149 CB HYP A 24 -28.637 15.006 -5.296 1.00 91.14 C +HETATM 150 CG HYP A 24 -27.459 15.817 -5.727 1.00 90.32 C +HETATM 151 CD HYP A 24 -26.538 14.788 -6.454 1.00 90.05 C +HETATM 152 OD1 HYP A 24 -26.767 16.274 -4.561 1.00 85.95 O +HETATM 153 OXT HYP A 24 -30.040 12.163 -5.027 1.00 83.97 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_340.txt b/protein_pdb_340.txt new file mode 100644 index 0000000000000000000000000000000000000000..aaecddd942bf8fb6aae3a0195ae85c994a3cbaa3 --- /dev/null +++ b/protein_pdb_340.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 3.918 -15.691 -3.707 1.00 90.64 N +ATOM 2 CA GLY A 1 3.607 -14.754 -4.731 1.00 91.03 C +ATOM 3 C GLY A 1 4.347 -13.434 -4.608 1.00 91.83 C +ATOM 4 O GLY A 1 5.025 -13.188 -3.616 1.00 90.14 O +ATOM 5 N PRO A 2 4.204 -12.610 -5.586 1.00 89.54 N +ATOM 6 CA PRO A 2 4.873 -11.321 -5.595 1.00 90.28 C +ATOM 7 C PRO A 2 4.188 -10.312 -4.688 1.00 90.03 C +ATOM 8 O PRO A 2 3.076 -10.536 -4.219 1.00 87.33 O +ATOM 9 CB PRO A 2 4.780 -10.915 -7.057 1.00 87.01 C +ATOM 10 CG PRO A 2 3.493 -11.517 -7.498 1.00 83.88 C +ATOM 11 CD PRO A 2 3.439 -12.848 -6.801 1.00 86.23 C +HETATM 12 N HYP A 3 4.874 -9.209 -4.464 1.00 90.77 N +HETATM 13 CA HYP A 3 4.276 -8.154 -3.656 1.00 89.36 C +HETATM 14 C HYP A 3 3.010 -7.608 -4.284 1.00 90.78 C +HETATM 15 O HYP A 3 2.878 -7.645 -5.522 1.00 92.12 O +HETATM 16 CB HYP A 3 5.389 -7.039 -3.690 1.00 89.09 C +HETATM 17 CG HYP A 3 6.673 -7.818 -3.907 1.00 86.60 C +HETATM 18 CD HYP A 3 6.219 -8.948 -4.868 1.00 89.55 C +HETATM 19 OD1 HYP A 3 7.063 -8.374 -2.693 1.00 87.87 O +ATOM 20 N GLY A 4 2.098 -7.217 -3.462 1.00 92.50 N +ATOM 21 CA GLY A 4 0.856 -6.665 -3.926 1.00 92.25 C +ATOM 22 C GLY A 4 1.078 -5.291 -4.536 1.00 93.01 C +ATOM 23 O GLY A 4 2.168 -4.733 -4.472 1.00 93.04 O +ATOM 24 N PRO A 5 0.035 -4.737 -5.134 1.00 91.04 N +ATOM 25 CA PRO A 5 0.150 -3.424 -5.755 1.00 91.06 C +ATOM 26 C PRO A 5 0.283 -2.318 -4.714 1.00 90.84 C +ATOM 27 O PRO A 5 -0.057 -2.502 -3.550 1.00 89.16 O +ATOM 28 CB PRO A 5 -1.151 -3.295 -6.540 1.00 89.23 C +ATOM 29 CG PRO A 5 -2.110 -4.118 -5.757 1.00 87.64 C +ATOM 30 CD PRO A 5 -1.304 -5.291 -5.279 1.00 89.98 C +HETATM 31 N HYP A 6 0.817 -1.172 -5.158 1.00 90.98 N +HETATM 32 CA HYP A 6 0.874 -0.017 -4.281 1.00 92.18 C +HETATM 33 C HYP A 6 -0.497 0.390 -3.792 1.00 91.77 C +HETATM 34 O HYP A 6 -1.518 0.171 -4.488 1.00 92.18 O +HETATM 35 CB HYP A 6 1.444 1.066 -5.252 1.00 86.87 C +HETATM 36 CG HYP A 6 2.250 0.273 -6.248 1.00 86.08 C +HETATM 37 CD HYP A 6 1.396 -0.969 -6.457 1.00 89.77 C +HETATM 38 OD1 HYP A 6 3.474 -0.085 -5.652 1.00 87.62 O +ATOM 39 N GLY A 7 -0.543 0.883 -2.596 1.00 91.82 N +ATOM 40 CA GLY A 7 -1.773 1.339 -2.018 1.00 91.15 C +ATOM 41 C GLY A 7 -2.312 2.534 -2.775 1.00 92.20 C +ATOM 42 O GLY A 7 -1.636 3.115 -3.623 1.00 92.06 O +ATOM 43 N PRO A 8 -3.536 2.913 -2.470 1.00 89.44 N +ATOM 44 CA PRO A 8 -4.138 4.049 -3.153 1.00 89.65 C +ATOM 45 C PRO A 8 -3.524 5.363 -2.704 1.00 89.72 C +ATOM 46 O PRO A 8 -2.957 5.466 -1.623 1.00 87.88 O +ATOM 47 CB PRO A 8 -5.608 3.950 -2.761 1.00 87.10 C +ATOM 48 CG PRO A 8 -5.565 3.313 -1.427 1.00 85.54 C +ATOM 49 CD PRO A 8 -4.441 2.304 -1.512 1.00 87.62 C +HETATM 50 N HYP A 9 -3.652 6.388 -3.563 1.00 89.77 N +HETATM 51 CA HYP A 9 -3.185 7.689 -3.203 1.00 89.17 C +HETATM 52 C HYP A 9 -3.952 8.262 -2.046 1.00 90.78 C +HETATM 53 O HYP A 9 -5.131 7.948 -1.841 1.00 90.51 O +HETATM 54 CB HYP A 9 -3.523 8.536 -4.483 1.00 84.48 C +HETATM 55 CG HYP A 9 -3.648 7.562 -5.580 1.00 84.17 C +HETATM 56 CD HYP A 9 -4.184 6.322 -4.941 1.00 89.08 C +HETATM 57 OD1 HYP A 9 -2.348 7.286 -6.072 1.00 83.79 O +ATOM 58 N GLY A 10 -3.358 9.068 -1.255 1.00 89.51 N +ATOM 59 CA GLY A 10 -4.057 9.812 -0.248 1.00 87.95 C +ATOM 60 C GLY A 10 -4.824 10.937 -0.915 1.00 88.14 C +ATOM 61 O GLY A 10 -4.866 11.039 -2.145 1.00 85.60 O +ATOM 62 N ILE A 11 -5.425 11.801 -0.122 1.00 88.93 N +ATOM 63 CA ILE A 11 -6.157 12.927 -0.692 1.00 89.81 C +ATOM 64 C ILE A 11 -5.241 13.726 -1.615 1.00 89.21 C +ATOM 65 O ILE A 11 -5.635 14.103 -2.720 1.00 86.95 O +ATOM 66 CB ILE A 11 -6.741 13.817 0.418 1.00 89.55 C +ATOM 67 CG1 ILE A 11 -7.776 13.015 1.209 1.00 86.79 C +ATOM 68 CG2 ILE A 11 -7.365 15.073 -0.171 1.00 83.93 C +ATOM 69 CD1 ILE A 11 -8.287 13.733 2.435 1.00 78.98 C +ATOM 70 N CYS A 12 -4.022 13.958 -1.164 1.00 86.46 N +ATOM 71 CA CYS A 12 -2.994 14.650 -1.939 1.00 89.17 C +ATOM 72 C CYS A 12 -1.665 13.948 -1.706 1.00 89.82 C +ATOM 73 O CYS A 12 -0.643 14.585 -1.480 1.00 85.91 O +ATOM 74 CB CYS A 12 -2.881 16.118 -1.516 1.00 85.67 C +ATOM 75 SG CYS A 12 -4.315 17.117 -1.939 1.00 78.49 S +ATOM 76 N GLY A 13 -1.693 12.637 -1.743 1.00 93.27 N +ATOM 77 CA GLY A 13 -0.519 11.868 -1.397 1.00 93.14 C +ATOM 78 C GLY A 13 -0.167 10.783 -2.381 1.00 93.91 C +ATOM 79 O GLY A 13 -0.953 10.437 -3.262 1.00 94.12 O +ATOM 80 N PRO A 14 1.026 10.244 -2.227 1.00 93.51 N +ATOM 81 CA PRO A 14 1.501 9.187 -3.109 1.00 93.38 C +ATOM 82 C PRO A 14 0.842 7.862 -2.797 1.00 93.51 C +ATOM 83 O PRO A 14 0.210 7.693 -1.754 1.00 92.23 O +ATOM 84 CB PRO A 14 3.000 9.145 -2.818 1.00 91.95 C +ATOM 85 CG PRO A 14 3.074 9.515 -1.377 1.00 90.35 C +ATOM 86 CD PRO A 14 2.029 10.589 -1.215 1.00 91.55 C +HETATM 87 N HYP A 15 1.015 6.966 -3.707 1.00 92.66 N +HETATM 88 CA HYP A 15 0.542 5.616 -3.458 1.00 93.78 C +HETATM 89 C HYP A 15 1.204 5.006 -2.266 1.00 93.58 C +HETATM 90 O HYP A 15 2.339 5.363 -1.913 1.00 92.96 O +HETATM 91 CB HYP A 15 1.038 4.913 -4.770 1.00 90.72 C +HETATM 92 CG HYP A 15 1.108 6.015 -5.814 1.00 88.77 C +HETATM 93 CD HYP A 15 1.596 7.196 -5.026 1.00 91.45 C +HETATM 94 OD1 HYP A 15 -0.179 6.270 -6.317 1.00 89.40 O +ATOM 95 N GLY A 16 0.508 4.145 -1.625 1.00 94.21 N +ATOM 96 CA GLY A 16 1.073 3.438 -0.515 1.00 93.95 C +ATOM 97 C GLY A 16 2.106 2.441 -0.992 1.00 94.43 C +ATOM 98 O GLY A 16 2.290 2.247 -2.197 1.00 94.25 O +ATOM 99 N PRO A 17 2.786 1.802 -0.047 1.00 91.50 N +ATOM 100 CA PRO A 17 3.802 0.829 -0.418 1.00 91.38 C +ATOM 101 C PRO A 17 3.181 -0.432 -0.999 1.00 91.72 C +ATOM 102 O PRO A 17 1.990 -0.686 -0.829 1.00 89.98 O +ATOM 103 CB PRO A 17 4.518 0.552 0.904 1.00 89.85 C +ATOM 104 CG PRO A 17 3.472 0.813 1.926 1.00 88.34 C +ATOM 105 CD PRO A 17 2.676 1.969 1.393 1.00 89.73 C +HETATM 106 N HYP A 18 4.012 -1.197 -1.704 1.00 88.29 N +HETATM 107 CA HYP A 18 3.540 -2.459 -2.196 1.00 88.28 C +HETATM 108 C HYP A 18 3.069 -3.368 -1.104 1.00 90.25 C +HETATM 109 O HYP A 18 3.569 -3.294 0.035 1.00 90.32 O +HETATM 110 CB HYP A 18 4.839 -3.043 -2.844 1.00 87.10 C +HETATM 111 CG HYP A 18 5.621 -1.823 -3.266 1.00 84.37 C +HETATM 112 CD HYP A 18 5.359 -0.864 -2.119 1.00 89.10 C +HETATM 113 OD1 HYP A 18 5.067 -1.302 -4.455 1.00 86.96 O +ATOM 114 N GLY A 19 2.089 -4.151 -1.396 1.00 88.90 N +ATOM 115 CA GLY A 19 1.576 -5.088 -0.445 1.00 88.79 C +ATOM 116 C GLY A 19 2.598 -6.169 -0.150 1.00 89.41 C +ATOM 117 O GLY A 19 3.637 -6.250 -0.797 1.00 90.24 O +ATOM 118 N PRO A 20 2.298 -7.003 0.829 1.00 85.11 N +ATOM 119 CA PRO A 20 3.214 -8.070 1.185 1.00 85.55 C +ATOM 120 C PRO A 20 3.240 -9.155 0.124 1.00 85.01 C +ATOM 121 O PRO A 20 2.339 -9.246 -0.708 1.00 84.77 O +ATOM 122 CB PRO A 20 2.647 -8.587 2.502 1.00 83.41 C +ATOM 123 CG PRO A 20 1.184 -8.322 2.372 1.00 80.95 C +ATOM 124 CD PRO A 20 1.102 -7.001 1.657 1.00 83.14 C +HETATM 125 N HYP A 21 4.310 -9.945 0.162 1.00 89.16 N +HETATM 126 CA HYP A 21 4.365 -11.072 -0.740 1.00 88.98 C +HETATM 127 C HYP A 21 3.186 -12.007 -0.597 1.00 88.56 C +HETATM 128 O HYP A 21 2.677 -12.167 0.501 1.00 91.18 O +HETATM 129 CB HYP A 21 5.669 -11.778 -0.379 1.00 86.59 C +HETATM 130 CG HYP A 21 6.531 -10.704 0.229 1.00 82.61 C +HETATM 131 CD HYP A 21 5.535 -9.833 0.975 1.00 89.04 C +HETATM 132 OD1 HYP A 21 7.131 -9.928 -0.815 1.00 84.18 O +ATOM 133 N GLY A 22 2.717 -12.503 -1.697 1.00 89.71 N +ATOM 134 CA GLY A 22 1.629 -13.431 -1.677 1.00 87.86 C +ATOM 135 C GLY A 22 2.079 -14.745 -1.064 1.00 87.94 C +ATOM 136 O GLY A 22 3.259 -14.941 -0.798 1.00 87.50 O +ATOM 137 N PRO A 23 1.146 -15.670 -0.850 1.00 90.61 N +ATOM 138 CA PRO A 23 1.503 -16.964 -0.285 1.00 90.26 C +ATOM 139 C PRO A 23 2.262 -17.783 -1.310 1.00 89.13 C +ATOM 140 O PRO A 23 1.682 -18.250 -2.294 1.00 85.57 O +ATOM 141 CB PRO A 23 0.158 -17.568 0.079 1.00 86.71 C +ATOM 142 CG PRO A 23 -0.792 -16.934 -0.868 1.00 83.71 C +ATOM 143 CD PRO A 23 -0.276 -15.535 -1.080 1.00 87.07 C +HETATM 144 N HYP A 24 3.493 -17.813 -1.295 1.00 93.27 N +HETATM 145 CA HYP A 24 4.495 -18.080 -2.439 1.00 89.82 C +HETATM 146 C HYP A 24 4.621 -17.207 -3.474 1.00 92.39 C +HETATM 147 O HYP A 24 4.500 -17.632 -4.733 1.00 92.53 O +HETATM 148 CB HYP A 24 5.574 -18.816 -1.727 1.00 88.56 C +HETATM 149 CG HYP A 24 4.850 -19.552 -0.588 1.00 87.28 C +HETATM 150 CD HYP A 24 3.629 -18.665 -0.238 1.00 90.97 C +HETATM 151 OD1 HYP A 24 5.672 -19.702 0.538 1.00 88.44 O +HETATM 152 OXT HYP A 24 5.771 -16.429 -3.532 1.00 86.23 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_341.txt b/protein_pdb_341.txt new file mode 100644 index 0000000000000000000000000000000000000000..a83dc68523f9c46b2d1396c780dcec0879f73d15 --- /dev/null +++ b/protein_pdb_341.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 15.801 -1.379 -2.633 1.00 90.00 N +ATOM 2 CA GLY A 1 14.845 -0.862 -3.550 1.00 91.03 C +ATOM 3 C GLY A 1 13.705 -0.122 -2.893 1.00 91.52 C +ATOM 4 O GLY A 1 13.537 -0.168 -1.678 1.00 89.76 O +ATOM 5 N PRO A 2 12.925 0.527 -3.670 1.00 90.62 N +ATOM 6 CA PRO A 2 11.798 1.286 -3.164 1.00 91.68 C +ATOM 7 C PRO A 2 10.637 0.382 -2.799 1.00 91.34 C +ATOM 8 O PRO A 2 10.633 -0.803 -3.116 1.00 89.34 O +ATOM 9 CB PRO A 2 11.452 2.189 -4.334 1.00 88.64 C +ATOM 10 CG PRO A 2 11.814 1.361 -5.517 1.00 84.65 C +ATOM 11 CD PRO A 2 13.067 0.637 -5.113 1.00 87.51 C +HETATM 12 N HYP A 3 9.678 0.972 -2.141 1.00 90.46 N +HETATM 13 CA HYP A 3 8.485 0.211 -1.811 1.00 88.15 C +HETATM 14 C HYP A 3 7.774 -0.273 -3.041 1.00 92.28 C +HETATM 15 O HYP A 3 7.858 0.394 -4.098 1.00 92.25 O +HETATM 16 CB HYP A 3 7.627 1.252 -1.044 1.00 87.26 C +HETATM 17 CG HYP A 3 8.669 2.186 -0.442 1.00 85.59 C +HETATM 18 CD HYP A 3 9.732 2.274 -1.570 1.00 87.74 C +HETATM 19 OD1 HYP A 3 9.225 1.579 0.679 1.00 89.08 O +ATOM 20 N GLY A 4 7.176 -1.417 -2.944 1.00 94.22 N +ATOM 21 CA GLY A 4 6.436 -1.956 -4.047 1.00 93.99 C +ATOM 22 C GLY A 4 5.192 -1.133 -4.312 1.00 94.61 C +ATOM 23 O GLY A 4 4.857 -0.220 -3.554 1.00 94.52 O +ATOM 24 N PRO A 5 4.475 -1.444 -5.385 1.00 92.52 N +ATOM 25 CA PRO A 5 3.267 -0.705 -5.711 1.00 92.48 C +ATOM 26 C PRO A 5 2.144 -1.011 -4.738 1.00 91.93 C +ATOM 27 O PRO A 5 2.179 -2.010 -4.026 1.00 90.76 O +ATOM 28 CB PRO A 5 2.930 -1.189 -7.113 1.00 91.08 C +ATOM 29 CG PRO A 5 3.479 -2.578 -7.146 1.00 89.19 C +ATOM 30 CD PRO A 5 4.741 -2.510 -6.345 1.00 91.63 C +HETATM 31 N HYP A 6 1.165 -0.100 -4.697 1.00 90.48 N +HETATM 32 CA HYP A 6 -0.012 -0.369 -3.909 1.00 92.75 C +HETATM 33 C HYP A 6 -0.689 -1.636 -4.290 1.00 90.48 C +HETATM 34 O HYP A 6 -0.616 -2.065 -5.470 1.00 92.95 O +HETATM 35 CB HYP A 6 -0.884 0.853 -4.176 1.00 88.12 C +HETATM 36 CG HYP A 6 0.114 1.942 -4.517 1.00 87.11 C +HETATM 37 CD HYP A 6 1.140 1.188 -5.311 1.00 90.16 C +HETATM 38 OD1 HYP A 6 0.674 2.462 -3.346 1.00 88.88 O +ATOM 39 N GLY A 7 -1.261 -2.297 -3.348 1.00 93.71 N +ATOM 40 CA GLY A 7 -1.970 -3.516 -3.599 1.00 93.56 C +ATOM 41 C GLY A 7 -3.201 -3.252 -4.444 1.00 93.73 C +ATOM 42 O GLY A 7 -3.575 -2.110 -4.692 1.00 93.46 O +ATOM 43 N PRO A 8 -3.847 -4.309 -4.881 1.00 92.21 N +ATOM 44 CA PRO A 8 -5.055 -4.157 -5.689 1.00 91.95 C +ATOM 45 C PRO A 8 -6.167 -3.490 -4.906 1.00 91.61 C +ATOM 46 O PRO A 8 -6.213 -3.560 -3.682 1.00 90.30 O +ATOM 47 CB PRO A 8 -5.442 -5.595 -6.041 1.00 90.55 C +ATOM 48 CG PRO A 8 -4.219 -6.392 -5.806 1.00 89.53 C +ATOM 49 CD PRO A 8 -3.497 -5.710 -4.684 1.00 91.69 C +HETATM 50 N HYP A 9 -7.081 -2.823 -5.617 1.00 90.15 N +HETATM 51 CA HYP A 9 -8.211 -2.274 -4.997 1.00 90.07 C +HETATM 52 C HYP A 9 -9.076 -3.324 -4.361 1.00 90.47 C +HETATM 53 O HYP A 9 -9.184 -4.434 -4.859 1.00 92.52 O +HETATM 54 CB HYP A 9 -8.976 -1.623 -6.170 1.00 86.14 C +HETATM 55 CG HYP A 9 -7.947 -1.331 -7.161 1.00 87.46 C +HETATM 56 CD HYP A 9 -6.979 -2.445 -7.035 1.00 90.18 C +HETATM 57 OD1 HYP A 9 -7.305 -0.113 -6.827 1.00 87.93 O +ATOM 58 N GLY A 10 -9.649 -3.046 -3.245 1.00 93.07 N +ATOM 59 CA GLY A 10 -10.637 -3.921 -2.667 1.00 91.17 C +ATOM 60 C GLY A 10 -11.898 -3.867 -3.506 1.00 91.61 C +ATOM 61 O GLY A 10 -11.978 -3.132 -4.489 1.00 90.85 O +ATOM 62 N GLN A 11 -12.893 -4.626 -3.111 1.00 91.54 N +ATOM 63 CA GLN A 11 -14.150 -4.620 -3.853 1.00 92.04 C +ATOM 64 C GLN A 11 -14.683 -3.207 -4.005 1.00 92.08 C +ATOM 65 O GLN A 11 -15.136 -2.814 -5.080 1.00 89.11 O +ATOM 66 CB GLN A 11 -15.187 -5.486 -3.137 1.00 90.23 C +ATOM 67 CG GLN A 11 -14.868 -6.966 -3.207 1.00 85.72 C +ATOM 68 CD GLN A 11 -14.991 -7.512 -4.622 1.00 79.69 C +ATOM 69 OE1 GLN A 11 -15.844 -7.073 -5.397 1.00 75.15 O +ATOM 70 NE2 GLN A 11 -14.151 -8.467 -4.966 1.00 72.65 N +ATOM 71 N HIS A 12 -14.618 -2.449 -2.926 1.00 94.14 N +ATOM 72 CA HIS A 12 -15.020 -1.041 -2.948 1.00 95.23 C +ATOM 73 C HIS A 12 -14.072 -0.219 -2.093 1.00 95.04 C +ATOM 74 O HIS A 12 -14.396 0.888 -1.675 1.00 92.49 O +ATOM 75 CB HIS A 12 -16.452 -0.881 -2.433 1.00 94.70 C +ATOM 76 CG HIS A 12 -17.441 -1.707 -3.197 1.00 91.77 C +ATOM 77 ND1 HIS A 12 -17.966 -2.869 -2.711 1.00 86.95 N +ATOM 78 CD2 HIS A 12 -17.964 -1.532 -4.430 1.00 83.66 C +ATOM 79 CE1 HIS A 12 -18.783 -3.382 -3.628 1.00 85.23 C +ATOM 80 NE2 HIS A 12 -18.803 -2.593 -4.673 1.00 86.08 N +ATOM 81 N GLY A 13 -12.920 -0.767 -1.825 1.00 94.21 N +ATOM 82 CA GLY A 13 -11.990 -0.147 -0.916 1.00 93.52 C +ATOM 83 C GLY A 13 -10.771 0.420 -1.601 1.00 93.93 C +ATOM 84 O GLY A 13 -10.592 0.279 -2.813 1.00 93.31 O +ATOM 85 N PRO A 14 -9.942 1.074 -0.830 1.00 94.64 N +ATOM 86 CA PRO A 14 -8.734 1.685 -1.371 1.00 94.58 C +ATOM 87 C PRO A 14 -7.716 0.636 -1.755 1.00 94.70 C +ATOM 88 O PRO A 14 -7.820 -0.524 -1.383 1.00 93.95 O +ATOM 89 CB PRO A 14 -8.230 2.551 -0.221 1.00 93.31 C +ATOM 90 CG PRO A 14 -8.685 1.817 0.990 1.00 92.12 C +ATOM 91 CD PRO A 14 -10.035 1.261 0.620 1.00 93.24 C +HETATM 92 N HYP A 15 -6.762 1.082 -2.498 1.00 92.08 N +HETATM 93 CA HYP A 15 -5.654 0.213 -2.806 1.00 91.87 C +HETATM 94 C HYP A 15 -4.983 -0.272 -1.575 1.00 94.88 C +HETATM 95 O HYP A 15 -5.030 0.402 -0.532 1.00 93.49 O +HETATM 96 CB HYP A 15 -4.791 1.138 -3.671 1.00 89.82 C +HETATM 97 CG HYP A 15 -5.786 2.107 -4.305 1.00 87.56 C +HETATM 98 CD HYP A 15 -6.758 2.352 -3.184 1.00 91.68 C +HETATM 99 OD1 HYP A 15 -6.412 1.496 -5.395 1.00 89.10 O +ATOM 100 N GLY A 16 -4.379 -1.412 -1.655 1.00 94.71 N +ATOM 101 CA GLY A 16 -3.627 -1.923 -0.549 1.00 94.27 C +ATOM 102 C GLY A 16 -2.406 -1.070 -0.290 1.00 94.50 C +ATOM 103 O GLY A 16 -2.091 -0.162 -1.070 1.00 93.94 O +ATOM 104 N PRO A 17 -1.721 -1.347 0.795 1.00 93.31 N +ATOM 105 CA PRO A 17 -0.532 -0.574 1.115 1.00 92.98 C +ATOM 106 C PRO A 17 0.596 -0.875 0.153 1.00 93.21 C +ATOM 107 O PRO A 17 0.575 -1.877 -0.557 1.00 92.14 O +ATOM 108 CB PRO A 17 -0.195 -1.020 2.536 1.00 91.67 C +ATOM 109 CG PRO A 17 -0.730 -2.406 2.602 1.00 90.20 C +ATOM 110 CD PRO A 17 -1.989 -2.382 1.788 1.00 91.98 C +HETATM 111 N HYP A 18 1.587 0.037 0.109 1.00 88.37 N +HETATM 112 CA HYP A 18 2.721 -0.230 -0.665 1.00 89.15 C +HETATM 113 C HYP A 18 3.396 -1.495 -0.293 1.00 90.28 C +HETATM 114 O HYP A 18 3.357 -1.909 0.897 1.00 91.71 O +HETATM 115 CB HYP A 18 3.604 0.997 -0.421 1.00 86.30 C +HETATM 116 CG HYP A 18 2.616 2.092 -0.088 1.00 86.56 C +HETATM 117 CD HYP A 18 1.586 1.341 0.726 1.00 90.56 C +HETATM 118 OD1 HYP A 18 2.049 2.589 -1.274 1.00 87.98 O +ATOM 119 N GLY A 19 3.995 -2.138 -1.220 1.00 89.72 N +ATOM 120 CA GLY A 19 4.729 -3.338 -0.947 1.00 89.75 C +ATOM 121 C GLY A 19 5.960 -3.028 -0.116 1.00 89.92 C +ATOM 122 O GLY A 19 6.314 -1.872 0.097 1.00 90.90 O +ATOM 123 N PRO A 20 6.609 -4.062 0.360 1.00 86.30 N +ATOM 124 CA PRO A 20 7.809 -3.859 1.158 1.00 87.09 C +ATOM 125 C PRO A 20 8.947 -3.331 0.313 1.00 85.92 C +ATOM 126 O PRO A 20 8.942 -3.455 -0.907 1.00 86.47 O +ATOM 127 CB PRO A 20 8.103 -5.248 1.706 1.00 85.34 C +ATOM 128 CG PRO A 20 7.530 -6.157 0.679 1.00 82.50 C +ATOM 129 CD PRO A 20 6.293 -5.471 0.185 1.00 85.70 C +HETATM 130 N HYP A 21 9.904 -2.726 0.985 1.00 88.15 N +HETATM 131 CA HYP A 21 11.069 -2.281 0.294 1.00 87.38 C +HETATM 132 C HYP A 21 11.780 -3.379 -0.425 1.00 87.29 C +HETATM 133 O HYP A 21 11.804 -4.508 0.063 1.00 91.82 O +HETATM 134 CB HYP A 21 11.931 -1.661 1.370 1.00 84.97 C +HETATM 135 CG HYP A 21 10.958 -1.251 2.446 1.00 83.42 C +HETATM 136 CD HYP A 21 9.913 -2.330 2.387 1.00 88.89 C +HETATM 137 OD1 HYP A 21 10.369 -0.010 2.084 1.00 85.11 O +ATOM 138 N GLY A 22 12.269 -3.106 -1.589 1.00 90.22 N +ATOM 139 CA GLY A 22 13.044 -4.057 -2.319 1.00 88.85 C +ATOM 140 C GLY A 22 14.380 -4.275 -1.631 1.00 88.60 C +ATOM 141 O GLY A 22 14.728 -3.559 -0.692 1.00 88.81 O +ATOM 142 N PRO A 23 15.147 -5.235 -2.083 1.00 90.44 N +ATOM 143 CA PRO A 23 16.447 -5.487 -1.478 1.00 90.35 C +ATOM 144 C PRO A 23 17.424 -4.390 -1.876 1.00 88.24 C +ATOM 145 O PRO A 23 17.859 -4.331 -3.022 1.00 85.03 O +ATOM 146 CB PRO A 23 16.844 -6.840 -2.050 1.00 87.57 C +ATOM 147 CG PRO A 23 16.141 -6.899 -3.351 1.00 84.59 C +ATOM 148 CD PRO A 23 14.848 -6.156 -3.156 1.00 89.07 C +HETATM 149 N HYP A 24 17.681 -3.467 -1.106 1.00 92.25 N +HETATM 150 CA HYP A 24 18.204 -2.113 -1.469 1.00 86.24 C +HETATM 151 C HYP A 24 17.360 -1.199 -2.152 1.00 92.78 C +HETATM 152 O HYP A 24 17.808 -0.663 -3.270 1.00 89.58 O +HETATM 153 CB HYP A 24 18.696 -1.606 -0.090 1.00 84.82 C +HETATM 154 CG HYP A 24 19.191 -2.870 0.562 1.00 84.76 C +HETATM 155 CD HYP A 24 18.226 -3.962 0.072 1.00 89.57 C +HETATM 156 OD1 HYP A 24 19.237 -2.775 1.952 1.00 88.21 O +HETATM 157 OXT HYP A 24 16.807 -0.094 -1.544 1.00 85.48 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_342.txt b/protein_pdb_342.txt new file mode 100644 index 0000000000000000000000000000000000000000..6a55093b10ed23d05f9587cc849e4ab6494300be --- /dev/null +++ b/protein_pdb_342.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 1.366 -11.557 -13.944 1.00 64.74 N +ATOM 2 CA GLY A 1 0.064 -11.025 -13.581 1.00 68.73 C +ATOM 3 C GLY A 1 0.140 -9.554 -13.259 1.00 69.63 C +ATOM 4 O GLY A 1 1.218 -8.960 -13.286 1.00 67.45 O +ATOM 5 N PRO A 2 -0.983 -8.968 -12.941 1.00 65.54 N +ATOM 6 CA PRO A 2 -1.017 -7.544 -12.642 1.00 69.48 C +ATOM 7 C PRO A 2 -0.324 -7.237 -11.328 1.00 69.63 C +ATOM 8 O PRO A 2 -0.130 -8.108 -10.491 1.00 67.01 O +ATOM 9 CB PRO A 2 -2.508 -7.229 -12.560 1.00 66.40 C +ATOM 10 CG PRO A 2 -3.130 -8.515 -12.162 1.00 61.14 C +ATOM 11 CD PRO A 2 -2.306 -9.590 -12.814 1.00 58.73 C +HETATM 12 N HYP A 3 0.052 -6.066 -11.199 1.00 69.47 N +HETATM 13 CA HYP A 3 0.601 -5.587 -9.918 1.00 69.16 C +HETATM 14 C HYP A 3 -0.268 -5.861 -8.746 1.00 72.78 C +HETATM 15 O HYP A 3 -1.519 -5.939 -8.891 1.00 78.85 O +HETATM 16 CB HYP A 3 0.754 -4.083 -10.205 1.00 71.38 C +HETATM 17 CG HYP A 3 0.936 -3.987 -11.710 1.00 65.23 C +HETATM 18 CD HYP A 3 -0.034 -5.037 -12.233 1.00 72.09 C +HETATM 19 OD1 HYP A 3 2.247 -4.331 -12.085 1.00 74.24 O +ATOM 20 N GLY A 4 0.310 -6.092 -7.644 1.00 80.30 N +ATOM 21 CA GLY A 4 -0.439 -6.290 -6.430 1.00 78.85 C +ATOM 22 C GLY A 4 -1.162 -5.022 -6.006 1.00 77.81 C +ATOM 23 O GLY A 4 -0.967 -3.954 -6.588 1.00 76.32 O +ATOM 24 N PRO A 5 -1.997 -5.146 -4.997 1.00 82.54 N +ATOM 25 CA PRO A 5 -2.711 -3.976 -4.503 1.00 81.06 C +ATOM 26 C PRO A 5 -1.749 -3.009 -3.819 1.00 81.44 C +ATOM 27 O PRO A 5 -0.648 -3.376 -3.435 1.00 78.35 O +ATOM 28 CB PRO A 5 -3.708 -4.564 -3.517 1.00 77.73 C +ATOM 29 CG PRO A 5 -3.059 -5.811 -3.044 1.00 77.55 C +ATOM 30 CD PRO A 5 -2.298 -6.346 -4.227 1.00 77.42 C +HETATM 31 N HYP A 6 -2.180 -1.817 -3.682 1.00 83.18 N +HETATM 32 CA HYP A 6 -1.390 -0.811 -2.982 1.00 84.98 C +HETATM 33 C HYP A 6 -1.029 -1.206 -1.596 1.00 83.97 C +HETATM 34 O HYP A 6 -1.782 -1.984 -0.930 1.00 83.27 O +HETATM 35 CB HYP A 6 -2.364 0.381 -3.035 1.00 81.83 C +HETATM 36 CG HYP A 6 -3.225 0.139 -4.253 1.00 79.17 C +HETATM 37 CD HYP A 6 -3.436 -1.323 -4.227 1.00 82.88 C +HETATM 38 OD1 HYP A 6 -2.546 0.485 -5.456 1.00 80.38 O +ATOM 39 N GLY A 7 0.094 -0.789 -1.172 1.00 82.62 N +ATOM 40 CA GLY A 7 0.521 -1.041 0.179 1.00 80.65 C +ATOM 41 C GLY A 7 -0.352 -0.319 1.184 1.00 80.50 C +ATOM 42 O GLY A 7 -1.233 0.463 0.824 1.00 79.03 O +ATOM 43 N PRO A 8 -0.119 -0.580 2.454 1.00 79.04 N +ATOM 44 CA PRO A 8 -0.910 0.088 3.482 1.00 77.25 C +ATOM 45 C PRO A 8 -0.559 1.562 3.568 1.00 77.82 C +ATOM 46 O PRO A 8 0.516 1.986 3.154 1.00 74.94 O +ATOM 47 CB PRO A 8 -0.519 -0.656 4.758 1.00 74.14 C +ATOM 48 CG PRO A 8 0.857 -1.149 4.476 1.00 75.09 C +ATOM 49 CD PRO A 8 0.889 -1.462 3.007 1.00 74.39 C +HETATM 50 N HYP A 9 -1.462 2.332 4.152 1.00 73.37 N +HETATM 51 CA HYP A 9 -1.217 3.698 4.315 1.00 74.27 C +HETATM 52 C HYP A 9 -0.030 3.997 5.218 1.00 76.28 C +HETATM 53 O HYP A 9 0.236 3.251 6.160 1.00 76.69 O +HETATM 54 CB HYP A 9 -2.532 4.153 5.029 1.00 73.50 C +HETATM 55 CG HYP A 9 -3.543 3.126 4.682 1.00 73.55 C +HETATM 56 CD HYP A 9 -2.781 1.889 4.583 1.00 75.33 C +HETATM 57 OD1 HYP A 9 -4.125 3.401 3.420 1.00 73.48 O +ATOM 58 N GLY A 10 0.719 5.021 4.921 1.00 73.21 N +ATOM 59 CA GLY A 10 1.795 5.455 5.769 1.00 70.55 C +ATOM 60 C GLY A 10 1.269 6.016 7.078 1.00 69.24 C +ATOM 61 O GLY A 10 0.124 6.454 7.176 1.00 65.58 O +ATOM 62 N ASN A 11 2.109 6.007 8.067 1.00 65.29 N +ATOM 63 CA ASN A 11 1.675 6.445 9.388 1.00 67.91 C +ATOM 64 C ASN A 11 1.449 7.944 9.488 1.00 66.77 C +ATOM 65 O ASN A 11 0.657 8.387 10.320 1.00 63.55 O +ATOM 66 CB ASN A 11 2.695 6.027 10.440 1.00 64.67 C +ATOM 67 CG ASN A 11 2.711 4.535 10.656 1.00 60.34 C +ATOM 68 OD1 ASN A 11 1.707 3.868 10.471 1.00 55.57 O +ATOM 69 ND2 ASN A 11 3.857 4.024 11.057 1.00 53.75 N +ATOM 70 N CYS A 12 2.147 8.718 8.690 1.00 62.26 N +ATOM 71 CA CYS A 12 2.061 10.171 8.750 1.00 64.37 C +ATOM 72 C CYS A 12 1.236 10.745 7.619 1.00 65.09 C +ATOM 73 O CYS A 12 1.369 11.926 7.287 1.00 59.54 O +ATOM 74 CB CYS A 12 3.462 10.776 8.761 1.00 59.97 C +ATOM 75 SG CYS A 12 4.388 10.319 10.235 1.00 53.29 S +ATOM 76 N GLY A 13 0.395 9.933 7.012 1.00 62.27 N +ATOM 77 CA GLY A 13 -0.484 10.375 5.960 1.00 63.14 C +ATOM 78 C GLY A 13 -0.127 9.901 4.569 1.00 63.21 C +ATOM 79 O GLY A 13 -1.032 9.600 3.786 1.00 64.43 O +ATOM 80 N PRO A 14 1.147 9.851 4.209 1.00 66.91 N +ATOM 81 CA PRO A 14 1.457 9.402 2.858 1.00 68.38 C +ATOM 82 C PRO A 14 1.146 7.925 2.693 1.00 68.31 C +ATOM 83 O PRO A 14 1.187 7.152 3.647 1.00 66.16 O +ATOM 84 CB PRO A 14 2.951 9.675 2.707 1.00 65.32 C +ATOM 85 CG PRO A 14 3.472 9.632 4.094 1.00 63.38 C +ATOM 86 CD PRO A 14 2.369 10.194 4.952 1.00 61.66 C +HETATM 87 N HYP A 15 0.857 7.603 1.539 1.00 71.56 N +HETATM 88 CA HYP A 15 0.598 6.199 1.222 1.00 71.28 C +HETATM 89 C HYP A 15 1.774 5.317 1.515 1.00 79.18 C +HETATM 90 O HYP A 15 2.935 5.756 1.471 1.00 75.72 O +HETATM 91 CB HYP A 15 0.332 6.319 -0.293 1.00 76.86 C +HETATM 92 CG HYP A 15 -0.175 7.740 -0.488 1.00 71.81 C +HETATM 93 CD HYP A 15 0.679 8.514 0.416 1.00 76.39 C +HETATM 94 OD1 HYP A 15 -1.530 7.849 -0.114 1.00 72.68 O +ATOM 95 N GLY A 16 1.511 4.119 1.865 1.00 73.01 N +ATOM 96 CA GLY A 16 2.564 3.152 2.027 1.00 72.55 C +ATOM 97 C GLY A 16 3.135 2.747 0.678 1.00 73.63 C +ATOM 98 O GLY A 16 2.681 3.200 -0.371 1.00 72.04 O +ATOM 99 N PRO A 17 4.151 1.895 0.708 1.00 79.20 N +ATOM 100 CA PRO A 17 4.729 1.432 -0.545 1.00 78.28 C +ATOM 101 C PRO A 17 3.757 0.549 -1.303 1.00 79.82 C +ATOM 102 O PRO A 17 2.804 0.021 -0.743 1.00 76.85 O +ATOM 103 CB PRO A 17 5.965 0.652 -0.093 1.00 74.61 C +ATOM 104 CG PRO A 17 5.640 0.220 1.283 1.00 74.17 C +ATOM 105 CD PRO A 17 4.773 1.289 1.870 1.00 73.88 C +HETATM 106 N HYP A 18 3.998 0.386 -2.556 1.00 82.19 N +HETATM 107 CA HYP A 18 3.187 -0.481 -3.356 1.00 81.88 C +HETATM 108 C HYP A 18 3.127 -1.868 -2.843 1.00 84.45 C +HETATM 109 O HYP A 18 4.109 -2.348 -2.208 1.00 83.24 O +HETATM 110 CB HYP A 18 3.883 -0.352 -4.697 1.00 80.60 C +HETATM 111 CG HYP A 18 4.548 1.004 -4.668 1.00 79.48 C +HETATM 112 CD HYP A 18 5.023 1.107 -3.282 1.00 82.85 C +HETATM 113 OD1 HYP A 18 3.622 2.038 -4.930 1.00 80.72 O +ATOM 114 N GLY A 19 2.046 -2.498 -3.041 1.00 82.90 N +ATOM 115 CA GLY A 19 1.889 -3.873 -2.653 1.00 82.59 C +ATOM 116 C GLY A 19 2.795 -4.785 -3.450 1.00 83.61 C +ATOM 117 O GLY A 19 3.491 -4.358 -4.368 1.00 83.40 O +ATOM 118 N PRO A 20 2.770 -6.057 -3.104 1.00 80.71 N +ATOM 119 CA PRO A 20 3.599 -7.013 -3.814 1.00 80.05 C +ATOM 120 C PRO A 20 3.076 -7.243 -5.222 1.00 80.51 C +ATOM 121 O PRO A 20 1.933 -6.929 -5.531 1.00 78.17 O +ATOM 122 CB PRO A 20 3.469 -8.276 -2.961 1.00 76.91 C +ATOM 123 CG PRO A 20 2.132 -8.145 -2.335 1.00 76.50 C +ATOM 124 CD PRO A 20 1.946 -6.677 -2.078 1.00 76.52 C +HETATM 125 N HYP A 21 3.890 -7.791 -6.048 1.00 80.46 N +HETATM 126 CA HYP A 21 3.479 -8.141 -7.372 1.00 79.78 C +HETATM 127 C HYP A 21 2.286 -9.093 -7.404 1.00 82.46 C +HETATM 128 O HYP A 21 2.122 -9.880 -6.473 1.00 83.59 O +HETATM 129 CB HYP A 21 4.707 -8.825 -7.928 1.00 81.17 C +HETATM 130 CG HYP A 21 5.852 -8.224 -7.146 1.00 78.12 C +HETATM 131 CD HYP A 21 5.305 -8.072 -5.790 1.00 82.30 C +HETATM 132 OD1 HYP A 21 6.186 -6.932 -7.638 1.00 80.88 O +ATOM 133 N GLY A 22 1.446 -8.919 -8.345 1.00 77.21 N +ATOM 134 CA GLY A 22 0.302 -9.768 -8.504 1.00 74.66 C +ATOM 135 C GLY A 22 0.693 -11.178 -8.888 1.00 73.54 C +ATOM 136 O GLY A 22 1.865 -11.492 -9.061 1.00 71.85 O +ATOM 137 N PRO A 23 -0.294 -12.033 -9.052 1.00 79.91 N +ATOM 138 CA PRO A 23 -0.015 -13.408 -9.446 1.00 80.26 C +ATOM 139 C PRO A 23 0.645 -13.460 -10.802 1.00 79.63 C +ATOM 140 O PRO A 23 0.478 -12.570 -11.624 1.00 76.33 O +ATOM 141 CB PRO A 23 -1.402 -14.051 -9.501 1.00 74.94 C +ATOM 142 CG PRO A 23 -2.272 -13.145 -8.723 1.00 71.32 C +ATOM 143 CD PRO A 23 -1.707 -11.775 -8.872 1.00 71.94 C +HETATM 144 N HYP A 24 1.328 -14.507 -11.133 1.00 77.87 N +HETATM 145 CA HYP A 24 1.948 -14.516 -12.422 1.00 76.62 C +HETATM 146 C HYP A 24 0.958 -14.254 -13.533 1.00 74.09 C +HETATM 147 O HYP A 24 1.284 -14.359 -14.697 1.00 78.18 O +HETATM 148 CB HYP A 24 2.490 -15.940 -12.504 1.00 76.89 C +HETATM 149 CG HYP A 24 2.582 -16.456 -11.106 1.00 75.64 C +HETATM 150 CD HYP A 24 1.469 -15.748 -10.376 1.00 79.29 C +HETATM 151 OD1 HYP A 24 3.814 -16.041 -10.503 1.00 78.19 O +HETATM 152 OXT HYP A 24 -0.201 -13.998 -13.250 1.00 74.56 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_343.txt b/protein_pdb_343.txt new file mode 100644 index 0000000000000000000000000000000000000000..121559302644a421d922a229fb8a6577dd63db5c --- /dev/null +++ b/protein_pdb_343.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -2.982 -15.034 -6.306 1.00 73.11 N +ATOM 2 CA GLY A 1 -3.616 -13.834 -6.837 1.00 75.64 C +ATOM 3 C GLY A 1 -2.596 -12.760 -7.118 1.00 77.13 C +ATOM 4 O GLY A 1 -1.413 -12.932 -6.832 1.00 73.03 O +ATOM 5 N PRO A 2 -3.046 -11.654 -7.652 1.00 78.51 N +ATOM 6 CA PRO A 2 -2.126 -10.575 -8.000 1.00 80.89 C +ATOM 7 C PRO A 2 -1.620 -9.832 -6.776 1.00 80.83 C +ATOM 8 O PRO A 2 -2.186 -9.923 -5.697 1.00 77.99 O +ATOM 9 CB PRO A 2 -2.979 -9.659 -8.881 1.00 76.70 C +ATOM 10 CG PRO A 2 -4.362 -9.889 -8.413 1.00 71.71 C +ATOM 11 CD PRO A 2 -4.432 -11.333 -8.003 1.00 71.27 C +HETATM 12 N HYP A 3 -0.575 -9.155 -6.983 1.00 81.27 N +HETATM 13 CA HYP A 3 -0.054 -8.260 -5.924 1.00 83.35 C +HETATM 14 C HYP A 3 -1.091 -7.294 -5.454 1.00 81.45 C +HETATM 15 O HYP A 3 -1.981 -6.882 -6.250 1.00 87.02 O +HETATM 16 CB HYP A 3 1.120 -7.567 -6.626 1.00 82.76 C +HETATM 17 CG HYP A 3 1.586 -8.558 -7.680 1.00 77.85 C +HETATM 18 CD HYP A 3 0.255 -9.153 -8.180 1.00 79.96 C +HETATM 19 OD1 HYP A 3 2.339 -9.563 -7.057 1.00 81.39 O +ATOM 20 N GLY A 4 -1.041 -6.982 -4.205 1.00 85.40 N +ATOM 21 CA GLY A 4 -1.935 -6.006 -3.645 1.00 84.85 C +ATOM 22 C GLY A 4 -1.652 -4.613 -4.175 1.00 86.04 C +ATOM 23 O GLY A 4 -0.674 -4.388 -4.885 1.00 85.16 O +ATOM 24 N PRO A 5 -2.514 -3.684 -3.836 1.00 84.50 N +ATOM 25 CA PRO A 5 -2.335 -2.320 -4.303 1.00 85.48 C +ATOM 26 C PRO A 5 -1.162 -1.640 -3.607 1.00 85.51 C +ATOM 27 O PRO A 5 -0.710 -2.076 -2.557 1.00 83.25 O +ATOM 28 CB PRO A 5 -3.656 -1.650 -3.940 1.00 82.21 C +ATOM 29 CG PRO A 5 -4.143 -2.420 -2.766 1.00 80.15 C +ATOM 30 CD PRO A 5 -3.702 -3.834 -2.997 1.00 81.85 C +HETATM 31 N HYP A 6 -0.683 -0.590 -4.221 1.00 84.59 N +HETATM 32 CA HYP A 6 0.344 0.236 -3.598 1.00 89.95 C +HETATM 33 C HYP A 6 -0.069 0.742 -2.264 1.00 83.76 C +HETATM 34 O HYP A 6 -1.286 0.988 -2.015 1.00 86.98 O +HETATM 35 CB HYP A 6 0.483 1.369 -4.625 1.00 82.60 C +HETATM 36 CG HYP A 6 0.056 0.764 -5.927 1.00 78.54 C +HETATM 37 CD HYP A 6 -1.072 -0.152 -5.526 1.00 83.39 C +HETATM 38 OD1 HYP A 6 1.116 0.012 -6.464 1.00 84.96 O +ATOM 39 N GLY A 7 0.854 0.812 -1.368 1.00 87.81 N +ATOM 40 CA GLY A 7 0.599 1.344 -0.057 1.00 86.06 C +ATOM 41 C GLY A 7 0.209 2.808 -0.115 1.00 86.42 C +ATOM 42 O GLY A 7 0.279 3.451 -1.162 1.00 85.35 O +ATOM 43 N PRO A 8 -0.217 3.322 1.010 1.00 84.12 N +ATOM 44 CA PRO A 8 -0.645 4.715 1.042 1.00 83.96 C +ATOM 45 C PRO A 8 0.533 5.665 0.884 1.00 83.41 C +ATOM 46 O PRO A 8 1.665 5.348 1.233 1.00 79.65 O +ATOM 47 CB PRO A 8 -1.297 4.858 2.414 1.00 79.74 C +ATOM 48 CG PRO A 8 -0.622 3.826 3.239 1.00 80.53 C +ATOM 49 CD PRO A 8 -0.333 2.676 2.314 1.00 82.40 C +HETATM 50 N HYP A 9 0.247 6.852 0.407 1.00 77.17 N +HETATM 51 CA HYP A 9 1.234 7.850 0.234 1.00 84.49 C +HETATM 52 C HYP A 9 1.717 8.351 1.585 1.00 77.95 C +HETATM 53 O HYP A 9 0.944 8.423 2.547 1.00 81.18 O +HETATM 54 CB HYP A 9 0.403 9.073 -0.339 1.00 75.58 C +HETATM 55 CG HYP A 9 -0.817 8.487 -0.896 1.00 75.85 C +HETATM 56 CD HYP A 9 -1.087 7.294 -0.066 1.00 81.28 C +HETATM 57 OD1 HYP A 9 -0.536 8.063 -2.221 1.00 78.47 O +ATOM 58 N GLY A 10 2.964 8.593 1.688 1.00 83.43 N +ATOM 59 CA GLY A 10 3.441 9.356 2.813 1.00 79.77 C +ATOM 60 C GLY A 10 2.969 10.790 2.666 1.00 80.05 C +ATOM 61 O GLY A 10 2.520 11.205 1.599 1.00 76.54 O +ATOM 62 N THR A 11 3.079 11.535 3.719 1.00 80.69 N +ATOM 63 CA THR A 11 2.645 12.932 3.621 1.00 82.66 C +ATOM 64 C THR A 11 3.460 13.702 2.591 1.00 81.43 C +ATOM 65 O THR A 11 2.971 14.681 2.023 1.00 78.27 O +ATOM 66 CB THR A 11 2.711 13.630 4.983 1.00 78.64 C +ATOM 67 OG1 THR A 11 4.020 13.494 5.522 1.00 74.40 O +ATOM 68 CG2 THR A 11 1.704 13.031 5.947 1.00 72.21 C +ATOM 69 N GLU A 12 4.673 13.240 2.341 1.00 69.58 N +ATOM 70 CA GLU A 12 5.536 13.842 1.336 1.00 74.16 C +ATOM 71 C GLU A 12 6.075 12.799 0.368 1.00 74.48 C +ATOM 72 O GLU A 12 7.077 13.054 -0.304 1.00 68.31 O +ATOM 73 CB GLU A 12 6.721 14.553 1.994 1.00 68.61 C +ATOM 74 CG GLU A 12 6.347 15.625 2.980 1.00 62.28 C +ATOM 75 CD GLU A 12 7.585 16.297 3.552 1.00 57.47 C +ATOM 76 OE1 GLU A 12 7.952 17.369 3.056 1.00 53.36 O +ATOM 77 OE2 GLU A 12 8.194 15.720 4.470 1.00 57.63 O +ATOM 78 N GLY A 13 5.454 11.653 0.280 1.00 82.16 N +ATOM 79 CA GLY A 13 6.035 10.555 -0.453 1.00 79.39 C +ATOM 80 C GLY A 13 5.070 9.808 -1.334 1.00 80.84 C +ATOM 81 O GLY A 13 3.855 9.969 -1.242 1.00 80.48 O +ATOM 82 N PRO A 14 5.621 8.995 -2.205 1.00 79.73 N +ATOM 83 CA PRO A 14 4.825 8.212 -3.137 1.00 80.17 C +ATOM 84 C PRO A 14 4.157 7.035 -2.444 1.00 79.81 C +ATOM 85 O PRO A 14 4.466 6.700 -1.307 1.00 76.37 O +ATOM 86 CB PRO A 14 5.851 7.732 -4.150 1.00 76.67 C +ATOM 87 CG PRO A 14 7.093 7.576 -3.346 1.00 76.53 C +ATOM 88 CD PRO A 14 7.059 8.714 -2.358 1.00 76.42 C +HETATM 89 N HYP A 15 3.299 6.445 -3.188 1.00 80.37 N +HETATM 90 CA HYP A 15 2.679 5.217 -2.724 1.00 80.36 C +HETATM 91 C HYP A 15 3.699 4.175 -2.402 1.00 80.08 C +HETATM 92 O HYP A 15 4.789 4.144 -3.027 1.00 83.92 O +HETATM 93 CB HYP A 15 1.836 4.837 -3.962 1.00 77.92 C +HETATM 94 CG HYP A 15 1.581 6.136 -4.690 1.00 74.28 C +HETATM 95 CD HYP A 15 2.854 6.891 -4.494 1.00 79.98 C +HETATM 96 OD1 HYP A 15 0.526 6.817 -4.089 1.00 80.86 O +ATOM 97 N GLY A 16 3.395 3.367 -1.458 1.00 85.43 N +ATOM 98 CA GLY A 16 4.264 2.260 -1.142 1.00 84.65 C +ATOM 99 C GLY A 16 4.237 1.208 -2.227 1.00 86.84 C +ATOM 100 O GLY A 16 3.503 1.317 -3.210 1.00 86.36 O +ATOM 101 N PRO A 17 5.058 0.181 -2.050 1.00 86.41 N +ATOM 102 CA PRO A 17 5.115 -0.881 -3.042 1.00 86.45 C +ATOM 103 C PRO A 17 3.850 -1.722 -3.031 1.00 87.43 C +ATOM 104 O PRO A 17 3.081 -1.705 -2.075 1.00 85.36 O +ATOM 105 CB PRO A 17 6.333 -1.695 -2.622 1.00 83.59 C +ATOM 106 CG PRO A 17 6.473 -1.435 -1.174 1.00 83.98 C +ATOM 107 CD PRO A 17 5.971 -0.047 -0.933 1.00 84.77 C +HETATM 108 N HYP A 18 3.653 -2.466 -4.102 1.00 83.89 N +HETATM 109 CA HYP A 18 2.562 -3.389 -4.161 1.00 88.66 C +HETATM 110 C HYP A 18 2.586 -4.372 -3.043 1.00 85.17 C +HETATM 111 O HYP A 18 3.677 -4.774 -2.584 1.00 88.16 O +HETATM 112 CB HYP A 18 2.779 -4.073 -5.501 1.00 83.84 C +HETATM 113 CG HYP A 18 3.506 -3.055 -6.322 1.00 80.10 C +HETATM 114 CD HYP A 18 4.410 -2.404 -5.330 1.00 85.72 C +HETATM 115 OD1 HYP A 18 2.586 -2.121 -6.834 1.00 84.94 O +ATOM 116 N GLY A 19 1.434 -4.715 -2.576 1.00 85.74 N +ATOM 117 CA GLY A 19 1.316 -5.697 -1.539 1.00 85.27 C +ATOM 118 C GLY A 19 1.711 -7.076 -2.024 1.00 86.34 C +ATOM 119 O GLY A 19 2.007 -7.279 -3.203 1.00 85.73 O +ATOM 120 N PRO A 20 1.706 -8.027 -1.116 1.00 80.20 N +ATOM 121 CA PRO A 20 2.081 -9.381 -1.477 1.00 80.57 C +ATOM 122 C PRO A 20 1.031 -10.027 -2.361 1.00 80.24 C +ATOM 123 O PRO A 20 -0.106 -9.578 -2.427 1.00 78.11 O +ATOM 124 CB PRO A 20 2.178 -10.083 -0.127 1.00 76.82 C +ATOM 125 CG PRO A 20 1.243 -9.326 0.742 1.00 73.93 C +ATOM 126 CD PRO A 20 1.319 -7.904 0.284 1.00 74.53 C +HETATM 127 N HYP A 21 1.426 -11.086 -3.032 1.00 81.36 N +HETATM 128 CA HYP A 21 0.504 -11.840 -3.820 1.00 84.39 C +HETATM 129 C HYP A 21 -0.695 -12.353 -3.058 1.00 81.45 C +HETATM 130 O HYP A 21 -0.545 -12.649 -1.871 1.00 86.66 O +HETATM 131 CB HYP A 21 1.314 -12.982 -4.386 1.00 80.46 C +HETATM 132 CG HYP A 21 2.723 -12.455 -4.393 1.00 76.73 C +HETATM 133 CD HYP A 21 2.791 -11.588 -3.161 1.00 82.83 C +HETATM 134 OD1 HYP A 21 2.927 -11.616 -5.525 1.00 83.47 O +ATOM 135 N GLY A 22 -1.829 -12.295 -3.649 1.00 81.44 N +ATOM 136 CA GLY A 22 -3.028 -12.768 -3.030 1.00 79.55 C +ATOM 137 C GLY A 22 -3.021 -14.275 -2.857 1.00 80.04 C +ATOM 138 O GLY A 22 -2.034 -14.943 -3.159 1.00 78.25 O +ATOM 139 N PRO A 23 -4.131 -14.822 -2.390 1.00 82.00 N +ATOM 140 CA PRO A 23 -4.224 -16.264 -2.202 1.00 83.25 C +ATOM 141 C PRO A 23 -4.014 -17.011 -3.502 1.00 82.60 C +ATOM 142 O PRO A 23 -4.248 -16.470 -4.582 1.00 77.61 O +ATOM 143 CB PRO A 23 -5.647 -16.471 -1.691 1.00 77.72 C +ATOM 144 CG PRO A 23 -6.066 -15.149 -1.189 1.00 75.23 C +ATOM 145 CD PRO A 23 -5.354 -14.140 -2.026 1.00 77.19 C +HETATM 146 N HYP A 24 -3.654 -18.201 -3.492 1.00 82.47 N +HETATM 147 CA HYP A 24 -3.393 -18.910 -4.692 1.00 79.13 C +HETATM 148 C HYP A 24 -4.121 -18.519 -5.891 1.00 81.55 C +HETATM 149 O HYP A 24 -5.280 -18.132 -5.738 1.00 76.09 O +HETATM 150 CB HYP A 24 -3.398 -20.351 -4.280 1.00 79.33 C +HETATM 151 CG HYP A 24 -3.293 -20.328 -2.758 1.00 76.96 C +HETATM 152 CD HYP A 24 -3.878 -19.002 -2.351 1.00 82.09 C +HETATM 153 OD1 HYP A 24 -1.924 -20.307 -2.352 1.00 78.55 O +HETATM 154 OXT HYP A 24 -3.560 -18.673 -7.013 1.00 72.74 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_344.txt b/protein_pdb_344.txt new file mode 100644 index 0000000000000000000000000000000000000000..15ecf7c31f7c69aaf5dc178082bf1fd7e2b6c81a --- /dev/null +++ b/protein_pdb_344.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 0.718 -15.929 -4.606 1.00 92.14 N +ATOM 2 CA GLY A 1 0.527 -14.861 -5.531 1.00 92.93 C +ATOM 3 C GLY A 1 1.532 -13.738 -5.374 1.00 93.93 C +ATOM 4 O GLY A 1 2.315 -13.713 -4.428 1.00 92.66 O +ATOM 5 N PRO A 2 1.496 -12.827 -6.270 1.00 90.74 N +ATOM 6 CA PRO A 2 2.420 -11.712 -6.250 1.00 91.68 C +ATOM 7 C PRO A 2 2.026 -10.659 -5.229 1.00 91.53 C +ATOM 8 O PRO A 2 0.918 -10.668 -4.697 1.00 89.36 O +ATOM 9 CB PRO A 2 2.317 -11.160 -7.668 1.00 89.16 C +ATOM 10 CG PRO A 2 0.913 -11.470 -8.061 1.00 86.08 C +ATOM 11 CD PRO A 2 0.589 -12.791 -7.414 1.00 88.03 C +HETATM 12 N HYP A 3 2.968 -9.754 -4.982 1.00 91.77 N +HETATM 13 CA HYP A 3 2.664 -8.654 -4.077 1.00 89.96 C +HETATM 14 C HYP A 3 1.534 -7.804 -4.609 1.00 92.78 C +HETATM 15 O HYP A 3 1.345 -7.707 -5.841 1.00 93.16 O +HETATM 16 CB HYP A 3 4.001 -7.827 -4.083 1.00 89.88 C +HETATM 17 CG HYP A 3 5.062 -8.855 -4.430 1.00 87.94 C +HETATM 18 CD HYP A 3 4.346 -9.766 -5.428 1.00 89.82 C +HETATM 19 OD1 HYP A 3 5.357 -9.581 -3.266 1.00 88.19 O +ATOM 20 N GLY A 4 0.751 -7.288 -3.711 1.00 93.60 N +ATOM 21 CA GLY A 4 -0.326 -6.412 -4.084 1.00 93.55 C +ATOM 22 C GLY A 4 0.184 -5.088 -4.618 1.00 94.51 C +ATOM 23 O GLY A 4 1.374 -4.785 -4.550 1.00 94.40 O +ATOM 24 N PRO A 5 -0.713 -4.289 -5.167 1.00 92.44 N +ATOM 25 CA PRO A 5 -0.321 -3.000 -5.715 1.00 92.76 C +ATOM 26 C PRO A 5 0.065 -2.012 -4.628 1.00 92.64 C +ATOM 27 O PRO A 5 -0.303 -2.172 -3.466 1.00 91.29 O +ATOM 28 CB PRO A 5 -1.575 -2.539 -6.452 1.00 91.39 C +ATOM 29 CG PRO A 5 -2.688 -3.190 -5.709 1.00 89.75 C +ATOM 30 CD PRO A 5 -2.149 -4.519 -5.264 1.00 91.86 C +HETATM 31 N HYP A 6 0.843 -0.993 -5.026 1.00 92.18 N +HETATM 32 CA HYP A 6 1.142 0.082 -4.104 1.00 93.18 C +HETATM 33 C HYP A 6 -0.102 0.751 -3.599 1.00 92.47 C +HETATM 34 O HYP A 6 -1.135 0.798 -4.313 1.00 93.14 O +HETATM 35 CB HYP A 6 1.966 1.065 -4.993 1.00 88.18 C +HETATM 36 CG HYP A 6 2.589 0.174 -6.037 1.00 88.28 C +HETATM 37 CD HYP A 6 1.487 -0.832 -6.312 1.00 90.76 C +HETATM 38 OD1 HYP A 6 3.694 -0.484 -5.463 1.00 88.30 O +ATOM 39 N GLY A 7 -0.062 1.181 -2.390 1.00 94.22 N +ATOM 40 CA GLY A 7 -1.153 1.914 -1.807 1.00 93.75 C +ATOM 41 C GLY A 7 -1.387 3.222 -2.526 1.00 94.40 C +ATOM 42 O GLY A 7 -0.575 3.667 -3.335 1.00 94.13 O +ATOM 43 N PRO A 8 -2.516 3.840 -2.245 1.00 93.14 N +ATOM 44 CA PRO A 8 -2.835 5.093 -2.910 1.00 93.15 C +ATOM 45 C PRO A 8 -1.959 6.232 -2.419 1.00 93.12 C +ATOM 46 O PRO A 8 -1.425 6.202 -1.318 1.00 91.80 O +ATOM 47 CB PRO A 8 -4.302 5.322 -2.539 1.00 91.41 C +ATOM 48 CG PRO A 8 -4.448 4.626 -1.239 1.00 90.31 C +ATOM 49 CD PRO A 8 -3.541 3.430 -1.300 1.00 92.31 C +HETATM 50 N HYP A 9 -1.841 7.273 -3.261 1.00 91.57 N +HETATM 51 CA HYP A 9 -1.101 8.413 -2.888 1.00 89.17 C +HETATM 52 C HYP A 9 -1.831 9.181 -1.791 1.00 92.58 C +HETATM 53 O HYP A 9 -3.065 9.203 -1.740 1.00 91.04 O +HETATM 54 CB HYP A 9 -1.154 9.324 -4.172 1.00 86.05 C +HETATM 55 CG HYP A 9 -1.453 8.389 -5.280 1.00 86.64 C +HETATM 56 CD HYP A 9 -2.311 7.343 -4.685 1.00 89.32 C +HETATM 57 OD1 HYP A 9 -0.236 7.787 -5.692 1.00 86.84 O +ATOM 58 N GLY A 10 -1.135 9.703 -0.862 1.00 92.61 N +ATOM 59 CA GLY A 10 -1.699 10.666 0.055 1.00 91.15 C +ATOM 60 C GLY A 10 -1.943 11.970 -0.672 1.00 91.39 C +ATOM 61 O GLY A 10 -1.530 12.152 -1.820 1.00 89.39 O +ATOM 62 N THR A 11 -2.602 12.888 0.004 1.00 90.83 N +ATOM 63 CA THR A 11 -2.876 14.170 -0.645 1.00 91.77 C +ATOM 64 C THR A 11 -1.601 14.871 -1.088 1.00 91.87 C +ATOM 65 O THR A 11 -1.603 15.582 -2.094 1.00 89.95 O +ATOM 66 CB THR A 11 -3.686 15.090 0.271 1.00 90.37 C +ATOM 67 OG1 THR A 11 -3.074 15.150 1.550 1.00 86.45 O +ATOM 68 CG2 THR A 11 -5.103 14.585 0.415 1.00 83.90 C +ATOM 69 N THR A 12 -0.520 14.667 -0.345 1.00 91.90 N +ATOM 70 CA THR A 12 0.785 15.200 -0.719 1.00 92.17 C +ATOM 71 C THR A 12 1.876 14.136 -0.643 1.00 92.12 C +ATOM 72 O THR A 12 3.066 14.470 -0.735 1.00 88.65 O +ATOM 73 CB THR A 12 1.177 16.389 0.183 1.00 90.04 C +ATOM 74 OG1 THR A 12 1.243 15.949 1.535 1.00 86.47 O +ATOM 75 CG2 THR A 12 0.159 17.519 0.083 1.00 83.40 C +ATOM 76 N GLY A 13 1.513 12.896 -0.467 1.00 93.97 N +ATOM 77 CA GLY A 13 2.473 11.853 -0.156 1.00 93.04 C +ATOM 78 C GLY A 13 2.600 10.792 -1.218 1.00 93.91 C +ATOM 79 O GLY A 13 1.815 10.729 -2.164 1.00 93.66 O +ATOM 80 N PRO A 14 3.602 9.946 -1.066 1.00 93.61 N +ATOM 81 CA PRO A 14 3.861 8.884 -2.029 1.00 93.58 C +ATOM 82 C PRO A 14 2.886 7.729 -1.868 1.00 93.91 C +ATOM 83 O PRO A 14 2.180 7.621 -0.879 1.00 92.61 O +ATOM 84 CB PRO A 14 5.284 8.440 -1.681 1.00 92.19 C +ATOM 85 CG PRO A 14 5.366 8.663 -0.213 1.00 91.07 C +ATOM 86 CD PRO A 14 4.561 9.913 0.052 1.00 92.25 C +HETATM 87 N HYP A 15 2.915 6.888 -2.872 1.00 93.66 N +HETATM 88 CA HYP A 15 2.148 5.670 -2.784 1.00 92.78 C +HETATM 89 C HYP A 15 2.621 4.806 -1.658 1.00 95.18 C +HETATM 90 O HYP A 15 3.811 4.855 -1.270 1.00 93.22 O +HETATM 91 CB HYP A 15 2.481 4.995 -4.144 1.00 90.84 C +HETATM 92 CG HYP A 15 2.845 6.140 -5.057 1.00 89.57 C +HETATM 93 CD HYP A 15 3.589 7.073 -4.159 1.00 91.56 C +HETATM 94 OD1 HYP A 15 1.672 6.761 -5.525 1.00 89.22 O +ATOM 95 N GLY A 16 1.729 4.084 -1.097 1.00 95.21 N +ATOM 96 CA GLY A 16 2.095 3.135 -0.080 1.00 94.95 C +ATOM 97 C GLY A 16 2.882 1.979 -0.657 1.00 95.43 C +ATOM 98 O GLY A 16 3.019 1.846 -1.877 1.00 95.30 O +ATOM 99 N PRO A 17 3.411 1.139 0.220 1.00 92.10 N +ATOM 100 CA PRO A 17 4.181 -0.005 -0.243 1.00 92.08 C +ATOM 101 C PRO A 17 3.289 -1.055 -0.889 1.00 92.42 C +ATOM 102 O PRO A 17 2.077 -1.064 -0.692 1.00 91.16 O +ATOM 103 CB PRO A 17 4.819 -0.530 1.038 1.00 90.86 C +ATOM 104 CG PRO A 17 3.881 -0.118 2.106 1.00 89.24 C +ATOM 105 CD PRO A 17 3.306 1.195 1.670 1.00 90.66 C +HETATM 106 N HYP A 18 3.927 -1.947 -1.677 1.00 89.89 N +HETATM 107 CA HYP A 18 3.196 -3.050 -2.199 1.00 88.78 C +HETATM 108 C HYP A 18 2.598 -3.899 -1.144 1.00 91.65 C +HETATM 109 O HYP A 18 3.155 -4.008 -0.026 1.00 90.83 O +HETATM 110 CB HYP A 18 4.307 -3.850 -2.956 1.00 87.83 C +HETATM 111 CG HYP A 18 5.337 -2.814 -3.324 1.00 86.46 C +HETATM 112 CD HYP A 18 5.308 -1.901 -2.118 1.00 90.60 C +HETATM 113 OD1 HYP A 18 4.880 -2.116 -4.465 1.00 87.75 O +ATOM 114 N GLY A 19 1.459 -4.430 -1.408 1.00 91.40 N +ATOM 115 CA GLY A 19 0.820 -5.332 -0.494 1.00 91.39 C +ATOM 116 C GLY A 19 1.610 -6.614 -0.335 1.00 91.91 C +ATOM 117 O GLY A 19 2.580 -6.858 -1.050 1.00 92.36 O +ATOM 118 N PRO A 20 1.194 -7.438 0.611 1.00 85.71 N +ATOM 119 CA PRO A 20 1.887 -8.693 0.838 1.00 86.35 C +ATOM 120 C PRO A 20 1.644 -9.671 -0.298 1.00 85.81 C +ATOM 121 O PRO A 20 0.704 -9.526 -1.069 1.00 85.94 O +ATOM 122 CB PRO A 20 1.269 -9.198 2.141 1.00 84.77 C +ATOM 123 CG PRO A 20 -0.092 -8.611 2.131 1.00 82.24 C +ATOM 124 CD PRO A 20 0.035 -7.266 1.475 1.00 83.41 C +HETATM 125 N HYP A 21 2.557 -10.663 -0.369 1.00 88.06 N +HETATM 126 CA HYP A 21 2.339 -11.704 -1.341 1.00 88.88 C +HETATM 127 C HYP A 21 1.024 -12.405 -1.154 1.00 89.16 C +HETATM 128 O HYP A 21 0.586 -12.571 -0.017 1.00 91.30 O +HETATM 129 CB HYP A 21 3.506 -12.664 -1.141 1.00 86.03 C +HETATM 130 CG HYP A 21 4.584 -11.824 -0.508 1.00 83.88 C +HETATM 131 CD HYP A 21 3.818 -10.868 0.372 1.00 88.28 C +HETATM 132 OD1 HYP A 21 5.232 -11.073 -1.541 1.00 85.69 O +ATOM 133 N GLY A 22 0.358 -12.679 -2.231 1.00 89.31 N +ATOM 134 CA GLY A 22 -0.879 -13.409 -2.184 1.00 87.56 C +ATOM 135 C GLY A 22 -0.642 -14.840 -1.737 1.00 87.74 C +ATOM 136 O GLY A 22 0.493 -15.293 -1.617 1.00 87.67 O +ATOM 137 N PRO A 23 -1.722 -15.587 -1.504 1.00 91.21 N +ATOM 138 CA PRO A 23 -1.583 -16.975 -1.076 1.00 91.26 C +ATOM 139 C PRO A 23 -1.104 -17.832 -2.238 1.00 89.93 C +ATOM 140 O PRO A 23 -1.836 -18.043 -3.199 1.00 87.04 O +ATOM 141 CB PRO A 23 -2.989 -17.342 -0.620 1.00 88.60 C +ATOM 142 CG PRO A 23 -3.880 -16.422 -1.366 1.00 85.43 C +ATOM 143 CD PRO A 23 -3.100 -15.157 -1.606 1.00 88.53 C +HETATM 144 N HYP A 24 0.103 -18.104 -2.347 1.00 94.27 N +HETATM 145 CA HYP A 24 0.938 -18.438 -3.568 1.00 90.82 C +HETATM 146 C HYP A 24 1.154 -17.504 -4.527 1.00 94.59 C +HETATM 147 O HYP A 24 0.946 -17.809 -5.809 1.00 93.03 O +HETATM 148 CB HYP A 24 1.771 -19.557 -3.159 1.00 90.08 C +HETATM 149 CG HYP A 24 1.054 -20.192 -1.935 1.00 88.75 C +HETATM 150 CD HYP A 24 0.050 -19.140 -1.445 1.00 92.15 C +HETATM 151 OD1 HYP A 24 1.975 -20.445 -0.894 1.00 88.92 O +HETATM 152 OXT HYP A 24 2.444 -16.926 -4.517 1.00 87.47 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_345.txt b/protein_pdb_345.txt new file mode 100644 index 0000000000000000000000000000000000000000..bb38883213ce94361ae74e3f48c111e7982cebe0 --- /dev/null +++ b/protein_pdb_345.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -7.719 13.821 2.279 1.00 79.84 N +ATOM 2 CA GLY A 1 -8.597 12.698 1.992 1.00 80.72 C +ATOM 3 C GLY A 1 -8.238 11.509 2.842 1.00 80.63 C +ATOM 4 O GLY A 1 -7.301 11.564 3.640 1.00 77.18 O +ATOM 5 N PRO A 2 -8.958 10.369 2.695 1.00 82.41 N +ATOM 6 CA PRO A 2 -8.707 9.181 3.497 1.00 83.36 C +ATOM 7 C PRO A 2 -7.436 8.468 3.074 1.00 82.52 C +ATOM 8 O PRO A 2 -6.912 8.681 1.987 1.00 80.24 O +ATOM 9 CB PRO A 2 -9.936 8.313 3.227 1.00 80.40 C +ATOM 10 CG PRO A 2 -10.373 8.723 1.873 1.00 76.44 C +ATOM 11 CD PRO A 2 -10.074 10.190 1.773 1.00 76.29 C +HETATM 12 N HYP A 3 -6.971 7.650 3.955 1.00 83.05 N +HETATM 13 CA HYP A 3 -5.843 6.792 3.624 1.00 85.46 C +HETATM 14 C HYP A 3 -6.140 5.925 2.443 1.00 88.09 C +HETATM 15 O HYP A 3 -7.313 5.540 2.213 1.00 87.24 O +HETATM 16 CB HYP A 3 -5.657 5.985 4.923 1.00 83.82 C +HETATM 17 CG HYP A 3 -6.214 6.894 6.007 1.00 78.77 C +HETATM 18 CD HYP A 3 -7.415 7.536 5.321 1.00 83.61 C +HETATM 19 OD1 HYP A 3 -5.276 7.888 6.317 1.00 81.33 O +ATOM 20 N GLY A 4 -5.141 5.657 1.653 1.00 84.32 N +ATOM 21 CA GLY A 4 -5.295 4.772 0.530 1.00 84.29 C +ATOM 22 C GLY A 4 -5.555 3.344 0.979 1.00 85.21 C +ATOM 23 O GLY A 4 -5.436 3.016 2.164 1.00 84.45 O +ATOM 24 N PRO A 5 -5.907 2.502 0.036 1.00 83.70 N +ATOM 25 CA PRO A 5 -6.164 1.109 0.369 1.00 84.09 C +ATOM 26 C PRO A 5 -4.879 0.366 0.690 1.00 83.40 C +ATOM 27 O PRO A 5 -3.784 0.824 0.373 1.00 81.83 O +ATOM 28 CB PRO A 5 -6.819 0.567 -0.896 1.00 81.42 C +ATOM 29 CG PRO A 5 -6.251 1.410 -1.986 1.00 78.42 C +ATOM 30 CD PRO A 5 -6.069 2.773 -1.386 1.00 80.72 C +HETATM 31 N HYP A 6 -5.063 -0.764 1.331 1.00 87.35 N +HETATM 32 CA HYP A 6 -3.910 -1.637 1.574 1.00 89.88 C +HETATM 33 C HYP A 6 -3.197 -1.991 0.312 1.00 88.88 C +HETATM 34 O HYP A 6 -3.829 -2.103 -0.765 1.00 88.05 O +HETATM 35 CB HYP A 6 -4.594 -2.858 2.220 1.00 84.14 C +HETATM 36 CG HYP A 6 -5.853 -2.321 2.844 1.00 81.85 C +HETATM 37 CD HYP A 6 -6.293 -1.300 1.851 1.00 86.15 C +HETATM 38 OD1 HYP A 6 -5.584 -1.699 4.068 1.00 83.31 O +ATOM 39 N GLY A 7 -1.905 -2.064 0.392 1.00 86.34 N +ATOM 40 CA GLY A 7 -1.108 -2.438 -0.749 1.00 83.77 C +ATOM 41 C GLY A 7 -1.381 -3.867 -1.179 1.00 83.91 C +ATOM 42 O GLY A 7 -2.037 -4.640 -0.479 1.00 82.85 O +ATOM 43 N PRO A 8 -0.868 -4.219 -2.333 1.00 83.71 N +ATOM 44 CA PRO A 8 -1.082 -5.570 -2.830 1.00 82.59 C +ATOM 45 C PRO A 8 -0.292 -6.597 -2.041 1.00 82.01 C +ATOM 46 O PRO A 8 0.709 -6.278 -1.407 1.00 79.70 O +ATOM 47 CB PRO A 8 -0.607 -5.498 -4.280 1.00 80.11 C +ATOM 48 CG PRO A 8 0.388 -4.403 -4.279 1.00 80.74 C +ATOM 49 CD PRO A 8 -0.083 -3.412 -3.257 1.00 82.01 C +HETATM 50 N HYP A 9 -0.745 -7.818 -2.131 1.00 83.08 N +HETATM 51 CA HYP A 9 -0.090 -8.881 -1.511 1.00 84.17 C +HETATM 52 C HYP A 9 1.317 -9.063 -2.087 1.00 81.89 C +HETATM 53 O HYP A 9 1.512 -8.848 -3.269 1.00 82.20 O +HETATM 54 CB HYP A 9 -0.891 -10.132 -1.956 1.00 77.62 C +HETATM 55 CG HYP A 9 -2.225 -9.600 -2.307 1.00 78.29 C +HETATM 56 CD HYP A 9 -1.951 -8.251 -2.838 1.00 82.36 C +HETATM 57 OD1 HYP A 9 -3.024 -9.477 -1.141 1.00 77.86 O +ATOM 58 N GLY A 10 2.248 -9.366 -1.300 1.00 83.46 N +ATOM 59 CA GLY A 10 3.601 -9.587 -1.753 1.00 79.96 C +ATOM 60 C GLY A 10 3.862 -11.004 -2.229 1.00 80.99 C +ATOM 61 O GLY A 10 5.001 -11.340 -2.526 1.00 77.91 O +ATOM 62 N GLY A 11 2.832 -11.823 -2.288 1.00 81.08 N +ATOM 63 CA GLY A 11 2.993 -13.241 -2.550 1.00 81.78 C +ATOM 64 C GLY A 11 3.209 -13.970 -1.256 1.00 82.77 C +ATOM 65 O GLY A 11 2.610 -15.013 -1.006 1.00 79.14 O +ATOM 66 N MET A 12 4.063 -13.405 -0.438 1.00 83.05 N +ATOM 67 CA MET A 12 4.274 -13.827 0.930 1.00 85.52 C +ATOM 68 C MET A 12 4.060 -12.608 1.817 1.00 85.41 C +ATOM 69 O MET A 12 4.602 -11.538 1.538 1.00 79.62 O +ATOM 70 CB MET A 12 5.688 -14.371 1.104 1.00 82.67 C +ATOM 71 CG MET A 12 6.000 -14.808 2.515 1.00 77.18 C +ATOM 72 SD MET A 12 7.621 -15.572 2.641 1.00 71.27 S +ATOM 73 CE MET A 12 7.337 -17.072 1.731 1.00 65.14 C +ATOM 74 N GLY A 13 3.278 -12.780 2.857 1.00 80.96 N +ATOM 75 CA GLY A 13 3.016 -11.685 3.767 1.00 78.86 C +ATOM 76 C GLY A 13 1.715 -10.974 3.462 1.00 79.33 C +ATOM 77 O GLY A 13 1.116 -11.172 2.403 1.00 78.26 O +ATOM 78 N PRO A 14 1.269 -10.173 4.397 1.00 81.53 N +ATOM 79 CA PRO A 14 -0.019 -9.504 4.268 1.00 81.47 C +ATOM 80 C PRO A 14 0.034 -8.345 3.285 1.00 81.00 C +ATOM 81 O PRO A 14 1.096 -7.931 2.834 1.00 78.51 O +ATOM 82 CB PRO A 14 -0.289 -9.002 5.682 1.00 78.56 C +ATOM 83 CG PRO A 14 1.065 -8.751 6.237 1.00 77.79 C +ATOM 84 CD PRO A 14 1.936 -9.835 5.659 1.00 76.83 C +HETATM 85 N HYP A 15 -1.130 -7.865 2.972 1.00 86.29 N +HETATM 86 CA HYP A 15 -1.228 -6.656 2.200 1.00 86.05 C +HETATM 87 C HYP A 15 -0.436 -5.572 2.804 1.00 88.19 C +HETATM 88 O HYP A 15 -0.233 -5.550 4.038 1.00 85.83 O +HETATM 89 CB HYP A 15 -2.764 -6.419 2.211 1.00 83.26 C +HETATM 90 CG HYP A 15 -3.324 -7.794 2.338 1.00 79.44 C +HETATM 91 CD HYP A 15 -2.385 -8.467 3.305 1.00 84.94 C +HETATM 92 OD1 HYP A 15 -3.325 -8.432 1.123 1.00 82.75 O +ATOM 93 N GLY A 16 0.028 -4.686 2.002 1.00 85.93 N +ATOM 94 CA GLY A 16 0.756 -3.548 2.506 1.00 84.88 C +ATOM 95 C GLY A 16 -0.127 -2.646 3.339 1.00 86.10 C +ATOM 96 O GLY A 16 -1.343 -2.816 3.405 1.00 85.07 O +ATOM 97 N PRO A 17 0.496 -1.680 3.981 1.00 85.44 N +ATOM 98 CA PRO A 17 -0.269 -0.756 4.808 1.00 85.07 C +ATOM 99 C PRO A 17 -1.101 0.186 3.965 1.00 86.12 C +ATOM 100 O PRO A 17 -0.896 0.315 2.760 1.00 84.47 O +ATOM 101 CB PRO A 17 0.818 -0.001 5.576 1.00 82.94 C +ATOM 102 CG PRO A 17 2.008 -0.090 4.705 1.00 82.26 C +ATOM 103 CD PRO A 17 1.924 -1.401 3.990 1.00 82.43 C +HETATM 104 N HYP A 18 -2.064 0.787 4.583 1.00 87.75 N +HETATM 105 CA HYP A 18 -2.822 1.811 3.942 1.00 89.99 C +HETATM 106 C HYP A 18 -1.984 2.840 3.337 1.00 89.68 C +HETATM 107 O HYP A 18 -0.885 3.163 3.868 1.00 87.04 O +HETATM 108 CB HYP A 18 -3.705 2.313 5.064 1.00 85.89 C +HETATM 109 CG HYP A 18 -3.833 1.144 6.009 1.00 85.02 C +HETATM 110 CD HYP A 18 -2.473 0.539 5.951 1.00 86.37 C +HETATM 111 OD1 HYP A 18 -4.783 0.224 5.532 1.00 84.39 O +ATOM 112 N GLY A 19 -2.387 3.357 2.226 1.00 86.62 N +ATOM 113 CA GLY A 19 -1.679 4.427 1.580 1.00 86.75 C +ATOM 114 C GLY A 19 -1.694 5.689 2.408 1.00 88.72 C +ATOM 115 O GLY A 19 -2.354 5.772 3.446 1.00 88.22 O +ATOM 116 N PRO A 20 -0.965 6.675 1.949 1.00 81.62 N +ATOM 117 CA PRO A 20 -0.893 7.920 2.692 1.00 82.96 C +ATOM 118 C PRO A 20 -2.205 8.684 2.641 1.00 82.51 C +ATOM 119 O PRO A 20 -3.025 8.478 1.751 1.00 81.04 O +ATOM 120 CB PRO A 20 0.222 8.687 1.982 1.00 80.82 C +ATOM 121 CG PRO A 20 0.198 8.152 0.597 1.00 78.06 C +ATOM 122 CD PRO A 20 -0.177 6.701 0.722 1.00 78.97 C +HETATM 123 N HYP A 21 -2.387 9.556 3.576 1.00 85.35 N +HETATM 124 CA HYP A 21 -3.521 10.409 3.593 1.00 87.66 C +HETATM 125 C HYP A 21 -3.593 11.301 2.383 1.00 84.69 C +HETATM 126 O HYP A 21 -2.529 11.702 1.853 1.00 86.02 O +HETATM 127 CB HYP A 21 -3.243 11.285 4.836 1.00 79.32 C +HETATM 128 CG HYP A 21 -2.368 10.424 5.720 1.00 79.14 C +HETATM 129 CD HYP A 21 -1.512 9.717 4.733 1.00 84.26 C +HETATM 130 OD1 HYP A 21 -3.155 9.467 6.421 1.00 82.22 O +ATOM 131 N GLY A 22 -4.736 11.481 1.867 1.00 82.62 N +ATOM 132 CA GLY A 22 -4.904 12.412 0.789 1.00 82.19 C +ATOM 133 C GLY A 22 -4.631 13.831 1.243 1.00 82.52 C +ATOM 134 O GLY A 22 -4.390 14.087 2.425 1.00 81.32 O +ATOM 135 N PRO A 23 -4.672 14.761 0.317 1.00 84.30 N +ATOM 136 CA PRO A 23 -4.409 16.149 0.672 1.00 86.06 C +ATOM 137 C PRO A 23 -5.541 16.728 1.500 1.00 84.74 C +ATOM 138 O PRO A 23 -6.652 16.211 1.511 1.00 81.75 O +ATOM 139 CB PRO A 23 -4.287 16.841 -0.677 1.00 81.91 C +ATOM 140 CG PRO A 23 -5.110 16.005 -1.587 1.00 78.10 C +ATOM 141 CD PRO A 23 -4.967 14.596 -1.096 1.00 79.62 C +HETATM 142 N HYP A 24 -5.262 17.779 2.200 1.00 86.68 N +HETATM 143 CA HYP A 24 -6.357 18.426 2.873 1.00 84.53 C +HETATM 144 C HYP A 24 -7.388 18.661 1.904 1.00 82.05 C +HETATM 145 O HYP A 24 -7.424 19.694 1.223 1.00 80.56 O +HETATM 146 CB HYP A 24 -5.744 19.697 3.437 1.00 83.56 C +HETATM 147 CG HYP A 24 -4.295 19.411 3.583 1.00 81.94 C +HETATM 148 CD HYP A 24 -4.002 18.484 2.430 1.00 85.78 C +HETATM 149 OD1 HYP A 24 -4.045 18.713 4.806 1.00 82.60 O +HETATM 150 OXT HYP A 24 -8.147 17.714 1.751 1.00 77.63 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_346.txt b/protein_pdb_346.txt new file mode 100644 index 0000000000000000000000000000000000000000..f7a9f913357432d739c2d859d1317ac3773d143e --- /dev/null +++ b/protein_pdb_346.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 20.002 -28.015 -5.454 1.00 89.50 N +ATOM 2 CA GLY A 1 19.758 -27.233 -6.665 1.00 91.72 C +ATOM 3 C GLY A 1 20.021 -25.763 -6.438 1.00 91.81 C +ATOM 4 O GLY A 1 20.295 -25.341 -5.314 1.00 89.49 O +ATOM 5 N PRO A 2 19.934 -24.954 -7.468 1.00 92.40 N +ATOM 6 CA PRO A 2 20.169 -23.518 -7.340 1.00 93.98 C +ATOM 7 C PRO A 2 19.026 -22.839 -6.599 1.00 94.04 C +ATOM 8 O PRO A 2 17.922 -23.370 -6.506 1.00 92.59 O +ATOM 9 CB PRO A 2 20.251 -23.039 -8.785 1.00 91.92 C +ATOM 10 CG PRO A 2 19.398 -24.010 -9.522 1.00 88.14 C +ATOM 11 CD PRO A 2 19.632 -25.333 -8.835 1.00 90.07 C +HETATM 12 N HYP A 3 19.294 -21.737 -6.073 1.00 95.28 N +HETATM 13 CA HYP A 3 18.259 -20.869 -5.414 1.00 93.48 C +HETATM 14 C HYP A 3 17.125 -20.512 -6.328 1.00 95.57 C +HETATM 15 O HYP A 3 17.319 -20.287 -7.537 1.00 93.55 O +HETATM 16 CB HYP A 3 19.051 -19.653 -5.002 1.00 94.41 C +HETATM 17 CG HYP A 3 20.483 -20.115 -4.869 1.00 93.12 C +HETATM 18 CD HYP A 3 20.619 -21.129 -6.013 1.00 94.62 C +HETATM 19 OD1 HYP A 3 20.717 -20.747 -3.647 1.00 92.73 O +ATOM 20 N GLY A 4 15.906 -20.447 -5.783 1.00 94.72 N +ATOM 21 CA GLY A 4 14.747 -20.082 -6.559 1.00 94.28 C +ATOM 22 C GLY A 4 14.747 -18.596 -6.876 1.00 94.50 C +ATOM 23 O GLY A 4 15.584 -17.844 -6.369 1.00 94.48 O +ATOM 24 N PRO A 5 13.817 -18.164 -7.697 1.00 95.71 N +ATOM 25 CA PRO A 5 13.744 -16.750 -8.066 1.00 95.88 C +ATOM 26 C PRO A 5 13.246 -15.895 -6.910 1.00 96.13 C +ATOM 27 O PRO A 5 12.580 -16.383 -6.000 1.00 95.76 O +ATOM 28 CB PRO A 5 12.772 -16.735 -9.233 1.00 94.43 C +ATOM 29 CG PRO A 5 11.879 -17.899 -8.952 1.00 92.20 C +ATOM 30 CD PRO A 5 12.790 -18.952 -8.357 1.00 94.14 C +HETATM 31 N HYP A 6 13.578 -14.645 -6.942 1.00 95.45 N +HETATM 32 CA HYP A 6 13.029 -13.666 -5.960 1.00 95.59 C +HETATM 33 C HYP A 6 11.552 -13.564 -6.001 1.00 95.79 C +HETATM 34 O HYP A 6 10.904 -13.743 -7.059 1.00 93.63 O +HETATM 35 CB HYP A 6 13.681 -12.364 -6.413 1.00 91.96 C +HETATM 36 CG HYP A 6 14.935 -12.759 -7.118 1.00 91.02 C +HETATM 37 CD HYP A 6 14.527 -14.035 -7.794 1.00 93.21 C +HETATM 38 OD1 HYP A 6 15.982 -12.980 -6.221 1.00 91.76 O +ATOM 39 N GLY A 7 10.938 -13.270 -4.850 1.00 96.01 N +ATOM 40 CA GLY A 7 9.509 -13.117 -4.762 1.00 95.49 C +ATOM 41 C GLY A 7 9.046 -11.852 -5.463 1.00 95.62 C +ATOM 42 O GLY A 7 9.855 -11.039 -5.911 1.00 95.32 O +ATOM 43 N PRO A 8 7.746 -11.670 -5.539 1.00 95.42 N +ATOM 44 CA PRO A 8 7.208 -10.481 -6.194 1.00 95.56 C +ATOM 45 C PRO A 8 7.472 -9.227 -5.379 1.00 95.44 C +ATOM 46 O PRO A 8 7.633 -9.285 -4.161 1.00 94.66 O +ATOM 47 CB PRO A 8 5.715 -10.779 -6.308 1.00 94.46 C +ATOM 48 CG PRO A 8 5.461 -11.692 -5.163 1.00 93.86 C +ATOM 49 CD PRO A 8 6.700 -12.543 -5.059 1.00 95.53 C +HETATM 50 N HYP A 9 7.508 -8.093 -6.003 1.00 94.77 N +HETATM 51 CA HYP A 9 7.647 -6.813 -5.354 1.00 94.18 C +HETATM 52 C HYP A 9 6.502 -6.518 -4.460 1.00 94.77 C +HETATM 53 O HYP A 9 5.365 -6.972 -4.673 1.00 91.31 O +HETATM 54 CB HYP A 9 7.634 -5.815 -6.553 1.00 93.94 C +HETATM 55 CG HYP A 9 8.181 -6.601 -7.664 1.00 93.01 C +HETATM 56 CD HYP A 9 7.620 -7.957 -7.424 1.00 92.85 C +HETATM 57 OD1 HYP A 9 9.588 -6.640 -7.590 1.00 90.15 O +ATOM 58 N GLY A 10 6.759 -5.682 -3.444 1.00 93.71 N +ATOM 59 CA GLY A 10 5.711 -5.204 -2.571 1.00 92.28 C +ATOM 60 C GLY A 10 4.796 -4.264 -3.336 1.00 92.61 C +ATOM 61 O GLY A 10 5.007 -3.975 -4.512 1.00 92.39 O +ATOM 62 N TYR A 11 3.748 -3.769 -2.633 1.00 92.01 N +ATOM 63 CA TYR A 11 2.775 -2.892 -3.276 1.00 91.55 C +ATOM 64 C TYR A 11 2.540 -1.655 -2.427 1.00 91.34 C +ATOM 65 O TYR A 11 2.731 -1.672 -1.216 1.00 90.57 O +ATOM 66 CB TYR A 11 1.451 -3.627 -3.509 1.00 89.78 C +ATOM 67 CG TYR A 11 0.795 -4.097 -2.242 1.00 84.68 C +ATOM 68 CD1 TYR A 11 1.122 -5.322 -1.683 1.00 83.24 C +ATOM 69 CD2 TYR A 11 -0.154 -3.314 -1.581 1.00 81.01 C +ATOM 70 CE1 TYR A 11 0.534 -5.758 -0.499 1.00 79.01 C +ATOM 71 CE2 TYR A 11 -0.742 -3.737 -0.403 1.00 79.13 C +ATOM 72 CZ TYR A 11 -0.396 -4.960 0.129 1.00 79.55 C +ATOM 73 OH TYR A 11 -0.974 -5.384 1.306 1.00 79.56 O +ATOM 74 N ILE A 12 2.129 -0.587 -3.080 1.00 91.50 N +ATOM 75 CA ILE A 12 1.791 0.647 -2.383 1.00 91.45 C +ATOM 76 C ILE A 12 0.337 0.513 -1.960 1.00 91.47 C +ATOM 77 O ILE A 12 -0.529 0.214 -2.782 1.00 88.91 O +ATOM 78 CB ILE A 12 1.986 1.871 -3.294 1.00 89.06 C +ATOM 79 CG1 ILE A 12 3.457 2.011 -3.669 1.00 85.18 C +ATOM 80 CG2 ILE A 12 1.485 3.147 -2.591 1.00 83.00 C +ATOM 81 CD1 ILE A 12 3.735 3.081 -4.714 1.00 77.01 C +ATOM 82 N GLY A 13 0.096 0.701 -0.672 1.00 92.82 N +ATOM 83 CA GLY A 13 -1.248 0.543 -0.155 1.00 91.49 C +ATOM 84 C GLY A 13 -2.225 1.566 -0.692 1.00 91.83 C +ATOM 85 O GLY A 13 -1.844 2.535 -1.351 1.00 91.97 O +ATOM 86 N PRO A 14 -3.512 1.374 -0.407 1.00 93.32 N +ATOM 87 CA PRO A 14 -4.546 2.289 -0.882 1.00 93.27 C +ATOM 88 C PRO A 14 -4.459 3.631 -0.177 1.00 93.61 C +ATOM 89 O PRO A 14 -3.861 3.751 0.889 1.00 92.48 O +ATOM 90 CB PRO A 14 -5.843 1.563 -0.558 1.00 91.47 C +ATOM 91 CG PRO A 14 -5.489 0.726 0.617 1.00 90.64 C +ATOM 92 CD PRO A 14 -4.080 0.273 0.363 1.00 92.09 C +HETATM 93 N HYP A 15 -5.089 4.653 -0.756 1.00 89.09 N +HETATM 94 CA HYP A 15 -5.170 5.976 -0.146 1.00 89.77 C +HETATM 95 C HYP A 15 -5.834 5.943 1.221 1.00 94.28 C +HETATM 96 O HYP A 15 -6.658 5.074 1.499 1.00 83.29 O +HETATM 97 CB HYP A 15 -6.004 6.713 -1.172 1.00 91.66 C +HETATM 98 CG HYP A 15 -5.713 6.005 -2.446 1.00 84.55 C +HETATM 99 CD HYP A 15 -5.627 4.589 -2.040 1.00 88.19 C +HETATM 100 OD1 HYP A 15 -4.502 6.414 -3.017 1.00 87.29 O +ATOM 101 N GLY A 16 -5.462 6.847 2.059 1.00 94.50 N +ATOM 102 CA GLY A 16 -6.060 6.930 3.361 1.00 93.35 C +ATOM 103 C GLY A 16 -7.503 7.393 3.281 1.00 94.01 C +ATOM 104 O GLY A 16 -7.986 7.782 2.214 1.00 94.32 O +ATOM 105 N PRO A 17 -8.203 7.360 4.409 1.00 93.04 N +ATOM 106 CA PRO A 17 -9.603 7.759 4.422 1.00 93.19 C +ATOM 107 C PRO A 17 -9.751 9.267 4.254 1.00 93.43 C +ATOM 108 O PRO A 17 -8.845 10.029 4.560 1.00 93.41 O +ATOM 109 CB PRO A 17 -10.091 7.291 5.787 1.00 91.21 C +ATOM 110 CG PRO A 17 -8.870 7.342 6.632 1.00 89.52 C +ATOM 111 CD PRO A 17 -7.749 6.908 5.719 1.00 91.14 C +HETATM 112 N HYP A 18 -10.885 9.727 3.794 1.00 91.97 N +HETATM 113 CA HYP A 18 -11.213 11.116 3.700 1.00 92.58 C +HETATM 114 C HYP A 18 -11.293 11.803 5.046 1.00 92.16 C +HETATM 115 O HYP A 18 -11.562 11.171 6.089 1.00 89.86 O +HETATM 116 CB HYP A 18 -12.590 11.063 3.063 1.00 89.90 C +HETATM 117 CG HYP A 18 -12.639 9.790 2.317 1.00 87.19 C +HETATM 118 CD HYP A 18 -11.840 8.884 3.183 1.00 91.18 C +HETATM 119 OD1 HYP A 18 -12.052 9.901 1.045 1.00 90.35 O +ATOM 120 N GLY A 19 -11.009 13.070 5.069 1.00 93.92 N +ATOM 121 CA GLY A 19 -11.084 13.837 6.274 1.00 93.65 C +ATOM 122 C GLY A 19 -12.525 14.014 6.718 1.00 93.91 C +ATOM 123 O GLY A 19 -13.459 13.623 6.016 1.00 93.84 O +ATOM 124 N PRO A 20 -12.720 14.632 7.878 1.00 91.70 N +ATOM 125 CA PRO A 20 -14.074 14.834 8.393 1.00 91.46 C +ATOM 126 C PRO A 20 -14.819 15.886 7.583 1.00 91.42 C +ATOM 127 O PRO A 20 -14.215 16.729 6.935 1.00 90.36 O +ATOM 128 CB PRO A 20 -13.834 15.282 9.835 1.00 88.93 C +ATOM 129 CG PRO A 20 -12.505 15.935 9.790 1.00 86.87 C +ATOM 130 CD PRO A 20 -11.700 15.119 8.800 1.00 88.90 C +HETATM 131 N HYP A 21 -16.122 15.871 7.636 1.00 93.86 N +HETATM 132 CA HYP A 21 -16.967 16.844 6.977 1.00 92.29 C +HETATM 133 C HYP A 21 -16.845 18.259 7.523 1.00 94.27 C +HETATM 134 O HYP A 21 -16.569 18.427 8.718 1.00 92.82 O +HETATM 135 CB HYP A 21 -18.396 16.325 7.311 1.00 92.17 C +HETATM 136 CG HYP A 21 -18.230 14.858 7.533 1.00 89.35 C +HETATM 137 CD HYP A 21 -16.878 14.770 8.171 1.00 92.88 C +HETATM 138 OD1 HYP A 21 -18.200 14.166 6.299 1.00 90.79 O +ATOM 139 N GLY A 22 -16.920 19.247 6.697 1.00 91.24 N +ATOM 140 CA GLY A 22 -16.855 20.620 7.110 1.00 90.37 C +ATOM 141 C GLY A 22 -18.125 21.007 7.852 1.00 90.52 C +ATOM 142 O GLY A 22 -19.058 20.212 7.971 1.00 89.23 O +ATOM 143 N PRO A 23 -18.219 22.253 8.324 1.00 92.70 N +ATOM 144 CA PRO A 23 -19.412 22.693 9.037 1.00 92.49 C +ATOM 145 C PRO A 23 -20.583 22.855 8.093 1.00 91.82 C +ATOM 146 O PRO A 23 -20.408 23.087 6.901 1.00 89.29 O +ATOM 147 CB PRO A 23 -18.987 24.030 9.642 1.00 89.33 C +ATOM 148 CG PRO A 23 -17.946 24.521 8.704 1.00 87.12 C +ATOM 149 CD PRO A 23 -17.199 23.286 8.261 1.00 89.85 C +HETATM 150 N HYP A 24 -21.831 22.808 8.606 1.00 91.69 N +HETATM 151 CA HYP A 24 -22.979 22.940 7.716 1.00 89.02 C +HETATM 152 C HYP A 24 -23.035 24.315 7.116 1.00 92.48 C +HETATM 153 O HYP A 24 -23.451 25.305 7.722 1.00 89.69 O +HETATM 154 CB HYP A 24 -24.198 22.781 8.659 1.00 91.24 C +HETATM 155 CG HYP A 24 -23.684 22.106 9.857 1.00 88.95 C +HETATM 156 CD HYP A 24 -22.223 22.554 9.963 1.00 91.76 C +HETATM 157 OD1 HYP A 24 -23.712 20.724 9.659 1.00 84.97 O +HETATM 158 OXT HYP A 24 -22.545 24.363 6.000 1.00 83.34 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_347.txt b/protein_pdb_347.txt new file mode 100644 index 0000000000000000000000000000000000000000..c6e660822f0b4d395c79b767053653dda36cb51c --- /dev/null +++ b/protein_pdb_347.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -10.407 12.738 1.194 1.00 80.44 N +ATOM 2 CA GLY A 1 -10.937 11.533 0.571 1.00 82.00 C +ATOM 3 C GLY A 1 -10.626 10.316 1.399 1.00 83.50 C +ATOM 4 O GLY A 1 -9.978 10.417 2.436 1.00 80.17 O +ATOM 5 N PRO A 2 -11.064 9.151 0.953 1.00 80.81 N +ATOM 6 CA PRO A 2 -10.846 7.925 1.711 1.00 83.07 C +ATOM 7 C PRO A 2 -9.399 7.467 1.670 1.00 82.61 C +ATOM 8 O PRO A 2 -8.629 7.861 0.803 1.00 79.71 O +ATOM 9 CB PRO A 2 -11.772 6.923 1.026 1.00 79.54 C +ATOM 10 CG PRO A 2 -11.831 7.408 -0.376 1.00 75.37 C +ATOM 11 CD PRO A 2 -11.845 8.913 -0.260 1.00 75.67 C +HETATM 12 N HYP A 3 -9.066 6.681 2.618 1.00 83.97 N +HETATM 13 CA HYP A 3 -7.723 6.065 2.636 1.00 81.15 C +HETATM 14 C HYP A 3 -7.480 5.217 1.393 1.00 83.57 C +HETATM 15 O HYP A 3 -8.448 4.648 0.824 1.00 86.79 O +HETATM 16 CB HYP A 3 -7.804 5.135 3.893 1.00 84.10 C +HETATM 17 CG HYP A 3 -8.833 5.815 4.800 1.00 78.99 C +HETATM 18 CD HYP A 3 -9.866 6.349 3.772 1.00 84.39 C +HETATM 19 OD1 HYP A 3 -8.213 6.892 5.449 1.00 83.47 O +ATOM 20 N GLY A 4 -6.254 5.172 0.971 1.00 86.14 N +ATOM 21 CA GLY A 4 -5.900 4.389 -0.181 1.00 85.75 C +ATOM 22 C GLY A 4 -5.962 2.907 0.146 1.00 86.32 C +ATOM 23 O GLY A 4 -6.118 2.518 1.301 1.00 86.49 O +ATOM 24 N PRO A 5 -5.839 2.073 -0.875 1.00 85.51 N +ATOM 25 CA PRO A 5 -5.893 0.635 -0.662 1.00 86.47 C +ATOM 26 C PRO A 5 -4.620 0.117 -0.009 1.00 86.00 C +ATOM 27 O PRO A 5 -3.600 0.794 0.009 1.00 84.67 O +ATOM 28 CB PRO A 5 -6.072 0.080 -2.067 1.00 83.88 C +ATOM 29 CG PRO A 5 -5.373 1.081 -2.922 1.00 80.90 C +ATOM 30 CD PRO A 5 -5.680 2.411 -2.284 1.00 83.10 C +HETATM 31 N HYP A 6 -4.723 -1.097 0.537 1.00 85.97 N +HETATM 32 CA HYP A 6 -3.537 -1.729 1.077 1.00 90.05 C +HETATM 33 C HYP A 6 -2.462 -1.895 0.035 1.00 84.79 C +HETATM 34 O HYP A 6 -2.766 -2.052 -1.174 1.00 87.47 O +HETATM 35 CB HYP A 6 -4.077 -3.124 1.518 1.00 82.06 C +HETATM 36 CG HYP A 6 -5.542 -2.912 1.777 1.00 81.44 C +HETATM 37 CD HYP A 6 -5.919 -1.893 0.707 1.00 85.64 C +HETATM 38 OD1 HYP A 6 -5.723 -2.343 3.049 1.00 83.55 O +ATOM 39 N GLY A 7 -1.241 -1.819 0.448 1.00 87.61 N +ATOM 40 CA GLY A 7 -0.131 -1.971 -0.448 1.00 86.36 C +ATOM 41 C GLY A 7 -0.062 -3.389 -0.982 1.00 87.10 C +ATOM 42 O GLY A 7 -0.753 -4.288 -0.498 1.00 86.14 O +ATOM 43 N PRO A 8 0.764 -3.596 -1.980 1.00 87.10 N +ATOM 44 CA PRO A 8 0.886 -4.924 -2.560 1.00 87.26 C +ATOM 45 C PRO A 8 1.612 -5.888 -1.636 1.00 86.61 C +ATOM 46 O PRO A 8 2.380 -5.486 -0.773 1.00 84.26 O +ATOM 47 CB PRO A 8 1.655 -4.683 -3.857 1.00 84.42 C +ATOM 48 CG PRO A 8 2.457 -3.468 -3.570 1.00 83.04 C +ATOM 49 CD PRO A 8 1.587 -2.614 -2.690 1.00 84.76 C +HETATM 50 N HYP A 9 1.357 -7.202 -1.858 1.00 83.08 N +HETATM 51 CA HYP A 9 2.007 -8.195 -1.106 1.00 83.99 C +HETATM 52 C HYP A 9 3.504 -8.235 -1.360 1.00 83.59 C +HETATM 53 O HYP A 9 3.945 -8.063 -2.507 1.00 84.90 O +HETATM 54 CB HYP A 9 1.418 -9.542 -1.658 1.00 80.28 C +HETATM 55 CG HYP A 9 0.122 -9.165 -2.271 1.00 78.80 C +HETATM 56 CD HYP A 9 0.343 -7.768 -2.763 1.00 84.37 C +HETATM 57 OD1 HYP A 9 -0.878 -9.131 -1.276 1.00 79.23 O +ATOM 58 N GLY A 10 4.327 -8.353 -0.387 1.00 85.90 N +ATOM 59 CA GLY A 10 5.754 -8.394 -0.549 1.00 81.75 C +ATOM 60 C GLY A 10 6.251 -9.821 -0.442 1.00 80.76 C +ATOM 61 O GLY A 10 5.505 -10.735 -0.101 1.00 78.88 O +ATOM 62 N CYS A 11 7.528 -10.001 -0.717 1.00 84.76 N +ATOM 63 CA CYS A 11 8.126 -11.330 -0.613 1.00 88.03 C +ATOM 64 C CYS A 11 8.260 -11.752 0.842 1.00 88.87 C +ATOM 65 O CYS A 11 8.237 -12.940 1.151 1.00 86.23 O +ATOM 66 CB CYS A 11 9.508 -11.347 -1.269 1.00 84.88 C +ATOM 67 SG CYS A 11 9.468 -11.019 -3.029 1.00 80.38 S +ATOM 68 N GLU A 12 8.421 -10.767 1.699 1.00 77.67 N +ATOM 69 CA GLU A 12 8.631 -11.049 3.113 1.00 83.00 C +ATOM 70 C GLU A 12 7.644 -10.321 4.013 1.00 83.34 C +ATOM 71 O GLU A 12 7.971 -9.965 5.139 1.00 77.80 O +ATOM 72 CB GLU A 12 10.080 -10.696 3.496 1.00 78.08 C +ATOM 73 CG GLU A 12 10.492 -9.293 3.094 1.00 70.47 C +ATOM 74 CD GLU A 12 11.981 -9.026 3.339 1.00 66.34 C +ATOM 75 OE1 GLU A 12 12.712 -9.962 3.722 1.00 61.59 O +ATOM 76 OE2 GLU A 12 12.415 -7.881 3.150 1.00 65.17 O +ATOM 77 N GLY A 13 6.445 -10.127 3.538 1.00 88.66 N +ATOM 78 CA GLY A 13 5.460 -9.457 4.360 1.00 86.87 C +ATOM 79 C GLY A 13 4.101 -9.353 3.713 1.00 88.01 C +ATOM 80 O GLY A 13 3.950 -9.546 2.510 1.00 87.53 O +ATOM 81 N PRO A 14 3.099 -9.066 4.520 1.00 88.63 N +ATOM 82 CA PRO A 14 1.731 -8.926 4.035 1.00 88.77 C +ATOM 83 C PRO A 14 1.533 -7.601 3.313 1.00 88.82 C +ATOM 84 O PRO A 14 2.455 -6.799 3.201 1.00 85.95 O +ATOM 85 CB PRO A 14 0.906 -8.994 5.318 1.00 86.46 C +ATOM 86 CG PRO A 14 1.795 -8.368 6.333 1.00 85.09 C +ATOM 87 CD PRO A 14 3.177 -8.857 5.974 1.00 86.28 C +HETATM 88 N HYP A 15 0.293 -7.407 2.841 1.00 87.48 N +HETATM 89 CA HYP A 15 -0.015 -6.146 2.217 1.00 90.65 C +HETATM 90 C HYP A 15 0.312 -4.991 3.097 1.00 87.85 C +HETATM 91 O HYP A 15 0.222 -5.116 4.348 1.00 89.02 O +HETATM 92 CB HYP A 15 -1.546 -6.239 2.000 1.00 86.55 C +HETATM 93 CG HYP A 15 -1.813 -7.700 1.884 1.00 82.48 C +HETATM 94 CD HYP A 15 -0.841 -8.312 2.874 1.00 87.54 C +HETATM 95 OD1 HYP A 15 -1.534 -8.126 0.598 1.00 83.83 O +ATOM 96 N GLY A 16 0.709 -3.914 2.512 1.00 89.34 N +ATOM 97 CA GLY A 16 1.025 -2.737 3.267 1.00 88.39 C +ATOM 98 C GLY A 16 -0.243 -2.115 3.827 1.00 89.63 C +ATOM 99 O GLY A 16 -1.351 -2.540 3.494 1.00 89.02 O +ATOM 100 N PRO A 17 -0.070 -1.113 4.673 1.00 88.02 N +ATOM 101 CA PRO A 17 -1.230 -0.450 5.254 1.00 88.26 C +ATOM 102 C PRO A 17 -1.954 0.404 4.235 1.00 88.92 C +ATOM 103 O PRO A 17 -1.425 0.704 3.166 1.00 87.04 O +ATOM 104 CB PRO A 17 -0.615 0.392 6.373 1.00 85.95 C +ATOM 105 CG PRO A 17 0.754 0.681 5.889 1.00 84.22 C +ATOM 106 CD PRO A 17 1.186 -0.566 5.168 1.00 85.62 C +HETATM 107 N HYP A 18 -3.192 0.774 4.558 1.00 85.55 N +HETATM 108 CA HYP A 18 -3.903 1.663 3.711 1.00 89.37 C +HETATM 109 C HYP A 18 -3.184 2.951 3.469 1.00 87.05 C +HETATM 110 O HYP A 18 -2.439 3.432 4.368 1.00 89.34 O +HETATM 111 CB HYP A 18 -5.213 1.888 4.498 1.00 85.06 C +HETATM 112 CG HYP A 18 -5.389 0.630 5.328 1.00 83.16 C +HETATM 113 CD HYP A 18 -3.949 0.306 5.698 1.00 88.83 C +HETATM 114 OD1 HYP A 18 -5.926 -0.399 4.527 1.00 85.42 O +ATOM 115 N GLY A 19 -3.347 3.503 2.323 1.00 86.42 N +ATOM 116 CA GLY A 19 -2.718 4.743 1.983 1.00 86.26 C +ATOM 117 C GLY A 19 -3.291 5.870 2.820 1.00 87.22 C +ATOM 118 O GLY A 19 -4.268 5.687 3.546 1.00 87.24 O +ATOM 119 N PRO A 20 -2.687 7.031 2.719 1.00 81.71 N +ATOM 120 CA PRO A 20 -3.154 8.165 3.498 1.00 82.38 C +ATOM 121 C PRO A 20 -4.486 8.691 3.001 1.00 81.51 C +ATOM 122 O PRO A 20 -4.879 8.460 1.864 1.00 82.00 O +ATOM 123 CB PRO A 20 -2.039 9.195 3.313 1.00 79.87 C +ATOM 124 CG PRO A 20 -1.486 8.869 1.976 1.00 75.43 C +ATOM 125 CD PRO A 20 -1.525 7.364 1.902 1.00 77.49 C +HETATM 126 N HYP A 21 -5.184 9.375 3.867 1.00 84.66 N +HETATM 127 CA HYP A 21 -6.401 10.006 3.487 1.00 83.19 C +HETATM 128 C HYP A 21 -6.235 11.037 2.392 1.00 84.49 C +HETATM 129 O HYP A 21 -5.163 11.664 2.330 1.00 89.68 O +HETATM 130 CB HYP A 21 -6.851 10.739 4.795 1.00 82.26 C +HETATM 131 CG HYP A 21 -6.191 9.960 5.928 1.00 78.44 C +HETATM 132 CD HYP A 21 -4.877 9.517 5.303 1.00 86.18 C +HETATM 133 OD1 HYP A 21 -6.964 8.795 6.202 1.00 81.36 O +ATOM 134 N GLY A 22 -7.142 11.125 1.528 1.00 84.64 N +ATOM 135 CA GLY A 22 -7.070 12.110 0.492 1.00 82.18 C +ATOM 136 C GLY A 22 -7.322 13.482 1.090 1.00 82.20 C +ATOM 137 O GLY A 22 -7.533 13.619 2.294 1.00 81.59 O +ATOM 138 N PRO A 23 -7.325 14.521 0.263 1.00 87.63 N +ATOM 139 CA PRO A 23 -7.567 15.859 0.786 1.00 87.48 C +ATOM 140 C PRO A 23 -8.966 15.982 1.359 1.00 85.94 C +ATOM 141 O PRO A 23 -9.860 15.213 1.025 1.00 81.30 O +ATOM 142 CB PRO A 23 -7.354 16.780 -0.414 1.00 82.94 C +ATOM 143 CG PRO A 23 -7.268 15.909 -1.586 1.00 80.01 C +ATOM 144 CD PRO A 23 -7.053 14.502 -1.157 1.00 82.38 C +HETATM 145 N HYP A 24 -9.180 16.922 2.215 1.00 87.99 N +HETATM 146 CA HYP A 24 -10.512 17.014 2.792 1.00 79.81 C +HETATM 147 C HYP A 24 -11.550 16.519 1.926 1.00 84.06 C +HETATM 148 O HYP A 24 -12.034 17.302 1.102 1.00 77.70 O +HETATM 149 CB HYP A 24 -10.573 18.385 3.384 1.00 81.08 C +HETATM 150 CG HYP A 24 -9.128 18.873 3.519 1.00 81.35 C +HETATM 151 CD HYP A 24 -8.351 18.072 2.472 1.00 86.01 C +HETATM 152 OD1 HYP A 24 -8.603 18.504 4.802 1.00 82.40 O +HETATM 153 OXT HYP A 24 -11.897 15.320 2.101 1.00 76.35 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_348.txt b/protein_pdb_348.txt new file mode 100644 index 0000000000000000000000000000000000000000..bf9a4743f591a51ebe5acae893a927ff3e986324 --- /dev/null +++ b/protein_pdb_348.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 2.350 -15.678 -5.009 1.00 87.90 N +ATOM 2 CA GLY A 1 2.111 -14.593 -5.912 1.00 88.72 C +ATOM 3 C GLY A 1 2.984 -13.382 -5.670 1.00 89.84 C +ATOM 4 O GLY A 1 3.704 -13.318 -4.674 1.00 88.07 O +ATOM 5 N PRO A 2 2.911 -12.466 -6.522 1.00 86.02 N +ATOM 6 CA PRO A 2 3.705 -11.258 -6.414 1.00 87.18 C +ATOM 7 C PRO A 2 3.137 -10.282 -5.393 1.00 86.70 C +ATOM 8 O PRO A 2 2.007 -10.426 -4.944 1.00 83.47 O +ATOM 9 CB PRO A 2 3.638 -10.683 -7.822 1.00 83.92 C +ATOM 10 CG PRO A 2 2.299 -11.113 -8.306 1.00 79.76 C +ATOM 11 CD PRO A 2 2.093 -12.490 -7.729 1.00 81.31 C +HETATM 12 N HYP A 3 3.949 -9.287 -5.057 1.00 86.97 N +HETATM 13 CA HYP A 3 3.480 -8.270 -4.131 1.00 83.56 C +HETATM 14 C HYP A 3 2.296 -7.503 -4.707 1.00 85.48 C +HETATM 15 O HYP A 3 2.178 -7.386 -5.936 1.00 89.63 O +HETATM 16 CB HYP A 3 4.719 -7.313 -4.032 1.00 85.21 C +HETATM 17 CG HYP A 3 5.894 -8.208 -4.351 1.00 83.27 C +HETATM 18 CD HYP A 3 5.314 -9.153 -5.440 1.00 85.93 C +HETATM 19 OD1 HYP A 3 6.203 -8.958 -3.212 1.00 83.55 O +ATOM 20 N GLY A 4 1.425 -7.104 -3.838 1.00 90.02 N +ATOM 21 CA GLY A 4 0.272 -6.347 -4.247 1.00 89.57 C +ATOM 22 C GLY A 4 0.666 -4.961 -4.723 1.00 91.34 C +ATOM 23 O GLY A 4 1.814 -4.543 -4.591 1.00 91.03 O +ATOM 24 N PRO A 5 -0.290 -4.238 -5.279 1.00 88.94 N +ATOM 25 CA PRO A 5 -0.014 -2.896 -5.776 1.00 89.39 C +ATOM 26 C PRO A 5 0.213 -1.914 -4.636 1.00 89.30 C +ATOM 27 O PRO A 5 -0.199 -2.148 -3.505 1.00 87.23 O +ATOM 28 CB PRO A 5 -1.266 -2.546 -6.564 1.00 87.56 C +ATOM 29 CG PRO A 5 -2.340 -3.328 -5.888 1.00 85.22 C +ATOM 30 CD PRO A 5 -1.679 -4.615 -5.474 1.00 87.04 C +HETATM 31 N HYP A 6 0.900 -0.812 -4.959 1.00 87.98 N +HETATM 32 CA HYP A 6 1.043 0.257 -3.992 1.00 90.16 C +HETATM 33 C HYP A 6 -0.288 0.789 -3.547 1.00 88.75 C +HETATM 34 O HYP A 6 -1.284 0.753 -4.313 1.00 90.01 O +HETATM 35 CB HYP A 6 1.808 1.342 -4.814 1.00 82.34 C +HETATM 36 CG HYP A 6 2.549 0.551 -5.855 1.00 83.71 C +HETATM 37 CD HYP A 6 1.567 -0.548 -6.207 1.00 87.70 C +HETATM 38 OD1 HYP A 6 3.695 -0.011 -5.268 1.00 84.49 O +ATOM 39 N GLY A 7 -0.356 1.200 -2.328 1.00 90.72 N +ATOM 40 CA GLY A 7 -1.549 1.785 -1.791 1.00 89.76 C +ATOM 41 C GLY A 7 -1.880 3.090 -2.484 1.00 90.43 C +ATOM 42 O GLY A 7 -1.080 3.628 -3.244 1.00 89.85 O +ATOM 43 N PRO A 8 -3.071 3.595 -2.233 1.00 88.54 N +ATOM 44 CA PRO A 8 -3.487 4.839 -2.868 1.00 87.97 C +ATOM 45 C PRO A 8 -2.746 6.035 -2.287 1.00 88.03 C +ATOM 46 O PRO A 8 -2.257 6.001 -1.165 1.00 85.45 O +ATOM 47 CB PRO A 8 -4.975 4.907 -2.573 1.00 85.70 C +ATOM 48 CG PRO A 8 -5.112 4.171 -1.292 1.00 85.06 C +ATOM 49 CD PRO A 8 -4.101 3.052 -1.363 1.00 86.57 C +HETATM 50 N HYP A 9 -2.690 7.120 -3.069 1.00 85.57 N +HETATM 51 CA HYP A 9 -2.100 8.315 -2.593 1.00 82.59 C +HETATM 52 C HYP A 9 -2.947 8.930 -1.489 1.00 86.15 C +HETATM 53 O HYP A 9 -4.167 8.757 -1.450 1.00 86.48 O +HETATM 54 CB HYP A 9 -2.199 9.275 -3.832 1.00 78.13 C +HETATM 55 CG HYP A 9 -2.367 8.383 -4.991 1.00 79.03 C +HETATM 56 CD HYP A 9 -3.110 7.208 -4.484 1.00 84.13 C +HETATM 57 OD1 HYP A 9 -1.091 7.942 -5.419 1.00 80.24 O +ATOM 58 N GLY A 10 -2.362 9.555 -0.553 1.00 88.04 N +ATOM 59 CA GLY A 10 -3.090 10.319 0.430 1.00 85.08 C +ATOM 60 C GLY A 10 -3.631 11.577 -0.216 1.00 84.98 C +ATOM 61 O GLY A 10 -3.556 11.752 -1.434 1.00 82.29 O +ATOM 62 N CYS A 11 -4.174 12.466 0.599 1.00 81.12 N +ATOM 63 CA CYS A 11 -4.664 13.729 0.055 1.00 86.84 C +ATOM 64 C CYS A 11 -3.591 14.390 -0.798 1.00 87.02 C +ATOM 65 O CYS A 11 -3.876 14.901 -1.878 1.00 84.49 O +ATOM 66 CB CYS A 11 -5.086 14.663 1.180 1.00 84.53 C +ATOM 67 SG CYS A 11 -6.443 14.013 2.154 1.00 77.65 S +ATOM 68 N THR A 12 -2.371 14.373 -0.277 1.00 85.38 N +ATOM 69 CA THR A 12 -1.203 14.874 -0.995 1.00 87.65 C +ATOM 70 C THR A 12 -0.025 13.923 -0.818 1.00 87.44 C +ATOM 71 O THR A 12 1.068 14.191 -1.322 1.00 83.35 O +ATOM 72 CB THR A 12 -0.792 16.279 -0.490 1.00 84.53 C +ATOM 73 OG1 THR A 12 -0.487 16.196 0.898 1.00 80.44 O +ATOM 74 CG2 THR A 12 -1.915 17.288 -0.691 1.00 77.43 C +ATOM 75 N GLY A 13 -0.231 12.854 -0.096 1.00 91.29 N +ATOM 76 CA GLY A 13 0.843 11.953 0.270 1.00 90.11 C +ATOM 77 C GLY A 13 1.196 10.934 -0.787 1.00 91.13 C +ATOM 78 O GLY A 13 0.509 10.794 -1.799 1.00 90.93 O +ATOM 79 N PRO A 14 2.278 10.209 -0.549 1.00 90.32 N +ATOM 80 CA PRO A 14 2.745 9.206 -1.487 1.00 89.95 C +ATOM 81 C PRO A 14 1.886 7.949 -1.440 1.00 90.14 C +ATOM 82 O PRO A 14 1.117 7.736 -0.511 1.00 88.04 O +ATOM 83 CB PRO A 14 4.163 8.910 -1.008 1.00 88.10 C +ATOM 84 CG PRO A 14 4.081 9.115 0.465 1.00 86.93 C +ATOM 85 CD PRO A 14 3.140 10.291 0.634 1.00 87.78 C +HETATM 86 N HYP A 15 2.080 7.146 -2.448 1.00 90.47 N +HETATM 87 CA HYP A 15 1.415 5.863 -2.450 1.00 90.38 C +HETATM 88 C HYP A 15 1.891 5.005 -1.315 1.00 91.87 C +HETATM 89 O HYP A 15 3.022 5.165 -0.815 1.00 90.84 O +HETATM 90 CB HYP A 15 1.942 5.274 -3.797 1.00 87.54 C +HETATM 91 CG HYP A 15 2.278 6.477 -4.651 1.00 86.76 C +HETATM 92 CD HYP A 15 2.839 7.443 -3.657 1.00 89.46 C +HETATM 93 OD1 HYP A 15 1.114 6.992 -5.228 1.00 87.27 O +ATOM 94 N GLY A 16 1.032 4.173 -0.860 1.00 92.71 N +ATOM 95 CA GLY A 16 1.407 3.241 0.165 1.00 92.16 C +ATOM 96 C GLY A 16 2.356 2.193 -0.377 1.00 92.82 C +ATOM 97 O GLY A 16 2.601 2.121 -1.582 1.00 92.68 O +ATOM 98 N PRO A 17 2.887 1.378 0.522 1.00 87.50 N +ATOM 99 CA PRO A 17 3.811 0.335 0.101 1.00 86.78 C +ATOM 100 C PRO A 17 3.090 -0.779 -0.649 1.00 87.53 C +ATOM 101 O PRO A 17 1.875 -0.920 -0.553 1.00 85.72 O +ATOM 102 CB PRO A 17 4.404 -0.162 1.414 1.00 85.25 C +ATOM 103 CG PRO A 17 3.330 0.100 2.406 1.00 83.77 C +ATOM 104 CD PRO A 17 2.676 1.378 1.962 1.00 84.13 C +HETATM 105 N HYP A 18 3.877 -1.560 -1.406 1.00 85.96 N +HETATM 106 CA HYP A 18 3.299 -2.709 -2.029 1.00 85.69 C +HETATM 107 C HYP A 18 2.710 -3.660 -1.048 1.00 86.86 C +HETATM 108 O HYP A 18 3.184 -3.754 0.103 1.00 88.00 O +HETATM 109 CB HYP A 18 4.551 -3.356 -2.705 1.00 83.70 C +HETATM 110 CG HYP A 18 5.483 -2.207 -2.962 1.00 82.85 C +HETATM 111 CD HYP A 18 5.267 -1.341 -1.734 1.00 87.53 C +HETATM 112 OD1 HYP A 18 5.062 -1.512 -4.115 1.00 84.36 O +ATOM 113 N GLY A 19 1.666 -4.306 -1.437 1.00 84.81 N +ATOM 114 CA GLY A 19 1.037 -5.290 -0.604 1.00 83.87 C +ATOM 115 C GLY A 19 1.934 -6.495 -0.407 1.00 84.23 C +ATOM 116 O GLY A 19 2.983 -6.617 -1.038 1.00 84.47 O +ATOM 117 N PRO A 20 1.517 -7.392 0.468 1.00 76.21 N +ATOM 118 CA PRO A 20 2.305 -8.583 0.722 1.00 77.08 C +ATOM 119 C PRO A 20 2.265 -9.533 -0.462 1.00 76.23 C +ATOM 120 O PRO A 20 1.389 -9.436 -1.316 1.00 76.52 O +ATOM 121 CB PRO A 20 1.634 -9.189 1.946 1.00 75.04 C +ATOM 122 CG PRO A 20 0.220 -8.743 1.826 1.00 71.70 C +ATOM 123 CD PRO A 20 0.289 -7.358 1.244 1.00 71.47 C +HETATM 124 N HYP A 21 3.247 -10.428 -0.481 1.00 84.08 N +HETATM 125 CA HYP A 21 3.225 -11.442 -1.502 1.00 83.95 C +HETATM 126 C HYP A 21 1.946 -12.248 -1.485 1.00 84.69 C +HETATM 127 O HYP A 21 1.389 -12.465 -0.419 1.00 88.99 O +HETATM 128 CB HYP A 21 4.433 -12.307 -1.185 1.00 82.34 C +HETATM 129 CG HYP A 21 5.367 -11.405 -0.432 1.00 78.38 C +HETATM 130 CD HYP A 21 4.434 -10.533 0.378 1.00 85.74 C +HETATM 131 OD1 HYP A 21 6.070 -10.581 -1.367 1.00 79.86 O +ATOM 132 N GLY A 22 1.453 -12.557 -2.644 1.00 84.24 N +ATOM 133 CA GLY A 22 0.270 -13.355 -2.759 1.00 81.76 C +ATOM 134 C GLY A 22 0.541 -14.773 -2.292 1.00 81.84 C +ATOM 135 O GLY A 22 1.683 -15.145 -2.040 1.00 81.21 O +ATOM 136 N PRO A 23 -0.512 -15.587 -2.187 1.00 87.24 N +ATOM 137 CA PRO A 23 -0.318 -16.970 -1.778 1.00 87.56 C +ATOM 138 C PRO A 23 0.370 -17.746 -2.886 1.00 86.04 C +ATOM 139 O PRO A 23 -0.199 -17.947 -3.955 1.00 82.61 O +ATOM 140 CB PRO A 23 -1.736 -17.457 -1.510 1.00 83.96 C +ATOM 141 CG PRO A 23 -2.599 -16.572 -2.319 1.00 80.33 C +ATOM 142 CD PRO A 23 -1.894 -15.246 -2.422 1.00 83.06 C +HETATM 143 N HYP A 24 1.556 -18.004 -2.795 1.00 91.16 N +HETATM 144 CA HYP A 24 2.534 -18.345 -3.927 1.00 87.73 C +HETATM 145 C HYP A 24 2.913 -17.421 -4.829 1.00 90.76 C +HETATM 146 O HYP A 24 2.794 -17.617 -6.119 1.00 89.89 O +HETATM 147 CB HYP A 24 3.480 -19.255 -3.181 1.00 86.07 C +HETATM 148 CG HYP A 24 2.630 -19.930 -2.085 1.00 84.93 C +HETATM 149 CD HYP A 24 1.519 -18.918 -1.763 1.00 89.95 C +HETATM 150 OD1 HYP A 24 3.377 -20.185 -0.915 1.00 86.05 O +HETATM 151 OXT HYP A 24 4.021 -16.618 -4.615 1.00 85.16 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_349.txt b/protein_pdb_349.txt new file mode 100644 index 0000000000000000000000000000000000000000..30994d1d39ad0ab1728c4f2f3f3194811dd401e1 --- /dev/null +++ b/protein_pdb_349.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 15.217 1.469 1.190 1.00 82.24 N +ATOM 2 CA GLY A 1 14.499 0.310 1.706 1.00 85.54 C +ATOM 3 C GLY A 1 13.481 -0.184 0.711 1.00 87.52 C +ATOM 4 O GLY A 1 13.318 0.397 -0.361 1.00 84.07 O +ATOM 5 N PRO A 2 12.761 -1.234 1.059 1.00 85.33 N +ATOM 6 CA PRO A 2 11.756 -1.787 0.159 1.00 87.89 C +ATOM 7 C PRO A 2 10.547 -0.879 0.040 1.00 88.51 C +ATOM 8 O PRO A 2 10.336 0.010 0.855 1.00 86.51 O +ATOM 9 CB PRO A 2 11.389 -3.114 0.814 1.00 84.38 C +ATOM 10 CG PRO A 2 11.664 -2.891 2.253 1.00 80.54 C +ATOM 11 CD PRO A 2 12.857 -1.988 2.306 1.00 82.24 C +HETATM 12 N HYP A 3 9.819 -1.115 -0.985 1.00 88.05 N +HETATM 13 CA HYP A 3 8.548 -0.399 -1.169 1.00 86.75 C +HETATM 14 C HYP A 3 7.656 -0.569 0.037 1.00 88.89 C +HETATM 15 O HYP A 3 7.680 -1.645 0.681 1.00 90.21 O +HETATM 16 CB HYP A 3 7.930 -1.100 -2.412 1.00 86.80 C +HETATM 17 CG HYP A 3 9.105 -1.681 -3.175 1.00 83.35 C +HETATM 18 CD HYP A 3 10.049 -2.127 -2.019 1.00 85.51 C +HETATM 19 OD1 HYP A 3 9.726 -0.655 -3.899 1.00 86.87 O +ATOM 20 N GLY A 4 6.918 0.462 0.356 1.00 90.50 N +ATOM 21 CA GLY A 4 5.999 0.398 1.459 1.00 90.48 C +ATOM 22 C GLY A 4 4.847 -0.540 1.152 1.00 91.51 C +ATOM 23 O GLY A 4 4.675 -1.001 0.023 1.00 91.70 O +ATOM 24 N PRO A 5 4.044 -0.828 2.170 1.00 91.00 N +ATOM 25 CA PRO A 5 2.901 -1.715 1.974 1.00 91.66 C +ATOM 26 C PRO A 5 1.808 -1.029 1.169 1.00 91.74 C +ATOM 27 O PRO A 5 1.778 0.189 1.051 1.00 90.12 O +ATOM 28 CB PRO A 5 2.445 -2.008 3.397 1.00 89.70 C +ATOM 29 CG PRO A 5 2.844 -0.790 4.156 1.00 87.56 C +ATOM 30 CD PRO A 5 4.136 -0.345 3.543 1.00 90.33 C +HETATM 31 N HYP A 6 0.932 -1.828 0.593 1.00 90.86 N +HETATM 32 CA HYP A 6 -0.233 -1.303 -0.070 1.00 93.36 C +HETATM 33 C HYP A 6 -1.056 -0.442 0.842 1.00 91.89 C +HETATM 34 O HYP A 6 -1.099 -0.686 2.070 1.00 90.25 O +HETATM 35 CB HYP A 6 -1.014 -2.593 -0.451 1.00 87.43 C +HETATM 36 CG HYP A 6 0.047 -3.663 -0.589 1.00 87.24 C +HETATM 37 CD HYP A 6 1.007 -3.285 0.533 1.00 90.42 C +HETATM 38 OD1 HYP A 6 0.694 -3.544 -1.828 1.00 88.10 O +ATOM 39 N GLY A 7 -1.662 0.556 0.296 1.00 92.00 N +ATOM 40 CA GLY A 7 -2.509 1.434 1.052 1.00 90.86 C +ATOM 41 C GLY A 7 -3.740 0.711 1.566 1.00 91.82 C +ATOM 42 O GLY A 7 -4.016 -0.428 1.188 1.00 91.61 O +ATOM 43 N PRO A 8 -4.483 1.380 2.429 1.00 93.10 N +ATOM 44 CA PRO A 8 -5.679 0.757 2.990 1.00 92.96 C +ATOM 45 C PRO A 8 -6.743 0.509 1.935 1.00 93.13 C +ATOM 46 O PRO A 8 -6.824 1.214 0.940 1.00 91.16 O +ATOM 47 CB PRO A 8 -6.181 1.778 4.014 1.00 90.74 C +ATOM 48 CG PRO A 8 -5.079 2.735 4.204 1.00 89.66 C +ATOM 49 CD PRO A 8 -4.253 2.719 2.959 1.00 91.86 C +HETATM 50 N HYP A 9 -7.576 -0.495 2.179 1.00 88.95 N +HETATM 51 CA HYP A 9 -8.673 -0.775 1.319 1.00 90.09 C +HETATM 52 C HYP A 9 -9.713 0.317 1.408 1.00 90.75 C +HETATM 53 O HYP A 9 -9.928 0.892 2.495 1.00 89.57 O +HETATM 54 CB HYP A 9 -9.305 -2.072 1.948 1.00 85.05 C +HETATM 55 CG HYP A 9 -8.223 -2.685 2.772 1.00 84.25 C +HETATM 56 CD HYP A 9 -7.436 -1.528 3.266 1.00 88.14 C +HETATM 57 OD1 HYP A 9 -7.386 -3.462 1.941 1.00 84.87 O +ATOM 58 N GLY A 10 -10.343 0.702 0.352 1.00 90.90 N +ATOM 59 CA GLY A 10 -11.471 1.609 0.402 1.00 88.33 C +ATOM 60 C GLY A 10 -12.731 0.835 0.741 1.00 88.95 C +ATOM 61 O GLY A 10 -12.701 -0.366 1.012 1.00 87.60 O +ATOM 62 N ASP A 11 -13.864 1.536 0.723 1.00 89.91 N +ATOM 63 CA ASP A 11 -15.130 0.860 0.987 1.00 91.38 C +ATOM 64 C ASP A 11 -15.342 -0.252 -0.038 1.00 91.66 C +ATOM 65 O ASP A 11 -15.667 -1.388 0.315 1.00 89.25 O +ATOM 66 CB ASP A 11 -16.268 1.882 0.927 1.00 89.65 C +ATOM 67 CG ASP A 11 -17.590 1.322 1.430 1.00 84.28 C +ATOM 68 OD1 ASP A 11 -17.661 0.147 1.795 1.00 82.39 O +ATOM 69 OD2 ASP A 11 -18.570 2.106 1.460 1.00 80.49 O +ATOM 70 N HIS A 12 -15.107 0.073 -1.297 1.00 91.90 N +ATOM 71 CA HIS A 12 -15.173 -0.909 -2.371 1.00 93.31 C +ATOM 72 C HIS A 12 -13.908 -0.910 -3.216 1.00 92.87 C +ATOM 73 O HIS A 12 -13.792 -1.697 -4.161 1.00 89.84 O +ATOM 74 CB HIS A 12 -16.377 -0.635 -3.276 1.00 91.45 C +ATOM 75 CG HIS A 12 -17.703 -0.810 -2.578 1.00 88.99 C +ATOM 76 ND1 HIS A 12 -18.233 -2.042 -2.286 1.00 84.73 N +ATOM 77 CD2 HIS A 12 -18.589 0.101 -2.130 1.00 79.80 C +ATOM 78 CE1 HIS A 12 -19.393 -1.875 -1.663 1.00 81.61 C +ATOM 79 NE2 HIS A 12 -19.631 -0.584 -1.560 1.00 82.82 N +ATOM 80 N GLY A 13 -12.991 -0.048 -2.914 1.00 93.30 N +ATOM 81 CA GLY A 13 -11.791 0.073 -3.703 1.00 92.24 C +ATOM 82 C GLY A 13 -10.720 -0.912 -3.306 1.00 92.94 C +ATOM 83 O GLY A 13 -10.726 -1.452 -2.195 1.00 92.45 O +ATOM 84 N PRO A 14 -9.795 -1.158 -4.202 1.00 92.12 N +ATOM 85 CA PRO A 14 -8.686 -2.046 -3.899 1.00 91.85 C +ATOM 86 C PRO A 14 -7.698 -1.355 -2.976 1.00 92.42 C +ATOM 87 O PRO A 14 -7.763 -0.151 -2.759 1.00 90.97 O +ATOM 88 CB PRO A 14 -8.064 -2.313 -5.271 1.00 90.04 C +ATOM 89 CG PRO A 14 -8.336 -1.065 -6.026 1.00 88.82 C +ATOM 90 CD PRO A 14 -9.688 -0.598 -5.556 1.00 89.55 C +HETATM 91 N HYP A 15 -6.799 -2.154 -2.492 1.00 91.85 N +HETATM 92 CA HYP A 15 -5.740 -1.581 -1.711 1.00 92.65 C +HETATM 93 C HYP A 15 -4.963 -0.593 -2.538 1.00 92.37 C +HETATM 94 O HYP A 15 -4.878 -0.749 -3.773 1.00 91.87 O +HETATM 95 CB HYP A 15 -4.890 -2.847 -1.401 1.00 86.52 C +HETATM 96 CG HYP A 15 -5.861 -4.019 -1.491 1.00 83.60 C +HETATM 97 CD HYP A 15 -6.746 -3.609 -2.633 1.00 89.55 C +HETATM 98 OD1 HYP A 15 -6.622 -4.117 -0.322 1.00 87.40 O +ATOM 99 N GLY A 16 -4.466 0.431 -1.909 1.00 93.52 N +ATOM 100 CA GLY A 16 -3.667 1.404 -2.603 1.00 93.25 C +ATOM 101 C GLY A 16 -2.366 0.790 -3.083 1.00 93.94 C +ATOM 102 O GLY A 16 -2.034 -0.346 -2.731 1.00 93.36 O +ATOM 103 N PRO A 17 -1.640 1.533 -3.897 1.00 91.53 N +ATOM 104 CA PRO A 17 -0.371 1.026 -4.396 1.00 91.68 C +ATOM 105 C PRO A 17 0.668 0.953 -3.289 1.00 92.33 C +ATOM 106 O PRO A 17 0.524 1.572 -2.245 1.00 90.82 O +ATOM 107 CB PRO A 17 0.019 2.043 -5.464 1.00 89.75 C +ATOM 108 CG PRO A 17 -0.632 3.300 -5.007 1.00 88.60 C +ATOM 109 CD PRO A 17 -1.927 2.880 -4.381 1.00 90.37 C +HETATM 110 N HYP A 18 1.697 0.175 -3.533 1.00 89.88 N +HETATM 111 CA HYP A 18 2.793 0.134 -2.634 1.00 90.59 C +HETATM 112 C HYP A 18 3.380 1.494 -2.405 1.00 89.89 C +HETATM 113 O HYP A 18 3.382 2.339 -3.329 1.00 89.74 O +HETATM 114 CB HYP A 18 3.816 -0.768 -3.349 1.00 86.17 C +HETATM 115 CG HYP A 18 2.972 -1.660 -4.243 1.00 85.76 C +HETATM 116 CD HYP A 18 1.872 -0.711 -4.674 1.00 90.36 C +HETATM 117 OD1 HYP A 18 2.430 -2.711 -3.471 1.00 86.64 O +ATOM 118 N GLY A 19 3.805 1.757 -1.207 1.00 89.53 N +ATOM 119 CA GLY A 19 4.432 3.006 -0.890 1.00 89.19 C +ATOM 120 C GLY A 19 5.762 3.143 -1.599 1.00 89.90 C +ATOM 121 O GLY A 19 6.264 2.197 -2.209 1.00 90.44 O +ATOM 122 N PRO A 20 6.347 4.327 -1.517 1.00 82.82 N +ATOM 123 CA PRO A 20 7.630 4.551 -2.163 1.00 83.49 C +ATOM 124 C PRO A 20 8.738 3.781 -1.455 1.00 83.60 C +ATOM 125 O PRO A 20 8.597 3.367 -0.311 1.00 84.39 O +ATOM 126 CB PRO A 20 7.823 6.052 -2.029 1.00 80.79 C +ATOM 127 CG PRO A 20 7.063 6.409 -0.811 1.00 77.68 C +ATOM 128 CD PRO A 20 5.869 5.511 -0.804 1.00 80.56 C +HETATM 129 N HYP A 21 9.824 3.612 -2.162 1.00 87.65 N +HETATM 130 CA HYP A 21 10.965 2.998 -1.576 1.00 86.29 C +HETATM 131 C HYP A 21 11.468 3.757 -0.362 1.00 86.58 C +HETATM 132 O HYP A 21 11.287 4.983 -0.301 1.00 90.99 O +HETATM 133 CB HYP A 21 12.009 2.989 -2.684 1.00 84.89 C +HETATM 134 CG HYP A 21 11.199 3.003 -3.965 1.00 80.41 C +HETATM 135 CD HYP A 21 10.026 3.878 -3.599 1.00 87.17 C +HETATM 136 OD1 HYP A 21 10.719 1.684 -4.230 1.00 83.07 O +ATOM 137 N GLY A 22 11.962 3.067 0.591 1.00 85.64 N +ATOM 138 CA GLY A 22 12.508 3.700 1.757 1.00 83.66 C +ATOM 139 C GLY A 22 13.744 4.499 1.405 1.00 83.70 C +ATOM 140 O GLY A 22 14.173 4.545 0.254 1.00 84.18 O +ATOM 141 N PRO A 23 14.355 5.137 2.401 1.00 87.94 N +ATOM 142 CA PRO A 23 15.549 5.927 2.144 1.00 88.17 C +ATOM 143 C PRO A 23 16.690 5.054 1.660 1.00 87.10 C +ATOM 144 O PRO A 23 16.713 3.844 1.889 1.00 82.77 O +ATOM 145 CB PRO A 23 15.851 6.569 3.489 1.00 83.75 C +ATOM 146 CG PRO A 23 15.220 5.667 4.477 1.00 81.93 C +ATOM 147 CD PRO A 23 13.998 5.117 3.809 1.00 84.84 C +HETATM 148 N HYP A 24 17.625 5.587 1.059 1.00 89.65 N +HETATM 149 CA HYP A 24 18.708 4.804 0.490 1.00 78.14 C +HETATM 150 C HYP A 24 19.161 3.722 1.363 1.00 86.67 C +HETATM 151 O HYP A 24 19.850 3.996 2.363 1.00 78.66 O +HETATM 152 CB HYP A 24 19.777 5.810 0.123 1.00 81.66 C +HETATM 153 CG HYP A 24 19.135 7.180 0.240 1.00 81.30 C +HETATM 154 CD HYP A 24 17.932 6.983 1.158 1.00 86.06 C +HETATM 155 OD1 HYP A 24 18.632 7.566 -1.033 1.00 82.96 O +HETATM 156 OXT HYP A 24 18.847 2.566 0.999 1.00 80.39 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_35.txt b/protein_pdb_35.txt new file mode 100644 index 0000000000000000000000000000000000000000..61b0b2368a81d519eb80494054adfb6a324aed58 --- /dev/null +++ b/protein_pdb_35.txt @@ -0,0 +1,149 @@ +ATOM 1 N GLY A 1 25.448 -10.215 22.172 1.00 83.60 N +ATOM 2 CA GLY A 1 24.721 -11.027 21.206 1.00 86.31 C +ATOM 3 C GLY A 1 24.587 -10.315 19.875 1.00 87.31 C +ATOM 4 O GLY A 1 24.934 -9.140 19.760 1.00 83.57 O +ATOM 5 N PRO A 2 24.079 -10.990 18.873 1.00 85.53 N +ATOM 6 CA PRO A 2 23.911 -10.371 17.560 1.00 87.65 C +ATOM 7 C PRO A 2 22.807 -9.330 17.585 1.00 88.41 C +ATOM 8 O PRO A 2 21.927 -9.352 18.440 1.00 84.96 O +ATOM 9 CB PRO A 2 23.559 -11.549 16.655 1.00 83.52 C +ATOM 10 CG PRO A 2 22.870 -12.495 17.572 1.00 81.22 C +ATOM 11 CD PRO A 2 23.628 -12.380 18.880 1.00 81.61 C +HETATM 12 N HYP A 3 22.914 -8.432 16.695 1.00 91.18 N +HETATM 13 CA HYP A 3 21.843 -7.445 16.505 1.00 91.57 C +HETATM 14 C HYP A 3 20.539 -8.129 16.263 1.00 91.09 C +HETATM 15 O HYP A 3 20.501 -9.220 15.661 1.00 89.63 O +HETATM 16 CB HYP A 3 22.321 -6.660 15.301 1.00 90.04 C +HETATM 17 CG HYP A 3 23.804 -6.816 15.276 1.00 87.40 C +HETATM 18 CD HYP A 3 24.009 -8.251 15.758 1.00 90.58 C +HETATM 19 OD1 HYP A 3 24.420 -5.928 16.151 1.00 89.86 O +ATOM 20 N GLY A 4 19.473 -7.495 16.741 1.00 94.42 N +ATOM 21 CA GLY A 4 18.157 -8.040 16.542 1.00 93.49 C +ATOM 22 C GLY A 4 17.769 -7.974 15.070 1.00 93.70 C +ATOM 23 O GLY A 4 18.448 -7.319 14.267 1.00 92.84 O +ATOM 24 N PRO A 5 16.686 -8.644 14.718 1.00 93.10 N +ATOM 25 CA PRO A 5 16.247 -8.628 13.320 1.00 92.99 C +ATOM 26 C PRO A 5 15.704 -7.260 12.932 1.00 93.20 C +ATOM 27 O PRO A 5 15.279 -6.483 13.778 1.00 91.73 O +ATOM 28 CB PRO A 5 15.165 -9.706 13.280 1.00 90.88 C +ATOM 29 CG PRO A 5 14.613 -9.685 14.663 1.00 89.72 C +ATOM 30 CD PRO A 5 15.812 -9.449 15.557 1.00 91.16 C +HETATM 31 N HYP A 6 15.731 -6.986 11.652 1.00 94.58 N +HETATM 32 CA HYP A 6 15.114 -5.760 11.150 1.00 94.76 C +HETATM 33 C HYP A 6 13.645 -5.730 11.483 1.00 94.88 C +HETATM 34 O HYP A 6 13.009 -6.781 11.554 1.00 92.69 O +HETATM 35 CB HYP A 6 15.329 -5.890 9.602 1.00 92.80 C +HETATM 36 CG HYP A 6 16.539 -6.777 9.462 1.00 89.93 C +HETATM 37 CD HYP A 6 16.381 -7.751 10.608 1.00 93.35 C +HETATM 38 OD1 HYP A 6 17.715 -6.029 9.607 1.00 89.39 O +ATOM 39 N GLY A 7 13.121 -4.534 11.699 1.00 95.73 N +ATOM 40 CA GLY A 7 11.727 -4.384 12.017 1.00 95.26 C +ATOM 41 C GLY A 7 10.870 -4.817 10.844 1.00 95.62 C +ATOM 42 O GLY A 7 11.359 -5.020 9.736 1.00 95.14 O +ATOM 43 N PRO A 8 9.577 -4.950 11.095 1.00 94.52 N +ATOM 44 CA PRO A 8 8.669 -5.354 10.024 1.00 94.49 C +ATOM 45 C PRO A 8 8.501 -4.241 8.998 1.00 94.91 C +ATOM 46 O PRO A 8 8.716 -3.071 9.290 1.00 93.90 O +ATOM 47 CB PRO A 8 7.368 -5.654 10.757 1.00 92.94 C +ATOM 48 CG PRO A 8 7.427 -4.739 11.938 1.00 91.83 C +ATOM 49 CD PRO A 8 8.879 -4.753 12.354 1.00 93.30 C +HETATM 50 N HYP A 9 8.111 -4.577 7.819 1.00 96.09 N +HETATM 51 CA HYP A 9 7.785 -3.618 6.786 1.00 95.45 C +HETATM 52 C HYP A 9 6.665 -2.744 7.228 1.00 96.47 C +HETATM 53 O HYP A 9 5.802 -3.166 7.973 1.00 94.98 O +HETATM 54 CB HYP A 9 7.285 -4.522 5.615 1.00 93.77 C +HETATM 55 CG HYP A 9 8.004 -5.813 5.833 1.00 92.05 C +HETATM 56 CD HYP A 9 8.027 -5.915 7.338 1.00 94.31 C +HETATM 57 OD1 HYP A 9 9.317 -5.748 5.340 1.00 91.50 O +ATOM 58 N GLY A 10 6.678 -1.526 6.774 1.00 96.22 N +ATOM 59 CA GLY A 10 5.625 -0.602 7.131 1.00 95.65 C +ATOM 60 C GLY A 10 4.304 -1.064 6.544 1.00 95.94 C +ATOM 61 O GLY A 10 4.251 -1.978 5.719 1.00 95.62 O +ATOM 62 N PRO A 11 3.218 -0.407 6.954 1.00 95.27 N +ATOM 63 CA PRO A 11 1.906 -0.788 6.425 1.00 94.80 C +ATOM 64 C PRO A 11 1.785 -0.443 4.947 1.00 94.89 C +ATOM 65 O PRO A 11 2.440 0.468 4.442 1.00 92.83 O +ATOM 66 CB PRO A 11 0.935 0.027 7.274 1.00 93.34 C +ATOM 67 CG PRO A 11 1.731 1.232 7.650 1.00 92.44 C +ATOM 68 CD PRO A 11 3.128 0.704 7.899 1.00 94.30 C +ATOM 69 N ALA A 12 0.934 -1.188 4.274 1.00 94.36 N +ATOM 70 CA ALA A 12 0.696 -0.918 2.866 1.00 93.93 C +ATOM 71 C ALA A 12 0.053 0.454 2.722 1.00 94.55 C +ATOM 72 O ALA A 12 -0.625 0.936 3.625 1.00 92.22 O +ATOM 73 CB ALA A 12 -0.220 -1.989 2.270 1.00 91.60 C +ATOM 74 N GLY A 13 0.301 1.076 1.592 1.00 95.47 N +ATOM 75 CA GLY A 13 -0.290 2.372 1.335 1.00 94.98 C +ATOM 76 C GLY A 13 -1.784 2.262 1.122 1.00 95.44 C +ATOM 77 O GLY A 13 -2.334 1.160 1.049 1.00 95.17 O +ATOM 78 N PRO A 14 -2.458 3.397 1.023 1.00 93.73 N +ATOM 79 CA PRO A 14 -3.901 3.377 0.819 1.00 93.59 C +ATOM 80 C PRO A 14 -4.250 2.877 -0.573 1.00 93.51 C +ATOM 81 O PRO A 14 -3.431 2.911 -1.482 1.00 92.18 O +ATOM 82 CB PRO A 14 -4.305 4.842 1.006 1.00 92.44 C +ATOM 83 CG PRO A 14 -3.083 5.587 0.590 1.00 91.95 C +ATOM 84 CD PRO A 14 -1.936 4.757 1.108 1.00 93.02 C +HETATM 85 N HYP A 15 -5.466 2.431 -0.739 1.00 93.18 N +HETATM 86 CA HYP A 15 -5.939 2.027 -2.037 1.00 94.18 C +HETATM 87 C HYP A 15 -5.880 3.144 -3.027 1.00 94.68 C +HETATM 88 O HYP A 15 -6.030 4.308 -2.649 1.00 86.93 O +HETATM 89 CB HYP A 15 -7.376 1.637 -1.742 1.00 91.86 C +HETATM 90 CG HYP A 15 -7.381 1.256 -0.286 1.00 90.73 C +HETATM 91 CD HYP A 15 -6.404 2.221 0.299 1.00 93.13 C +HETATM 92 OD1 HYP A 15 -6.922 -0.059 -0.107 1.00 92.16 O +ATOM 93 N GLY A 16 -5.626 2.831 -4.252 1.00 93.62 N +ATOM 94 CA GLY A 16 -5.593 3.837 -5.281 1.00 91.95 C +ATOM 95 C GLY A 16 -6.993 4.405 -5.494 1.00 92.34 C +ATOM 96 O GLY A 16 -7.977 3.896 -4.963 1.00 92.62 O +ATOM 97 N PRO A 17 -7.081 5.454 -6.296 1.00 89.65 N +ATOM 98 CA PRO A 17 -8.387 6.062 -6.545 1.00 89.04 C +ATOM 99 C PRO A 17 -9.283 5.145 -7.375 1.00 88.15 C +ATOM 100 O PRO A 17 -8.807 4.293 -8.126 1.00 85.17 O +ATOM 101 CB PRO A 17 -8.046 7.345 -7.308 1.00 86.63 C +ATOM 102 CG PRO A 17 -6.775 6.999 -8.003 1.00 86.28 C +ATOM 103 CD PRO A 17 -6.016 6.148 -7.015 1.00 88.22 C +ATOM 104 N ALA A 18 -10.567 5.320 -7.215 1.00 87.89 N +ATOM 105 CA ALA A 18 -11.516 4.546 -7.987 1.00 86.91 C +ATOM 106 C ALA A 18 -11.382 4.902 -9.457 1.00 86.89 C +ATOM 107 O ALA A 18 -10.988 6.009 -9.809 1.00 82.87 O +ATOM 108 CB ALA A 18 -12.940 4.825 -7.514 1.00 83.77 C +ATOM 109 N GLY A 19 -11.711 3.946 -10.298 1.00 89.89 N +ATOM 110 CA GLY A 19 -11.651 4.192 -11.722 1.00 89.26 C +ATOM 111 C GLY A 19 -12.758 5.128 -12.153 1.00 89.94 C +ATOM 112 O GLY A 19 -13.651 5.454 -11.369 1.00 89.71 O +ATOM 113 N PRO A 20 -12.725 5.563 -13.396 1.00 88.90 N +ATOM 114 CA PRO A 20 -13.743 6.483 -13.892 1.00 88.59 C +ATOM 115 C PRO A 20 -15.073 5.773 -14.088 1.00 88.73 C +ATOM 116 O PRO A 20 -15.135 4.554 -14.193 1.00 86.59 O +ATOM 117 CB PRO A 20 -13.162 6.965 -15.221 1.00 85.94 C +ATOM 118 CG PRO A 20 -12.332 5.811 -15.674 1.00 85.24 C +ATOM 119 CD PRO A 20 -11.710 5.270 -14.412 1.00 87.16 C +HETATM 120 N HYP A 21 -16.146 6.531 -14.160 1.00 91.68 N +HETATM 121 CA HYP A 21 -17.430 6.000 -14.437 1.00 91.75 C +HETATM 122 C HYP A 21 -17.467 5.302 -15.758 1.00 92.75 C +HETATM 123 O HYP A 21 -16.732 5.686 -16.678 1.00 89.06 O +HETATM 124 CB HYP A 21 -18.321 7.238 -14.475 1.00 90.73 C +HETATM 125 CG HYP A 21 -17.623 8.242 -13.616 1.00 89.56 C +HETATM 126 CD HYP A 21 -16.181 7.963 -13.871 1.00 90.64 C +HETATM 127 OD1 HYP A 21 -17.895 8.028 -12.238 1.00 88.52 O +ATOM 128 N GLY A 22 -18.259 4.240 -15.866 1.00 88.43 N +ATOM 129 CA GLY A 22 -18.399 3.531 -17.105 1.00 87.35 C +ATOM 130 C GLY A 22 -19.074 4.417 -18.142 1.00 87.81 C +ATOM 131 O GLY A 22 -19.574 5.499 -17.826 1.00 86.50 O +ATOM 132 N PRO A 23 -19.133 3.953 -19.399 1.00 86.24 N +ATOM 133 CA PRO A 23 -19.742 4.755 -20.455 1.00 86.67 C +ATOM 134 C PRO A 23 -21.242 4.855 -20.277 1.00 86.20 C +ATOM 135 O PRO A 23 -21.882 3.967 -19.718 1.00 81.98 O +ATOM 136 CB PRO A 23 -19.368 3.998 -21.727 1.00 82.50 C +ATOM 137 CG PRO A 23 -19.261 2.588 -21.262 1.00 79.03 C +ATOM 138 CD PRO A 23 -18.629 2.681 -19.896 1.00 81.05 C +HETATM 139 N HYP A 24 -21.823 5.906 -20.794 1.00 84.89 N +HETATM 140 CA HYP A 24 -23.275 6.011 -20.717 1.00 84.80 C +HETATM 141 C HYP A 24 -23.851 4.934 -21.602 1.00 82.68 C +HETATM 142 O HYP A 24 -23.488 4.868 -22.795 1.00 83.10 O +HETATM 143 CB HYP A 24 -23.622 7.380 -21.356 1.00 86.64 C +HETATM 144 CG HYP A 24 -22.349 8.181 -21.342 1.00 82.99 C +HETATM 145 CD HYP A 24 -21.215 7.113 -21.363 1.00 83.85 C +HETATM 146 OD1 HYP A 24 -22.271 8.869 -20.104 1.00 81.72 O +HETATM 147 OXT HYP A 24 -24.583 4.140 -21.003 1.00 79.14 O +TER 148 HYP A 24 +END diff --git a/protein_pdb_350.txt b/protein_pdb_350.txt new file mode 100644 index 0000000000000000000000000000000000000000..785e377c4cc388d222b5e14ae8d2f86f46f6ff26 --- /dev/null +++ b/protein_pdb_350.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -2.965 13.925 -4.034 1.00 90.80 N +ATOM 2 CA GLY A 1 -2.424 12.862 -4.819 1.00 91.82 C +ATOM 3 C GLY A 1 -3.105 11.525 -4.614 1.00 92.44 C +ATOM 4 O GLY A 1 -3.857 11.338 -3.660 1.00 90.67 O +ATOM 5 N PRO A 2 -2.834 10.615 -5.476 1.00 90.92 N +ATOM 6 CA PRO A 2 -3.412 9.291 -5.400 1.00 91.68 C +ATOM 7 C PRO A 2 -2.736 8.441 -4.333 1.00 91.60 C +ATOM 8 O PRO A 2 -1.691 8.810 -3.801 1.00 88.90 O +ATOM 9 CB PRO A 2 -3.167 8.736 -6.799 1.00 89.19 C +ATOM 10 CG PRO A 2 -1.888 9.382 -7.201 1.00 86.18 C +ATOM 11 CD PRO A 2 -1.971 10.774 -6.639 1.00 88.83 C +HETATM 12 N HYP A 3 -3.369 7.322 -4.056 1.00 92.27 N +HETATM 13 CA HYP A 3 -2.747 6.403 -3.103 1.00 90.96 C +HETATM 14 C HYP A 3 -1.360 5.963 -3.545 1.00 92.98 C +HETATM 15 O HYP A 3 -1.089 5.844 -4.755 1.00 93.19 O +HETATM 16 CB HYP A 3 -3.725 5.180 -3.126 1.00 90.06 C +HETATM 17 CG HYP A 3 -5.061 5.778 -3.539 1.00 86.33 C +HETATM 18 CD HYP A 3 -4.637 6.860 -4.564 1.00 89.05 C +HETATM 19 OD1 HYP A 3 -5.660 6.396 -2.438 1.00 87.58 O +ATOM 20 N GLY A 4 -0.498 5.764 -2.568 1.00 93.72 N +ATOM 21 CA GLY A 4 0.837 5.311 -2.854 1.00 93.67 C +ATOM 22 C GLY A 4 0.834 3.858 -3.300 1.00 94.34 C +ATOM 23 O GLY A 4 -0.189 3.179 -3.265 1.00 93.80 O +ATOM 24 N PRO A 5 1.996 3.360 -3.733 1.00 91.64 N +ATOM 25 CA PRO A 5 2.096 1.980 -4.183 1.00 92.19 C +ATOM 26 C PRO A 5 1.955 1.007 -3.020 1.00 91.50 C +ATOM 27 O PRO A 5 2.121 1.374 -1.862 1.00 90.10 O +ATOM 28 CB PRO A 5 3.479 1.912 -4.811 1.00 90.05 C +ATOM 29 CG PRO A 5 4.258 2.950 -4.082 1.00 88.50 C +ATOM 30 CD PRO A 5 3.275 4.057 -3.830 1.00 91.19 C +HETATM 31 N HYP A 6 1.623 -0.246 -3.378 1.00 91.98 N +HETATM 32 CA HYP A 6 1.569 -1.272 -2.364 1.00 93.06 C +HETATM 33 C HYP A 6 2.858 -1.438 -1.613 1.00 93.65 C +HETATM 34 O HYP A 6 3.953 -1.215 -2.152 1.00 93.79 O +HETATM 35 CB HYP A 6 1.249 -2.556 -3.204 1.00 91.23 C +HETATM 36 CG HYP A 6 0.517 -2.024 -4.416 1.00 89.23 C +HETATM 37 CD HYP A 6 1.244 -0.733 -4.692 1.00 91.27 C +HETATM 38 OD1 HYP A 6 -0.821 -1.759 -4.095 1.00 88.90 O +ATOM 39 N GLY A 7 2.747 -1.756 -0.341 1.00 93.62 N +ATOM 40 CA GLY A 7 3.907 -1.992 0.475 1.00 93.96 C +ATOM 41 C GLY A 7 4.602 -3.273 0.052 1.00 94.73 C +ATOM 42 O GLY A 7 4.101 -4.029 -0.779 1.00 94.50 O +ATOM 43 N PRO A 8 5.775 -3.527 0.608 1.00 92.94 N +ATOM 44 CA PRO A 8 6.512 -4.736 0.263 1.00 93.57 C +ATOM 45 C PRO A 8 5.829 -5.981 0.812 1.00 93.43 C +ATOM 46 O PRO A 8 5.040 -5.917 1.751 1.00 91.70 O +ATOM 47 CB PRO A 8 7.876 -4.514 0.904 1.00 91.47 C +ATOM 48 CG PRO A 8 7.581 -3.641 2.070 1.00 90.18 C +ATOM 49 CD PRO A 8 6.484 -2.723 1.595 1.00 92.56 C +HETATM 50 N HYP A 9 6.156 -7.135 0.220 1.00 92.47 N +HETATM 51 CA HYP A 9 5.618 -8.369 0.683 1.00 92.09 C +HETATM 52 C HYP A 9 6.111 -8.701 2.055 1.00 94.15 C +HETATM 53 O HYP A 9 7.203 -8.337 2.459 1.00 92.93 O +HETATM 54 CB HYP A 9 6.237 -9.416 -0.297 1.00 89.82 C +HETATM 55 CG HYP A 9 6.618 -8.672 -1.489 1.00 90.19 C +HETATM 56 CD HYP A 9 7.011 -7.314 -0.966 1.00 92.16 C +HETATM 57 OD1 HYP A 9 5.502 -8.524 -2.325 1.00 89.37 O +ATOM 58 N GLY A 10 5.292 -9.360 2.844 1.00 93.37 N +ATOM 59 CA GLY A 10 5.730 -9.904 4.104 1.00 92.48 C +ATOM 60 C GLY A 10 6.566 -11.141 3.824 1.00 93.00 C +ATOM 61 O GLY A 10 6.971 -11.399 2.692 1.00 91.66 O +ATOM 62 N GLU A 11 6.829 -11.929 4.848 1.00 92.42 N +ATOM 63 CA GLU A 11 7.572 -13.171 4.656 1.00 94.37 C +ATOM 64 C GLU A 11 6.712 -14.147 3.870 1.00 94.49 C +ATOM 65 O GLU A 11 5.958 -14.941 4.431 1.00 91.38 O +ATOM 66 CB GLU A 11 7.968 -13.778 6.002 1.00 92.18 C +ATOM 67 CG GLU A 11 8.912 -12.902 6.783 1.00 84.49 C +ATOM 68 CD GLU A 11 9.450 -13.615 8.022 1.00 78.46 C +ATOM 69 OE1 GLU A 11 9.808 -14.805 7.906 1.00 74.30 O +ATOM 70 OE2 GLU A 11 9.497 -12.982 9.081 1.00 75.04 O +ATOM 71 N GLY A 12 6.808 -14.075 2.546 1.00 92.54 N +ATOM 72 CA GLY A 12 5.966 -14.879 1.679 1.00 93.05 C +ATOM 73 C GLY A 12 4.542 -14.381 1.642 1.00 93.84 C +ATOM 74 O GLY A 12 3.674 -15.015 1.041 1.00 90.20 O +ATOM 75 N GLY A 13 4.299 -13.260 2.271 1.00 94.53 N +ATOM 76 CA GLY A 13 2.962 -12.708 2.336 1.00 93.91 C +ATOM 77 C GLY A 13 2.657 -11.779 1.181 1.00 94.55 C +ATOM 78 O GLY A 13 3.514 -11.514 0.336 1.00 93.75 O +ATOM 79 N PRO A 14 1.430 -11.297 1.124 1.00 94.72 N +ATOM 80 CA PRO A 14 1.015 -10.413 0.047 1.00 94.75 C +ATOM 81 C PRO A 14 1.585 -9.014 0.210 1.00 94.84 C +ATOM 82 O PRO A 14 2.058 -8.644 1.273 1.00 93.47 O +ATOM 83 CB PRO A 14 -0.512 -10.408 0.167 1.00 93.16 C +ATOM 84 CG PRO A 14 -0.747 -10.588 1.624 1.00 91.96 C +ATOM 85 CD PRO A 14 0.327 -11.540 2.077 1.00 93.56 C +HETATM 86 N HYP A 15 1.545 -8.285 -0.876 1.00 93.67 N +HETATM 87 CA HYP A 15 1.899 -6.904 -0.819 1.00 94.18 C +HETATM 88 C HYP A 15 1.118 -6.165 0.209 1.00 95.37 C +HETATM 89 O HYP A 15 -0.049 -6.522 0.486 1.00 93.67 O +HETATM 90 CB HYP A 15 1.579 -6.448 -2.255 1.00 91.87 C +HETATM 91 CG HYP A 15 1.737 -7.708 -3.101 1.00 89.53 C +HETATM 92 CD HYP A 15 1.189 -8.792 -2.198 1.00 91.89 C +HETATM 93 OD1 HYP A 15 3.071 -7.928 -3.378 1.00 89.33 O +ATOM 94 N GLY A 16 1.720 -5.171 0.791 1.00 94.81 N +ATOM 95 CA GLY A 16 1.029 -4.351 1.745 1.00 94.66 C +ATOM 96 C GLY A 16 -0.051 -3.524 1.072 1.00 95.02 C +ATOM 97 O GLY A 16 -0.142 -3.478 -0.155 1.00 94.47 O +ATOM 98 N PRO A 17 -0.873 -2.864 1.875 1.00 94.00 N +ATOM 99 CA PRO A 17 -1.933 -2.034 1.324 1.00 94.28 C +ATOM 100 C PRO A 17 -1.367 -0.800 0.642 1.00 94.23 C +ATOM 101 O PRO A 17 -0.222 -0.422 0.857 1.00 92.61 O +ATOM 102 CB PRO A 17 -2.771 -1.670 2.544 1.00 92.71 C +ATOM 103 CG PRO A 17 -1.796 -1.711 3.670 1.00 90.77 C +ATOM 104 CD PRO A 17 -0.865 -2.844 3.336 1.00 92.74 C +HETATM 105 N HYP A 18 -2.185 -0.187 -0.227 1.00 91.86 N +HETATM 106 CA HYP A 18 -1.793 1.025 -0.819 1.00 91.29 C +HETATM 107 C HYP A 18 -1.414 2.073 0.171 1.00 93.96 C +HETATM 108 O HYP A 18 -1.989 2.131 1.279 1.00 92.91 O +HETATM 109 CB HYP A 18 -3.051 1.413 -1.642 1.00 89.81 C +HETATM 110 CG HYP A 18 -3.731 0.091 -1.954 1.00 88.77 C +HETATM 111 CD HYP A 18 -3.478 -0.702 -0.676 1.00 91.95 C +HETATM 112 OD1 HYP A 18 -3.081 -0.531 -3.046 1.00 87.80 O +ATOM 113 N GLY A 19 -0.444 2.887 -0.171 1.00 91.61 N +ATOM 114 CA GLY A 19 -0.019 3.962 0.675 1.00 92.17 C +ATOM 115 C GLY A 19 -1.104 5.019 0.791 1.00 92.83 C +ATOM 116 O GLY A 19 -2.100 4.995 0.075 1.00 92.39 O +ATOM 117 N PRO A 20 -0.909 5.961 1.695 1.00 90.91 N +ATOM 118 CA PRO A 20 -1.894 7.010 1.880 1.00 91.78 C +ATOM 119 C PRO A 20 -1.903 7.982 0.706 1.00 91.33 C +ATOM 120 O PRO A 20 -0.960 8.040 -0.075 1.00 90.14 O +ATOM 121 CB PRO A 20 -1.440 7.695 3.164 1.00 89.87 C +ATOM 122 CG PRO A 20 0.031 7.472 3.177 1.00 87.76 C +ATOM 123 CD PRO A 20 0.221 6.100 2.597 1.00 89.90 C +HETATM 124 N HYP A 21 -2.988 8.719 0.586 1.00 92.58 N +HETATM 125 CA HYP A 21 -3.073 9.720 -0.424 1.00 91.35 C +HETATM 126 C HYP A 21 -1.995 10.764 -0.325 1.00 92.49 C +HETATM 127 O HYP A 21 -1.598 11.112 0.782 1.00 93.08 O +HETATM 128 CB HYP A 21 -4.452 10.371 -0.216 1.00 88.85 C +HETATM 129 CG HYP A 21 -5.259 9.304 0.484 1.00 86.88 C +HETATM 130 CD HYP A 21 -4.218 8.616 1.358 1.00 91.29 C +HETATM 131 OD1 HYP A 21 -5.745 8.389 -0.490 1.00 86.86 O +ATOM 132 N GLY A 22 -1.485 11.188 -1.441 1.00 91.44 N +ATOM 133 CA GLY A 22 -0.511 12.235 -1.461 1.00 90.26 C +ATOM 134 C GLY A 22 -1.176 13.566 -1.152 1.00 90.54 C +ATOM 135 O GLY A 22 -2.399 13.650 -1.047 1.00 89.26 O +ATOM 136 N PRO A 23 -0.395 14.627 -1.009 1.00 93.14 N +ATOM 137 CA PRO A 23 -0.960 15.941 -0.747 1.00 93.26 C +ATOM 138 C PRO A 23 -1.604 16.493 -2.009 1.00 91.94 C +ATOM 139 O PRO A 23 -0.908 16.838 -2.958 1.00 88.57 O +ATOM 140 CB PRO A 23 0.251 16.761 -0.316 1.00 90.52 C +ATOM 141 CG PRO A 23 1.386 16.119 -1.034 1.00 88.01 C +ATOM 142 CD PRO A 23 1.052 14.643 -1.065 1.00 91.33 C +HETATM 143 N HYP A 24 -2.893 16.438 -2.096 1.00 94.56 N +HETATM 144 CA HYP A 24 -3.600 16.425 -3.389 1.00 89.53 C +HETATM 145 C HYP A 24 -3.366 15.401 -4.306 1.00 94.06 C +HETATM 146 O HYP A 24 -2.589 15.733 -5.319 1.00 91.74 O +HETATM 147 CB HYP A 24 -4.811 17.222 -3.276 1.00 89.86 C +HETATM 148 CG HYP A 24 -4.298 18.292 -2.274 1.00 88.55 C +HETATM 149 CD HYP A 24 -3.384 17.453 -1.300 1.00 92.11 C +HETATM 150 OD1 HYP A 24 -5.327 18.954 -1.635 1.00 88.81 O +HETATM 151 OXT HYP A 24 -4.487 14.765 -4.903 1.00 88.19 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_351.txt b/protein_pdb_351.txt new file mode 100644 index 0000000000000000000000000000000000000000..e043a6572dacfdbcfde3f16a1249b6405b18f076 --- /dev/null +++ b/protein_pdb_351.txt @@ -0,0 +1,220 @@ +ATOM 1 N GLY A 1 -19.183 -12.400 41.130 1.00 93.43 N +ATOM 2 CA GLY A 1 -19.173 -10.953 40.929 1.00 94.60 C +ATOM 3 C GLY A 1 -19.580 -10.579 39.523 1.00 94.83 C +ATOM 4 O GLY A 1 -19.705 -11.453 38.660 1.00 93.24 O +ATOM 5 N PRO A 2 -19.748 -9.289 39.243 1.00 96.93 N +ATOM 6 CA PRO A 2 -20.131 -8.833 37.907 1.00 96.97 C +ATOM 7 C PRO A 2 -18.980 -8.988 36.914 1.00 97.31 C +ATOM 8 O PRO A 2 -17.822 -9.056 37.305 1.00 95.95 O +ATOM 9 CB PRO A 2 -20.488 -7.362 38.117 1.00 94.78 C +ATOM 10 CG PRO A 2 -19.647 -6.958 39.276 1.00 92.04 C +ATOM 11 CD PRO A 2 -19.603 -8.175 40.169 1.00 94.37 C +HETATM 12 N HYP A 3 -19.308 -9.065 35.703 1.00 95.96 N +HETATM 13 CA HYP A 3 -18.312 -9.122 34.590 1.00 95.16 C +HETATM 14 C HYP A 3 -17.385 -7.922 34.547 1.00 95.37 C +HETATM 15 O HYP A 3 -17.856 -6.785 34.823 1.00 94.52 O +HETATM 16 CB HYP A 3 -19.156 -9.165 33.287 1.00 95.00 C +HETATM 17 CG HYP A 3 -20.497 -9.595 33.715 1.00 94.35 C +HETATM 18 CD HYP A 3 -20.646 -9.057 35.168 1.00 95.00 C +HETATM 19 OD1 HYP A 3 -20.645 -10.983 33.746 1.00 94.51 O +ATOM 20 N GLY A 4 -16.124 -8.138 34.199 1.00 97.33 N +ATOM 21 CA GLY A 4 -15.185 -7.045 34.072 1.00 96.69 C +ATOM 22 C GLY A 4 -15.506 -6.188 32.861 1.00 96.32 C +ATOM 23 O GLY A 4 -16.220 -6.615 31.950 1.00 96.11 O +ATOM 24 N ILE A 5 -14.944 -4.965 32.847 1.00 97.18 N +ATOM 25 CA ILE A 5 -15.180 -4.061 31.724 1.00 95.98 C +ATOM 26 C ILE A 5 -14.449 -4.564 30.485 1.00 95.60 C +ATOM 27 O ILE A 5 -13.388 -5.183 30.573 1.00 94.57 O +ATOM 28 CB ILE A 5 -14.743 -2.620 32.054 1.00 94.27 C +ATOM 29 CG1 ILE A 5 -13.253 -2.580 32.396 1.00 89.24 C +ATOM 30 CG2 ILE A 5 -15.578 -2.078 33.201 1.00 88.26 C +ATOM 31 CD1 ILE A 5 -12.691 -1.175 32.536 1.00 84.09 C +ATOM 32 N ARG A 6 -15.013 -4.300 29.289 1.00 95.93 N +ATOM 33 CA ARG A 6 -14.404 -4.724 28.037 1.00 95.27 C +ATOM 34 C ARG A 6 -13.127 -3.935 27.776 1.00 95.43 C +ATOM 35 O ARG A 6 -13.063 -2.739 28.036 1.00 93.84 O +ATOM 36 CB ARG A 6 -15.394 -4.531 26.882 1.00 92.08 C +ATOM 37 CG ARG A 6 -14.898 -5.092 25.563 1.00 84.70 C +ATOM 38 CD ARG A 6 -15.965 -4.960 24.501 1.00 81.95 C +ATOM 39 NE ARG A 6 -15.529 -5.519 23.223 1.00 76.74 N +ATOM 40 CZ ARG A 6 -16.288 -5.589 22.146 1.00 72.58 C +ATOM 41 NH1 ARG A 6 -17.526 -5.135 22.163 1.00 68.42 N +ATOM 42 NH2 ARG A 6 -15.801 -6.117 21.040 1.00 67.46 N +ATOM 43 N GLY A 7 -12.125 -4.615 27.279 1.00 96.13 N +ATOM 44 CA GLY A 7 -10.861 -3.973 26.992 1.00 95.74 C +ATOM 45 C GLY A 7 -10.966 -2.956 25.868 1.00 95.91 C +ATOM 46 O GLY A 7 -11.964 -2.925 25.141 1.00 96.44 O +ATOM 47 N PRO A 8 -9.939 -2.123 25.694 1.00 96.58 N +ATOM 48 CA PRO A 8 -9.963 -1.123 24.634 1.00 96.52 C +ATOM 49 C PRO A 8 -9.875 -1.750 23.253 1.00 96.81 C +ATOM 50 O PRO A 8 -9.354 -2.856 23.091 1.00 95.26 O +ATOM 51 CB PRO A 8 -8.737 -0.246 24.925 1.00 95.20 C +ATOM 52 CG PRO A 8 -7.796 -1.175 25.610 1.00 93.94 C +ATOM 53 CD PRO A 8 -8.680 -2.076 26.449 1.00 96.07 C +ATOM 54 N LYS A 9 -10.379 -1.048 22.239 1.00 94.45 N +ATOM 55 CA LYS A 9 -10.326 -1.533 20.866 1.00 94.81 C +ATOM 56 C LYS A 9 -8.880 -1.533 20.379 1.00 94.58 C +ATOM 57 O LYS A 9 -8.096 -0.661 20.727 1.00 93.04 O +ATOM 58 CB LYS A 9 -11.197 -0.664 19.963 1.00 92.61 C +ATOM 59 CG LYS A 9 -11.295 -1.159 18.531 1.00 85.90 C +ATOM 60 CD LYS A 9 -12.235 -0.306 17.706 1.00 83.38 C +ATOM 61 CE LYS A 9 -12.331 -0.808 16.280 1.00 76.76 C +ATOM 62 NZ LYS A 9 -13.264 0.013 15.473 1.00 72.27 N +ATOM 63 N GLY A 10 -8.541 -2.517 19.574 1.00 94.80 N +ATOM 64 CA GLY A 10 -7.198 -2.610 19.032 1.00 93.93 C +ATOM 65 C GLY A 10 -6.854 -1.423 18.147 1.00 93.89 C +ATOM 66 O GLY A 10 -7.739 -0.747 17.626 1.00 94.06 O +ATOM 67 N GLN A 11 -5.553 -1.187 17.966 1.00 95.91 N +ATOM 68 CA GLN A 11 -5.117 -0.056 17.151 1.00 95.33 C +ATOM 69 C GLN A 11 -5.390 -0.315 15.669 1.00 95.45 C +ATOM 70 O GLN A 11 -5.543 -1.457 15.237 1.00 94.82 O +ATOM 71 CB GLN A 11 -3.630 0.234 17.380 1.00 93.52 C +ATOM 72 CG GLN A 11 -2.700 -0.853 16.868 1.00 86.05 C +ATOM 73 CD GLN A 11 -1.243 -0.539 17.161 1.00 80.25 C +ATOM 74 OE1 GLN A 11 -0.904 -0.188 18.280 1.00 75.88 O +ATOM 75 NE2 GLN A 11 -0.382 -0.651 16.169 1.00 72.91 N +ATOM 76 N LYS A 12 -5.455 0.770 14.890 1.00 94.39 N +ATOM 77 CA LYS A 12 -5.718 0.665 13.460 1.00 94.75 C +ATOM 78 C LYS A 12 -4.592 -0.091 12.775 1.00 94.96 C +ATOM 79 O LYS A 12 -3.425 0.038 13.134 1.00 94.32 O +ATOM 80 CB LYS A 12 -5.866 2.067 12.853 1.00 92.71 C +ATOM 81 CG LYS A 12 -6.227 2.072 11.381 1.00 89.96 C +ATOM 82 CD LYS A 12 -6.416 3.489 10.868 1.00 86.40 C +ATOM 83 CE LYS A 12 -6.775 3.508 9.395 1.00 80.48 C +ATOM 84 NZ LYS A 12 -6.972 4.889 8.895 1.00 76.07 N +ATOM 85 N GLY A 13 -4.957 -0.891 11.777 1.00 97.15 N +ATOM 86 CA GLY A 13 -3.971 -1.658 11.030 1.00 96.70 C +ATOM 87 C GLY A 13 -3.064 -0.769 10.204 1.00 96.98 C +ATOM 88 O GLY A 13 -3.346 0.408 9.987 1.00 96.94 O +ATOM 89 N GLU A 14 -1.944 -1.349 9.741 1.00 97.11 N +ATOM 90 CA GLU A 14 -0.979 -0.615 8.937 1.00 97.21 C +ATOM 91 C GLU A 14 -1.546 -0.271 7.573 1.00 97.58 C +ATOM 92 O GLU A 14 -2.458 -0.925 7.088 1.00 97.12 O +ATOM 93 CB GLU A 14 0.302 -1.434 8.758 1.00 96.03 C +ATOM 94 CG GLU A 14 1.049 -1.673 10.062 1.00 89.67 C +ATOM 95 CD GLU A 14 2.323 -2.477 9.859 1.00 85.83 C +ATOM 96 OE1 GLU A 14 2.536 -2.987 8.745 1.00 81.89 O +ATOM 97 OE2 GLU A 14 3.088 -2.595 10.817 1.00 81.72 O +HETATM 98 N HYP A 15 -0.987 0.730 6.937 1.00 96.41 N +HETATM 99 CA HYP A 15 -1.381 1.133 5.583 1.00 96.55 C +HETATM 100 C HYP A 15 -1.133 0.032 4.567 1.00 96.31 C +HETATM 101 O HYP A 15 -0.228 -0.797 4.776 1.00 94.42 O +HETATM 102 CB HYP A 15 -0.485 2.366 5.290 1.00 95.23 C +HETATM 103 CG HYP A 15 -0.128 2.882 6.660 1.00 94.74 C +HETATM 104 CD HYP A 15 -0.009 1.657 7.515 1.00 95.31 C +HETATM 105 OD1 HYP A 15 -1.097 3.750 7.162 1.00 93.67 O +ATOM 106 N GLY A 16 -1.912 -0.018 3.531 1.00 97.90 N +ATOM 107 CA GLY A 16 -1.721 -1.006 2.498 1.00 97.50 C +ATOM 108 C GLY A 16 -0.414 -0.786 1.746 1.00 97.88 C +ATOM 109 O GLY A 16 0.223 0.260 1.858 1.00 97.60 O +ATOM 110 N LEU A 17 -0.013 -1.809 0.962 1.00 97.36 N +ATOM 111 CA LEU A 17 1.213 -1.743 0.176 1.00 97.16 C +ATOM 112 C LEU A 17 1.072 -0.740 -0.961 1.00 97.30 C +ATOM 113 O LEU A 17 -0.025 -0.501 -1.454 1.00 96.92 O +ATOM 114 CB LEU A 17 1.540 -3.110 -0.404 1.00 95.81 C +ATOM 115 CG LEU A 17 1.831 -4.214 0.610 1.00 87.78 C +ATOM 116 CD1 LEU A 17 1.977 -5.547 -0.113 1.00 85.97 C +ATOM 117 CD2 LEU A 17 3.082 -3.910 1.408 1.00 84.88 C +HETATM 118 N HYP A 18 2.159 -0.182 -1.438 1.00 95.99 N +HETATM 119 CA HYP A 18 2.185 0.707 -2.588 1.00 96.51 C +HETATM 120 C HYP A 18 1.743 -0.010 -3.871 1.00 95.79 C +HETATM 121 O HYP A 18 1.954 -1.238 -3.967 1.00 94.63 O +HETATM 122 CB HYP A 18 3.665 1.130 -2.722 1.00 94.32 C +HETATM 123 CG HYP A 18 4.191 0.997 -1.325 1.00 93.25 C +HETATM 124 CD HYP A 18 3.451 -0.184 -0.756 1.00 95.49 C +HETATM 125 OD1 HYP A 18 3.921 2.136 -0.557 1.00 93.50 O +ATOM 126 N GLY A 19 1.173 0.697 -4.779 1.00 97.54 N +ATOM 127 CA GLY A 19 0.780 0.109 -6.033 1.00 97.05 C +ATOM 128 C GLY A 19 1.993 -0.284 -6.871 1.00 97.32 C +ATOM 129 O GLY A 19 3.130 0.068 -6.542 1.00 97.48 O +ATOM 130 N PRO A 20 1.767 -1.021 -7.986 1.00 97.32 N +ATOM 131 CA PRO A 20 2.862 -1.449 -8.852 1.00 97.19 C +ATOM 132 C PRO A 20 3.466 -0.272 -9.609 1.00 97.31 C +ATOM 133 O PRO A 20 2.822 0.756 -9.794 1.00 96.62 O +ATOM 134 CB PRO A 20 2.196 -2.438 -9.800 1.00 95.90 C +ATOM 135 CG PRO A 20 0.788 -1.980 -9.855 1.00 94.64 C +ATOM 136 CD PRO A 20 0.479 -1.481 -8.470 1.00 96.78 C +HETATM 137 N HYP A 21 4.678 -0.413 -10.076 1.00 94.67 N +HETATM 138 CA HYP A 21 5.353 0.548 -10.917 1.00 95.99 C +HETATM 139 C HYP A 21 4.628 0.786 -12.254 1.00 94.69 C +HETATM 140 O HYP A 21 3.954 -0.138 -12.738 1.00 94.96 O +HETATM 141 CB HYP A 21 6.732 -0.094 -11.181 1.00 93.21 C +HETATM 142 CG HYP A 21 6.951 -0.991 -9.977 1.00 91.16 C +HETATM 143 CD HYP A 21 5.562 -1.496 -9.678 1.00 94.62 C +HETATM 144 OD1 HYP A 21 7.437 -0.287 -8.881 1.00 93.53 O +ATOM 145 N GLY A 22 4.737 1.942 -12.805 1.00 96.90 N +ATOM 146 CA GLY A 22 4.131 2.222 -14.077 1.00 96.36 C +ATOM 147 C GLY A 22 4.811 1.464 -15.199 1.00 96.81 C +ATOM 148 O GLY A 22 5.848 0.826 -15.000 1.00 97.09 O +ATOM 149 N PRO A 23 4.242 1.522 -16.425 1.00 96.92 N +ATOM 150 CA PRO A 23 4.814 0.818 -17.569 1.00 96.78 C +ATOM 151 C PRO A 23 6.135 1.450 -18.004 1.00 96.91 C +ATOM 152 O PRO A 23 6.392 2.615 -17.734 1.00 96.13 O +ATOM 153 CB PRO A 23 3.746 0.965 -18.648 1.00 95.03 C +ATOM 154 CG PRO A 23 3.044 2.220 -18.276 1.00 93.63 C +ATOM 155 CD PRO A 23 3.040 2.247 -16.777 1.00 96.08 C +HETATM 156 N HYP A 24 6.965 0.696 -18.701 1.00 93.77 N +HETATM 157 CA HYP A 24 8.208 1.172 -19.258 1.00 94.87 C +HETATM 158 C HYP A 24 8.014 2.293 -20.284 1.00 93.45 C +HETATM 159 O HYP A 24 6.981 2.348 -20.962 1.00 93.53 O +HETATM 160 CB HYP A 24 8.788 -0.072 -19.962 1.00 91.85 C +HETATM 161 CG HYP A 24 8.202 -1.231 -19.231 1.00 89.18 C +HETATM 162 CD HYP A 24 6.820 -0.733 -18.876 1.00 93.41 C +HETATM 163 OD1 HYP A 24 8.908 -1.534 -18.070 1.00 91.44 O +ATOM 164 N GLY A 25 8.963 3.178 -20.381 1.00 95.94 N +ATOM 165 CA GLY A 25 8.912 4.239 -21.346 1.00 95.19 C +ATOM 166 C GLY A 25 9.086 3.711 -22.762 1.00 95.64 C +ATOM 167 O GLY A 25 9.371 2.527 -22.969 1.00 96.15 O +ATOM 168 N PRO A 26 8.931 4.582 -23.779 1.00 95.92 N +ATOM 169 CA PRO A 26 9.063 4.173 -25.172 1.00 95.48 C +ATOM 170 C PRO A 26 10.507 3.846 -25.523 1.00 95.70 C +ATOM 171 O PRO A 26 11.435 4.295 -24.849 1.00 94.73 O +ATOM 172 CB PRO A 26 8.558 5.377 -25.951 1.00 93.43 C +ATOM 173 CG PRO A 26 8.832 6.525 -25.043 1.00 92.35 C +ATOM 174 CD PRO A 26 8.607 5.992 -23.653 1.00 95.03 C +HETATM 175 N HYP A 27 10.725 3.102 -26.600 1.00 94.46 N +HETATM 176 CA HYP A 27 12.035 2.762 -27.065 1.00 92.79 C +HETATM 177 C HYP A 27 12.830 3.979 -27.542 1.00 94.18 C +HETATM 178 O HYP A 27 12.249 4.956 -28.028 1.00 93.05 O +HETATM 179 CB HYP A 27 11.723 1.860 -28.317 1.00 92.04 C +HETATM 180 CG HYP A 27 10.354 1.278 -28.056 1.00 89.61 C +HETATM 181 CD HYP A 27 9.652 2.393 -27.304 1.00 93.39 C +HETATM 182 OD1 HYP A 27 10.426 0.147 -27.230 1.00 88.88 O +ATOM 183 N GLY A 28 14.133 3.943 -27.363 1.00 93.61 N +ATOM 184 CA GLY A 28 14.986 5.015 -27.799 1.00 92.57 C +ATOM 185 C GLY A 28 15.062 5.080 -29.317 1.00 93.22 C +ATOM 186 O GLY A 28 14.518 4.218 -30.017 1.00 93.72 O +ATOM 187 N PRO A 29 15.746 6.097 -29.865 1.00 93.30 N +ATOM 188 CA PRO A 29 15.864 6.247 -31.311 1.00 92.66 C +ATOM 189 C PRO A 29 16.704 5.133 -31.915 1.00 92.94 C +ATOM 190 O PRO A 29 17.567 4.565 -31.255 1.00 90.43 O +ATOM 191 CB PRO A 29 16.540 7.606 -31.478 1.00 89.49 C +ATOM 192 CG PRO A 29 17.291 7.789 -30.215 1.00 88.68 C +ATOM 193 CD PRO A 29 16.447 7.155 -29.145 1.00 92.13 C +HETATM 194 N HYP A 30 16.494 4.853 -33.225 1.00 89.56 N +HETATM 195 CA HYP A 30 17.225 3.829 -33.899 1.00 88.75 C +HETATM 196 C HYP A 30 18.678 4.175 -34.121 1.00 87.56 C +HETATM 197 O HYP A 30 19.027 5.336 -34.394 1.00 87.17 O +HETATM 198 CB HYP A 30 16.578 3.798 -35.362 1.00 86.20 C +HETATM 199 CG HYP A 30 15.235 4.408 -35.179 1.00 83.72 C +HETATM 200 CD HYP A 30 15.423 5.412 -34.048 1.00 88.41 C +HETATM 201 OD1 HYP A 30 14.314 3.435 -34.790 1.00 83.38 O +ATOM 202 N GLY A 31 19.579 3.200 -33.966 1.00 88.84 N +ATOM 203 CA GLY A 31 20.990 3.397 -34.208 1.00 85.35 C +ATOM 204 C GLY A 31 21.452 2.508 -35.346 1.00 81.94 C +ATOM 205 O GLY A 31 20.700 1.671 -35.857 1.00 77.72 O +ATOM 206 N TYR A 32 22.709 2.697 -35.757 1.00 87.65 N +ATOM 207 CA TYR A 32 23.316 1.861 -36.789 1.00 83.30 C +ATOM 208 C TYR A 32 24.843 1.979 -36.716 1.00 75.40 C +ATOM 209 O TYR A 32 25.353 2.815 -35.964 1.00 70.47 O +ATOM 210 CB TYR A 32 22.812 2.243 -38.190 1.00 76.62 C +ATOM 211 CG TYR A 32 23.092 3.680 -38.588 1.00 71.97 C +ATOM 212 CD1 TYR A 32 22.177 4.686 -38.299 1.00 70.68 C +ATOM 213 CD2 TYR A 32 24.259 4.019 -39.265 1.00 66.81 C +ATOM 214 CE1 TYR A 32 22.417 5.997 -38.670 1.00 65.54 C +ATOM 215 CE2 TYR A 32 24.502 5.330 -39.633 1.00 68.42 C +ATOM 216 CZ TYR A 32 23.584 6.312 -39.336 1.00 62.91 C +ATOM 217 OH TYR A 32 23.824 7.614 -39.701 1.00 64.51 O +ATOM 218 OXT TYR A 32 25.542 1.221 -37.415 1.00 61.36 O +TER 219 TYR A 32 +END diff --git a/protein_pdb_352.txt b/protein_pdb_352.txt new file mode 100644 index 0000000000000000000000000000000000000000..bcc9ebfbe7dfc48df8ca04c330d05db617165c7e --- /dev/null +++ b/protein_pdb_352.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -24.042 6.874 28.989 1.00 93.54 N +ATOM 2 CA GLY A 1 -23.022 5.833 29.004 1.00 94.12 C +ATOM 3 C GLY A 1 -21.762 6.288 28.315 1.00 94.83 C +ATOM 4 O GLY A 1 -21.758 7.326 27.647 1.00 93.35 O +ATOM 5 N PRO A 2 -20.679 5.549 28.437 1.00 96.21 N +ATOM 6 CA PRO A 2 -19.418 5.926 27.798 1.00 96.46 C +ATOM 7 C PRO A 2 -19.505 5.790 26.283 1.00 96.72 C +ATOM 8 O PRO A 2 -20.315 5.040 25.756 1.00 95.70 O +ATOM 9 CB PRO A 2 -18.404 4.964 28.395 1.00 94.94 C +ATOM 10 CG PRO A 2 -19.219 3.760 28.712 1.00 93.01 C +ATOM 11 CD PRO A 2 -20.533 4.305 29.203 1.00 94.68 C +HETATM 12 N HYP A 3 -18.716 6.520 25.593 1.00 96.55 N +HETATM 13 CA HYP A 3 -18.589 6.411 24.172 1.00 96.46 C +HETATM 14 C HYP A 3 -18.216 5.024 23.728 1.00 97.39 C +HETATM 15 O HYP A 3 -17.509 4.309 24.454 1.00 96.20 O +HETATM 16 CB HYP A 3 -17.511 7.400 23.826 1.00 95.69 C +HETATM 17 CG HYP A 3 -17.429 8.324 24.963 1.00 94.15 C +HETATM 18 CD HYP A 3 -17.784 7.474 26.136 1.00 95.69 C +HETATM 19 OD1 HYP A 3 -18.340 9.377 24.836 1.00 94.18 O +ATOM 20 N GLY A 4 -18.689 4.638 22.565 1.00 97.72 N +ATOM 21 CA GLY A 4 -18.348 3.340 22.028 1.00 97.49 C +ATOM 22 C GLY A 4 -16.887 3.310 21.620 1.00 97.51 C +ATOM 23 O GLY A 4 -16.220 4.349 21.571 1.00 97.30 O +ATOM 24 N PRO A 5 -16.381 2.130 21.301 1.00 97.30 N +ATOM 25 CA PRO A 5 -14.979 2.011 20.898 1.00 97.19 C +ATOM 26 C PRO A 5 -14.746 2.649 19.530 1.00 97.30 C +ATOM 27 O PRO A 5 -15.666 2.785 18.733 1.00 96.88 O +ATOM 28 CB PRO A 5 -14.733 0.507 20.882 1.00 96.12 C +ATOM 29 CG PRO A 5 -16.077 -0.051 20.571 1.00 94.84 C +ATOM 30 CD PRO A 5 -17.045 0.833 21.316 1.00 96.61 C +HETATM 31 N HYP A 6 -13.536 3.046 19.255 1.00 97.15 N +HETATM 32 CA HYP A 6 -13.163 3.522 17.942 1.00 97.08 C +HETATM 33 C HYP A 6 -13.384 2.547 16.861 1.00 97.58 C +HETATM 34 O HYP A 6 -13.284 1.335 17.105 1.00 96.12 O +HETATM 35 CB HYP A 6 -11.660 3.864 18.106 1.00 95.25 C +HETATM 36 CG HYP A 6 -11.457 4.060 19.550 1.00 93.91 C +HETATM 37 CD HYP A 6 -12.427 3.085 20.147 1.00 95.79 C +HETATM 38 OD1 HYP A 6 -11.783 5.362 19.916 1.00 92.32 O +ATOM 39 N GLY A 7 -13.728 3.004 15.678 1.00 97.24 N +ATOM 40 CA GLY A 7 -13.948 2.127 14.553 1.00 97.07 C +ATOM 41 C GLY A 7 -12.652 1.451 14.132 1.00 97.41 C +ATOM 42 O GLY A 7 -11.568 1.827 14.582 1.00 97.29 O +ATOM 43 N PRO A 8 -12.765 0.459 13.262 1.00 97.41 N +ATOM 44 CA PRO A 8 -11.568 -0.250 12.805 1.00 97.49 C +ATOM 45 C PRO A 8 -10.708 0.635 11.917 1.00 97.51 C +ATOM 46 O PRO A 8 -11.196 1.576 11.295 1.00 96.86 O +ATOM 47 CB PRO A 8 -12.134 -1.443 12.044 1.00 96.64 C +ATOM 48 CG PRO A 8 -13.439 -0.932 11.540 1.00 95.60 C +ATOM 49 CD PRO A 8 -13.972 -0.075 12.664 1.00 97.14 C +HETATM 50 N HYP A 9 -9.479 0.356 11.815 1.00 97.48 N +HETATM 51 CA HYP A 9 -8.547 1.027 10.919 1.00 96.97 C +HETATM 52 C HYP A 9 -8.908 0.852 9.515 1.00 97.59 C +HETATM 53 O HYP A 9 -9.462 -0.156 9.138 1.00 96.32 O +HETATM 54 CB HYP A 9 -7.187 0.365 11.239 1.00 95.84 C +HETATM 55 CG HYP A 9 -7.339 -0.123 12.620 1.00 94.87 C +HETATM 56 CD HYP A 9 -8.763 -0.549 12.663 1.00 96.14 C +HETATM 57 OD1 HYP A 9 -7.138 0.913 13.546 1.00 93.20 O +ATOM 58 N GLY A 10 -8.615 1.847 8.681 1.00 96.92 N +ATOM 59 CA GLY A 10 -8.888 1.759 7.264 1.00 96.46 C +ATOM 60 C GLY A 10 -8.060 0.659 6.619 1.00 96.30 C +ATOM 61 O GLY A 10 -7.073 0.184 7.185 1.00 95.40 O +ATOM 62 N SER A 11 -8.467 0.269 5.434 1.00 96.58 N +ATOM 63 CA SER A 11 -7.743 -0.771 4.708 1.00 95.88 C +ATOM 64 C SER A 11 -6.430 -0.230 4.168 1.00 95.74 C +ATOM 65 O SER A 11 -6.239 0.972 4.004 1.00 93.77 O +ATOM 66 CB SER A 11 -8.595 -1.307 3.565 1.00 93.59 C +ATOM 67 OG SER A 11 -8.910 -0.268 2.669 1.00 86.37 O +ATOM 68 N CYS A 12 -5.494 -1.142 3.904 1.00 95.93 N +ATOM 69 CA CYS A 12 -4.212 -0.753 3.350 1.00 95.25 C +ATOM 70 C CYS A 12 -4.431 -0.173 1.959 1.00 95.11 C +ATOM 71 O CYS A 12 -5.277 -0.656 1.210 1.00 93.09 O +ATOM 72 CB CYS A 12 -3.282 -1.971 3.271 1.00 92.62 C +ATOM 73 SG CYS A 12 -1.598 -1.563 2.795 1.00 82.38 S +ATOM 74 N GLY A 13 -3.683 0.868 1.622 1.00 96.06 N +ATOM 75 CA GLY A 13 -3.813 1.482 0.320 1.00 96.33 C +ATOM 76 C GLY A 13 -3.382 0.551 -0.801 1.00 96.93 C +ATOM 77 O GLY A 13 -2.773 -0.491 -0.558 1.00 96.64 O +ATOM 78 N PRO A 14 -3.682 0.909 -2.041 1.00 96.23 N +ATOM 79 CA PRO A 14 -3.325 0.069 -3.176 1.00 96.47 C +ATOM 80 C PRO A 14 -1.818 0.060 -3.413 1.00 96.80 C +ATOM 81 O PRO A 14 -1.114 0.978 -3.010 1.00 96.29 O +ATOM 82 CB PRO A 14 -4.078 0.698 -4.349 1.00 95.19 C +ATOM 83 CG PRO A 14 -4.153 2.136 -3.962 1.00 93.70 C +ATOM 84 CD PRO A 14 -4.392 2.116 -2.470 1.00 95.39 C +HETATM 85 N HYP A 15 -1.328 -0.944 -4.101 1.00 97.19 N +HETATM 86 CA HYP A 15 0.065 -1.029 -4.470 1.00 96.45 C +HETATM 87 C HYP A 15 0.494 0.093 -5.342 1.00 97.49 C +HETATM 88 O HYP A 15 -0.320 0.618 -6.101 1.00 95.64 O +HETATM 89 CB HYP A 15 0.163 -2.329 -5.199 1.00 95.89 C +HETATM 90 CG HYP A 15 -1.000 -3.129 -4.715 1.00 94.60 C +HETATM 91 CD HYP A 15 -2.026 -2.104 -4.502 1.00 95.66 C +HETATM 92 OD1 HYP A 15 -0.722 -3.783 -3.512 1.00 94.06 O +ATOM 93 N GLY A 16 1.698 0.524 -5.223 1.00 97.53 N +ATOM 94 CA GLY A 16 2.213 1.556 -6.083 1.00 97.18 C +ATOM 95 C GLY A 16 2.382 1.030 -7.501 1.00 97.30 C +ATOM 96 O GLY A 16 2.291 -0.178 -7.742 1.00 97.07 O +ATOM 97 N PRO A 17 2.632 1.926 -8.444 1.00 96.94 N +ATOM 98 CA PRO A 17 2.806 1.499 -9.830 1.00 96.57 C +ATOM 99 C PRO A 17 4.111 0.733 -10.019 1.00 96.62 C +ATOM 100 O PRO A 17 5.041 0.863 -9.232 1.00 95.66 O +ATOM 101 CB PRO A 17 2.807 2.821 -10.608 1.00 95.29 C +ATOM 102 CG PRO A 17 3.352 3.789 -9.617 1.00 94.32 C +ATOM 103 CD PRO A 17 2.755 3.370 -8.295 1.00 96.11 C +HETATM 104 N HYP A 18 4.182 -0.065 -11.067 1.00 96.95 N +HETATM 105 CA HYP A 18 5.413 -0.756 -11.410 1.00 96.29 C +HETATM 106 C HYP A 18 6.539 0.174 -11.673 1.00 96.98 C +HETATM 107 O HYP A 18 6.325 1.285 -12.191 1.00 95.87 O +HETATM 108 CB HYP A 18 5.058 -1.535 -12.654 1.00 95.64 C +HETATM 109 CG HYP A 18 3.556 -1.730 -12.592 1.00 94.66 C +HETATM 110 CD HYP A 18 3.100 -0.477 -11.930 1.00 95.67 C +HETATM 111 OD1 HYP A 18 3.209 -2.835 -11.801 1.00 93.37 O +ATOM 112 N GLY A 19 7.732 -0.201 -11.267 1.00 96.62 N +ATOM 113 CA GLY A 19 8.890 0.617 -11.520 1.00 96.25 C +ATOM 114 C GLY A 19 9.198 0.649 -13.006 1.00 96.52 C +ATOM 115 O GLY A 19 8.651 -0.136 -13.784 1.00 96.06 O +ATOM 116 N PRO A 20 10.094 1.531 -13.426 1.00 95.92 N +ATOM 117 CA PRO A 20 10.450 1.622 -14.836 1.00 95.56 C +ATOM 118 C PRO A 20 11.279 0.418 -15.260 1.00 95.61 C +ATOM 119 O PRO A 20 11.884 -0.261 -14.426 1.00 94.40 O +ATOM 120 CB PRO A 20 11.240 2.919 -14.914 1.00 94.02 C +ATOM 121 CG PRO A 20 11.858 3.028 -13.565 1.00 92.60 C +ATOM 122 CD PRO A 20 10.799 2.521 -12.622 1.00 94.90 C +HETATM 123 N HYP A 21 11.334 0.130 -16.545 1.00 95.75 N +HETATM 124 CA HYP A 21 12.162 -0.907 -17.066 1.00 94.66 C +HETATM 125 C HYP A 21 13.609 -0.726 -16.767 1.00 96.49 C +HETATM 126 O HYP A 21 14.056 0.404 -16.719 1.00 94.84 O +HETATM 127 CB HYP A 21 11.917 -0.876 -18.572 1.00 94.31 C +HETATM 128 CG HYP A 21 10.546 -0.256 -18.718 1.00 93.16 C +HETATM 129 CD HYP A 21 10.525 0.719 -17.586 1.00 94.28 C +HETATM 130 OD1 HYP A 21 9.510 -1.209 -18.527 1.00 91.73 O +ATOM 131 N GLY A 22 14.331 -1.796 -16.484 1.00 93.82 N +ATOM 132 CA GLY A 22 15.733 -1.702 -16.187 1.00 93.59 C +ATOM 133 C GLY A 22 16.512 -1.221 -17.400 1.00 94.12 C +ATOM 134 O GLY A 22 15.975 -1.171 -18.511 1.00 93.05 O +ATOM 135 N PRO A 23 17.790 -0.899 -17.231 1.00 92.90 N +ATOM 136 CA PRO A 23 18.598 -0.424 -18.348 1.00 93.36 C +ATOM 137 C PRO A 23 18.877 -1.552 -19.325 1.00 92.94 C +ATOM 138 O PRO A 23 18.870 -2.725 -18.960 1.00 89.80 O +ATOM 139 CB PRO A 23 19.868 0.095 -17.682 1.00 90.55 C +ATOM 140 CG PRO A 23 19.974 -0.757 -16.467 1.00 87.73 C +ATOM 141 CD PRO A 23 18.558 -0.928 -15.994 1.00 90.48 C +HETATM 142 N HYP A 24 19.191 -1.234 -20.550 1.00 92.78 N +HETATM 143 CA HYP A 24 19.517 -2.261 -21.520 1.00 91.03 C +HETATM 144 C HYP A 24 20.804 -2.951 -21.216 1.00 90.95 C +HETATM 145 O HYP A 24 21.754 -2.267 -20.874 1.00 88.25 O +HETATM 146 CB HYP A 24 19.654 -1.486 -22.868 1.00 90.28 C +HETATM 147 CG HYP A 24 19.008 -0.150 -22.635 1.00 89.21 C +HETATM 148 CD HYP A 24 19.096 0.066 -21.138 1.00 91.29 C +HETATM 149 OD1 HYP A 24 17.635 -0.241 -23.001 1.00 87.51 O +HETATM 150 OXT HYP A 24 20.793 -4.196 -21.303 1.00 85.02 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_353.txt b/protein_pdb_353.txt new file mode 100644 index 0000000000000000000000000000000000000000..6e21b1e0bb2ba9511d2e9d50e87cd9c61dfd2f6a --- /dev/null +++ b/protein_pdb_353.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 14.889 -1.445 0.193 1.00 89.84 N +ATOM 2 CA GLY A 1 14.002 -0.960 -0.812 1.00 90.74 C +ATOM 3 C GLY A 1 12.996 0.045 -0.298 1.00 91.72 C +ATOM 4 O GLY A 1 12.834 0.226 0.906 1.00 90.33 O +ATOM 5 N PRO A 2 12.324 0.679 -1.194 1.00 92.03 N +ATOM 6 CA PRO A 2 11.340 1.674 -0.826 1.00 92.39 C +ATOM 7 C PRO A 2 10.064 1.035 -0.317 1.00 92.31 C +ATOM 8 O PRO A 2 9.853 -0.166 -0.456 1.00 90.37 O +ATOM 9 CB PRO A 2 11.107 2.415 -2.141 1.00 89.44 C +ATOM 10 CG PRO A 2 11.324 1.360 -3.165 1.00 86.53 C +ATOM 11 CD PRO A 2 12.458 0.531 -2.637 1.00 89.10 C +HETATM 12 N HYP A 3 9.239 1.882 0.283 1.00 92.95 N +HETATM 13 CA HYP A 3 7.952 1.373 0.728 1.00 92.15 C +HETATM 14 C HYP A 3 7.122 0.863 -0.426 1.00 94.49 C +HETATM 15 O HYP A 3 7.227 1.424 -1.557 1.00 93.93 O +HETATM 16 CB HYP A 3 7.258 2.656 1.310 1.00 90.29 C +HETATM 17 CG HYP A 3 8.396 3.556 1.711 1.00 86.97 C +HETATM 18 CD HYP A 3 9.465 3.266 0.603 1.00 91.22 C +HETATM 19 OD1 HYP A 3 8.894 3.106 2.941 1.00 89.53 O +ATOM 20 N GLY A 4 6.425 -0.202 -0.182 1.00 94.20 N +ATOM 21 CA GLY A 4 5.570 -0.746 -1.204 1.00 93.78 C +ATOM 22 C GLY A 4 4.416 0.196 -1.496 1.00 94.51 C +ATOM 23 O GLY A 4 4.168 1.150 -0.760 1.00 94.53 O +ATOM 24 N PRO A 5 3.713 -0.059 -2.585 1.00 92.70 N +ATOM 25 CA PRO A 5 2.585 0.789 -2.942 1.00 92.56 C +ATOM 26 C PRO A 5 1.423 0.595 -1.985 1.00 92.34 C +ATOM 27 O PRO A 5 1.365 -0.380 -1.243 1.00 91.11 O +ATOM 28 CB PRO A 5 2.234 0.325 -4.355 1.00 90.92 C +ATOM 29 CG PRO A 5 2.642 -1.106 -4.359 1.00 89.60 C +ATOM 30 CD PRO A 5 3.894 -1.154 -3.527 1.00 91.91 C +HETATM 31 N HYP A 6 0.524 1.585 -2.013 1.00 91.86 N +HETATM 32 CA HYP A 6 -0.677 1.421 -1.219 1.00 94.56 C +HETATM 33 C HYP A 6 -1.413 0.189 -1.594 1.00 92.89 C +HETATM 34 O HYP A 6 -1.387 -0.230 -2.785 1.00 93.54 O +HETATM 35 CB HYP A 6 -1.487 2.698 -1.589 1.00 90.33 C +HETATM 36 CG HYP A 6 -0.466 3.700 -2.014 1.00 88.40 C +HETATM 37 CD HYP A 6 0.546 2.831 -2.734 1.00 90.91 C +HETATM 38 OD1 HYP A 6 0.130 4.277 -0.883 1.00 88.22 O +ATOM 39 N GLY A 7 -1.989 -0.459 -0.610 1.00 93.80 N +ATOM 40 CA GLY A 7 -2.764 -1.642 -0.861 1.00 93.46 C +ATOM 41 C GLY A 7 -3.946 -1.324 -1.758 1.00 94.42 C +ATOM 42 O GLY A 7 -4.307 -0.165 -1.954 1.00 94.25 O +ATOM 43 N PRO A 8 -4.548 -2.350 -2.307 1.00 94.10 N +ATOM 44 CA PRO A 8 -5.691 -2.127 -3.181 1.00 94.16 C +ATOM 45 C PRO A 8 -6.896 -1.652 -2.392 1.00 94.23 C +ATOM 46 O PRO A 8 -6.987 -1.844 -1.187 1.00 92.94 O +ATOM 47 CB PRO A 8 -5.932 -3.499 -3.805 1.00 92.64 C +ATOM 48 CG PRO A 8 -5.438 -4.448 -2.768 1.00 91.60 C +ATOM 49 CD PRO A 8 -4.241 -3.769 -2.160 1.00 93.66 C +HETATM 50 N HYP A 9 -7.816 -1.023 -3.101 1.00 92.65 N +HETATM 51 CA HYP A 9 -9.021 -0.619 -2.485 1.00 93.49 C +HETATM 52 C HYP A 9 -9.791 -1.796 -1.979 1.00 93.65 C +HETATM 53 O HYP A 9 -9.832 -2.834 -2.650 1.00 93.38 O +HETATM 54 CB HYP A 9 -9.808 0.056 -3.647 1.00 89.98 C +HETATM 55 CG HYP A 9 -8.775 0.474 -4.632 1.00 87.79 C +HETATM 56 CD HYP A 9 -7.740 -0.575 -4.514 1.00 92.03 C +HETATM 57 OD1 HYP A 9 -8.212 1.710 -4.228 1.00 88.95 O +ATOM 58 N GLY A 10 -10.339 -1.761 -0.803 1.00 93.90 N +ATOM 59 CA GLY A 10 -11.234 -2.782 -0.325 1.00 92.69 C +ATOM 60 C GLY A 10 -12.525 -2.723 -1.116 1.00 93.01 C +ATOM 61 O GLY A 10 -12.704 -1.860 -1.975 1.00 92.38 O +ATOM 62 N PRO A 11 -13.455 -3.616 -0.827 1.00 91.91 N +ATOM 63 CA PRO A 11 -14.725 -3.561 -1.549 1.00 92.08 C +ATOM 64 C PRO A 11 -15.382 -2.189 -1.465 1.00 92.01 C +ATOM 65 O PRO A 11 -15.956 -1.718 -2.446 1.00 90.29 O +ATOM 66 CB PRO A 11 -15.568 -4.630 -0.855 1.00 90.35 C +ATOM 67 CG PRO A 11 -14.551 -5.601 -0.360 1.00 89.86 C +ATOM 68 CD PRO A 11 -13.389 -4.754 0.080 1.00 90.99 C +ATOM 69 N PHE A 12 -15.264 -1.564 -0.312 1.00 92.49 N +ATOM 70 CA PHE A 12 -15.841 -0.241 -0.098 1.00 93.09 C +ATOM 71 C PHE A 12 -14.940 0.661 0.727 1.00 92.87 C +ATOM 72 O PHE A 12 -15.236 1.843 0.886 1.00 91.12 O +ATOM 73 CB PHE A 12 -17.198 -0.380 0.595 1.00 92.07 C +ATOM 74 CG PHE A 12 -18.138 -1.298 -0.127 1.00 88.24 C +ATOM 75 CD1 PHE A 12 -18.792 -0.866 -1.272 1.00 84.96 C +ATOM 76 CD2 PHE A 12 -18.341 -2.600 0.299 1.00 84.72 C +ATOM 77 CE1 PHE A 12 -19.629 -1.715 -1.980 1.00 83.71 C +ATOM 78 CE2 PHE A 12 -19.175 -3.458 -0.401 1.00 85.27 C +ATOM 79 CZ PHE A 12 -19.824 -3.015 -1.542 1.00 84.52 C +ATOM 80 N GLY A 13 -13.871 0.122 1.261 1.00 94.69 N +ATOM 81 CA GLY A 13 -12.988 0.869 2.117 1.00 94.04 C +ATOM 82 C GLY A 13 -11.866 1.558 1.371 1.00 94.94 C +ATOM 83 O GLY A 13 -11.717 1.399 0.158 1.00 94.84 O +ATOM 84 N PRO A 14 -11.061 2.323 2.095 1.00 95.82 N +ATOM 85 CA PRO A 14 -9.954 3.047 1.491 1.00 95.75 C +ATOM 86 C PRO A 14 -8.817 2.114 1.113 1.00 95.82 C +ATOM 87 O PRO A 14 -8.779 0.958 1.524 1.00 95.13 O +ATOM 88 CB PRO A 14 -9.531 4.027 2.586 1.00 94.69 C +ATOM 89 CG PRO A 14 -9.862 3.304 3.842 1.00 93.37 C +ATOM 90 CD PRO A 14 -11.134 2.561 3.543 1.00 94.81 C +HETATM 91 N HYP A 15 -7.883 2.682 0.343 1.00 94.95 N +HETATM 92 CA HYP A 15 -6.700 1.920 0.010 1.00 94.95 C +HETATM 93 C HYP A 15 -5.942 1.529 1.233 1.00 96.17 C +HETATM 94 O HYP A 15 -5.969 2.258 2.254 1.00 94.48 O +HETATM 95 CB HYP A 15 -5.933 2.937 -0.851 1.00 92.78 C +HETATM 96 CG HYP A 15 -6.999 3.858 -1.429 1.00 90.69 C +HETATM 97 CD HYP A 15 -7.965 3.990 -0.279 1.00 93.43 C +HETATM 98 OD1 HYP A 15 -7.631 3.251 -2.520 1.00 90.91 O +ATOM 99 N GLY A 16 -5.285 0.398 1.186 1.00 95.42 N +ATOM 100 CA GLY A 16 -4.472 -0.040 2.287 1.00 95.05 C +ATOM 101 C GLY A 16 -3.261 0.855 2.460 1.00 95.54 C +ATOM 102 O GLY A 16 -2.941 1.669 1.589 1.00 95.21 O +ATOM 103 N PRO A 17 -2.578 0.715 3.583 1.00 94.13 N +ATOM 104 CA PRO A 17 -1.387 1.521 3.835 1.00 93.88 C +ATOM 105 C PRO A 17 -0.243 1.096 2.926 1.00 94.13 C +ATOM 106 O PRO A 17 -0.267 0.012 2.344 1.00 92.91 O +ATOM 107 CB PRO A 17 -1.077 1.253 5.300 1.00 92.37 C +ATOM 108 CG PRO A 17 -1.609 -0.124 5.515 1.00 90.79 C +ATOM 109 CD PRO A 17 -2.854 -0.203 4.685 1.00 92.55 C +HETATM 110 N HYP A 18 0.757 1.991 2.822 1.00 89.68 N +HETATM 111 CA HYP A 18 1.918 1.606 2.088 1.00 91.09 C +HETATM 112 C HYP A 18 2.543 0.363 2.624 1.00 90.79 C +HETATM 113 O HYP A 18 2.505 0.119 3.847 1.00 92.03 O +HETATM 114 CB HYP A 18 2.831 2.821 2.263 1.00 87.99 C +HETATM 115 CG HYP A 18 1.919 3.982 2.530 1.00 87.26 C +HETATM 116 CD HYP A 18 0.828 3.331 3.354 1.00 90.78 C +HETATM 117 OD1 HYP A 18 1.363 4.456 1.314 1.00 86.86 O +ATOM 118 N GLY A 19 3.072 -0.454 1.744 1.00 90.53 N +ATOM 119 CA GLY A 19 3.753 -1.651 2.157 1.00 90.19 C +ATOM 120 C GLY A 19 5.023 -1.306 2.916 1.00 90.90 C +ATOM 121 O GLY A 19 5.495 -0.171 2.887 1.00 91.73 O +ATOM 122 N PRO A 20 5.592 -2.285 3.596 1.00 89.82 N +ATOM 123 CA PRO A 20 6.819 -2.040 4.334 1.00 89.99 C +ATOM 124 C PRO A 20 7.999 -1.854 3.392 1.00 89.60 C +ATOM 125 O PRO A 20 7.938 -2.225 2.223 1.00 89.31 O +ATOM 126 CB PRO A 20 6.969 -3.298 5.185 1.00 87.43 C +ATOM 127 CG PRO A 20 6.305 -4.346 4.366 1.00 85.69 C +ATOM 128 CD PRO A 20 5.136 -3.661 3.717 1.00 88.97 C +HETATM 129 N HYP A 21 9.056 -1.255 3.926 1.00 89.35 N +HETATM 130 CA HYP A 21 10.260 -1.139 3.140 1.00 92.49 C +HETATM 131 C HYP A 21 10.786 -2.465 2.669 1.00 91.28 C +HETATM 132 O HYP A 21 10.674 -3.455 3.401 1.00 93.14 O +HETATM 133 CB HYP A 21 11.238 -0.437 4.082 1.00 88.54 C +HETATM 134 CG HYP A 21 10.386 0.314 5.082 1.00 84.65 C +HETATM 135 CD HYP A 21 9.186 -0.598 5.236 1.00 90.36 C +HETATM 136 OD1 HYP A 21 9.942 1.538 4.513 1.00 85.49 O +ATOM 137 N GLY A 22 11.274 -2.516 1.471 1.00 90.24 N +ATOM 138 CA GLY A 22 11.865 -3.711 0.948 1.00 88.86 C +ATOM 139 C GLY A 22 13.190 -4.002 1.647 1.00 88.60 C +ATOM 140 O GLY A 22 13.665 -3.200 2.453 1.00 89.15 O +ATOM 141 N PRO A 23 13.827 -5.121 1.346 1.00 91.84 N +ATOM 142 CA PRO A 23 15.106 -5.448 1.959 1.00 91.17 C +ATOM 143 C PRO A 23 16.196 -4.548 1.384 1.00 89.20 C +ATOM 144 O PRO A 23 16.677 -4.778 0.281 1.00 85.84 O +ATOM 145 CB PRO A 23 15.309 -6.913 1.589 1.00 88.37 C +ATOM 146 CG PRO A 23 14.554 -7.077 0.327 1.00 86.19 C +ATOM 147 CD PRO A 23 13.368 -6.151 0.432 1.00 89.65 C +HETATM 148 N HYP A 24 16.531 -3.483 1.954 1.00 93.65 N +HETATM 149 CA HYP A 24 17.184 -2.283 1.307 1.00 89.34 C +HETATM 150 C HYP A 24 16.404 -1.477 0.457 1.00 93.87 C +HETATM 151 O HYP A 24 16.836 -1.427 -0.793 1.00 92.57 O +HETATM 152 CB HYP A 24 17.860 -1.584 2.478 1.00 87.42 C +HETATM 153 CG HYP A 24 17.725 -2.491 3.716 1.00 85.67 C +HETATM 154 CD HYP A 24 17.020 -3.760 3.219 1.00 91.05 C +HETATM 155 OD1 HYP A 24 18.987 -2.857 4.206 1.00 88.17 O +HETATM 156 OXT HYP A 24 16.141 -0.120 0.802 1.00 87.05 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_354.txt b/protein_pdb_354.txt new file mode 100644 index 0000000000000000000000000000000000000000..6e21b1e0bb2ba9511d2e9d50e87cd9c61dfd2f6a --- /dev/null +++ b/protein_pdb_354.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 14.889 -1.445 0.193 1.00 89.84 N +ATOM 2 CA GLY A 1 14.002 -0.960 -0.812 1.00 90.74 C +ATOM 3 C GLY A 1 12.996 0.045 -0.298 1.00 91.72 C +ATOM 4 O GLY A 1 12.834 0.226 0.906 1.00 90.33 O +ATOM 5 N PRO A 2 12.324 0.679 -1.194 1.00 92.03 N +ATOM 6 CA PRO A 2 11.340 1.674 -0.826 1.00 92.39 C +ATOM 7 C PRO A 2 10.064 1.035 -0.317 1.00 92.31 C +ATOM 8 O PRO A 2 9.853 -0.166 -0.456 1.00 90.37 O +ATOM 9 CB PRO A 2 11.107 2.415 -2.141 1.00 89.44 C +ATOM 10 CG PRO A 2 11.324 1.360 -3.165 1.00 86.53 C +ATOM 11 CD PRO A 2 12.458 0.531 -2.637 1.00 89.10 C +HETATM 12 N HYP A 3 9.239 1.882 0.283 1.00 92.95 N +HETATM 13 CA HYP A 3 7.952 1.373 0.728 1.00 92.15 C +HETATM 14 C HYP A 3 7.122 0.863 -0.426 1.00 94.49 C +HETATM 15 O HYP A 3 7.227 1.424 -1.557 1.00 93.93 O +HETATM 16 CB HYP A 3 7.258 2.656 1.310 1.00 90.29 C +HETATM 17 CG HYP A 3 8.396 3.556 1.711 1.00 86.97 C +HETATM 18 CD HYP A 3 9.465 3.266 0.603 1.00 91.22 C +HETATM 19 OD1 HYP A 3 8.894 3.106 2.941 1.00 89.53 O +ATOM 20 N GLY A 4 6.425 -0.202 -0.182 1.00 94.20 N +ATOM 21 CA GLY A 4 5.570 -0.746 -1.204 1.00 93.78 C +ATOM 22 C GLY A 4 4.416 0.196 -1.496 1.00 94.51 C +ATOM 23 O GLY A 4 4.168 1.150 -0.760 1.00 94.53 O +ATOM 24 N PRO A 5 3.713 -0.059 -2.585 1.00 92.70 N +ATOM 25 CA PRO A 5 2.585 0.789 -2.942 1.00 92.56 C +ATOM 26 C PRO A 5 1.423 0.595 -1.985 1.00 92.34 C +ATOM 27 O PRO A 5 1.365 -0.380 -1.243 1.00 91.11 O +ATOM 28 CB PRO A 5 2.234 0.325 -4.355 1.00 90.92 C +ATOM 29 CG PRO A 5 2.642 -1.106 -4.359 1.00 89.60 C +ATOM 30 CD PRO A 5 3.894 -1.154 -3.527 1.00 91.91 C +HETATM 31 N HYP A 6 0.524 1.585 -2.013 1.00 91.86 N +HETATM 32 CA HYP A 6 -0.677 1.421 -1.219 1.00 94.56 C +HETATM 33 C HYP A 6 -1.413 0.189 -1.594 1.00 92.89 C +HETATM 34 O HYP A 6 -1.387 -0.230 -2.785 1.00 93.54 O +HETATM 35 CB HYP A 6 -1.487 2.698 -1.589 1.00 90.33 C +HETATM 36 CG HYP A 6 -0.466 3.700 -2.014 1.00 88.40 C +HETATM 37 CD HYP A 6 0.546 2.831 -2.734 1.00 90.91 C +HETATM 38 OD1 HYP A 6 0.130 4.277 -0.883 1.00 88.22 O +ATOM 39 N GLY A 7 -1.989 -0.459 -0.610 1.00 93.80 N +ATOM 40 CA GLY A 7 -2.764 -1.642 -0.861 1.00 93.46 C +ATOM 41 C GLY A 7 -3.946 -1.324 -1.758 1.00 94.42 C +ATOM 42 O GLY A 7 -4.307 -0.165 -1.954 1.00 94.25 O +ATOM 43 N PRO A 8 -4.548 -2.350 -2.307 1.00 94.10 N +ATOM 44 CA PRO A 8 -5.691 -2.127 -3.181 1.00 94.16 C +ATOM 45 C PRO A 8 -6.896 -1.652 -2.392 1.00 94.23 C +ATOM 46 O PRO A 8 -6.987 -1.844 -1.187 1.00 92.94 O +ATOM 47 CB PRO A 8 -5.932 -3.499 -3.805 1.00 92.64 C +ATOM 48 CG PRO A 8 -5.438 -4.448 -2.768 1.00 91.60 C +ATOM 49 CD PRO A 8 -4.241 -3.769 -2.160 1.00 93.66 C +HETATM 50 N HYP A 9 -7.816 -1.023 -3.101 1.00 92.65 N +HETATM 51 CA HYP A 9 -9.021 -0.619 -2.485 1.00 93.49 C +HETATM 52 C HYP A 9 -9.791 -1.796 -1.979 1.00 93.65 C +HETATM 53 O HYP A 9 -9.832 -2.834 -2.650 1.00 93.38 O +HETATM 54 CB HYP A 9 -9.808 0.056 -3.647 1.00 89.98 C +HETATM 55 CG HYP A 9 -8.775 0.474 -4.632 1.00 87.79 C +HETATM 56 CD HYP A 9 -7.740 -0.575 -4.514 1.00 92.03 C +HETATM 57 OD1 HYP A 9 -8.212 1.710 -4.228 1.00 88.95 O +ATOM 58 N GLY A 10 -10.339 -1.761 -0.803 1.00 93.90 N +ATOM 59 CA GLY A 10 -11.234 -2.782 -0.325 1.00 92.69 C +ATOM 60 C GLY A 10 -12.525 -2.723 -1.116 1.00 93.01 C +ATOM 61 O GLY A 10 -12.704 -1.860 -1.975 1.00 92.38 O +ATOM 62 N PRO A 11 -13.455 -3.616 -0.827 1.00 91.91 N +ATOM 63 CA PRO A 11 -14.725 -3.561 -1.549 1.00 92.08 C +ATOM 64 C PRO A 11 -15.382 -2.189 -1.465 1.00 92.01 C +ATOM 65 O PRO A 11 -15.956 -1.718 -2.446 1.00 90.29 O +ATOM 66 CB PRO A 11 -15.568 -4.630 -0.855 1.00 90.35 C +ATOM 67 CG PRO A 11 -14.551 -5.601 -0.360 1.00 89.86 C +ATOM 68 CD PRO A 11 -13.389 -4.754 0.080 1.00 90.99 C +ATOM 69 N PHE A 12 -15.264 -1.564 -0.312 1.00 92.49 N +ATOM 70 CA PHE A 12 -15.841 -0.241 -0.098 1.00 93.09 C +ATOM 71 C PHE A 12 -14.940 0.661 0.727 1.00 92.87 C +ATOM 72 O PHE A 12 -15.236 1.843 0.886 1.00 91.12 O +ATOM 73 CB PHE A 12 -17.198 -0.380 0.595 1.00 92.07 C +ATOM 74 CG PHE A 12 -18.138 -1.298 -0.127 1.00 88.24 C +ATOM 75 CD1 PHE A 12 -18.792 -0.866 -1.272 1.00 84.96 C +ATOM 76 CD2 PHE A 12 -18.341 -2.600 0.299 1.00 84.72 C +ATOM 77 CE1 PHE A 12 -19.629 -1.715 -1.980 1.00 83.71 C +ATOM 78 CE2 PHE A 12 -19.175 -3.458 -0.401 1.00 85.27 C +ATOM 79 CZ PHE A 12 -19.824 -3.015 -1.542 1.00 84.52 C +ATOM 80 N GLY A 13 -13.871 0.122 1.261 1.00 94.69 N +ATOM 81 CA GLY A 13 -12.988 0.869 2.117 1.00 94.04 C +ATOM 82 C GLY A 13 -11.866 1.558 1.371 1.00 94.94 C +ATOM 83 O GLY A 13 -11.717 1.399 0.158 1.00 94.84 O +ATOM 84 N PRO A 14 -11.061 2.323 2.095 1.00 95.82 N +ATOM 85 CA PRO A 14 -9.954 3.047 1.491 1.00 95.75 C +ATOM 86 C PRO A 14 -8.817 2.114 1.113 1.00 95.82 C +ATOM 87 O PRO A 14 -8.779 0.958 1.524 1.00 95.13 O +ATOM 88 CB PRO A 14 -9.531 4.027 2.586 1.00 94.69 C +ATOM 89 CG PRO A 14 -9.862 3.304 3.842 1.00 93.37 C +ATOM 90 CD PRO A 14 -11.134 2.561 3.543 1.00 94.81 C +HETATM 91 N HYP A 15 -7.883 2.682 0.343 1.00 94.95 N +HETATM 92 CA HYP A 15 -6.700 1.920 0.010 1.00 94.95 C +HETATM 93 C HYP A 15 -5.942 1.529 1.233 1.00 96.17 C +HETATM 94 O HYP A 15 -5.969 2.258 2.254 1.00 94.48 O +HETATM 95 CB HYP A 15 -5.933 2.937 -0.851 1.00 92.78 C +HETATM 96 CG HYP A 15 -6.999 3.858 -1.429 1.00 90.69 C +HETATM 97 CD HYP A 15 -7.965 3.990 -0.279 1.00 93.43 C +HETATM 98 OD1 HYP A 15 -7.631 3.251 -2.520 1.00 90.91 O +ATOM 99 N GLY A 16 -5.285 0.398 1.186 1.00 95.42 N +ATOM 100 CA GLY A 16 -4.472 -0.040 2.287 1.00 95.05 C +ATOM 101 C GLY A 16 -3.261 0.855 2.460 1.00 95.54 C +ATOM 102 O GLY A 16 -2.941 1.669 1.589 1.00 95.21 O +ATOM 103 N PRO A 17 -2.578 0.715 3.583 1.00 94.13 N +ATOM 104 CA PRO A 17 -1.387 1.521 3.835 1.00 93.88 C +ATOM 105 C PRO A 17 -0.243 1.096 2.926 1.00 94.13 C +ATOM 106 O PRO A 17 -0.267 0.012 2.344 1.00 92.91 O +ATOM 107 CB PRO A 17 -1.077 1.253 5.300 1.00 92.37 C +ATOM 108 CG PRO A 17 -1.609 -0.124 5.515 1.00 90.79 C +ATOM 109 CD PRO A 17 -2.854 -0.203 4.685 1.00 92.55 C +HETATM 110 N HYP A 18 0.757 1.991 2.822 1.00 89.68 N +HETATM 111 CA HYP A 18 1.918 1.606 2.088 1.00 91.09 C +HETATM 112 C HYP A 18 2.543 0.363 2.624 1.00 90.79 C +HETATM 113 O HYP A 18 2.505 0.119 3.847 1.00 92.03 O +HETATM 114 CB HYP A 18 2.831 2.821 2.263 1.00 87.99 C +HETATM 115 CG HYP A 18 1.919 3.982 2.530 1.00 87.26 C +HETATM 116 CD HYP A 18 0.828 3.331 3.354 1.00 90.78 C +HETATM 117 OD1 HYP A 18 1.363 4.456 1.314 1.00 86.86 O +ATOM 118 N GLY A 19 3.072 -0.454 1.744 1.00 90.53 N +ATOM 119 CA GLY A 19 3.753 -1.651 2.157 1.00 90.19 C +ATOM 120 C GLY A 19 5.023 -1.306 2.916 1.00 90.90 C +ATOM 121 O GLY A 19 5.495 -0.171 2.887 1.00 91.73 O +ATOM 122 N PRO A 20 5.592 -2.285 3.596 1.00 89.82 N +ATOM 123 CA PRO A 20 6.819 -2.040 4.334 1.00 89.99 C +ATOM 124 C PRO A 20 7.999 -1.854 3.392 1.00 89.60 C +ATOM 125 O PRO A 20 7.938 -2.225 2.223 1.00 89.31 O +ATOM 126 CB PRO A 20 6.969 -3.298 5.185 1.00 87.43 C +ATOM 127 CG PRO A 20 6.305 -4.346 4.366 1.00 85.69 C +ATOM 128 CD PRO A 20 5.136 -3.661 3.717 1.00 88.97 C +HETATM 129 N HYP A 21 9.056 -1.255 3.926 1.00 89.35 N +HETATM 130 CA HYP A 21 10.260 -1.139 3.140 1.00 92.49 C +HETATM 131 C HYP A 21 10.786 -2.465 2.669 1.00 91.28 C +HETATM 132 O HYP A 21 10.674 -3.455 3.401 1.00 93.14 O +HETATM 133 CB HYP A 21 11.238 -0.437 4.082 1.00 88.54 C +HETATM 134 CG HYP A 21 10.386 0.314 5.082 1.00 84.65 C +HETATM 135 CD HYP A 21 9.186 -0.598 5.236 1.00 90.36 C +HETATM 136 OD1 HYP A 21 9.942 1.538 4.513 1.00 85.49 O +ATOM 137 N GLY A 22 11.274 -2.516 1.471 1.00 90.24 N +ATOM 138 CA GLY A 22 11.865 -3.711 0.948 1.00 88.86 C +ATOM 139 C GLY A 22 13.190 -4.002 1.647 1.00 88.60 C +ATOM 140 O GLY A 22 13.665 -3.200 2.453 1.00 89.15 O +ATOM 141 N PRO A 23 13.827 -5.121 1.346 1.00 91.84 N +ATOM 142 CA PRO A 23 15.106 -5.448 1.959 1.00 91.17 C +ATOM 143 C PRO A 23 16.196 -4.548 1.384 1.00 89.20 C +ATOM 144 O PRO A 23 16.677 -4.778 0.281 1.00 85.84 O +ATOM 145 CB PRO A 23 15.309 -6.913 1.589 1.00 88.37 C +ATOM 146 CG PRO A 23 14.554 -7.077 0.327 1.00 86.19 C +ATOM 147 CD PRO A 23 13.368 -6.151 0.432 1.00 89.65 C +HETATM 148 N HYP A 24 16.531 -3.483 1.954 1.00 93.65 N +HETATM 149 CA HYP A 24 17.184 -2.283 1.307 1.00 89.34 C +HETATM 150 C HYP A 24 16.404 -1.477 0.457 1.00 93.87 C +HETATM 151 O HYP A 24 16.836 -1.427 -0.793 1.00 92.57 O +HETATM 152 CB HYP A 24 17.860 -1.584 2.478 1.00 87.42 C +HETATM 153 CG HYP A 24 17.725 -2.491 3.716 1.00 85.67 C +HETATM 154 CD HYP A 24 17.020 -3.760 3.219 1.00 91.05 C +HETATM 155 OD1 HYP A 24 18.987 -2.857 4.206 1.00 88.17 O +HETATM 156 OXT HYP A 24 16.141 -0.120 0.802 1.00 87.05 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_355.txt b/protein_pdb_355.txt new file mode 100644 index 0000000000000000000000000000000000000000..6e21b1e0bb2ba9511d2e9d50e87cd9c61dfd2f6a --- /dev/null +++ b/protein_pdb_355.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 14.889 -1.445 0.193 1.00 89.84 N +ATOM 2 CA GLY A 1 14.002 -0.960 -0.812 1.00 90.74 C +ATOM 3 C GLY A 1 12.996 0.045 -0.298 1.00 91.72 C +ATOM 4 O GLY A 1 12.834 0.226 0.906 1.00 90.33 O +ATOM 5 N PRO A 2 12.324 0.679 -1.194 1.00 92.03 N +ATOM 6 CA PRO A 2 11.340 1.674 -0.826 1.00 92.39 C +ATOM 7 C PRO A 2 10.064 1.035 -0.317 1.00 92.31 C +ATOM 8 O PRO A 2 9.853 -0.166 -0.456 1.00 90.37 O +ATOM 9 CB PRO A 2 11.107 2.415 -2.141 1.00 89.44 C +ATOM 10 CG PRO A 2 11.324 1.360 -3.165 1.00 86.53 C +ATOM 11 CD PRO A 2 12.458 0.531 -2.637 1.00 89.10 C +HETATM 12 N HYP A 3 9.239 1.882 0.283 1.00 92.95 N +HETATM 13 CA HYP A 3 7.952 1.373 0.728 1.00 92.15 C +HETATM 14 C HYP A 3 7.122 0.863 -0.426 1.00 94.49 C +HETATM 15 O HYP A 3 7.227 1.424 -1.557 1.00 93.93 O +HETATM 16 CB HYP A 3 7.258 2.656 1.310 1.00 90.29 C +HETATM 17 CG HYP A 3 8.396 3.556 1.711 1.00 86.97 C +HETATM 18 CD HYP A 3 9.465 3.266 0.603 1.00 91.22 C +HETATM 19 OD1 HYP A 3 8.894 3.106 2.941 1.00 89.53 O +ATOM 20 N GLY A 4 6.425 -0.202 -0.182 1.00 94.20 N +ATOM 21 CA GLY A 4 5.570 -0.746 -1.204 1.00 93.78 C +ATOM 22 C GLY A 4 4.416 0.196 -1.496 1.00 94.51 C +ATOM 23 O GLY A 4 4.168 1.150 -0.760 1.00 94.53 O +ATOM 24 N PRO A 5 3.713 -0.059 -2.585 1.00 92.70 N +ATOM 25 CA PRO A 5 2.585 0.789 -2.942 1.00 92.56 C +ATOM 26 C PRO A 5 1.423 0.595 -1.985 1.00 92.34 C +ATOM 27 O PRO A 5 1.365 -0.380 -1.243 1.00 91.11 O +ATOM 28 CB PRO A 5 2.234 0.325 -4.355 1.00 90.92 C +ATOM 29 CG PRO A 5 2.642 -1.106 -4.359 1.00 89.60 C +ATOM 30 CD PRO A 5 3.894 -1.154 -3.527 1.00 91.91 C +HETATM 31 N HYP A 6 0.524 1.585 -2.013 1.00 91.86 N +HETATM 32 CA HYP A 6 -0.677 1.421 -1.219 1.00 94.56 C +HETATM 33 C HYP A 6 -1.413 0.189 -1.594 1.00 92.89 C +HETATM 34 O HYP A 6 -1.387 -0.230 -2.785 1.00 93.54 O +HETATM 35 CB HYP A 6 -1.487 2.698 -1.589 1.00 90.33 C +HETATM 36 CG HYP A 6 -0.466 3.700 -2.014 1.00 88.40 C +HETATM 37 CD HYP A 6 0.546 2.831 -2.734 1.00 90.91 C +HETATM 38 OD1 HYP A 6 0.130 4.277 -0.883 1.00 88.22 O +ATOM 39 N GLY A 7 -1.989 -0.459 -0.610 1.00 93.80 N +ATOM 40 CA GLY A 7 -2.764 -1.642 -0.861 1.00 93.46 C +ATOM 41 C GLY A 7 -3.946 -1.324 -1.758 1.00 94.42 C +ATOM 42 O GLY A 7 -4.307 -0.165 -1.954 1.00 94.25 O +ATOM 43 N PRO A 8 -4.548 -2.350 -2.307 1.00 94.10 N +ATOM 44 CA PRO A 8 -5.691 -2.127 -3.181 1.00 94.16 C +ATOM 45 C PRO A 8 -6.896 -1.652 -2.392 1.00 94.23 C +ATOM 46 O PRO A 8 -6.987 -1.844 -1.187 1.00 92.94 O +ATOM 47 CB PRO A 8 -5.932 -3.499 -3.805 1.00 92.64 C +ATOM 48 CG PRO A 8 -5.438 -4.448 -2.768 1.00 91.60 C +ATOM 49 CD PRO A 8 -4.241 -3.769 -2.160 1.00 93.66 C +HETATM 50 N HYP A 9 -7.816 -1.023 -3.101 1.00 92.65 N +HETATM 51 CA HYP A 9 -9.021 -0.619 -2.485 1.00 93.49 C +HETATM 52 C HYP A 9 -9.791 -1.796 -1.979 1.00 93.65 C +HETATM 53 O HYP A 9 -9.832 -2.834 -2.650 1.00 93.38 O +HETATM 54 CB HYP A 9 -9.808 0.056 -3.647 1.00 89.98 C +HETATM 55 CG HYP A 9 -8.775 0.474 -4.632 1.00 87.79 C +HETATM 56 CD HYP A 9 -7.740 -0.575 -4.514 1.00 92.03 C +HETATM 57 OD1 HYP A 9 -8.212 1.710 -4.228 1.00 88.95 O +ATOM 58 N GLY A 10 -10.339 -1.761 -0.803 1.00 93.90 N +ATOM 59 CA GLY A 10 -11.234 -2.782 -0.325 1.00 92.69 C +ATOM 60 C GLY A 10 -12.525 -2.723 -1.116 1.00 93.01 C +ATOM 61 O GLY A 10 -12.704 -1.860 -1.975 1.00 92.38 O +ATOM 62 N PRO A 11 -13.455 -3.616 -0.827 1.00 91.91 N +ATOM 63 CA PRO A 11 -14.725 -3.561 -1.549 1.00 92.08 C +ATOM 64 C PRO A 11 -15.382 -2.189 -1.465 1.00 92.01 C +ATOM 65 O PRO A 11 -15.956 -1.718 -2.446 1.00 90.29 O +ATOM 66 CB PRO A 11 -15.568 -4.630 -0.855 1.00 90.35 C +ATOM 67 CG PRO A 11 -14.551 -5.601 -0.360 1.00 89.86 C +ATOM 68 CD PRO A 11 -13.389 -4.754 0.080 1.00 90.99 C +ATOM 69 N PHE A 12 -15.264 -1.564 -0.312 1.00 92.49 N +ATOM 70 CA PHE A 12 -15.841 -0.241 -0.098 1.00 93.09 C +ATOM 71 C PHE A 12 -14.940 0.661 0.727 1.00 92.87 C +ATOM 72 O PHE A 12 -15.236 1.843 0.886 1.00 91.12 O +ATOM 73 CB PHE A 12 -17.198 -0.380 0.595 1.00 92.07 C +ATOM 74 CG PHE A 12 -18.138 -1.298 -0.127 1.00 88.24 C +ATOM 75 CD1 PHE A 12 -18.792 -0.866 -1.272 1.00 84.96 C +ATOM 76 CD2 PHE A 12 -18.341 -2.600 0.299 1.00 84.72 C +ATOM 77 CE1 PHE A 12 -19.629 -1.715 -1.980 1.00 83.71 C +ATOM 78 CE2 PHE A 12 -19.175 -3.458 -0.401 1.00 85.27 C +ATOM 79 CZ PHE A 12 -19.824 -3.015 -1.542 1.00 84.52 C +ATOM 80 N GLY A 13 -13.871 0.122 1.261 1.00 94.69 N +ATOM 81 CA GLY A 13 -12.988 0.869 2.117 1.00 94.04 C +ATOM 82 C GLY A 13 -11.866 1.558 1.371 1.00 94.94 C +ATOM 83 O GLY A 13 -11.717 1.399 0.158 1.00 94.84 O +ATOM 84 N PRO A 14 -11.061 2.323 2.095 1.00 95.82 N +ATOM 85 CA PRO A 14 -9.954 3.047 1.491 1.00 95.75 C +ATOM 86 C PRO A 14 -8.817 2.114 1.113 1.00 95.82 C +ATOM 87 O PRO A 14 -8.779 0.958 1.524 1.00 95.13 O +ATOM 88 CB PRO A 14 -9.531 4.027 2.586 1.00 94.69 C +ATOM 89 CG PRO A 14 -9.862 3.304 3.842 1.00 93.37 C +ATOM 90 CD PRO A 14 -11.134 2.561 3.543 1.00 94.81 C +HETATM 91 N HYP A 15 -7.883 2.682 0.343 1.00 94.95 N +HETATM 92 CA HYP A 15 -6.700 1.920 0.010 1.00 94.95 C +HETATM 93 C HYP A 15 -5.942 1.529 1.233 1.00 96.17 C +HETATM 94 O HYP A 15 -5.969 2.258 2.254 1.00 94.48 O +HETATM 95 CB HYP A 15 -5.933 2.937 -0.851 1.00 92.78 C +HETATM 96 CG HYP A 15 -6.999 3.858 -1.429 1.00 90.69 C +HETATM 97 CD HYP A 15 -7.965 3.990 -0.279 1.00 93.43 C +HETATM 98 OD1 HYP A 15 -7.631 3.251 -2.520 1.00 90.91 O +ATOM 99 N GLY A 16 -5.285 0.398 1.186 1.00 95.42 N +ATOM 100 CA GLY A 16 -4.472 -0.040 2.287 1.00 95.05 C +ATOM 101 C GLY A 16 -3.261 0.855 2.460 1.00 95.54 C +ATOM 102 O GLY A 16 -2.941 1.669 1.589 1.00 95.21 O +ATOM 103 N PRO A 17 -2.578 0.715 3.583 1.00 94.13 N +ATOM 104 CA PRO A 17 -1.387 1.521 3.835 1.00 93.88 C +ATOM 105 C PRO A 17 -0.243 1.096 2.926 1.00 94.13 C +ATOM 106 O PRO A 17 -0.267 0.012 2.344 1.00 92.91 O +ATOM 107 CB PRO A 17 -1.077 1.253 5.300 1.00 92.37 C +ATOM 108 CG PRO A 17 -1.609 -0.124 5.515 1.00 90.79 C +ATOM 109 CD PRO A 17 -2.854 -0.203 4.685 1.00 92.55 C +HETATM 110 N HYP A 18 0.757 1.991 2.822 1.00 89.68 N +HETATM 111 CA HYP A 18 1.918 1.606 2.088 1.00 91.09 C +HETATM 112 C HYP A 18 2.543 0.363 2.624 1.00 90.79 C +HETATM 113 O HYP A 18 2.505 0.119 3.847 1.00 92.03 O +HETATM 114 CB HYP A 18 2.831 2.821 2.263 1.00 87.99 C +HETATM 115 CG HYP A 18 1.919 3.982 2.530 1.00 87.26 C +HETATM 116 CD HYP A 18 0.828 3.331 3.354 1.00 90.78 C +HETATM 117 OD1 HYP A 18 1.363 4.456 1.314 1.00 86.86 O +ATOM 118 N GLY A 19 3.072 -0.454 1.744 1.00 90.53 N +ATOM 119 CA GLY A 19 3.753 -1.651 2.157 1.00 90.19 C +ATOM 120 C GLY A 19 5.023 -1.306 2.916 1.00 90.90 C +ATOM 121 O GLY A 19 5.495 -0.171 2.887 1.00 91.73 O +ATOM 122 N PRO A 20 5.592 -2.285 3.596 1.00 89.82 N +ATOM 123 CA PRO A 20 6.819 -2.040 4.334 1.00 89.99 C +ATOM 124 C PRO A 20 7.999 -1.854 3.392 1.00 89.60 C +ATOM 125 O PRO A 20 7.938 -2.225 2.223 1.00 89.31 O +ATOM 126 CB PRO A 20 6.969 -3.298 5.185 1.00 87.43 C +ATOM 127 CG PRO A 20 6.305 -4.346 4.366 1.00 85.69 C +ATOM 128 CD PRO A 20 5.136 -3.661 3.717 1.00 88.97 C +HETATM 129 N HYP A 21 9.056 -1.255 3.926 1.00 89.35 N +HETATM 130 CA HYP A 21 10.260 -1.139 3.140 1.00 92.49 C +HETATM 131 C HYP A 21 10.786 -2.465 2.669 1.00 91.28 C +HETATM 132 O HYP A 21 10.674 -3.455 3.401 1.00 93.14 O +HETATM 133 CB HYP A 21 11.238 -0.437 4.082 1.00 88.54 C +HETATM 134 CG HYP A 21 10.386 0.314 5.082 1.00 84.65 C +HETATM 135 CD HYP A 21 9.186 -0.598 5.236 1.00 90.36 C +HETATM 136 OD1 HYP A 21 9.942 1.538 4.513 1.00 85.49 O +ATOM 137 N GLY A 22 11.274 -2.516 1.471 1.00 90.24 N +ATOM 138 CA GLY A 22 11.865 -3.711 0.948 1.00 88.86 C +ATOM 139 C GLY A 22 13.190 -4.002 1.647 1.00 88.60 C +ATOM 140 O GLY A 22 13.665 -3.200 2.453 1.00 89.15 O +ATOM 141 N PRO A 23 13.827 -5.121 1.346 1.00 91.84 N +ATOM 142 CA PRO A 23 15.106 -5.448 1.959 1.00 91.17 C +ATOM 143 C PRO A 23 16.196 -4.548 1.384 1.00 89.20 C +ATOM 144 O PRO A 23 16.677 -4.778 0.281 1.00 85.84 O +ATOM 145 CB PRO A 23 15.309 -6.913 1.589 1.00 88.37 C +ATOM 146 CG PRO A 23 14.554 -7.077 0.327 1.00 86.19 C +ATOM 147 CD PRO A 23 13.368 -6.151 0.432 1.00 89.65 C +HETATM 148 N HYP A 24 16.531 -3.483 1.954 1.00 93.65 N +HETATM 149 CA HYP A 24 17.184 -2.283 1.307 1.00 89.34 C +HETATM 150 C HYP A 24 16.404 -1.477 0.457 1.00 93.87 C +HETATM 151 O HYP A 24 16.836 -1.427 -0.793 1.00 92.57 O +HETATM 152 CB HYP A 24 17.860 -1.584 2.478 1.00 87.42 C +HETATM 153 CG HYP A 24 17.725 -2.491 3.716 1.00 85.67 C +HETATM 154 CD HYP A 24 17.020 -3.760 3.219 1.00 91.05 C +HETATM 155 OD1 HYP A 24 18.987 -2.857 4.206 1.00 88.17 O +HETATM 156 OXT HYP A 24 16.141 -0.120 0.802 1.00 87.05 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_356.txt b/protein_pdb_356.txt new file mode 100644 index 0000000000000000000000000000000000000000..070fb0d480f1d148a38c4f96c2da74c3bfe846a9 --- /dev/null +++ b/protein_pdb_356.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 -7.432 15.077 -1.134 1.00 88.53 N +ATOM 2 CA GLY A 1 -7.914 13.894 -1.789 1.00 89.44 C +ATOM 3 C GLY A 1 -8.106 12.747 -0.825 1.00 90.14 C +ATOM 4 O GLY A 1 -7.746 12.843 0.343 1.00 88.23 O +ATOM 5 N PRO A 2 -8.595 11.656 -1.286 1.00 90.73 N +ATOM 6 CA PRO A 2 -8.841 10.494 -0.444 1.00 91.48 C +ATOM 7 C PRO A 2 -7.553 9.752 -0.127 1.00 91.63 C +ATOM 8 O PRO A 2 -6.538 9.922 -0.786 1.00 90.05 O +ATOM 9 CB PRO A 2 -9.779 9.648 -1.291 1.00 88.60 C +ATOM 10 CG PRO A 2 -9.413 9.992 -2.689 1.00 84.31 C +ATOM 11 CD PRO A 2 -9.052 11.448 -2.660 1.00 86.11 C +HETATM 12 N HYP A 3 -7.637 8.925 0.893 1.00 91.66 N +HETATM 13 CA HYP A 3 -6.500 8.078 1.241 1.00 86.19 C +HETATM 14 C HYP A 3 -6.165 7.092 0.118 1.00 90.28 C +HETATM 15 O HYP A 3 -7.079 6.685 -0.645 1.00 93.54 O +HETATM 16 CB HYP A 3 -7.059 7.299 2.485 1.00 89.20 C +HETATM 17 CG HYP A 3 -8.094 8.239 3.066 1.00 86.66 C +HETATM 18 CD HYP A 3 -8.740 8.862 1.804 1.00 89.88 C +HETATM 19 OD1 HYP A 3 -7.444 9.249 3.797 1.00 88.50 O +ATOM 20 N GLY A 4 -4.914 6.788 -0.027 1.00 93.52 N +ATOM 21 CA GLY A 4 -4.497 5.839 -1.019 1.00 93.08 C +ATOM 22 C GLY A 4 -4.973 4.438 -0.688 1.00 93.42 C +ATOM 23 O GLY A 4 -5.506 4.180 0.390 1.00 93.86 O +ATOM 24 N PRO A 5 -4.773 3.514 -1.621 1.00 93.11 N +ATOM 25 CA PRO A 5 -5.191 2.136 -1.395 1.00 92.76 C +ATOM 26 C PRO A 5 -4.296 1.450 -0.376 1.00 92.81 C +ATOM 27 O PRO A 5 -3.194 1.896 -0.092 1.00 92.25 O +ATOM 28 CB PRO A 5 -5.055 1.501 -2.775 1.00 91.04 C +ATOM 29 CG PRO A 5 -3.966 2.286 -3.418 1.00 89.38 C +ATOM 30 CD PRO A 5 -4.122 3.691 -2.916 1.00 91.76 C +HETATM 31 N HYP A 6 -4.807 0.331 0.165 1.00 93.36 N +HETATM 32 CA HYP A 6 -4.013 -0.462 1.057 1.00 93.29 C +HETATM 33 C HYP A 6 -2.740 -0.958 0.403 1.00 94.17 C +HETATM 34 O HYP A 6 -2.724 -1.203 -0.843 1.00 93.68 O +HETATM 35 CB HYP A 6 -4.948 -1.642 1.408 1.00 90.71 C +HETATM 36 CG HYP A 6 -6.337 -1.088 1.217 1.00 90.65 C +HETATM 37 CD HYP A 6 -6.167 -0.165 -0.006 1.00 91.86 C +HETATM 38 OD1 HYP A 6 -6.698 -0.317 2.342 1.00 89.93 O +ATOM 39 N GLY A 7 -1.683 -1.046 1.143 1.00 91.92 N +ATOM 40 CA GLY A 7 -0.448 -1.566 0.632 1.00 90.99 C +ATOM 41 C GLY A 7 -0.558 -3.037 0.285 1.00 91.54 C +ATOM 42 O GLY A 7 -1.545 -3.699 0.596 1.00 91.56 O +ATOM 43 N PRO A 8 0.474 -3.561 -0.363 1.00 92.30 N +ATOM 44 CA PRO A 8 0.451 -4.964 -0.742 1.00 91.89 C +ATOM 45 C PRO A 8 0.595 -5.875 0.471 1.00 92.31 C +ATOM 46 O PRO A 8 1.097 -5.475 1.513 1.00 90.63 O +ATOM 47 CB PRO A 8 1.638 -5.098 -1.688 1.00 89.35 C +ATOM 48 CG PRO A 8 2.557 -4.010 -1.275 1.00 88.06 C +ATOM 49 CD PRO A 8 1.691 -2.888 -0.786 1.00 90.02 C +HETATM 50 N HYP A 9 0.150 -7.133 0.308 1.00 92.85 N +HETATM 51 CA HYP A 9 0.275 -8.084 1.347 1.00 92.15 C +HETATM 52 C HYP A 9 1.707 -8.410 1.658 1.00 93.35 C +HETATM 53 O HYP A 9 2.559 -8.389 0.756 1.00 92.00 O +HETATM 54 CB HYP A 9 -0.392 -9.381 0.760 1.00 89.44 C +HETATM 55 CG HYP A 9 -1.293 -8.891 -0.300 1.00 89.40 C +HETATM 56 CD HYP A 9 -0.617 -7.666 -0.846 1.00 91.80 C +HETATM 57 OD1 HYP A 9 -2.520 -8.514 0.298 1.00 86.72 O +ATOM 58 N GLY A 10 2.062 -8.634 2.891 1.00 91.30 N +ATOM 59 CA GLY A 10 3.338 -9.211 3.239 1.00 89.07 C +ATOM 60 C GLY A 10 3.373 -10.662 2.796 1.00 89.60 C +ATOM 61 O GLY A 10 2.437 -11.175 2.184 1.00 89.63 O +ATOM 62 N TYR A 11 4.474 -11.346 3.110 1.00 92.79 N +ATOM 63 CA TYR A 11 4.587 -12.728 2.660 1.00 93.53 C +ATOM 64 C TYR A 11 3.426 -13.589 3.144 1.00 93.54 C +ATOM 65 O TYR A 11 2.948 -14.448 2.409 1.00 91.72 O +ATOM 66 CB TYR A 11 5.917 -13.323 3.113 1.00 92.87 C +ATOM 67 CG TYR A 11 7.101 -12.681 2.428 1.00 89.05 C +ATOM 68 CD1 TYR A 11 7.205 -12.688 1.050 1.00 86.99 C +ATOM 69 CD2 TYR A 11 8.109 -12.068 3.162 1.00 85.66 C +ATOM 70 CE1 TYR A 11 8.295 -12.091 0.415 1.00 83.98 C +ATOM 71 CE2 TYR A 11 9.190 -11.468 2.534 1.00 83.94 C +ATOM 72 CZ TYR A 11 9.283 -11.494 1.164 1.00 84.55 C +ATOM 73 OH TYR A 11 10.349 -10.911 0.539 1.00 85.34 O +ATOM 74 N GLN A 12 2.983 -13.365 4.361 1.00 93.06 N +ATOM 75 CA GLN A 12 1.787 -14.029 4.884 1.00 93.40 C +ATOM 76 C GLN A 12 0.917 -13.045 5.652 1.00 93.42 C +ATOM 77 O GLN A 12 0.069 -13.444 6.436 1.00 89.46 O +ATOM 78 CB GLN A 12 2.173 -15.212 5.765 1.00 91.42 C +ATOM 79 CG GLN A 12 2.798 -16.345 4.974 1.00 87.75 C +ATOM 80 CD GLN A 12 3.102 -17.564 5.823 1.00 82.39 C +ATOM 81 OE1 GLN A 12 3.391 -17.433 6.999 1.00 75.48 O +ATOM 82 NE2 GLN A 12 3.036 -18.732 5.221 1.00 74.19 N +ATOM 83 N GLY A 13 1.127 -11.773 5.417 1.00 95.49 N +ATOM 84 CA GLY A 13 0.461 -10.742 6.183 1.00 94.68 C +ATOM 85 C GLY A 13 -0.651 -10.060 5.422 1.00 94.80 C +ATOM 86 O GLY A 13 -0.814 -10.257 4.219 1.00 94.64 O +ATOM 87 N PRO A 14 -1.414 -9.261 6.128 1.00 94.60 N +ATOM 88 CA PRO A 14 -2.502 -8.525 5.512 1.00 94.37 C +ATOM 89 C PRO A 14 -1.975 -7.367 4.676 1.00 94.52 C +ATOM 90 O PRO A 14 -0.802 -7.028 4.725 1.00 93.11 O +ATOM 91 CB PRO A 14 -3.299 -8.018 6.707 1.00 92.82 C +ATOM 92 CG PRO A 14 -2.272 -7.827 7.758 1.00 91.62 C +ATOM 93 CD PRO A 14 -1.275 -8.938 7.556 1.00 93.06 C +HETATM 94 N HYP A 15 -2.896 -6.799 3.914 1.00 95.45 N +HETATM 95 CA HYP A 15 -2.552 -5.581 3.209 1.00 94.08 C +HETATM 96 C HYP A 15 -2.068 -4.510 4.126 1.00 95.39 C +HETATM 97 O HYP A 15 -2.501 -4.467 5.313 1.00 95.24 O +HETATM 98 CB HYP A 15 -3.902 -5.214 2.550 1.00 91.59 C +HETATM 99 CG HYP A 15 -4.618 -6.529 2.379 1.00 90.86 C +HETATM 100 CD HYP A 15 -4.235 -7.294 3.637 1.00 93.19 C +HETATM 101 OD1 HYP A 15 -4.139 -7.184 1.245 1.00 91.35 O +ATOM 102 N GLY A 16 -1.176 -3.691 3.660 1.00 95.84 N +ATOM 103 CA GLY A 16 -0.707 -2.584 4.444 1.00 95.47 C +ATOM 104 C GLY A 16 -1.793 -1.550 4.656 1.00 95.84 C +ATOM 105 O GLY A 16 -2.891 -1.657 4.107 1.00 95.60 O +ATOM 106 N PRO A 17 -1.476 -0.541 5.456 1.00 94.03 N +ATOM 107 CA PRO A 17 -2.459 0.505 5.714 1.00 93.67 C +ATOM 108 C PRO A 17 -2.692 1.360 4.477 1.00 94.01 C +ATOM 109 O PRO A 17 -1.900 1.358 3.545 1.00 93.00 O +ATOM 110 CB PRO A 17 -1.814 1.318 6.838 1.00 92.13 C +ATOM 111 CG PRO A 17 -0.365 1.080 6.678 1.00 90.83 C +ATOM 112 CD PRO A 17 -0.216 -0.310 6.148 1.00 92.80 C +HETATM 113 N HYP A 18 -3.806 2.074 4.477 1.00 92.58 N +HETATM 114 CA HYP A 18 -4.081 2.995 3.428 1.00 91.17 C +HETATM 115 C HYP A 18 -3.008 4.027 3.256 1.00 93.47 C +HETATM 116 O HYP A 18 -2.355 4.416 4.265 1.00 92.56 O +HETATM 117 CB HYP A 18 -5.398 3.645 3.886 1.00 90.20 C +HETATM 118 CG HYP A 18 -6.055 2.588 4.740 1.00 89.62 C +HETATM 119 CD HYP A 18 -4.873 1.972 5.462 1.00 92.20 C +HETATM 120 OD1 HYP A 18 -6.695 1.622 3.922 1.00 89.92 O +ATOM 121 N GLY A 19 -2.753 4.420 2.062 1.00 91.03 N +ATOM 122 CA GLY A 19 -1.793 5.450 1.794 1.00 90.48 C +ATOM 123 C GLY A 19 -2.239 6.782 2.359 1.00 90.74 C +ATOM 124 O GLY A 19 -3.358 6.925 2.855 1.00 91.23 O +ATOM 125 N PRO A 20 -1.353 7.764 2.289 1.00 88.51 N +ATOM 126 CA PRO A 20 -1.684 9.076 2.827 1.00 88.37 C +ATOM 127 C PRO A 20 -2.730 9.777 1.977 1.00 88.61 C +ATOM 128 O PRO A 20 -2.929 9.447 0.813 1.00 88.81 O +ATOM 129 CB PRO A 20 -0.355 9.814 2.776 1.00 86.19 C +ATOM 130 CG PRO A 20 0.376 9.169 1.660 1.00 83.14 C +ATOM 131 CD PRO A 20 -0.028 7.725 1.697 1.00 84.78 C +HETATM 132 N HYP A 21 -3.392 10.731 2.571 1.00 92.95 N +HETATM 133 CA HYP A 21 -4.319 11.535 1.859 1.00 89.47 C +HETATM 134 C HYP A 21 -3.713 12.307 0.722 1.00 91.18 C +HETATM 135 O HYP A 21 -2.532 12.697 0.824 1.00 92.79 O +HETATM 136 CB HYP A 21 -4.858 12.500 2.945 1.00 89.79 C +HETATM 137 CG HYP A 21 -4.642 11.779 4.252 1.00 87.81 C +HETATM 138 CD HYP A 21 -3.344 11.044 4.017 1.00 91.50 C +HETATM 139 OD1 HYP A 21 -5.676 10.811 4.442 1.00 87.12 O +ATOM 140 N GLY A 22 -4.360 12.418 -0.363 1.00 88.32 N +ATOM 141 CA GLY A 22 -3.902 13.261 -1.430 1.00 85.26 C +ATOM 142 C GLY A 22 -4.052 14.721 -1.045 1.00 84.43 C +ATOM 143 O GLY A 22 -4.491 15.045 0.058 1.00 84.96 O +ATOM 144 N PRO A 23 -3.705 15.639 -1.948 1.00 89.72 N +ATOM 145 CA PRO A 23 -3.926 17.051 -1.669 1.00 89.16 C +ATOM 146 C PRO A 23 -5.404 17.304 -1.437 1.00 87.80 C +ATOM 147 O PRO A 23 -6.246 16.647 -2.035 1.00 84.09 O +ATOM 148 CB PRO A 23 -3.450 17.750 -2.943 1.00 85.70 C +ATOM 149 CG PRO A 23 -2.578 16.752 -3.613 1.00 83.32 C +ATOM 150 CD PRO A 23 -3.125 15.412 -3.256 1.00 86.41 C +HETATM 151 N HYP A 24 -5.785 18.147 -0.603 1.00 92.77 N +HETATM 152 CA HYP A 24 -7.216 18.225 -0.277 1.00 87.00 C +HETATM 153 C HYP A 24 -8.067 17.304 -1.016 1.00 91.97 C +HETATM 154 O HYP A 24 -9.267 17.066 -0.730 1.00 88.25 O +HETATM 155 CB HYP A 24 -7.498 19.591 0.027 1.00 87.50 C +HETATM 156 CG HYP A 24 -6.128 20.227 0.334 1.00 88.46 C +HETATM 157 CD HYP A 24 -5.084 19.347 -0.374 1.00 91.03 C +HETATM 158 OD1 HYP A 24 -5.842 20.168 1.735 1.00 86.64 O +HETATM 159 OXT HYP A 24 -7.755 16.969 -2.162 1.00 84.86 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_357.txt b/protein_pdb_357.txt new file mode 100644 index 0000000000000000000000000000000000000000..8dec3a9d78e0b74e82ba189b37ac5ccfcc75fdf7 --- /dev/null +++ b/protein_pdb_357.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 17.945 -28.976 -8.537 1.00 87.34 N +ATOM 2 CA GLY A 1 18.493 -27.643 -8.771 1.00 90.41 C +ATOM 3 C GLY A 1 18.056 -26.663 -7.704 1.00 90.20 C +ATOM 4 O GLY A 1 17.196 -26.981 -6.888 1.00 87.31 O +ATOM 5 N PRO A 2 18.602 -25.450 -7.690 1.00 90.84 N +ATOM 6 CA PRO A 2 18.225 -24.449 -6.695 1.00 92.55 C +ATOM 7 C PRO A 2 16.816 -23.925 -6.935 1.00 92.23 C +ATOM 8 O PRO A 2 16.307 -23.961 -8.049 1.00 91.44 O +ATOM 9 CB PRO A 2 19.267 -23.342 -6.882 1.00 90.59 C +ATOM 10 CG PRO A 2 19.623 -23.458 -8.325 1.00 87.09 C +ATOM 11 CD PRO A 2 19.621 -24.944 -8.600 1.00 88.99 C +HETATM 12 N HYP A 3 16.236 -23.512 -5.952 1.00 90.75 N +HETATM 13 CA HYP A 3 14.877 -22.847 -6.004 1.00 90.48 C +HETATM 14 C HYP A 3 14.857 -21.624 -6.896 1.00 85.68 C +HETATM 15 O HYP A 3 15.866 -20.902 -7.028 1.00 90.17 O +HETATM 16 CB HYP A 3 14.685 -22.438 -4.553 1.00 88.33 C +HETATM 17 CG HYP A 3 15.550 -23.371 -3.730 1.00 87.45 C +HETATM 18 CD HYP A 3 16.784 -23.544 -4.616 1.00 90.28 C +HETATM 19 OD1 HYP A 3 14.942 -24.604 -3.526 1.00 90.95 O +ATOM 20 N GLY A 4 13.726 -21.370 -7.533 1.00 93.81 N +ATOM 21 CA GLY A 4 13.573 -20.206 -8.366 1.00 93.37 C +ATOM 22 C GLY A 4 13.401 -18.952 -7.515 1.00 93.50 C +ATOM 23 O GLY A 4 13.232 -19.036 -6.296 1.00 93.00 O +ATOM 24 N PRO A 5 13.430 -17.777 -8.139 1.00 94.14 N +ATOM 25 CA PRO A 5 13.281 -16.525 -7.398 1.00 94.39 C +ATOM 26 C PRO A 5 11.856 -16.326 -6.907 1.00 94.30 C +ATOM 27 O PRO A 5 10.913 -16.862 -7.483 1.00 93.55 O +ATOM 28 CB PRO A 5 13.679 -15.459 -8.409 1.00 92.25 C +ATOM 29 CG PRO A 5 13.283 -16.067 -9.712 1.00 90.29 C +ATOM 30 CD PRO A 5 13.626 -17.532 -9.565 1.00 92.67 C +HETATM 31 N HYP A 6 11.720 -15.594 -5.857 1.00 85.86 N +HETATM 32 CA HYP A 6 10.365 -15.197 -5.361 1.00 91.65 C +HETATM 33 C HYP A 6 9.585 -14.414 -6.379 1.00 81.05 C +HETATM 34 O HYP A 6 10.167 -13.692 -7.229 1.00 86.86 O +HETATM 35 CB HYP A 6 10.729 -14.306 -4.153 1.00 82.94 C +HETATM 36 CG HYP A 6 12.078 -14.754 -3.691 1.00 82.68 C +HETATM 37 CD HYP A 6 12.766 -15.119 -4.999 1.00 87.74 C +HETATM 38 OD1 HYP A 6 11.986 -15.890 -2.862 1.00 87.96 O +ATOM 39 N GLY A 7 8.251 -14.501 -6.338 1.00 94.43 N +ATOM 40 CA GLY A 7 7.392 -13.769 -7.243 1.00 93.55 C +ATOM 41 C GLY A 7 7.397 -12.280 -6.924 1.00 93.64 C +ATOM 42 O GLY A 7 7.959 -11.852 -5.915 1.00 93.19 O +ATOM 43 N PRO A 8 6.764 -11.481 -7.778 1.00 91.00 N +ATOM 44 CA PRO A 8 6.721 -10.038 -7.560 1.00 91.55 C +ATOM 45 C PRO A 8 5.835 -9.670 -6.378 1.00 90.92 C +ATOM 46 O PRO A 8 4.928 -10.413 -6.017 1.00 89.72 O +ATOM 47 CB PRO A 8 6.165 -9.492 -8.873 1.00 89.44 C +ATOM 48 CG PRO A 8 5.304 -10.612 -9.360 1.00 88.80 C +ATOM 49 CD PRO A 8 6.072 -11.862 -9.000 1.00 90.89 C +HETATM 50 N HYP A 9 6.056 -8.532 -5.779 1.00 86.09 N +HETATM 51 CA HYP A 9 5.234 -8.008 -4.715 1.00 89.75 C +HETATM 52 C HYP A 9 3.835 -7.741 -5.166 1.00 82.48 C +HETATM 53 O HYP A 9 3.594 -7.370 -6.342 1.00 88.42 O +HETATM 54 CB HYP A 9 5.926 -6.651 -4.348 1.00 85.74 C +HETATM 55 CG HYP A 9 7.344 -6.844 -4.742 1.00 85.06 C +HETATM 56 CD HYP A 9 7.217 -7.712 -5.964 1.00 86.78 C +HETATM 57 OD1 HYP A 9 8.024 -7.546 -3.728 1.00 84.23 O +ATOM 58 N GLY A 10 2.860 -7.841 -4.261 1.00 91.15 N +ATOM 59 CA GLY A 10 1.478 -7.550 -4.569 1.00 88.99 C +ATOM 60 C GLY A 10 1.279 -6.065 -4.831 1.00 88.94 C +ATOM 61 O GLY A 10 2.164 -5.243 -4.581 1.00 87.96 O +ATOM 62 N GLU A 11 0.087 -5.712 -5.340 1.00 86.12 N +ATOM 63 CA GLU A 11 -0.226 -4.316 -5.629 1.00 87.22 C +ATOM 64 C GLU A 11 -0.335 -3.503 -4.345 1.00 85.91 C +ATOM 65 O GLU A 11 -0.759 -3.997 -3.300 1.00 82.22 O +ATOM 66 CB GLU A 11 -1.545 -4.208 -6.401 1.00 82.33 C +ATOM 67 CG GLU A 11 -1.475 -4.783 -7.799 1.00 76.87 C +ATOM 68 CD GLU A 11 -2.757 -4.545 -8.572 1.00 73.25 C +ATOM 69 OE1 GLU A 11 -3.752 -4.103 -7.968 1.00 69.81 O +ATOM 70 OE2 GLU A 11 -2.763 -4.810 -9.780 1.00 70.84 O +ATOM 71 N LEU A 12 0.041 -2.229 -4.437 1.00 88.18 N +ATOM 72 CA LEU A 12 -0.070 -1.325 -3.302 1.00 88.63 C +ATOM 73 C LEU A 12 -1.555 -1.090 -3.019 1.00 89.02 C +ATOM 74 O LEU A 12 -2.345 -0.900 -3.950 1.00 85.48 O +ATOM 75 CB LEU A 12 0.625 0.002 -3.612 1.00 84.82 C +ATOM 76 CG LEU A 12 0.608 1.059 -2.505 1.00 79.90 C +ATOM 77 CD1 LEU A 12 1.368 0.578 -1.293 1.00 77.78 C +ATOM 78 CD2 LEU A 12 1.213 2.360 -3.023 1.00 74.00 C +ATOM 79 N GLY A 13 -1.908 -1.116 -1.733 1.00 85.57 N +ATOM 80 CA GLY A 13 -3.293 -0.907 -1.354 1.00 83.98 C +ATOM 81 C GLY A 13 -3.786 0.494 -1.655 1.00 85.03 C +ATOM 82 O GLY A 13 -2.999 1.383 -1.983 1.00 84.48 O +ATOM 83 N PRO A 14 -5.097 0.732 -1.537 1.00 87.30 N +ATOM 84 CA PRO A 14 -5.666 2.050 -1.815 1.00 88.76 C +ATOM 85 C PRO A 14 -5.268 3.067 -0.754 1.00 88.21 C +ATOM 86 O PRO A 14 -4.903 2.710 0.357 1.00 86.61 O +ATOM 87 CB PRO A 14 -7.171 1.801 -1.816 1.00 85.95 C +ATOM 88 CG PRO A 14 -7.331 0.653 -0.877 1.00 84.44 C +ATOM 89 CD PRO A 14 -6.136 -0.229 -1.165 1.00 84.86 C +HETATM 90 N HYP A 15 -5.368 4.350 -1.091 1.00 74.87 N +HETATM 91 CA HYP A 15 -5.119 5.429 -0.168 1.00 84.47 C +HETATM 92 C HYP A 15 -6.045 5.401 1.043 1.00 76.28 C +HETATM 93 O HYP A 15 -7.163 4.868 0.955 1.00 79.34 O +HETATM 94 CB HYP A 15 -5.407 6.658 -1.050 1.00 73.81 C +HETATM 95 CG HYP A 15 -5.104 6.183 -2.452 1.00 75.78 C +HETATM 96 CD HYP A 15 -5.600 4.787 -2.418 1.00 80.90 C +HETATM 97 OD1 HYP A 15 -3.741 6.208 -2.714 1.00 81.44 O +ATOM 98 N GLY A 16 -5.587 5.863 2.153 1.00 92.04 N +ATOM 99 CA GLY A 16 -6.398 5.920 3.335 1.00 90.97 C +ATOM 100 C GLY A 16 -7.496 6.960 3.202 1.00 91.31 C +ATOM 101 O GLY A 16 -7.524 7.728 2.233 1.00 91.19 O +ATOM 102 N PRO A 17 -8.421 7.017 4.181 1.00 80.43 N +ATOM 103 CA PRO A 17 -9.518 7.974 4.130 1.00 84.25 C +ATOM 104 C PRO A 17 -9.038 9.400 4.366 1.00 83.92 C +ATOM 105 O PRO A 17 -8.013 9.622 4.990 1.00 83.75 O +ATOM 106 CB PRO A 17 -10.448 7.501 5.246 1.00 82.07 C +ATOM 107 CG PRO A 17 -9.521 6.875 6.223 1.00 79.03 C +ATOM 108 CD PRO A 17 -8.491 6.167 5.369 1.00 80.11 C +HETATM 109 N HYP A 18 -9.773 10.372 3.902 1.00 83.07 N +HETATM 110 CA HYP A 18 -9.505 11.770 4.133 1.00 89.45 C +HETATM 111 C HYP A 18 -9.627 12.146 5.611 1.00 80.26 C +HETATM 112 O HYP A 18 -10.362 11.503 6.393 1.00 87.10 O +HETATM 113 CB HYP A 18 -10.644 12.445 3.380 1.00 81.82 C +HETATM 114 CG HYP A 18 -11.051 11.498 2.323 1.00 79.43 C +HETATM 115 CD HYP A 18 -10.855 10.174 2.977 1.00 86.15 C +HETATM 116 OD1 HYP A 18 -10.228 11.593 1.194 1.00 85.53 O +ATOM 117 N GLY A 19 -8.910 13.152 6.027 1.00 86.53 N +ATOM 118 CA GLY A 19 -8.977 13.618 7.385 1.00 85.78 C +ATOM 119 C GLY A 19 -10.317 14.280 7.664 1.00 86.10 C +ATOM 120 O GLY A 19 -11.127 14.477 6.752 1.00 86.31 O +ATOM 121 N PRO A 20 -10.575 14.648 8.920 1.00 83.53 N +ATOM 122 CA PRO A 20 -11.838 15.273 9.288 1.00 85.46 C +ATOM 123 C PRO A 20 -11.951 16.684 8.729 1.00 84.61 C +ATOM 124 O PRO A 20 -10.950 17.338 8.456 1.00 83.90 O +ATOM 125 CB PRO A 20 -11.796 15.269 10.817 1.00 82.25 C +ATOM 126 CG PRO A 20 -10.345 15.332 11.123 1.00 79.21 C +ATOM 127 CD PRO A 20 -9.699 14.459 10.073 1.00 81.85 C +HETATM 128 N HYP A 21 -13.161 17.204 8.608 1.00 89.95 N +HETATM 129 CA HYP A 21 -13.411 18.539 8.121 1.00 87.56 C +HETATM 130 C HYP A 21 -12.928 19.641 9.073 1.00 88.87 C +HETATM 131 O HYP A 21 -12.890 19.411 10.296 1.00 90.88 O +HETATM 132 CB HYP A 21 -14.974 18.623 8.149 1.00 88.17 C +HETATM 133 CG HYP A 21 -15.446 17.210 8.006 1.00 83.16 C +HETATM 134 CD HYP A 21 -14.387 16.433 8.757 1.00 89.23 C +HETATM 135 OD1 HYP A 21 -15.433 16.824 6.651 1.00 87.13 O +ATOM 136 N GLY A 22 -12.496 20.743 8.546 1.00 87.30 N +ATOM 137 CA GLY A 22 -12.058 21.847 9.349 1.00 86.29 C +ATOM 138 C GLY A 22 -13.242 22.499 10.050 1.00 86.42 C +ATOM 139 O GLY A 22 -14.393 22.129 9.811 1.00 84.43 O +ATOM 140 N PRO A 23 -13.001 23.514 10.894 1.00 89.41 N +ATOM 141 CA PRO A 23 -14.083 24.179 11.606 1.00 90.19 C +ATOM 142 C PRO A 23 -14.936 25.010 10.672 1.00 89.32 C +ATOM 143 O PRO A 23 -14.465 25.463 9.624 1.00 85.13 O +ATOM 144 CB PRO A 23 -13.352 25.047 12.631 1.00 85.63 C +ATOM 145 CG PRO A 23 -12.056 25.336 11.970 1.00 82.89 C +ATOM 146 CD PRO A 23 -11.696 24.054 11.251 1.00 85.48 C +HETATM 147 N HYP A 24 -16.211 25.319 11.055 1.00 89.46 N +HETATM 148 CA HYP A 24 -17.039 26.098 10.111 1.00 82.73 C +HETATM 149 C HYP A 24 -16.538 27.550 10.134 1.00 88.89 C +HETATM 150 O HYP A 24 -17.066 28.400 9.502 1.00 83.89 O +HETATM 151 CB HYP A 24 -18.423 26.168 10.871 1.00 87.77 C +HETATM 152 CG HYP A 24 -18.431 25.063 11.866 1.00 84.10 C +HETATM 153 CD HYP A 24 -16.947 24.865 12.226 1.00 88.30 C +HETATM 154 OD1 HYP A 24 -18.898 23.898 11.254 1.00 82.69 O +HETATM 155 OXT HYP A 24 -15.588 27.816 10.851 1.00 80.27 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_358.txt b/protein_pdb_358.txt new file mode 100644 index 0000000000000000000000000000000000000000..5c66092091261f8aa02041c7b9671d75c425e584 --- /dev/null +++ b/protein_pdb_358.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -5.928 -10.632 7.855 1.00 70.14 N +ATOM 2 CA GLY A 1 -6.729 -10.247 6.702 1.00 73.60 C +ATOM 3 C GLY A 1 -5.862 -9.911 5.520 1.00 74.70 C +ATOM 4 O GLY A 1 -4.641 -10.004 5.596 1.00 71.38 O +ATOM 5 N PRO A 2 -6.472 -9.515 4.420 1.00 71.51 N +ATOM 6 CA PRO A 2 -5.719 -9.197 3.214 1.00 75.67 C +ATOM 7 C PRO A 2 -4.925 -7.919 3.364 1.00 75.91 C +ATOM 8 O PRO A 2 -5.172 -7.104 4.243 1.00 73.38 O +ATOM 9 CB PRO A 2 -6.800 -9.075 2.145 1.00 71.94 C +ATOM 10 CG PRO A 2 -7.991 -8.607 2.913 1.00 65.78 C +ATOM 11 CD PRO A 2 -7.907 -9.359 4.214 1.00 64.36 C +HETATM 12 N HYP A 3 -4.017 -7.767 2.543 1.00 78.17 N +HETATM 13 CA HYP A 3 -3.193 -6.540 2.486 1.00 76.85 C +HETATM 14 C HYP A 3 -4.013 -5.317 2.278 1.00 80.07 C +HETATM 15 O HYP A 3 -5.103 -5.371 1.650 1.00 81.35 O +HETATM 16 CB HYP A 3 -2.312 -6.857 1.266 1.00 74.38 C +HETATM 17 CG HYP A 3 -2.204 -8.366 1.252 1.00 70.90 C +HETATM 18 CD HYP A 3 -3.630 -8.790 1.614 1.00 75.37 C +HETATM 19 OD1 HYP A 3 -1.323 -8.819 2.222 1.00 76.81 O +ATOM 20 N GLY A 4 -3.560 -4.233 2.812 1.00 82.54 N +ATOM 21 CA GLY A 4 -4.266 -2.987 2.689 1.00 82.15 C +ATOM 22 C GLY A 4 -4.206 -2.477 1.260 1.00 81.92 C +ATOM 23 O GLY A 4 -3.563 -3.074 0.399 1.00 80.67 O +ATOM 24 N PRO A 5 -4.869 -1.364 1.006 1.00 84.61 N +ATOM 25 CA PRO A 5 -4.878 -0.792 -0.332 1.00 84.37 C +ATOM 26 C PRO A 5 -3.519 -0.212 -0.692 1.00 84.40 C +ATOM 27 O PRO A 5 -2.686 0.030 0.174 1.00 82.26 O +ATOM 28 CB PRO A 5 -5.952 0.285 -0.247 1.00 81.75 C +ATOM 29 CG PRO A 5 -5.915 0.703 1.177 1.00 80.20 C +ATOM 30 CD PRO A 5 -5.677 -0.577 1.936 1.00 80.96 C +HETATM 31 N HYP A 6 -3.320 0.014 -1.937 1.00 84.37 N +HETATM 32 CA HYP A 6 -2.077 0.608 -2.406 1.00 82.25 C +HETATM 33 C HYP A 6 -1.808 1.946 -1.805 1.00 84.59 C +HETATM 34 O HYP A 6 -2.756 2.713 -1.494 1.00 82.77 O +HETATM 35 CB HYP A 6 -2.407 0.726 -3.906 1.00 80.63 C +HETATM 36 CG HYP A 6 -3.390 -0.376 -4.174 1.00 78.39 C +HETATM 37 CD HYP A 6 -4.259 -0.342 -2.968 1.00 81.83 C +HETATM 38 OD1 HYP A 6 -2.763 -1.634 -4.271 1.00 80.02 O +ATOM 39 N GLY A 7 -0.562 2.218 -1.562 1.00 84.01 N +ATOM 40 CA GLY A 7 -0.165 3.462 -0.966 1.00 82.86 C +ATOM 41 C GLY A 7 -0.394 4.603 -1.934 1.00 83.70 C +ATOM 42 O GLY A 7 -0.825 4.401 -3.072 1.00 82.60 O +ATOM 43 N PRO A 8 -0.097 5.815 -1.487 1.00 82.80 N +ATOM 44 CA PRO A 8 -0.293 6.975 -2.345 1.00 82.36 C +ATOM 45 C PRO A 8 0.716 6.988 -3.481 1.00 82.81 C +ATOM 46 O PRO A 8 1.799 6.415 -3.388 1.00 80.09 O +ATOM 47 CB PRO A 8 -0.102 8.149 -1.398 1.00 79.63 C +ATOM 48 CG PRO A 8 0.834 7.621 -0.367 1.00 79.95 C +ATOM 49 CD PRO A 8 0.398 6.189 -0.175 1.00 80.65 C +HETATM 50 N HYP A 9 0.417 7.696 -4.557 1.00 79.78 N +HETATM 51 CA HYP A 9 1.245 7.802 -5.647 1.00 78.39 C +HETATM 52 C HYP A 9 2.513 8.565 -5.320 1.00 79.39 C +HETATM 53 O HYP A 9 2.508 9.412 -4.423 1.00 80.57 O +HETATM 54 CB HYP A 9 0.394 8.745 -6.550 1.00 76.56 C +HETATM 55 CG HYP A 9 -0.993 8.531 -6.131 1.00 74.77 C +HETATM 56 CD HYP A 9 -0.886 8.307 -4.713 1.00 76.61 C +HETATM 57 OD1 HYP A 9 -1.550 7.396 -6.744 1.00 73.64 O +ATOM 58 N GLY A 10 3.575 8.311 -5.990 1.00 77.08 N +ATOM 59 CA GLY A 10 4.784 9.069 -5.805 1.00 75.35 C +ATOM 60 C GLY A 10 4.577 10.432 -6.417 1.00 76.04 C +ATOM 61 O GLY A 10 3.445 10.911 -6.532 1.00 70.79 O +ATOM 62 N GLN A 11 5.636 11.049 -6.830 1.00 73.46 N +ATOM 63 CA GLN A 11 5.484 12.349 -7.477 1.00 75.73 C +ATOM 64 C GLN A 11 4.552 12.197 -8.671 1.00 74.24 C +ATOM 65 O GLN A 11 3.417 12.663 -8.666 1.00 70.00 O +ATOM 66 CB GLN A 11 6.851 12.877 -7.918 1.00 73.01 C +ATOM 67 CG GLN A 11 7.807 13.115 -6.744 1.00 69.92 C +ATOM 68 CD GLN A 11 7.298 14.203 -5.804 1.00 63.61 C +ATOM 69 OE1 GLN A 11 6.630 15.139 -6.228 1.00 63.41 O +ATOM 70 NE2 GLN A 11 7.619 14.091 -4.531 1.00 61.14 N +ATOM 71 N SER A 12 5.023 11.492 -9.684 1.00 76.14 N +ATOM 72 CA SER A 12 4.214 11.178 -10.855 1.00 77.38 C +ATOM 73 C SER A 12 4.351 9.704 -11.130 1.00 78.35 C +ATOM 74 O SER A 12 3.974 9.214 -12.191 1.00 72.64 O +ATOM 75 CB SER A 12 4.693 11.972 -12.075 1.00 73.09 C +ATOM 76 OG SER A 12 4.553 13.363 -11.851 1.00 67.77 O +ATOM 77 N GLY A 13 4.933 9.021 -10.172 1.00 73.02 N +ATOM 78 CA GLY A 13 5.224 7.616 -10.327 1.00 70.60 C +ATOM 79 C GLY A 13 4.049 6.721 -10.005 1.00 71.28 C +ATOM 80 O GLY A 13 2.930 7.188 -9.784 1.00 69.24 O +ATOM 81 N PRO A 14 4.301 5.424 -9.990 1.00 75.43 N +ATOM 82 CA PRO A 14 3.259 4.447 -9.722 1.00 76.27 C +ATOM 83 C PRO A 14 2.779 4.523 -8.283 1.00 76.22 C +ATOM 84 O PRO A 14 3.421 5.119 -7.425 1.00 72.73 O +ATOM 85 CB PRO A 14 3.935 3.112 -10.016 1.00 73.08 C +ATOM 86 CG PRO A 14 5.373 3.373 -9.726 1.00 71.26 C +ATOM 87 CD PRO A 14 5.597 4.783 -10.199 1.00 70.94 C +HETATM 88 N HYP A 15 1.691 3.908 -8.072 1.00 79.08 N +HETATM 89 CA HYP A 15 1.128 3.851 -6.729 1.00 77.75 C +HETATM 90 C HYP A 15 2.077 3.255 -5.768 1.00 81.75 C +HETATM 91 O HYP A 15 2.960 2.461 -6.183 1.00 81.43 O +HETATM 92 CB HYP A 15 -0.126 3.007 -7.025 1.00 75.81 C +HETATM 93 CG HYP A 15 -0.459 3.302 -8.469 1.00 74.03 C +HETATM 94 CD HYP A 15 0.891 3.351 -9.116 1.00 80.57 C +HETATM 95 OD1 HYP A 15 -1.128 4.517 -8.600 1.00 76.62 O +ATOM 96 N GLY A 16 1.939 3.596 -4.548 1.00 79.44 N +ATOM 97 CA GLY A 16 2.797 3.062 -3.534 1.00 79.39 C +ATOM 98 C GLY A 16 2.504 1.595 -3.301 1.00 80.93 C +ATOM 99 O GLY A 16 1.579 1.027 -3.885 1.00 80.07 O +ATOM 100 N PRO A 17 3.310 0.971 -2.437 1.00 83.12 N +ATOM 101 CA PRO A 17 3.116 -0.442 -2.145 1.00 83.46 C +ATOM 102 C PRO A 17 1.835 -0.669 -1.361 1.00 84.62 C +ATOM 103 O PRO A 17 1.273 0.249 -0.777 1.00 82.75 O +ATOM 104 CB PRO A 17 4.355 -0.810 -1.334 1.00 80.99 C +ATOM 105 CG PRO A 17 4.717 0.470 -0.664 1.00 80.94 C +ATOM 106 CD PRO A 17 4.427 1.526 -1.694 1.00 81.54 C +HETATM 107 N HYP A 18 1.402 -1.871 -1.339 1.00 82.35 N +HETATM 108 CA HYP A 18 0.233 -2.208 -0.568 1.00 85.97 C +HETATM 109 C HYP A 18 0.367 -1.887 0.871 1.00 86.35 C +HETATM 110 O HYP A 18 1.484 -1.936 1.432 1.00 84.48 O +HETATM 111 CB HYP A 18 0.195 -3.713 -0.823 1.00 82.78 C +HETATM 112 CG HYP A 18 0.828 -3.903 -2.163 1.00 80.90 C +HETATM 113 CD HYP A 18 1.951 -2.938 -2.132 1.00 84.38 C +HETATM 114 OD1 HYP A 18 -0.080 -3.561 -3.196 1.00 81.77 O +ATOM 115 N GLY A 19 -0.702 -1.547 1.482 1.00 85.02 N +ATOM 116 CA GLY A 19 -0.703 -1.220 2.874 1.00 84.36 C +ATOM 117 C GLY A 19 -0.467 -2.463 3.712 1.00 85.42 C +ATOM 118 O GLY A 19 -0.314 -3.562 3.182 1.00 84.73 O +ATOM 119 N PRO A 20 -0.437 -2.286 5.017 1.00 84.01 N +ATOM 120 CA PRO A 20 -0.208 -3.414 5.896 1.00 83.58 C +ATOM 121 C PRO A 20 -1.390 -4.368 5.888 1.00 84.41 C +ATOM 122 O PRO A 20 -2.492 -4.012 5.496 1.00 82.40 O +ATOM 123 CB PRO A 20 -0.012 -2.761 7.262 1.00 80.65 C +ATOM 124 CG PRO A 20 -0.809 -1.507 7.161 1.00 79.49 C +ATOM 125 CD PRO A 20 -0.595 -1.049 5.746 1.00 79.81 C +HETATM 126 N HYP A 21 -1.183 -5.528 6.322 1.00 84.26 N +HETATM 127 CA HYP A 21 -2.206 -6.528 6.408 1.00 83.89 C +HETATM 128 C HYP A 21 -3.372 -6.134 7.288 1.00 85.39 C +HETATM 129 O HYP A 21 -3.148 -5.409 8.280 1.00 85.47 O +HETATM 130 CB HYP A 21 -1.459 -7.679 7.054 1.00 83.32 C +HETATM 131 CG HYP A 21 -0.032 -7.456 6.659 1.00 82.04 C +HETATM 132 CD HYP A 21 0.126 -5.986 6.700 1.00 84.39 C +HETATM 133 OD1 HYP A 21 0.200 -7.888 5.342 1.00 82.66 O +ATOM 134 N GLY A 22 -4.543 -6.462 6.918 1.00 84.34 N +ATOM 135 CA GLY A 22 -5.696 -6.128 7.688 1.00 83.08 C +ATOM 136 C GLY A 22 -5.750 -7.000 8.930 1.00 82.60 C +ATOM 137 O GLY A 22 -4.863 -7.809 9.176 1.00 80.73 O +ATOM 138 N PRO A 23 -6.793 -6.853 9.723 1.00 86.53 N +ATOM 139 CA PRO A 23 -6.934 -7.665 10.924 1.00 87.08 C +ATOM 140 C PRO A 23 -7.034 -9.130 10.556 1.00 86.54 C +ATOM 141 O PRO A 23 -7.419 -9.468 9.443 1.00 83.06 O +ATOM 142 CB PRO A 23 -8.229 -7.171 11.545 1.00 82.23 C +ATOM 143 CG PRO A 23 -8.400 -5.810 10.985 1.00 80.18 C +ATOM 144 CD PRO A 23 -7.877 -5.911 9.595 1.00 81.99 C +HETATM 145 N HYP A 24 -6.778 -10.023 11.442 1.00 85.09 N +HETATM 146 CA HYP A 24 -6.898 -11.366 11.054 1.00 83.81 C +HETATM 147 C HYP A 24 -8.102 -11.702 10.263 1.00 81.26 C +HETATM 148 O HYP A 24 -9.161 -11.163 10.633 1.00 80.52 O +HETATM 149 CB HYP A 24 -6.660 -12.172 12.282 1.00 82.34 C +HETATM 150 CG HYP A 24 -5.919 -11.234 13.195 1.00 81.38 C +HETATM 151 CD HYP A 24 -6.437 -9.855 12.824 1.00 84.89 C +HETATM 152 OD1 HYP A 24 -4.534 -11.277 12.916 1.00 82.35 O +HETATM 153 OXT HYP A 24 -7.964 -12.517 9.301 1.00 80.18 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_359.txt b/protein_pdb_359.txt new file mode 100644 index 0000000000000000000000000000000000000000..1c0919109ca87511de313999baf89155322f6001 --- /dev/null +++ b/protein_pdb_359.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -9.824 13.533 1.516 1.00 76.04 N +ATOM 2 CA GLY A 1 -10.557 12.310 1.223 1.00 77.81 C +ATOM 3 C GLY A 1 -10.097 11.175 2.105 1.00 78.50 C +ATOM 4 O GLY A 1 -9.208 11.349 2.933 1.00 75.03 O +ATOM 5 N PRO A 2 -10.671 10.010 1.931 1.00 76.24 N +ATOM 6 CA PRO A 2 -10.320 8.875 2.766 1.00 79.25 C +ATOM 7 C PRO A 2 -8.941 8.329 2.443 1.00 79.53 C +ATOM 8 O PRO A 2 -8.388 8.584 1.384 1.00 76.96 O +ATOM 9 CB PRO A 2 -11.406 7.852 2.451 1.00 75.29 C +ATOM 10 CG PRO A 2 -11.831 8.191 1.069 1.00 69.20 C +ATOM 11 CD PRO A 2 -11.721 9.686 0.970 1.00 68.13 C +HETATM 12 N HYP A 3 -8.418 7.657 3.369 1.00 77.35 N +HETATM 13 CA HYP A 3 -7.154 6.923 3.148 1.00 79.18 C +HETATM 14 C HYP A 3 -7.253 5.972 1.994 1.00 82.88 C +HETATM 15 O HYP A 3 -8.353 5.422 1.706 1.00 84.85 O +HETATM 16 CB HYP A 3 -7.053 6.140 4.496 1.00 81.03 C +HETATM 17 CG HYP A 3 -7.783 6.992 5.516 1.00 74.97 C +HETATM 18 CD HYP A 3 -8.972 7.538 4.709 1.00 79.85 C +HETATM 19 OD1 HYP A 3 -6.955 8.054 5.913 1.00 81.30 O +ATOM 20 N GLY A 4 -6.166 5.799 1.288 1.00 83.31 N +ATOM 21 CA GLY A 4 -6.121 4.874 0.196 1.00 83.17 C +ATOM 22 C GLY A 4 -6.180 3.443 0.691 1.00 83.10 C +ATOM 23 O GLY A 4 -6.104 3.182 1.890 1.00 82.05 O +ATOM 24 N PRO A 5 -6.311 2.507 -0.236 1.00 82.24 N +ATOM 25 CA PRO A 5 -6.360 1.107 0.152 1.00 81.99 C +ATOM 26 C PRO A 5 -5.000 0.613 0.606 1.00 82.50 C +ATOM 27 O PRO A 5 -3.974 1.239 0.342 1.00 80.29 O +ATOM 28 CB PRO A 5 -6.806 0.410 -1.129 1.00 78.64 C +ATOM 29 CG PRO A 5 -6.318 1.296 -2.212 1.00 75.59 C +ATOM 30 CD PRO A 5 -6.423 2.694 -1.679 1.00 76.12 C +HETATM 31 N HYP A 6 -5.006 -0.497 1.301 1.00 84.46 N +HETATM 32 CA HYP A 6 -3.764 -1.127 1.697 1.00 85.95 C +HETATM 33 C HYP A 6 -2.889 -1.442 0.520 1.00 85.65 C +HETATM 34 O HYP A 6 -3.392 -1.768 -0.589 1.00 83.48 O +HETATM 35 CB HYP A 6 -4.272 -2.411 2.382 1.00 82.70 C +HETATM 36 CG HYP A 6 -5.656 -2.081 2.875 1.00 79.17 C +HETATM 37 CD HYP A 6 -6.194 -1.192 1.774 1.00 84.05 C +HETATM 38 OD1 HYP A 6 -5.578 -1.353 4.080 1.00 84.45 O +ATOM 39 N GLY A 7 -1.608 -1.294 0.679 1.00 84.13 N +ATOM 40 CA GLY A 7 -0.670 -1.590 -0.368 1.00 81.75 C +ATOM 41 C GLY A 7 -0.618 -3.082 -0.645 1.00 82.24 C +ATOM 42 O GLY A 7 -1.203 -3.891 0.075 1.00 81.13 O +ATOM 43 N PRO A 8 0.090 -3.450 -1.691 1.00 80.30 N +ATOM 44 CA PRO A 8 0.198 -4.860 -2.025 1.00 79.75 C +ATOM 45 C PRO A 8 1.049 -5.610 -1.015 1.00 79.52 C +ATOM 46 O PRO A 8 1.854 -5.023 -0.304 1.00 76.77 O +ATOM 47 CB PRO A 8 0.835 -4.858 -3.410 1.00 75.92 C +ATOM 48 CG PRO A 8 1.567 -3.577 -3.475 1.00 75.28 C +ATOM 49 CD PRO A 8 0.800 -2.599 -2.636 1.00 75.32 C +HETATM 50 N HYP A 9 0.846 -6.934 -0.980 1.00 79.79 N +HETATM 51 CA HYP A 9 1.629 -7.750 -0.114 1.00 81.95 C +HETATM 52 C HYP A 9 3.091 -7.741 -0.471 1.00 80.18 C +HETATM 53 O HYP A 9 3.458 -7.694 -1.645 1.00 81.60 O +HETATM 54 CB HYP A 9 1.111 -9.196 -0.452 1.00 76.34 C +HETATM 55 CG HYP A 9 -0.278 -9.008 -0.922 1.00 75.29 C +HETATM 56 CD HYP A 9 -0.235 -7.687 -1.647 1.00 80.72 C +HETATM 57 OD1 HYP A 9 -1.132 -8.905 0.203 1.00 74.21 O +ATOM 58 N GLY A 10 3.949 -7.678 0.537 1.00 79.30 N +ATOM 59 CA GLY A 10 5.359 -7.864 0.341 1.00 75.69 C +ATOM 60 C GLY A 10 5.640 -9.345 0.202 1.00 75.64 C +ATOM 61 O GLY A 10 4.727 -10.177 0.170 1.00 72.69 O +ATOM 62 N TYR A 11 6.907 -9.702 0.139 1.00 80.52 N +ATOM 63 CA TYR A 11 7.253 -11.109 0.037 1.00 81.72 C +ATOM 64 C TYR A 11 6.797 -11.823 1.313 1.00 81.31 C +ATOM 65 O TYR A 11 7.298 -11.550 2.397 1.00 78.85 O +ATOM 66 CB TYR A 11 8.766 -11.256 -0.145 1.00 79.61 C +ATOM 67 CG TYR A 11 9.208 -12.696 -0.126 1.00 76.30 C +ATOM 68 CD1 TYR A 11 8.952 -13.529 -1.209 1.00 74.13 C +ATOM 69 CD2 TYR A 11 9.851 -13.229 0.981 1.00 73.48 C +ATOM 70 CE1 TYR A 11 9.330 -14.858 -1.183 1.00 71.98 C +ATOM 71 CE2 TYR A 11 10.234 -14.565 1.013 1.00 73.31 C +ATOM 72 CZ TYR A 11 9.975 -15.377 -0.071 1.00 70.43 C +ATOM 73 OH TYR A 11 10.340 -16.704 -0.047 1.00 70.77 O +ATOM 74 N ALA A 12 5.841 -12.701 1.164 1.00 75.22 N +ATOM 75 CA ALA A 12 5.255 -13.431 2.284 1.00 77.18 C +ATOM 76 C ALA A 12 4.748 -12.493 3.370 1.00 78.12 C +ATOM 77 O ALA A 12 4.621 -12.882 4.530 1.00 72.21 O +ATOM 78 CB ALA A 12 6.253 -14.432 2.865 1.00 71.19 C +ATOM 79 N GLY A 13 4.453 -11.266 3.006 1.00 79.87 N +ATOM 80 CA GLY A 13 4.042 -10.267 3.969 1.00 78.08 C +ATOM 81 C GLY A 13 2.622 -9.791 3.762 1.00 78.13 C +ATOM 82 O GLY A 13 2.011 -10.057 2.723 1.00 78.55 O +ATOM 83 N PRO A 14 2.096 -9.114 4.742 1.00 83.50 N +ATOM 84 CA PRO A 14 0.738 -8.604 4.657 1.00 83.26 C +ATOM 85 C PRO A 14 0.656 -7.385 3.751 1.00 83.41 C +ATOM 86 O PRO A 14 1.667 -6.825 3.346 1.00 80.28 O +ATOM 87 CB PRO A 14 0.418 -8.232 6.100 1.00 80.09 C +ATOM 88 CG PRO A 14 1.735 -7.819 6.655 1.00 79.22 C +ATOM 89 CD PRO A 14 2.735 -8.744 6.006 1.00 79.38 C +HETATM 90 N HYP A 15 -0.571 -7.033 3.450 1.00 81.17 N +HETATM 91 CA HYP A 15 -0.782 -5.781 2.745 1.00 85.17 C +HETATM 92 C HYP A 15 -0.159 -4.624 3.447 1.00 86.18 C +HETATM 93 O HYP A 15 -0.068 -4.647 4.702 1.00 83.50 O +HETATM 94 CB HYP A 15 -2.351 -5.686 2.799 1.00 79.47 C +HETATM 95 CG HYP A 15 -2.797 -7.112 2.812 1.00 77.11 C +HETATM 96 CD HYP A 15 -1.777 -7.784 3.692 1.00 83.07 C +HETATM 97 OD1 HYP A 15 -2.758 -7.625 1.523 1.00 81.33 O +ATOM 98 N GLY A 16 0.300 -3.682 2.692 1.00 84.44 N +ATOM 99 CA GLY A 16 0.884 -2.506 3.270 1.00 83.37 C +ATOM 100 C GLY A 16 -0.172 -1.663 3.955 1.00 84.31 C +ATOM 101 O GLY A 16 -1.365 -1.961 3.901 1.00 84.01 O +ATOM 102 N PRO A 17 0.277 -0.596 4.606 1.00 84.03 N +ATOM 103 CA PRO A 17 -0.664 0.280 5.288 1.00 84.05 C +ATOM 104 C PRO A 17 -1.516 1.058 4.297 1.00 85.12 C +ATOM 105 O PRO A 17 -1.201 1.146 3.116 1.00 82.66 O +ATOM 106 CB PRO A 17 0.240 1.208 6.101 1.00 81.23 C +ATOM 107 CG PRO A 17 1.529 1.179 5.392 1.00 79.93 C +ATOM 108 CD PRO A 17 1.661 -0.168 4.762 1.00 80.62 C +HETATM 109 N HYP A 18 -2.605 1.591 4.772 1.00 85.77 N +HETATM 110 CA HYP A 18 -3.438 2.429 3.973 1.00 88.35 C +HETATM 111 C HYP A 18 -2.698 3.572 3.364 1.00 87.56 C +HETATM 112 O HYP A 18 -1.737 4.106 3.999 1.00 86.96 O +HETATM 113 CB HYP A 18 -4.490 2.893 4.981 1.00 82.83 C +HETATM 114 CG HYP A 18 -4.564 1.789 5.995 1.00 82.28 C +HETATM 115 CD HYP A 18 -3.130 1.368 6.110 1.00 86.66 C +HETATM 116 OD1 HYP A 18 -5.344 0.736 5.488 1.00 84.54 O +ATOM 117 N GLY A 19 -3.054 3.935 2.189 1.00 84.73 N +ATOM 118 CA GLY A 19 -2.441 5.052 1.531 1.00 83.58 C +ATOM 119 C GLY A 19 -2.760 6.345 2.254 1.00 84.10 C +ATOM 120 O GLY A 19 -3.553 6.376 3.194 1.00 83.66 O +ATOM 121 N PRO A 20 -2.141 7.418 1.806 1.00 80.03 N +ATOM 122 CA PRO A 20 -2.374 8.699 2.450 1.00 80.06 C +ATOM 123 C PRO A 20 -3.778 9.209 2.185 1.00 80.41 C +ATOM 124 O PRO A 20 -4.432 8.806 1.235 1.00 78.11 O +ATOM 125 CB PRO A 20 -1.319 9.606 1.815 1.00 76.94 C +ATOM 126 CG PRO A 20 -1.060 8.987 0.490 1.00 73.94 C +ATOM 127 CD PRO A 20 -1.199 7.511 0.693 1.00 74.20 C +HETATM 128 N HYP A 21 -4.229 10.075 3.035 1.00 83.55 N +HETATM 129 CA HYP A 21 -5.487 10.713 2.852 1.00 84.36 C +HETATM 130 C HYP A 21 -5.571 11.506 1.561 1.00 84.67 C +HETATM 131 O HYP A 21 -4.536 12.076 1.149 1.00 83.48 O +HETATM 132 CB HYP A 21 -5.591 11.658 4.048 1.00 81.30 C +HETATM 133 CG HYP A 21 -4.716 11.032 5.115 1.00 79.00 C +HETATM 134 CD HYP A 21 -3.594 10.449 4.312 1.00 83.59 C +HETATM 135 OD1 HYP A 21 -5.426 9.961 5.735 1.00 83.00 O +ATOM 136 N GLY A 22 -6.643 11.438 0.902 1.00 80.00 N +ATOM 137 CA GLY A 22 -6.831 12.244 -0.271 1.00 77.79 C +ATOM 138 C GLY A 22 -6.947 13.706 0.124 1.00 77.82 C +ATOM 139 O GLY A 22 -6.902 14.049 1.302 1.00 77.13 O +ATOM 140 N PRO A 23 -7.113 14.579 -0.855 1.00 79.91 N +ATOM 141 CA PRO A 23 -7.248 15.994 -0.540 1.00 81.79 C +ATOM 142 C PRO A 23 -8.550 16.258 0.191 1.00 80.62 C +ATOM 143 O PRO A 23 -9.493 15.479 0.118 1.00 77.30 O +ATOM 144 CB PRO A 23 -7.206 16.675 -1.901 1.00 76.67 C +ATOM 145 CG PRO A 23 -7.604 15.617 -2.860 1.00 71.88 C +ATOM 146 CD PRO A 23 -7.159 14.317 -2.280 1.00 74.91 C +HETATM 147 N HYP A 24 -8.621 17.364 0.879 1.00 83.76 N +HETATM 148 CA HYP A 24 -9.848 17.621 1.545 1.00 84.43 C +HETATM 149 C HYP A 24 -11.005 17.370 0.696 1.00 80.59 C +HETATM 150 O HYP A 24 -11.185 18.147 -0.262 1.00 83.56 O +HETATM 151 CB HYP A 24 -9.718 19.033 2.109 1.00 83.20 C +HETATM 152 CG HYP A 24 -8.240 19.305 2.157 1.00 80.14 C +HETATM 153 CD HYP A 24 -7.665 18.468 1.012 1.00 83.53 C +HETATM 154 OD1 HYP A 24 -7.703 18.814 3.384 1.00 81.55 O +HETATM 155 OXT HYP A 24 -11.573 16.290 0.919 1.00 75.44 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_36.txt b/protein_pdb_36.txt new file mode 100644 index 0000000000000000000000000000000000000000..32bbc7561f9ac4f75ccfbb2a78aee0271fbc1376 --- /dev/null +++ b/protein_pdb_36.txt @@ -0,0 +1,137 @@ +ATOM 1 N GLY A 1 6.517 -30.381 -1.051 1.00 95.73 N +ATOM 2 CA GLY A 1 6.639 -29.551 0.148 1.00 96.43 C +ATOM 3 C GLY A 1 5.455 -28.631 0.309 1.00 96.93 C +ATOM 4 O GLY A 1 4.624 -28.521 -0.593 1.00 95.56 O +ATOM 5 N PRO A 2 5.356 -27.950 1.436 1.00 97.54 N +ATOM 6 CA PRO A 2 4.232 -27.042 1.671 1.00 97.75 C +ATOM 7 C PRO A 2 4.320 -25.804 0.784 1.00 97.92 C +ATOM 8 O PRO A 2 5.398 -25.420 0.338 1.00 97.33 O +ATOM 9 CB PRO A 2 4.362 -26.688 3.152 1.00 96.78 C +ATOM 10 CG PRO A 2 5.825 -26.807 3.410 1.00 95.04 C +ATOM 11 CD PRO A 2 6.261 -27.986 2.575 1.00 96.64 C +HETATM 12 N HYP A 3 3.214 -25.228 0.494 1.00 97.67 N +HETATM 13 CA HYP A 3 3.127 -23.950 -0.218 1.00 97.49 C +HETATM 14 C HYP A 3 3.903 -22.840 0.437 1.00 98.18 C +HETATM 15 O HYP A 3 3.986 -22.820 1.686 1.00 97.53 O +HETATM 16 CB HYP A 3 1.657 -23.650 -0.269 1.00 96.43 C +HETATM 17 CG HYP A 3 0.970 -24.961 -0.020 1.00 96.60 C +HETATM 18 CD HYP A 3 1.916 -25.693 0.907 1.00 97.26 C +HETATM 19 OD1 HYP A 3 0.772 -25.695 -1.197 1.00 97.01 O +ATOM 20 N GLY A 4 4.410 -21.899 -0.354 1.00 98.34 N +ATOM 21 CA GLY A 4 5.113 -20.765 0.191 1.00 98.28 C +ATOM 22 C GLY A 4 4.143 -19.822 0.891 1.00 98.23 C +ATOM 23 O GLY A 4 2.921 -19.938 0.731 1.00 97.93 O +ATOM 24 N PRO A 5 4.664 -18.876 1.665 1.00 98.30 N +ATOM 25 CA PRO A 5 3.805 -17.926 2.379 1.00 98.16 C +ATOM 26 C PRO A 5 3.188 -16.917 1.415 1.00 98.14 C +ATOM 27 O PRO A 5 3.680 -16.705 0.312 1.00 97.81 O +ATOM 28 CB PRO A 5 4.762 -17.261 3.361 1.00 97.60 C +ATOM 29 CG PRO A 5 6.062 -17.290 2.632 1.00 96.49 C +ATOM 30 CD PRO A 5 6.072 -18.627 1.922 1.00 97.76 C +HETATM 31 N HYP A 6 2.112 -16.312 1.810 1.00 98.25 N +HETATM 32 CA HYP A 6 1.528 -15.188 1.071 1.00 97.97 C +HETATM 33 C HYP A 6 2.470 -14.055 0.856 1.00 98.46 C +HETATM 34 O HYP A 6 3.277 -13.809 1.754 1.00 97.91 O +HETATM 35 CB HYP A 6 0.267 -14.782 1.879 1.00 97.09 C +HETATM 36 CG HYP A 6 -0.074 -16.028 2.671 1.00 96.72 C +HETATM 37 CD HYP A 6 1.286 -16.653 2.952 1.00 97.16 C +HETATM 38 OD1 HYP A 6 -0.875 -16.904 1.902 1.00 96.01 O +ATOM 39 N GLY A 7 2.369 -13.364 -0.237 1.00 98.14 N +ATOM 40 CA GLY A 7 3.228 -12.235 -0.507 1.00 98.07 C +ATOM 41 C GLY A 7 2.950 -11.103 0.476 1.00 98.20 C +ATOM 42 O GLY A 7 1.934 -11.096 1.167 1.00 97.96 O +ATOM 43 N PRO A 8 3.854 -10.109 0.532 1.00 98.15 N +ATOM 44 CA PRO A 8 3.660 -8.990 1.444 1.00 98.03 C +ATOM 45 C PRO A 8 2.525 -8.077 0.990 1.00 98.00 C +ATOM 46 O PRO A 8 2.118 -8.088 -0.176 1.00 97.17 O +ATOM 47 CB PRO A 8 5.008 -8.262 1.411 1.00 97.25 C +ATOM 48 CG PRO A 8 5.504 -8.545 0.028 1.00 95.85 C +ATOM 49 CD PRO A 8 5.083 -9.979 -0.234 1.00 97.44 C +ATOM 50 N LYS A 9 2.013 -7.280 1.925 1.00 97.95 N +ATOM 51 CA LYS A 9 0.957 -6.317 1.619 1.00 97.73 C +ATOM 52 C LYS A 9 1.498 -5.302 0.622 1.00 98.05 C +ATOM 53 O LYS A 9 2.654 -4.897 0.698 1.00 97.67 O +ATOM 54 CB LYS A 9 0.494 -5.625 2.907 1.00 96.58 C +ATOM 55 CG LYS A 9 -0.642 -4.640 2.711 1.00 91.81 C +ATOM 56 CD LYS A 9 -1.096 -4.037 4.032 1.00 90.17 C +ATOM 57 CE LYS A 9 -2.246 -3.057 3.842 1.00 84.47 C +ATOM 58 NZ LYS A 9 -2.716 -2.512 5.133 1.00 80.33 N +ATOM 59 N GLY A 10 0.656 -4.909 -0.325 1.00 98.25 N +ATOM 60 CA GLY A 10 1.064 -3.925 -1.314 1.00 98.11 C +ATOM 61 C GLY A 10 1.285 -2.557 -0.699 1.00 98.30 C +ATOM 62 O GLY A 10 0.933 -2.320 0.456 1.00 98.08 O +ATOM 63 N PRO A 11 1.867 -1.626 -1.468 1.00 98.21 N +ATOM 64 CA PRO A 11 2.142 -0.288 -0.952 1.00 98.19 C +ATOM 65 C PRO A 11 0.867 0.509 -0.736 1.00 98.33 C +ATOM 66 O PRO A 11 -0.165 0.222 -1.335 1.00 98.04 O +ATOM 67 CB PRO A 11 3.028 0.336 -2.032 1.00 97.46 C +ATOM 68 CG PRO A 11 2.575 -0.345 -3.275 1.00 96.09 C +ATOM 69 CD PRO A 11 2.305 -1.769 -2.849 1.00 97.48 C +HETATM 70 N HYP A 12 0.918 1.526 0.125 1.00 98.25 N +HETATM 71 CA HYP A 12 -0.189 2.448 0.334 1.00 98.19 C +HETATM 72 C HYP A 12 -0.604 3.162 -0.919 1.00 98.47 C +HETATM 73 O HYP A 12 0.259 3.369 -1.791 1.00 97.89 O +HETATM 74 CB HYP A 12 0.374 3.433 1.402 1.00 97.67 C +HETATM 75 CG HYP A 12 1.474 2.662 2.101 1.00 97.53 C +HETATM 76 CD HYP A 12 2.035 1.814 1.008 1.00 97.57 C +HETATM 77 OD1 HYP A 12 0.955 1.844 3.132 1.00 97.06 O +ATOM 78 N GLY A 13 -1.844 3.510 -1.049 1.00 98.43 N +ATOM 79 CA GLY A 13 -2.301 4.271 -2.187 1.00 98.35 C +ATOM 80 C GLY A 13 -1.725 5.686 -2.144 1.00 98.41 C +ATOM 81 O GLY A 13 -1.121 6.092 -1.149 1.00 98.24 O +ATOM 82 N PRO A 14 -1.905 6.447 -3.224 1.00 98.12 N +ATOM 83 CA PRO A 14 -1.375 7.810 -3.266 1.00 97.98 C +ATOM 84 C PRO A 14 -2.134 8.726 -2.319 1.00 98.03 C +ATOM 85 O PRO A 14 -3.283 8.473 -1.980 1.00 97.46 O +ATOM 86 CB PRO A 14 -1.568 8.217 -4.723 1.00 97.33 C +ATOM 87 CG PRO A 14 -2.750 7.415 -5.153 1.00 96.27 C +ATOM 88 CD PRO A 14 -2.577 6.086 -4.462 1.00 97.55 C +HETATM 89 N HYP A 15 -1.504 9.809 -1.886 1.00 98.07 N +HETATM 90 CA HYP A 15 -2.163 10.825 -1.075 1.00 97.86 C +HETATM 91 C HYP A 15 -3.354 11.467 -1.752 1.00 98.07 C +HETATM 92 O HYP A 15 -3.360 11.557 -2.997 1.00 97.76 O +HETATM 93 CB HYP A 15 -1.037 11.839 -0.778 1.00 97.23 C +HETATM 94 CG HYP A 15 0.263 11.066 -0.957 1.00 96.93 C +HETATM 95 CD HYP A 15 -0.088 10.100 -2.062 1.00 97.41 C +HETATM 96 OD1 HYP A 15 0.605 10.323 0.208 1.00 96.45 O +ATOM 97 N GLY A 16 -4.336 11.876 -1.012 1.00 98.02 N +ATOM 98 CA GLY A 16 -5.475 12.549 -1.581 1.00 97.85 C +ATOM 99 C GLY A 16 -5.077 13.933 -2.079 1.00 98.01 C +ATOM 100 O GLY A 16 -3.990 14.425 -1.769 1.00 97.59 O +ATOM 101 N PRO A 17 -5.946 14.582 -2.846 1.00 97.21 N +ATOM 102 CA PRO A 17 -5.641 15.916 -3.367 1.00 96.85 C +ATOM 103 C PRO A 17 -5.660 16.962 -2.268 1.00 96.81 C +ATOM 104 O PRO A 17 -6.281 16.777 -1.228 1.00 95.73 O +ATOM 105 CB PRO A 17 -6.741 16.145 -4.399 1.00 95.71 C +ATOM 106 CG PRO A 17 -7.882 15.361 -3.853 1.00 94.06 C +ATOM 107 CD PRO A 17 -7.251 14.120 -3.274 1.00 96.24 C +HETATM 108 N HYP A 18 -4.988 18.099 -2.479 1.00 97.05 N +HETATM 109 CA HYP A 18 -5.034 19.207 -1.561 1.00 96.18 C +HETATM 110 C HYP A 18 -6.426 19.773 -1.365 1.00 97.47 C +HETATM 111 O HYP A 18 -7.244 19.705 -2.295 1.00 97.08 O +HETATM 112 CB HYP A 18 -4.125 20.290 -2.237 1.00 95.65 C +HETATM 113 CG HYP A 18 -3.184 19.488 -3.104 1.00 95.05 C +HETATM 114 CD HYP A 18 -4.049 18.328 -3.561 1.00 95.91 C +HETATM 115 OD1 HYP A 18 -2.093 18.980 -2.338 1.00 94.46 O +ATOM 116 N GLY A 19 -6.735 20.246 -0.174 1.00 96.01 N +ATOM 117 CA GLY A 19 -8.016 20.843 0.102 1.00 96.05 C +ATOM 118 C GLY A 19 -8.161 22.163 -0.642 1.00 96.52 C +ATOM 119 O GLY A 19 -7.187 22.688 -1.184 1.00 95.50 O +ATOM 120 N PRO A 20 -9.374 22.761 -0.660 1.00 95.70 N +ATOM 121 CA PRO A 20 -9.593 24.024 -1.344 1.00 95.79 C +ATOM 122 C PRO A 20 -8.925 25.177 -0.614 1.00 95.71 C +ATOM 123 O PRO A 20 -8.724 25.122 0.596 1.00 93.60 O +ATOM 124 CB PRO A 20 -11.112 24.169 -1.365 1.00 93.86 C +ATOM 125 CG PRO A 20 -11.533 23.449 -0.129 1.00 91.33 C +ATOM 126 CD PRO A 20 -10.597 22.266 -0.047 1.00 94.55 C +HETATM 127 N HYP A 21 -8.599 26.307 -1.323 1.00 95.06 N +HETATM 128 CA HYP A 21 -8.046 27.435 -0.599 1.00 93.22 C +HETATM 129 C HYP A 21 -9.239 28.109 0.169 1.00 94.48 C +HETATM 130 O HYP A 21 -9.393 27.665 1.255 1.00 92.48 O +HETATM 131 CB HYP A 21 -7.650 28.523 -1.695 1.00 93.74 C +HETATM 132 CG HYP A 21 -7.575 27.763 -2.988 1.00 92.31 C +HETATM 133 CD HYP A 21 -8.524 26.561 -2.776 1.00 93.38 C +HETATM 134 OD1 HYP A 21 -6.260 27.247 -3.121 1.00 89.89 O +HETATM 135 OXT HYP A 21 -9.992 28.945 -0.391 1.00 90.33 O +TER 136 HYP A 21 +END diff --git a/protein_pdb_360.txt b/protein_pdb_360.txt new file mode 100644 index 0000000000000000000000000000000000000000..fceee818f4b60bb5b07794b439fa5a5a02b70636 --- /dev/null +++ b/protein_pdb_360.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 8.693 -5.989 -10.230 1.00 80.64 N +ATOM 2 CA GLY A 1 8.412 -4.574 -10.399 1.00 81.51 C +ATOM 3 C GLY A 1 8.537 -3.835 -9.089 1.00 82.80 C +ATOM 4 O GLY A 1 8.807 -4.444 -8.055 1.00 78.80 O +ATOM 5 N PRO A 2 8.334 -2.526 -9.113 1.00 83.94 N +ATOM 6 CA PRO A 2 8.464 -1.722 -7.902 1.00 85.25 C +ATOM 7 C PRO A 2 7.340 -1.984 -6.915 1.00 85.83 C +ATOM 8 O PRO A 2 6.296 -2.521 -7.265 1.00 82.55 O +ATOM 9 CB PRO A 2 8.418 -0.292 -8.431 1.00 81.74 C +ATOM 10 CG PRO A 2 7.629 -0.387 -9.680 1.00 78.24 C +ATOM 11 CD PRO A 2 7.983 -1.711 -10.278 1.00 78.65 C +HETATM 12 N HYP A 3 7.592 -1.642 -5.722 1.00 83.75 N +HETATM 13 CA HYP A 3 6.536 -1.684 -4.672 1.00 83.38 C +HETATM 14 C HYP A 3 5.333 -0.863 -5.050 1.00 87.38 C +HETATM 15 O HYP A 3 5.496 0.156 -5.770 1.00 89.55 O +HETATM 16 CB HYP A 3 7.274 -1.079 -3.447 1.00 85.23 C +HETATM 17 CG HYP A 3 8.744 -1.417 -3.681 1.00 81.00 C +HETATM 18 CD HYP A 3 8.872 -1.218 -5.213 1.00 85.36 C +HETATM 19 OD1 HYP A 3 8.933 -2.761 -3.375 1.00 85.62 O +ATOM 20 N GLY A 4 4.195 -1.330 -4.654 1.00 90.11 N +ATOM 21 CA GLY A 4 2.991 -0.600 -4.911 1.00 89.27 C +ATOM 22 C GLY A 4 2.960 0.700 -4.131 1.00 89.80 C +ATOM 23 O GLY A 4 3.783 0.932 -3.243 1.00 89.23 O +ATOM 24 N PRO A 5 2.006 1.563 -4.464 1.00 88.74 N +ATOM 25 CA PRO A 5 1.896 2.844 -3.783 1.00 87.99 C +ATOM 26 C PRO A 5 1.350 2.689 -2.374 1.00 88.10 C +ATOM 27 O PRO A 5 0.764 1.667 -2.031 1.00 86.65 O +ATOM 28 CB PRO A 5 0.933 3.621 -4.672 1.00 85.84 C +ATOM 29 CG PRO A 5 0.072 2.567 -5.275 1.00 84.24 C +ATOM 30 CD PRO A 5 0.984 1.393 -5.494 1.00 85.99 C +HETATM 31 N HYP A 6 1.574 3.730 -1.572 1.00 88.26 N +HETATM 32 CA HYP A 6 0.999 3.752 -0.240 1.00 91.55 C +HETATM 33 C HYP A 6 -0.507 3.698 -0.288 1.00 91.85 C +HETATM 34 O HYP A 6 -1.119 4.197 -1.261 1.00 91.12 O +HETATM 35 CB HYP A 6 1.460 5.159 0.281 1.00 85.23 C +HETATM 36 CG HYP A 6 2.725 5.438 -0.472 1.00 84.34 C +HETATM 37 CD HYP A 6 2.423 4.889 -1.846 1.00 87.05 C +HETATM 38 OD1 HYP A 6 3.777 4.697 0.110 1.00 86.13 O +ATOM 39 N GLY A 7 -1.070 3.076 0.682 1.00 89.93 N +ATOM 40 CA GLY A 7 -2.503 3.029 0.784 1.00 88.55 C +ATOM 41 C GLY A 7 -3.074 4.411 1.040 1.00 88.94 C +ATOM 42 O GLY A 7 -2.348 5.363 1.318 1.00 88.06 O +ATOM 43 N PRO A 8 -4.386 4.521 0.940 1.00 90.90 N +ATOM 44 CA PRO A 8 -5.037 5.812 1.112 1.00 90.55 C +ATOM 45 C PRO A 8 -5.126 6.241 2.563 1.00 90.92 C +ATOM 46 O PRO A 8 -5.167 5.422 3.473 1.00 88.46 O +ATOM 47 CB PRO A 8 -6.421 5.579 0.530 1.00 87.80 C +ATOM 48 CG PRO A 8 -6.678 4.141 0.798 1.00 86.78 C +ATOM 49 CD PRO A 8 -5.337 3.470 0.622 1.00 88.33 C +HETATM 50 N HYP A 9 -5.168 7.571 2.705 1.00 84.69 N +HETATM 51 CA HYP A 9 -5.396 8.145 4.019 1.00 87.85 C +HETATM 52 C HYP A 9 -6.888 7.962 4.331 1.00 86.48 C +HETATM 53 O HYP A 9 -7.686 7.585 3.515 1.00 86.71 O +HETATM 54 CB HYP A 9 -5.295 9.665 3.829 1.00 80.99 C +HETATM 55 CG HYP A 9 -4.552 9.844 2.572 1.00 79.97 C +HETATM 56 CD HYP A 9 -4.914 8.677 1.729 1.00 85.33 C +HETATM 57 OD1 HYP A 9 -3.174 9.756 2.872 1.00 81.62 O +ATOM 58 N GLY A 10 -7.353 8.455 5.363 1.00 86.00 N +ATOM 59 CA GLY A 10 -8.768 8.536 5.624 1.00 84.09 C +ATOM 60 C GLY A 10 -9.049 8.478 7.108 1.00 83.84 C +ATOM 61 O GLY A 10 -8.136 8.535 7.931 1.00 81.36 O +ATOM 62 N ILE A 11 -10.322 8.346 7.437 1.00 88.12 N +ATOM 63 CA ILE A 11 -10.697 8.314 8.839 1.00 89.06 C +ATOM 64 C ILE A 11 -10.118 7.119 9.574 1.00 88.31 C +ATOM 65 O ILE A 11 -10.071 7.109 10.804 1.00 84.71 O +ATOM 66 CB ILE A 11 -12.223 8.354 9.013 1.00 89.66 C +ATOM 67 CG1 ILE A 11 -12.874 7.121 8.394 1.00 86.58 C +ATOM 68 CG2 ILE A 11 -12.800 9.635 8.422 1.00 83.09 C +ATOM 69 CD1 ILE A 11 -14.343 6.978 8.744 1.00 78.75 C +ATOM 70 N LYS A 12 -9.693 6.118 8.825 1.00 85.52 N +ATOM 71 CA LYS A 12 -9.088 4.933 9.433 1.00 86.28 C +ATOM 72 C LYS A 12 -7.641 5.141 9.849 1.00 87.02 C +ATOM 73 O LYS A 12 -7.091 4.295 10.565 1.00 83.20 O +ATOM 74 CB LYS A 12 -9.183 3.743 8.478 1.00 79.83 C +ATOM 75 CG LYS A 12 -10.597 3.263 8.243 1.00 74.05 C +ATOM 76 CD LYS A 12 -10.616 2.033 7.359 1.00 69.90 C +ATOM 77 CE LYS A 12 -12.021 1.476 7.216 1.00 65.40 C +ATOM 78 NZ LYS A 12 -12.016 0.247 6.394 1.00 61.54 N +ATOM 79 N GLY A 13 -7.002 6.208 9.392 1.00 91.67 N +ATOM 80 CA GLY A 13 -5.631 6.466 9.793 1.00 92.01 C +ATOM 81 C GLY A 13 -4.735 6.878 8.654 1.00 92.83 C +ATOM 82 O GLY A 13 -5.200 7.305 7.598 1.00 92.53 O +ATOM 83 N PRO A 14 -3.432 6.783 8.877 1.00 92.50 N +ATOM 84 CA PRO A 14 -2.459 7.212 7.890 1.00 92.26 C +ATOM 85 C PRO A 14 -2.413 6.294 6.684 1.00 92.61 C +ATOM 86 O PRO A 14 -3.038 5.233 6.671 1.00 90.61 O +ATOM 87 CB PRO A 14 -1.141 7.180 8.663 1.00 90.26 C +ATOM 88 CG PRO A 14 -1.351 6.116 9.674 1.00 89.24 C +ATOM 89 CD PRO A 14 -2.787 6.235 10.071 1.00 90.11 C +HETATM 90 N HYP A 15 -1.637 6.726 5.721 1.00 90.07 N +HETATM 91 CA HYP A 15 -1.473 5.911 4.541 1.00 91.67 C +HETATM 92 C HYP A 15 -0.987 4.521 4.865 1.00 92.18 C +HETATM 93 O HYP A 15 -0.189 4.375 5.825 1.00 91.88 O +HETATM 94 CB HYP A 15 -0.396 6.643 3.719 1.00 89.30 C +HETATM 95 CG HYP A 15 -0.453 8.062 4.226 1.00 87.41 C +HETATM 96 CD HYP A 15 -0.814 7.916 5.700 1.00 89.88 C +HETATM 97 OD1 HYP A 15 -1.478 8.737 3.569 1.00 87.75 O +ATOM 98 N GLY A 16 -1.461 3.582 4.136 1.00 93.94 N +ATOM 99 CA GLY A 16 -0.994 2.240 4.303 1.00 93.17 C +ATOM 100 C GLY A 16 0.412 2.084 3.765 1.00 93.41 C +ATOM 101 O GLY A 16 0.955 2.987 3.131 1.00 93.12 O +ATOM 102 N PRO A 17 1.013 0.931 4.023 1.00 92.03 N +ATOM 103 CA PRO A 17 2.363 0.682 3.544 1.00 90.85 C +ATOM 104 C PRO A 17 2.381 0.436 2.046 1.00 91.42 C +ATOM 105 O PRO A 17 1.354 0.147 1.437 1.00 89.73 O +ATOM 106 CB PRO A 17 2.781 -0.568 4.310 1.00 88.96 C +ATOM 107 CG PRO A 17 1.497 -1.276 4.553 1.00 88.00 C +ATOM 108 CD PRO A 17 0.474 -0.199 4.768 1.00 89.06 C +HETATM 109 N HYP A 18 3.568 0.566 1.476 1.00 87.37 N +HETATM 110 CA HYP A 18 3.718 0.209 0.095 1.00 88.55 C +HETATM 111 C HYP A 18 3.334 -1.212 -0.178 1.00 89.46 C +HETATM 112 O HYP A 18 3.513 -2.080 0.707 1.00 88.63 O +HETATM 113 CB HYP A 18 5.225 0.417 -0.143 1.00 86.28 C +HETATM 114 CG HYP A 18 5.628 1.452 0.891 1.00 85.83 C +HETATM 115 CD HYP A 18 4.766 1.078 2.083 1.00 89.04 C +HETATM 116 OD1 HYP A 18 5.260 2.742 0.441 1.00 86.29 O +ATOM 117 N GLY A 19 2.794 -1.454 -1.331 1.00 89.03 N +ATOM 118 CA GLY A 19 2.473 -2.790 -1.734 1.00 88.08 C +ATOM 119 C GLY A 19 3.733 -3.593 -1.995 1.00 88.00 C +ATOM 120 O GLY A 19 4.837 -3.060 -2.022 1.00 87.72 O +ATOM 121 N PRO A 20 3.559 -4.886 -2.187 1.00 87.13 N +ATOM 122 CA PRO A 20 4.702 -5.743 -2.445 1.00 86.06 C +ATOM 123 C PRO A 20 5.279 -5.501 -3.831 1.00 86.01 C +ATOM 124 O PRO A 20 4.628 -4.921 -4.697 1.00 84.98 O +ATOM 125 CB PRO A 20 4.117 -7.147 -2.321 1.00 83.48 C +ATOM 126 CG PRO A 20 2.696 -6.971 -2.693 1.00 80.98 C +ATOM 127 CD PRO A 20 2.294 -5.614 -2.179 1.00 82.61 C +HETATM 128 N HYP A 21 6.506 -5.935 -3.996 1.00 84.75 N +HETATM 129 CA HYP A 21 7.104 -5.877 -5.311 1.00 87.06 C +HETATM 130 C HYP A 21 6.289 -6.569 -6.382 1.00 85.47 C +HETATM 131 O HYP A 21 5.644 -7.585 -6.074 1.00 89.45 O +HETATM 132 CB HYP A 21 8.453 -6.580 -5.135 1.00 85.04 C +HETATM 133 CG HYP A 21 8.776 -6.421 -3.662 1.00 81.45 C +HETATM 134 CD HYP A 21 7.427 -6.507 -2.992 1.00 86.59 C +HETATM 135 OD1 HYP A 21 9.273 -5.096 -3.432 1.00 82.86 O +ATOM 136 N GLY A 22 6.195 -5.965 -7.537 1.00 89.10 N +ATOM 137 CA GLY A 22 5.493 -6.559 -8.633 1.00 87.39 C +ATOM 138 C GLY A 22 6.245 -7.763 -9.174 1.00 87.12 C +ATOM 139 O GLY A 22 7.332 -8.097 -8.698 1.00 86.11 O +ATOM 140 N PRO A 23 5.678 -8.411 -10.180 1.00 89.41 N +ATOM 141 CA PRO A 23 6.340 -9.573 -10.760 1.00 89.09 C +ATOM 142 C PRO A 23 7.624 -9.176 -11.457 1.00 88.22 C +ATOM 143 O PRO A 23 7.813 -8.029 -11.841 1.00 84.96 O +ATOM 144 CB PRO A 23 5.306 -10.118 -11.740 1.00 85.46 C +ATOM 145 CG PRO A 23 4.480 -8.939 -12.087 1.00 82.57 C +ATOM 146 CD PRO A 23 4.430 -8.094 -10.849 1.00 84.95 C +HETATM 147 N HYP A 24 8.472 -10.057 -11.637 1.00 87.16 N +HETATM 148 CA HYP A 24 9.766 -9.719 -12.237 1.00 82.93 C +HETATM 149 C HYP A 24 9.763 -8.513 -13.077 1.00 85.69 C +HETATM 150 O HYP A 24 10.315 -8.458 -14.165 1.00 83.89 O +HETATM 151 CB HYP A 24 10.261 -10.998 -12.825 1.00 82.38 C +HETATM 152 CG HYP A 24 9.530 -12.104 -12.118 1.00 82.65 C +HETATM 153 CD HYP A 24 8.210 -11.480 -11.688 1.00 86.34 C +HETATM 154 OD1 HYP A 24 10.224 -12.478 -10.934 1.00 84.08 O +HETATM 155 OXT HYP A 24 9.204 -7.537 -12.612 1.00 80.81 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_361.txt b/protein_pdb_361.txt new file mode 100644 index 0000000000000000000000000000000000000000..d156823d48cd82d3e09b0627fbb4ea9b5e1d5f75 --- /dev/null +++ b/protein_pdb_361.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 18.453 -29.246 -7.167 1.00 83.80 N +ATOM 2 CA GLY A 1 18.871 -27.922 -7.618 1.00 86.92 C +ATOM 3 C GLY A 1 18.527 -26.853 -6.599 1.00 86.94 C +ATOM 4 O GLY A 1 17.839 -27.130 -5.620 1.00 84.08 O +ATOM 5 N PRO A 2 18.966 -25.622 -6.798 1.00 87.62 N +ATOM 6 CA PRO A 2 18.672 -24.532 -5.864 1.00 89.68 C +ATOM 7 C PRO A 2 17.206 -24.133 -5.912 1.00 89.70 C +ATOM 8 O PRO A 2 16.525 -24.352 -6.910 1.00 88.86 O +ATOM 9 CB PRO A 2 19.574 -23.390 -6.327 1.00 87.29 C +ATOM 10 CG PRO A 2 19.738 -23.654 -7.786 1.00 83.43 C +ATOM 11 CD PRO A 2 19.788 -25.155 -7.917 1.00 84.42 C +HETATM 12 N HYP A 3 16.754 -23.619 -4.885 1.00 86.47 N +HETATM 13 CA HYP A 3 15.367 -23.045 -4.787 1.00 87.36 C +HETATM 14 C HYP A 3 15.114 -21.960 -5.808 1.00 83.88 C +HETATM 15 O HYP A 3 16.028 -21.202 -6.191 1.00 87.15 O +HETATM 16 CB HYP A 3 15.373 -22.472 -3.384 1.00 82.35 C +HETATM 17 CG HYP A 3 16.424 -23.263 -2.597 1.00 80.42 C +HETATM 18 CD HYP A 3 17.514 -23.465 -3.655 1.00 84.11 C +HETATM 19 OD1 HYP A 3 15.938 -24.507 -2.198 1.00 86.86 O +ATOM 20 N GLY A 4 13.870 -21.866 -6.285 1.00 90.22 N +ATOM 21 CA GLY A 4 13.499 -20.828 -7.212 1.00 89.77 C +ATOM 22 C GLY A 4 13.363 -19.486 -6.505 1.00 89.64 C +ATOM 23 O GLY A 4 13.387 -19.416 -5.274 1.00 88.81 O +ATOM 24 N PRO A 5 13.214 -18.407 -7.270 1.00 90.24 N +ATOM 25 CA PRO A 5 13.090 -17.073 -6.670 1.00 90.09 C +ATOM 26 C PRO A 5 11.740 -16.894 -5.986 1.00 90.00 C +ATOM 27 O PRO A 5 10.765 -17.563 -6.316 1.00 89.70 O +ATOM 28 CB PRO A 5 13.241 -16.134 -7.856 1.00 88.10 C +ATOM 29 CG PRO A 5 12.719 -16.937 -9.004 1.00 86.11 C +ATOM 30 CD PRO A 5 13.174 -18.358 -8.721 1.00 87.11 C +HETATM 31 N HYP A 6 11.691 -16.020 -5.032 1.00 87.58 N +HETATM 32 CA HYP A 6 10.401 -15.615 -4.389 1.00 91.56 C +HETATM 33 C HYP A 6 9.436 -15.027 -5.357 1.00 86.55 C +HETATM 34 O HYP A 6 9.842 -14.418 -6.383 1.00 84.83 O +HETATM 35 CB HYP A 6 10.862 -14.569 -3.377 1.00 79.40 C +HETATM 36 CG HYP A 6 12.289 -14.914 -3.058 1.00 80.34 C +HETATM 37 CD HYP A 6 12.807 -15.377 -4.392 1.00 85.08 C +HETATM 38 OD1 HYP A 6 12.370 -15.953 -2.113 1.00 85.61 O +ATOM 39 N GLY A 7 8.132 -15.186 -5.109 1.00 91.92 N +ATOM 40 CA GLY A 7 7.101 -14.621 -5.944 1.00 90.66 C +ATOM 41 C GLY A 7 7.044 -13.106 -5.814 1.00 90.53 C +ATOM 42 O GLY A 7 7.707 -12.519 -4.955 1.00 89.92 O +ATOM 43 N PRO A 8 6.239 -12.459 -6.651 1.00 88.64 N +ATOM 44 CA PRO A 8 6.125 -11.003 -6.604 1.00 88.67 C +ATOM 45 C PRO A 8 5.376 -10.539 -5.357 1.00 88.33 C +ATOM 46 O PRO A 8 4.589 -11.276 -4.782 1.00 87.09 O +ATOM 47 CB PRO A 8 5.367 -10.659 -7.876 1.00 86.65 C +ATOM 48 CG PRO A 8 4.544 -11.878 -8.121 1.00 86.54 C +ATOM 49 CD PRO A 8 5.416 -13.036 -7.702 1.00 88.14 C +HETATM 50 N HYP A 9 5.588 -9.318 -4.946 1.00 85.67 N +HETATM 51 CA HYP A 9 4.857 -8.697 -3.856 1.00 86.09 C +HETATM 52 C HYP A 9 3.412 -8.549 -4.165 1.00 85.55 C +HETATM 53 O HYP A 9 3.017 -8.379 -5.337 1.00 83.93 O +HETATM 54 CB HYP A 9 5.532 -7.301 -3.753 1.00 84.78 C +HETATM 55 CG HYP A 9 6.918 -7.521 -4.258 1.00 81.72 C +HETATM 56 CD HYP A 9 6.701 -8.516 -5.347 1.00 85.53 C +HETATM 57 OD1 HYP A 9 7.712 -8.107 -3.240 1.00 80.93 O +ATOM 58 N GLY A 10 2.571 -8.533 -3.122 1.00 89.17 N +ATOM 59 CA GLY A 10 1.149 -8.345 -3.287 1.00 86.70 C +ATOM 60 C GLY A 10 0.822 -6.959 -3.826 1.00 86.60 C +ATOM 61 O GLY A 10 1.663 -6.053 -3.826 1.00 85.30 O +ATOM 62 N ALA A 11 -0.414 -6.805 -4.282 1.00 85.99 N +ATOM 63 CA ALA A 11 -0.854 -5.533 -4.834 1.00 85.84 C +ATOM 64 C ALA A 11 -0.889 -4.450 -3.765 1.00 85.32 C +ATOM 65 O ALA A 11 -1.222 -4.707 -2.608 1.00 81.96 O +ATOM 66 CB ALA A 11 -2.230 -5.683 -5.464 1.00 82.44 C +ATOM 67 N LEU A 12 -0.563 -3.222 -4.163 1.00 82.64 N +ATOM 68 CA LEU A 12 -0.613 -2.084 -3.255 1.00 83.02 C +ATOM 69 C LEU A 12 -2.067 -1.832 -2.864 1.00 83.34 C +ATOM 70 O LEU A 12 -2.953 -1.851 -3.722 1.00 78.54 O +ATOM 71 CB LEU A 12 -0.019 -0.845 -3.929 1.00 79.02 C +ATOM 72 CG LEU A 12 0.009 0.442 -3.102 1.00 74.00 C +ATOM 73 CD1 LEU A 12 0.901 0.286 -1.898 1.00 71.95 C +ATOM 74 CD2 LEU A 12 0.483 1.600 -3.969 1.00 69.05 C +ATOM 75 N GLY A 13 -2.283 -1.612 -1.569 1.00 83.79 N +ATOM 76 CA GLY A 13 -3.629 -1.357 -1.090 1.00 81.36 C +ATOM 77 C GLY A 13 -4.181 -0.022 -1.554 1.00 82.93 C +ATOM 78 O GLY A 13 -3.452 0.807 -2.105 1.00 83.26 O +ATOM 79 N PRO A 14 -5.485 0.224 -1.336 1.00 82.12 N +ATOM 80 CA PRO A 14 -6.104 1.474 -1.754 1.00 84.35 C +ATOM 81 C PRO A 14 -5.638 2.644 -0.895 1.00 84.34 C +ATOM 82 O PRO A 14 -5.135 2.459 0.208 1.00 84.16 O +ATOM 83 CB PRO A 14 -7.601 1.213 -1.565 1.00 82.39 C +ATOM 84 CG PRO A 14 -7.644 0.212 -0.469 1.00 80.89 C +ATOM 85 CD PRO A 14 -6.449 -0.675 -0.706 1.00 79.70 C +HETATM 86 N HYP A 15 -5.825 3.867 -1.384 1.00 73.07 N +HETATM 87 CA HYP A 15 -5.524 5.066 -0.657 1.00 78.98 C +HETATM 88 C HYP A 15 -6.317 5.194 0.634 1.00 77.57 C +HETATM 89 O HYP A 15 -7.422 4.627 0.738 1.00 74.45 O +HETATM 90 CB HYP A 15 -5.936 6.146 -1.656 1.00 77.04 C +HETATM 91 CG HYP A 15 -5.735 5.495 -2.982 1.00 76.27 C +HETATM 92 CD HYP A 15 -6.188 4.109 -2.713 1.00 78.93 C +HETATM 93 OD1 HYP A 15 -4.395 5.493 -3.347 1.00 78.33 O +ATOM 94 N GLY A 16 -5.755 5.820 1.611 1.00 89.61 N +ATOM 95 CA GLY A 16 -6.445 6.030 2.851 1.00 88.06 C +ATOM 96 C GLY A 16 -7.599 7.012 2.691 1.00 88.62 C +ATOM 97 O GLY A 16 -7.761 7.628 1.631 1.00 89.02 O +ATOM 98 N PRO A 17 -8.417 7.177 3.742 1.00 79.70 N +ATOM 99 CA PRO A 17 -9.554 8.087 3.669 1.00 81.38 C +ATOM 100 C PRO A 17 -9.115 9.544 3.638 1.00 81.33 C +ATOM 101 O PRO A 17 -8.032 9.886 4.097 1.00 82.73 O +ATOM 102 CB PRO A 17 -10.341 7.765 4.940 1.00 79.86 C +ATOM 103 CG PRO A 17 -9.297 7.299 5.890 1.00 76.72 C +ATOM 104 CD PRO A 17 -8.322 6.517 5.045 1.00 75.02 C +HETATM 105 N HYP A 18 -9.945 10.421 3.134 1.00 81.76 N +HETATM 106 CA HYP A 18 -9.717 11.843 3.131 1.00 88.79 C +HETATM 107 C HYP A 18 -9.692 12.424 4.530 1.00 79.86 C +HETATM 108 O HYP A 18 -10.307 11.877 5.476 1.00 83.28 O +HETATM 109 CB HYP A 18 -10.943 12.352 2.391 1.00 79.37 C +HETATM 110 CG HYP A 18 -11.378 11.249 1.512 1.00 79.77 C +HETATM 111 CD HYP A 18 -11.095 10.060 2.360 1.00 82.16 C +HETATM 112 OD1 HYP A 18 -10.612 11.188 0.338 1.00 84.48 O +ATOM 113 N GLY A 19 -8.960 13.497 4.715 1.00 87.91 N +ATOM 114 CA GLY A 19 -8.898 14.169 5.984 1.00 87.17 C +ATOM 115 C GLY A 19 -10.212 14.858 6.305 1.00 87.33 C +ATOM 116 O GLY A 19 -11.126 14.900 5.474 1.00 86.22 O +ATOM 117 N PRO A 20 -10.339 15.420 7.511 1.00 83.11 N +ATOM 118 CA PRO A 20 -11.575 16.087 7.911 1.00 82.68 C +ATOM 119 C PRO A 20 -11.773 17.393 7.162 1.00 82.83 C +ATOM 120 O PRO A 20 -10.826 17.983 6.649 1.00 81.75 O +ATOM 121 CB PRO A 20 -11.368 16.320 9.411 1.00 79.50 C +ATOM 122 CG PRO A 20 -9.894 16.420 9.553 1.00 77.73 C +ATOM 123 CD PRO A 20 -9.333 15.422 8.564 1.00 78.66 C +HETATM 124 N HYP A 21 -13.002 17.893 7.111 1.00 88.48 N +HETATM 125 CA HYP A 21 -13.334 19.144 6.470 1.00 87.05 C +HETATM 126 C HYP A 21 -12.721 20.359 7.153 1.00 85.29 C +HETATM 127 O HYP A 21 -12.506 20.328 8.375 1.00 87.98 O +HETATM 128 CB HYP A 21 -14.872 19.225 6.686 1.00 85.68 C +HETATM 129 CG HYP A 21 -15.322 17.809 6.803 1.00 81.09 C +HETATM 130 CD HYP A 21 -14.182 17.156 7.522 1.00 85.23 C +HETATM 131 OD1 HYP A 21 -15.457 17.229 5.522 1.00 86.21 O +ATOM 132 N GLY A 22 -12.347 21.363 6.411 1.00 86.14 N +ATOM 133 CA GLY A 22 -11.810 22.574 6.952 1.00 84.96 C +ATOM 134 C GLY A 22 -12.890 23.359 7.683 1.00 85.04 C +ATOM 135 O GLY A 22 -14.063 22.985 7.674 1.00 82.36 O +ATOM 136 N PRO A 23 -12.529 24.499 8.300 1.00 87.54 N +ATOM 137 CA PRO A 23 -13.512 25.303 9.021 1.00 87.76 C +ATOM 138 C PRO A 23 -14.477 25.977 8.066 1.00 87.04 C +ATOM 139 O PRO A 23 -14.147 26.222 6.907 1.00 83.67 O +ATOM 140 CB PRO A 23 -12.659 26.316 9.780 1.00 83.18 C +ATOM 141 CG PRO A 23 -11.439 26.446 8.931 1.00 80.32 C +ATOM 142 CD PRO A 23 -11.190 25.067 8.380 1.00 80.79 C +HETATM 143 N HYP A 24 -15.683 26.383 8.543 1.00 86.26 N +HETATM 144 CA HYP A 24 -16.622 27.033 7.612 1.00 85.83 C +HETATM 145 C HYP A 24 -16.109 28.441 7.287 1.00 84.46 C +HETATM 146 O HYP A 24 -16.705 29.179 6.604 1.00 85.17 O +HETATM 147 CB HYP A 24 -17.886 27.245 8.522 1.00 86.85 C +HETATM 148 CG HYP A 24 -17.770 26.303 9.653 1.00 83.47 C +HETATM 149 CD HYP A 24 -16.259 26.143 9.864 1.00 86.11 C +HETATM 150 OD1 HYP A 24 -18.308 25.067 9.282 1.00 81.59 O +HETATM 151 OXT HYP A 24 -15.038 28.767 7.774 1.00 82.11 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_362.txt b/protein_pdb_362.txt new file mode 100644 index 0000000000000000000000000000000000000000..a79b4b3f6a23f9b0f04bb671b13fe4eec83bfaa5 --- /dev/null +++ b/protein_pdb_362.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 10.388 -6.132 -9.066 1.00 87.24 N +ATOM 2 CA GLY A 1 10.188 -4.698 -9.227 1.00 88.81 C +ATOM 3 C GLY A 1 10.041 -4.016 -7.891 1.00 89.80 C +ATOM 4 O GLY A 1 10.051 -4.680 -6.853 1.00 87.88 O +ATOM 5 N PRO A 2 9.890 -2.693 -7.879 1.00 91.04 N +ATOM 6 CA PRO A 2 9.759 -1.954 -6.632 1.00 91.35 C +ATOM 7 C PRO A 2 8.431 -2.218 -5.943 1.00 91.43 C +ATOM 8 O PRO A 2 7.484 -2.688 -6.552 1.00 89.64 O +ATOM 9 CB PRO A 2 9.881 -0.499 -7.075 1.00 88.91 C +ATOM 10 CG PRO A 2 9.366 -0.509 -8.465 1.00 85.53 C +ATOM 11 CD PRO A 2 9.850 -1.808 -9.041 1.00 87.38 C +HETATM 12 N HYP A 3 8.414 -1.949 -4.684 1.00 87.35 N +HETATM 13 CA HYP A 3 7.141 -2.025 -3.930 1.00 86.28 C +HETATM 14 C HYP A 3 6.095 -1.132 -4.526 1.00 87.08 C +HETATM 15 O HYP A 3 6.431 -0.084 -5.102 1.00 92.27 O +HETATM 16 CB HYP A 3 7.561 -1.529 -2.524 1.00 87.41 C +HETATM 17 CG HYP A 3 9.019 -1.879 -2.426 1.00 85.45 C +HETATM 18 CD HYP A 3 9.519 -1.594 -3.852 1.00 88.04 C +HETATM 19 OD1 HYP A 3 9.139 -3.244 -2.144 1.00 88.35 O +ATOM 20 N GLY A 4 4.864 -1.574 -4.423 1.00 93.41 N +ATOM 21 CA GLY A 4 3.767 -0.792 -4.919 1.00 92.67 C +ATOM 22 C GLY A 4 3.582 0.462 -4.080 1.00 93.00 C +ATOM 23 O GLY A 4 4.197 0.624 -3.025 1.00 93.40 O +ATOM 24 N PRO A 5 2.727 1.364 -4.548 1.00 93.54 N +ATOM 25 CA PRO A 5 2.491 2.603 -3.822 1.00 92.69 C +ATOM 26 C PRO A 5 1.688 2.372 -2.554 1.00 92.50 C +ATOM 27 O PRO A 5 1.038 1.345 -2.395 1.00 91.63 O +ATOM 28 CB PRO A 5 1.719 3.447 -4.828 1.00 91.79 C +ATOM 29 CG PRO A 5 0.991 2.445 -5.643 1.00 89.96 C +ATOM 30 CD PRO A 5 1.942 1.293 -5.778 1.00 91.70 C +HETATM 31 N HYP A 6 1.762 3.337 -1.649 1.00 91.36 N +HETATM 32 CA HYP A 6 0.968 3.270 -0.448 1.00 93.95 C +HETATM 33 C HYP A 6 -0.512 3.238 -0.755 1.00 92.65 C +HETATM 34 O HYP A 6 -0.955 3.815 -1.773 1.00 92.56 O +HETATM 35 CB HYP A 6 1.330 4.615 0.247 1.00 90.14 C +HETATM 36 CG HYP A 6 2.698 4.960 -0.272 1.00 89.11 C +HETATM 37 CD HYP A 6 2.613 4.489 -1.706 1.00 90.85 C +HETATM 38 OD1 HYP A 6 3.653 4.179 0.417 1.00 90.22 O +ATOM 39 N GLY A 7 -1.235 2.554 0.068 1.00 94.33 N +ATOM 40 CA GLY A 7 -2.657 2.499 -0.093 1.00 93.45 C +ATOM 41 C GLY A 7 -3.276 3.859 0.173 1.00 93.74 C +ATOM 42 O GLY A 7 -2.609 4.784 0.634 1.00 93.69 O +ATOM 43 N PRO A 8 -4.559 3.989 -0.124 1.00 94.70 N +ATOM 44 CA PRO A 8 -5.236 5.261 0.078 1.00 94.15 C +ATOM 45 C PRO A 8 -5.473 5.554 1.548 1.00 94.42 C +ATOM 46 O PRO A 8 -5.483 4.661 2.383 1.00 93.02 O +ATOM 47 CB PRO A 8 -6.545 5.078 -0.672 1.00 93.05 C +ATOM 48 CG PRO A 8 -6.803 3.623 -0.561 1.00 91.88 C +ATOM 49 CD PRO A 8 -5.439 2.979 -0.679 1.00 93.48 C +HETATM 50 N HYP A 9 -5.677 6.831 1.847 1.00 89.09 N +HETATM 51 CA HYP A 9 -5.991 7.233 3.166 1.00 90.95 C +HETATM 52 C HYP A 9 -7.357 6.700 3.591 1.00 89.68 C +HETATM 53 O HYP A 9 -8.284 6.657 2.761 1.00 89.97 O +HETATM 54 CB HYP A 9 -6.112 8.794 3.046 1.00 85.87 C +HETATM 55 CG HYP A 9 -5.329 9.144 1.837 1.00 85.60 C +HETATM 56 CD HYP A 9 -5.503 7.987 0.937 1.00 88.02 C +HETATM 57 OD1 HYP A 9 -3.970 9.236 2.211 1.00 86.32 O +ATOM 58 N GLY A 10 -7.522 6.294 4.788 1.00 91.80 N +ATOM 59 CA GLY A 10 -8.821 5.943 5.298 1.00 89.39 C +ATOM 60 C GLY A 10 -9.556 7.203 5.700 1.00 88.44 C +ATOM 61 O GLY A 10 -9.001 8.302 5.665 1.00 86.89 O +ATOM 62 N ASN A 11 -10.804 7.048 6.102 1.00 92.62 N +ATOM 63 CA ASN A 11 -11.559 8.214 6.547 1.00 92.92 C +ATOM 64 C ASN A 11 -10.877 8.916 7.711 1.00 93.28 C +ATOM 65 O ASN A 11 -10.950 10.135 7.831 1.00 90.01 O +ATOM 66 CB ASN A 11 -12.963 7.809 6.981 1.00 90.84 C +ATOM 67 CG ASN A 11 -13.878 7.528 5.822 1.00 85.63 C +ATOM 68 OD1 ASN A 11 -13.641 7.964 4.703 1.00 81.25 O +ATOM 69 ND2 ASN A 11 -14.958 6.807 6.088 1.00 79.35 N +ATOM 70 N LYS A 12 -10.261 8.122 8.571 1.00 90.52 N +ATOM 71 CA LYS A 12 -9.596 8.649 9.759 1.00 92.08 C +ATOM 72 C LYS A 12 -8.274 7.925 10.012 1.00 91.69 C +ATOM 73 O LYS A 12 -7.919 7.652 11.157 1.00 87.92 O +ATOM 74 CB LYS A 12 -10.504 8.489 10.986 1.00 89.35 C +ATOM 75 CG LYS A 12 -11.831 9.208 10.868 1.00 86.30 C +ATOM 76 CD LYS A 12 -12.671 9.024 12.108 1.00 81.24 C +ATOM 77 CE LYS A 12 -13.994 9.758 11.980 1.00 77.29 C +ATOM 78 NZ LYS A 12 -14.806 9.610 13.210 1.00 71.23 N +ATOM 79 N GLY A 13 -7.550 7.613 8.950 1.00 94.77 N +ATOM 80 CA GLY A 13 -6.341 6.851 9.124 1.00 94.01 C +ATOM 81 C GLY A 13 -5.291 7.125 8.080 1.00 94.33 C +ATOM 82 O GLY A 13 -5.561 7.780 7.072 1.00 93.62 O +ATOM 83 N PRO A 14 -4.103 6.633 8.326 1.00 94.80 N +ATOM 84 CA PRO A 14 -2.991 6.831 7.417 1.00 94.36 C +ATOM 85 C PRO A 14 -3.130 5.978 6.171 1.00 94.71 C +ATOM 86 O PRO A 14 -3.977 5.093 6.096 1.00 93.41 O +ATOM 87 CB PRO A 14 -1.783 6.404 8.237 1.00 93.30 C +ATOM 88 CG PRO A 14 -2.338 5.346 9.127 1.00 92.20 C +ATOM 89 CD PRO A 14 -3.713 5.839 9.487 1.00 93.03 C +HETATM 90 N HYP A 15 -2.283 6.281 5.259 1.00 92.67 N +HETATM 91 CA HYP A 15 -2.220 5.456 4.058 1.00 92.77 C +HETATM 92 C HYP A 15 -1.907 4.033 4.369 1.00 93.78 C +HETATM 93 O HYP A 15 -1.247 3.766 5.399 1.00 93.01 O +HETATM 94 CB HYP A 15 -1.054 6.130 3.290 1.00 89.51 C +HETATM 95 CG HYP A 15 -0.994 7.559 3.821 1.00 87.00 C +HETATM 96 CD HYP A 15 -1.354 7.392 5.279 1.00 90.65 C +HETATM 97 OD1 HYP A 15 -1.950 8.348 3.175 1.00 89.53 O +ATOM 98 N GLY A 16 -2.367 3.144 3.538 1.00 95.14 N +ATOM 99 CA GLY A 16 -2.062 1.758 3.711 1.00 94.67 C +ATOM 100 C GLY A 16 -0.600 1.489 3.421 1.00 95.11 C +ATOM 101 O GLY A 16 0.122 2.370 2.956 1.00 94.84 O +ATOM 102 N PRO A 17 -0.162 0.266 3.695 1.00 94.63 N +ATOM 103 CA PRO A 17 1.229 -0.081 3.462 1.00 93.85 C +ATOM 104 C PRO A 17 1.533 -0.188 1.978 1.00 94.32 C +ATOM 105 O PRO A 17 0.635 -0.344 1.156 1.00 93.29 O +ATOM 106 CB PRO A 17 1.379 -1.424 4.167 1.00 92.76 C +ATOM 107 CG PRO A 17 0.015 -2.009 4.095 1.00 91.38 C +ATOM 108 CD PRO A 17 -0.916 -0.843 4.257 1.00 92.83 C +HETATM 109 N HYP A 18 2.811 -0.092 1.649 1.00 88.87 N +HETATM 110 CA HYP A 18 3.221 -0.306 0.306 1.00 88.75 C +HETATM 111 C HYP A 18 2.839 -1.668 -0.194 1.00 89.86 C +HETATM 112 O HYP A 18 2.775 -2.636 0.600 1.00 90.34 O +HETATM 113 CB HYP A 18 4.761 -0.181 0.397 1.00 85.50 C +HETATM 114 CG HYP A 18 5.012 0.682 1.602 1.00 85.02 C +HETATM 115 CD HYP A 18 3.898 0.240 2.529 1.00 89.52 C +HETATM 116 OD1 HYP A 18 4.815 2.044 1.246 1.00 88.72 O +ATOM 117 N GLY A 19 2.563 -1.769 -1.458 1.00 93.43 N +ATOM 118 CA GLY A 19 2.262 -3.027 -2.060 1.00 92.58 C +ATOM 119 C GLY A 19 3.501 -3.899 -2.121 1.00 92.80 C +ATOM 120 O GLY A 19 4.610 -3.447 -1.844 1.00 93.18 O +ATOM 121 N PRO A 20 3.320 -5.157 -2.495 1.00 90.13 N +ATOM 122 CA PRO A 20 4.442 -6.069 -2.579 1.00 89.46 C +ATOM 123 C PRO A 20 5.332 -5.742 -3.766 1.00 89.11 C +ATOM 124 O PRO A 20 4.936 -5.025 -4.676 1.00 89.38 O +ATOM 125 CB PRO A 20 3.769 -7.427 -2.735 1.00 87.36 C +ATOM 126 CG PRO A 20 2.492 -7.105 -3.417 1.00 83.58 C +ATOM 127 CD PRO A 20 2.054 -5.794 -2.831 1.00 85.24 C +HETATM 128 N HYP A 21 6.551 -6.274 -3.717 1.00 85.65 N +HETATM 129 CA HYP A 21 7.430 -6.121 -4.833 1.00 86.36 C +HETATM 130 C HYP A 21 6.849 -6.627 -6.135 1.00 84.67 C +HETATM 131 O HYP A 21 6.105 -7.613 -6.112 1.00 91.52 O +HETATM 132 CB HYP A 21 8.662 -6.954 -4.458 1.00 84.23 C +HETATM 133 CG HYP A 21 8.660 -6.969 -2.952 1.00 80.74 C +HETATM 134 CD HYP A 21 7.195 -7.013 -2.614 1.00 87.39 C +HETATM 135 OD1 HYP A 21 9.196 -5.742 -2.453 1.00 83.94 O +ATOM 136 N GLY A 22 7.082 -5.916 -7.204 1.00 91.90 N +ATOM 137 CA GLY A 22 6.622 -6.324 -8.493 1.00 89.79 C +ATOM 138 C GLY A 22 7.370 -7.557 -8.958 1.00 89.82 C +ATOM 139 O GLY A 22 8.277 -8.042 -8.282 1.00 89.51 O +ATOM 140 N PRO A 23 7.019 -8.068 -10.129 1.00 94.41 N +ATOM 141 CA PRO A 23 7.688 -9.259 -10.644 1.00 93.99 C +ATOM 142 C PRO A 23 9.142 -8.974 -10.968 1.00 93.02 C +ATOM 143 O PRO A 23 9.533 -7.834 -11.183 1.00 90.42 O +ATOM 144 CB PRO A 23 6.882 -9.606 -11.886 1.00 91.85 C +ATOM 145 CG PRO A 23 6.317 -8.306 -12.316 1.00 89.36 C +ATOM 146 CD PRO A 23 6.003 -7.575 -11.036 1.00 92.49 C +HETATM 147 N HYP A 24 9.940 -9.915 -10.991 1.00 91.86 N +HETATM 148 CA HYP A 24 11.332 -9.702 -11.268 1.00 83.83 C +HETATM 149 C HYP A 24 11.706 -8.536 -12.075 1.00 87.99 C +HETATM 150 O HYP A 24 11.134 -7.525 -11.946 1.00 85.08 O +HETATM 151 CB HYP A 24 11.821 -11.039 -11.848 1.00 85.01 C +HETATM 152 CG HYP A 24 10.817 -12.062 -11.465 1.00 84.72 C +HETATM 153 CD HYP A 24 9.550 -11.281 -11.185 1.00 89.94 C +HETATM 154 OD1 HYP A 24 11.198 -12.700 -10.261 1.00 85.99 O +HETATM 155 OXT HYP A 24 12.668 -8.546 -12.896 1.00 85.96 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_363.txt b/protein_pdb_363.txt new file mode 100644 index 0000000000000000000000000000000000000000..d832466e47907cd7ba38a21e1b81ccf7fd7ab716 --- /dev/null +++ b/protein_pdb_363.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 9.732 -9.539 5.162 1.00 84.14 N +ATOM 2 CA GLY A 1 9.046 -9.788 3.909 1.00 87.03 C +ATOM 3 C GLY A 1 8.989 -8.546 3.060 1.00 88.63 C +ATOM 4 O GLY A 1 9.475 -7.483 3.455 1.00 86.15 O +ATOM 5 N PRO A 2 8.331 -8.584 1.844 1.00 84.04 N +ATOM 6 CA PRO A 2 8.232 -7.437 0.953 1.00 85.78 C +ATOM 7 C PRO A 2 7.245 -6.411 1.470 1.00 86.13 C +ATOM 8 O PRO A 2 6.419 -6.690 2.327 1.00 83.05 O +ATOM 9 CB PRO A 2 7.761 -8.056 -0.358 1.00 82.24 C +ATOM 10 CG PRO A 2 7.003 -9.259 0.066 1.00 78.70 C +ATOM 11 CD PRO A 2 7.716 -9.779 1.276 1.00 80.00 C +HETATM 12 N HYP A 3 7.369 -5.199 0.929 1.00 85.77 N +HETATM 13 CA HYP A 3 6.393 -4.165 1.271 1.00 84.76 C +HETATM 14 C HYP A 3 5.010 -4.620 0.944 1.00 87.88 C +HETATM 15 O HYP A 3 4.813 -5.385 -0.023 1.00 89.02 O +HETATM 16 CB HYP A 3 6.777 -2.991 0.324 1.00 86.40 C +HETATM 17 CG HYP A 3 8.249 -3.199 0.046 1.00 81.75 C +HETATM 18 CD HYP A 3 8.372 -4.738 -0.010 1.00 85.35 C +HETATM 19 OD1 HYP A 3 8.966 -2.723 1.154 1.00 83.93 O +ATOM 20 N GLY A 4 4.083 -4.226 1.775 1.00 89.60 N +ATOM 21 CA GLY A 4 2.703 -4.536 1.534 1.00 89.35 C +ATOM 22 C GLY A 4 2.196 -3.839 0.292 1.00 90.41 C +ATOM 23 O GLY A 4 2.837 -2.927 -0.237 1.00 90.06 O +ATOM 24 N PRO A 5 1.037 -4.265 -0.183 1.00 89.94 N +ATOM 25 CA PRO A 5 0.477 -3.645 -1.374 1.00 90.56 C +ATOM 26 C PRO A 5 -0.009 -2.240 -1.081 1.00 90.34 C +ATOM 27 O PRO A 5 -0.255 -1.875 0.057 1.00 87.87 O +ATOM 28 CB PRO A 5 -0.680 -4.569 -1.732 1.00 88.56 C +ATOM 29 CG PRO A 5 -1.087 -5.153 -0.430 1.00 86.50 C +ATOM 30 CD PRO A 5 0.181 -5.311 0.354 1.00 88.68 C +HETATM 31 N HYP A 6 -0.129 -1.460 -2.172 1.00 90.28 N +HETATM 32 CA HYP A 6 -0.701 -0.149 -2.018 1.00 90.38 C +HETATM 33 C HYP A 6 -2.083 -0.238 -1.468 1.00 91.97 C +HETATM 34 O HYP A 6 -2.799 -1.226 -1.715 1.00 89.55 O +HETATM 35 CB HYP A 6 -0.751 0.342 -3.500 1.00 87.84 C +HETATM 36 CG HYP A 6 0.346 -0.401 -4.191 1.00 86.17 C +HETATM 37 CD HYP A 6 0.278 -1.762 -3.536 1.00 89.35 C +HETATM 38 OD1 HYP A 6 1.580 0.206 -3.902 1.00 85.80 O +ATOM 39 N GLY A 7 -2.438 0.722 -0.679 1.00 91.32 N +ATOM 40 CA GLY A 7 -3.764 0.764 -0.132 1.00 90.05 C +ATOM 41 C GLY A 7 -4.797 0.910 -1.226 1.00 91.00 C +ATOM 42 O GLY A 7 -4.479 1.245 -2.365 1.00 90.72 O +ATOM 43 N PRO A 8 -6.035 0.649 -0.884 1.00 91.64 N +ATOM 44 CA PRO A 8 -7.091 0.756 -1.881 1.00 91.25 C +ATOM 45 C PRO A 8 -7.364 2.203 -2.245 1.00 91.32 C +ATOM 46 O PRO A 8 -7.091 3.119 -1.485 1.00 88.55 O +ATOM 47 CB PRO A 8 -8.290 0.116 -1.194 1.00 88.78 C +ATOM 48 CG PRO A 8 -8.041 0.359 0.246 1.00 87.51 C +ATOM 49 CD PRO A 8 -6.548 0.256 0.420 1.00 89.86 C +HETATM 50 N HYP A 9 -7.923 2.368 -3.456 1.00 87.67 N +HETATM 51 CA HYP A 9 -8.349 3.651 -3.844 1.00 87.37 C +HETATM 52 C HYP A 9 -9.434 4.129 -2.958 1.00 90.18 C +HETATM 53 O HYP A 9 -10.299 3.354 -2.525 1.00 88.34 O +HETATM 54 CB HYP A 9 -8.925 3.450 -5.273 1.00 85.30 C +HETATM 55 CG HYP A 9 -8.235 2.237 -5.782 1.00 83.29 C +HETATM 56 CD HYP A 9 -8.058 1.393 -4.568 1.00 87.07 C +HETATM 57 OD1 HYP A 9 -6.979 2.596 -6.284 1.00 83.46 O +ATOM 58 N GLY A 10 -9.434 5.352 -2.560 1.00 90.11 N +ATOM 59 CA GLY A 10 -10.525 5.912 -1.796 1.00 87.91 C +ATOM 60 C GLY A 10 -11.668 6.230 -2.738 1.00 88.39 C +ATOM 61 O GLY A 10 -11.785 5.668 -3.823 1.00 86.97 O +ATOM 62 N ASP A 11 -12.491 7.145 -2.330 1.00 85.73 N +ATOM 63 CA ASP A 11 -13.567 7.603 -3.197 1.00 88.71 C +ATOM 64 C ASP A 11 -12.929 8.463 -4.291 1.00 89.47 C +ATOM 65 O ASP A 11 -12.790 9.673 -4.152 1.00 86.75 O +ATOM 66 CB ASP A 11 -14.579 8.397 -2.378 1.00 86.54 C +ATOM 67 CG ASP A 11 -15.775 8.829 -3.192 1.00 80.63 C +ATOM 68 OD1 ASP A 11 -15.903 8.415 -4.358 1.00 78.18 O +ATOM 69 OD2 ASP A 11 -16.603 9.594 -2.651 1.00 76.80 O +ATOM 70 N SER A 12 -12.475 7.793 -5.332 1.00 89.26 N +ATOM 71 CA SER A 12 -11.661 8.384 -6.391 1.00 91.27 C +ATOM 72 C SER A 12 -10.293 8.797 -5.872 1.00 91.62 C +ATOM 73 O SER A 12 -9.552 9.508 -6.556 1.00 86.95 O +ATOM 74 CB SER A 12 -12.359 9.565 -7.054 1.00 86.22 C +ATOM 75 OG SER A 12 -11.716 9.912 -8.254 1.00 79.18 O +ATOM 76 N GLY A 13 -9.952 8.354 -4.691 1.00 92.40 N +ATOM 77 CA GLY A 13 -8.664 8.674 -4.117 1.00 91.54 C +ATOM 78 C GLY A 13 -7.582 7.772 -4.655 1.00 92.69 C +ATOM 79 O GLY A 13 -7.855 6.675 -5.143 1.00 92.16 O +ATOM 80 N PRO A 14 -6.348 8.222 -4.572 1.00 91.41 N +ATOM 81 CA PRO A 14 -5.239 7.405 -5.041 1.00 91.28 C +ATOM 82 C PRO A 14 -4.990 6.237 -4.106 1.00 91.71 C +ATOM 83 O PRO A 14 -5.416 6.240 -2.957 1.00 89.84 O +ATOM 84 CB PRO A 14 -4.058 8.373 -5.047 1.00 89.20 C +ATOM 85 CG PRO A 14 -4.392 9.346 -3.974 1.00 88.14 C +ATOM 86 CD PRO A 14 -5.887 9.497 -4.019 1.00 89.55 C +HETATM 87 N HYP A 15 -4.266 5.269 -4.657 1.00 91.16 N +HETATM 88 CA HYP A 15 -3.864 4.173 -3.818 1.00 91.78 C +HETATM 89 C HYP A 15 -3.018 4.657 -2.693 1.00 91.98 C +HETATM 90 O HYP A 15 -2.270 5.649 -2.836 1.00 91.66 O +HETATM 91 CB HYP A 15 -3.005 3.326 -4.799 1.00 88.47 C +HETATM 92 CG HYP A 15 -3.500 3.684 -6.174 1.00 84.63 C +HETATM 93 CD HYP A 15 -3.843 5.140 -6.044 1.00 89.98 C +HETATM 94 OD1 HYP A 15 -4.654 2.950 -6.476 1.00 85.87 O +ATOM 95 N GLY A 16 -3.161 4.030 -1.557 1.00 92.81 N +ATOM 96 CA GLY A 16 -2.332 4.351 -0.432 1.00 92.45 C +ATOM 97 C GLY A 16 -0.904 3.890 -0.658 1.00 93.33 C +ATOM 98 O GLY A 16 -0.613 3.178 -1.624 1.00 92.78 O +ATOM 99 N PRO A 17 -0.026 4.302 0.234 1.00 91.30 N +ATOM 100 CA PRO A 17 1.364 3.891 0.100 1.00 91.38 C +ATOM 101 C PRO A 17 1.530 2.409 0.372 1.00 91.82 C +ATOM 102 O PRO A 17 0.684 1.783 1.004 1.00 89.65 O +ATOM 103 CB PRO A 17 2.084 4.739 1.146 1.00 89.56 C +ATOM 104 CG PRO A 17 1.040 5.003 2.167 1.00 88.27 C +ATOM 105 CD PRO A 17 -0.248 5.133 1.410 1.00 89.99 C +HETATM 106 N HYP A 18 2.636 1.854 -0.126 1.00 88.29 N +HETATM 107 CA HYP A 18 2.932 0.504 0.183 1.00 89.08 C +HETATM 108 C HYP A 18 3.039 0.299 1.661 1.00 90.05 C +HETATM 109 O HYP A 18 3.477 1.211 2.397 1.00 89.17 O +HETATM 110 CB HYP A 18 4.315 0.307 -0.466 1.00 85.22 C +HETATM 111 CG HYP A 18 4.374 1.320 -1.584 1.00 84.47 C +HETATM 112 CD HYP A 18 3.616 2.493 -0.987 1.00 89.35 C +HETATM 113 OD1 HYP A 18 3.666 0.820 -2.714 1.00 85.33 O +ATOM 114 N GLY A 19 2.613 -0.844 2.105 1.00 88.70 N +ATOM 115 CA GLY A 19 2.729 -1.186 3.493 1.00 88.29 C +ATOM 116 C GLY A 19 4.183 -1.374 3.882 1.00 88.91 C +ATOM 117 O GLY A 19 5.072 -1.419 3.037 1.00 89.06 O +ATOM 118 N PRO A 20 4.415 -1.465 5.172 1.00 81.01 N +ATOM 119 CA PRO A 20 5.777 -1.664 5.633 1.00 82.15 C +ATOM 120 C PRO A 20 6.279 -3.053 5.285 1.00 81.91 C +ATOM 121 O PRO A 20 5.498 -3.957 5.004 1.00 82.38 O +ATOM 122 CB PRO A 20 5.666 -1.475 7.141 1.00 79.74 C +ATOM 123 CG PRO A 20 4.266 -1.861 7.442 1.00 76.54 C +ATOM 124 CD PRO A 20 3.452 -1.424 6.257 1.00 78.07 C +HETATM 125 N HYP A 21 7.599 -3.189 5.303 1.00 85.96 N +HETATM 126 CA HYP A 21 8.158 -4.490 5.095 1.00 84.98 C +HETATM 127 C HYP A 21 7.631 -5.495 6.076 1.00 86.06 C +HETATM 128 O HYP A 21 7.351 -5.131 7.212 1.00 90.41 O +HETATM 129 CB HYP A 21 9.651 -4.277 5.271 1.00 84.13 C +HETATM 130 CG HYP A 21 9.866 -2.829 4.890 1.00 78.23 C +HETATM 131 CD HYP A 21 8.622 -2.149 5.413 1.00 85.05 C +HETATM 132 OD1 HYP A 21 9.873 -2.726 3.470 1.00 81.02 O +ATOM 133 N GLY A 22 7.413 -6.695 5.618 1.00 83.31 N +ATOM 134 CA GLY A 22 6.937 -7.740 6.467 1.00 80.76 C +ATOM 135 C GLY A 22 7.986 -8.131 7.494 1.00 79.84 C +ATOM 136 O GLY A 22 9.082 -7.578 7.528 1.00 79.65 O +ATOM 137 N PRO A 23 7.654 -9.094 8.332 1.00 87.81 N +ATOM 138 CA PRO A 23 8.602 -9.524 9.345 1.00 88.26 C +ATOM 139 C PRO A 23 9.832 -10.145 8.707 1.00 86.73 C +ATOM 140 O PRO A 23 9.797 -10.611 7.573 1.00 82.59 O +ATOM 141 CB PRO A 23 7.814 -10.538 10.160 1.00 84.20 C +ATOM 142 CG PRO A 23 6.773 -11.026 9.231 1.00 81.10 C +ATOM 143 CD PRO A 23 6.430 -9.862 8.357 1.00 83.64 C +HETATM 144 N HYP A 24 10.822 -10.164 9.330 1.00 88.67 N +HETATM 145 CA HYP A 24 12.080 -10.666 8.728 1.00 80.22 C +HETATM 146 C HYP A 24 11.837 -11.524 7.557 1.00 87.29 C +HETATM 147 O HYP A 24 12.682 -12.294 7.131 1.00 80.71 O +HETATM 148 CB HYP A 24 12.788 -11.237 9.867 1.00 82.59 C +HETATM 149 CG HYP A 24 12.225 -10.595 11.113 1.00 79.50 C +HETATM 150 CD HYP A 24 10.818 -10.250 10.732 1.00 86.44 C +HETATM 151 OD1 HYP A 24 12.892 -9.374 11.402 1.00 81.21 O +HETATM 152 OXT HYP A 24 10.791 -11.488 6.952 1.00 79.79 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_364.txt b/protein_pdb_364.txt new file mode 100644 index 0000000000000000000000000000000000000000..d156823d48cd82d3e09b0627fbb4ea9b5e1d5f75 --- /dev/null +++ b/protein_pdb_364.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 18.453 -29.246 -7.167 1.00 83.80 N +ATOM 2 CA GLY A 1 18.871 -27.922 -7.618 1.00 86.92 C +ATOM 3 C GLY A 1 18.527 -26.853 -6.599 1.00 86.94 C +ATOM 4 O GLY A 1 17.839 -27.130 -5.620 1.00 84.08 O +ATOM 5 N PRO A 2 18.966 -25.622 -6.798 1.00 87.62 N +ATOM 6 CA PRO A 2 18.672 -24.532 -5.864 1.00 89.68 C +ATOM 7 C PRO A 2 17.206 -24.133 -5.912 1.00 89.70 C +ATOM 8 O PRO A 2 16.525 -24.352 -6.910 1.00 88.86 O +ATOM 9 CB PRO A 2 19.574 -23.390 -6.327 1.00 87.29 C +ATOM 10 CG PRO A 2 19.738 -23.654 -7.786 1.00 83.43 C +ATOM 11 CD PRO A 2 19.788 -25.155 -7.917 1.00 84.42 C +HETATM 12 N HYP A 3 16.754 -23.619 -4.885 1.00 86.47 N +HETATM 13 CA HYP A 3 15.367 -23.045 -4.787 1.00 87.36 C +HETATM 14 C HYP A 3 15.114 -21.960 -5.808 1.00 83.88 C +HETATM 15 O HYP A 3 16.028 -21.202 -6.191 1.00 87.15 O +HETATM 16 CB HYP A 3 15.373 -22.472 -3.384 1.00 82.35 C +HETATM 17 CG HYP A 3 16.424 -23.263 -2.597 1.00 80.42 C +HETATM 18 CD HYP A 3 17.514 -23.465 -3.655 1.00 84.11 C +HETATM 19 OD1 HYP A 3 15.938 -24.507 -2.198 1.00 86.86 O +ATOM 20 N GLY A 4 13.870 -21.866 -6.285 1.00 90.22 N +ATOM 21 CA GLY A 4 13.499 -20.828 -7.212 1.00 89.77 C +ATOM 22 C GLY A 4 13.363 -19.486 -6.505 1.00 89.64 C +ATOM 23 O GLY A 4 13.387 -19.416 -5.274 1.00 88.81 O +ATOM 24 N PRO A 5 13.214 -18.407 -7.270 1.00 90.24 N +ATOM 25 CA PRO A 5 13.090 -17.073 -6.670 1.00 90.09 C +ATOM 26 C PRO A 5 11.740 -16.894 -5.986 1.00 90.00 C +ATOM 27 O PRO A 5 10.765 -17.563 -6.316 1.00 89.70 O +ATOM 28 CB PRO A 5 13.241 -16.134 -7.856 1.00 88.10 C +ATOM 29 CG PRO A 5 12.719 -16.937 -9.004 1.00 86.11 C +ATOM 30 CD PRO A 5 13.174 -18.358 -8.721 1.00 87.11 C +HETATM 31 N HYP A 6 11.691 -16.020 -5.032 1.00 87.58 N +HETATM 32 CA HYP A 6 10.401 -15.615 -4.389 1.00 91.56 C +HETATM 33 C HYP A 6 9.436 -15.027 -5.357 1.00 86.55 C +HETATM 34 O HYP A 6 9.842 -14.418 -6.383 1.00 84.83 O +HETATM 35 CB HYP A 6 10.862 -14.569 -3.377 1.00 79.40 C +HETATM 36 CG HYP A 6 12.289 -14.914 -3.058 1.00 80.34 C +HETATM 37 CD HYP A 6 12.807 -15.377 -4.392 1.00 85.08 C +HETATM 38 OD1 HYP A 6 12.370 -15.953 -2.113 1.00 85.61 O +ATOM 39 N GLY A 7 8.132 -15.186 -5.109 1.00 91.92 N +ATOM 40 CA GLY A 7 7.101 -14.621 -5.944 1.00 90.66 C +ATOM 41 C GLY A 7 7.044 -13.106 -5.814 1.00 90.53 C +ATOM 42 O GLY A 7 7.707 -12.519 -4.955 1.00 89.92 O +ATOM 43 N PRO A 8 6.239 -12.459 -6.651 1.00 88.64 N +ATOM 44 CA PRO A 8 6.125 -11.003 -6.604 1.00 88.67 C +ATOM 45 C PRO A 8 5.376 -10.539 -5.357 1.00 88.33 C +ATOM 46 O PRO A 8 4.589 -11.276 -4.782 1.00 87.09 O +ATOM 47 CB PRO A 8 5.367 -10.659 -7.876 1.00 86.65 C +ATOM 48 CG PRO A 8 4.544 -11.878 -8.121 1.00 86.54 C +ATOM 49 CD PRO A 8 5.416 -13.036 -7.702 1.00 88.14 C +HETATM 50 N HYP A 9 5.588 -9.318 -4.946 1.00 85.67 N +HETATM 51 CA HYP A 9 4.857 -8.697 -3.856 1.00 86.09 C +HETATM 52 C HYP A 9 3.412 -8.549 -4.165 1.00 85.55 C +HETATM 53 O HYP A 9 3.017 -8.379 -5.337 1.00 83.93 O +HETATM 54 CB HYP A 9 5.532 -7.301 -3.753 1.00 84.78 C +HETATM 55 CG HYP A 9 6.918 -7.521 -4.258 1.00 81.72 C +HETATM 56 CD HYP A 9 6.701 -8.516 -5.347 1.00 85.53 C +HETATM 57 OD1 HYP A 9 7.712 -8.107 -3.240 1.00 80.93 O +ATOM 58 N GLY A 10 2.571 -8.533 -3.122 1.00 89.17 N +ATOM 59 CA GLY A 10 1.149 -8.345 -3.287 1.00 86.70 C +ATOM 60 C GLY A 10 0.822 -6.959 -3.826 1.00 86.60 C +ATOM 61 O GLY A 10 1.663 -6.053 -3.826 1.00 85.30 O +ATOM 62 N ALA A 11 -0.414 -6.805 -4.282 1.00 85.99 N +ATOM 63 CA ALA A 11 -0.854 -5.533 -4.834 1.00 85.84 C +ATOM 64 C ALA A 11 -0.889 -4.450 -3.765 1.00 85.32 C +ATOM 65 O ALA A 11 -1.222 -4.707 -2.608 1.00 81.96 O +ATOM 66 CB ALA A 11 -2.230 -5.683 -5.464 1.00 82.44 C +ATOM 67 N LEU A 12 -0.563 -3.222 -4.163 1.00 82.64 N +ATOM 68 CA LEU A 12 -0.613 -2.084 -3.255 1.00 83.02 C +ATOM 69 C LEU A 12 -2.067 -1.832 -2.864 1.00 83.34 C +ATOM 70 O LEU A 12 -2.953 -1.851 -3.722 1.00 78.54 O +ATOM 71 CB LEU A 12 -0.019 -0.845 -3.929 1.00 79.02 C +ATOM 72 CG LEU A 12 0.009 0.442 -3.102 1.00 74.00 C +ATOM 73 CD1 LEU A 12 0.901 0.286 -1.898 1.00 71.95 C +ATOM 74 CD2 LEU A 12 0.483 1.600 -3.969 1.00 69.05 C +ATOM 75 N GLY A 13 -2.283 -1.612 -1.569 1.00 83.79 N +ATOM 76 CA GLY A 13 -3.629 -1.357 -1.090 1.00 81.36 C +ATOM 77 C GLY A 13 -4.181 -0.022 -1.554 1.00 82.93 C +ATOM 78 O GLY A 13 -3.452 0.807 -2.105 1.00 83.26 O +ATOM 79 N PRO A 14 -5.485 0.224 -1.336 1.00 82.12 N +ATOM 80 CA PRO A 14 -6.104 1.474 -1.754 1.00 84.35 C +ATOM 81 C PRO A 14 -5.638 2.644 -0.895 1.00 84.34 C +ATOM 82 O PRO A 14 -5.135 2.459 0.208 1.00 84.16 O +ATOM 83 CB PRO A 14 -7.601 1.213 -1.565 1.00 82.39 C +ATOM 84 CG PRO A 14 -7.644 0.212 -0.469 1.00 80.89 C +ATOM 85 CD PRO A 14 -6.449 -0.675 -0.706 1.00 79.70 C +HETATM 86 N HYP A 15 -5.825 3.867 -1.384 1.00 73.07 N +HETATM 87 CA HYP A 15 -5.524 5.066 -0.657 1.00 78.98 C +HETATM 88 C HYP A 15 -6.317 5.194 0.634 1.00 77.57 C +HETATM 89 O HYP A 15 -7.422 4.627 0.738 1.00 74.45 O +HETATM 90 CB HYP A 15 -5.936 6.146 -1.656 1.00 77.04 C +HETATM 91 CG HYP A 15 -5.735 5.495 -2.982 1.00 76.27 C +HETATM 92 CD HYP A 15 -6.188 4.109 -2.713 1.00 78.93 C +HETATM 93 OD1 HYP A 15 -4.395 5.493 -3.347 1.00 78.33 O +ATOM 94 N GLY A 16 -5.755 5.820 1.611 1.00 89.61 N +ATOM 95 CA GLY A 16 -6.445 6.030 2.851 1.00 88.06 C +ATOM 96 C GLY A 16 -7.599 7.012 2.691 1.00 88.62 C +ATOM 97 O GLY A 16 -7.761 7.628 1.631 1.00 89.02 O +ATOM 98 N PRO A 17 -8.417 7.177 3.742 1.00 79.70 N +ATOM 99 CA PRO A 17 -9.554 8.087 3.669 1.00 81.38 C +ATOM 100 C PRO A 17 -9.115 9.544 3.638 1.00 81.33 C +ATOM 101 O PRO A 17 -8.032 9.886 4.097 1.00 82.73 O +ATOM 102 CB PRO A 17 -10.341 7.765 4.940 1.00 79.86 C +ATOM 103 CG PRO A 17 -9.297 7.299 5.890 1.00 76.72 C +ATOM 104 CD PRO A 17 -8.322 6.517 5.045 1.00 75.02 C +HETATM 105 N HYP A 18 -9.945 10.421 3.134 1.00 81.76 N +HETATM 106 CA HYP A 18 -9.717 11.843 3.131 1.00 88.79 C +HETATM 107 C HYP A 18 -9.692 12.424 4.530 1.00 79.86 C +HETATM 108 O HYP A 18 -10.307 11.877 5.476 1.00 83.28 O +HETATM 109 CB HYP A 18 -10.943 12.352 2.391 1.00 79.37 C +HETATM 110 CG HYP A 18 -11.378 11.249 1.512 1.00 79.77 C +HETATM 111 CD HYP A 18 -11.095 10.060 2.360 1.00 82.16 C +HETATM 112 OD1 HYP A 18 -10.612 11.188 0.338 1.00 84.48 O +ATOM 113 N GLY A 19 -8.960 13.497 4.715 1.00 87.91 N +ATOM 114 CA GLY A 19 -8.898 14.169 5.984 1.00 87.17 C +ATOM 115 C GLY A 19 -10.212 14.858 6.305 1.00 87.33 C +ATOM 116 O GLY A 19 -11.126 14.900 5.474 1.00 86.22 O +ATOM 117 N PRO A 20 -10.339 15.420 7.511 1.00 83.11 N +ATOM 118 CA PRO A 20 -11.575 16.087 7.911 1.00 82.68 C +ATOM 119 C PRO A 20 -11.773 17.393 7.162 1.00 82.83 C +ATOM 120 O PRO A 20 -10.826 17.983 6.649 1.00 81.75 O +ATOM 121 CB PRO A 20 -11.368 16.320 9.411 1.00 79.50 C +ATOM 122 CG PRO A 20 -9.894 16.420 9.553 1.00 77.73 C +ATOM 123 CD PRO A 20 -9.333 15.422 8.564 1.00 78.66 C +HETATM 124 N HYP A 21 -13.002 17.893 7.111 1.00 88.48 N +HETATM 125 CA HYP A 21 -13.334 19.144 6.470 1.00 87.05 C +HETATM 126 C HYP A 21 -12.721 20.359 7.153 1.00 85.29 C +HETATM 127 O HYP A 21 -12.506 20.328 8.375 1.00 87.98 O +HETATM 128 CB HYP A 21 -14.872 19.225 6.686 1.00 85.68 C +HETATM 129 CG HYP A 21 -15.322 17.809 6.803 1.00 81.09 C +HETATM 130 CD HYP A 21 -14.182 17.156 7.522 1.00 85.23 C +HETATM 131 OD1 HYP A 21 -15.457 17.229 5.522 1.00 86.21 O +ATOM 132 N GLY A 22 -12.347 21.363 6.411 1.00 86.14 N +ATOM 133 CA GLY A 22 -11.810 22.574 6.952 1.00 84.96 C +ATOM 134 C GLY A 22 -12.890 23.359 7.683 1.00 85.04 C +ATOM 135 O GLY A 22 -14.063 22.985 7.674 1.00 82.36 O +ATOM 136 N PRO A 23 -12.529 24.499 8.300 1.00 87.54 N +ATOM 137 CA PRO A 23 -13.512 25.303 9.021 1.00 87.76 C +ATOM 138 C PRO A 23 -14.477 25.977 8.066 1.00 87.04 C +ATOM 139 O PRO A 23 -14.147 26.222 6.907 1.00 83.67 O +ATOM 140 CB PRO A 23 -12.659 26.316 9.780 1.00 83.18 C +ATOM 141 CG PRO A 23 -11.439 26.446 8.931 1.00 80.32 C +ATOM 142 CD PRO A 23 -11.190 25.067 8.380 1.00 80.79 C +HETATM 143 N HYP A 24 -15.683 26.383 8.543 1.00 86.26 N +HETATM 144 CA HYP A 24 -16.622 27.033 7.612 1.00 85.83 C +HETATM 145 C HYP A 24 -16.109 28.441 7.287 1.00 84.46 C +HETATM 146 O HYP A 24 -16.705 29.179 6.604 1.00 85.17 O +HETATM 147 CB HYP A 24 -17.886 27.245 8.522 1.00 86.85 C +HETATM 148 CG HYP A 24 -17.770 26.303 9.653 1.00 83.47 C +HETATM 149 CD HYP A 24 -16.259 26.143 9.864 1.00 86.11 C +HETATM 150 OD1 HYP A 24 -18.308 25.067 9.282 1.00 81.59 O +HETATM 151 OXT HYP A 24 -15.038 28.767 7.774 1.00 82.11 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_365.txt b/protein_pdb_365.txt new file mode 100644 index 0000000000000000000000000000000000000000..5eaac273234102952a17581b6405e61928326860 --- /dev/null +++ b/protein_pdb_365.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 -16.349 21.531 21.424 1.00 89.70 N +ATOM 2 CA GLY A 1 -16.229 22.048 20.067 1.00 91.83 C +ATOM 3 C GLY A 1 -16.465 20.978 19.030 1.00 92.02 C +ATOM 4 O GLY A 1 -16.610 19.801 19.363 1.00 89.75 O +ATOM 5 N PRO A 2 -16.504 21.343 17.768 1.00 93.22 N +ATOM 6 CA PRO A 2 -16.719 20.364 16.705 1.00 94.28 C +ATOM 7 C PRO A 2 -15.499 19.469 16.508 1.00 94.14 C +ATOM 8 O PRO A 2 -14.395 19.814 16.909 1.00 92.74 O +ATOM 9 CB PRO A 2 -16.971 21.230 15.467 1.00 92.33 C +ATOM 10 CG PRO A 2 -16.221 22.483 15.749 1.00 88.87 C +ATOM 11 CD PRO A 2 -16.311 22.690 17.237 1.00 90.93 C +HETATM 12 N HYP A 3 -15.711 18.360 15.974 1.00 94.16 N +HETATM 13 CA HYP A 3 -14.610 17.413 15.577 1.00 93.25 C +HETATM 14 C HYP A 3 -13.600 18.072 14.669 1.00 94.28 C +HETATM 15 O HYP A 3 -13.954 18.927 13.839 1.00 93.03 O +HETATM 16 CB HYP A 3 -15.332 16.278 14.921 1.00 92.87 C +HETATM 17 CG HYP A 3 -16.776 16.328 15.427 1.00 90.97 C +HETATM 18 CD HYP A 3 -17.021 17.815 15.594 1.00 93.35 C +HETATM 19 OD1 HYP A 3 -16.898 15.683 16.651 1.00 91.92 O +ATOM 20 N GLY A 4 -12.328 17.713 14.780 1.00 94.92 N +ATOM 21 CA GLY A 4 -11.306 18.211 13.891 1.00 94.29 C +ATOM 22 C GLY A 4 -11.440 17.633 12.489 1.00 94.31 C +ATOM 23 O GLY A 4 -12.242 16.724 12.254 1.00 94.30 O +ATOM 24 N PRO A 5 -10.647 18.153 11.564 1.00 94.62 N +ATOM 25 CA PRO A 5 -10.715 17.659 10.191 1.00 94.28 C +ATOM 26 C PRO A 5 -10.172 16.239 10.079 1.00 94.63 C +ATOM 27 O PRO A 5 -9.390 15.798 10.914 1.00 94.27 O +ATOM 28 CB PRO A 5 -9.851 18.643 9.405 1.00 92.71 C +ATOM 29 CG PRO A 5 -8.892 19.160 10.419 1.00 90.73 C +ATOM 30 CD PRO A 5 -9.645 19.192 11.725 1.00 92.52 C +HETATM 31 N HYP A 6 -10.622 15.552 9.079 1.00 93.98 N +HETATM 32 CA HYP A 6 -10.040 14.209 8.761 1.00 94.65 C +HETATM 33 C HYP A 6 -8.590 14.240 8.540 1.00 91.88 C +HETATM 34 O HYP A 6 -8.031 15.212 7.991 1.00 90.72 O +HETATM 35 CB HYP A 6 -10.818 13.793 7.520 1.00 87.92 C +HETATM 36 CG HYP A 6 -12.105 14.569 7.540 1.00 86.61 C +HETATM 37 CD HYP A 6 -11.686 15.863 8.183 1.00 89.55 C +HETATM 38 OD1 HYP A 6 -13.080 13.924 8.320 1.00 89.80 O +ATOM 39 N GLY A 7 -7.855 13.193 8.982 1.00 95.21 N +ATOM 40 CA GLY A 7 -6.433 13.075 8.752 1.00 94.36 C +ATOM 41 C GLY A 7 -6.110 12.827 7.291 1.00 94.43 C +ATOM 42 O GLY A 7 -6.997 12.563 6.478 1.00 93.99 O +ATOM 43 N PRO A 8 -4.833 12.909 6.959 1.00 92.41 N +ATOM 44 CA PRO A 8 -4.427 12.651 5.581 1.00 92.65 C +ATOM 45 C PRO A 8 -4.584 11.175 5.226 1.00 92.11 C +ATOM 46 O PRO A 8 -4.578 10.314 6.095 1.00 91.02 O +ATOM 47 CB PRO A 8 -2.958 13.078 5.556 1.00 91.31 C +ATOM 48 CG PRO A 8 -2.505 12.879 6.959 1.00 90.63 C +ATOM 49 CD PRO A 8 -3.695 13.198 7.826 1.00 92.28 C +HETATM 50 N HYP A 9 -4.702 10.863 3.991 1.00 90.85 N +HETATM 51 CA HYP A 9 -4.744 9.499 3.488 1.00 89.97 C +HETATM 52 C HYP A 9 -3.514 8.743 3.805 1.00 90.07 C +HETATM 53 O HYP A 9 -2.405 9.315 3.850 1.00 85.25 O +HETATM 54 CB HYP A 9 -4.899 9.683 1.954 1.00 88.05 C +HETATM 55 CG HYP A 9 -5.558 11.003 1.814 1.00 87.56 C +HETATM 56 CD HYP A 9 -4.991 11.783 2.951 1.00 87.27 C +HETATM 57 OD1 HYP A 9 -6.960 10.879 1.991 1.00 84.76 O +ATOM 58 N GLY A 10 -3.625 7.434 4.055 1.00 92.01 N +ATOM 59 CA GLY A 10 -2.483 6.584 4.282 1.00 89.77 C +ATOM 60 C GLY A 10 -1.633 6.429 3.027 1.00 89.81 C +ATOM 61 O GLY A 10 -2.026 6.803 1.921 1.00 89.17 O +ATOM 62 N PHE A 11 -0.437 5.869 3.228 1.00 91.34 N +ATOM 63 CA PHE A 11 0.478 5.657 2.116 1.00 91.14 C +ATOM 64 C PHE A 11 0.024 4.478 1.255 1.00 91.38 C +ATOM 65 O PHE A 11 -0.592 3.526 1.736 1.00 90.43 O +ATOM 66 CB PHE A 11 1.884 5.348 2.625 1.00 88.75 C +ATOM 67 CG PHE A 11 2.517 6.455 3.421 1.00 83.67 C +ATOM 68 CD1 PHE A 11 2.203 7.781 3.191 1.00 80.67 C +ATOM 69 CD2 PHE A 11 3.467 6.163 4.396 1.00 78.55 C +ATOM 70 CE1 PHE A 11 2.810 8.800 3.933 1.00 76.39 C +ATOM 71 CE2 PHE A 11 4.079 7.167 5.124 1.00 76.88 C +ATOM 72 CZ PHE A 11 3.749 8.478 4.889 1.00 77.52 C +ATOM 73 N ILE A 12 0.372 4.542 -0.034 1.00 89.64 N +ATOM 74 CA ILE A 12 0.212 3.385 -0.908 1.00 90.09 C +ATOM 75 C ILE A 12 1.136 2.286 -0.391 1.00 89.74 C +ATOM 76 O ILE A 12 2.264 2.548 0.032 1.00 86.58 O +ATOM 77 CB ILE A 12 0.539 3.761 -2.368 1.00 87.76 C +ATOM 78 CG1 ILE A 12 -0.459 4.800 -2.878 1.00 84.05 C +ATOM 79 CG2 ILE A 12 0.530 2.532 -3.271 1.00 81.68 C +ATOM 80 CD1 ILE A 12 -0.064 5.440 -4.199 1.00 76.14 C +ATOM 81 N GLY A 13 0.626 1.064 -0.392 1.00 89.61 N +ATOM 82 CA GLY A 13 1.400 -0.053 0.124 1.00 87.69 C +ATOM 83 C GLY A 13 2.634 -0.368 -0.703 1.00 87.63 C +ATOM 84 O GLY A 13 2.809 0.148 -1.811 1.00 88.43 O +ATOM 85 N PRO A 14 3.511 -1.222 -0.171 1.00 90.14 N +ATOM 86 CA PRO A 14 4.730 -1.584 -0.881 1.00 90.68 C +ATOM 87 C PRO A 14 4.432 -2.429 -2.108 1.00 90.70 C +ATOM 88 O PRO A 14 3.378 -3.046 -2.211 1.00 90.24 O +ATOM 89 CB PRO A 14 5.533 -2.374 0.153 1.00 88.74 C +ATOM 90 CG PRO A 14 4.492 -2.960 1.034 1.00 87.20 C +ATOM 91 CD PRO A 14 3.397 -1.928 1.105 1.00 88.67 C +HETATM 92 N HYP A 15 5.385 -2.480 -3.016 1.00 83.28 N +HETATM 93 CA HYP A 15 5.295 -3.333 -4.202 1.00 86.37 C +HETATM 94 C HYP A 15 5.126 -4.792 -3.844 1.00 90.28 C +HETATM 95 O HYP A 15 5.564 -5.243 -2.774 1.00 75.32 O +HETATM 96 CB HYP A 15 6.652 -3.075 -4.848 1.00 87.95 C +HETATM 97 CG HYP A 15 7.076 -1.736 -4.351 1.00 78.29 C +HETATM 98 CD HYP A 15 6.550 -1.699 -2.972 1.00 82.40 C +HETATM 99 OD1 HYP A 15 6.480 -0.704 -5.106 1.00 82.23 O +ATOM 100 N GLY A 16 4.479 -5.524 -4.680 1.00 93.31 N +ATOM 101 CA GLY A 16 4.376 -6.949 -4.489 1.00 91.87 C +ATOM 102 C GLY A 16 5.722 -7.635 -4.667 1.00 92.10 C +ATOM 103 O GLY A 16 6.708 -7.012 -5.071 1.00 92.62 O +ATOM 104 N PRO A 17 5.769 -8.935 -4.356 1.00 90.01 N +ATOM 105 CA PRO A 17 7.021 -9.667 -4.495 1.00 90.38 C +ATOM 106 C PRO A 17 7.421 -9.811 -5.958 1.00 90.51 C +ATOM 107 O PRO A 17 6.579 -9.761 -6.849 1.00 91.02 O +ATOM 108 CB PRO A 17 6.720 -11.024 -3.861 1.00 88.16 C +ATOM 109 CG PRO A 17 5.250 -11.169 -3.995 1.00 86.01 C +ATOM 110 CD PRO A 17 4.679 -9.778 -3.888 1.00 87.51 C +HETATM 111 N HYP A 18 8.694 -10.002 -6.210 1.00 89.77 N +HETATM 112 CA HYP A 18 9.202 -10.248 -7.534 1.00 92.55 C +HETATM 113 C HYP A 18 8.601 -11.477 -8.178 1.00 91.38 C +HETATM 114 O HYP A 18 8.234 -12.450 -7.473 1.00 89.07 O +HETATM 115 CB HYP A 18 10.683 -10.406 -7.326 1.00 89.75 C +HETATM 116 CG HYP A 18 10.994 -9.699 -6.048 1.00 85.00 C +HETATM 117 CD HYP A 18 9.740 -9.890 -5.257 1.00 89.09 C +HETATM 118 OD1 HYP A 18 11.209 -8.326 -6.282 1.00 89.00 O +ATOM 119 N GLY A 19 8.371 -11.446 -9.472 1.00 93.02 N +ATOM 120 CA GLY A 19 7.905 -12.597 -10.196 1.00 92.55 C +ATOM 121 C GLY A 19 8.956 -13.690 -10.233 1.00 92.92 C +ATOM 122 O GLY A 19 10.112 -13.479 -9.858 1.00 92.98 O +ATOM 123 N PRO A 20 8.561 -14.874 -10.676 1.00 89.30 N +ATOM 124 CA PRO A 20 9.512 -15.980 -10.749 1.00 88.99 C +ATOM 125 C PRO A 20 10.531 -15.746 -11.852 1.00 88.82 C +ATOM 126 O PRO A 20 10.296 -14.997 -12.791 1.00 87.89 O +ATOM 127 CB PRO A 20 8.618 -17.183 -11.048 1.00 86.37 C +ATOM 128 CG PRO A 20 7.450 -16.598 -11.755 1.00 84.02 C +ATOM 129 CD PRO A 20 7.238 -15.237 -11.151 1.00 86.01 C +HETATM 130 N HYP A 21 11.688 -16.393 -11.756 1.00 92.45 N +HETATM 131 CA HYP A 21 12.699 -16.342 -12.797 1.00 92.18 C +HETATM 132 C HYP A 21 12.209 -16.849 -14.136 1.00 92.89 C +HETATM 133 O HYP A 21 11.366 -17.743 -14.173 1.00 92.29 O +HETATM 134 CB HYP A 21 13.803 -17.275 -12.248 1.00 90.92 C +HETATM 135 CG HYP A 21 13.640 -17.237 -10.737 1.00 87.91 C +HETATM 136 CD HYP A 21 12.150 -17.112 -10.573 1.00 90.70 C +HETATM 137 OD1 HYP A 21 14.247 -16.086 -10.163 1.00 90.48 O +ATOM 138 N GLY A 22 12.622 -16.239 -15.246 1.00 89.62 N +ATOM 139 CA GLY A 22 12.250 -16.683 -16.562 1.00 88.55 C +ATOM 140 C GLY A 22 12.801 -18.059 -16.868 1.00 88.40 C +ATOM 141 O GLY A 22 13.642 -18.587 -16.141 1.00 87.03 O +ATOM 142 N PRO A 23 12.354 -18.664 -17.965 1.00 92.44 N +ATOM 143 CA PRO A 23 12.848 -19.983 -18.342 1.00 92.45 C +ATOM 144 C PRO A 23 14.282 -19.909 -18.821 1.00 91.74 C +ATOM 145 O PRO A 23 14.750 -18.862 -19.266 1.00 89.13 O +ATOM 146 CB PRO A 23 11.891 -20.419 -19.453 1.00 89.20 C +ATOM 147 CG PRO A 23 11.442 -19.138 -20.058 1.00 86.38 C +ATOM 148 CD PRO A 23 11.377 -18.146 -18.919 1.00 89.40 C +HETATM 149 N HYP A 24 15.021 -20.997 -18.789 1.00 92.45 N +HETATM 150 CA HYP A 24 16.415 -20.967 -19.292 1.00 89.64 C +HETATM 151 C HYP A 24 16.422 -20.643 -20.740 1.00 91.18 C +HETATM 152 O HYP A 24 17.315 -19.987 -21.190 1.00 89.67 O +HETATM 153 CB HYP A 24 16.928 -22.419 -19.032 1.00 91.19 C +HETATM 154 CG HYP A 24 16.054 -22.991 -18.000 1.00 88.48 C +HETATM 155 CD HYP A 24 14.711 -22.281 -18.186 1.00 91.96 C +HETATM 156 OD1 HYP A 24 16.567 -22.671 -16.717 1.00 86.00 O +HETATM 157 OXT HYP A 24 15.503 -21.126 -21.467 1.00 82.48 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_366.txt b/protein_pdb_366.txt new file mode 100644 index 0000000000000000000000000000000000000000..b50dfc4e88af36323ea7d8d61b88bf18d00cff2b --- /dev/null +++ b/protein_pdb_366.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -7.908 14.847 0.795 1.00 92.90 N +ATOM 2 CA GLY A 1 -8.306 13.651 0.113 1.00 93.72 C +ATOM 3 C GLY A 1 -8.410 12.450 1.028 1.00 94.41 C +ATOM 4 O GLY A 1 -7.921 12.470 2.150 1.00 92.87 O +ATOM 5 N PRO A 2 -8.988 11.442 0.561 1.00 92.70 N +ATOM 6 CA PRO A 2 -9.158 10.232 1.343 1.00 93.18 C +ATOM 7 C PRO A 2 -7.876 9.420 1.434 1.00 93.04 C +ATOM 8 O PRO A 2 -6.944 9.612 0.661 1.00 91.49 O +ATOM 9 CB PRO A 2 -10.238 9.483 0.571 1.00 90.63 C +ATOM 10 CG PRO A 2 -10.008 9.898 -0.839 1.00 87.58 C +ATOM 11 CD PRO A 2 -9.614 11.354 -0.753 1.00 89.90 C +HETATM 12 N HYP A 3 -7.853 8.509 2.407 1.00 93.08 N +HETATM 13 CA HYP A 3 -6.707 7.614 2.543 1.00 89.28 C +HETATM 14 C HYP A 3 -6.533 6.707 1.321 1.00 92.27 C +HETATM 15 O HYP A 3 -7.547 6.373 0.659 1.00 94.25 O +HETATM 16 CB HYP A 3 -7.160 6.729 3.777 1.00 91.24 C +HETATM 17 CG HYP A 3 -8.065 7.649 4.568 1.00 88.13 C +HETATM 18 CD HYP A 3 -8.829 8.423 3.444 1.00 91.24 C +HETATM 19 OD1 HYP A 3 -7.280 8.547 5.293 1.00 90.68 O +ATOM 20 N GLY A 4 -5.316 6.405 0.995 1.00 92.92 N +ATOM 21 CA GLY A 4 -5.032 5.548 -0.121 1.00 91.98 C +ATOM 22 C GLY A 4 -5.458 4.118 0.159 1.00 92.10 C +ATOM 23 O GLY A 4 -5.838 3.773 1.273 1.00 92.28 O +ATOM 24 N PRO A 5 -5.388 3.262 -0.869 1.00 93.11 N +ATOM 25 CA PRO A 5 -5.779 1.865 -0.707 1.00 92.58 C +ATOM 26 C PRO A 5 -4.746 1.082 0.083 1.00 92.23 C +ATOM 27 O PRO A 5 -3.604 1.506 0.234 1.00 91.52 O +ATOM 28 CB PRO A 5 -5.878 1.366 -2.149 1.00 91.25 C +ATOM 29 CG PRO A 5 -4.865 2.192 -2.868 1.00 89.72 C +ATOM 30 CD PRO A 5 -4.942 3.552 -2.223 1.00 92.11 C +HETATM 31 N HYP A 6 -5.193 -0.087 0.601 1.00 93.95 N +HETATM 32 CA HYP A 6 -4.271 -0.985 1.269 1.00 94.19 C +HETATM 33 C HYP A 6 -3.161 -1.440 0.347 1.00 94.39 C +HETATM 34 O HYP A 6 -3.365 -1.507 -0.897 1.00 93.65 O +HETATM 35 CB HYP A 6 -5.192 -2.191 1.621 1.00 90.81 C +HETATM 36 CG HYP A 6 -6.568 -1.597 1.738 1.00 91.11 C +HETATM 37 CD HYP A 6 -6.569 -0.543 0.621 1.00 92.53 C +HETATM 38 OD1 HYP A 6 -6.693 -0.955 2.988 1.00 90.26 O +ATOM 39 N GLY A 7 -2.008 -1.697 0.880 1.00 92.81 N +ATOM 40 CA GLY A 7 -0.898 -2.174 0.111 1.00 92.39 C +ATOM 41 C GLY A 7 -1.150 -3.578 -0.418 1.00 92.62 C +ATOM 42 O GLY A 7 -2.098 -4.247 -0.015 1.00 92.51 O +ATOM 43 N PRO A 8 -0.294 -4.035 -1.321 1.00 94.32 N +ATOM 44 CA PRO A 8 -0.466 -5.346 -1.915 1.00 93.96 C +ATOM 45 C PRO A 8 -0.046 -6.483 -0.994 1.00 94.44 C +ATOM 46 O PRO A 8 0.787 -6.311 -0.111 1.00 93.10 O +ATOM 47 CB PRO A 8 0.413 -5.286 -3.161 1.00 91.80 C +ATOM 48 CG PRO A 8 1.505 -4.356 -2.765 1.00 90.88 C +ATOM 49 CD PRO A 8 0.841 -3.326 -1.889 1.00 92.87 C +HETATM 50 N HYP A 9 -0.664 -7.662 -1.283 1.00 92.87 N +HETATM 51 CA HYP A 9 -0.309 -8.863 -0.546 1.00 92.48 C +HETATM 52 C HYP A 9 1.066 -9.341 -0.974 1.00 94.27 C +HETATM 53 O HYP A 9 1.615 -8.924 -1.968 1.00 92.90 O +HETATM 54 CB HYP A 9 -1.244 -9.970 -1.094 1.00 89.19 C +HETATM 55 CG HYP A 9 -2.362 -9.246 -1.697 1.00 90.29 C +HETATM 56 CD HYP A 9 -1.790 -7.951 -2.191 1.00 91.72 C +HETATM 57 OD1 HYP A 9 -3.302 -8.983 -0.670 1.00 88.78 O +ATOM 58 N GLY A 10 1.667 -10.308 -0.420 1.00 92.51 N +ATOM 59 CA GLY A 10 2.888 -10.911 -0.889 1.00 90.68 C +ATOM 60 C GLY A 10 3.604 -11.631 0.228 1.00 90.71 C +ATOM 61 O GLY A 10 3.054 -11.849 1.305 1.00 89.46 O +ATOM 62 N PHE A 11 4.856 -12.006 -0.039 1.00 93.81 N +ATOM 63 CA PHE A 11 5.652 -12.688 0.974 1.00 94.64 C +ATOM 64 C PHE A 11 5.867 -11.814 2.195 1.00 94.87 C +ATOM 65 O PHE A 11 6.136 -12.317 3.280 1.00 93.34 O +ATOM 66 CB PHE A 11 7.012 -13.097 0.402 1.00 93.77 C +ATOM 67 CG PHE A 11 6.947 -14.236 -0.577 1.00 90.57 C +ATOM 68 CD1 PHE A 11 7.824 -14.293 -1.640 1.00 87.82 C +ATOM 69 CD2 PHE A 11 6.021 -15.257 -0.431 1.00 87.58 C +ATOM 70 CE1 PHE A 11 7.797 -15.349 -2.539 1.00 86.53 C +ATOM 71 CE2 PHE A 11 5.976 -16.317 -1.328 1.00 87.01 C +ATOM 72 CZ PHE A 11 6.872 -16.362 -2.381 1.00 87.36 C +ATOM 73 N GLN A 12 5.774 -10.506 2.017 1.00 90.20 N +ATOM 74 CA GLN A 12 5.938 -9.594 3.135 1.00 90.55 C +ATOM 75 C GLN A 12 4.694 -9.503 4.010 1.00 90.37 C +ATOM 76 O GLN A 12 4.714 -8.815 5.033 1.00 85.33 O +ATOM 77 CB GLN A 12 6.344 -8.217 2.624 1.00 86.92 C +ATOM 78 CG GLN A 12 7.728 -8.248 1.977 1.00 82.78 C +ATOM 79 CD GLN A 12 8.148 -6.921 1.401 1.00 76.24 C +ATOM 80 OE1 GLN A 12 7.320 -6.180 0.888 1.00 71.15 O +ATOM 81 NE2 GLN A 12 9.426 -6.625 1.475 1.00 69.80 N +ATOM 82 N GLY A 13 3.635 -10.190 3.638 1.00 94.59 N +ATOM 83 CA GLY A 13 2.457 -10.261 4.485 1.00 93.69 C +ATOM 84 C GLY A 13 1.176 -9.824 3.805 1.00 94.33 C +ATOM 85 O GLY A 13 1.119 -9.711 2.584 1.00 94.21 O +ATOM 86 N PRO A 14 0.151 -9.602 4.604 1.00 95.02 N +ATOM 87 CA PRO A 14 -1.147 -9.201 4.081 1.00 95.17 C +ATOM 88 C PRO A 14 -1.112 -7.774 3.557 1.00 95.31 C +ATOM 89 O PRO A 14 -0.091 -7.100 3.629 1.00 94.10 O +ATOM 90 CB PRO A 14 -2.068 -9.346 5.290 1.00 93.80 C +ATOM 91 CG PRO A 14 -1.182 -9.085 6.451 1.00 92.35 C +ATOM 92 CD PRO A 14 0.147 -9.683 6.069 1.00 93.94 C +HETATM 93 N HYP A 15 -2.282 -7.349 3.040 1.00 94.69 N +HETATM 94 CA HYP A 15 -2.337 -6.000 2.547 1.00 94.67 C +HETATM 95 C HYP A 15 -1.832 -5.005 3.538 1.00 95.78 C +HETATM 96 O HYP A 15 -2.082 -5.175 4.772 1.00 94.80 O +HETATM 97 CB HYP A 15 -3.828 -5.748 2.253 1.00 93.46 C +HETATM 98 CG HYP A 15 -4.360 -7.115 1.964 1.00 92.69 C +HETATM 99 CD HYP A 15 -3.579 -8.020 2.922 1.00 93.98 C +HETATM 100 OD1 HYP A 15 -4.079 -7.432 0.651 1.00 90.99 O +ATOM 101 N GLY A 16 -1.105 -4.042 3.080 1.00 95.40 N +ATOM 102 CA GLY A 16 -0.598 -3.020 3.947 1.00 95.05 C +ATOM 103 C GLY A 16 -1.709 -2.092 4.397 1.00 95.21 C +ATOM 104 O GLY A 16 -2.854 -2.216 3.958 1.00 94.94 O +ATOM 105 N PRO A 17 -1.368 -1.172 5.279 1.00 93.14 N +ATOM 106 CA PRO A 17 -2.371 -0.232 5.763 1.00 92.69 C +ATOM 107 C PRO A 17 -2.761 0.763 4.684 1.00 93.13 C +ATOM 108 O PRO A 17 -2.076 0.911 3.676 1.00 91.75 O +ATOM 109 CB PRO A 17 -1.666 0.457 6.929 1.00 90.96 C +ATOM 110 CG PRO A 17 -0.227 0.362 6.588 1.00 89.70 C +ATOM 111 CD PRO A 17 -0.060 -0.943 5.875 1.00 91.83 C +HETATM 112 N HYP A 18 -3.905 1.416 4.894 1.00 92.27 N +HETATM 113 CA HYP A 18 -4.295 2.451 3.988 1.00 89.58 C +HETATM 114 C HYP A 18 -3.268 3.535 3.845 1.00 93.86 C +HETATM 115 O HYP A 18 -2.542 3.823 4.830 1.00 91.33 O +HETATM 116 CB HYP A 18 -5.578 2.994 4.649 1.00 89.60 C +HETATM 117 CG HYP A 18 -6.129 1.799 5.417 1.00 88.28 C +HETATM 118 CD HYP A 18 -4.870 1.139 5.944 1.00 92.11 C +HETATM 119 OD1 HYP A 18 -6.795 0.919 4.535 1.00 89.12 O +ATOM 120 N GLY A 19 -3.138 4.066 2.684 1.00 89.72 N +ATOM 121 CA GLY A 19 -2.192 5.117 2.443 1.00 89.15 C +ATOM 122 C GLY A 19 -2.577 6.378 3.193 1.00 89.31 C +ATOM 123 O GLY A 19 -3.640 6.454 3.810 1.00 90.09 O +ATOM 124 N PRO A 20 -1.703 7.365 3.148 1.00 87.40 N +ATOM 125 CA PRO A 20 -1.967 8.609 3.857 1.00 87.56 C +ATOM 126 C PRO A 20 -3.065 9.422 3.191 1.00 87.12 C +ATOM 127 O PRO A 20 -3.365 9.243 2.014 1.00 87.88 O +ATOM 128 CB PRO A 20 -0.625 9.337 3.795 1.00 85.42 C +ATOM 129 CG PRO A 20 -0.022 8.846 2.525 1.00 82.77 C +ATOM 130 CD PRO A 20 -0.432 7.394 2.438 1.00 85.24 C +HETATM 131 N HYP A 21 -3.665 10.282 3.976 1.00 91.56 N +HETATM 132 CA HYP A 21 -4.638 11.179 3.440 1.00 90.89 C +HETATM 133 C HYP A 21 -4.101 12.071 2.356 1.00 92.97 C +HETATM 134 O HYP A 21 -2.919 12.467 2.437 1.00 93.49 O +HETATM 135 CB HYP A 21 -5.064 12.036 4.662 1.00 90.17 C +HETATM 136 CG HYP A 21 -4.732 11.207 5.857 1.00 87.49 C +HETATM 137 CD HYP A 21 -3.482 10.471 5.440 1.00 91.56 C +HETATM 138 OD1 HYP A 21 -5.776 10.246 6.070 1.00 88.85 O +ATOM 139 N GLY A 22 -4.826 12.291 1.333 1.00 90.34 N +ATOM 140 CA GLY A 22 -4.419 13.219 0.314 1.00 88.27 C +ATOM 141 C GLY A 22 -4.578 14.634 0.846 1.00 87.92 C +ATOM 142 O GLY A 22 -5.079 14.845 1.949 1.00 87.94 O +ATOM 143 N PRO A 23 -4.163 15.626 0.058 1.00 93.50 N +ATOM 144 CA PRO A 23 -4.342 17.005 0.505 1.00 93.29 C +ATOM 145 C PRO A 23 -5.827 17.349 0.469 1.00 92.22 C +ATOM 146 O PRO A 23 -6.469 17.235 -0.573 1.00 89.24 O +ATOM 147 CB PRO A 23 -3.529 17.824 -0.494 1.00 91.05 C +ATOM 148 CG PRO A 23 -3.289 16.938 -1.649 1.00 88.74 C +ATOM 149 CD PRO A 23 -3.494 15.513 -1.222 1.00 91.81 C +HETATM 150 N HYP A 24 -6.407 17.621 1.538 1.00 95.49 N +HETATM 151 CA HYP A 24 -7.903 17.556 1.636 1.00 91.92 C +HETATM 152 C HYP A 24 -8.588 16.355 1.466 1.00 94.98 C +HETATM 153 O HYP A 24 -9.680 16.278 0.748 1.00 93.87 O +HETATM 154 CB HYP A 24 -8.218 18.469 2.798 1.00 91.82 C +HETATM 155 CG HYP A 24 -7.057 19.455 2.795 1.00 90.99 C +HETATM 156 CD HYP A 24 -5.835 18.664 2.242 1.00 94.17 C +HETATM 157 OD1 HYP A 24 -6.756 19.969 4.072 1.00 90.49 O +HETATM 158 OXT HYP A 24 -8.670 15.444 2.473 1.00 89.77 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_367.txt b/protein_pdb_367.txt new file mode 100644 index 0000000000000000000000000000000000000000..fe23ab718e8a049375e6645584bb1a8ac4b5a3b1 --- /dev/null +++ b/protein_pdb_367.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 12.244 -7.339 1.776 1.00 85.24 N +ATOM 2 CA GLY A 1 11.085 -7.903 1.098 1.00 86.50 C +ATOM 3 C GLY A 1 10.517 -6.934 0.093 1.00 87.30 C +ATOM 4 O GLY A 1 11.002 -5.809 -0.024 1.00 84.42 O +ATOM 5 N PRO A 2 9.490 -7.348 -0.609 1.00 88.31 N +ATOM 6 CA PRO A 2 8.886 -6.484 -1.618 1.00 88.87 C +ATOM 7 C PRO A 2 8.115 -5.341 -1.000 1.00 89.21 C +ATOM 8 O PRO A 2 7.795 -5.348 0.183 1.00 86.76 O +ATOM 9 CB PRO A 2 7.960 -7.427 -2.385 1.00 86.08 C +ATOM 10 CG PRO A 2 7.599 -8.457 -1.387 1.00 83.29 C +ATOM 11 CD PRO A 2 8.832 -8.652 -0.553 1.00 84.25 C +HETATM 12 N HYP A 3 7.870 -4.394 -1.795 1.00 87.37 N +HETATM 13 CA HYP A 3 7.005 -3.267 -1.388 1.00 84.75 C +HETATM 14 C HYP A 3 5.658 -3.755 -0.910 1.00 87.17 C +HETATM 15 O HYP A 3 5.160 -4.790 -1.421 1.00 91.31 O +HETATM 16 CB HYP A 3 6.863 -2.468 -2.699 1.00 87.45 C +HETATM 17 CG HYP A 3 8.083 -2.830 -3.532 1.00 82.87 C +HETATM 18 CD HYP A 3 8.284 -4.329 -3.180 1.00 86.72 C +HETATM 19 OD1 HYP A 3 9.181 -2.107 -3.041 1.00 86.25 O +ATOM 20 N GLY A 4 5.115 -3.071 0.038 1.00 92.14 N +ATOM 21 CA GLY A 4 3.809 -3.414 0.517 1.00 91.45 C +ATOM 22 C GLY A 4 2.737 -3.087 -0.503 1.00 91.52 C +ATOM 23 O GLY A 4 3.015 -2.480 -1.540 1.00 91.04 O +ATOM 24 N PRO A 5 1.516 -3.485 -0.210 1.00 91.31 N +ATOM 25 CA PRO A 5 0.418 -3.218 -1.126 1.00 90.57 C +ATOM 26 C PRO A 5 0.015 -1.759 -1.105 1.00 90.40 C +ATOM 27 O PRO A 5 0.388 -1.009 -0.208 1.00 88.83 O +ATOM 28 CB PRO A 5 -0.697 -4.109 -0.591 1.00 89.27 C +ATOM 29 CG PRO A 5 -0.418 -4.173 0.865 1.00 87.85 C +ATOM 30 CD PRO A 5 1.077 -4.201 0.981 1.00 89.20 C +HETATM 31 N HYP A 6 -0.723 -1.362 -2.146 1.00 89.57 N +HETATM 32 CA HYP A 6 -1.290 -0.035 -2.158 1.00 94.15 C +HETATM 33 C HYP A 6 -2.098 0.262 -0.925 1.00 90.69 C +HETATM 34 O HYP A 6 -2.716 -0.675 -0.361 1.00 90.61 O +HETATM 35 CB HYP A 6 -2.171 -0.086 -3.430 1.00 87.25 C +HETATM 36 CG HYP A 6 -1.533 -1.132 -4.333 1.00 86.38 C +HETATM 37 CD HYP A 6 -1.069 -2.152 -3.323 1.00 87.95 C +HETATM 38 OD1 HYP A 6 -0.421 -0.574 -4.982 1.00 87.23 O +ATOM 39 N GLY A 7 -2.074 1.464 -0.494 1.00 91.11 N +ATOM 40 CA GLY A 7 -2.827 1.865 0.657 1.00 89.66 C +ATOM 41 C GLY A 7 -4.320 1.774 0.414 1.00 89.80 C +ATOM 42 O GLY A 7 -4.775 1.477 -0.691 1.00 88.92 O +ATOM 43 N PRO A 8 -5.082 2.035 1.464 1.00 91.90 N +ATOM 44 CA PRO A 8 -6.532 1.943 1.347 1.00 91.26 C +ATOM 45 C PRO A 8 -7.103 2.954 0.382 1.00 91.41 C +ATOM 46 O PRO A 8 -6.570 4.046 0.215 1.00 89.10 O +ATOM 47 CB PRO A 8 -7.026 2.238 2.766 1.00 89.55 C +ATOM 48 CG PRO A 8 -5.849 2.070 3.634 1.00 88.94 C +ATOM 49 CD PRO A 8 -4.657 2.400 2.799 1.00 90.62 C +HETATM 50 N HYP A 9 -8.210 2.596 -0.233 1.00 82.48 N +HETATM 51 CA HYP A 9 -8.896 3.482 -1.092 1.00 86.29 C +HETATM 52 C HYP A 9 -9.495 4.642 -0.309 1.00 83.39 C +HETATM 53 O HYP A 9 -10.019 4.393 0.804 1.00 85.39 O +HETATM 54 CB HYP A 9 -10.107 2.615 -1.617 1.00 79.08 C +HETATM 55 CG HYP A 9 -9.690 1.191 -1.431 1.00 78.79 C +HETATM 56 CD HYP A 9 -8.825 1.231 -0.223 1.00 84.38 C +HETATM 57 OD1 HYP A 9 -8.896 0.827 -2.546 1.00 80.90 O +ATOM 58 N GLY A 10 -9.424 5.802 -0.753 1.00 86.70 N +ATOM 59 CA GLY A 10 -10.156 6.884 -0.153 1.00 83.75 C +ATOM 60 C GLY A 10 -11.587 6.853 -0.648 1.00 83.04 C +ATOM 61 O GLY A 10 -11.900 6.229 -1.659 1.00 79.96 O +ATOM 62 N SER A 11 -12.455 7.537 0.061 1.00 84.64 N +ATOM 63 CA SER A 11 -13.839 7.584 -0.388 1.00 85.13 C +ATOM 64 C SER A 11 -13.960 8.342 -1.703 1.00 85.74 C +ATOM 65 O SER A 11 -14.910 8.129 -2.456 1.00 82.24 O +ATOM 66 CB SER A 11 -14.728 8.223 0.677 1.00 82.24 C +ATOM 67 OG SER A 11 -14.313 9.532 0.949 1.00 75.90 O +ATOM 68 N LYS A 12 -12.995 9.210 -1.951 1.00 81.87 N +ATOM 69 CA LYS A 12 -12.957 9.995 -3.180 1.00 84.80 C +ATOM 70 C LYS A 12 -11.524 10.139 -3.677 1.00 84.34 C +ATOM 71 O LYS A 12 -11.121 11.195 -4.150 1.00 79.08 O +ATOM 72 CB LYS A 12 -13.576 11.381 -2.951 1.00 79.64 C +ATOM 73 CG LYS A 12 -15.071 11.358 -2.693 1.00 76.28 C +ATOM 74 CD LYS A 12 -15.599 12.681 -2.186 1.00 71.98 C +ATOM 75 CE LYS A 12 -15.476 13.792 -3.193 1.00 68.81 C +ATOM 76 NZ LYS A 12 -16.035 15.057 -2.664 1.00 63.27 N +ATOM 77 N GLY A 13 -10.753 9.076 -3.582 1.00 90.86 N +ATOM 78 CA GLY A 13 -9.367 9.145 -3.982 1.00 89.80 C +ATOM 79 C GLY A 13 -8.779 7.785 -4.255 1.00 90.11 C +ATOM 80 O GLY A 13 -9.359 6.764 -3.886 1.00 89.14 O +ATOM 81 N PRO A 14 -7.646 7.763 -4.912 1.00 91.43 N +ATOM 82 CA PRO A 14 -7.004 6.508 -5.267 1.00 90.77 C +ATOM 83 C PRO A 14 -6.360 5.846 -4.065 1.00 91.22 C +ATOM 84 O PRO A 14 -6.185 6.453 -3.018 1.00 89.32 O +ATOM 85 CB PRO A 14 -5.956 6.921 -6.288 1.00 89.12 C +ATOM 86 CG PRO A 14 -5.585 8.300 -5.863 1.00 88.62 C +ATOM 87 CD PRO A 14 -6.874 8.917 -5.375 1.00 88.85 C +HETATM 88 N HYP A 15 -6.023 4.645 -4.305 1.00 90.28 N +HETATM 89 CA HYP A 15 -5.268 3.906 -3.301 1.00 88.85 C +HETATM 90 C HYP A 15 -3.974 4.593 -3.016 1.00 91.95 C +HETATM 91 O HYP A 15 -3.421 5.283 -3.914 1.00 90.15 O +HETATM 92 CB HYP A 15 -5.076 2.546 -4.003 1.00 87.87 C +HETATM 93 CG HYP A 15 -6.218 2.446 -5.005 1.00 85.88 C +HETATM 94 CD HYP A 15 -6.363 3.861 -5.492 1.00 88.34 C +HETATM 95 OD1 HYP A 15 -7.393 2.036 -4.375 1.00 86.56 O +ATOM 96 N GLY A 16 -3.494 4.443 -1.823 1.00 92.84 N +ATOM 97 CA GLY A 16 -2.208 4.985 -1.481 1.00 92.09 C +ATOM 98 C GLY A 16 -1.098 4.239 -2.192 1.00 92.93 C +ATOM 99 O GLY A 16 -1.339 3.226 -2.855 1.00 92.68 O +ATOM 100 N PRO A 17 0.115 4.744 -2.059 1.00 92.92 N +ATOM 101 CA PRO A 17 1.248 4.095 -2.697 1.00 92.36 C +ATOM 102 C PRO A 17 1.597 2.780 -2.020 1.00 93.12 C +ATOM 103 O PRO A 17 1.170 2.514 -0.898 1.00 91.73 O +ATOM 104 CB PRO A 17 2.367 5.113 -2.541 1.00 90.99 C +ATOM 105 CG PRO A 17 2.007 5.837 -1.295 1.00 89.83 C +ATOM 106 CD PRO A 17 0.509 5.925 -1.300 1.00 90.73 C +HETATM 107 N HYP A 18 2.353 1.971 -2.724 1.00 90.35 N +HETATM 108 CA HYP A 18 2.881 0.781 -2.128 1.00 90.87 C +HETATM 109 C HYP A 18 3.606 1.069 -0.846 1.00 90.55 C +HETATM 110 O HYP A 18 4.233 2.155 -0.719 1.00 91.61 O +HETATM 111 CB HYP A 18 3.775 0.213 -3.207 1.00 88.89 C +HETATM 112 CG HYP A 18 3.214 0.742 -4.512 1.00 87.77 C +HETATM 113 CD HYP A 18 2.736 2.123 -4.110 1.00 90.00 C +HETATM 114 OD1 HYP A 18 2.122 -0.055 -4.907 1.00 88.05 O +ATOM 115 N GLY A 19 3.529 0.177 0.074 1.00 92.32 N +ATOM 116 CA GLY A 19 4.252 0.316 1.302 1.00 91.86 C +ATOM 117 C GLY A 19 5.747 0.224 1.068 1.00 92.12 C +ATOM 118 O GLY A 19 6.202 -0.079 -0.034 1.00 91.86 O +ATOM 119 N PRO A 20 6.512 0.485 2.113 1.00 87.61 N +ATOM 120 CA PRO A 20 7.957 0.421 1.983 1.00 86.68 C +ATOM 121 C PRO A 20 8.434 -1.009 1.793 1.00 86.71 C +ATOM 122 O PRO A 20 7.732 -1.961 2.108 1.00 86.09 O +ATOM 123 CB PRO A 20 8.448 1.000 3.305 1.00 84.36 C +ATOM 124 CG PRO A 20 7.350 0.697 4.255 1.00 82.30 C +ATOM 125 CD PRO A 20 6.091 0.838 3.464 1.00 83.12 C +HETATM 126 N HYP A 21 9.627 -1.112 1.284 1.00 87.46 N +HETATM 127 CA HYP A 21 10.226 -2.419 1.152 1.00 84.19 C +HETATM 128 C HYP A 21 10.362 -3.134 2.498 1.00 85.19 C +HETATM 129 O HYP A 21 10.498 -2.451 3.528 1.00 92.37 O +HETATM 130 CB HYP A 21 11.608 -2.110 0.586 1.00 85.40 C +HETATM 131 CG HYP A 21 11.473 -0.792 -0.117 1.00 80.28 C +HETATM 132 CD HYP A 21 10.484 -0.052 0.738 1.00 88.38 C +HETATM 133 OD1 HYP A 21 10.873 -0.994 -1.398 1.00 87.58 O +ATOM 134 N GLY A 22 10.202 -4.392 2.485 1.00 88.44 N +ATOM 135 CA GLY A 22 10.394 -5.153 3.680 1.00 86.18 C +ATOM 136 C GLY A 22 11.851 -5.124 4.096 1.00 86.20 C +ATOM 137 O GLY A 22 12.687 -4.502 3.446 1.00 84.68 O +ATOM 138 N PRO A 23 12.182 -5.799 5.187 1.00 91.03 N +ATOM 139 CA PRO A 23 13.561 -5.819 5.645 1.00 91.08 C +ATOM 140 C PRO A 23 14.458 -6.499 4.636 1.00 90.04 C +ATOM 141 O PRO A 23 14.014 -7.303 3.826 1.00 86.88 O +ATOM 142 CB PRO A 23 13.491 -6.578 6.959 1.00 88.31 C +ATOM 143 CG PRO A 23 12.259 -7.388 6.853 1.00 85.67 C +ATOM 144 CD PRO A 23 11.307 -6.588 6.032 1.00 87.99 C +HETATM 145 N HYP A 24 15.675 -6.237 4.672 1.00 88.19 N +HETATM 146 CA HYP A 24 16.588 -6.819 3.681 1.00 80.51 C +HETATM 147 C HYP A 24 16.328 -8.206 3.378 1.00 83.66 C +HETATM 148 O HYP A 24 16.975 -9.104 3.903 1.00 80.48 O +HETATM 149 CB HYP A 24 17.954 -6.449 4.187 1.00 83.37 C +HETATM 150 CG HYP A 24 17.756 -5.339 5.190 1.00 82.26 C +HETATM 151 CD HYP A 24 16.370 -5.577 5.738 1.00 86.46 C +HETATM 152 OD1 HYP A 24 17.761 -4.077 4.527 1.00 85.17 O +HETATM 153 OXT HYP A 24 15.405 -8.365 2.558 1.00 82.26 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_368.txt b/protein_pdb_368.txt new file mode 100644 index 0000000000000000000000000000000000000000..48693fd8544618ecf5a42ee03ddac7b83473977d --- /dev/null +++ b/protein_pdb_368.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -3.936 -10.150 9.001 1.00 77.94 N +ATOM 2 CA GLY A 1 -4.216 -10.108 7.600 1.00 78.62 C +ATOM 3 C GLY A 1 -3.039 -9.670 6.753 1.00 79.53 C +ATOM 4 O GLY A 1 -1.993 -9.284 7.275 1.00 75.42 O +ATOM 5 N PRO A 2 -3.205 -9.725 5.463 1.00 81.51 N +ATOM 6 CA PRO A 2 -2.149 -9.371 4.534 1.00 82.36 C +ATOM 7 C PRO A 2 -1.992 -7.861 4.404 1.00 82.42 C +ATOM 8 O PRO A 2 -2.782 -7.087 4.939 1.00 79.61 O +ATOM 9 CB PRO A 2 -2.632 -9.992 3.228 1.00 79.12 C +ATOM 10 CG PRO A 2 -4.116 -9.925 3.340 1.00 77.38 C +ATOM 11 CD PRO A 2 -4.412 -10.171 4.792 1.00 77.45 C +HETATM 12 N HYP A 3 -0.967 -7.477 3.655 1.00 83.35 N +HETATM 13 CA HYP A 3 -0.762 -6.042 3.419 1.00 82.76 C +HETATM 14 C HYP A 3 -1.933 -5.386 2.785 1.00 84.59 C +HETATM 15 O HYP A 3 -2.701 -6.039 2.035 1.00 83.93 O +HETATM 16 CB HYP A 3 0.464 -6.084 2.459 1.00 80.40 C +HETATM 17 CG HYP A 3 1.184 -7.380 2.801 1.00 75.80 C +HETATM 18 CD HYP A 3 0.034 -8.339 3.084 1.00 79.42 C +HETATM 19 OD1 HYP A 3 1.941 -7.210 3.950 1.00 79.71 O +ATOM 20 N GLY A 4 -2.136 -4.153 3.104 1.00 83.62 N +ATOM 21 CA GLY A 4 -3.218 -3.396 2.539 1.00 82.39 C +ATOM 22 C GLY A 4 -3.006 -3.141 1.058 1.00 82.41 C +ATOM 23 O GLY A 4 -1.972 -3.491 0.489 1.00 79.36 O +ATOM 24 N PRO A 5 -3.998 -2.531 0.421 1.00 83.90 N +ATOM 25 CA PRO A 5 -3.896 -2.251 -1.004 1.00 82.49 C +ATOM 26 C PRO A 5 -2.881 -1.160 -1.290 1.00 82.30 C +ATOM 27 O PRO A 5 -2.478 -0.414 -0.400 1.00 79.44 O +ATOM 28 CB PRO A 5 -5.308 -1.804 -1.371 1.00 79.46 C +ATOM 29 CG PRO A 5 -5.827 -1.212 -0.117 1.00 78.72 C +ATOM 30 CD PRO A 5 -5.237 -2.042 0.995 1.00 79.81 C +HETATM 31 N HYP A 6 -2.488 -1.090 -2.494 1.00 83.65 N +HETATM 32 CA HYP A 6 -1.574 -0.041 -2.946 1.00 86.08 C +HETATM 33 C HYP A 6 -2.084 1.317 -2.645 1.00 83.48 C +HETATM 34 O HYP A 6 -3.327 1.559 -2.674 1.00 84.86 O +HETATM 35 CB HYP A 6 -1.600 -0.312 -4.449 1.00 79.83 C +HETATM 36 CG HYP A 6 -1.929 -1.758 -4.586 1.00 78.91 C +HETATM 37 CD HYP A 6 -2.919 -1.957 -3.530 1.00 81.81 C +HETATM 38 OD1 HYP A 6 -0.808 -2.562 -4.348 1.00 77.73 O +ATOM 39 N GLY A 7 -1.205 2.171 -2.264 1.00 83.34 N +ATOM 40 CA GLY A 7 -1.567 3.534 -1.975 1.00 81.37 C +ATOM 41 C GLY A 7 -2.035 4.255 -3.224 1.00 82.11 C +ATOM 42 O GLY A 7 -1.976 3.722 -4.333 1.00 79.91 O +ATOM 43 N PRO A 8 -2.494 5.469 -3.053 1.00 81.91 N +ATOM 44 CA PRO A 8 -2.962 6.239 -4.191 1.00 80.99 C +ATOM 45 C PRO A 8 -1.808 6.639 -5.092 1.00 80.61 C +ATOM 46 O PRO A 8 -0.656 6.700 -4.664 1.00 77.38 O +ATOM 47 CB PRO A 8 -3.622 7.456 -3.554 1.00 78.51 C +ATOM 48 CG PRO A 8 -2.909 7.618 -2.263 1.00 79.76 C +ATOM 49 CD PRO A 8 -2.591 6.220 -1.807 1.00 80.69 C +HETATM 50 N HYP A 9 -2.126 6.936 -6.295 1.00 78.38 N +HETATM 51 CA HYP A 9 -1.169 7.394 -7.213 1.00 79.67 C +HETATM 52 C HYP A 9 -0.546 8.696 -6.748 1.00 76.99 C +HETATM 53 O HYP A 9 -1.205 9.479 -6.077 1.00 77.80 O +HETATM 54 CB HYP A 9 -2.066 7.688 -8.426 1.00 76.33 C +HETATM 55 CG HYP A 9 -3.250 6.824 -8.283 1.00 75.58 C +HETATM 56 CD HYP A 9 -3.464 6.795 -6.849 1.00 78.00 C +HETATM 57 OD1 HYP A 9 -3.004 5.508 -8.721 1.00 73.70 O +ATOM 58 N GLY A 10 0.695 8.881 -7.064 1.00 80.96 N +ATOM 59 CA GLY A 10 1.368 10.108 -6.698 1.00 78.76 C +ATOM 60 C GLY A 10 0.927 11.296 -7.519 1.00 79.69 C +ATOM 61 O GLY A 10 1.585 12.332 -7.485 1.00 75.57 O +ATOM 62 N GLY A 11 -0.154 11.155 -8.247 1.00 71.48 N +ATOM 63 CA GLY A 11 -0.578 12.156 -9.215 1.00 72.43 C +ATOM 64 C GLY A 11 -0.118 11.704 -10.577 1.00 73.07 C +ATOM 65 O GLY A 11 -0.916 11.293 -11.417 1.00 69.70 O +ATOM 66 N ILE A 12 1.175 11.757 -10.773 1.00 74.83 N +ATOM 67 CA ILE A 12 1.840 11.206 -11.943 1.00 76.82 C +ATOM 68 C ILE A 12 2.968 10.341 -11.426 1.00 74.39 C +ATOM 69 O ILE A 12 3.957 10.851 -10.897 1.00 69.80 O +ATOM 70 CB ILE A 12 2.386 12.299 -12.865 1.00 74.73 C +ATOM 71 CG1 ILE A 12 1.253 13.209 -13.349 1.00 70.64 C +ATOM 72 CG2 ILE A 12 3.114 11.671 -14.048 1.00 69.87 C +ATOM 73 CD1 ILE A 12 1.745 14.420 -14.118 1.00 65.65 C +ATOM 74 N GLY A 13 2.811 9.035 -11.539 1.00 77.84 N +ATOM 75 CA GLY A 13 3.823 8.137 -11.030 1.00 76.26 C +ATOM 76 C GLY A 13 3.217 6.818 -10.610 1.00 77.43 C +ATOM 77 O GLY A 13 2.014 6.609 -10.750 1.00 74.95 O +ATOM 78 N PRO A 14 4.047 5.918 -10.128 1.00 77.93 N +ATOM 79 CA PRO A 14 3.573 4.596 -9.742 1.00 77.37 C +ATOM 80 C PRO A 14 2.667 4.662 -8.521 1.00 77.60 C +ATOM 81 O PRO A 14 2.654 5.646 -7.785 1.00 74.28 O +ATOM 82 CB PRO A 14 4.858 3.822 -9.442 1.00 74.19 C +ATOM 83 CG PRO A 14 5.837 4.870 -9.066 1.00 74.05 C +ATOM 84 CD PRO A 14 5.481 6.072 -9.894 1.00 72.95 C +HETATM 85 N HYP A 15 1.938 3.622 -8.327 1.00 80.79 N +HETATM 86 CA HYP A 15 1.095 3.510 -7.159 1.00 82.45 C +HETATM 87 C HYP A 15 1.878 3.635 -5.905 1.00 83.49 C +HETATM 88 O HYP A 15 3.082 3.340 -5.880 1.00 82.23 O +HETATM 89 CB HYP A 15 0.500 2.112 -7.377 1.00 80.31 C +HETATM 90 CG HYP A 15 0.535 1.941 -8.869 1.00 75.46 C +HETATM 91 CD HYP A 15 1.833 2.559 -9.258 1.00 79.32 C +HETATM 92 OD1 HYP A 15 -0.542 2.567 -9.483 1.00 80.14 O +ATOM 93 N GLY A 16 1.239 4.062 -4.882 1.00 84.63 N +ATOM 94 CA GLY A 16 1.882 4.153 -3.602 1.00 83.68 C +ATOM 95 C GLY A 16 2.220 2.781 -3.050 1.00 84.20 C +ATOM 96 O GLY A 16 1.857 1.756 -3.626 1.00 82.01 O +ATOM 97 N PRO A 17 2.927 2.763 -1.936 1.00 85.64 N +ATOM 98 CA PRO A 17 3.315 1.495 -1.337 1.00 84.67 C +ATOM 99 C PRO A 17 2.119 0.764 -0.743 1.00 85.32 C +ATOM 100 O PRO A 17 1.066 1.347 -0.529 1.00 83.27 O +ATOM 101 CB PRO A 17 4.311 1.903 -0.254 1.00 82.02 C +ATOM 102 CG PRO A 17 3.888 3.282 0.115 1.00 81.99 C +ATOM 103 CD PRO A 17 3.397 3.901 -1.163 1.00 82.45 C +HETATM 104 N HYP A 18 2.286 -0.467 -0.497 1.00 83.85 N +HETATM 105 CA HYP A 18 1.275 -1.261 0.146 1.00 87.59 C +HETATM 106 C HYP A 18 0.883 -0.710 1.458 1.00 87.18 C +HETATM 107 O HYP A 18 1.702 -0.105 2.187 1.00 86.91 O +HETATM 108 CB HYP A 18 2.000 -2.569 0.278 1.00 83.99 C +HETATM 109 CG HYP A 18 3.021 -2.576 -0.807 1.00 80.43 C +HETATM 110 CD HYP A 18 3.472 -1.197 -0.833 1.00 83.36 C +HETATM 111 OD1 HYP A 18 2.457 -2.924 -2.062 1.00 80.98 O +ATOM 112 N GLY A 19 -0.362 -0.851 1.782 1.00 85.82 N +ATOM 113 CA GLY A 19 -0.856 -0.422 3.063 1.00 85.45 C +ATOM 114 C GLY A 19 -0.304 -1.287 4.180 1.00 86.62 C +ATOM 115 O GLY A 19 0.413 -2.256 3.947 1.00 85.48 O +ATOM 116 N PRO A 20 -0.635 -0.930 5.394 1.00 84.72 N +ATOM 117 CA PRO A 20 -0.156 -1.697 6.534 1.00 84.06 C +ATOM 118 C PRO A 20 -0.836 -3.050 6.616 1.00 84.41 C +ATOM 119 O PRO A 20 -1.879 -3.272 6.012 1.00 81.99 O +ATOM 120 CB PRO A 20 -0.512 -0.817 7.722 1.00 81.64 C +ATOM 121 CG PRO A 20 -1.706 -0.061 7.253 1.00 81.31 C +ATOM 122 CD PRO A 20 -1.475 0.182 5.786 1.00 81.98 C +HETATM 123 N HYP A 21 -0.255 -3.911 7.354 1.00 84.15 N +HETATM 124 CA HYP A 21 -0.825 -5.218 7.580 1.00 86.26 C +HETATM 125 C HYP A 21 -2.206 -5.141 8.202 1.00 85.19 C +HETATM 126 O HYP A 21 -2.456 -4.246 9.019 1.00 85.47 O +HETATM 127 CB HYP A 21 0.168 -5.774 8.624 1.00 82.19 C +HETATM 128 CG HYP A 21 1.455 -5.058 8.368 1.00 80.59 C +HETATM 129 CD HYP A 21 1.019 -3.699 8.019 1.00 83.91 C +HETATM 130 OD1 HYP A 21 2.132 -5.607 7.253 1.00 79.67 O +ATOM 131 N GLY A 22 -3.108 -5.972 7.731 1.00 84.02 N +ATOM 132 CA GLY A 22 -4.428 -6.005 8.288 1.00 82.59 C +ATOM 133 C GLY A 22 -4.404 -6.569 9.699 1.00 83.12 C +ATOM 134 O GLY A 22 -3.378 -7.053 10.174 1.00 80.51 O +ATOM 135 N PRO A 23 -5.536 -6.529 10.371 1.00 83.90 N +ATOM 136 CA PRO A 23 -5.608 -7.091 11.708 1.00 83.76 C +ATOM 137 C PRO A 23 -5.619 -8.611 11.636 1.00 83.24 C +ATOM 138 O PRO A 23 -6.534 -9.193 11.052 1.00 79.41 O +ATOM 139 CB PRO A 23 -6.915 -6.532 12.261 1.00 79.59 C +ATOM 140 CG PRO A 23 -7.744 -6.284 11.059 1.00 78.36 C +ATOM 141 CD PRO A 23 -6.785 -5.924 9.955 1.00 79.13 C +HETATM 142 N HYP A 24 -4.664 -9.287 12.008 1.00 82.58 N +HETATM 143 CA HYP A 24 -4.394 -10.660 11.560 1.00 73.63 C +HETATM 144 C HYP A 24 -4.629 -11.076 10.349 1.00 73.85 C +HETATM 145 O HYP A 24 -5.844 -11.269 9.958 1.00 75.98 O +HETATM 146 CB HYP A 24 -3.863 -11.388 12.763 1.00 74.08 C +HETATM 147 CG HYP A 24 -3.746 -10.297 13.852 1.00 78.80 C +HETATM 148 CD HYP A 24 -4.565 -9.107 13.354 1.00 82.14 C +HETATM 149 OD1 HYP A 24 -2.421 -9.867 13.989 1.00 78.49 O +HETATM 150 OXT HYP A 24 -3.869 -12.073 9.808 1.00 74.94 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_369.txt b/protein_pdb_369.txt new file mode 100644 index 0000000000000000000000000000000000000000..3dcd176c815d8b9e6956ed5f0a2780083844c44f --- /dev/null +++ b/protein_pdb_369.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 13.437 7.375 3.273 1.00 90.64 N +ATOM 2 CA GLY A 1 12.795 6.316 3.968 1.00 91.34 C +ATOM 3 C GLY A 1 12.314 5.211 3.054 1.00 91.82 C +ATOM 4 O GLY A 1 12.345 5.339 1.834 1.00 89.82 O +ATOM 5 N PRO A 2 11.860 4.156 3.629 1.00 91.03 N +ATOM 6 CA PRO A 2 11.384 3.028 2.847 1.00 91.49 C +ATOM 7 C PRO A 2 10.025 3.309 2.230 1.00 91.31 C +ATOM 8 O PRO A 2 9.344 4.260 2.600 1.00 89.50 O +ATOM 9 CB PRO A 2 11.299 1.915 3.880 1.00 88.23 C +ATOM 10 CG PRO A 2 11.017 2.634 5.146 1.00 85.24 C +ATOM 11 CD PRO A 2 11.789 3.918 5.055 1.00 88.03 C +HETATM 12 N HYP A 3 9.672 2.447 1.284 1.00 90.95 N +HETATM 13 CA HYP A 3 8.350 2.588 0.677 1.00 89.85 C +HETATM 14 C HYP A 3 7.256 2.470 1.705 1.00 91.09 C +HETATM 15 O HYP A 3 7.416 1.748 2.715 1.00 93.28 O +HETATM 16 CB HYP A 3 8.283 1.338 -0.283 1.00 87.29 C +HETATM 17 CG HYP A 3 9.719 1.047 -0.611 1.00 85.77 C +HETATM 18 CD HYP A 3 10.455 1.373 0.717 1.00 90.25 C +HETATM 19 OD1 HYP A 3 10.123 1.951 -1.594 1.00 88.97 O +ATOM 20 N GLY A 4 6.213 3.219 1.496 1.00 92.50 N +ATOM 21 CA GLY A 4 5.079 3.152 2.369 1.00 91.58 C +ATOM 22 C GLY A 4 4.373 1.817 2.258 1.00 92.01 C +ATOM 23 O GLY A 4 4.672 1.005 1.375 1.00 91.85 O +ATOM 24 N PRO A 5 3.416 1.566 3.146 1.00 92.40 N +ATOM 25 CA PRO A 5 2.684 0.310 3.113 1.00 92.26 C +ATOM 26 C PRO A 5 1.747 0.245 1.922 1.00 92.04 C +ATOM 27 O PRO A 5 1.420 1.262 1.317 1.00 90.81 O +ATOM 28 CB PRO A 5 1.911 0.320 4.425 1.00 90.36 C +ATOM 29 CG PRO A 5 1.710 1.766 4.700 1.00 89.08 C +ATOM 30 CD PRO A 5 2.952 2.446 4.211 1.00 91.74 C +HETATM 31 N HYP A 6 1.348 -0.970 1.577 1.00 92.76 N +HETATM 32 CA HYP A 6 0.340 -1.152 0.544 1.00 93.76 C +HETATM 33 C HYP A 6 -0.930 -0.422 0.879 1.00 93.29 C +HETATM 34 O HYP A 6 -1.279 -0.256 2.066 1.00 93.62 O +HETATM 35 CB HYP A 6 0.108 -2.689 0.574 1.00 88.76 C +HETATM 36 CG HYP A 6 1.409 -3.247 1.060 1.00 88.23 C +HETATM 37 CD HYP A 6 1.830 -2.228 2.119 1.00 91.27 C +HETATM 38 OD1 HYP A 6 2.336 -3.254 0.011 1.00 89.73 O +ATOM 39 N GLY A 7 -1.560 0.083 -0.134 1.00 93.00 N +ATOM 40 CA GLY A 7 -2.811 0.762 0.041 1.00 92.46 C +ATOM 41 C GLY A 7 -3.893 -0.183 0.517 1.00 92.82 C +ATOM 42 O GLY A 7 -3.718 -1.395 0.543 1.00 92.52 O +ATOM 43 N PRO A 8 -5.029 0.379 0.908 1.00 93.00 N +ATOM 44 CA PRO A 8 -6.128 -0.455 1.382 1.00 92.96 C +ATOM 45 C PRO A 8 -6.666 -1.352 0.284 1.00 93.13 C +ATOM 46 O PRO A 8 -6.587 -1.030 -0.895 1.00 91.14 O +ATOM 47 CB PRO A 8 -7.191 0.550 1.816 1.00 90.71 C +ATOM 48 CG PRO A 8 -6.488 1.837 1.926 1.00 89.81 C +ATOM 49 CD PRO A 8 -5.348 1.794 0.966 1.00 91.91 C +HETATM 50 N HYP A 9 -7.249 -2.480 0.673 1.00 92.15 N +HETATM 51 CA HYP A 9 -7.882 -3.351 -0.253 1.00 91.39 C +HETATM 52 C HYP A 9 -9.081 -2.714 -0.876 1.00 92.35 C +HETATM 53 O HYP A 9 -9.781 -1.914 -0.225 1.00 92.16 O +HETATM 54 CB HYP A 9 -8.352 -4.555 0.619 1.00 87.13 C +HETATM 55 CG HYP A 9 -7.484 -4.520 1.818 1.00 86.25 C +HETATM 56 CD HYP A 9 -7.218 -3.082 2.051 1.00 91.38 C +HETATM 57 OD1 HYP A 9 -6.265 -5.171 1.508 1.00 87.36 O +ATOM 58 N GLY A 10 -9.370 -2.933 -2.120 1.00 90.80 N +ATOM 59 CA GLY A 10 -10.640 -2.569 -2.699 1.00 89.33 C +ATOM 60 C GLY A 10 -11.724 -3.504 -2.191 1.00 89.85 C +ATOM 61 O GLY A 10 -11.476 -4.390 -1.369 1.00 87.82 O +ATOM 62 N LEU A 11 -12.933 -3.310 -2.697 1.00 89.19 N +ATOM 63 CA LEU A 11 -14.027 -4.171 -2.263 1.00 90.48 C +ATOM 64 C LEU A 11 -13.691 -5.638 -2.507 1.00 90.41 C +ATOM 65 O LEU A 11 -13.903 -6.487 -1.635 1.00 87.82 O +ATOM 66 CB LEU A 11 -15.309 -3.787 -3.001 1.00 89.16 C +ATOM 67 CG LEU A 11 -16.541 -4.603 -2.647 1.00 84.54 C +ATOM 68 CD1 LEU A 11 -16.883 -4.509 -1.180 1.00 82.65 C +ATOM 69 CD2 LEU A 11 -17.728 -4.156 -3.499 1.00 78.63 C +ATOM 70 N HIS A 12 -13.164 -5.920 -3.691 1.00 92.39 N +ATOM 71 CA HIS A 12 -12.714 -7.270 -4.038 1.00 93.39 C +ATOM 72 C HIS A 12 -11.296 -7.276 -4.570 1.00 93.12 C +ATOM 73 O HIS A 12 -10.775 -8.341 -4.907 1.00 90.14 O +ATOM 74 CB HIS A 12 -13.644 -7.883 -5.093 1.00 91.95 C +ATOM 75 CG HIS A 12 -15.072 -7.980 -4.654 1.00 88.93 C +ATOM 76 ND1 HIS A 12 -16.100 -7.358 -5.314 1.00 83.69 N +ATOM 77 CD2 HIS A 12 -15.623 -8.634 -3.618 1.00 79.81 C +ATOM 78 CE1 HIS A 12 -17.230 -7.633 -4.683 1.00 82.01 C +ATOM 79 NE2 HIS A 12 -16.978 -8.403 -3.657 1.00 83.83 N +ATOM 80 N GLY A 13 -10.692 -6.129 -4.677 1.00 93.60 N +ATOM 81 CA GLY A 13 -9.400 -6.011 -5.306 1.00 93.04 C +ATOM 82 C GLY A 13 -8.239 -6.196 -4.354 1.00 93.74 C +ATOM 83 O GLY A 13 -8.414 -6.281 -3.136 1.00 93.16 O +ATOM 84 N PRO A 14 -7.053 -6.269 -4.911 1.00 94.32 N +ATOM 85 CA PRO A 14 -5.853 -6.424 -4.109 1.00 94.15 C +ATOM 86 C PRO A 14 -5.513 -5.136 -3.386 1.00 94.42 C +ATOM 87 O PRO A 14 -6.059 -4.077 -3.675 1.00 93.18 O +ATOM 88 CB PRO A 14 -4.787 -6.780 -5.141 1.00 92.53 C +ATOM 89 CG PRO A 14 -5.238 -6.063 -6.369 1.00 91.34 C +ATOM 90 CD PRO A 14 -6.739 -6.144 -6.338 1.00 92.83 C +HETATM 91 N HYP A 15 -4.595 -5.279 -2.495 1.00 92.25 N +HETATM 92 CA HYP A 15 -4.080 -4.103 -1.839 1.00 92.85 C +HETATM 93 C HYP A 15 -3.485 -3.162 -2.845 1.00 93.97 C +HETATM 94 O HYP A 15 -2.984 -3.617 -3.902 1.00 93.52 O +HETATM 95 CB HYP A 15 -3.011 -4.724 -0.920 1.00 89.71 C +HETATM 96 CG HYP A 15 -3.467 -6.150 -0.664 1.00 88.94 C +HETATM 97 CD HYP A 15 -4.051 -6.549 -1.984 1.00 91.89 C +HETATM 98 OD1 HYP A 15 -4.470 -6.178 0.324 1.00 90.30 O +ATOM 99 N GLY A 16 -3.556 -1.902 -2.574 1.00 94.22 N +ATOM 100 CA GLY A 16 -2.929 -0.928 -3.421 1.00 93.95 C +ATOM 101 C GLY A 16 -1.424 -1.089 -3.414 1.00 94.24 C +ATOM 102 O GLY A 16 -0.869 -1.842 -2.609 1.00 93.63 O +ATOM 103 N PRO A 17 -0.765 -0.385 -4.319 1.00 92.63 N +ATOM 104 CA PRO A 17 0.689 -0.473 -4.376 1.00 92.68 C +ATOM 105 C PRO A 17 1.329 0.167 -3.158 1.00 93.13 C +ATOM 106 O PRO A 17 0.713 0.962 -2.458 1.00 91.77 O +ATOM 107 CB PRO A 17 1.035 0.289 -5.652 1.00 90.97 C +ATOM 108 CG PRO A 17 -0.080 1.252 -5.803 1.00 89.48 C +ATOM 109 CD PRO A 17 -1.301 0.546 -5.298 1.00 91.37 C +HETATM 110 N HYP A 18 2.573 -0.207 -2.924 1.00 89.98 N +HETATM 111 CA HYP A 18 3.314 0.412 -1.882 1.00 89.39 C +HETATM 112 C HYP A 18 3.406 1.903 -2.085 1.00 90.59 C +HETATM 113 O HYP A 18 3.425 2.377 -3.228 1.00 91.43 O +HETATM 114 CB HYP A 18 4.702 -0.249 -2.019 1.00 86.63 C +HETATM 115 CG HYP A 18 4.418 -1.596 -2.636 1.00 86.37 C +HETATM 116 CD HYP A 18 3.297 -1.276 -3.604 1.00 90.58 C +HETATM 117 OD1 HYP A 18 3.952 -2.491 -1.644 1.00 88.21 O +ATOM 118 N GLY A 19 3.388 2.629 -1.011 1.00 87.43 N +ATOM 119 CA GLY A 19 3.537 4.055 -1.083 1.00 86.89 C +ATOM 120 C GLY A 19 4.920 4.440 -1.560 1.00 86.80 C +ATOM 121 O GLY A 19 5.815 3.603 -1.655 1.00 87.66 O +ATOM 122 N PRO A 20 5.102 5.713 -1.862 1.00 85.52 N +ATOM 123 CA PRO A 20 6.403 6.171 -2.311 1.00 85.69 C +ATOM 124 C PRO A 20 7.413 6.144 -1.179 1.00 85.40 C +ATOM 125 O PRO A 20 7.050 6.089 -0.005 1.00 85.06 O +ATOM 126 CB PRO A 20 6.127 7.597 -2.772 1.00 83.28 C +ATOM 127 CG PRO A 20 4.981 8.017 -1.930 1.00 82.25 C +ATOM 128 CD PRO A 20 4.135 6.794 -1.752 1.00 85.35 C +HETATM 129 N HYP A 21 8.681 6.156 -1.570 1.00 88.55 N +HETATM 130 CA HYP A 21 9.703 6.246 -0.579 1.00 88.99 C +HETATM 131 C HYP A 21 9.569 7.463 0.299 1.00 88.78 C +HETATM 132 O HYP A 21 9.122 8.502 -0.184 1.00 91.10 O +HETATM 133 CB HYP A 21 11.000 6.270 -1.373 1.00 86.17 C +HETATM 134 CG HYP A 21 10.666 5.559 -2.650 1.00 83.89 C +HETATM 135 CD HYP A 21 9.242 5.982 -2.924 1.00 89.23 C +HETATM 136 OD1 HYP A 21 10.700 4.156 -2.413 1.00 84.96 O +ATOM 137 N GLY A 22 9.844 7.329 1.548 1.00 88.34 N +ATOM 138 CA GLY A 22 9.823 8.449 2.440 1.00 86.36 C +ATOM 139 C GLY A 22 10.948 9.412 2.110 1.00 86.30 C +ATOM 140 O GLY A 22 11.811 9.118 1.283 1.00 86.71 O +ATOM 141 N PRO A 23 10.977 10.576 2.756 1.00 90.54 N +ATOM 142 CA PRO A 23 12.049 11.531 2.508 1.00 90.47 C +ATOM 143 C PRO A 23 13.346 10.997 3.086 1.00 89.50 C +ATOM 144 O PRO A 23 13.513 10.935 4.300 1.00 85.95 O +ATOM 145 CB PRO A 23 11.574 12.785 3.224 1.00 87.04 C +ATOM 146 CG PRO A 23 10.678 12.284 4.290 1.00 84.63 C +ATOM 147 CD PRO A 23 10.031 11.043 3.747 1.00 88.16 C +HETATM 148 N HYP A 24 14.163 10.432 2.351 1.00 94.45 N +HETATM 149 CA HYP A 24 15.208 9.346 2.633 1.00 89.74 C +HETATM 150 C HYP A 24 14.869 8.148 3.177 1.00 93.87 C +HETATM 151 O HYP A 24 15.345 7.858 4.393 1.00 92.77 O +HETATM 152 CB HYP A 24 16.398 9.733 1.897 1.00 88.72 C +HETATM 153 CG HYP A 24 16.246 11.275 1.712 1.00 88.18 C +HETATM 154 CD HYP A 24 14.743 11.591 1.937 1.00 92.23 C +HETATM 155 OD1 HYP A 24 16.621 11.660 0.418 1.00 88.87 O +HETATM 156 OXT HYP A 24 15.085 7.013 2.363 1.00 88.26 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_37.txt b/protein_pdb_37.txt new file mode 100644 index 0000000000000000000000000000000000000000..3b58f9e8eb8717042c14b7984ef0340d7e52eba0 --- /dev/null +++ b/protein_pdb_37.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 30.970 -11.816 12.502 1.00 90.10 N +ATOM 2 CA GLY A 1 30.006 -12.547 11.682 1.00 91.22 C +ATOM 3 C GLY A 1 29.525 -11.701 10.520 1.00 92.04 C +ATOM 4 O GLY A 1 29.848 -10.516 10.427 1.00 89.58 O +ATOM 5 N PRO A 2 28.750 -12.276 9.625 1.00 91.62 N +ATOM 6 CA PRO A 2 28.231 -11.526 8.484 1.00 92.98 C +ATOM 7 C PRO A 2 27.194 -10.504 8.920 1.00 93.20 C +ATOM 8 O PRO A 2 26.607 -10.612 9.994 1.00 91.11 O +ATOM 9 CB PRO A 2 27.604 -12.606 7.591 1.00 90.39 C +ATOM 10 CG PRO A 2 27.207 -13.671 8.556 1.00 87.30 C +ATOM 11 CD PRO A 2 28.272 -13.657 9.625 1.00 88.98 C +HETATM 12 N HYP A 3 27.009 -9.508 8.110 1.00 94.47 N +HETATM 13 CA HYP A 3 25.946 -8.522 8.337 1.00 94.36 C +HETATM 14 C HYP A 3 24.607 -9.211 8.490 1.00 94.68 C +HETATM 15 O HYP A 3 24.344 -10.235 7.844 1.00 91.69 O +HETATM 16 CB HYP A 3 25.977 -7.679 7.065 1.00 93.03 C +HETATM 17 CG HYP A 3 27.377 -7.822 6.525 1.00 92.34 C +HETATM 18 CD HYP A 3 27.734 -9.283 6.859 1.00 93.91 C +HETATM 19 OD1 HYP A 3 28.259 -6.972 7.183 1.00 92.48 O +ATOM 20 N GLY A 4 23.773 -8.635 9.341 1.00 95.02 N +ATOM 21 CA GLY A 4 22.440 -9.165 9.507 1.00 94.17 C +ATOM 22 C GLY A 4 21.617 -8.970 8.246 1.00 94.24 C +ATOM 23 O GLY A 4 22.014 -8.239 7.333 1.00 93.47 O +ATOM 24 N PRO A 5 20.466 -9.615 8.182 1.00 94.74 N +ATOM 25 CA PRO A 5 19.612 -9.477 7.001 1.00 94.49 C +ATOM 26 C PRO A 5 18.971 -8.097 6.942 1.00 94.50 C +ATOM 27 O PRO A 5 18.886 -7.396 7.942 1.00 93.68 O +ATOM 28 CB PRO A 5 18.569 -10.575 7.187 1.00 92.92 C +ATOM 29 CG PRO A 5 18.475 -10.716 8.671 1.00 91.05 C +ATOM 30 CD PRO A 5 19.876 -10.492 9.183 1.00 92.51 C +HETATM 31 N HYP A 6 18.538 -7.699 5.770 1.00 95.28 N +HETATM 32 CA HYP A 6 17.747 -6.476 5.630 1.00 95.16 C +HETATM 33 C HYP A 6 16.520 -6.492 6.472 1.00 93.75 C +HETATM 34 O HYP A 6 15.945 -7.568 6.729 1.00 93.63 O +HETATM 35 CB HYP A 6 17.402 -6.439 4.130 1.00 93.30 C +HETATM 36 CG HYP A 6 18.506 -7.234 3.477 1.00 91.58 C +HETATM 37 CD HYP A 6 18.787 -8.315 4.507 1.00 94.15 C +HETATM 38 OD1 HYP A 6 19.638 -6.430 3.288 1.00 91.80 O +ATOM 39 N GLY A 7 16.102 -5.341 6.928 1.00 95.52 N +ATOM 40 CA GLY A 7 14.893 -5.246 7.711 1.00 94.86 C +ATOM 41 C GLY A 7 13.681 -5.652 6.900 1.00 95.13 C +ATOM 42 O GLY A 7 13.750 -5.822 5.683 1.00 94.61 O +ATOM 43 N PRO A 8 12.547 -5.808 7.576 1.00 95.04 N +ATOM 44 CA PRO A 8 11.326 -6.189 6.873 1.00 94.87 C +ATOM 45 C PRO A 8 10.807 -5.053 6.000 1.00 94.83 C +ATOM 46 O PRO A 8 11.131 -3.895 6.214 1.00 93.87 O +ATOM 47 CB PRO A 8 10.352 -6.512 8.005 1.00 93.78 C +ATOM 48 CG PRO A 8 10.830 -5.663 9.131 1.00 93.04 C +ATOM 49 CD PRO A 8 12.330 -5.633 9.008 1.00 94.27 C +HETATM 50 N HYP A 9 10.005 -5.350 5.027 1.00 95.17 N +HETATM 51 CA HYP A 9 9.335 -4.367 4.205 1.00 94.69 C +HETATM 52 C HYP A 9 8.449 -3.481 5.007 1.00 95.65 C +HETATM 53 O HYP A 9 7.903 -3.903 6.022 1.00 94.36 O +HETATM 54 CB HYP A 9 8.496 -5.243 3.242 1.00 93.41 C +HETATM 55 CG HYP A 9 9.310 -6.489 3.129 1.00 91.67 C +HETATM 56 CD HYP A 9 9.822 -6.649 4.523 1.00 94.22 C +HETATM 57 OD1 HYP A 9 10.396 -6.294 2.247 1.00 90.58 O +ATOM 58 N GLY A 10 8.355 -2.232 4.592 1.00 95.87 N +ATOM 59 CA GLY A 10 7.501 -1.293 5.276 1.00 94.90 C +ATOM 60 C GLY A 10 6.054 -1.709 5.229 1.00 95.20 C +ATOM 61 O GLY A 10 5.657 -2.608 4.474 1.00 94.48 O +ATOM 62 N ALA A 11 5.256 -1.046 6.041 1.00 95.02 N +ATOM 63 CA ALA A 11 3.828 -1.319 6.087 1.00 94.77 C +ATOM 64 C ALA A 11 3.176 -0.971 4.757 1.00 94.89 C +ATOM 65 O ALA A 11 3.637 -0.100 4.029 1.00 93.32 O +ATOM 66 CB ALA A 11 3.185 -0.515 7.201 1.00 93.12 C +HETATM 67 N HYP A 12 2.095 -1.626 4.396 1.00 95.38 N +HETATM 68 CA HYP A 12 1.307 -1.291 3.238 1.00 95.55 C +HETATM 69 C HYP A 12 0.839 0.116 3.259 1.00 95.85 C +HETATM 70 O HYP A 12 0.603 0.680 4.333 1.00 93.89 O +HETATM 71 CB HYP A 12 0.160 -2.270 3.246 1.00 93.84 C +HETATM 72 CG HYP A 12 0.685 -3.423 4.008 1.00 92.30 C +HETATM 73 CD HYP A 12 1.556 -2.783 5.002 1.00 94.45 C +HETATM 74 OD1 HYP A 12 1.467 -4.261 3.191 1.00 91.35 O +ATOM 75 N GLY A 13 0.719 0.707 2.095 1.00 95.63 N +ATOM 76 CA GLY A 13 0.206 2.050 1.984 1.00 94.86 C +ATOM 77 C GLY A 13 -1.261 2.115 2.385 1.00 95.33 C +ATOM 78 O GLY A 13 -1.903 1.085 2.628 1.00 94.87 O +ATOM 79 N PRO A 14 -1.811 3.325 2.447 1.00 94.82 N +ATOM 80 CA PRO A 14 -3.215 3.475 2.807 1.00 94.55 C +ATOM 81 C PRO A 14 -4.128 2.963 1.702 1.00 94.54 C +ATOM 82 O PRO A 14 -3.719 2.838 0.554 1.00 93.21 O +ATOM 83 CB PRO A 14 -3.370 4.983 3.004 1.00 93.51 C +ATOM 84 CG PRO A 14 -2.321 5.566 2.122 1.00 92.71 C +ATOM 85 CD PRO A 14 -1.164 4.609 2.176 1.00 93.89 C +HETATM 86 N HYP A 15 -5.376 2.676 2.021 1.00 93.57 N +HETATM 87 CA HYP A 15 -6.358 2.287 1.034 1.00 93.58 C +HETATM 88 C HYP A 15 -6.527 3.318 -0.040 1.00 94.57 C +HETATM 89 O HYP A 15 -6.393 4.538 0.224 1.00 90.60 O +HETATM 90 CB HYP A 15 -7.640 2.158 1.838 1.00 92.71 C +HETATM 91 CG HYP A 15 -7.162 1.886 3.228 1.00 92.37 C +HETATM 92 CD HYP A 15 -5.900 2.687 3.330 1.00 94.24 C +HETATM 93 OD1 HYP A 15 -6.828 0.530 3.407 1.00 91.63 O +ATOM 94 N GLY A 16 -6.797 2.888 -1.239 1.00 93.01 N +ATOM 95 CA GLY A 16 -7.084 3.807 -2.314 1.00 91.16 C +ATOM 96 C GLY A 16 -8.383 4.549 -2.055 1.00 91.92 C +ATOM 97 O GLY A 16 -9.155 4.206 -1.154 1.00 91.84 O +ATOM 98 N PRO A 17 -8.647 5.572 -2.864 1.00 92.50 N +ATOM 99 CA PRO A 17 -9.875 6.335 -2.689 1.00 92.58 C +ATOM 100 C PRO A 17 -11.092 5.523 -3.115 1.00 92.03 C +ATOM 101 O PRO A 17 -10.977 4.562 -3.863 1.00 90.72 O +ATOM 102 CB PRO A 17 -9.666 7.549 -3.599 1.00 90.96 C +ATOM 103 CG PRO A 17 -8.756 7.049 -4.656 1.00 89.55 C +ATOM 104 CD PRO A 17 -7.826 6.079 -3.969 1.00 91.57 C +HETATM 105 N HYP A 18 -12.264 5.882 -2.651 1.00 93.26 N +HETATM 106 CA HYP A 18 -13.493 5.296 -3.095 1.00 94.19 C +HETATM 107 C HYP A 18 -13.676 5.396 -4.579 1.00 93.96 C +HETATM 108 O HYP A 18 -13.211 6.384 -5.201 1.00 92.22 O +HETATM 109 CB HYP A 18 -14.558 6.039 -2.361 1.00 93.33 C +HETATM 110 CG HYP A 18 -13.873 6.545 -1.121 1.00 92.94 C +HETATM 111 CD HYP A 18 -12.465 6.833 -1.611 1.00 93.92 C +HETATM 112 OD1 HYP A 18 -13.810 5.539 -0.131 1.00 91.55 O +ATOM 113 N GLY A 19 -14.280 4.403 -5.181 1.00 93.31 N +ATOM 114 CA GLY A 19 -14.558 4.448 -6.591 1.00 92.57 C +ATOM 115 C GLY A 19 -15.547 5.561 -6.914 1.00 92.83 C +ATOM 116 O GLY A 19 -16.165 6.141 -6.018 1.00 92.29 O +ATOM 117 N PRO A 20 -15.718 5.850 -8.190 1.00 92.81 N +ATOM 118 CA PRO A 20 -16.640 6.908 -8.581 1.00 92.38 C +ATOM 119 C PRO A 20 -18.084 6.475 -8.373 1.00 91.93 C +ATOM 120 O PRO A 20 -18.385 5.288 -8.316 1.00 89.77 O +ATOM 121 CB PRO A 20 -16.322 7.116 -10.065 1.00 90.04 C +ATOM 122 CG PRO A 20 -15.823 5.787 -10.510 1.00 87.91 C +ATOM 123 CD PRO A 20 -15.053 5.232 -9.341 1.00 90.82 C +HETATM 124 N HYP A 21 -18.999 7.406 -8.280 1.00 94.28 N +HETATM 125 CA HYP A 21 -20.401 7.126 -8.182 1.00 94.25 C +HETATM 126 C HYP A 21 -20.910 6.373 -9.401 1.00 94.99 C +HETATM 127 O HYP A 21 -20.382 6.560 -10.512 1.00 92.74 O +HETATM 128 CB HYP A 21 -21.053 8.515 -8.171 1.00 92.88 C +HETATM 129 CG HYP A 21 -19.991 9.435 -7.607 1.00 92.70 C +HETATM 130 CD HYP A 21 -18.717 8.844 -8.173 1.00 93.69 C +HETATM 131 OD1 HYP A 21 -19.933 9.327 -6.184 1.00 90.64 O +ATOM 132 N GLY A 22 -21.872 5.508 -9.216 1.00 90.54 N +ATOM 133 CA GLY A 22 -22.461 4.808 -10.329 1.00 89.36 C +ATOM 134 C GLY A 22 -23.152 5.782 -11.276 1.00 89.64 C +ATOM 135 O GLY A 22 -23.329 6.960 -10.963 1.00 88.27 O +ATOM 136 N PRO A 23 -23.580 5.297 -12.434 1.00 89.14 N +ATOM 137 CA PRO A 23 -24.237 6.167 -13.400 1.00 89.36 C +ATOM 138 C PRO A 23 -25.625 6.557 -12.926 1.00 88.64 C +ATOM 139 O PRO A 23 -26.241 5.862 -12.122 1.00 84.93 O +ATOM 140 CB PRO A 23 -24.293 5.311 -14.667 1.00 85.23 C +ATOM 141 CG PRO A 23 -24.343 3.917 -14.147 1.00 81.33 C +ATOM 142 CD PRO A 23 -23.472 3.918 -12.916 1.00 84.58 C +HETATM 143 N HYP A 24 -26.157 7.608 -13.447 1.00 91.06 N +HETATM 144 CA HYP A 24 -27.517 7.969 -13.134 1.00 89.93 C +HETATM 145 C HYP A 24 -28.447 6.905 -13.625 1.00 89.56 C +HETATM 146 O HYP A 24 -28.195 6.398 -14.731 1.00 86.89 O +HETATM 147 CB HYP A 24 -27.776 9.296 -13.861 1.00 90.57 C +HETATM 148 CG HYP A 24 -26.423 9.874 -14.122 1.00 89.99 C +HETATM 149 CD HYP A 24 -25.514 8.642 -14.249 1.00 90.29 C +HETATM 150 OD1 HYP A 24 -26.021 10.602 -12.975 1.00 85.07 O +HETATM 151 OXT HYP A 24 -29.394 6.624 -12.881 1.00 80.13 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_370.txt b/protein_pdb_370.txt new file mode 100644 index 0000000000000000000000000000000000000000..b10b58c67a002fede9d467c273ee9f1902fd4bfd --- /dev/null +++ b/protein_pdb_370.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 14.621 -1.866 -1.644 1.00 93.14 N +ATOM 2 CA GLY A 1 13.614 -1.238 -2.423 1.00 93.71 C +ATOM 3 C GLY A 1 12.734 -0.309 -1.621 1.00 94.40 C +ATOM 4 O GLY A 1 12.700 -0.364 -0.396 1.00 93.01 O +ATOM 5 N PRO A 2 12.027 0.531 -2.299 1.00 93.54 N +ATOM 6 CA PRO A 2 11.147 1.479 -1.633 1.00 93.85 C +ATOM 7 C PRO A 2 9.886 0.810 -1.132 1.00 93.83 C +ATOM 8 O PRO A 2 9.581 -0.321 -1.495 1.00 92.26 O +ATOM 9 CB PRO A 2 10.848 2.489 -2.743 1.00 91.33 C +ATOM 10 CG PRO A 2 10.897 1.660 -3.974 1.00 88.73 C +ATOM 11 CD PRO A 2 12.030 0.700 -3.746 1.00 91.75 C +HETATM 12 N HYP A 3 9.161 1.543 -0.284 1.00 93.35 N +HETATM 13 CA HYP A 3 7.910 1.005 0.194 1.00 92.18 C +HETATM 14 C HYP A 3 6.942 0.763 -0.947 1.00 93.38 C +HETATM 15 O HYP A 3 6.964 1.509 -1.950 1.00 94.03 O +HETATM 16 CB HYP A 3 7.342 2.223 1.049 1.00 90.09 C +HETATM 17 CG HYP A 3 8.572 2.955 1.494 1.00 88.98 C +HETATM 18 CD HYP A 3 9.507 2.842 0.256 1.00 91.60 C +HETATM 19 OD1 HYP A 3 9.133 2.277 2.569 1.00 90.84 O +ATOM 20 N GLY A 4 6.211 -0.309 -0.828 1.00 94.11 N +ATOM 21 CA GLY A 4 5.230 -0.619 -1.827 1.00 93.67 C +ATOM 22 C GLY A 4 4.108 0.400 -1.807 1.00 94.10 C +ATOM 23 O GLY A 4 3.972 1.181 -0.870 1.00 93.93 O +ATOM 24 N PRO A 5 3.288 0.405 -2.859 1.00 93.84 N +ATOM 25 CA PRO A 5 2.181 1.349 -2.928 1.00 93.89 C +ATOM 26 C PRO A 5 1.096 1.005 -1.924 1.00 93.50 C +ATOM 27 O PRO A 5 1.036 -0.108 -1.418 1.00 92.43 O +ATOM 28 CB PRO A 5 1.687 1.203 -4.364 1.00 92.60 C +ATOM 29 CG PRO A 5 2.012 -0.213 -4.689 1.00 91.23 C +ATOM 30 CD PRO A 5 3.327 -0.471 -4.024 1.00 93.60 C +HETATM 31 N HYP A 6 0.244 2.015 -1.646 1.00 92.96 N +HETATM 32 CA HYP A 6 -0.877 1.737 -0.770 1.00 93.55 C +HETATM 33 C HYP A 6 -1.748 0.657 -1.345 1.00 93.25 C +HETATM 34 O HYP A 6 -1.838 0.505 -2.585 1.00 93.91 O +HETATM 35 CB HYP A 6 -1.645 3.118 -0.803 1.00 89.33 C +HETATM 36 CG HYP A 6 -0.567 4.135 -1.098 1.00 89.54 C +HETATM 37 CD HYP A 6 0.321 3.403 -2.098 1.00 91.90 C +HETATM 38 OD1 HYP A 6 0.154 4.391 0.082 1.00 89.70 O +ATOM 39 N GLY A 7 -2.295 -0.156 -0.490 1.00 93.73 N +ATOM 40 CA GLY A 7 -3.174 -1.204 -0.920 1.00 93.35 C +ATOM 41 C GLY A 7 -4.392 -0.626 -1.610 1.00 94.04 C +ATOM 42 O GLY A 7 -4.694 0.557 -1.483 1.00 93.76 O +ATOM 43 N PRO A 8 -5.100 -1.460 -2.344 1.00 93.90 N +ATOM 44 CA PRO A 8 -6.276 -0.974 -3.050 1.00 94.05 C +ATOM 45 C PRO A 8 -7.394 -0.618 -2.087 1.00 94.22 C +ATOM 46 O PRO A 8 -7.477 -1.139 -0.982 1.00 92.50 O +ATOM 47 CB PRO A 8 -6.660 -2.151 -3.942 1.00 91.97 C +ATOM 48 CG PRO A 8 -6.161 -3.331 -3.196 1.00 90.54 C +ATOM 49 CD PRO A 8 -4.866 -2.875 -2.570 1.00 92.94 C +HETATM 50 N HYP A 9 -8.268 0.294 -2.530 1.00 92.89 N +HETATM 51 CA HYP A 9 -9.374 0.663 -1.745 1.00 93.25 C +HETATM 52 C HYP A 9 -10.322 -0.484 -1.537 1.00 93.28 C +HETATM 53 O HYP A 9 -10.603 -1.219 -2.503 1.00 92.67 O +HETATM 54 CB HYP A 9 -10.085 1.765 -2.632 1.00 88.30 C +HETATM 55 CG HYP A 9 -9.024 2.271 -3.568 1.00 89.07 C +HETATM 56 CD HYP A 9 -8.164 1.082 -3.796 1.00 91.80 C +HETATM 57 OD1 HYP A 9 -8.252 3.245 -2.903 1.00 89.04 O +ATOM 58 N GLY A 10 -10.778 -0.777 -0.365 1.00 93.05 N +ATOM 59 CA GLY A 10 -11.784 -1.783 -0.130 1.00 92.09 C +ATOM 60 C GLY A 10 -13.137 -1.227 -0.510 1.00 92.34 C +ATOM 61 O GLY A 10 -13.310 -0.027 -0.717 1.00 90.91 O +ATOM 62 N VAL A 11 -14.116 -2.103 -0.595 1.00 91.67 N +ATOM 63 CA VAL A 11 -15.462 -1.642 -0.907 1.00 92.12 C +ATOM 64 C VAL A 11 -15.943 -0.678 0.170 1.00 92.41 C +ATOM 65 O VAL A 11 -16.577 0.340 -0.123 1.00 91.07 O +ATOM 66 CB VAL A 11 -16.423 -2.833 -1.040 1.00 90.48 C +ATOM 67 CG1 VAL A 11 -17.839 -2.348 -1.283 1.00 85.14 C +ATOM 68 CG2 VAL A 11 -15.978 -3.729 -2.178 1.00 84.56 C +ATOM 69 N HIS A 12 -15.605 -1.000 1.410 1.00 91.62 N +ATOM 70 CA HIS A 12 -15.996 -0.155 2.533 1.00 92.78 C +ATOM 71 C HIS A 12 -14.811 0.251 3.392 1.00 92.52 C +ATOM 72 O HIS A 12 -14.984 0.966 4.382 1.00 89.16 O +ATOM 73 CB HIS A 12 -17.013 -0.894 3.406 1.00 91.33 C +ATOM 74 CG HIS A 12 -18.260 -1.274 2.670 1.00 88.32 C +ATOM 75 ND1 HIS A 12 -18.647 -2.566 2.472 1.00 83.96 N +ATOM 76 CD2 HIS A 12 -19.188 -0.500 2.076 1.00 79.93 C +ATOM 77 CE1 HIS A 12 -19.772 -2.570 1.781 1.00 82.03 C +ATOM 78 NE2 HIS A 12 -20.130 -1.339 1.527 1.00 83.33 N +ATOM 79 N GLY A 13 -13.631 -0.211 3.042 1.00 94.11 N +ATOM 80 CA GLY A 13 -12.462 0.061 3.844 1.00 93.61 C +ATOM 81 C GLY A 13 -11.516 1.058 3.213 1.00 94.43 C +ATOM 82 O GLY A 13 -11.589 1.322 2.009 1.00 94.01 O +ATOM 83 N PRO A 14 -10.631 1.608 4.014 1.00 94.80 N +ATOM 84 CA PRO A 14 -9.647 2.556 3.502 1.00 94.76 C +ATOM 85 C PRO A 14 -8.568 1.833 2.718 1.00 95.01 C +ATOM 86 O PRO A 14 -8.461 0.613 2.766 1.00 94.00 O +ATOM 87 CB PRO A 14 -9.083 3.191 4.770 1.00 93.50 C +ATOM 88 CG PRO A 14 -9.166 2.086 5.767 1.00 92.02 C +ATOM 89 CD PRO A 14 -10.458 1.380 5.448 1.00 93.57 C +HETATM 90 N HYP A 15 -7.773 2.635 2.027 1.00 92.97 N +HETATM 91 CA HYP A 15 -6.658 2.047 1.323 1.00 93.07 C +HETATM 92 C HYP A 15 -5.754 1.335 2.280 1.00 94.78 C +HETATM 93 O HYP A 15 -5.644 1.758 3.456 1.00 93.44 O +HETATM 94 CB HYP A 15 -5.967 3.311 0.736 1.00 90.57 C +HETATM 95 CG HYP A 15 -7.079 4.325 0.600 1.00 89.79 C +HETATM 96 CD HYP A 15 -7.913 4.077 1.837 1.00 91.91 C +HETATM 97 OD1 HYP A 15 -7.846 4.070 -0.548 1.00 89.98 O +ATOM 98 N GLY A 16 -5.154 0.271 1.837 1.00 94.64 N +ATOM 99 CA GLY A 16 -4.227 -0.447 2.668 1.00 94.57 C +ATOM 100 C GLY A 16 -2.990 0.380 2.914 1.00 95.01 C +ATOM 101 O GLY A 16 -2.734 1.370 2.225 1.00 94.67 O +ATOM 102 N PRO A 17 -2.200 -0.016 3.898 1.00 92.73 N +ATOM 103 CA PRO A 17 -0.972 0.707 4.203 1.00 92.65 C +ATOM 104 C PRO A 17 0.061 0.480 3.112 1.00 93.22 C +ATOM 105 O PRO A 17 -0.046 -0.452 2.324 1.00 92.03 O +ATOM 106 CB PRO A 17 -0.532 0.117 5.530 1.00 91.42 C +ATOM 107 CG PRO A 17 -1.066 -1.267 5.483 1.00 89.94 C +ATOM 108 CD PRO A 17 -2.396 -1.148 4.797 1.00 91.49 C +HETATM 109 N HYP A 18 1.062 1.372 3.092 1.00 89.77 N +HETATM 110 CA HYP A 18 2.135 1.153 2.176 1.00 87.45 C +HETATM 111 C HYP A 18 2.787 -0.187 2.390 1.00 90.76 C +HETATM 112 O HYP A 18 2.848 -0.667 3.533 1.00 92.11 O +HETATM 113 CB HYP A 18 3.126 2.297 2.549 1.00 85.55 C +HETATM 114 CG HYP A 18 2.239 3.378 3.110 1.00 85.63 C +HETATM 115 CD HYP A 18 1.207 2.589 3.890 1.00 90.55 C +HETATM 116 OD1 HYP A 18 1.599 4.091 2.060 1.00 87.86 O +ATOM 117 N GLY A 19 3.178 -0.829 1.324 1.00 88.93 N +ATOM 118 CA GLY A 19 3.832 -2.097 1.420 1.00 88.68 C +ATOM 119 C GLY A 19 5.172 -1.958 2.113 1.00 89.00 C +ATOM 120 O GLY A 19 5.701 -0.855 2.252 1.00 89.85 O +ATOM 121 N PRO A 20 5.742 -3.072 2.552 1.00 87.73 N +ATOM 122 CA PRO A 20 7.034 -3.023 3.216 1.00 88.26 C +ATOM 123 C PRO A 20 8.141 -2.690 2.228 1.00 88.01 C +ATOM 124 O PRO A 20 7.980 -2.851 1.022 1.00 87.83 O +ATOM 125 CB PRO A 20 7.183 -4.426 3.781 1.00 86.02 C +ATOM 126 CG PRO A 20 6.403 -5.265 2.835 1.00 84.17 C +ATOM 127 CD PRO A 20 5.220 -4.425 2.460 1.00 87.44 C +HETATM 128 N HYP A 21 9.243 -2.216 2.777 1.00 88.05 N +HETATM 129 CA HYP A 21 10.384 -1.969 1.929 1.00 89.16 C +HETATM 130 C HYP A 21 10.836 -3.202 1.177 1.00 89.17 C +HETATM 131 O HYP A 21 10.742 -4.294 1.719 1.00 91.45 O +HETATM 132 CB HYP A 21 11.467 -1.509 2.921 1.00 86.08 C +HETATM 133 CG HYP A 21 10.709 -0.929 4.081 1.00 85.00 C +HETATM 134 CD HYP A 21 9.502 -1.837 4.174 1.00 89.68 C +HETATM 135 OD1 HYP A 21 10.267 0.384 3.751 1.00 86.22 O +ATOM 136 N GLY A 22 11.236 -3.044 -0.043 1.00 91.70 N +ATOM 137 CA GLY A 22 11.731 -4.140 -0.821 1.00 90.59 C +ATOM 138 C GLY A 22 13.090 -4.586 -0.309 1.00 90.62 C +ATOM 139 O GLY A 22 13.654 -3.962 0.594 1.00 90.58 O +ATOM 140 N PRO A 23 13.653 -5.654 -0.864 1.00 92.51 N +ATOM 141 CA PRO A 23 14.958 -6.137 -0.434 1.00 92.39 C +ATOM 142 C PRO A 23 16.056 -5.227 -0.956 1.00 91.32 C +ATOM 143 O PRO A 23 16.553 -5.413 -2.064 1.00 88.27 O +ATOM 144 CB PRO A 23 15.024 -7.535 -1.033 1.00 89.76 C +ATOM 145 CG PRO A 23 14.193 -7.428 -2.262 1.00 87.59 C +ATOM 146 CD PRO A 23 13.081 -6.470 -1.918 1.00 90.69 C +HETATM 147 N HYP A 24 16.361 -4.184 -0.313 1.00 94.76 N +HETATM 148 CA HYP A 24 16.957 -2.884 -0.825 1.00 90.83 C +HETATM 149 C HYP A 24 16.144 -1.906 -1.400 1.00 93.99 C +HETATM 150 O HYP A 24 16.523 -1.405 -2.581 1.00 93.22 O +HETATM 151 CB HYP A 24 17.898 -2.469 0.247 1.00 89.44 C +HETATM 152 CG HYP A 24 18.020 -3.581 1.192 1.00 88.62 C +HETATM 153 CD HYP A 24 17.054 -4.679 0.787 1.00 92.02 C +HETATM 154 OD1 HYP A 24 19.130 -3.852 1.825 1.00 89.84 O +HETATM 155 OXT HYP A 24 15.780 -0.759 -0.673 1.00 88.57 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_371.txt b/protein_pdb_371.txt new file mode 100644 index 0000000000000000000000000000000000000000..16e7287a1702a31f4d3473a698dd3505b6a69008 --- /dev/null +++ b/protein_pdb_371.txt @@ -0,0 +1,149 @@ +ATOM 1 N GLY A 1 7.358 7.564 -10.583 1.00 90.00 N +ATOM 2 CA GLY A 1 6.423 6.491 -10.580 1.00 90.51 C +ATOM 3 C GLY A 1 5.307 6.675 -9.585 1.00 91.91 C +ATOM 4 O GLY A 1 5.407 7.493 -8.668 1.00 90.54 O +ATOM 5 N PRO A 2 4.269 5.929 -9.748 1.00 89.03 N +ATOM 6 CA PRO A 2 3.126 6.020 -8.854 1.00 89.95 C +ATOM 7 C PRO A 2 3.400 5.341 -7.524 1.00 90.11 C +ATOM 8 O PRO A 2 4.365 4.594 -7.379 1.00 88.16 O +ATOM 9 CB PRO A 2 2.033 5.296 -9.636 1.00 87.31 C +ATOM 10 CG PRO A 2 2.781 4.283 -10.419 1.00 84.14 C +ATOM 11 CD PRO A 2 4.079 4.949 -10.805 1.00 85.77 C +HETATM 12 N HYP A 3 2.520 5.627 -6.573 1.00 91.38 N +HETATM 13 CA HYP A 3 2.650 4.956 -5.292 1.00 92.07 C +HETATM 14 C HYP A 3 2.523 3.447 -5.448 1.00 93.29 C +HETATM 15 O HYP A 3 1.832 2.962 -6.364 1.00 92.34 O +HETATM 16 CB HYP A 3 1.391 5.499 -4.527 1.00 89.21 C +HETATM 17 CG HYP A 3 1.127 6.837 -5.159 1.00 85.54 C +HETATM 18 CD HYP A 3 1.445 6.575 -6.641 1.00 89.08 C +HETATM 19 OD1 HYP A 3 2.026 7.781 -4.666 1.00 87.55 O +ATOM 20 N GLY A 4 3.221 2.748 -4.599 1.00 92.02 N +ATOM 21 CA GLY A 4 3.132 1.315 -4.586 1.00 92.19 C +ATOM 22 C GLY A 4 1.773 0.851 -4.103 1.00 92.60 C +ATOM 23 O GLY A 4 0.955 1.640 -3.628 1.00 92.42 O +ATOM 24 N PRO A 5 1.516 -0.448 -4.204 1.00 90.10 N +ATOM 25 CA PRO A 5 0.232 -0.988 -3.783 1.00 89.99 C +ATOM 26 C PRO A 5 0.093 -0.978 -2.265 1.00 89.70 C +ATOM 27 O PRO A 5 1.076 -0.901 -1.539 1.00 88.31 O +ATOM 28 CB PRO A 5 0.250 -2.415 -4.335 1.00 88.53 C +ATOM 29 CG PRO A 5 1.696 -2.754 -4.400 1.00 87.14 C +ATOM 30 CD PRO A 5 2.400 -1.479 -4.744 1.00 89.09 C +HETATM 31 N HYP A 6 -1.195 -1.036 -1.805 1.00 91.68 N +HETATM 32 CA HYP A 6 -1.415 -1.156 -0.399 1.00 93.96 C +HETATM 33 C HYP A 6 -0.778 -2.371 0.195 1.00 92.18 C +HETATM 34 O HYP A 6 -0.634 -3.408 -0.491 1.00 93.00 O +HETATM 35 CB HYP A 6 -2.970 -1.253 -0.296 1.00 88.63 C +HETATM 36 CG HYP A 6 -3.463 -0.523 -1.520 1.00 87.49 C +HETATM 37 CD HYP A 6 -2.445 -0.922 -2.552 1.00 91.13 C +HETATM 38 OD1 HYP A 6 -3.390 0.862 -1.283 1.00 88.68 O +ATOM 39 N GLY A 7 -0.319 -2.252 1.404 1.00 92.03 N +ATOM 40 CA GLY A 7 0.229 -3.380 2.107 1.00 92.66 C +ATOM 41 C GLY A 7 -0.838 -4.416 2.394 1.00 93.32 C +ATOM 42 O GLY A 7 -2.030 -4.192 2.184 1.00 93.03 O +ATOM 43 N PRO A 8 -0.414 -5.568 2.880 1.00 91.72 N +ATOM 44 CA PRO A 8 -1.365 -6.633 3.168 1.00 92.29 C +ATOM 45 C PRO A 8 -2.220 -6.314 4.382 1.00 91.91 C +ATOM 46 O PRO A 8 -1.835 -5.532 5.246 1.00 90.38 O +ATOM 47 CB PRO A 8 -0.468 -7.841 3.424 1.00 90.73 C +ATOM 48 CG PRO A 8 0.796 -7.254 3.927 1.00 89.25 C +ATOM 49 CD PRO A 8 0.959 -5.952 3.185 1.00 91.70 C +HETATM 50 N HYP A 9 -3.410 -6.970 4.434 1.00 89.69 N +HETATM 51 CA HYP A 9 -4.254 -6.789 5.563 1.00 93.05 C +HETATM 52 C HYP A 9 -3.672 -7.440 6.778 1.00 91.77 C +HETATM 53 O HYP A 9 -3.018 -8.467 6.712 1.00 92.05 O +HETATM 54 CB HYP A 9 -5.515 -7.645 5.176 1.00 87.15 C +HETATM 55 CG HYP A 9 -5.490 -7.752 3.733 1.00 85.78 C +HETATM 56 CD HYP A 9 -4.038 -7.799 3.392 1.00 89.66 C +HETATM 57 OD1 HYP A 9 -6.029 -6.567 3.186 1.00 87.21 O +ATOM 58 N GLY A 10 -3.850 -6.839 7.927 1.00 91.95 N +ATOM 59 CA GLY A 10 -3.590 -7.512 9.170 1.00 90.74 C +ATOM 60 C GLY A 10 -4.704 -8.501 9.454 1.00 91.54 C +ATOM 61 O GLY A 10 -5.700 -8.575 8.729 1.00 90.88 O +ATOM 62 N ALA A 11 -4.561 -9.254 10.508 1.00 90.43 N +ATOM 63 CA ALA A 11 -5.609 -10.185 10.900 1.00 91.69 C +ATOM 64 C ALA A 11 -6.800 -9.373 11.390 1.00 92.32 C +ATOM 65 O ALA A 11 -6.827 -8.906 12.528 1.00 90.14 O +ATOM 66 CB ALA A 11 -5.102 -11.125 11.978 1.00 89.61 C +ATOM 67 N GLY A 12 -7.774 -9.192 10.516 1.00 91.46 N +ATOM 68 CA GLY A 12 -8.906 -8.339 10.804 1.00 91.57 C +ATOM 69 C GLY A 12 -8.599 -6.864 10.688 1.00 92.72 C +ATOM 70 O GLY A 12 -9.460 -6.028 10.991 1.00 88.88 O +ATOM 71 N GLY A 13 -7.400 -6.534 10.247 1.00 93.61 N +ATOM 72 CA GLY A 13 -6.989 -5.152 10.136 1.00 92.62 C +ATOM 73 C GLY A 13 -7.054 -4.636 8.717 1.00 93.49 C +ATOM 74 O GLY A 13 -7.230 -5.399 7.771 1.00 92.85 O +ATOM 75 N PRO A 14 -6.920 -3.341 8.561 1.00 94.13 N +ATOM 76 CA PRO A 14 -6.988 -2.739 7.238 1.00 93.89 C +ATOM 77 C PRO A 14 -5.722 -2.986 6.435 1.00 94.01 C +ATOM 78 O PRO A 14 -4.683 -3.341 6.982 1.00 92.71 O +ATOM 79 CB PRO A 14 -7.159 -1.251 7.536 1.00 92.34 C +ATOM 80 CG PRO A 14 -6.438 -1.066 8.827 1.00 90.93 C +ATOM 81 CD PRO A 14 -6.681 -2.335 9.606 1.00 92.01 C +HETATM 82 N HYP A 15 -5.858 -2.788 5.137 1.00 93.38 N +HETATM 83 CA HYP A 15 -4.706 -2.845 4.302 1.00 94.78 C +HETATM 84 C HYP A 15 -3.682 -1.823 4.714 1.00 94.78 C +HETATM 85 O HYP A 15 -4.048 -0.758 5.282 1.00 92.85 O +HETATM 86 CB HYP A 15 -5.318 -2.466 2.923 1.00 90.93 C +HETATM 87 CG HYP A 15 -6.751 -2.924 3.010 1.00 88.09 C +HETATM 88 CD HYP A 15 -7.113 -2.600 4.430 1.00 91.74 C +HETATM 89 OD1 HYP A 15 -6.832 -4.292 2.786 1.00 89.69 O +ATOM 90 N GLY A 16 -2.444 -2.135 4.474 1.00 94.82 N +ATOM 91 CA GLY A 16 -1.396 -1.189 4.743 1.00 94.65 C +ATOM 92 C GLY A 16 -1.485 0.005 3.821 1.00 94.94 C +ATOM 93 O GLY A 16 -2.246 0.021 2.855 1.00 94.63 O +ATOM 94 N PRO A 17 -0.704 1.026 4.116 1.00 93.02 N +ATOM 95 CA PRO A 17 -0.719 2.222 3.286 1.00 92.99 C +ATOM 96 C PRO A 17 -0.062 1.966 1.938 1.00 93.20 C +ATOM 97 O PRO A 17 0.682 1.008 1.765 1.00 91.71 O +ATOM 98 CB PRO A 17 0.078 3.231 4.109 1.00 91.53 C +ATOM 99 CG PRO A 17 0.991 2.390 4.920 1.00 89.53 C +ATOM 100 CD PRO A 17 0.227 1.140 5.232 1.00 91.20 C +HETATM 101 N HYP A 18 -0.389 2.837 0.956 1.00 89.49 N +HETATM 102 CA HYP A 18 0.282 2.751 -0.282 1.00 91.98 C +HETATM 103 C HYP A 18 1.766 2.867 -0.141 1.00 91.79 C +HETATM 104 O HYP A 18 2.259 3.552 0.780 1.00 91.87 O +HETATM 105 CB HYP A 18 -0.312 3.947 -1.068 1.00 87.26 C +HETATM 106 CG HYP A 18 -1.678 4.143 -0.470 1.00 85.54 C +HETATM 107 CD HYP A 18 -1.433 3.840 0.982 1.00 90.18 C +HETATM 108 OD1 HYP A 18 -2.578 3.193 -1.007 1.00 86.87 O +ATOM 109 N GLY A 19 2.483 2.200 -0.992 1.00 90.82 N +ATOM 110 CA GLY A 19 3.914 2.299 -1.016 1.00 91.76 C +ATOM 111 C GLY A 19 4.369 3.676 -1.447 1.00 92.04 C +ATOM 112 O GLY A 19 3.571 4.501 -1.898 1.00 91.90 O +ATOM 113 N PRO A 20 5.645 3.931 -1.316 1.00 88.40 N +ATOM 114 CA PRO A 20 6.169 5.229 -1.704 1.00 88.99 C +ATOM 115 C PRO A 20 6.170 5.405 -3.212 1.00 88.93 C +ATOM 116 O PRO A 20 6.141 4.434 -3.966 1.00 87.81 O +ATOM 117 CB PRO A 20 7.593 5.209 -1.150 1.00 87.72 C +ATOM 118 CG PRO A 20 7.947 3.766 -1.120 1.00 85.93 C +ATOM 119 CD PRO A 20 6.673 3.046 -0.796 1.00 87.53 C +HETATM 120 N HYP A 21 6.213 6.665 -3.632 1.00 87.68 N +HETATM 121 CA HYP A 21 6.292 6.928 -5.030 1.00 92.65 C +HETATM 122 C HYP A 21 7.561 6.379 -5.651 1.00 89.45 C +HETATM 123 O HYP A 21 8.589 6.357 -4.976 1.00 90.94 O +HETATM 124 CB HYP A 21 6.319 8.465 -5.123 1.00 86.60 C +HETATM 125 CG HYP A 21 5.652 8.918 -3.853 1.00 81.68 C +HETATM 126 CD HYP A 21 6.107 7.877 -2.839 1.00 87.51 C +HETATM 127 OD1 HYP A 21 4.242 8.824 -4.009 1.00 83.98 O +ATOM 128 N GLY A 22 7.450 5.890 -6.849 1.00 90.03 N +ATOM 129 CA GLY A 22 8.613 5.462 -7.578 1.00 88.35 C +ATOM 130 C GLY A 22 9.409 6.664 -8.059 1.00 87.71 C +ATOM 131 O GLY A 22 8.981 7.812 -7.921 1.00 86.98 O +ATOM 132 N PRO A 23 10.564 6.424 -8.647 1.00 90.04 N +ATOM 133 CA PRO A 23 11.379 7.511 -9.173 1.00 90.57 C +ATOM 134 C PRO A 23 10.799 8.010 -10.487 1.00 88.80 C +ATOM 135 O PRO A 23 10.918 7.347 -11.512 1.00 85.39 O +ATOM 136 CB PRO A 23 12.744 6.852 -9.362 1.00 87.72 C +ATOM 137 CG PRO A 23 12.423 5.421 -9.613 1.00 83.71 C +ATOM 138 CD PRO A 23 11.175 5.124 -8.822 1.00 86.52 C +HETATM 139 N HYP A 24 10.051 9.050 -10.447 1.00 91.49 N +HETATM 140 CA HYP A 24 9.058 9.368 -11.456 1.00 86.80 C +HETATM 141 C HYP A 24 7.914 8.577 -11.604 1.00 90.98 C +HETATM 142 O HYP A 24 7.786 7.951 -12.744 1.00 88.40 O +HETATM 143 CB HYP A 24 9.104 10.771 -11.825 1.00 86.27 C +HETATM 144 CG HYP A 24 10.548 11.115 -11.486 1.00 84.17 C +HETATM 145 CD HYP A 24 10.939 10.103 -10.370 1.00 87.20 C +HETATM 146 OD1 HYP A 24 10.688 12.442 -11.075 1.00 87.11 O +HETATM 147 OXT HYP A 24 6.679 9.224 -11.389 1.00 83.82 O +TER 148 HYP A 24 +END diff --git a/protein_pdb_372.txt b/protein_pdb_372.txt new file mode 100644 index 0000000000000000000000000000000000000000..4440edf810a8ff6bf0c03120d1230ba98345c83c --- /dev/null +++ b/protein_pdb_372.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 3.160 10.648 -11.847 1.00 96.50 N +ATOM 2 CA GLY A 1 3.701 10.577 -10.532 1.00 96.72 C +ATOM 3 C GLY A 1 4.217 9.202 -10.170 1.00 97.00 C +ATOM 4 O GLY A 1 3.867 8.208 -10.798 1.00 96.19 O +ATOM 5 N PRO A 2 5.019 9.138 -9.186 1.00 96.71 N +ATOM 6 CA PRO A 2 5.559 7.869 -8.736 1.00 96.88 C +ATOM 7 C PRO A 2 4.519 7.056 -7.981 1.00 97.04 C +ATOM 8 O PRO A 2 3.456 7.566 -7.630 1.00 96.45 O +ATOM 9 CB PRO A 2 6.711 8.294 -7.834 1.00 95.40 C +ATOM 10 CG PRO A 2 6.239 9.587 -7.276 1.00 92.78 C +ATOM 11 CD PRO A 2 5.547 10.265 -8.429 1.00 95.23 C +HETATM 12 N HYP A 3 4.841 5.773 -7.767 1.00 97.05 N +HETATM 13 CA HYP A 3 3.943 4.953 -6.990 1.00 96.07 C +HETATM 14 C HYP A 3 3.732 5.515 -5.611 1.00 97.37 C +HETATM 15 O HYP A 3 4.660 6.141 -5.035 1.00 97.19 O +HETATM 16 CB HYP A 3 4.707 3.591 -6.876 1.00 94.72 C +HETATM 17 CG HYP A 3 5.513 3.527 -8.131 1.00 93.22 C +HETATM 18 CD HYP A 3 5.954 5.005 -8.308 1.00 94.79 C +HETATM 19 OD1 HYP A 3 4.676 3.138 -9.163 1.00 94.21 O +ATOM 20 N GLY A 4 2.534 5.329 -5.109 1.00 96.41 N +ATOM 21 CA GLY A 4 2.215 5.784 -3.790 1.00 96.16 C +ATOM 22 C GLY A 4 2.941 4.964 -2.742 1.00 96.42 C +ATOM 23 O GLY A 4 3.530 3.925 -3.046 1.00 96.67 O +ATOM 24 N PRO A 5 2.915 5.417 -1.488 1.00 96.71 N +ATOM 25 CA PRO A 5 3.583 4.690 -0.415 1.00 96.76 C +ATOM 26 C PRO A 5 2.851 3.400 -0.081 1.00 96.83 C +ATOM 27 O PRO A 5 1.695 3.223 -0.440 1.00 96.50 O +ATOM 28 CB PRO A 5 3.562 5.678 0.742 1.00 95.85 C +ATOM 29 CG PRO A 5 2.317 6.454 0.494 1.00 94.20 C +ATOM 30 CD PRO A 5 2.270 6.624 -0.997 1.00 96.12 C +HETATM 31 N HYP A 6 3.576 2.502 0.606 1.00 96.79 N +HETATM 32 CA HYP A 6 2.931 1.290 1.059 1.00 97.07 C +HETATM 33 C HYP A 6 1.786 1.561 1.997 1.00 97.38 C +HETATM 34 O HYP A 6 1.797 2.559 2.758 1.00 96.63 O +HETATM 35 CB HYP A 6 4.076 0.588 1.862 1.00 94.86 C +HETATM 36 CG HYP A 6 5.324 1.078 1.199 1.00 94.22 C +HETATM 37 CD HYP A 6 4.975 2.529 0.918 1.00 95.15 C +HETATM 38 OD1 HYP A 6 5.513 0.377 0.009 1.00 93.49 O +ATOM 39 N GLY A 7 0.790 0.739 1.909 1.00 96.63 N +ATOM 40 CA GLY A 7 -0.333 0.864 2.786 1.00 96.57 C +ATOM 41 C GLY A 7 0.054 0.492 4.199 1.00 96.62 C +ATOM 42 O GLY A 7 1.143 -0.025 4.447 1.00 96.54 O +ATOM 43 N PRO A 8 -0.820 0.743 5.157 1.00 97.13 N +ATOM 44 CA PRO A 8 -0.531 0.398 6.543 1.00 97.08 C +ATOM 45 C PRO A 8 -0.594 -1.109 6.750 1.00 97.22 C +ATOM 46 O PRO A 8 -1.093 -1.843 5.909 1.00 96.78 O +ATOM 47 CB PRO A 8 -1.625 1.124 7.319 1.00 96.27 C +ATOM 48 CG PRO A 8 -2.753 1.143 6.358 1.00 95.07 C +ATOM 49 CD PRO A 8 -2.111 1.385 5.018 1.00 96.56 C +HETATM 50 N HYP A 9 -0.052 -1.556 7.903 1.00 97.28 N +HETATM 51 CA HYP A 9 -0.143 -2.959 8.206 1.00 96.19 C +HETATM 52 C HYP A 9 -1.524 -3.443 8.341 1.00 97.09 C +HETATM 53 O HYP A 9 -2.408 -2.736 8.835 1.00 96.57 O +HETATM 54 CB HYP A 9 0.568 -3.069 9.593 1.00 94.99 C +HETATM 55 CG HYP A 9 1.500 -1.950 9.607 1.00 94.49 C +HETATM 56 CD HYP A 9 0.778 -0.846 8.885 1.00 95.76 C +HETATM 57 OD1 HYP A 9 2.650 -2.317 8.890 1.00 93.80 O +ATOM 58 N GLY A 10 -1.816 -4.649 7.889 1.00 96.26 N +ATOM 59 CA GLY A 10 -3.076 -5.285 8.165 1.00 95.49 C +ATOM 60 C GLY A 10 -3.096 -5.625 9.641 1.00 95.61 C +ATOM 61 O GLY A 10 -2.087 -5.507 10.330 1.00 95.08 O +ATOM 62 N TRP A 11 -4.238 -6.076 10.139 1.00 96.24 N +ATOM 63 CA TRP A 11 -4.328 -6.347 11.567 1.00 96.39 C +ATOM 64 C TRP A 11 -3.300 -7.365 12.051 1.00 96.10 C +ATOM 65 O TRP A 11 -2.986 -7.399 13.242 1.00 95.37 O +ATOM 66 CB TRP A 11 -5.741 -6.781 11.948 1.00 95.87 C +ATOM 67 CG TRP A 11 -6.131 -8.163 11.539 1.00 92.15 C +ATOM 68 CD1 TRP A 11 -6.448 -8.579 10.294 1.00 91.93 C +ATOM 69 CD2 TRP A 11 -6.276 -9.308 12.401 1.00 92.15 C +ATOM 70 NE1 TRP A 11 -6.775 -9.911 10.312 1.00 87.61 N +ATOM 71 CE2 TRP A 11 -6.679 -10.372 11.584 1.00 90.27 C +ATOM 72 CE3 TRP A 11 -6.108 -9.512 13.766 1.00 88.71 C +ATOM 73 CZ2 TRP A 11 -6.916 -11.660 12.104 1.00 91.64 C +ATOM 74 CZ3 TRP A 11 -6.340 -10.773 14.276 1.00 87.31 C +ATOM 75 CH2 TRP A 11 -6.738 -11.829 13.459 1.00 86.43 C +ATOM 76 N MET A 12 -2.769 -8.183 11.154 1.00 96.23 N +ATOM 77 CA MET A 12 -1.690 -9.099 11.512 1.00 96.32 C +ATOM 78 C MET A 12 -0.765 -9.353 10.332 1.00 96.66 C +ATOM 79 O MET A 12 -0.131 -10.397 10.252 1.00 94.28 O +ATOM 80 CB MET A 12 -2.251 -10.427 12.038 1.00 94.80 C +ATOM 81 CG MET A 12 -2.965 -11.257 11.006 1.00 90.63 C +ATOM 82 SD MET A 12 -3.614 -12.798 11.681 1.00 86.52 S +ATOM 83 CE MET A 12 -2.108 -13.570 12.223 1.00 78.36 C +ATOM 84 N GLY A 13 -0.667 -8.409 9.420 1.00 96.48 N +ATOM 85 CA GLY A 13 0.117 -8.604 8.222 1.00 96.36 C +ATOM 86 C GLY A 13 1.050 -7.454 7.911 1.00 96.83 C +ATOM 87 O GLY A 13 1.082 -6.452 8.618 1.00 96.62 O +ATOM 88 N PRO A 14 1.829 -7.606 6.843 1.00 97.32 N +ATOM 89 CA PRO A 14 2.774 -6.581 6.433 1.00 97.35 C +ATOM 90 C PRO A 14 2.067 -5.386 5.831 1.00 97.51 C +ATOM 91 O PRO A 14 0.860 -5.403 5.616 1.00 97.18 O +ATOM 92 CB PRO A 14 3.633 -7.299 5.402 1.00 96.65 C +ATOM 93 CG PRO A 14 2.685 -8.261 4.780 1.00 95.14 C +ATOM 94 CD PRO A 14 1.845 -8.750 5.934 1.00 96.67 C +HETATM 95 N HYP A 15 2.858 -4.351 5.582 1.00 97.35 N +HETATM 96 CA HYP A 15 2.302 -3.218 4.894 1.00 97.35 C +HETATM 97 C HYP A 15 1.673 -3.564 3.590 1.00 97.95 C +HETATM 98 O HYP A 15 2.120 -4.533 2.925 1.00 96.89 O +HETATM 99 CB HYP A 15 3.549 -2.323 4.705 1.00 95.59 C +HETATM 100 CG HYP A 15 4.414 -2.674 5.884 1.00 94.41 C +HETATM 101 CD HYP A 15 4.225 -4.183 6.003 1.00 95.95 C +HETATM 102 OD1 HYP A 15 3.932 -2.032 7.032 1.00 93.94 O +ATOM 103 N GLY A 16 0.655 -2.845 3.217 1.00 97.32 N +ATOM 104 CA GLY A 16 0.003 -3.065 1.963 1.00 97.29 C +ATOM 105 C GLY A 16 0.910 -2.703 0.807 1.00 97.32 C +ATOM 106 O GLY A 16 1.980 -2.130 1.003 1.00 97.22 O +ATOM 107 N PRO A 17 0.492 -3.042 -0.408 1.00 96.94 N +ATOM 108 CA PRO A 17 1.306 -2.741 -1.579 1.00 96.85 C +ATOM 109 C PRO A 17 1.350 -1.252 -1.858 1.00 97.12 C +ATOM 110 O PRO A 17 0.526 -0.488 -1.369 1.00 96.88 O +ATOM 111 CB PRO A 17 0.607 -3.509 -2.691 1.00 96.03 C +ATOM 112 CG PRO A 17 -0.812 -3.530 -2.253 1.00 94.28 C +ATOM 113 CD PRO A 17 -0.738 -3.722 -0.765 1.00 95.97 C +HETATM 114 N HYP A 18 2.355 -0.851 -2.658 1.00 96.25 N +HETATM 115 CA HYP A 18 2.416 0.495 -3.059 1.00 95.89 C +HETATM 116 C HYP A 18 1.212 0.947 -3.838 1.00 97.07 C +HETATM 117 O HYP A 18 0.553 0.123 -4.515 1.00 95.93 O +HETATM 118 CB HYP A 18 3.641 0.498 -4.026 1.00 93.73 C +HETATM 119 CG HYP A 18 4.494 -0.633 -3.544 1.00 92.76 C +HETATM 120 CD HYP A 18 3.444 -1.664 -3.156 1.00 94.95 C +HETATM 121 OD1 HYP A 18 5.207 -0.223 -2.383 1.00 92.46 O +ATOM 122 N GLY A 19 0.877 2.181 -3.699 1.00 96.03 N +ATOM 123 CA GLY A 19 -0.217 2.732 -4.448 1.00 95.98 C +ATOM 124 C GLY A 19 0.141 2.816 -5.915 1.00 96.11 C +ATOM 125 O GLY A 19 1.299 2.650 -6.301 1.00 96.38 O +ATOM 126 N PRO A 20 -0.842 3.069 -6.759 1.00 96.30 N +ATOM 127 CA PRO A 20 -0.588 3.169 -8.187 1.00 96.45 C +ATOM 128 C PRO A 20 0.149 4.449 -8.532 1.00 96.54 C +ATOM 129 O PRO A 20 0.211 5.375 -7.726 1.00 96.50 O +ATOM 130 CB PRO A 20 -1.992 3.146 -8.787 1.00 95.30 C +ATOM 131 CG PRO A 20 -2.811 3.785 -7.731 1.00 93.01 C +ATOM 132 CD PRO A 20 -2.242 3.260 -6.438 1.00 95.02 C +HETATM 133 N HYP A 21 0.749 4.457 -9.731 1.00 96.58 N +HETATM 134 CA HYP A 21 1.383 5.665 -10.174 1.00 95.77 C +HETATM 135 C HYP A 21 0.445 6.829 -10.276 1.00 96.67 C +HETATM 136 O HYP A 21 -0.725 6.638 -10.623 1.00 96.20 O +HETATM 137 CB HYP A 21 1.902 5.323 -11.601 1.00 94.24 C +HETATM 138 CG HYP A 21 2.101 3.847 -11.579 1.00 92.98 C +HETATM 139 CD HYP A 21 0.965 3.339 -10.691 1.00 94.83 C +HETATM 140 OD1 HYP A 21 3.347 3.560 -10.954 1.00 92.88 O +ATOM 141 N GLY A 22 0.928 8.000 -9.963 1.00 95.43 N +ATOM 142 CA GLY A 22 0.143 9.185 -10.104 1.00 94.46 C +ATOM 143 C GLY A 22 0.043 9.555 -11.582 1.00 94.53 C +ATOM 144 O GLY A 22 0.715 8.962 -12.417 1.00 94.65 O +ATOM 145 N PRO A 23 -0.770 10.548 -11.932 1.00 95.92 N +ATOM 146 CA PRO A 23 -0.915 10.959 -13.321 1.00 95.56 C +ATOM 147 C PRO A 23 0.246 11.836 -13.751 1.00 94.83 C +ATOM 148 O PRO A 23 0.291 13.012 -13.426 1.00 92.83 O +ATOM 149 CB PRO A 23 -2.237 11.714 -13.316 1.00 93.78 C +ATOM 150 CG PRO A 23 -2.287 12.304 -11.958 1.00 91.20 C +ATOM 151 CD PRO A 23 -1.657 11.268 -11.048 1.00 94.96 C +HETATM 152 N HYP A 24 1.206 11.208 -14.324 1.00 97.05 N +HETATM 153 CA HYP A 24 2.707 11.330 -14.399 1.00 94.43 C +HETATM 154 C HYP A 24 3.525 11.180 -13.327 1.00 97.17 C +HETATM 155 O HYP A 24 4.463 12.081 -12.991 1.00 96.01 O +HETATM 156 CB HYP A 24 3.095 11.613 -15.754 1.00 93.79 C +HETATM 157 CG HYP A 24 1.801 12.156 -16.394 1.00 93.19 C +HETATM 158 CD HYP A 24 0.650 11.588 -15.510 1.00 95.71 C +HETATM 159 OD1 HYP A 24 1.682 11.709 -17.711 1.00 93.03 O +HETATM 160 OXT HYP A 24 4.355 10.091 -13.300 1.00 91.29 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_373.txt b/protein_pdb_373.txt new file mode 100644 index 0000000000000000000000000000000000000000..392373a39457a9882b2c1ca9b987839498b92a0b --- /dev/null +++ b/protein_pdb_373.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -4.606 15.049 3.398 1.00 77.20 N +ATOM 2 CA GLY A 1 -5.484 14.021 2.952 1.00 77.52 C +ATOM 3 C GLY A 1 -5.388 12.751 3.767 1.00 78.44 C +ATOM 4 O GLY A 1 -4.468 12.591 4.573 1.00 74.69 O +ATOM 5 N PRO A 2 -6.303 11.855 3.576 1.00 80.42 N +ATOM 6 CA PRO A 2 -6.338 10.611 4.323 1.00 81.98 C +ATOM 7 C PRO A 2 -5.298 9.621 3.832 1.00 81.10 C +ATOM 8 O PRO A 2 -4.716 9.782 2.759 1.00 78.03 O +ATOM 9 CB PRO A 2 -7.753 10.102 4.064 1.00 77.57 C +ATOM 10 CG PRO A 2 -8.067 10.632 2.712 1.00 74.36 C +ATOM 11 CD PRO A 2 -7.413 11.981 2.650 1.00 75.56 C +HETATM 12 N HYP A 3 -5.107 8.597 4.626 1.00 79.17 N +HETATM 13 CA HYP A 3 -4.208 7.530 4.224 1.00 81.96 C +HETATM 14 C HYP A 3 -4.679 6.866 2.955 1.00 77.68 C +HETATM 15 O HYP A 3 -5.907 6.825 2.689 1.00 84.53 O +HETATM 16 CB HYP A 3 -4.315 6.569 5.431 1.00 79.47 C +HETATM 17 CG HYP A 3 -4.656 7.490 6.575 1.00 72.22 C +HETATM 18 CD HYP A 3 -5.584 8.510 5.943 1.00 76.82 C +HETATM 19 OD1 HYP A 3 -3.493 8.129 7.035 1.00 81.32 O +ATOM 20 N GLY A 4 -3.763 6.424 2.158 1.00 82.62 N +ATOM 21 CA GLY A 4 -4.095 5.736 0.944 1.00 80.77 C +ATOM 22 C GLY A 4 -4.715 4.382 1.230 1.00 81.94 C +ATOM 23 O GLY A 4 -4.754 3.928 2.372 1.00 79.58 O +ATOM 24 N PRO A 5 -5.196 3.721 0.187 1.00 83.04 N +ATOM 25 CA PRO A 5 -5.805 2.406 0.360 1.00 82.39 C +ATOM 26 C PRO A 5 -4.756 1.350 0.675 1.00 81.80 C +ATOM 27 O PRO A 5 -3.563 1.561 0.479 1.00 79.60 O +ATOM 28 CB PRO A 5 -6.467 2.143 -0.988 1.00 79.42 C +ATOM 29 CG PRO A 5 -5.642 2.923 -1.948 1.00 76.95 C +ATOM 30 CD PRO A 5 -5.197 4.145 -1.202 1.00 78.62 C +HETATM 31 N HYP A 6 -5.232 0.226 1.183 1.00 82.18 N +HETATM 32 CA HYP A 6 -4.332 -0.916 1.395 1.00 88.66 C +HETATM 33 C HYP A 6 -3.593 -1.296 0.163 1.00 82.75 C +HETATM 34 O HYP A 6 -4.135 -1.157 -0.969 1.00 86.53 O +HETATM 35 CB HYP A 6 -5.285 -1.975 1.861 1.00 80.22 C +HETATM 36 CG HYP A 6 -6.426 -1.238 2.481 1.00 78.87 C +HETATM 37 CD HYP A 6 -6.558 -0.050 1.588 1.00 81.93 C +HETATM 38 OD1 HYP A 6 -6.121 -0.844 3.777 1.00 81.29 O +ATOM 39 N GLY A 7 -2.361 -1.663 0.306 1.00 86.42 N +ATOM 40 CA GLY A 7 -1.540 -2.041 -0.813 1.00 84.16 C +ATOM 41 C GLY A 7 -2.022 -3.339 -1.456 1.00 84.33 C +ATOM 42 O GLY A 7 -2.921 -4.006 -0.951 1.00 82.68 O +ATOM 43 N PRO A 8 -1.409 -3.698 -2.561 1.00 84.34 N +ATOM 44 CA PRO A 8 -1.787 -4.930 -3.246 1.00 83.17 C +ATOM 45 C PRO A 8 -1.453 -6.163 -2.418 1.00 82.13 C +ATOM 46 O PRO A 8 -0.555 -6.135 -1.580 1.00 79.05 O +ATOM 47 CB PRO A 8 -0.968 -4.922 -4.535 1.00 80.12 C +ATOM 48 CG PRO A 8 -0.311 -3.601 -4.596 1.00 80.90 C +ATOM 49 CD PRO A 8 -0.332 -3.000 -3.236 1.00 83.41 C +HETATM 50 N HYP A 9 -2.164 -7.244 -2.686 1.00 77.47 N +HETATM 51 CA HYP A 9 -1.883 -8.474 -2.058 1.00 81.39 C +HETATM 52 C HYP A 9 -0.480 -8.943 -2.372 1.00 77.75 C +HETATM 53 O HYP A 9 0.019 -8.735 -3.459 1.00 80.25 O +HETATM 54 CB HYP A 9 -2.848 -9.432 -2.773 1.00 74.43 C +HETATM 55 CG HYP A 9 -3.939 -8.610 -3.233 1.00 72.71 C +HETATM 56 CD HYP A 9 -3.297 -7.335 -3.565 1.00 78.24 C +HETATM 57 OD1 HYP A 9 -4.876 -8.398 -2.186 1.00 74.30 O +ATOM 58 N GLY A 10 0.158 -9.535 -1.425 1.00 81.57 N +ATOM 59 CA GLY A 10 1.487 -10.077 -1.601 1.00 78.38 C +ATOM 60 C GLY A 10 1.485 -11.439 -2.260 1.00 78.88 C +ATOM 61 O GLY A 10 2.547 -12.036 -2.422 1.00 75.21 O +ATOM 62 N GLY A 11 0.325 -11.935 -2.625 1.00 75.92 N +ATOM 63 CA GLY A 11 0.209 -13.260 -3.203 1.00 75.74 C +ATOM 64 C GLY A 11 -0.175 -14.261 -2.147 1.00 77.62 C +ATOM 65 O GLY A 11 -1.216 -14.912 -2.238 1.00 72.06 O +ATOM 66 N GLN A 12 0.667 -14.372 -1.144 1.00 73.04 N +ATOM 67 CA GLN A 12 0.398 -15.230 -0.007 1.00 76.32 C +ATOM 68 C GLN A 12 -0.044 -14.441 1.217 1.00 77.75 C +ATOM 69 O GLN A 12 -0.374 -15.034 2.239 1.00 70.01 O +ATOM 70 CB GLN A 12 1.658 -16.033 0.348 1.00 70.98 C +ATOM 71 CG GLN A 12 2.182 -16.892 -0.790 1.00 66.48 C +ATOM 72 CD GLN A 12 1.187 -17.965 -1.214 1.00 59.67 C +ATOM 73 OE1 GLN A 12 0.385 -18.429 -0.409 1.00 58.84 O +ATOM 74 NE2 GLN A 12 1.230 -18.349 -2.469 1.00 57.23 N +ATOM 75 N GLY A 13 -0.045 -13.129 1.120 1.00 81.69 N +ATOM 76 CA GLY A 13 -0.360 -12.289 2.252 1.00 79.26 C +ATOM 77 C GLY A 13 -1.502 -11.332 1.996 1.00 81.13 C +ATOM 78 O GLY A 13 -1.988 -11.210 0.869 1.00 79.00 O +ATOM 79 N PRO A 14 -1.953 -10.681 3.050 1.00 85.12 N +ATOM 80 CA PRO A 14 -3.052 -9.730 2.940 1.00 85.45 C +ATOM 81 C PRO A 14 -2.608 -8.453 2.245 1.00 85.74 C +ATOM 82 O PRO A 14 -1.428 -8.246 1.977 1.00 83.23 O +ATOM 83 CB PRO A 14 -3.438 -9.469 4.392 1.00 82.32 C +ATOM 84 CG PRO A 14 -2.160 -9.637 5.134 1.00 82.58 C +ATOM 85 CD PRO A 14 -1.424 -10.742 4.412 1.00 83.54 C +HETATM 86 N HYP A 15 -3.575 -7.624 1.975 1.00 83.77 N +HETATM 87 CA HYP A 15 -3.278 -6.323 1.444 1.00 87.48 C +HETATM 88 C HYP A 15 -2.282 -5.615 2.272 1.00 88.07 C +HETATM 89 O HYP A 15 -2.260 -5.828 3.520 1.00 85.05 O +HETATM 90 CB HYP A 15 -4.627 -5.664 1.359 1.00 83.38 C +HETATM 91 CG HYP A 15 -5.559 -6.823 1.199 1.00 77.01 C +HETATM 92 CD HYP A 15 -4.963 -7.864 2.080 1.00 83.95 C +HETATM 93 OD1 HYP A 15 -5.607 -7.229 -0.115 1.00 83.97 O +ATOM 94 N GLY A 16 -1.473 -4.818 1.688 1.00 85.71 N +ATOM 95 CA GLY A 16 -0.504 -4.055 2.422 1.00 84.26 C +ATOM 96 C GLY A 16 -1.169 -2.997 3.280 1.00 85.52 C +ATOM 97 O GLY A 16 -2.381 -2.801 3.223 1.00 84.30 O +ATOM 98 N PRO A 17 -0.368 -2.313 4.084 1.00 87.40 N +ATOM 99 CA PRO A 17 -0.915 -1.271 4.939 1.00 86.88 C +ATOM 100 C PRO A 17 -1.391 -0.074 4.128 1.00 87.53 C +ATOM 101 O PRO A 17 -1.045 0.078 2.956 1.00 85.62 O +ATOM 102 CB PRO A 17 0.257 -0.903 5.853 1.00 83.80 C +ATOM 103 CG PRO A 17 1.460 -1.317 5.102 1.00 82.80 C +ATOM 104 CD PRO A 17 1.067 -2.483 4.249 1.00 84.12 C +HETATM 105 N HYP A 18 -2.214 0.733 4.736 1.00 84.26 N +HETATM 106 CA HYP A 18 -2.634 1.951 4.130 1.00 88.79 C +HETATM 107 C HYP A 18 -1.528 2.768 3.652 1.00 84.66 C +HETATM 108 O HYP A 18 -0.422 2.782 4.282 1.00 86.91 O +HETATM 109 CB HYP A 18 -3.446 2.586 5.221 1.00 81.34 C +HETATM 110 CG HYP A 18 -3.947 1.436 6.034 1.00 80.79 C +HETATM 111 CD HYP A 18 -2.791 0.509 6.026 1.00 83.42 C +HETATM 112 OD1 HYP A 18 -5.065 0.851 5.431 1.00 83.91 O +ATOM 113 N GLY A 19 -1.705 3.431 2.558 1.00 81.91 N +ATOM 114 CA GLY A 19 -0.702 4.300 2.005 1.00 80.37 C +ATOM 115 C GLY A 19 -0.470 5.505 2.890 1.00 81.13 C +ATOM 116 O GLY A 19 -1.158 5.708 3.889 1.00 80.17 O +ATOM 117 N PRO A 20 0.504 6.311 2.527 1.00 78.51 N +ATOM 118 CA PRO A 20 0.815 7.485 3.325 1.00 77.88 C +ATOM 119 C PRO A 20 -0.281 8.529 3.238 1.00 76.73 C +ATOM 120 O PRO A 20 -1.078 8.541 2.306 1.00 75.38 O +ATOM 121 CB PRO A 20 2.118 7.994 2.712 1.00 74.73 C +ATOM 122 CG PRO A 20 2.063 7.513 1.309 1.00 73.31 C +ATOM 123 CD PRO A 20 1.359 6.184 1.363 1.00 73.94 C +HETATM 124 N HYP A 21 -0.326 9.388 4.215 1.00 81.58 N +HETATM 125 CA HYP A 21 -1.229 10.475 4.208 1.00 83.45 C +HETATM 126 C HYP A 21 -1.076 11.384 3.024 1.00 81.59 C +HETATM 127 O HYP A 21 0.069 11.617 2.575 1.00 85.48 O +HETATM 128 CB HYP A 21 -0.840 11.227 5.500 1.00 77.33 C +HETATM 129 CG HYP A 21 -0.218 10.198 6.377 1.00 74.21 C +HETATM 130 CD HYP A 21 0.483 9.340 5.420 1.00 81.48 C +HETATM 131 OD1 HYP A 21 -1.221 9.440 7.056 1.00 81.88 O +ATOM 132 N GLY A 22 -2.134 11.785 2.456 1.00 83.24 N +ATOM 133 CA GLY A 22 -2.082 12.724 1.369 1.00 80.56 C +ATOM 134 C GLY A 22 -1.704 14.100 1.884 1.00 80.34 C +ATOM 135 O GLY A 22 -1.601 14.319 3.091 1.00 77.73 O +ATOM 136 N PRO A 23 -1.515 15.049 0.989 1.00 83.24 N +ATOM 137 CA PRO A 23 -1.203 16.408 1.420 1.00 83.66 C +ATOM 138 C PRO A 23 -2.449 17.053 2.012 1.00 82.34 C +ATOM 139 O PRO A 23 -3.450 17.204 1.323 1.00 78.05 O +ATOM 140 CB PRO A 23 -0.758 17.099 0.130 1.00 78.39 C +ATOM 141 CG PRO A 23 -1.438 16.332 -0.947 1.00 75.17 C +ATOM 142 CD PRO A 23 -1.546 14.916 -0.453 1.00 78.20 C +HETATM 143 N HYP A 24 -2.469 17.311 3.247 1.00 82.26 N +HETATM 144 CA HYP A 24 -3.759 17.493 3.919 1.00 69.63 C +HETATM 145 C HYP A 24 -4.775 16.648 3.763 1.00 72.66 C +HETATM 146 O HYP A 24 -5.768 16.999 2.970 1.00 74.48 O +HETATM 147 CB HYP A 24 -3.504 18.307 5.153 1.00 70.51 C +HETATM 148 CG HYP A 24 -2.226 19.047 4.816 1.00 76.83 C +HETATM 149 CD HYP A 24 -1.494 18.127 3.819 1.00 78.82 C +HETATM 150 OD1 HYP A 24 -1.413 19.344 5.944 1.00 76.75 O +HETATM 151 OXT HYP A 24 -5.287 16.081 4.906 1.00 74.46 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_374.txt b/protein_pdb_374.txt new file mode 100644 index 0000000000000000000000000000000000000000..a675fb65d34d555cb340d7e62878f78fe759fbd1 --- /dev/null +++ b/protein_pdb_374.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 8.909 -4.436 -11.254 1.00 84.94 N +ATOM 2 CA GLY A 1 8.863 -2.989 -11.121 1.00 87.21 C +ATOM 3 C GLY A 1 8.914 -2.571 -9.675 1.00 89.00 C +ATOM 4 O GLY A 1 8.970 -3.422 -8.782 1.00 86.43 O +ATOM 5 N PRO A 2 8.879 -1.278 -9.404 1.00 87.64 N +ATOM 6 CA PRO A 2 8.946 -0.792 -8.038 1.00 89.55 C +ATOM 7 C PRO A 2 7.692 -1.128 -7.243 1.00 89.63 C +ATOM 8 O PRO A 2 6.646 -1.422 -7.808 1.00 88.35 O +ATOM 9 CB PRO A 2 9.114 0.717 -8.204 1.00 86.13 C +ATOM 10 CG PRO A 2 8.480 1.002 -9.512 1.00 82.05 C +ATOM 11 CD PRO A 2 8.797 -0.183 -10.371 1.00 83.70 C +HETATM 12 N HYP A 3 7.844 -1.106 -5.957 1.00 90.65 N +HETATM 13 CA HYP A 3 6.677 -1.312 -5.093 1.00 88.58 C +HETATM 14 C HYP A 3 5.606 -0.298 -5.365 1.00 92.08 C +HETATM 15 O HYP A 3 5.897 0.856 -5.762 1.00 91.67 O +HETATM 16 CB HYP A 3 7.298 -1.119 -3.675 1.00 90.30 C +HETATM 17 CG HYP A 3 8.723 -1.574 -3.843 1.00 87.62 C +HETATM 18 CD HYP A 3 9.081 -0.988 -5.220 1.00 89.17 C +HETATM 19 OD1 HYP A 3 8.766 -2.967 -3.898 1.00 88.57 O +ATOM 20 N GLY A 4 4.377 -0.736 -5.192 1.00 92.51 N +ATOM 21 CA GLY A 4 3.261 0.140 -5.383 1.00 91.97 C +ATOM 22 C GLY A 4 3.220 1.212 -4.310 1.00 92.40 C +ATOM 23 O GLY A 4 3.954 1.151 -3.326 1.00 92.64 O +ATOM 24 N PRO A 5 2.354 2.203 -4.487 1.00 92.04 N +ATOM 25 CA PRO A 5 2.247 3.277 -3.506 1.00 92.39 C +ATOM 26 C PRO A 5 1.601 2.793 -2.223 1.00 91.90 C +ATOM 27 O PRO A 5 0.952 1.759 -2.186 1.00 91.05 O +ATOM 28 CB PRO A 5 1.384 4.313 -4.221 1.00 90.48 C +ATOM 29 CG PRO A 5 0.544 3.504 -5.133 1.00 88.26 C +ATOM 30 CD PRO A 5 1.436 2.392 -5.611 1.00 90.90 C +HETATM 31 N HYP A 6 1.818 3.567 -1.155 1.00 92.16 N +HETATM 32 CA HYP A 6 1.171 3.250 0.100 1.00 92.95 C +HETATM 33 C HYP A 6 -0.324 3.251 -0.008 1.00 92.65 C +HETATM 34 O HYP A 6 -0.896 4.028 -0.792 1.00 91.70 O +HETATM 35 CB HYP A 6 1.647 4.422 1.004 1.00 89.67 C +HETATM 36 CG HYP A 6 2.962 4.821 0.405 1.00 89.23 C +HETATM 37 CD HYP A 6 2.700 4.700 -1.076 1.00 91.05 C +HETATM 38 OD1 HYP A 6 3.959 3.907 0.791 1.00 87.57 O +ATOM 39 N GLY A 7 -0.940 2.374 0.728 1.00 92.93 N +ATOM 40 CA GLY A 7 -2.372 2.315 0.743 1.00 92.45 C +ATOM 41 C GLY A 7 -2.956 3.564 1.377 1.00 93.34 C +ATOM 42 O GLY A 7 -2.235 4.386 1.934 1.00 93.31 O +ATOM 43 N PRO A 8 -4.258 3.711 1.292 1.00 93.20 N +ATOM 44 CA PRO A 8 -4.903 4.874 1.882 1.00 93.55 C +ATOM 45 C PRO A 8 -4.897 4.799 3.403 1.00 93.62 C +ATOM 46 O PRO A 8 -4.739 3.729 3.980 1.00 91.92 O +ATOM 47 CB PRO A 8 -6.320 4.818 1.325 1.00 91.66 C +ATOM 48 CG PRO A 8 -6.549 3.372 1.103 1.00 89.87 C +ATOM 49 CD PRO A 8 -5.226 2.828 0.637 1.00 92.03 C +HETATM 50 N HYP A 9 -5.068 5.943 4.039 1.00 91.59 N +HETATM 51 CA HYP A 9 -5.167 5.984 5.467 1.00 92.25 C +HETATM 52 C HYP A 9 -6.361 5.217 5.964 1.00 92.88 C +HETATM 53 O HYP A 9 -7.404 5.172 5.312 1.00 91.42 O +HETATM 54 CB HYP A 9 -5.320 7.484 5.763 1.00 89.46 C +HETATM 55 CG HYP A 9 -4.685 8.165 4.612 1.00 89.07 C +HETATM 56 CD HYP A 9 -5.009 7.289 3.455 1.00 91.50 C +HETATM 57 OD1 HYP A 9 -3.292 8.183 4.787 1.00 87.04 O +ATOM 58 N GLY A 10 -6.251 4.583 7.100 1.00 92.85 N +ATOM 59 CA GLY A 10 -7.390 3.964 7.732 1.00 91.39 C +ATOM 60 C GLY A 10 -8.309 5.054 8.257 1.00 92.24 C +ATOM 61 O GLY A 10 -8.044 6.242 8.086 1.00 91.42 O +ATOM 62 N GLN A 11 -9.382 4.642 8.908 1.00 93.52 N +ATOM 63 CA GLN A 11 -10.315 5.630 9.454 1.00 94.82 C +ATOM 64 C GLN A 11 -9.592 6.654 10.311 1.00 94.91 C +ATOM 65 O GLN A 11 -9.805 7.854 10.174 1.00 92.15 O +ATOM 66 CB GLN A 11 -11.387 4.928 10.290 1.00 92.64 C +ATOM 67 CG GLN A 11 -12.314 4.046 9.469 1.00 89.10 C +ATOM 68 CD GLN A 11 -13.198 4.851 8.529 1.00 83.06 C +ATOM 69 OE1 GLN A 11 -13.520 6.010 8.797 1.00 77.33 O +ATOM 70 NE2 GLN A 11 -13.589 4.250 7.434 1.00 76.28 N +ATOM 71 N ASP A 12 -8.735 6.177 11.195 1.00 94.48 N +ATOM 72 CA ASP A 12 -7.953 7.038 12.080 1.00 95.08 C +ATOM 73 C ASP A 12 -6.528 6.521 12.185 1.00 95.32 C +ATOM 74 O ASP A 12 -5.918 6.587 13.252 1.00 92.20 O +ATOM 75 CB ASP A 12 -8.591 7.078 13.470 1.00 93.56 C +ATOM 76 CG ASP A 12 -10.014 7.620 13.435 1.00 88.35 C +ATOM 77 OD1 ASP A 12 -10.942 6.804 13.455 1.00 87.19 O +ATOM 78 OD2 ASP A 12 -10.171 8.854 13.404 1.00 84.63 O +ATOM 79 N GLY A 13 -6.000 5.984 11.107 1.00 95.27 N +ATOM 80 CA GLY A 13 -4.718 5.311 11.173 1.00 94.71 C +ATOM 81 C GLY A 13 -3.772 5.647 10.050 1.00 95.23 C +ATOM 82 O GLY A 13 -4.071 6.462 9.176 1.00 94.59 O +ATOM 83 N PRO A 14 -2.605 5.019 10.081 1.00 94.70 N +ATOM 84 CA PRO A 14 -1.564 5.281 9.095 1.00 94.76 C +ATOM 85 C PRO A 14 -1.917 4.709 7.735 1.00 94.81 C +ATOM 86 O PRO A 14 -2.837 3.912 7.591 1.00 93.85 O +ATOM 87 CB PRO A 14 -0.344 4.580 9.689 1.00 93.14 C +ATOM 88 CG PRO A 14 -0.920 3.438 10.444 1.00 91.92 C +ATOM 89 CD PRO A 14 -2.191 3.989 11.041 1.00 93.69 C +HETATM 90 N HYP A 15 -1.134 5.140 6.778 1.00 94.57 N +HETATM 91 CA HYP A 15 -1.272 4.591 5.439 1.00 94.67 C +HETATM 92 C HYP A 15 -1.020 3.118 5.402 1.00 95.38 C +HETATM 93 O HYP A 15 -0.259 2.609 6.257 1.00 93.79 O +HETATM 94 CB HYP A 15 -0.187 5.377 4.673 1.00 91.51 C +HETATM 95 CG HYP A 15 -0.019 6.669 5.450 1.00 90.82 C +HETATM 96 CD HYP A 15 -0.183 6.220 6.886 1.00 92.58 C +HETATM 97 OD1 HYP A 15 -1.034 7.560 5.118 1.00 90.40 O +ATOM 98 N GLY A 16 -1.638 2.439 4.499 1.00 94.94 N +ATOM 99 CA GLY A 16 -1.399 1.031 4.346 1.00 94.87 C +ATOM 100 C GLY A 16 -0.004 0.778 3.820 1.00 95.31 C +ATOM 101 O GLY A 16 0.708 1.709 3.434 1.00 94.86 O +ATOM 102 N PRO A 17 0.404 -0.486 3.794 1.00 93.63 N +ATOM 103 CA PRO A 17 1.733 -0.820 3.316 1.00 93.55 C +ATOM 104 C PRO A 17 1.849 -0.625 1.815 1.00 93.92 C +ATOM 105 O PRO A 17 0.849 -0.567 1.105 1.00 93.14 O +ATOM 106 CB PRO A 17 1.893 -2.289 3.711 1.00 91.88 C +ATOM 107 CG PRO A 17 0.501 -2.802 3.728 1.00 90.37 C +ATOM 108 CD PRO A 17 -0.340 -1.668 4.234 1.00 92.54 C +HETATM 109 N HYP A 18 3.101 -0.516 1.337 1.00 91.47 N +HETATM 110 CA HYP A 18 3.307 -0.438 -0.072 1.00 92.65 C +HETATM 111 C HYP A 18 2.798 -1.642 -0.809 1.00 93.86 C +HETATM 112 O HYP A 18 2.773 -2.758 -0.249 1.00 91.48 O +HETATM 113 CB HYP A 18 4.868 -0.389 -0.170 1.00 90.41 C +HETATM 114 CG HYP A 18 5.286 0.241 1.129 1.00 88.45 C +HETATM 115 CD HYP A 18 4.310 -0.386 2.110 1.00 90.88 C +HETATM 116 OD1 HYP A 18 5.076 1.639 1.085 1.00 89.55 O +ATOM 117 N GLY A 19 2.355 -1.429 -2.009 1.00 92.53 N +ATOM 118 CA GLY A 19 1.894 -2.504 -2.835 1.00 92.78 C +ATOM 119 C GLY A 19 3.049 -3.402 -3.245 1.00 93.10 C +ATOM 120 O GLY A 19 4.216 -3.066 -3.040 1.00 93.01 O +ATOM 121 N PRO A 20 2.729 -4.537 -3.828 1.00 89.43 N +ATOM 122 CA PRO A 20 3.769 -5.458 -4.259 1.00 89.56 C +ATOM 123 C PRO A 20 4.509 -4.914 -5.468 1.00 89.51 C +ATOM 124 O PRO A 20 4.052 -3.994 -6.138 1.00 89.47 O +ATOM 125 CB PRO A 20 2.990 -6.728 -4.598 1.00 87.17 C +ATOM 126 CG PRO A 20 1.647 -6.223 -4.990 1.00 84.21 C +ATOM 127 CD PRO A 20 1.393 -5.043 -4.099 1.00 86.19 C +HETATM 128 N HYP A 21 5.690 -5.487 -5.723 1.00 91.55 N +HETATM 129 CA HYP A 21 6.417 -5.107 -6.899 1.00 89.86 C +HETATM 130 C HYP A 21 5.639 -5.240 -8.175 1.00 92.57 C +HETATM 131 O HYP A 21 4.821 -6.157 -8.298 1.00 92.27 O +HETATM 132 CB HYP A 21 7.626 -6.061 -6.893 1.00 88.31 C +HETATM 133 CG HYP A 21 7.824 -6.392 -5.445 1.00 85.47 C +HETATM 134 CD HYP A 21 6.409 -6.469 -4.903 1.00 89.74 C +HETATM 135 OD1 HYP A 21 8.472 -5.308 -4.784 1.00 86.13 O +ATOM 136 N GLY A 22 5.801 -4.303 -9.084 1.00 89.00 N +ATOM 137 CA GLY A 22 5.134 -4.340 -10.349 1.00 87.19 C +ATOM 138 C GLY A 22 5.679 -5.462 -11.217 1.00 86.82 C +ATOM 139 O GLY A 22 6.599 -6.176 -10.820 1.00 86.37 O +ATOM 140 N PRO A 23 5.135 -5.615 -12.414 1.00 90.31 N +ATOM 141 CA PRO A 23 5.593 -6.678 -13.300 1.00 90.09 C +ATOM 142 C PRO A 23 7.019 -6.429 -13.757 1.00 88.92 C +ATOM 143 O PRO A 23 7.509 -5.307 -13.727 1.00 85.24 O +ATOM 144 CB PRO A 23 4.605 -6.626 -14.458 1.00 85.96 C +ATOM 145 CG PRO A 23 4.140 -5.222 -14.459 1.00 83.92 C +ATOM 146 CD PRO A 23 4.079 -4.823 -13.011 1.00 87.27 C +HETATM 147 N HYP A 24 7.687 -7.381 -14.168 1.00 90.96 N +HETATM 148 CA HYP A 24 9.063 -7.217 -14.605 1.00 84.33 C +HETATM 149 C HYP A 24 9.421 -5.874 -15.055 1.00 88.29 C +HETATM 150 O HYP A 24 9.342 -5.583 -16.252 1.00 83.20 O +HETATM 151 CB HYP A 24 9.366 -8.340 -15.522 1.00 86.14 C +HETATM 152 CG HYP A 24 8.280 -9.366 -15.311 1.00 83.90 C +HETATM 153 CD HYP A 24 7.128 -8.607 -14.673 1.00 88.42 C +HETATM 154 OD1 HYP A 24 8.702 -10.328 -14.350 1.00 82.62 O +HETATM 155 OXT HYP A 24 9.841 -5.090 -14.168 1.00 81.43 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_375.txt b/protein_pdb_375.txt new file mode 100644 index 0000000000000000000000000000000000000000..5ba460c0f2d5504b63db1017347a8868f7674229 --- /dev/null +++ b/protein_pdb_375.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 2.636 -15.440 -5.805 1.00 95.00 N +ATOM 2 CA GLY A 1 2.045 -14.408 -6.588 1.00 95.52 C +ATOM 3 C GLY A 1 2.845 -13.113 -6.628 1.00 96.04 C +ATOM 4 O GLY A 1 3.849 -12.973 -5.935 1.00 95.03 O +ATOM 5 N PRO A 2 2.397 -12.191 -7.406 1.00 95.82 N +ATOM 6 CA PRO A 2 3.056 -10.908 -7.559 1.00 96.18 C +ATOM 7 C PRO A 2 2.816 -9.995 -6.360 1.00 96.30 C +ATOM 8 O PRO A 2 1.978 -10.274 -5.513 1.00 95.13 O +ATOM 9 CB PRO A 2 2.420 -10.348 -8.825 1.00 94.84 C +ATOM 10 CG PRO A 2 1.038 -10.912 -8.793 1.00 92.04 C +ATOM 11 CD PRO A 2 1.197 -12.298 -8.236 1.00 94.78 C +HETATM 12 N HYP A 3 3.588 -8.888 -6.334 1.00 94.07 N +HETATM 13 CA HYP A 3 3.378 -7.926 -5.275 1.00 95.56 C +HETATM 14 C HYP A 3 1.957 -7.365 -5.265 1.00 95.48 C +HETATM 15 O HYP A 3 1.339 -7.272 -6.342 1.00 96.50 O +HETATM 16 CB HYP A 3 4.392 -6.786 -5.647 1.00 93.00 C +HETATM 17 CG HYP A 3 5.456 -7.491 -6.426 1.00 91.66 C +HETATM 18 CD HYP A 3 4.665 -8.560 -7.207 1.00 92.59 C +HETATM 19 OD1 HYP A 3 6.332 -8.097 -5.533 1.00 93.02 O +ATOM 20 N GLY A 4 1.484 -7.079 -4.082 1.00 96.42 N +ATOM 21 CA GLY A 4 0.171 -6.510 -3.941 1.00 96.27 C +ATOM 22 C GLY A 4 0.128 -5.088 -4.489 1.00 96.64 C +ATOM 23 O GLY A 4 1.155 -4.508 -4.829 1.00 96.46 O +ATOM 24 N PRO A 5 -1.069 -4.519 -4.574 1.00 96.44 N +ATOM 25 CA PRO A 5 -1.225 -3.165 -5.089 1.00 96.39 C +ATOM 26 C PRO A 5 -0.670 -2.131 -4.124 1.00 96.40 C +ATOM 27 O PRO A 5 -0.513 -2.390 -2.934 1.00 95.75 O +ATOM 28 CB PRO A 5 -2.733 -3.027 -5.264 1.00 95.49 C +ATOM 29 CG PRO A 5 -3.290 -3.936 -4.223 1.00 93.56 C +ATOM 30 CD PRO A 5 -2.342 -5.102 -4.185 1.00 95.62 C +HETATM 31 N HYP A 6 -0.375 -0.933 -4.661 1.00 95.98 N +HETATM 32 CA HYP A 6 0.073 0.150 -3.821 1.00 96.96 C +HETATM 33 C HYP A 6 -0.949 0.524 -2.751 1.00 96.75 C +HETATM 34 O HYP A 6 -2.167 0.365 -2.990 1.00 96.76 O +HETATM 35 CB HYP A 6 0.215 1.330 -4.814 1.00 94.53 C +HETATM 36 CG HYP A 6 0.499 0.650 -6.128 1.00 93.91 C +HETATM 37 CD HYP A 6 -0.373 -0.583 -6.038 1.00 94.87 C +HETATM 38 OD1 HYP A 6 1.851 0.269 -6.153 1.00 93.79 O +ATOM 39 N GLY A 7 -0.457 0.932 -1.634 1.00 96.62 N +ATOM 40 CA GLY A 7 -1.318 1.375 -0.573 1.00 96.76 C +ATOM 41 C GLY A 7 -2.042 2.646 -0.975 1.00 97.13 C +ATOM 42 O GLY A 7 -1.713 3.281 -1.973 1.00 96.93 O +ATOM 43 N PRO A 8 -3.048 3.026 -0.203 1.00 97.44 N +ATOM 44 CA PRO A 8 -3.807 4.232 -0.513 1.00 97.57 C +ATOM 45 C PRO A 8 -2.992 5.492 -0.270 1.00 97.83 C +ATOM 46 O PRO A 8 -2.058 5.507 0.526 1.00 97.02 O +ATOM 47 CB PRO A 8 -5.004 4.148 0.428 1.00 96.78 C +ATOM 48 CG PRO A 8 -4.479 3.378 1.585 1.00 95.12 C +ATOM 49 CD PRO A 8 -3.526 2.366 0.986 1.00 96.93 C +HETATM 50 N HYP A 9 -3.368 6.599 -0.967 1.00 96.37 N +HETATM 51 CA HYP A 9 -2.713 7.828 -0.774 1.00 96.69 C +HETATM 52 C HYP A 9 -2.957 8.369 0.649 1.00 96.95 C +HETATM 53 O HYP A 9 -3.970 8.069 1.270 1.00 96.99 O +HETATM 54 CB HYP A 9 -3.443 8.824 -1.737 1.00 95.18 C +HETATM 55 CG HYP A 9 -4.115 7.975 -2.736 1.00 94.29 C +HETATM 56 CD HYP A 9 -4.418 6.684 -1.995 1.00 95.63 C +HETATM 57 OD1 HYP A 9 -3.182 7.695 -3.747 1.00 94.19 O +ATOM 58 N GLY A 10 -2.049 9.165 1.124 1.00 97.04 N +ATOM 59 CA GLY A 10 -2.291 9.881 2.353 1.00 96.98 C +ATOM 60 C GLY A 10 -3.253 11.024 2.070 1.00 97.00 C +ATOM 61 O GLY A 10 -4.000 10.996 1.088 1.00 96.06 O +ATOM 62 N LYS A 11 -3.234 12.036 2.901 1.00 95.99 N +ATOM 63 CA LYS A 11 -4.073 13.216 2.662 1.00 96.14 C +ATOM 64 C LYS A 11 -3.485 14.013 1.495 1.00 96.42 C +ATOM 65 O LYS A 11 -2.938 15.103 1.676 1.00 94.75 O +ATOM 66 CB LYS A 11 -4.139 14.092 3.918 1.00 94.63 C +ATOM 67 CG LYS A 11 -4.834 13.435 5.085 1.00 90.41 C +ATOM 68 CD LYS A 11 -4.876 14.381 6.273 1.00 86.51 C +ATOM 69 CE LYS A 11 -5.559 13.759 7.469 1.00 82.32 C +ATOM 70 NZ LYS A 11 -5.577 14.690 8.619 1.00 77.10 N +ATOM 71 N GLY A 12 -3.559 13.456 0.301 1.00 96.24 N +ATOM 72 CA GLY A 12 -2.934 14.039 -0.871 1.00 96.75 C +ATOM 73 C GLY A 12 -1.527 13.528 -1.080 1.00 97.25 C +ATOM 74 O GLY A 12 -0.860 13.928 -2.036 1.00 95.50 O +ATOM 75 N GLY A 13 -1.076 12.657 -0.204 1.00 97.23 N +ATOM 76 CA GLY A 13 0.253 12.097 -0.311 1.00 97.01 C +ATOM 77 C GLY A 13 0.331 10.995 -1.346 1.00 97.45 C +ATOM 78 O GLY A 13 -0.674 10.635 -1.961 1.00 96.75 O +ATOM 79 N PRO A 14 1.517 10.448 -1.562 1.00 97.22 N +ATOM 80 CA PRO A 14 1.716 9.407 -2.556 1.00 97.15 C +ATOM 81 C PRO A 14 1.124 8.082 -2.123 1.00 97.44 C +ATOM 82 O PRO A 14 0.879 7.847 -0.942 1.00 96.55 O +ATOM 83 CB PRO A 14 3.230 9.321 -2.697 1.00 96.15 C +ATOM 84 CG PRO A 14 3.724 9.706 -1.336 1.00 94.41 C +ATOM 85 CD PRO A 14 2.763 10.776 -0.878 1.00 95.98 C +HETATM 86 N HYP A 15 0.879 7.229 -3.105 1.00 95.87 N +HETATM 87 CA HYP A 15 0.479 5.893 -2.799 1.00 96.78 C +HETATM 88 C HYP A 15 1.485 5.159 -1.947 1.00 96.87 C +HETATM 89 O HYP A 15 2.694 5.454 -2.049 1.00 96.49 O +HETATM 90 CB HYP A 15 0.418 5.268 -4.228 1.00 94.33 C +HETATM 91 CG HYP A 15 0.149 6.420 -5.161 1.00 93.47 C +HETATM 92 CD HYP A 15 0.938 7.551 -4.533 1.00 95.18 C +HETATM 93 OD1 HYP A 15 -1.214 6.705 -5.190 1.00 93.87 O +ATOM 94 N GLY A 16 1.012 4.264 -1.141 1.00 97.61 N +ATOM 95 CA GLY A 16 1.900 3.439 -0.371 1.00 97.56 C +ATOM 96 C GLY A 16 2.660 2.490 -1.279 1.00 97.62 C +ATOM 97 O GLY A 16 2.373 2.380 -2.471 1.00 97.30 O +ATOM 98 N PRO A 17 3.640 1.791 -0.716 1.00 96.70 N +ATOM 99 CA PRO A 17 4.431 0.853 -1.506 1.00 96.58 C +ATOM 100 C PRO A 17 3.625 -0.379 -1.890 1.00 96.73 C +ATOM 101 O PRO A 17 2.584 -0.661 -1.296 1.00 95.88 O +ATOM 102 CB PRO A 17 5.590 0.509 -0.575 1.00 95.58 C +ATOM 103 CG PRO A 17 5.010 0.680 0.785 1.00 93.60 C +ATOM 104 CD PRO A 17 4.069 1.841 0.667 1.00 95.34 C +HETATM 105 N HYP A 18 4.121 -1.109 -2.918 1.00 95.16 N +HETATM 106 CA HYP A 18 3.498 -2.334 -3.260 1.00 95.79 C +HETATM 107 C HYP A 18 3.442 -3.311 -2.130 1.00 95.86 C +HETATM 108 O HYP A 18 4.368 -3.308 -1.287 1.00 95.78 O +HETATM 109 CB HYP A 18 4.386 -2.876 -4.417 1.00 93.52 C +HETATM 110 CG HYP A 18 4.971 -1.643 -5.027 1.00 92.67 C +HETATM 111 CD HYP A 18 5.189 -0.755 -3.808 1.00 94.78 C +HETATM 112 OD1 HYP A 18 4.017 -1.047 -5.883 1.00 92.99 O +ATOM 113 N GLY A 19 2.415 -4.083 -2.070 1.00 96.21 N +ATOM 114 CA GLY A 19 2.294 -5.092 -1.058 1.00 96.47 C +ATOM 115 C GLY A 19 3.334 -6.183 -1.253 1.00 96.83 C +ATOM 116 O GLY A 19 4.038 -6.217 -2.261 1.00 96.57 O +ATOM 117 N PRO A 20 3.433 -7.086 -0.287 1.00 96.01 N +ATOM 118 CA PRO A 20 4.388 -8.177 -0.383 1.00 95.98 C +ATOM 119 C PRO A 20 3.981 -9.166 -1.464 1.00 96.33 C +ATOM 120 O PRO A 20 2.829 -9.178 -1.905 1.00 95.60 O +ATOM 121 CB PRO A 20 4.339 -8.805 1.002 1.00 94.83 C +ATOM 122 CG PRO A 20 2.950 -8.524 1.466 1.00 92.45 C +ATOM 123 CD PRO A 20 2.634 -7.158 0.919 1.00 94.88 C +HETATM 124 N HYP A 21 4.960 -9.984 -1.915 1.00 93.88 N +HETATM 125 CA HYP A 21 4.631 -11.021 -2.835 1.00 95.65 C +HETATM 126 C HYP A 21 3.518 -11.930 -2.349 1.00 95.19 C +HETATM 127 O HYP A 21 3.496 -12.218 -1.151 1.00 95.87 O +HETATM 128 CB HYP A 21 5.925 -11.807 -3.041 1.00 93.05 C +HETATM 129 CG HYP A 21 6.992 -10.813 -2.724 1.00 92.06 C +HETATM 130 CD HYP A 21 6.382 -9.974 -1.604 1.00 94.17 C +HETATM 131 OD1 HYP A 21 7.224 -10.003 -3.858 1.00 91.77 O +ATOM 132 N GLY A 22 2.628 -12.272 -3.233 1.00 95.74 N +ATOM 133 CA GLY A 22 1.565 -13.167 -2.882 1.00 95.06 C +ATOM 134 C GLY A 22 2.113 -14.561 -2.621 1.00 95.64 C +ATOM 135 O GLY A 22 3.268 -14.853 -2.936 1.00 94.96 O +ATOM 136 N PRO A 23 1.298 -15.458 -2.069 1.00 96.34 N +ATOM 137 CA PRO A 23 1.733 -16.824 -1.825 1.00 96.06 C +ATOM 138 C PRO A 23 1.859 -17.572 -3.139 1.00 95.74 C +ATOM 139 O PRO A 23 0.858 -17.853 -3.794 1.00 93.78 O +ATOM 140 CB PRO A 23 0.636 -17.392 -0.937 1.00 94.70 C +ATOM 141 CG PRO A 23 -0.572 -16.598 -1.305 1.00 92.39 C +ATOM 142 CD PRO A 23 -0.055 -15.219 -1.636 1.00 95.15 C +HETATM 143 N HYP A 24 3.005 -17.760 -3.644 1.00 95.46 N +HETATM 144 CA HYP A 24 3.371 -17.948 -5.043 1.00 94.03 C +HETATM 145 C HYP A 24 2.872 -17.171 -6.066 1.00 95.26 C +HETATM 146 O HYP A 24 3.412 -17.031 -7.246 1.00 94.43 O +HETATM 147 CB HYP A 24 4.161 -19.175 -5.193 1.00 91.67 C +HETATM 148 CG HYP A 24 4.216 -19.767 -3.781 1.00 90.94 C +HETATM 149 CD HYP A 24 3.301 -18.898 -2.898 1.00 92.77 C +HETATM 150 OD1 HYP A 24 5.516 -19.665 -3.252 1.00 92.92 O +HETATM 151 OXT HYP A 24 1.622 -17.207 -6.349 1.00 90.95 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_376.txt b/protein_pdb_376.txt new file mode 100644 index 0000000000000000000000000000000000000000..5230f6492655023d8e43bd4cd1140195116611a6 --- /dev/null +++ b/protein_pdb_376.txt @@ -0,0 +1,149 @@ +ATOM 1 N GLY A 1 1.361 -14.494 33.246 1.00 85.20 N +ATOM 2 CA GLY A 1 1.236 -13.040 33.283 1.00 87.81 C +ATOM 3 C GLY A 1 0.036 -12.554 32.499 1.00 88.91 C +ATOM 4 O GLY A 1 -0.657 -13.352 31.859 1.00 86.19 O +ATOM 5 N PRO A 2 -0.223 -11.253 32.489 1.00 87.33 N +ATOM 6 CA PRO A 2 -1.357 -10.702 31.748 1.00 91.45 C +ATOM 7 C PRO A 2 -1.139 -10.793 30.241 1.00 92.01 C +ATOM 8 O PRO A 2 -0.010 -10.896 29.768 1.00 88.06 O +ATOM 9 CB PRO A 2 -1.416 -9.243 32.209 1.00 86.30 C +ATOM 10 CG PRO A 2 -0.003 -8.938 32.571 1.00 82.00 C +ATOM 11 CD PRO A 2 0.539 -10.209 33.169 1.00 83.26 C +HETATM 12 N HYP A 3 -2.201 -10.796 29.559 1.00 90.78 N +HETATM 13 CA HYP A 3 -2.163 -10.753 28.064 1.00 90.17 C +HETATM 14 C HYP A 3 -1.476 -9.563 27.531 1.00 91.79 C +HETATM 15 O HYP A 3 -1.579 -8.469 28.098 1.00 90.25 O +HETATM 16 CB HYP A 3 -3.653 -10.776 27.689 1.00 88.65 C +HETATM 17 CG HYP A 3 -4.392 -11.328 28.917 1.00 89.17 C +HETATM 18 CD HYP A 3 -3.554 -10.796 30.096 1.00 90.31 C +HETATM 19 OD1 HYP A 3 -4.362 -12.725 28.932 1.00 88.78 O +ATOM 20 N GLY A 4 -0.733 -9.706 26.401 1.00 91.62 N +ATOM 21 CA GLY A 4 -0.053 -8.588 25.773 1.00 90.49 C +ATOM 22 C GLY A 4 -1.049 -7.605 25.178 1.00 90.30 C +ATOM 23 O GLY A 4 -2.221 -7.928 24.968 1.00 89.68 O +ATOM 24 N ILE A 5 -0.571 -6.395 24.904 1.00 92.69 N +ATOM 25 CA ILE A 5 -1.425 -5.379 24.293 1.00 91.99 C +ATOM 26 C ILE A 5 -1.494 -5.603 22.784 1.00 91.59 C +ATOM 27 O ILE A 5 -0.642 -6.272 22.196 1.00 89.54 O +ATOM 28 CB ILE A 5 -0.923 -3.958 24.604 1.00 89.33 C +ATOM 29 CG1 ILE A 5 0.476 -3.744 24.031 1.00 84.69 C +ATOM 30 CG2 ILE A 5 -0.934 -3.719 26.107 1.00 81.55 C +ATOM 31 CD1 ILE A 5 0.916 -2.291 24.061 1.00 76.68 C +ATOM 32 N ALA A 6 -2.524 -5.027 22.147 1.00 92.08 N +ATOM 33 CA ALA A 6 -2.694 -5.166 20.709 1.00 91.80 C +ATOM 34 C ALA A 6 -1.506 -4.548 19.977 1.00 91.78 C +ATOM 35 O ALA A 6 -0.940 -3.545 20.412 1.00 88.17 O +ATOM 36 CB ALA A 6 -3.992 -4.500 20.258 1.00 87.78 C +ATOM 37 N GLY A 7 -1.128 -5.156 18.872 1.00 94.36 N +ATOM 38 CA GLY A 7 -0.027 -4.647 18.073 1.00 93.86 C +ATOM 39 C GLY A 7 -0.402 -3.384 17.326 1.00 94.12 C +ATOM 40 O GLY A 7 -1.552 -2.944 17.354 1.00 94.43 O +ATOM 41 N PRO A 8 0.564 -2.791 16.630 1.00 94.76 N +ATOM 42 CA PRO A 8 0.304 -1.563 15.885 1.00 94.70 C +ATOM 43 C PRO A 8 -0.540 -1.818 14.643 1.00 95.16 C +ATOM 44 O PRO A 8 -0.662 -2.953 14.173 1.00 93.06 O +ATOM 45 CB PRO A 8 1.706 -1.069 15.510 1.00 92.73 C +ATOM 46 CG PRO A 8 2.492 -2.324 15.395 1.00 91.85 C +ATOM 47 CD PRO A 8 1.961 -3.226 16.487 1.00 93.83 C +ATOM 48 N ALA A 9 -1.120 -0.753 14.101 1.00 94.39 N +ATOM 49 CA ALA A 9 -1.877 -0.856 12.868 1.00 94.74 C +ATOM 50 C ALA A 9 -0.955 -1.317 11.743 1.00 94.97 C +ATOM 51 O ALA A 9 0.248 -1.032 11.747 1.00 92.03 O +ATOM 52 CB ALA A 9 -2.498 0.493 12.514 1.00 92.39 C +ATOM 53 N GLY A 10 -1.521 -2.031 10.779 1.00 96.95 N +ATOM 54 CA GLY A 10 -0.743 -2.515 9.654 1.00 96.55 C +ATOM 55 C GLY A 10 -0.312 -1.407 8.715 1.00 96.84 C +ATOM 56 O GLY A 10 -0.700 -0.247 8.885 1.00 96.78 O +ATOM 57 N PRO A 11 0.490 -1.753 7.707 1.00 96.93 N +ATOM 58 CA PRO A 11 0.988 -0.752 6.752 1.00 96.69 C +ATOM 59 C PRO A 11 -0.118 -0.262 5.826 1.00 96.92 C +ATOM 60 O PRO A 11 -1.152 -0.894 5.684 1.00 95.95 O +ATOM 61 CB PRO A 11 2.062 -1.513 5.975 1.00 95.30 C +ATOM 62 CG PRO A 11 1.612 -2.922 6.037 1.00 94.17 C +ATOM 63 CD PRO A 11 1.000 -3.088 7.403 1.00 96.01 C +HETATM 64 N HYP A 12 0.105 0.865 5.184 1.00 96.86 N +HETATM 65 CA HYP A 12 -0.781 1.403 4.172 1.00 96.57 C +HETATM 66 C HYP A 12 -0.990 0.462 3.031 1.00 96.75 C +HETATM 67 O HYP A 12 -0.081 -0.336 2.707 1.00 95.69 O +HETATM 68 CB HYP A 12 0.009 2.678 3.699 1.00 95.14 C +HETATM 69 CG HYP A 12 0.868 3.026 4.889 1.00 93.59 C +HETATM 70 CD HYP A 12 1.236 1.721 5.457 1.00 95.08 C +HETATM 71 OD1 HYP A 12 0.143 3.771 5.850 1.00 92.84 O +ATOM 72 N GLY A 13 -2.165 0.483 2.430 1.00 97.21 N +ATOM 73 CA GLY A 13 -2.448 -0.357 1.290 1.00 97.08 C +ATOM 74 C GLY A 13 -1.659 0.078 0.066 1.00 97.34 C +ATOM 75 O GLY A 13 -0.928 1.075 0.096 1.00 97.12 O +ATOM 76 N PRO A 14 -1.808 -0.684 -1.044 1.00 96.53 N +ATOM 77 CA PRO A 14 -1.082 -0.364 -2.272 1.00 96.39 C +ATOM 78 C PRO A 14 -1.620 0.903 -2.928 1.00 96.61 C +ATOM 79 O PRO A 14 -2.752 1.316 -2.681 1.00 96.02 O +ATOM 80 CB PRO A 14 -1.324 -1.583 -3.150 1.00 94.97 C +ATOM 81 CG PRO A 14 -2.627 -2.113 -2.673 1.00 94.13 C +ATOM 82 CD PRO A 14 -2.638 -1.874 -1.189 1.00 96.10 C +HETATM 83 N HYP A 15 -0.826 1.497 -3.762 1.00 96.78 N +HETATM 84 CA HYP A 15 -1.237 2.659 -4.558 1.00 95.78 C +HETATM 85 C HYP A 15 -2.402 2.327 -5.483 1.00 96.28 C +HETATM 86 O HYP A 15 -2.511 1.199 -5.986 1.00 95.35 O +HETATM 87 CB HYP A 15 0.038 2.924 -5.416 1.00 94.31 C +HETATM 88 CG HYP A 15 1.168 2.377 -4.589 1.00 93.88 C +HETATM 89 CD HYP A 15 0.584 1.151 -3.943 1.00 95.04 C +HETATM 90 OD1 HYP A 15 1.564 3.281 -3.583 1.00 92.90 O +ATOM 91 N GLY A 16 -3.281 3.315 -5.678 1.00 96.12 N +ATOM 92 CA GLY A 16 -4.382 3.138 -6.583 1.00 95.95 C +ATOM 93 C GLY A 16 -3.899 3.089 -8.027 1.00 96.34 C +ATOM 94 O GLY A 16 -2.717 3.302 -8.309 1.00 96.18 O +ATOM 95 N PRO A 17 -4.832 2.802 -8.969 1.00 95.82 N +ATOM 96 CA PRO A 17 -4.462 2.715 -10.377 1.00 95.59 C +ATOM 97 C PRO A 17 -4.129 4.082 -10.963 1.00 95.70 C +ATOM 98 O PRO A 17 -4.567 5.109 -10.449 1.00 94.39 O +ATOM 99 CB PRO A 17 -5.702 2.113 -11.029 1.00 93.96 C +ATOM 100 CG PRO A 17 -6.811 2.554 -10.136 1.00 93.20 C +ATOM 101 CD PRO A 17 -6.243 2.527 -8.742 1.00 95.35 C +HETATM 102 N HYP A 18 -3.378 4.077 -12.028 1.00 95.79 N +HETATM 103 CA HYP A 18 -3.064 5.312 -12.759 1.00 95.08 C +HETATM 104 C HYP A 18 -4.318 5.957 -13.330 1.00 95.79 C +HETATM 105 O HYP A 18 -5.288 5.270 -13.654 1.00 94.41 O +HETATM 106 CB HYP A 18 -2.228 4.760 -13.944 1.00 93.58 C +HETATM 107 CG HYP A 18 -1.607 3.474 -13.441 1.00 92.01 C +HETATM 108 CD HYP A 18 -2.692 2.897 -12.553 1.00 94.29 C +HETATM 109 OD1 HYP A 18 -0.467 3.721 -12.650 1.00 90.73 O +ATOM 110 N GLY A 19 -4.338 7.282 -13.378 1.00 93.92 N +ATOM 111 CA GLY A 19 -5.448 7.992 -13.953 1.00 93.96 C +ATOM 112 C GLY A 19 -5.527 7.758 -15.454 1.00 94.64 C +ATOM 113 O GLY A 19 -4.629 7.152 -16.050 1.00 94.69 O +ATOM 114 N PRO A 20 -6.605 8.242 -16.104 1.00 94.30 N +ATOM 115 CA PRO A 20 -6.761 8.050 -17.540 1.00 94.09 C +ATOM 116 C PRO A 20 -5.735 8.868 -18.322 1.00 94.23 C +ATOM 117 O PRO A 20 -5.243 9.889 -17.845 1.00 92.27 O +ATOM 118 CB PRO A 20 -8.183 8.522 -17.810 1.00 91.77 C +ATOM 119 CG PRO A 20 -8.453 9.490 -16.713 1.00 90.73 C +ATOM 120 CD PRO A 20 -7.724 8.957 -15.510 1.00 93.44 C +HETATM 121 N HYP A 21 -5.423 8.428 -19.554 1.00 93.18 N +HETATM 122 CA HYP A 21 -4.505 9.137 -20.399 1.00 93.75 C +HETATM 123 C HYP A 21 -5.042 10.488 -20.798 1.00 92.55 C +HETATM 124 O HYP A 21 -6.255 10.672 -20.932 1.00 91.83 O +HETATM 125 CB HYP A 21 -4.491 8.222 -21.691 1.00 91.20 C +HETATM 126 CG HYP A 21 -4.859 6.843 -21.201 1.00 88.74 C +HETATM 127 CD HYP A 21 -5.851 7.123 -20.101 1.00 91.59 C +HETATM 128 OD1 HYP A 21 -3.746 6.176 -20.645 1.00 89.02 O +ATOM 129 N GLY A 22 -4.142 11.491 -20.902 1.00 92.73 N +ATOM 130 CA GLY A 22 -4.547 12.809 -21.320 1.00 91.85 C +ATOM 131 C GLY A 22 -4.978 12.812 -22.777 1.00 91.51 C +ATOM 132 O GLY A 22 -4.773 11.842 -23.506 1.00 90.55 O +ATOM 133 N PRO A 23 -5.573 13.932 -23.266 1.00 92.98 N +ATOM 134 CA PRO A 23 -6.006 14.005 -24.659 1.00 92.87 C +ATOM 135 C PRO A 23 -4.805 14.104 -25.602 1.00 92.30 C +ATOM 136 O PRO A 23 -3.718 14.526 -25.198 1.00 88.44 O +ATOM 137 CB PRO A 23 -6.861 15.269 -24.702 1.00 89.27 C +ATOM 138 CG PRO A 23 -6.260 16.123 -23.636 1.00 86.04 C +ATOM 139 CD PRO A 23 -5.860 15.161 -22.540 1.00 88.60 C +ATOM 140 N PRO A 24 -4.989 13.712 -26.882 1.00 93.39 N +ATOM 141 CA PRO A 24 -3.890 13.828 -27.842 1.00 92.40 C +ATOM 142 C PRO A 24 -3.519 15.300 -28.083 1.00 89.88 C +ATOM 143 O PRO A 24 -4.329 16.189 -27.819 1.00 85.06 O +ATOM 144 CB PRO A 24 -4.453 13.194 -29.120 1.00 86.40 C +ATOM 145 CG PRO A 24 -5.580 12.343 -28.652 1.00 85.56 C +ATOM 146 CD PRO A 24 -6.152 13.064 -27.474 1.00 87.68 C +ATOM 147 OXT PRO A 24 -2.390 15.572 -28.546 1.00 77.38 O +TER 148 PRO A 24 +END diff --git a/protein_pdb_377.txt b/protein_pdb_377.txt new file mode 100644 index 0000000000000000000000000000000000000000..85f1eaadb8dc559e66454bd805b5a0f260efc80e --- /dev/null +++ b/protein_pdb_377.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 -25.427 4.572 22.365 1.00 85.50 N +ATOM 2 CA GLY A 1 -25.235 5.603 21.346 1.00 88.13 C +ATOM 3 C GLY A 1 -24.987 5.012 19.980 1.00 88.12 C +ATOM 4 O GLY A 1 -24.819 3.798 19.852 1.00 85.48 O +ATOM 5 N PRO A 2 -24.948 5.826 18.938 1.00 91.82 N +ATOM 6 CA PRO A 2 -24.717 5.335 17.577 1.00 93.38 C +ATOM 7 C PRO A 2 -23.273 4.873 17.388 1.00 93.34 C +ATOM 8 O PRO A 2 -22.382 5.268 18.129 1.00 91.97 O +ATOM 9 CB PRO A 2 -25.038 6.544 16.699 1.00 91.43 C +ATOM 10 CG PRO A 2 -24.703 7.700 17.570 1.00 87.80 C +ATOM 11 CD PRO A 2 -25.122 7.275 18.959 1.00 89.69 C +HETATM 12 N HYP A 3 -23.083 4.051 16.468 1.00 94.26 N +HETATM 13 CA HYP A 3 -21.706 3.594 16.079 1.00 89.85 C +HETATM 14 C HYP A 3 -20.820 4.763 15.692 1.00 94.18 C +HETATM 15 O HYP A 3 -21.288 5.781 15.168 1.00 91.29 O +HETATM 16 CB HYP A 3 -21.976 2.697 14.886 1.00 91.59 C +HETATM 17 CG HYP A 3 -23.414 2.224 15.017 1.00 90.66 C +HETATM 18 CD HYP A 3 -24.112 3.453 15.624 1.00 93.20 C +HETATM 19 OD1 HYP A 3 -23.540 1.137 15.870 1.00 90.98 O +ATOM 20 N GLY A 4 -19.518 4.662 15.944 1.00 93.92 N +ATOM 21 CA GLY A 4 -18.587 5.702 15.593 1.00 93.29 C +ATOM 22 C GLY A 4 -18.376 5.772 14.085 1.00 93.21 C +ATOM 23 O GLY A 4 -18.814 4.887 13.345 1.00 93.04 O +ATOM 24 N PRO A 5 -17.704 6.814 13.619 1.00 94.22 N +ATOM 25 CA PRO A 5 -17.461 6.970 12.181 1.00 94.48 C +ATOM 26 C PRO A 5 -16.476 5.927 11.673 1.00 94.63 C +ATOM 27 O PRO A 5 -15.689 5.373 12.442 1.00 94.11 O +ATOM 28 CB PRO A 5 -16.903 8.384 12.059 1.00 92.99 C +ATOM 29 CG PRO A 5 -16.241 8.606 13.377 1.00 90.63 C +ATOM 30 CD PRO A 5 -17.134 7.909 14.382 1.00 92.35 C +HETATM 31 N HYP A 6 -16.547 5.659 10.408 1.00 94.68 N +HETATM 32 CA HYP A 6 -15.529 4.766 9.772 1.00 93.25 C +HETATM 33 C HYP A 6 -14.138 5.243 9.944 1.00 93.38 C +HETATM 34 O HYP A 6 -13.876 6.477 9.974 1.00 91.64 O +HETATM 35 CB HYP A 6 -15.978 4.787 8.296 1.00 89.50 C +HETATM 36 CG HYP A 6 -17.447 5.118 8.311 1.00 89.36 C +HETATM 37 CD HYP A 6 -17.551 6.059 9.489 1.00 91.28 C +HETATM 38 OD1 HYP A 6 -18.241 3.978 8.530 1.00 89.57 O +ATOM 39 N GLY A 7 -13.171 4.317 10.109 1.00 94.81 N +ATOM 40 CA GLY A 7 -11.783 4.659 10.292 1.00 94.06 C +ATOM 41 C GLY A 7 -11.182 5.221 9.016 1.00 94.23 C +ATOM 42 O GLY A 7 -11.804 5.189 7.947 1.00 93.81 O +ATOM 43 N PRO A 8 -9.958 5.736 9.106 1.00 94.71 N +ATOM 44 CA PRO A 8 -9.301 6.291 7.930 1.00 94.75 C +ATOM 45 C PRO A 8 -8.918 5.192 6.941 1.00 94.81 C +ATOM 46 O PRO A 8 -8.778 4.033 7.315 1.00 94.03 O +ATOM 47 CB PRO A 8 -8.076 6.986 8.508 1.00 93.61 C +ATOM 48 CG PRO A 8 -7.781 6.196 9.738 1.00 92.87 C +ATOM 49 CD PRO A 8 -9.130 5.828 10.293 1.00 94.24 C +HETATM 50 N HYP A 9 -8.722 5.530 5.725 1.00 93.35 N +HETATM 51 CA HYP A 9 -8.259 4.607 4.695 1.00 92.27 C +HETATM 52 C HYP A 9 -6.931 4.023 5.029 1.00 94.07 C +HETATM 53 O HYP A 9 -6.088 4.688 5.656 1.00 88.88 O +HETATM 54 CB HYP A 9 -8.155 5.511 3.436 1.00 92.00 C +HETATM 55 CG HYP A 9 -9.140 6.592 3.691 1.00 91.87 C +HETATM 56 CD HYP A 9 -9.066 6.780 5.171 1.00 92.32 C +HETATM 57 OD1 HYP A 9 -10.443 6.166 3.324 1.00 87.42 O +ATOM 58 N GLY A 10 -6.668 2.794 4.608 1.00 93.01 N +ATOM 59 CA GLY A 10 -5.393 2.149 4.825 1.00 91.47 C +ATOM 60 C GLY A 10 -4.305 2.833 4.017 1.00 91.61 C +ATOM 61 O GLY A 10 -4.573 3.563 3.062 1.00 91.18 O +ATOM 62 N TYR A 11 -3.040 2.585 4.417 1.00 91.25 N +ATOM 63 CA TYR A 11 -1.905 3.189 3.725 1.00 90.34 C +ATOM 64 C TYR A 11 -1.634 2.477 2.404 1.00 89.53 C +ATOM 65 O TYR A 11 -1.951 1.299 2.227 1.00 88.54 O +ATOM 66 CB TYR A 11 -0.659 3.160 4.611 1.00 89.28 C +ATOM 67 CG TYR A 11 -0.232 1.782 5.034 1.00 85.05 C +ATOM 68 CD1 TYR A 11 -0.738 1.205 6.196 1.00 83.62 C +ATOM 69 CD2 TYR A 11 0.681 1.040 4.292 1.00 81.67 C +ATOM 70 CE1 TYR A 11 -0.361 -0.064 6.598 1.00 79.70 C +ATOM 71 CE2 TYR A 11 1.071 -0.232 4.685 1.00 79.98 C +ATOM 72 CZ TYR A 11 0.546 -0.778 5.839 1.00 80.51 C +ATOM 73 OH TYR A 11 0.923 -2.044 6.232 1.00 80.96 O +ATOM 74 N VAL A 12 -1.034 3.216 1.454 1.00 88.96 N +ATOM 75 CA VAL A 12 -0.658 2.633 0.174 1.00 88.69 C +ATOM 76 C VAL A 12 0.539 1.722 0.431 1.00 88.44 C +ATOM 77 O VAL A 12 1.449 2.078 1.179 1.00 85.33 O +ATOM 78 CB VAL A 12 -0.281 3.735 -0.845 1.00 85.51 C +ATOM 79 CG1 VAL A 12 0.211 3.121 -2.152 1.00 79.79 C +ATOM 80 CG2 VAL A 12 -1.486 4.626 -1.113 1.00 78.66 C +ATOM 81 N GLY A 13 0.511 0.544 -0.190 1.00 90.58 N +ATOM 82 CA GLY A 13 1.573 -0.424 0.011 1.00 89.32 C +ATOM 83 C GLY A 13 2.934 0.071 -0.437 1.00 89.83 C +ATOM 84 O GLY A 13 3.055 1.098 -1.108 1.00 90.40 O +ATOM 85 N PRO A 14 3.999 -0.664 -0.079 1.00 92.64 N +ATOM 86 CA PRO A 14 5.353 -0.263 -0.441 1.00 92.98 C +ATOM 87 C PRO A 14 5.590 -0.389 -1.943 1.00 93.10 C +ATOM 88 O PRO A 14 4.877 -1.114 -2.631 1.00 92.49 O +ATOM 89 CB PRO A 14 6.238 -1.236 0.341 1.00 91.46 C +ATOM 90 CG PRO A 14 5.386 -2.445 0.480 1.00 90.42 C +ATOM 91 CD PRO A 14 3.987 -1.908 0.679 1.00 91.82 C +HETATM 92 N HYP A 15 6.598 0.297 -2.432 1.00 87.08 N +HETATM 93 CA HYP A 15 6.996 0.211 -3.840 1.00 84.57 C +HETATM 94 C HYP A 15 7.345 -1.222 -4.241 1.00 91.18 C +HETATM 95 O HYP A 15 7.792 -2.009 -3.402 1.00 79.43 O +HETATM 96 CB HYP A 15 8.238 1.092 -3.844 1.00 87.72 C +HETATM 97 CG HYP A 15 8.037 2.054 -2.690 1.00 82.56 C +HETATM 98 CD HYP A 15 7.348 1.210 -1.682 1.00 85.57 C +HETATM 99 OD1 HYP A 15 7.214 3.132 -3.055 1.00 86.55 O +ATOM 100 N GLY A 16 7.103 -1.555 -5.466 1.00 92.01 N +ATOM 101 CA GLY A 16 7.469 -2.854 -5.955 1.00 90.47 C +ATOM 102 C GLY A 16 8.978 -3.002 -6.027 1.00 90.70 C +ATOM 103 O GLY A 16 9.721 -2.041 -5.819 1.00 90.88 O +ATOM 104 N PRO A 17 9.456 -4.221 -6.329 1.00 88.81 N +ATOM 105 CA PRO A 17 10.895 -4.449 -6.410 1.00 89.88 C +ATOM 106 C PRO A 17 11.509 -3.707 -7.582 1.00 89.81 C +ATOM 107 O PRO A 17 10.846 -3.419 -8.570 1.00 90.10 O +ATOM 108 CB PRO A 17 11.011 -5.964 -6.565 1.00 88.31 C +ATOM 109 CG PRO A 17 9.729 -6.348 -7.206 1.00 85.91 C +ATOM 110 CD PRO A 17 8.693 -5.431 -6.600 1.00 86.66 C +HETATM 111 N HYP A 18 12.787 -3.411 -7.508 1.00 90.07 N +HETATM 112 CA HYP A 18 13.508 -2.779 -8.605 1.00 88.85 C +HETATM 113 C HYP A 18 13.504 -3.622 -9.866 1.00 89.78 C +HETATM 114 O HYP A 18 13.462 -4.870 -9.801 1.00 87.73 O +HETATM 115 CB HYP A 18 14.907 -2.675 -8.037 1.00 88.05 C +HETATM 116 CG HYP A 18 14.769 -2.670 -6.544 1.00 83.41 C +HETATM 117 CD HYP A 18 13.588 -3.567 -6.335 1.00 89.42 C +HETATM 118 OD1 HYP A 18 14.479 -1.375 -6.053 1.00 88.75 O +ATOM 119 N GLY A 19 13.481 -2.990 -11.017 1.00 91.62 N +ATOM 120 CA GLY A 19 13.524 -3.680 -12.276 1.00 90.85 C +ATOM 121 C GLY A 19 14.902 -4.282 -12.508 1.00 91.32 C +ATOM 122 O GLY A 19 15.846 -3.996 -11.772 1.00 91.42 O +ATOM 123 N PRO A 20 15.041 -5.115 -13.533 1.00 89.20 N +ATOM 124 CA PRO A 20 16.330 -5.739 -13.819 1.00 89.29 C +ATOM 125 C PRO A 20 17.318 -4.718 -14.368 1.00 89.32 C +ATOM 126 O PRO A 20 16.934 -3.687 -14.900 1.00 88.38 O +ATOM 127 CB PRO A 20 15.973 -6.805 -14.855 1.00 86.83 C +ATOM 128 CG PRO A 20 14.781 -6.244 -15.538 1.00 84.06 C +ATOM 129 CD PRO A 20 14.000 -5.535 -14.454 1.00 85.94 C +HETATM 130 N HYP A 21 18.612 -4.989 -14.236 1.00 92.95 N +HETATM 131 CA HYP A 21 19.653 -4.140 -14.814 1.00 89.78 C +HETATM 132 C HYP A 21 19.553 -3.991 -16.316 1.00 92.79 C +HETATM 133 O HYP A 21 19.109 -4.930 -16.996 1.00 90.91 O +HETATM 134 CB HYP A 21 20.940 -4.921 -14.446 1.00 90.37 C +HETATM 135 CG HYP A 21 20.608 -5.723 -13.218 1.00 88.43 C +HETATM 136 CD HYP A 21 19.158 -6.082 -13.437 1.00 90.96 C +HETATM 137 OD1 HYP A 21 20.718 -4.938 -12.035 1.00 89.51 O +ATOM 138 N GLY A 22 19.862 -2.834 -16.871 1.00 89.62 N +ATOM 139 CA GLY A 22 19.810 -2.592 -18.282 1.00 89.05 C +ATOM 140 C GLY A 22 20.869 -3.402 -19.013 1.00 89.00 C +ATOM 141 O GLY A 22 21.749 -3.993 -18.388 1.00 88.14 O +ATOM 142 N PRO A 23 20.842 -3.421 -20.348 1.00 90.24 N +ATOM 143 CA PRO A 23 21.825 -4.177 -21.116 1.00 90.75 C +ATOM 144 C PRO A 23 23.190 -3.524 -21.032 1.00 89.94 C +ATOM 145 O PRO A 23 23.308 -2.316 -20.819 1.00 87.02 O +ATOM 146 CB PRO A 23 21.263 -4.156 -22.534 1.00 87.39 C +ATOM 147 CG PRO A 23 20.482 -2.894 -22.579 1.00 84.60 C +ATOM 148 CD PRO A 23 19.866 -2.766 -21.205 1.00 87.42 C +HETATM 149 N HYP A 24 24.273 -4.235 -21.254 1.00 91.65 N +HETATM 150 CA HYP A 24 25.596 -3.628 -21.166 1.00 88.44 C +HETATM 151 C HYP A 24 25.768 -2.611 -22.275 1.00 91.38 C +HETATM 152 O HYP A 24 26.530 -1.693 -22.116 1.00 89.53 O +HETATM 153 CB HYP A 24 26.573 -4.810 -21.443 1.00 90.90 C +HETATM 154 CG HYP A 24 25.827 -6.056 -21.206 1.00 89.35 C +HETATM 155 CD HYP A 24 24.360 -5.683 -21.443 1.00 91.11 C +HETATM 156 OD1 HYP A 24 25.984 -6.438 -19.852 1.00 83.96 O +HETATM 157 OXT HYP A 24 25.156 -2.780 -23.349 1.00 83.49 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_378.txt b/protein_pdb_378.txt new file mode 100644 index 0000000000000000000000000000000000000000..2fff0bd59962f3508b130bafd28d052b129aea69 --- /dev/null +++ b/protein_pdb_378.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -6.311 15.146 -0.468 1.00 91.14 N +ATOM 2 CA GLY A 1 -6.695 13.971 -1.163 1.00 91.94 C +ATOM 3 C GLY A 1 -7.028 12.805 -0.256 1.00 92.52 C +ATOM 4 O GLY A 1 -6.714 12.830 0.933 1.00 90.92 O +ATOM 5 N PRO A 2 -7.622 11.799 -0.799 1.00 90.43 N +ATOM 6 CA PRO A 2 -8.011 10.631 -0.018 1.00 90.99 C +ATOM 7 C PRO A 2 -6.823 9.734 0.276 1.00 90.51 C +ATOM 8 O PRO A 2 -5.776 9.833 -0.354 1.00 88.75 O +ATOM 9 CB PRO A 2 -9.030 9.951 -0.925 1.00 87.70 C +ATOM 10 CG PRO A 2 -8.551 10.293 -2.288 1.00 84.60 C +ATOM 11 CD PRO A 2 -8.076 11.717 -2.177 1.00 87.56 C +HETATM 12 N HYP A 3 -7.022 8.836 1.253 1.00 90.65 N +HETATM 13 CA HYP A 3 -5.972 7.882 1.554 1.00 88.25 C +HETATM 14 C HYP A 3 -5.712 6.940 0.369 1.00 90.99 C +HETATM 15 O HYP A 3 -6.636 6.688 -0.432 1.00 92.75 O +HETATM 16 CB HYP A 3 -6.649 7.040 2.721 1.00 87.74 C +HETATM 17 CG HYP A 3 -7.597 8.033 3.372 1.00 84.53 C +HETATM 18 CD HYP A 3 -8.138 8.832 2.150 1.00 89.34 C +HETATM 19 OD1 HYP A 3 -6.855 8.875 4.192 1.00 87.95 O +ATOM 20 N GLY A 4 -4.495 6.535 0.238 1.00 92.30 N +ATOM 21 CA GLY A 4 -4.129 5.642 -0.820 1.00 91.68 C +ATOM 22 C GLY A 4 -4.721 4.261 -0.594 1.00 92.41 C +ATOM 23 O GLY A 4 -5.279 3.977 0.464 1.00 92.50 O +ATOM 24 N PRO A 5 -4.594 3.381 -1.590 1.00 91.70 N +ATOM 25 CA PRO A 5 -5.135 2.034 -1.468 1.00 91.56 C +ATOM 26 C PRO A 5 -4.313 1.184 -0.519 1.00 91.24 C +ATOM 27 O PRO A 5 -3.168 1.499 -0.210 1.00 90.05 O +ATOM 28 CB PRO A 5 -5.075 1.507 -2.900 1.00 89.70 C +ATOM 29 CG PRO A 5 -3.890 2.215 -3.475 1.00 87.90 C +ATOM 30 CD PRO A 5 -3.955 3.598 -2.886 1.00 90.66 C +HETATM 31 N HYP A 6 -4.942 0.100 -0.052 1.00 92.26 N +HETATM 32 CA HYP A 6 -4.216 -0.858 0.778 1.00 93.66 C +HETATM 33 C HYP A 6 -3.023 -1.426 0.042 1.00 93.59 C +HETATM 34 O HYP A 6 -3.033 -1.518 -1.212 1.00 93.04 O +HETATM 35 CB HYP A 6 -5.279 -1.965 1.019 1.00 88.37 C +HETATM 36 CG HYP A 6 -6.602 -1.249 0.919 1.00 88.02 C +HETATM 37 CD HYP A 6 -6.345 -0.244 -0.205 1.00 90.42 C +HETATM 38 OD1 HYP A 6 -6.846 -0.563 2.124 1.00 88.45 O +ATOM 39 N GLY A 7 -1.991 -1.751 0.751 1.00 92.60 N +ATOM 40 CA GLY A 7 -0.820 -2.340 0.167 1.00 91.96 C +ATOM 41 C GLY A 7 -1.126 -3.721 -0.378 1.00 92.52 C +ATOM 42 O GLY A 7 -2.168 -4.303 -0.089 1.00 92.33 O +ATOM 43 N PRO A 8 -0.214 -4.265 -1.159 1.00 91.30 N +ATOM 44 CA PRO A 8 -0.429 -5.577 -1.741 1.00 91.36 C +ATOM 45 C PRO A 8 -0.298 -6.702 -0.722 1.00 91.43 C +ATOM 46 O PRO A 8 0.396 -6.571 0.284 1.00 89.44 O +ATOM 47 CB PRO A 8 0.642 -5.667 -2.824 1.00 88.86 C +ATOM 48 CG PRO A 8 1.726 -4.803 -2.306 1.00 87.60 C +ATOM 49 CD PRO A 8 1.028 -3.656 -1.617 1.00 90.03 C +HETATM 50 N HYP A 9 -0.983 -7.830 -1.033 1.00 91.75 N +HETATM 51 CA HYP A 9 -0.898 -8.983 -0.207 1.00 89.99 C +HETATM 52 C HYP A 9 0.517 -9.560 -0.240 1.00 92.55 C +HETATM 53 O HYP A 9 1.222 -9.395 -1.233 1.00 91.61 O +HETATM 54 CB HYP A 9 -1.784 -10.062 -0.870 1.00 85.78 C +HETATM 55 CG HYP A 9 -2.727 -9.286 -1.690 1.00 85.54 C +HETATM 56 CD HYP A 9 -1.949 -8.072 -2.121 1.00 90.41 C +HETATM 57 OD1 HYP A 9 -3.799 -8.889 -0.862 1.00 85.01 O +ATOM 58 N GLY A 10 0.997 -10.247 0.672 1.00 91.06 N +ATOM 59 CA GLY A 10 2.297 -10.867 0.645 1.00 89.29 C +ATOM 60 C GLY A 10 2.342 -12.086 1.546 1.00 89.55 C +ATOM 61 O GLY A 10 1.408 -12.370 2.289 1.00 87.73 O +ATOM 62 N MET A 11 3.454 -12.806 1.483 1.00 90.81 N +ATOM 63 CA MET A 11 3.596 -14.018 2.275 1.00 91.88 C +ATOM 64 C MET A 11 3.706 -13.729 3.765 1.00 91.56 C +ATOM 65 O MET A 11 3.658 -14.650 4.579 1.00 88.13 O +ATOM 66 CB MET A 11 4.811 -14.810 1.801 1.00 90.07 C +ATOM 67 CG MET A 11 6.136 -14.157 2.087 1.00 86.39 C +ATOM 68 SD MET A 11 7.494 -14.944 1.196 1.00 80.66 S +ATOM 69 CE MET A 11 7.322 -16.636 1.728 1.00 73.12 C +ATOM 70 N HIS A 12 3.862 -12.471 4.129 1.00 88.79 N +ATOM 71 CA HIS A 12 3.975 -12.101 5.532 1.00 89.71 C +ATOM 72 C HIS A 12 2.723 -11.436 6.087 1.00 89.62 C +ATOM 73 O HIS A 12 2.735 -10.953 7.221 1.00 85.35 O +ATOM 74 CB HIS A 12 5.180 -11.185 5.728 1.00 87.81 C +ATOM 75 CG HIS A 12 6.480 -11.843 5.388 1.00 84.23 C +ATOM 76 ND1 HIS A 12 7.008 -12.874 6.128 1.00 78.36 N +ATOM 77 CD2 HIS A 12 7.326 -11.628 4.368 1.00 73.81 C +ATOM 78 CE1 HIS A 12 8.133 -13.264 5.571 1.00 76.30 C +ATOM 79 NE2 HIS A 12 8.365 -12.532 4.508 1.00 77.79 N +ATOM 80 N GLY A 13 1.658 -11.408 5.326 1.00 91.40 N +ATOM 81 CA GLY A 13 0.436 -10.845 5.852 1.00 90.44 C +ATOM 82 C GLY A 13 -0.529 -10.329 4.813 1.00 91.44 C +ATOM 83 O GLY A 13 -0.288 -10.443 3.607 1.00 90.93 O +ATOM 84 N PRO A 14 -1.629 -9.783 5.285 1.00 93.72 N +ATOM 85 CA PRO A 14 -2.668 -9.256 4.413 1.00 93.65 C +ATOM 86 C PRO A 14 -2.257 -7.929 3.796 1.00 93.82 C +ATOM 87 O PRO A 14 -1.140 -7.453 4.008 1.00 92.48 O +ATOM 88 CB PRO A 14 -3.855 -9.102 5.357 1.00 92.22 C +ATOM 89 CG PRO A 14 -3.218 -8.754 6.659 1.00 90.72 C +ATOM 90 CD PRO A 14 -1.978 -9.608 6.700 1.00 92.22 C +HETATM 91 N HYP A 15 -3.201 -7.348 3.049 1.00 92.55 N +HETATM 92 CA HYP A 15 -2.924 -6.062 2.472 1.00 93.05 C +HETATM 93 C HYP A 15 -2.448 -5.068 3.486 1.00 94.17 C +HETATM 94 O HYP A 15 -2.903 -5.118 4.665 1.00 93.05 O +HETATM 95 CB HYP A 15 -4.293 -5.626 1.898 1.00 89.43 C +HETATM 96 CG HYP A 15 -4.984 -6.922 1.607 1.00 88.10 C +HETATM 97 CD HYP A 15 -4.540 -7.838 2.752 1.00 91.63 C +HETATM 98 OD1 HYP A 15 -4.531 -7.409 0.397 1.00 88.94 O +ATOM 99 N GLY A 16 -1.556 -4.229 3.095 1.00 93.82 N +ATOM 100 CA GLY A 16 -1.049 -3.220 3.979 1.00 93.35 C +ATOM 101 C GLY A 16 -2.102 -2.158 4.235 1.00 93.94 C +ATOM 102 O GLY A 16 -3.174 -2.167 3.624 1.00 93.45 O +ATOM 103 N PRO A 17 -1.799 -1.240 5.145 1.00 91.93 N +ATOM 104 CA PRO A 17 -2.750 -0.184 5.460 1.00 91.48 C +ATOM 105 C PRO A 17 -2.882 0.805 4.311 1.00 92.03 C +ATOM 106 O PRO A 17 -2.038 0.859 3.420 1.00 90.69 O +ATOM 107 CB PRO A 17 -2.155 0.466 6.704 1.00 89.94 C +ATOM 108 CG PRO A 17 -0.707 0.185 6.600 1.00 88.51 C +ATOM 109 CD PRO A 17 -0.597 -1.161 5.958 1.00 90.39 C +HETATM 110 N HYP A 18 -3.978 1.566 4.330 1.00 89.38 N +HETATM 111 CA HYP A 18 -4.142 2.590 3.363 1.00 88.39 C +HETATM 112 C HYP A 18 -3.019 3.577 3.350 1.00 89.99 C +HETATM 113 O HYP A 18 -2.409 3.848 4.420 1.00 90.58 O +HETATM 114 CB HYP A 18 -5.472 3.260 3.823 1.00 84.82 C +HETATM 115 CG HYP A 18 -6.219 2.142 4.523 1.00 83.99 C +HETATM 116 CD HYP A 18 -5.102 1.419 5.236 1.00 89.89 C +HETATM 117 OD1 HYP A 18 -6.814 1.293 3.568 1.00 86.29 O +ATOM 118 N GLY A 19 -2.687 4.067 2.204 1.00 88.23 N +ATOM 119 CA GLY A 19 -1.637 5.038 2.074 1.00 88.09 C +ATOM 120 C GLY A 19 -2.037 6.342 2.731 1.00 88.50 C +ATOM 121 O GLY A 19 -3.180 6.517 3.153 1.00 89.23 O +ATOM 122 N PRO A 20 -1.102 7.265 2.825 1.00 86.32 N +ATOM 123 CA PRO A 20 -1.386 8.543 3.452 1.00 86.89 C +ATOM 124 C PRO A 20 -2.294 9.411 2.604 1.00 86.70 C +ATOM 125 O PRO A 20 -2.396 9.226 1.394 1.00 86.17 O +ATOM 126 CB PRO A 20 -0.002 9.166 3.613 1.00 84.53 C +ATOM 127 CG PRO A 20 0.766 8.597 2.468 1.00 82.10 C +ATOM 128 CD PRO A 20 0.280 7.177 2.369 1.00 85.09 C +HETATM 129 N HYP A 21 -2.962 10.326 3.264 1.00 89.15 N +HETATM 130 CA HYP A 21 -3.770 11.269 2.550 1.00 88.89 C +HETATM 131 C HYP A 21 -2.987 12.125 1.589 1.00 88.48 C +HETATM 132 O HYP A 21 -1.814 12.439 1.871 1.00 91.21 O +HETATM 133 CB HYP A 21 -4.337 12.181 3.686 1.00 84.19 C +HETATM 134 CG HYP A 21 -4.284 11.346 4.936 1.00 81.89 C +HETATM 135 CD HYP A 21 -3.033 10.524 4.736 1.00 88.86 C +HETATM 136 OD1 HYP A 21 -5.409 10.474 4.961 1.00 83.57 O +ATOM 137 N GLY A 22 -3.532 12.421 0.479 1.00 89.44 N +ATOM 138 CA GLY A 22 -2.897 13.320 -0.438 1.00 88.16 C +ATOM 139 C GLY A 22 -3.016 14.733 0.108 1.00 88.20 C +ATOM 140 O GLY A 22 -3.682 14.962 1.122 1.00 88.24 O +ATOM 141 N PRO A 23 -2.404 15.709 -0.547 1.00 91.64 N +ATOM 142 CA PRO A 23 -2.514 17.085 -0.084 1.00 91.77 C +ATOM 143 C PRO A 23 -3.918 17.605 -0.375 1.00 90.50 C +ATOM 144 O PRO A 23 -4.307 17.734 -1.533 1.00 87.16 O +ATOM 145 CB PRO A 23 -1.443 17.817 -0.878 1.00 88.74 C +ATOM 146 CG PRO A 23 -1.279 17.001 -2.108 1.00 86.06 C +ATOM 147 CD PRO A 23 -1.534 15.576 -1.692 1.00 89.70 C +HETATM 148 N HYP A 24 -4.722 17.740 0.573 1.00 94.35 N +HETATM 149 CA HYP A 24 -6.218 17.719 0.383 1.00 90.04 C +HETATM 150 C HYP A 24 -6.894 16.609 -0.076 1.00 93.77 C +HETATM 151 O HYP A 24 -7.747 16.753 -1.077 1.00 92.60 O +HETATM 152 CB HYP A 24 -6.750 18.544 1.545 1.00 86.95 C +HETATM 153 CG HYP A 24 -5.595 19.466 1.901 1.00 87.57 C +HETATM 154 CD HYP A 24 -4.304 18.680 1.504 1.00 91.31 C +HETATM 155 OD1 HYP A 24 -5.593 19.852 3.245 1.00 88.58 O +HETATM 156 OXT HYP A 24 -7.552 15.802 0.818 1.00 87.03 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_379.txt b/protein_pdb_379.txt new file mode 100644 index 0000000000000000000000000000000000000000..b140c08293287f74c07bc77fa300425e170bb5f0 --- /dev/null +++ b/protein_pdb_379.txt @@ -0,0 +1,181 @@ +ATOM 1 N GLY A 1 11.560 21.238 -38.783 1.00 91.61 N +ATOM 2 CA GLY A 1 10.148 20.860 -38.776 1.00 92.83 C +ATOM 3 C GLY A 1 9.523 21.030 -37.403 1.00 93.52 C +ATOM 4 O GLY A 1 10.249 21.212 -36.422 1.00 91.70 O +ATOM 5 N PRO A 2 8.203 20.976 -37.305 1.00 96.37 N +ATOM 6 CA PRO A 2 7.545 21.129 -36.010 1.00 96.72 C +ATOM 7 C PRO A 2 7.822 19.947 -35.093 1.00 97.28 C +ATOM 8 O PRO A 2 8.119 18.835 -35.541 1.00 96.05 O +ATOM 9 CB PRO A 2 6.055 21.225 -36.374 1.00 94.59 C +ATOM 10 CG PRO A 2 5.956 20.439 -37.634 1.00 91.45 C +ATOM 11 CD PRO A 2 7.231 20.763 -38.386 1.00 93.45 C +ATOM 12 N ALA A 3 7.713 20.189 -33.793 1.00 96.48 N +ATOM 13 CA ALA A 3 7.933 19.130 -32.811 1.00 96.71 C +ATOM 14 C ALA A 3 6.833 18.075 -32.920 1.00 96.96 C +ATOM 15 O ALA A 3 5.686 18.383 -33.253 1.00 94.89 O +ATOM 16 CB ALA A 3 7.957 19.716 -31.401 1.00 95.01 C +ATOM 17 N GLY A 4 7.188 16.832 -32.634 1.00 97.56 N +ATOM 18 CA GLY A 4 6.219 15.750 -32.694 1.00 97.39 C +ATOM 19 C GLY A 4 5.232 15.811 -31.530 1.00 97.82 C +ATOM 20 O GLY A 4 5.428 16.577 -30.584 1.00 97.87 O +ATOM 21 N PRO A 5 4.184 14.992 -31.583 1.00 97.75 N +ATOM 22 CA PRO A 5 3.184 14.985 -30.510 1.00 97.70 C +ATOM 23 C PRO A 5 3.742 14.367 -29.231 1.00 98.07 C +ATOM 24 O PRO A 5 4.711 13.603 -29.257 1.00 97.76 O +ATOM 25 CB PRO A 5 2.036 14.152 -31.092 1.00 96.60 C +ATOM 26 CG PRO A 5 2.734 13.200 -32.005 1.00 94.87 C +ATOM 27 CD PRO A 5 3.837 14.036 -32.639 1.00 96.88 C +ATOM 28 N ALA A 6 3.092 14.688 -28.113 1.00 97.48 N +ATOM 29 CA ALA A 6 3.495 14.129 -26.828 1.00 97.54 C +ATOM 30 C ALA A 6 3.222 12.625 -26.804 1.00 97.88 C +ATOM 31 O ALA A 6 2.298 12.140 -27.464 1.00 96.71 O +ATOM 32 CB ALA A 6 2.752 14.826 -25.695 1.00 96.11 C +ATOM 33 N GLY A 7 4.023 11.901 -26.054 1.00 97.98 N +ATOM 34 CA GLY A 7 3.841 10.458 -25.952 1.00 97.95 C +ATOM 35 C GLY A 7 2.597 10.101 -25.157 1.00 98.24 C +ATOM 36 O GLY A 7 1.968 10.959 -24.534 1.00 98.25 O +ATOM 37 N PRO A 8 2.237 8.810 -25.146 1.00 98.29 N +ATOM 38 CA PRO A 8 1.050 8.376 -24.416 1.00 98.20 C +ATOM 39 C PRO A 8 1.253 8.448 -22.903 1.00 98.41 C +ATOM 40 O PRO A 8 2.382 8.479 -22.409 1.00 98.11 O +ATOM 41 CB PRO A 8 0.848 6.932 -24.886 1.00 97.51 C +ATOM 42 CG PRO A 8 2.239 6.480 -25.192 1.00 95.81 C +ATOM 43 CD PRO A 8 2.896 7.694 -25.817 1.00 97.60 C +ATOM 44 N VAL A 9 0.128 8.468 -22.176 1.00 98.12 N +ATOM 45 CA VAL A 9 0.174 8.486 -20.715 1.00 98.01 C +ATOM 46 C VAL A 9 0.728 7.150 -20.233 1.00 98.12 C +ATOM 47 O VAL A 9 0.392 6.094 -20.769 1.00 97.67 O +ATOM 48 CB VAL A 9 -1.236 8.736 -20.125 1.00 97.24 C +ATOM 49 CG1 VAL A 9 -1.193 8.705 -18.610 1.00 92.10 C +ATOM 50 CG2 VAL A 9 -1.771 10.082 -20.610 1.00 92.15 C +ATOM 51 N GLY A 10 1.586 7.201 -19.218 1.00 98.08 N +ATOM 52 CA GLY A 10 2.178 5.990 -18.680 1.00 98.02 C +ATOM 53 C GLY A 10 1.162 5.125 -17.944 1.00 98.23 C +ATOM 54 O GLY A 10 0.049 5.558 -17.661 1.00 98.23 O +ATOM 55 N PRO A 11 1.559 3.897 -17.603 1.00 98.49 N +ATOM 56 CA PRO A 11 0.650 2.988 -16.893 1.00 98.31 C +ATOM 57 C PRO A 11 0.399 3.452 -15.464 1.00 98.48 C +ATOM 58 O PRO A 11 1.177 4.211 -14.888 1.00 98.11 O +ATOM 59 CB PRO A 11 1.392 1.646 -16.926 1.00 97.69 C +ATOM 60 CG PRO A 11 2.829 2.048 -16.955 1.00 96.52 C +ATOM 61 CD PRO A 11 2.858 3.271 -17.848 1.00 97.85 C +ATOM 62 N ALA A 12 -0.712 2.975 -14.890 1.00 98.09 N +ATOM 63 CA ALA A 12 -1.051 3.314 -13.518 1.00 98.02 C +ATOM 64 C ALA A 12 -0.022 2.716 -12.564 1.00 98.15 C +ATOM 65 O ALA A 12 0.576 1.676 -12.845 1.00 96.80 O +ATOM 66 CB ALA A 12 -2.450 2.804 -13.174 1.00 96.88 C +ATOM 67 N GLY A 13 0.184 3.384 -11.429 1.00 97.85 N +ATOM 68 CA GLY A 13 1.127 2.896 -10.446 1.00 97.73 C +ATOM 69 C GLY A 13 0.655 1.609 -9.788 1.00 98.07 C +ATOM 70 O GLY A 13 -0.534 1.283 -9.801 1.00 97.80 O +ATOM 71 N ALA A 14 1.602 0.874 -9.220 1.00 98.20 N +ATOM 72 CA ALA A 14 1.290 -0.379 -8.543 1.00 98.23 C +ATOM 73 C ALA A 14 0.518 -0.115 -7.252 1.00 98.38 C +ATOM 74 O ALA A 14 0.649 0.941 -6.633 1.00 97.50 O +ATOM 75 CB ALA A 14 2.570 -1.149 -8.241 1.00 97.51 C +ATOM 76 N ARG A 15 -0.271 -1.101 -6.826 1.00 98.16 N +ATOM 77 CA ARG A 15 -1.016 -0.987 -5.580 1.00 98.08 C +ATOM 78 C ARG A 15 -0.036 -0.934 -4.415 1.00 97.92 C +ATOM 79 O ARG A 15 0.997 -1.615 -4.426 1.00 96.97 O +ATOM 80 CB ARG A 15 -1.966 -2.184 -5.429 1.00 96.77 C +ATOM 81 CG ARG A 15 -2.808 -2.130 -4.169 1.00 93.01 C +ATOM 82 CD ARG A 15 -3.708 -3.347 -4.061 1.00 89.52 C +ATOM 83 NE ARG A 15 -4.527 -3.314 -2.847 1.00 83.98 N +ATOM 84 CZ ARG A 15 -5.369 -4.263 -2.491 1.00 80.51 C +ATOM 85 NH1 ARG A 15 -5.521 -5.338 -3.243 1.00 77.34 N +ATOM 86 NH2 ARG A 15 -6.065 -4.139 -1.381 1.00 75.65 N +ATOM 87 N GLY A 16 -0.363 -0.130 -3.426 1.00 98.01 N +ATOM 88 CA GLY A 16 0.499 -0.007 -2.264 1.00 97.74 C +ATOM 89 C GLY A 16 0.574 -1.295 -1.458 1.00 97.84 C +ATOM 90 O GLY A 16 -0.287 -2.173 -1.594 1.00 97.66 O +ATOM 91 N PRO A 17 1.593 -1.430 -0.606 1.00 98.06 N +ATOM 92 CA PRO A 17 1.753 -2.638 0.207 1.00 97.93 C +ATOM 93 C PRO A 17 0.709 -2.712 1.314 1.00 98.16 C +ATOM 94 O PRO A 17 0.100 -1.714 1.695 1.00 97.70 O +ATOM 95 CB PRO A 17 3.167 -2.509 0.766 1.00 96.87 C +ATOM 96 CG PRO A 17 3.355 -1.027 0.883 1.00 95.41 C +ATOM 97 CD PRO A 17 2.684 -0.474 -0.357 1.00 97.07 C +ATOM 98 N ALA A 18 0.517 -3.921 1.830 1.00 97.66 N +ATOM 99 CA ALA A 18 -0.408 -4.117 2.934 1.00 97.61 C +ATOM 100 C ALA A 18 0.122 -3.400 4.175 1.00 97.98 C +ATOM 101 O ALA A 18 1.332 -3.250 4.346 1.00 96.80 O +ATOM 102 CB ALA A 18 -0.582 -5.609 3.226 1.00 96.21 C +ATOM 103 N GLY A 19 -0.792 -2.968 5.035 1.00 98.18 N +ATOM 104 CA GLY A 19 -0.399 -2.279 6.249 1.00 98.08 C +ATOM 105 C GLY A 19 0.296 -3.209 7.228 1.00 98.20 C +ATOM 106 O GLY A 19 0.251 -4.436 7.079 1.00 98.13 O +ATOM 107 N PRO A 20 0.939 -2.640 8.254 1.00 97.82 N +ATOM 108 CA PRO A 20 1.661 -3.441 9.243 1.00 97.88 C +ATOM 109 C PRO A 20 0.701 -4.194 10.157 1.00 98.02 C +ATOM 110 O PRO A 20 -0.468 -3.846 10.272 1.00 97.74 O +ATOM 111 CB PRO A 20 2.468 -2.406 10.013 1.00 96.84 C +ATOM 112 CG PRO A 20 1.630 -1.172 9.918 1.00 95.21 C +ATOM 113 CD PRO A 20 1.068 -1.205 8.516 1.00 96.84 C +HETATM 114 N HYP A 21 1.207 -5.214 10.845 1.00 98.05 N +HETATM 115 CA HYP A 21 0.459 -5.969 11.796 1.00 97.89 C +HETATM 116 C HYP A 21 -0.003 -5.074 12.941 1.00 98.29 C +HETATM 117 O HYP A 21 0.675 -4.095 13.265 1.00 97.69 O +HETATM 118 CB HYP A 21 1.471 -6.999 12.298 1.00 97.09 C +HETATM 119 CG HYP A 21 2.452 -7.150 11.170 1.00 96.05 C +HETATM 120 CD HYP A 21 2.532 -5.778 10.621 1.00 97.04 C +HETATM 121 OD1 HYP A 21 1.986 -8.027 10.192 1.00 95.46 O +ATOM 122 N GLY A 22 -1.130 -5.391 13.502 1.00 98.14 N +ATOM 123 CA GLY A 22 -1.622 -4.627 14.617 1.00 98.19 C +ATOM 124 C GLY A 22 -0.737 -4.830 15.839 1.00 98.32 C +ATOM 125 O GLY A 22 0.136 -5.706 15.852 1.00 98.05 O +ATOM 126 N PRO A 23 -0.966 -4.028 16.889 1.00 97.60 N +ATOM 127 CA PRO A 23 -0.152 -4.136 18.102 1.00 97.56 C +ATOM 128 C PRO A 23 -0.427 -5.441 18.847 1.00 97.61 C +ATOM 129 O PRO A 23 -1.483 -6.042 18.703 1.00 97.01 O +ATOM 130 CB PRO A 23 -0.578 -2.918 18.918 1.00 96.38 C +ATOM 131 CG PRO A 23 -1.975 -2.668 18.471 1.00 94.73 C +ATOM 132 CD PRO A 23 -1.959 -2.969 16.994 1.00 96.62 C +HETATM 133 N HYP A 24 0.526 -5.855 19.683 1.00 97.77 N +HETATM 134 CA HYP A 24 0.375 -7.049 20.487 1.00 97.06 C +HETATM 135 C HYP A 24 -0.782 -6.890 21.483 1.00 97.78 C +HETATM 136 O HYP A 24 -1.040 -5.782 21.946 1.00 97.19 O +HETATM 137 CB HYP A 24 1.734 -7.065 21.284 1.00 95.35 C +HETATM 138 CG HYP A 24 2.730 -6.314 20.440 1.00 94.04 C +HETATM 139 CD HYP A 24 1.862 -5.262 19.776 1.00 95.74 C +HETATM 140 OD1 HYP A 24 3.274 -7.129 19.428 1.00 93.72 O +ATOM 141 N GLY A 25 -1.452 -7.971 21.751 1.00 96.54 N +ATOM 142 CA GLY A 25 -2.530 -7.935 22.707 1.00 96.76 C +ATOM 143 C GLY A 25 -1.990 -7.706 24.107 1.00 97.13 C +ATOM 144 O GLY A 25 -0.783 -7.819 24.349 1.00 96.69 O +ATOM 145 N PRO A 26 -2.870 -7.409 25.063 1.00 95.61 N +ATOM 146 CA PRO A 26 -2.440 -7.163 26.436 1.00 95.39 C +ATOM 147 C PRO A 26 -1.951 -8.439 27.107 1.00 95.43 C +ATOM 148 O PRO A 26 -2.323 -9.544 26.714 1.00 94.33 O +ATOM 149 CB PRO A 26 -3.692 -6.600 27.105 1.00 93.44 C +ATOM 150 CG PRO A 26 -4.801 -7.216 26.330 1.00 91.97 C +ATOM 151 CD PRO A 26 -4.310 -7.235 24.904 1.00 94.35 C +HETATM 152 N HYP A 27 -1.139 -8.328 28.175 1.00 96.06 N +HETATM 153 CA HYP A 27 -0.661 -9.472 28.899 1.00 94.37 C +HETATM 154 C HYP A 27 -1.791 -10.217 29.616 1.00 96.07 C +HETATM 155 O HYP A 27 -2.786 -9.612 29.941 1.00 95.21 O +HETATM 156 CB HYP A 27 0.235 -8.785 30.035 1.00 93.14 C +HETATM 157 CG HYP A 27 0.640 -7.430 29.490 1.00 91.63 C +HETATM 158 CD HYP A 27 -0.549 -7.045 28.620 1.00 93.52 C +HETATM 159 OD1 HYP A 27 1.783 -7.542 28.649 1.00 90.62 O +ATOM 160 N GLY A 28 -1.624 -11.501 29.767 1.00 91.41 N +ATOM 161 CA GLY A 28 -2.621 -12.280 30.453 1.00 91.17 C +ATOM 162 C GLY A 28 -2.675 -11.915 31.928 1.00 91.84 C +ATOM 163 O GLY A 28 -1.782 -11.226 32.439 1.00 90.39 O +ATOM 164 N PRO A 29 -3.690 -12.386 32.670 1.00 92.91 N +ATOM 165 CA PRO A 29 -3.818 -12.068 34.090 1.00 92.99 C +ATOM 166 C PRO A 29 -2.726 -12.735 34.900 1.00 92.40 C +ATOM 167 O PRO A 29 -2.174 -13.762 34.501 1.00 89.05 O +ATOM 168 CB PRO A 29 -5.206 -12.589 34.455 1.00 89.72 C +ATOM 169 CG PRO A 29 -5.414 -13.694 33.484 1.00 86.89 C +ATOM 170 CD PRO A 29 -4.786 -13.216 32.202 1.00 89.81 C +HETATM 171 N HYP A 30 -2.431 -12.175 36.116 1.00 94.38 N +HETATM 172 CA HYP A 30 -1.399 -12.855 36.882 1.00 90.30 C +HETATM 173 C HYP A 30 -1.971 -14.186 37.440 1.00 90.88 C +HETATM 174 O HYP A 30 -2.370 -14.370 38.531 1.00 89.52 O +HETATM 175 CB HYP A 30 -1.221 -11.870 38.118 1.00 88.02 C +HETATM 176 CG HYP A 30 -1.771 -10.501 37.705 1.00 86.87 C +HETATM 177 CD HYP A 30 -2.804 -10.850 36.622 1.00 91.07 C +HETATM 178 OD1 HYP A 30 -0.743 -9.765 37.124 1.00 84.52 O +HETATM 179 OXT HYP A 30 -2.064 -15.025 36.583 1.00 88.71 O +TER 180 HYP A 30 +END diff --git a/protein_pdb_38.txt b/protein_pdb_38.txt new file mode 100644 index 0000000000000000000000000000000000000000..3b58f9e8eb8717042c14b7984ef0340d7e52eba0 --- /dev/null +++ b/protein_pdb_38.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 30.970 -11.816 12.502 1.00 90.10 N +ATOM 2 CA GLY A 1 30.006 -12.547 11.682 1.00 91.22 C +ATOM 3 C GLY A 1 29.525 -11.701 10.520 1.00 92.04 C +ATOM 4 O GLY A 1 29.848 -10.516 10.427 1.00 89.58 O +ATOM 5 N PRO A 2 28.750 -12.276 9.625 1.00 91.62 N +ATOM 6 CA PRO A 2 28.231 -11.526 8.484 1.00 92.98 C +ATOM 7 C PRO A 2 27.194 -10.504 8.920 1.00 93.20 C +ATOM 8 O PRO A 2 26.607 -10.612 9.994 1.00 91.11 O +ATOM 9 CB PRO A 2 27.604 -12.606 7.591 1.00 90.39 C +ATOM 10 CG PRO A 2 27.207 -13.671 8.556 1.00 87.30 C +ATOM 11 CD PRO A 2 28.272 -13.657 9.625 1.00 88.98 C +HETATM 12 N HYP A 3 27.009 -9.508 8.110 1.00 94.47 N +HETATM 13 CA HYP A 3 25.946 -8.522 8.337 1.00 94.36 C +HETATM 14 C HYP A 3 24.607 -9.211 8.490 1.00 94.68 C +HETATM 15 O HYP A 3 24.344 -10.235 7.844 1.00 91.69 O +HETATM 16 CB HYP A 3 25.977 -7.679 7.065 1.00 93.03 C +HETATM 17 CG HYP A 3 27.377 -7.822 6.525 1.00 92.34 C +HETATM 18 CD HYP A 3 27.734 -9.283 6.859 1.00 93.91 C +HETATM 19 OD1 HYP A 3 28.259 -6.972 7.183 1.00 92.48 O +ATOM 20 N GLY A 4 23.773 -8.635 9.341 1.00 95.02 N +ATOM 21 CA GLY A 4 22.440 -9.165 9.507 1.00 94.17 C +ATOM 22 C GLY A 4 21.617 -8.970 8.246 1.00 94.24 C +ATOM 23 O GLY A 4 22.014 -8.239 7.333 1.00 93.47 O +ATOM 24 N PRO A 5 20.466 -9.615 8.182 1.00 94.74 N +ATOM 25 CA PRO A 5 19.612 -9.477 7.001 1.00 94.49 C +ATOM 26 C PRO A 5 18.971 -8.097 6.942 1.00 94.50 C +ATOM 27 O PRO A 5 18.886 -7.396 7.942 1.00 93.68 O +ATOM 28 CB PRO A 5 18.569 -10.575 7.187 1.00 92.92 C +ATOM 29 CG PRO A 5 18.475 -10.716 8.671 1.00 91.05 C +ATOM 30 CD PRO A 5 19.876 -10.492 9.183 1.00 92.51 C +HETATM 31 N HYP A 6 18.538 -7.699 5.770 1.00 95.28 N +HETATM 32 CA HYP A 6 17.747 -6.476 5.630 1.00 95.16 C +HETATM 33 C HYP A 6 16.520 -6.492 6.472 1.00 93.75 C +HETATM 34 O HYP A 6 15.945 -7.568 6.729 1.00 93.63 O +HETATM 35 CB HYP A 6 17.402 -6.439 4.130 1.00 93.30 C +HETATM 36 CG HYP A 6 18.506 -7.234 3.477 1.00 91.58 C +HETATM 37 CD HYP A 6 18.787 -8.315 4.507 1.00 94.15 C +HETATM 38 OD1 HYP A 6 19.638 -6.430 3.288 1.00 91.80 O +ATOM 39 N GLY A 7 16.102 -5.341 6.928 1.00 95.52 N +ATOM 40 CA GLY A 7 14.893 -5.246 7.711 1.00 94.86 C +ATOM 41 C GLY A 7 13.681 -5.652 6.900 1.00 95.13 C +ATOM 42 O GLY A 7 13.750 -5.822 5.683 1.00 94.61 O +ATOM 43 N PRO A 8 12.547 -5.808 7.576 1.00 95.04 N +ATOM 44 CA PRO A 8 11.326 -6.189 6.873 1.00 94.87 C +ATOM 45 C PRO A 8 10.807 -5.053 6.000 1.00 94.83 C +ATOM 46 O PRO A 8 11.131 -3.895 6.214 1.00 93.87 O +ATOM 47 CB PRO A 8 10.352 -6.512 8.005 1.00 93.78 C +ATOM 48 CG PRO A 8 10.830 -5.663 9.131 1.00 93.04 C +ATOM 49 CD PRO A 8 12.330 -5.633 9.008 1.00 94.27 C +HETATM 50 N HYP A 9 10.005 -5.350 5.027 1.00 95.17 N +HETATM 51 CA HYP A 9 9.335 -4.367 4.205 1.00 94.69 C +HETATM 52 C HYP A 9 8.449 -3.481 5.007 1.00 95.65 C +HETATM 53 O HYP A 9 7.903 -3.903 6.022 1.00 94.36 O +HETATM 54 CB HYP A 9 8.496 -5.243 3.242 1.00 93.41 C +HETATM 55 CG HYP A 9 9.310 -6.489 3.129 1.00 91.67 C +HETATM 56 CD HYP A 9 9.822 -6.649 4.523 1.00 94.22 C +HETATM 57 OD1 HYP A 9 10.396 -6.294 2.247 1.00 90.58 O +ATOM 58 N GLY A 10 8.355 -2.232 4.592 1.00 95.87 N +ATOM 59 CA GLY A 10 7.501 -1.293 5.276 1.00 94.90 C +ATOM 60 C GLY A 10 6.054 -1.709 5.229 1.00 95.20 C +ATOM 61 O GLY A 10 5.657 -2.608 4.474 1.00 94.48 O +ATOM 62 N ALA A 11 5.256 -1.046 6.041 1.00 95.02 N +ATOM 63 CA ALA A 11 3.828 -1.319 6.087 1.00 94.77 C +ATOM 64 C ALA A 11 3.176 -0.971 4.757 1.00 94.89 C +ATOM 65 O ALA A 11 3.637 -0.100 4.029 1.00 93.32 O +ATOM 66 CB ALA A 11 3.185 -0.515 7.201 1.00 93.12 C +HETATM 67 N HYP A 12 2.095 -1.626 4.396 1.00 95.38 N +HETATM 68 CA HYP A 12 1.307 -1.291 3.238 1.00 95.55 C +HETATM 69 C HYP A 12 0.839 0.116 3.259 1.00 95.85 C +HETATM 70 O HYP A 12 0.603 0.680 4.333 1.00 93.89 O +HETATM 71 CB HYP A 12 0.160 -2.270 3.246 1.00 93.84 C +HETATM 72 CG HYP A 12 0.685 -3.423 4.008 1.00 92.30 C +HETATM 73 CD HYP A 12 1.556 -2.783 5.002 1.00 94.45 C +HETATM 74 OD1 HYP A 12 1.467 -4.261 3.191 1.00 91.35 O +ATOM 75 N GLY A 13 0.719 0.707 2.095 1.00 95.63 N +ATOM 76 CA GLY A 13 0.206 2.050 1.984 1.00 94.86 C +ATOM 77 C GLY A 13 -1.261 2.115 2.385 1.00 95.33 C +ATOM 78 O GLY A 13 -1.903 1.085 2.628 1.00 94.87 O +ATOM 79 N PRO A 14 -1.811 3.325 2.447 1.00 94.82 N +ATOM 80 CA PRO A 14 -3.215 3.475 2.807 1.00 94.55 C +ATOM 81 C PRO A 14 -4.128 2.963 1.702 1.00 94.54 C +ATOM 82 O PRO A 14 -3.719 2.838 0.554 1.00 93.21 O +ATOM 83 CB PRO A 14 -3.370 4.983 3.004 1.00 93.51 C +ATOM 84 CG PRO A 14 -2.321 5.566 2.122 1.00 92.71 C +ATOM 85 CD PRO A 14 -1.164 4.609 2.176 1.00 93.89 C +HETATM 86 N HYP A 15 -5.376 2.676 2.021 1.00 93.57 N +HETATM 87 CA HYP A 15 -6.358 2.287 1.034 1.00 93.58 C +HETATM 88 C HYP A 15 -6.527 3.318 -0.040 1.00 94.57 C +HETATM 89 O HYP A 15 -6.393 4.538 0.224 1.00 90.60 O +HETATM 90 CB HYP A 15 -7.640 2.158 1.838 1.00 92.71 C +HETATM 91 CG HYP A 15 -7.162 1.886 3.228 1.00 92.37 C +HETATM 92 CD HYP A 15 -5.900 2.687 3.330 1.00 94.24 C +HETATM 93 OD1 HYP A 15 -6.828 0.530 3.407 1.00 91.63 O +ATOM 94 N GLY A 16 -6.797 2.888 -1.239 1.00 93.01 N +ATOM 95 CA GLY A 16 -7.084 3.807 -2.314 1.00 91.16 C +ATOM 96 C GLY A 16 -8.383 4.549 -2.055 1.00 91.92 C +ATOM 97 O GLY A 16 -9.155 4.206 -1.154 1.00 91.84 O +ATOM 98 N PRO A 17 -8.647 5.572 -2.864 1.00 92.50 N +ATOM 99 CA PRO A 17 -9.875 6.335 -2.689 1.00 92.58 C +ATOM 100 C PRO A 17 -11.092 5.523 -3.115 1.00 92.03 C +ATOM 101 O PRO A 17 -10.977 4.562 -3.863 1.00 90.72 O +ATOM 102 CB PRO A 17 -9.666 7.549 -3.599 1.00 90.96 C +ATOM 103 CG PRO A 17 -8.756 7.049 -4.656 1.00 89.55 C +ATOM 104 CD PRO A 17 -7.826 6.079 -3.969 1.00 91.57 C +HETATM 105 N HYP A 18 -12.264 5.882 -2.651 1.00 93.26 N +HETATM 106 CA HYP A 18 -13.493 5.296 -3.095 1.00 94.19 C +HETATM 107 C HYP A 18 -13.676 5.396 -4.579 1.00 93.96 C +HETATM 108 O HYP A 18 -13.211 6.384 -5.201 1.00 92.22 O +HETATM 109 CB HYP A 18 -14.558 6.039 -2.361 1.00 93.33 C +HETATM 110 CG HYP A 18 -13.873 6.545 -1.121 1.00 92.94 C +HETATM 111 CD HYP A 18 -12.465 6.833 -1.611 1.00 93.92 C +HETATM 112 OD1 HYP A 18 -13.810 5.539 -0.131 1.00 91.55 O +ATOM 113 N GLY A 19 -14.280 4.403 -5.181 1.00 93.31 N +ATOM 114 CA GLY A 19 -14.558 4.448 -6.591 1.00 92.57 C +ATOM 115 C GLY A 19 -15.547 5.561 -6.914 1.00 92.83 C +ATOM 116 O GLY A 19 -16.165 6.141 -6.018 1.00 92.29 O +ATOM 117 N PRO A 20 -15.718 5.850 -8.190 1.00 92.81 N +ATOM 118 CA PRO A 20 -16.640 6.908 -8.581 1.00 92.38 C +ATOM 119 C PRO A 20 -18.084 6.475 -8.373 1.00 91.93 C +ATOM 120 O PRO A 20 -18.385 5.288 -8.316 1.00 89.77 O +ATOM 121 CB PRO A 20 -16.322 7.116 -10.065 1.00 90.04 C +ATOM 122 CG PRO A 20 -15.823 5.787 -10.510 1.00 87.91 C +ATOM 123 CD PRO A 20 -15.053 5.232 -9.341 1.00 90.82 C +HETATM 124 N HYP A 21 -18.999 7.406 -8.280 1.00 94.28 N +HETATM 125 CA HYP A 21 -20.401 7.126 -8.182 1.00 94.25 C +HETATM 126 C HYP A 21 -20.910 6.373 -9.401 1.00 94.99 C +HETATM 127 O HYP A 21 -20.382 6.560 -10.512 1.00 92.74 O +HETATM 128 CB HYP A 21 -21.053 8.515 -8.171 1.00 92.88 C +HETATM 129 CG HYP A 21 -19.991 9.435 -7.607 1.00 92.70 C +HETATM 130 CD HYP A 21 -18.717 8.844 -8.173 1.00 93.69 C +HETATM 131 OD1 HYP A 21 -19.933 9.327 -6.184 1.00 90.64 O +ATOM 132 N GLY A 22 -21.872 5.508 -9.216 1.00 90.54 N +ATOM 133 CA GLY A 22 -22.461 4.808 -10.329 1.00 89.36 C +ATOM 134 C GLY A 22 -23.152 5.782 -11.276 1.00 89.64 C +ATOM 135 O GLY A 22 -23.329 6.960 -10.963 1.00 88.27 O +ATOM 136 N PRO A 23 -23.580 5.297 -12.434 1.00 89.14 N +ATOM 137 CA PRO A 23 -24.237 6.167 -13.400 1.00 89.36 C +ATOM 138 C PRO A 23 -25.625 6.557 -12.926 1.00 88.64 C +ATOM 139 O PRO A 23 -26.241 5.862 -12.122 1.00 84.93 O +ATOM 140 CB PRO A 23 -24.293 5.311 -14.667 1.00 85.23 C +ATOM 141 CG PRO A 23 -24.343 3.917 -14.147 1.00 81.33 C +ATOM 142 CD PRO A 23 -23.472 3.918 -12.916 1.00 84.58 C +HETATM 143 N HYP A 24 -26.157 7.608 -13.447 1.00 91.06 N +HETATM 144 CA HYP A 24 -27.517 7.969 -13.134 1.00 89.93 C +HETATM 145 C HYP A 24 -28.447 6.905 -13.625 1.00 89.56 C +HETATM 146 O HYP A 24 -28.195 6.398 -14.731 1.00 86.89 O +HETATM 147 CB HYP A 24 -27.776 9.296 -13.861 1.00 90.57 C +HETATM 148 CG HYP A 24 -26.423 9.874 -14.122 1.00 89.99 C +HETATM 149 CD HYP A 24 -25.514 8.642 -14.249 1.00 90.29 C +HETATM 150 OD1 HYP A 24 -26.021 10.602 -12.975 1.00 85.07 O +HETATM 151 OXT HYP A 24 -29.394 6.624 -12.881 1.00 80.13 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_380.txt b/protein_pdb_380.txt new file mode 100644 index 0000000000000000000000000000000000000000..d2f387bbb4d2f2f9f8006aacdd1eadae93d62547 --- /dev/null +++ b/protein_pdb_380.txt @@ -0,0 +1,174 @@ +ATOM 1 N GLY A 1 -24.273 -10.172 29.007 1.00 94.32 N +ATOM 2 CA GLY A 1 -23.887 -11.117 27.952 1.00 95.41 C +ATOM 3 C GLY A 1 -22.445 -10.906 27.552 1.00 95.52 C +ATOM 4 O GLY A 1 -21.837 -9.908 27.934 1.00 94.72 O +ATOM 5 N PRO A 2 -21.874 -11.830 26.778 1.00 97.74 N +ATOM 6 CA PRO A 2 -20.485 -11.694 26.346 1.00 97.75 C +ATOM 7 C PRO A 2 -20.310 -10.513 25.394 1.00 97.94 C +ATOM 8 O PRO A 2 -21.249 -10.118 24.703 1.00 97.46 O +ATOM 9 CB PRO A 2 -20.188 -13.026 25.650 1.00 96.78 C +ATOM 10 CG PRO A 2 -21.526 -13.467 25.158 1.00 94.88 C +ATOM 11 CD PRO A 2 -22.480 -13.039 26.247 1.00 96.61 C +HETATM 12 N HYP A 3 -19.165 -9.959 25.396 1.00 96.46 N +HETATM 13 CA HYP A 3 -18.826 -8.863 24.465 1.00 96.07 C +HETATM 14 C HYP A 3 -19.004 -9.271 23.016 1.00 95.26 C +HETATM 15 O HYP A 3 -18.764 -10.429 22.644 1.00 96.73 O +HETATM 16 CB HYP A 3 -17.363 -8.558 24.814 1.00 94.38 C +HETATM 17 CG HYP A 3 -17.139 -9.108 26.186 1.00 94.71 C +HETATM 18 CD HYP A 3 -18.048 -10.327 26.243 1.00 96.19 C +HETATM 19 OD1 HYP A 3 -17.508 -8.212 27.196 1.00 96.16 O +ATOM 20 N GLY A 4 -19.409 -8.287 22.204 1.00 97.33 N +ATOM 21 CA GLY A 4 -19.557 -8.544 20.797 1.00 96.86 C +ATOM 22 C GLY A 4 -18.193 -8.706 20.132 1.00 96.92 C +ATOM 23 O GLY A 4 -17.161 -8.411 20.746 1.00 97.07 O +ATOM 24 N PRO A 5 -18.166 -9.171 18.874 1.00 97.93 N +ATOM 25 CA PRO A 5 -16.902 -9.372 18.170 1.00 97.67 C +ATOM 26 C PRO A 5 -16.234 -8.040 17.852 1.00 97.73 C +ATOM 27 O PRO A 5 -16.891 -7.008 17.750 1.00 97.32 O +ATOM 28 CB PRO A 5 -17.315 -10.118 16.905 1.00 96.66 C +ATOM 29 CG PRO A 5 -18.709 -9.647 16.672 1.00 95.19 C +ATOM 30 CD PRO A 5 -19.307 -9.537 18.057 1.00 97.09 C +HETATM 31 N HYP A 6 -14.959 -8.053 17.701 1.00 96.37 N +HETATM 32 CA HYP A 6 -14.193 -6.853 17.290 1.00 97.26 C +HETATM 33 C HYP A 6 -14.626 -6.316 15.921 1.00 96.67 C +HETATM 34 O HYP A 6 -15.044 -7.118 15.068 1.00 96.31 O +HETATM 35 CB HYP A 6 -12.722 -7.400 17.215 1.00 95.54 C +HETATM 36 CG HYP A 6 -12.696 -8.600 18.150 1.00 94.99 C +HETATM 37 CD HYP A 6 -14.110 -9.213 17.985 1.00 95.70 C +HETATM 38 OD1 HYP A 6 -12.532 -8.197 19.491 1.00 93.66 O +ATOM 39 N GLY A 7 -14.542 -5.001 15.753 1.00 97.04 N +ATOM 40 CA GLY A 7 -14.886 -4.410 14.488 1.00 96.69 C +ATOM 41 C GLY A 7 -13.893 -4.836 13.418 1.00 96.85 C +ATOM 42 O GLY A 7 -12.778 -5.276 13.723 1.00 96.80 O +ATOM 43 N ARG A 8 -14.313 -4.690 12.146 1.00 97.16 N +ATOM 44 CA ARG A 8 -13.434 -5.088 11.048 1.00 97.28 C +ATOM 45 C ARG A 8 -12.286 -4.113 10.873 1.00 97.38 C +ATOM 46 O ARG A 8 -12.398 -2.938 11.217 1.00 97.13 O +ATOM 47 CB ARG A 8 -14.231 -5.214 9.756 1.00 96.30 C +ATOM 48 CG ARG A 8 -14.844 -3.921 9.263 1.00 92.59 C +ATOM 49 CD ARG A 8 -15.710 -4.182 8.043 1.00 90.15 C +ATOM 50 NE ARG A 8 -16.880 -4.979 8.370 1.00 86.53 N +ATOM 51 CZ ARG A 8 -17.486 -5.846 7.561 1.00 83.66 C +ATOM 52 NH1 ARG A 8 -17.030 -6.063 6.350 1.00 81.40 N +ATOM 53 NH2 ARG A 8 -18.558 -6.506 7.974 1.00 81.11 N +HETATM 54 N HYP A 9 -11.219 -4.557 10.319 1.00 96.67 N +HETATM 55 CA HYP A 9 -10.022 -3.748 10.101 1.00 96.33 C +HETATM 56 C HYP A 9 -10.299 -2.585 9.161 1.00 95.70 C +HETATM 57 O HYP A 9 -11.112 -2.705 8.220 1.00 95.01 O +HETATM 58 CB HYP A 9 -8.995 -4.753 9.452 1.00 94.60 C +HETATM 59 CG HYP A 9 -9.460 -6.091 9.946 1.00 93.12 C +HETATM 60 CD HYP A 9 -10.983 -5.971 9.969 1.00 95.57 C +HETATM 61 OD1 HYP A 9 -8.974 -6.341 11.227 1.00 90.69 O +ATOM 62 N GLY A 10 -9.606 -1.475 9.427 1.00 96.52 N +ATOM 63 CA GLY A 10 -9.760 -0.314 8.589 1.00 95.85 C +ATOM 64 C GLY A 10 -9.252 -0.592 7.180 1.00 95.82 C +ATOM 65 O GLY A 10 -8.448 -1.507 6.955 1.00 95.50 O +ATOM 66 N LYS A 11 -9.719 0.220 6.226 1.00 96.68 N +ATOM 67 CA LYS A 11 -9.297 0.077 4.835 1.00 96.40 C +ATOM 68 C LYS A 11 -7.830 0.480 4.684 1.00 96.32 C +ATOM 69 O LYS A 11 -7.368 1.446 5.282 1.00 95.51 O +ATOM 70 CB LYS A 11 -10.187 0.943 3.947 1.00 95.41 C +ATOM 71 CG LYS A 11 -9.911 0.796 2.458 1.00 90.76 C +ATOM 72 CD LYS A 11 -10.883 1.620 1.631 1.00 87.78 C +ATOM 73 CE LYS A 11 -10.623 1.479 0.145 1.00 82.17 C +ATOM 74 NZ LYS A 11 -11.573 2.276 -0.642 1.00 77.88 N +ATOM 75 N ARG A 12 -7.083 -0.268 3.854 1.00 95.83 N +ATOM 76 CA ARG A 12 -5.672 0.039 3.608 1.00 96.05 C +ATOM 77 C ARG A 12 -5.562 1.345 2.824 1.00 96.61 C +ATOM 78 O ARG A 12 -6.369 1.625 1.946 1.00 95.67 O +ATOM 79 CB ARG A 12 -5.009 -1.117 2.838 1.00 93.97 C +ATOM 80 CG ARG A 12 -3.514 -0.911 2.637 1.00 86.94 C +ATOM 81 CD ARG A 12 -2.877 -2.114 1.967 1.00 83.61 C +ATOM 82 NE ARG A 12 -2.909 -3.298 2.809 1.00 77.73 N +ATOM 83 CZ ARG A 12 -2.492 -4.509 2.456 1.00 75.21 C +ATOM 84 NH1 ARG A 12 -1.997 -4.716 1.250 1.00 71.80 N +ATOM 85 NH2 ARG A 12 -2.557 -5.516 3.303 1.00 69.15 N +ATOM 86 N GLY A 13 -4.556 2.134 3.187 1.00 95.76 N +ATOM 87 CA GLY A 13 -4.336 3.404 2.515 1.00 94.88 C +ATOM 88 C GLY A 13 -3.973 3.235 1.054 1.00 95.31 C +ATOM 89 O GLY A 13 -3.525 2.162 0.630 1.00 95.50 O +ATOM 90 N LYS A 14 -4.163 4.292 0.265 1.00 95.98 N +ATOM 91 CA LYS A 14 -3.845 4.275 -1.158 1.00 96.16 C +ATOM 92 C LYS A 14 -2.336 4.273 -1.370 1.00 96.55 C +ATOM 93 O LYS A 14 -1.588 4.743 -0.525 1.00 96.76 O +ATOM 94 CB LYS A 14 -4.439 5.501 -1.836 1.00 94.83 C +ATOM 95 CG LYS A 14 -5.954 5.533 -1.811 1.00 89.77 C +ATOM 96 CD LYS A 14 -6.478 6.772 -2.499 1.00 87.34 C +ATOM 97 CE LYS A 14 -7.993 6.824 -2.480 1.00 83.46 C +ATOM 98 NZ LYS A 14 -8.506 8.032 -3.142 1.00 80.16 N +HETATM 99 N HYP A 15 -1.872 3.764 -2.534 1.00 94.47 N +HETATM 100 CA HYP A 15 -0.461 3.798 -2.856 1.00 94.73 C +HETATM 101 C HYP A 15 0.077 5.232 -3.003 1.00 95.73 C +HETATM 102 O HYP A 15 -0.696 6.138 -3.414 1.00 95.18 O +HETATM 103 CB HYP A 15 -0.396 3.089 -4.235 1.00 94.43 C +HETATM 104 CG HYP A 15 -1.608 2.193 -4.227 1.00 91.51 C +HETATM 105 CD HYP A 15 -2.641 2.974 -3.512 1.00 93.63 C +HETATM 106 OD1 HYP A 15 -1.363 0.995 -3.565 1.00 92.44 O +ATOM 107 N GLY A 16 1.291 5.434 -2.655 1.00 97.31 N +ATOM 108 CA GLY A 16 1.885 6.739 -2.813 1.00 96.87 C +ATOM 109 C GLY A 16 2.123 7.034 -4.288 1.00 97.24 C +ATOM 110 O GLY A 16 2.010 6.145 -5.136 1.00 97.51 O +ATOM 111 N PRO A 17 2.460 8.293 -4.617 1.00 97.20 N +ATOM 112 CA PRO A 17 2.704 8.674 -6.004 1.00 97.06 C +ATOM 113 C PRO A 17 3.996 8.056 -6.533 1.00 97.24 C +ATOM 114 O PRO A 17 4.903 7.739 -5.766 1.00 96.67 O +ATOM 115 CB PRO A 17 2.789 10.198 -5.952 1.00 96.06 C +ATOM 116 CG PRO A 17 3.304 10.463 -4.574 1.00 94.67 C +ATOM 117 CD PRO A 17 2.620 9.427 -3.715 1.00 96.61 C +HETATM 118 N HYP A 18 4.105 7.895 -7.858 1.00 96.87 N +HETATM 119 CA HYP A 18 5.319 7.440 -8.495 1.00 96.79 C +HETATM 120 C HYP A 18 6.505 8.373 -8.237 1.00 95.75 C +HETATM 121 O HYP A 18 6.324 9.603 -8.167 1.00 96.98 O +HETATM 122 CB HYP A 18 4.957 7.398 -9.986 1.00 95.61 C +HETATM 123 CG HYP A 18 3.469 7.179 -10.008 1.00 94.29 C +HETATM 124 CD HYP A 18 2.992 7.982 -8.819 1.00 95.48 C +HETATM 125 OD1 HYP A 18 3.133 5.843 -9.841 1.00 94.07 O +ATOM 126 N GLY A 19 7.666 7.799 -8.071 1.00 96.93 N +ATOM 127 CA GLY A 19 8.852 8.594 -7.860 1.00 96.38 C +ATOM 128 C GLY A 19 9.250 9.313 -9.141 1.00 96.62 C +ATOM 129 O GLY A 19 8.700 9.043 -10.210 1.00 96.83 O +ATOM 130 N PRO A 20 10.225 10.224 -9.050 1.00 97.04 N +ATOM 131 CA PRO A 20 10.687 10.964 -10.224 1.00 96.68 C +ATOM 132 C PRO A 20 11.472 10.055 -11.163 1.00 96.71 C +ATOM 133 O PRO A 20 11.991 9.018 -10.754 1.00 95.97 O +ATOM 134 CB PRO A 20 11.570 12.061 -9.629 1.00 95.21 C +ATOM 135 CG PRO A 20 12.099 11.435 -8.377 1.00 93.31 C +ATOM 136 CD PRO A 20 10.936 10.633 -7.850 1.00 95.97 C +HETATM 137 N HYP A 21 11.576 10.451 -12.436 1.00 96.25 N +HETATM 138 CA HYP A 21 12.374 9.724 -13.396 1.00 95.56 C +HETATM 139 C HYP A 21 13.840 9.619 -13.016 1.00 96.76 C +HETATM 140 O HYP A 21 14.397 10.544 -12.422 1.00 96.58 O +HETATM 141 CB HYP A 21 12.220 10.548 -14.688 1.00 95.20 C +HETATM 142 CG HYP A 21 10.920 11.272 -14.557 1.00 94.73 C +HETATM 143 CD HYP A 21 10.851 11.560 -13.082 1.00 94.89 C +HETATM 144 OD1 HYP A 21 9.836 10.472 -14.930 1.00 93.43 O +ATOM 145 N GLY A 22 14.469 8.481 -13.300 1.00 96.31 N +ATOM 146 CA GLY A 22 15.868 8.301 -13.018 1.00 96.09 C +ATOM 147 C GLY A 22 16.708 9.134 -13.974 1.00 96.42 C +ATOM 148 O GLY A 22 16.180 9.737 -14.911 1.00 96.67 O +ATOM 149 N PRO A 23 18.025 9.167 -13.792 1.00 96.90 N +ATOM 150 CA PRO A 23 18.906 9.928 -14.669 1.00 96.98 C +ATOM 151 C PRO A 23 18.942 9.328 -16.070 1.00 97.14 C +ATOM 152 O PRO A 23 18.679 8.139 -16.246 1.00 96.55 O +ATOM 153 CB PRO A 23 20.258 9.856 -13.970 1.00 95.45 C +ATOM 154 CG PRO A 23 20.185 8.579 -13.201 1.00 93.05 C +ATOM 155 CD PRO A 23 18.760 8.506 -12.729 1.00 95.55 C +HETATM 156 N HYP A 24 19.306 10.158 -17.101 1.00 94.79 N +HETATM 157 CA HYP A 24 19.396 9.683 -18.443 1.00 94.99 C +HETATM 158 C HYP A 24 20.340 8.561 -18.609 1.00 94.35 C +HETATM 159 O HYP A 24 21.385 8.505 -17.952 1.00 94.36 O +HETATM 160 CB HYP A 24 19.805 10.991 -19.211 1.00 92.99 C +HETATM 161 CG HYP A 24 19.284 12.117 -18.392 1.00 91.79 C +HETATM 162 CD HYP A 24 19.454 11.614 -16.972 1.00 91.73 C +HETATM 163 OD1 HYP A 24 17.926 12.369 -18.656 1.00 91.24 O +ATOM 164 N GLY A 25 19.959 7.531 -19.504 1.00 94.29 N +ATOM 165 CA GLY A 25 20.660 6.277 -19.664 1.00 93.27 C +ATOM 166 C GLY A 25 22.078 6.364 -20.193 1.00 92.89 C +ATOM 167 O GLY A 25 22.833 5.403 -20.035 1.00 90.95 O +ATOM 168 N GLY A 26 22.467 7.436 -20.810 1.00 87.44 N +ATOM 169 CA GLY A 26 23.831 7.564 -21.311 1.00 81.93 C +ATOM 170 C GLY A 26 24.059 6.843 -22.638 1.00 77.54 C +ATOM 171 O GLY A 26 24.723 5.809 -22.649 1.00 73.95 O +ATOM 172 OXT GLY A 26 23.624 7.348 -23.698 1.00 73.23 O +TER 173 GLY A 26 +END diff --git a/protein_pdb_381.txt b/protein_pdb_381.txt new file mode 100644 index 0000000000000000000000000000000000000000..4e02edf771e84cffb37d2a9f885cbf97e016bca3 --- /dev/null +++ b/protein_pdb_381.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -26.044 -2.070 27.638 1.00 88.31 N +ATOM 2 CA GLY A 1 -25.023 -3.093 27.424 1.00 90.64 C +ATOM 3 C GLY A 1 -23.695 -2.467 27.064 1.00 91.33 C +ATOM 4 O GLY A 1 -23.628 -1.276 26.766 1.00 88.34 O +ATOM 5 N PRO A 2 -22.624 -3.236 27.076 1.00 92.61 N +ATOM 6 CA PRO A 2 -21.303 -2.707 26.736 1.00 93.79 C +ATOM 7 C PRO A 2 -21.200 -2.359 25.260 1.00 94.23 C +ATOM 8 O PRO A 2 -21.939 -2.886 24.433 1.00 92.27 O +ATOM 9 CB PRO A 2 -20.347 -3.834 27.115 1.00 91.42 C +ATOM 10 CG PRO A 2 -21.178 -5.059 26.935 1.00 88.94 C +ATOM 11 CD PRO A 2 -22.555 -4.653 27.420 1.00 91.10 C +HETATM 12 N HYP A 3 -20.339 -1.473 24.944 1.00 94.67 N +HETATM 13 CA HYP A 3 -20.041 -1.125 23.558 1.00 94.75 C +HETATM 14 C HYP A 3 -19.620 -2.312 22.749 1.00 95.25 C +HETATM 15 O HYP A 3 -19.012 -3.265 23.266 1.00 93.25 O +HETATM 16 CB HYP A 3 -18.915 -0.125 23.694 1.00 93.96 C +HETATM 17 CG HYP A 3 -18.989 0.390 25.075 1.00 92.50 C +HETATM 18 CD HYP A 3 -19.497 -0.784 25.866 1.00 94.37 C +HETATM 19 OD1 HYP A 3 -19.868 1.469 25.183 1.00 92.60 O +ATOM 20 N GLY A 4 -19.950 -2.302 21.454 1.00 94.90 N +ATOM 21 CA GLY A 4 -19.548 -3.367 20.575 1.00 94.15 C +ATOM 22 C GLY A 4 -18.050 -3.300 20.311 1.00 94.34 C +ATOM 23 O GLY A 4 -17.389 -2.324 20.684 1.00 93.57 O +ATOM 24 N PRO A 5 -17.508 -4.319 19.668 1.00 95.50 N +ATOM 25 CA PRO A 5 -16.073 -4.336 19.381 1.00 95.38 C +ATOM 26 C PRO A 5 -15.702 -3.291 18.342 1.00 95.51 C +ATOM 27 O PRO A 5 -16.533 -2.860 17.550 1.00 94.75 O +ATOM 28 CB PRO A 5 -15.820 -5.759 18.885 1.00 93.97 C +ATOM 29 CG PRO A 5 -17.123 -6.143 18.276 1.00 92.57 C +ATOM 30 CD PRO A 5 -18.168 -5.531 19.191 1.00 94.26 C +HETATM 31 N HYP A 6 -14.484 -2.868 18.343 1.00 93.69 N +HETATM 32 CA HYP A 6 -13.960 -1.974 17.310 1.00 94.75 C +HETATM 33 C HYP A 6 -14.081 -2.524 15.943 1.00 94.66 C +HETATM 34 O HYP A 6 -14.031 -3.757 15.754 1.00 92.06 O +HETATM 35 CB HYP A 6 -12.490 -1.805 17.721 1.00 91.21 C +HETATM 36 CG HYP A 6 -12.452 -2.101 19.168 1.00 90.13 C +HETATM 37 CD HYP A 6 -13.512 -3.156 19.314 1.00 91.06 C +HETATM 38 OD1 HYP A 6 -12.792 -0.971 19.918 1.00 90.77 O +ATOM 39 N GLY A 7 -14.298 -1.663 14.928 1.00 95.01 N +ATOM 40 CA GLY A 7 -14.418 -2.096 13.555 1.00 94.16 C +ATOM 41 C GLY A 7 -13.084 -2.632 13.046 1.00 94.22 C +ATOM 42 O GLY A 7 -12.051 -2.503 13.704 1.00 93.62 O +ATOM 43 N PRO A 8 -13.101 -3.225 11.859 1.00 95.52 N +ATOM 44 CA PRO A 8 -11.871 -3.780 11.298 1.00 95.36 C +ATOM 45 C PRO A 8 -10.909 -2.678 10.875 1.00 95.21 C +ATOM 46 O PRO A 8 -11.314 -1.555 10.600 1.00 93.94 O +ATOM 47 CB PRO A 8 -12.364 -4.586 10.102 1.00 94.14 C +ATOM 48 CG PRO A 8 -13.602 -3.856 9.689 1.00 93.25 C +ATOM 49 CD PRO A 8 -14.241 -3.444 10.994 1.00 94.86 C +HETATM 50 N HYP A 9 -9.670 -2.963 10.785 1.00 94.17 N +HETATM 51 CA HYP A 9 -8.636 -2.072 10.324 1.00 93.69 C +HETATM 52 C HYP A 9 -8.828 -1.659 8.929 1.00 93.95 C +HETATM 53 O HYP A 9 -9.346 -2.427 8.117 1.00 90.20 O +HETATM 54 CB HYP A 9 -7.323 -2.882 10.454 1.00 89.28 C +HETATM 55 CG HYP A 9 -7.635 -3.843 11.522 1.00 89.89 C +HETATM 56 CD HYP A 9 -9.077 -4.149 11.301 1.00 92.84 C +HETATM 57 OD1 HYP A 9 -7.463 -3.281 12.791 1.00 89.19 O +ATOM 58 N GLY A 10 -8.452 -0.437 8.583 1.00 92.83 N +ATOM 59 CA GLY A 10 -8.562 0.050 7.231 1.00 91.77 C +ATOM 60 C GLY A 10 -7.592 -0.682 6.316 1.00 91.75 C +ATOM 61 O GLY A 10 -6.667 -1.359 6.775 1.00 90.16 O +ATOM 62 N HIS A 11 -7.800 -0.545 5.026 1.00 90.49 N +ATOM 63 CA HIS A 11 -6.926 -1.175 4.037 1.00 89.96 C +ATOM 64 C HIS A 11 -5.650 -0.370 3.852 1.00 89.03 C +ATOM 65 O HIS A 11 -5.612 0.832 4.087 1.00 85.48 O +ATOM 66 CB HIS A 11 -7.634 -1.294 2.688 1.00 87.45 C +ATOM 67 CG HIS A 11 -8.832 -2.183 2.721 1.00 84.17 C +ATOM 68 ND1 HIS A 11 -10.112 -1.711 2.533 1.00 78.77 N +ATOM 69 CD2 HIS A 11 -8.935 -3.508 2.912 1.00 76.44 C +ATOM 70 CE1 HIS A 11 -10.957 -2.724 2.611 1.00 77.19 C +ATOM 71 NE2 HIS A 11 -10.272 -3.833 2.844 1.00 78.28 N +ATOM 72 N CYS A 12 -4.599 -1.063 3.403 1.00 89.68 N +ATOM 73 CA CYS A 12 -3.347 -0.392 3.097 1.00 89.16 C +ATOM 74 C CYS A 12 -3.608 0.546 1.924 1.00 89.43 C +ATOM 75 O CYS A 12 -4.450 0.260 1.072 1.00 86.08 O +ATOM 76 CB CYS A 12 -2.270 -1.419 2.730 1.00 84.89 C +ATOM 77 SG CYS A 12 -0.637 -0.710 2.499 1.00 77.96 S +ATOM 78 N GLY A 13 -2.916 1.666 1.892 1.00 88.76 N +ATOM 79 CA GLY A 13 -3.088 2.613 0.804 1.00 90.01 C +ATOM 80 C GLY A 13 -2.650 2.050 -0.533 1.00 91.74 C +ATOM 81 O GLY A 13 -2.049 0.978 -0.604 1.00 91.41 O +ATOM 82 N PRO A 14 -2.943 2.761 -1.621 1.00 88.33 N +ATOM 83 CA PRO A 14 -2.577 2.289 -2.953 1.00 90.27 C +ATOM 84 C PRO A 14 -1.069 2.337 -3.167 1.00 91.11 C +ATOM 85 O PRO A 14 -0.361 3.077 -2.491 1.00 90.58 O +ATOM 86 CB PRO A 14 -3.312 3.255 -3.885 1.00 88.72 C +ATOM 87 CG PRO A 14 -3.385 4.510 -3.086 1.00 85.87 C +ATOM 88 CD PRO A 14 -3.652 4.035 -1.678 1.00 86.73 C +HETATM 89 N HYP A 15 -0.588 1.581 -4.134 1.00 92.97 N +HETATM 90 CA HYP A 15 0.810 1.587 -4.494 1.00 92.26 C +HETATM 91 C HYP A 15 1.290 2.928 -4.949 1.00 93.78 C +HETATM 92 O HYP A 15 0.521 3.688 -5.524 1.00 88.32 O +HETATM 93 CB HYP A 15 0.867 0.618 -5.659 1.00 90.32 C +HETATM 94 CG HYP A 15 -0.325 -0.272 -5.458 1.00 87.35 C +HETATM 95 CD HYP A 15 -1.331 0.637 -4.896 1.00 90.67 C +HETATM 96 OD1 HYP A 15 -0.058 -1.308 -4.567 1.00 89.97 O +ATOM 97 N GLY A 16 2.501 3.264 -4.644 1.00 94.33 N +ATOM 98 CA GLY A 16 3.059 4.513 -5.089 1.00 93.35 C +ATOM 99 C GLY A 16 3.290 4.474 -6.597 1.00 93.94 C +ATOM 100 O GLY A 16 3.194 3.411 -7.220 1.00 93.62 O +ATOM 101 N PRO A 17 3.591 5.626 -7.186 1.00 93.81 N +ATOM 102 CA PRO A 17 3.821 5.664 -8.627 1.00 93.45 C +ATOM 103 C PRO A 17 5.120 4.958 -9.001 1.00 93.33 C +ATOM 104 O PRO A 17 6.018 4.813 -8.183 1.00 91.83 O +ATOM 105 CB PRO A 17 3.874 7.162 -8.934 1.00 91.65 C +ATOM 106 CG PRO A 17 4.382 7.754 -7.661 1.00 90.68 C +ATOM 107 CD PRO A 17 3.715 6.946 -6.580 1.00 92.12 C +HETATM 108 N HYP A 18 5.237 4.517 -10.255 1.00 94.99 N +HETATM 109 CA HYP A 18 6.454 3.941 -10.754 1.00 94.36 C +HETATM 110 C HYP A 18 7.615 4.892 -10.708 1.00 94.97 C +HETATM 111 O HYP A 18 7.444 6.109 -10.848 1.00 92.78 O +HETATM 112 CB HYP A 18 6.112 3.598 -12.197 1.00 93.46 C +HETATM 113 CG HYP A 18 4.622 3.436 -12.227 1.00 91.88 C +HETATM 114 CD HYP A 18 4.163 4.432 -11.210 1.00 93.01 C +HETATM 115 OD1 HYP A 18 4.242 2.148 -11.836 1.00 91.36 O +ATOM 116 N GLY A 19 8.795 4.374 -10.418 1.00 94.14 N +ATOM 117 CA GLY A 19 9.974 5.197 -10.369 1.00 93.57 C +ATOM 118 C GLY A 19 10.321 5.689 -11.766 1.00 94.24 C +ATOM 119 O GLY A 19 9.745 5.234 -12.758 1.00 93.80 O +ATOM 120 N PRO A 20 11.270 6.604 -11.865 1.00 94.70 N +ATOM 121 CA PRO A 20 11.662 7.125 -13.171 1.00 94.27 C +ATOM 122 C PRO A 20 12.447 6.081 -13.957 1.00 94.14 C +ATOM 123 O PRO A 20 12.988 5.137 -13.387 1.00 92.37 O +ATOM 124 CB PRO A 20 12.523 8.340 -12.814 1.00 92.42 C +ATOM 125 CG PRO A 20 13.112 7.964 -11.498 1.00 90.95 C +ATOM 126 CD PRO A 20 12.000 7.240 -10.776 1.00 93.40 C +HETATM 127 N HYP A 21 12.536 6.224 -15.263 1.00 94.96 N +HETATM 128 CA HYP A 21 13.312 5.365 -16.105 1.00 93.99 C +HETATM 129 C HYP A 21 14.767 5.341 -15.749 1.00 96.05 C +HETATM 130 O HYP A 21 15.299 6.346 -15.287 1.00 93.96 O +HETATM 131 CB HYP A 21 13.135 5.953 -17.494 1.00 93.36 C +HETATM 132 CG HYP A 21 11.814 6.672 -17.449 1.00 92.78 C +HETATM 133 CD HYP A 21 11.769 7.178 -16.043 1.00 93.83 C +HETATM 134 OD1 HYP A 21 10.740 5.778 -17.668 1.00 91.37 O +ATOM 135 N GLY A 22 15.431 4.214 -15.856 1.00 91.44 N +ATOM 136 CA GLY A 22 16.833 4.110 -15.555 1.00 90.55 C +ATOM 137 C GLY A 22 17.646 4.908 -16.564 1.00 91.34 C +ATOM 138 O GLY A 22 17.111 5.374 -17.573 1.00 90.43 O +ATOM 139 N PRO A 23 18.947 5.050 -16.349 1.00 90.70 N +ATOM 140 CA PRO A 23 19.785 5.802 -17.275 1.00 90.75 C +ATOM 141 C PRO A 23 19.946 5.060 -18.591 1.00 89.90 C +ATOM 142 O PRO A 23 19.854 3.837 -18.643 1.00 86.26 O +ATOM 143 CB PRO A 23 21.104 5.953 -16.527 1.00 87.14 C +ATOM 144 CG PRO A 23 21.143 4.735 -15.664 1.00 83.98 C +ATOM 145 CD PRO A 23 19.716 4.548 -15.218 1.00 87.67 C +HETATM 146 N HYP A 24 20.283 5.763 -19.654 1.00 91.67 N +HETATM 147 CA HYP A 24 20.441 5.105 -20.929 1.00 89.53 C +HETATM 148 C HYP A 24 21.661 4.232 -20.943 1.00 90.55 C +HETATM 149 O HYP A 24 22.656 4.624 -20.333 1.00 87.82 O +HETATM 150 CB HYP A 24 20.661 6.297 -21.939 1.00 90.69 C +HETATM 151 CG HYP A 24 20.197 7.522 -21.221 1.00 88.95 C +HETATM 152 CD HYP A 24 20.333 7.192 -19.739 1.00 91.17 C +HETATM 153 OD1 HYP A 24 18.821 7.722 -21.515 1.00 85.76 O +HETATM 154 OXT HYP A 24 21.584 3.163 -21.607 1.00 83.59 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_382.txt b/protein_pdb_382.txt new file mode 100644 index 0000000000000000000000000000000000000000..d88d3cba41b21f1577e4bf79276b1d4122d56ac4 --- /dev/null +++ b/protein_pdb_382.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 19.511 -28.042 -10.335 1.00 85.70 N +ATOM 2 CA GLY A 1 20.098 -26.705 -10.321 1.00 88.62 C +ATOM 3 C GLY A 1 19.525 -25.859 -9.208 1.00 89.64 C +ATOM 4 O GLY A 1 18.584 -26.280 -8.529 1.00 86.59 O +ATOM 5 N PRO A 2 20.048 -24.668 -8.985 1.00 90.92 N +ATOM 6 CA PRO A 2 19.542 -23.801 -7.928 1.00 93.28 C +ATOM 7 C PRO A 2 18.143 -23.295 -8.232 1.00 93.60 C +ATOM 8 O PRO A 2 17.745 -23.191 -9.388 1.00 91.88 O +ATOM 9 CB PRO A 2 20.550 -22.644 -7.883 1.00 91.59 C +ATOM 10 CG PRO A 2 21.103 -22.603 -9.257 1.00 88.77 C +ATOM 11 CD PRO A 2 21.140 -24.042 -9.731 1.00 90.72 C +HETATM 12 N HYP A 3 17.436 -23.053 -7.266 1.00 92.07 N +HETATM 13 CA HYP A 3 16.071 -22.437 -7.347 1.00 90.56 C +HETATM 14 C HYP A 3 16.068 -21.085 -8.062 1.00 91.88 C +HETATM 15 O HYP A 3 17.047 -20.330 -7.976 1.00 94.04 O +HETATM 16 CB HYP A 3 15.681 -22.322 -5.897 1.00 90.16 C +HETATM 17 CG HYP A 3 16.487 -23.341 -5.147 1.00 87.61 C +HETATM 18 CD HYP A 3 17.824 -23.320 -5.890 1.00 89.56 C +HETATM 19 OD1 HYP A 3 15.921 -24.621 -5.234 1.00 92.61 O +ATOM 20 N GLY A 4 14.976 -20.771 -8.726 1.00 92.22 N +ATOM 21 CA GLY A 4 14.826 -19.493 -9.371 1.00 91.47 C +ATOM 22 C GLY A 4 14.582 -18.390 -8.350 1.00 91.34 C +ATOM 23 O GLY A 4 14.372 -18.655 -7.164 1.00 90.87 O +ATOM 24 N PRO A 5 14.607 -17.132 -8.790 1.00 94.34 N +ATOM 25 CA PRO A 5 14.400 -16.012 -7.878 1.00 94.49 C +ATOM 26 C PRO A 5 12.958 -15.941 -7.393 1.00 94.40 C +ATOM 27 O PRO A 5 12.042 -16.430 -8.052 1.00 93.59 O +ATOM 28 CB PRO A 5 14.772 -14.794 -8.712 1.00 93.20 C +ATOM 29 CG PRO A 5 14.471 -15.226 -10.108 1.00 91.28 C +ATOM 30 CD PRO A 5 14.822 -16.693 -10.154 1.00 93.03 C +HETATM 31 N HYP A 6 12.786 -15.340 -6.262 1.00 94.28 N +HETATM 32 CA HYP A 6 11.432 -15.073 -5.721 1.00 94.16 C +HETATM 33 C HYP A 6 10.603 -14.182 -6.631 1.00 93.85 C +HETATM 34 O HYP A 6 11.153 -13.328 -7.339 1.00 94.49 O +HETATM 35 CB HYP A 6 11.742 -14.385 -4.378 1.00 91.10 C +HETATM 36 CG HYP A 6 13.128 -14.819 -3.992 1.00 90.94 C +HETATM 37 CD HYP A 6 13.822 -14.922 -5.325 1.00 91.14 C +HETATM 38 OD1 HYP A 6 13.096 -16.074 -3.345 1.00 91.55 O +ATOM 39 N GLY A 7 9.287 -14.343 -6.574 1.00 93.52 N +ATOM 40 CA GLY A 7 8.391 -13.492 -7.313 1.00 92.76 C +ATOM 41 C GLY A 7 8.347 -12.092 -6.728 1.00 92.63 C +ATOM 42 O GLY A 7 8.928 -11.820 -5.679 1.00 91.99 O +ATOM 43 N PRO A 8 7.635 -11.178 -7.388 1.00 93.04 N +ATOM 44 CA PRO A 8 7.554 -9.802 -6.910 1.00 92.67 C +ATOM 45 C PRO A 8 6.748 -9.698 -5.625 1.00 92.83 C +ATOM 46 O PRO A 8 5.848 -10.501 -5.379 1.00 91.50 O +ATOM 47 CB PRO A 8 6.878 -9.055 -8.057 1.00 91.16 C +ATOM 48 CG PRO A 8 6.076 -10.114 -8.730 1.00 90.11 C +ATOM 49 CD PRO A 8 6.886 -11.381 -8.610 1.00 92.03 C +HETATM 50 N HYP A 9 7.033 -8.683 -4.833 1.00 92.07 N +HETATM 51 CA HYP A 9 6.298 -8.431 -3.610 1.00 93.29 C +HETATM 52 C HYP A 9 4.873 -8.021 -3.907 1.00 91.15 C +HETATM 53 O HYP A 9 4.586 -7.404 -4.986 1.00 90.64 O +HETATM 54 CB HYP A 9 7.033 -7.183 -3.008 1.00 87.39 C +HETATM 55 CG HYP A 9 8.404 -7.223 -3.587 1.00 87.78 C +HETATM 56 CD HYP A 9 8.178 -7.788 -4.959 1.00 90.21 C +HETATM 57 OD1 HYP A 9 9.210 -8.085 -2.817 1.00 89.84 O +ATOM 58 N GLY A 10 3.973 -8.231 -2.950 1.00 90.77 N +ATOM 59 CA GLY A 10 2.618 -7.749 -3.068 1.00 88.78 C +ATOM 60 C GLY A 10 2.580 -6.232 -3.027 1.00 88.28 C +ATOM 61 O GLY A 10 3.392 -5.586 -2.353 1.00 85.12 O +ATOM 62 N GLY A 11 1.636 -5.669 -3.757 1.00 90.02 N +ATOM 63 CA GLY A 11 1.508 -4.224 -3.787 1.00 88.84 C +ATOM 64 C GLY A 11 0.892 -3.693 -2.503 1.00 89.12 C +ATOM 65 O GLY A 11 0.136 -4.382 -1.821 1.00 85.99 O +ATOM 66 N LYS A 12 1.226 -2.448 -2.176 1.00 86.38 N +ATOM 67 CA LYS A 12 0.636 -1.799 -1.008 1.00 86.32 C +ATOM 68 C LYS A 12 -0.811 -1.441 -1.319 1.00 86.94 C +ATOM 69 O LYS A 12 -1.137 -1.056 -2.439 1.00 83.15 O +ATOM 70 CB LYS A 12 1.444 -0.539 -0.648 1.00 81.07 C +ATOM 71 CG LYS A 12 0.920 0.201 0.573 1.00 77.90 C +ATOM 72 CD LYS A 12 1.837 1.358 0.970 1.00 74.64 C +ATOM 73 CE LYS A 12 1.215 2.236 2.039 1.00 71.27 C +ATOM 74 NZ LYS A 12 0.911 1.486 3.283 1.00 67.50 N +ATOM 75 N GLY A 13 -1.656 -1.593 -0.309 1.00 89.99 N +ATOM 76 CA GLY A 13 -3.062 -1.280 -0.488 1.00 89.11 C +ATOM 77 C GLY A 13 -3.292 0.199 -0.743 1.00 89.63 C +ATOM 78 O GLY A 13 -2.384 1.023 -0.599 1.00 88.71 O +ATOM 79 N PRO A 14 -4.526 0.577 -1.127 1.00 90.32 N +ATOM 80 CA PRO A 14 -4.836 1.978 -1.398 1.00 91.15 C +ATOM 81 C PRO A 14 -4.793 2.819 -0.137 1.00 91.94 C +ATOM 82 O PRO A 14 -4.896 2.303 0.973 1.00 89.35 O +ATOM 83 CB PRO A 14 -6.246 1.926 -1.985 1.00 89.33 C +ATOM 84 CG PRO A 14 -6.827 0.679 -1.411 1.00 88.89 C +ATOM 85 CD PRO A 14 -5.682 -0.289 -1.312 1.00 90.71 C +HETATM 86 N HYP A 15 -4.643 4.148 -0.278 1.00 89.27 N +HETATM 87 CA HYP A 15 -4.672 5.086 0.789 1.00 87.38 C +HETATM 88 C HYP A 15 -5.984 5.058 1.576 1.00 89.67 C +HETATM 89 O HYP A 15 -7.009 4.637 1.027 1.00 87.82 O +HETATM 90 CB HYP A 15 -4.445 6.403 0.052 1.00 83.91 C +HETATM 91 CG HYP A 15 -3.664 6.004 -1.156 1.00 79.68 C +HETATM 92 CD HYP A 15 -4.281 4.702 -1.517 1.00 83.49 C +HETATM 93 OD1 HYP A 15 -2.304 5.834 -0.867 1.00 87.19 O +ATOM 94 N GLY A 16 -5.917 5.399 2.820 1.00 94.01 N +ATOM 95 CA GLY A 16 -7.102 5.450 3.636 1.00 93.26 C +ATOM 96 C GLY A 16 -8.023 6.581 3.218 1.00 94.02 C +ATOM 97 O GLY A 16 -7.666 7.413 2.380 1.00 93.78 O +ATOM 98 N PRO A 17 -9.231 6.621 3.790 1.00 91.50 N +ATOM 99 CA PRO A 17 -10.195 7.655 3.435 1.00 91.58 C +ATOM 100 C PRO A 17 -9.768 9.026 3.945 1.00 92.13 C +ATOM 101 O PRO A 17 -9.006 9.140 4.896 1.00 91.54 O +ATOM 102 CB PRO A 17 -11.483 7.191 4.107 1.00 90.46 C +ATOM 103 CG PRO A 17 -11.005 6.399 5.271 1.00 88.76 C +ATOM 104 CD PRO A 17 -9.750 5.712 4.798 1.00 90.05 C +HETATM 105 N HYP A 18 -10.243 10.069 3.359 1.00 90.66 N +HETATM 106 CA HYP A 18 -10.066 11.444 3.777 1.00 91.29 C +HETATM 107 C HYP A 18 -10.669 11.703 5.161 1.00 91.16 C +HETATM 108 O HYP A 18 -11.606 11.004 5.601 1.00 93.64 O +HETATM 109 CB HYP A 18 -10.817 12.216 2.719 1.00 89.82 C +HETATM 110 CG HYP A 18 -10.792 11.356 1.517 1.00 84.83 C +HETATM 111 CD HYP A 18 -10.894 9.973 2.108 1.00 87.46 C +HETATM 112 OD1 HYP A 18 -9.578 11.479 0.815 1.00 92.62 O +ATOM 113 N GLY A 19 -10.141 12.662 5.858 1.00 94.11 N +ATOM 114 CA GLY A 19 -10.666 13.060 7.133 1.00 93.37 C +ATOM 115 C GLY A 19 -12.019 13.729 6.982 1.00 93.03 C +ATOM 116 O GLY A 19 -12.488 13.982 5.872 1.00 92.59 O +ATOM 117 N PRO A 20 -12.672 14.036 8.109 1.00 90.51 N +ATOM 118 CA PRO A 20 -13.989 14.665 8.060 1.00 89.38 C +ATOM 119 C PRO A 20 -13.913 16.093 7.544 1.00 89.43 C +ATOM 120 O PRO A 20 -12.878 16.743 7.623 1.00 88.42 O +ATOM 121 CB PRO A 20 -14.453 14.618 9.521 1.00 87.01 C +ATOM 122 CG PRO A 20 -13.190 14.604 10.297 1.00 84.42 C +ATOM 123 CD PRO A 20 -12.216 13.803 9.468 1.00 86.29 C +HETATM 124 N HYP A 21 -15.031 16.641 7.048 1.00 92.58 N +HETATM 125 CA HYP A 21 -15.137 17.977 6.562 1.00 91.75 C +HETATM 126 C HYP A 21 -14.988 19.041 7.663 1.00 91.59 C +HETATM 127 O HYP A 21 -15.310 18.729 8.830 1.00 93.59 O +HETATM 128 CB HYP A 21 -16.611 18.048 6.054 1.00 90.53 C +HETATM 129 CG HYP A 21 -16.961 16.661 5.710 1.00 87.70 C +HETATM 130 CD HYP A 21 -16.222 15.858 6.761 1.00 89.99 C +HETATM 131 OD1 HYP A 21 -16.460 16.338 4.435 1.00 90.71 O +ATOM 132 N GLY A 22 -14.439 20.169 7.357 1.00 90.64 N +ATOM 133 CA GLY A 22 -14.321 21.250 8.290 1.00 89.16 C +ATOM 134 C GLY A 22 -15.688 21.822 8.637 1.00 89.54 C +ATOM 135 O GLY A 22 -16.706 21.416 8.068 1.00 88.16 O +ATOM 136 N PRO A 23 -15.743 22.811 9.548 1.00 89.94 N +ATOM 137 CA PRO A 23 -17.022 23.395 9.937 1.00 90.26 C +ATOM 138 C PRO A 23 -17.620 24.212 8.808 1.00 90.24 C +ATOM 139 O PRO A 23 -16.905 24.748 7.970 1.00 86.89 O +ATOM 140 CB PRO A 23 -16.665 24.264 11.140 1.00 87.18 C +ATOM 141 CG PRO A 23 -15.237 24.605 10.923 1.00 83.68 C +ATOM 142 CD PRO A 23 -14.626 23.394 10.265 1.00 87.03 C +HETATM 143 N HYP A 24 -18.973 24.386 8.821 1.00 90.56 N +HETATM 144 CA HYP A 24 -19.550 25.213 7.751 1.00 90.93 C +HETATM 145 C HYP A 24 -19.225 26.682 8.093 1.00 91.06 C +HETATM 146 O HYP A 24 -19.415 27.533 7.297 1.00 91.52 O +HETATM 147 CB HYP A 24 -21.124 25.091 8.047 1.00 90.56 C +HETATM 148 CG HYP A 24 -21.305 23.856 8.858 1.00 89.20 C +HETATM 149 CD HYP A 24 -19.985 23.696 9.647 1.00 89.05 C +HETATM 150 OD1 HYP A 24 -21.440 22.752 8.011 1.00 86.58 O +HETATM 151 OXT HYP A 24 -18.775 26.938 9.207 1.00 86.30 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_383.txt b/protein_pdb_383.txt new file mode 100644 index 0000000000000000000000000000000000000000..bac0cf3ef45a3f4cd0c8d9211e5ac25e53ff7815 --- /dev/null +++ b/protein_pdb_383.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 15.005 -31.148 7.777 1.00 90.84 N +ATOM 2 CA GLY A 1 14.443 -30.911 6.447 1.00 92.51 C +ATOM 3 C GLY A 1 14.785 -29.533 5.940 1.00 92.90 C +ATOM 4 O GLY A 1 15.302 -28.702 6.689 1.00 89.71 O +ATOM 5 N PRO A 2 14.498 -29.229 4.681 1.00 94.84 N +ATOM 6 CA PRO A 2 14.790 -27.911 4.123 1.00 95.45 C +ATOM 7 C PRO A 2 13.869 -26.847 4.708 1.00 95.73 C +ATOM 8 O PRO A 2 12.774 -27.152 5.172 1.00 94.07 O +ATOM 9 CB PRO A 2 14.561 -28.088 2.626 1.00 93.62 C +ATOM 10 CG PRO A 2 13.527 -29.159 2.563 1.00 90.79 C +ATOM 11 CD PRO A 2 13.886 -30.102 3.689 1.00 92.66 C +HETATM 12 N HYP A 3 14.341 -25.659 4.733 1.00 95.55 N +HETATM 13 CA HYP A 3 13.519 -24.497 5.141 1.00 94.38 C +HETATM 14 C HYP A 3 12.244 -24.402 4.333 1.00 95.68 C +HETATM 15 O HYP A 3 12.228 -24.706 3.110 1.00 94.46 O +HETATM 16 CB HYP A 3 14.422 -23.295 4.902 1.00 94.19 C +HETATM 17 CG HYP A 3 15.831 -23.827 4.947 1.00 91.97 C +HETATM 18 CD HYP A 3 15.693 -25.217 4.300 1.00 94.75 C +HETATM 19 OD1 HYP A 3 16.282 -23.962 6.260 1.00 93.16 O +ATOM 20 N GLY A 4 11.163 -23.978 4.993 1.00 95.21 N +ATOM 21 CA GLY A 4 9.908 -23.792 4.309 1.00 94.47 C +ATOM 22 C GLY A 4 9.957 -22.583 3.394 1.00 94.50 C +ATOM 23 O GLY A 4 10.906 -21.791 3.446 1.00 93.59 O +ATOM 24 N PRO A 5 8.935 -22.408 2.558 1.00 96.24 N +ATOM 25 CA PRO A 5 8.907 -21.269 1.642 1.00 96.09 C +ATOM 26 C PRO A 5 8.669 -19.963 2.382 1.00 96.20 C +ATOM 27 O PRO A 5 8.138 -19.950 3.492 1.00 95.18 O +ATOM 28 CB PRO A 5 7.754 -21.604 0.690 1.00 94.69 C +ATOM 29 CG PRO A 5 6.839 -22.412 1.545 1.00 92.88 C +ATOM 30 CD PRO A 5 7.758 -23.249 2.409 1.00 94.54 C +HETATM 31 N HYP A 6 9.071 -18.878 1.769 1.00 94.36 N +HETATM 32 CA HYP A 6 8.771 -17.535 2.328 1.00 94.65 C +HETATM 33 C HYP A 6 7.288 -17.306 2.483 1.00 94.75 C +HETATM 34 O HYP A 6 6.489 -17.820 1.655 1.00 94.07 O +HETATM 35 CB HYP A 6 9.380 -16.567 1.255 1.00 91.68 C +HETATM 36 CG HYP A 6 10.484 -17.390 0.591 1.00 89.26 C +HETATM 37 CD HYP A 6 9.884 -18.811 0.573 1.00 92.27 C +HETATM 38 OD1 HYP A 6 11.656 -17.357 1.361 1.00 90.69 O +ATOM 39 N GLY A 7 6.901 -16.581 3.530 1.00 95.93 N +ATOM 40 CA GLY A 7 5.507 -16.278 3.756 1.00 95.45 C +ATOM 41 C GLY A 7 4.982 -15.317 2.701 1.00 95.64 C +ATOM 42 O GLY A 7 5.746 -14.747 1.920 1.00 95.10 O +ATOM 43 N PRO A 8 3.656 -15.122 2.680 1.00 95.80 N +ATOM 44 CA PRO A 8 3.059 -14.212 1.707 1.00 95.95 C +ATOM 45 C PRO A 8 3.387 -12.758 2.021 1.00 95.92 C +ATOM 46 O PRO A 8 3.701 -12.414 3.156 1.00 94.71 O +ATOM 47 CB PRO A 8 1.566 -14.485 1.830 1.00 94.86 C +ATOM 48 CG PRO A 8 1.421 -14.910 3.257 1.00 93.59 C +ATOM 49 CD PRO A 8 2.666 -15.721 3.542 1.00 95.19 C +HETATM 50 N HYP A 9 3.299 -11.887 1.035 1.00 93.69 N +HETATM 51 CA HYP A 9 3.491 -10.469 1.225 1.00 93.95 C +HETATM 52 C HYP A 9 2.455 -9.884 2.169 1.00 95.18 C +HETATM 53 O HYP A 9 1.313 -10.350 2.221 1.00 93.08 O +HETATM 54 CB HYP A 9 3.266 -9.848 -0.233 1.00 92.13 C +HETATM 55 CG HYP A 9 3.686 -10.972 -1.142 1.00 90.77 C +HETATM 56 CD HYP A 9 3.189 -12.206 -0.396 1.00 93.17 C +HETATM 57 OD1 HYP A 9 5.086 -11.012 -1.272 1.00 88.65 O +ATOM 58 N GLY A 10 2.863 -8.901 2.946 1.00 95.00 N +ATOM 59 CA GLY A 10 1.955 -8.253 3.862 1.00 93.89 C +ATOM 60 C GLY A 10 0.851 -7.523 3.123 1.00 93.64 C +ATOM 61 O GLY A 10 0.906 -7.334 1.903 1.00 92.43 O +ATOM 62 N LYS A 11 -0.166 -7.102 3.874 1.00 93.37 N +ATOM 63 CA LYS A 11 -1.286 -6.373 3.279 1.00 92.96 C +ATOM 64 C LYS A 11 -0.818 -5.006 2.769 1.00 92.08 C +ATOM 65 O LYS A 11 0.056 -4.373 3.356 1.00 89.43 O +ATOM 66 CB LYS A 11 -2.409 -6.179 4.297 1.00 89.78 C +ATOM 67 CG LYS A 11 -3.107 -7.465 4.695 1.00 85.14 C +ATOM 68 CD LYS A 11 -4.264 -7.193 5.641 1.00 82.99 C +ATOM 69 CE LYS A 11 -4.990 -8.473 6.020 1.00 77.32 C +ATOM 70 NZ LYS A 11 -6.128 -8.206 6.913 1.00 73.31 N +ATOM 71 N LEU A 12 -1.417 -4.563 1.673 1.00 92.22 N +ATOM 72 CA LEU A 12 -1.110 -3.256 1.113 1.00 91.78 C +ATOM 73 C LEU A 12 -1.554 -2.186 2.111 1.00 92.52 C +ATOM 74 O LEU A 12 -2.632 -2.299 2.698 1.00 88.46 O +ATOM 75 CB LEU A 12 -1.833 -3.074 -0.227 1.00 88.40 C +ATOM 76 CG LEU A 12 -1.571 -1.762 -0.975 1.00 80.39 C +ATOM 77 CD1 LEU A 12 -0.122 -1.663 -1.396 1.00 77.27 C +ATOM 78 CD2 LEU A 12 -2.476 -1.683 -2.204 1.00 75.24 C +ATOM 79 N GLY A 13 -0.702 -1.187 2.312 1.00 93.77 N +ATOM 80 CA GLY A 13 -1.017 -0.123 3.243 1.00 93.58 C +ATOM 81 C GLY A 13 -2.190 0.727 2.792 1.00 94.53 C +ATOM 82 O GLY A 13 -2.673 0.594 1.669 1.00 93.85 O +ATOM 83 N PRO A 14 -2.665 1.632 3.662 1.00 93.60 N +ATOM 84 CA PRO A 14 -3.799 2.483 3.317 1.00 94.46 C +ATOM 85 C PRO A 14 -3.430 3.495 2.240 1.00 94.91 C +ATOM 86 O PRO A 14 -2.263 3.829 2.062 1.00 93.67 O +ATOM 87 CB PRO A 14 -4.149 3.167 4.633 1.00 93.18 C +ATOM 88 CG PRO A 14 -2.841 3.210 5.358 1.00 92.02 C +ATOM 89 CD PRO A 14 -2.177 1.895 5.006 1.00 92.80 C +HETATM 90 N HYP A 15 -4.432 4.006 1.535 1.00 89.07 N +HETATM 91 CA HYP A 15 -4.241 5.062 0.552 1.00 90.57 C +HETATM 92 C HYP A 15 -3.598 6.298 1.156 1.00 93.18 C +HETATM 93 O HYP A 15 -3.769 6.545 2.364 1.00 89.84 O +HETATM 94 CB HYP A 15 -5.690 5.331 0.087 1.00 88.32 C +HETATM 95 CG HYP A 15 -6.389 4.002 0.311 1.00 86.15 C +HETATM 96 CD HYP A 15 -5.775 3.523 1.590 1.00 87.41 C +HETATM 97 OD1 HYP A 15 -6.142 3.088 -0.733 1.00 90.91 O +ATOM 98 N GLY A 16 -2.836 6.991 0.384 1.00 95.34 N +ATOM 99 CA GLY A 16 -2.237 8.218 0.849 1.00 94.77 C +ATOM 100 C GLY A 16 -3.298 9.289 1.055 1.00 95.21 C +ATOM 101 O GLY A 16 -4.471 9.091 0.724 1.00 94.87 O +ATOM 102 N PRO A 17 -2.898 10.451 1.608 1.00 92.53 N +ATOM 103 CA PRO A 17 -3.847 11.529 1.854 1.00 92.95 C +ATOM 104 C PRO A 17 -4.343 12.147 0.554 1.00 93.02 C +ATOM 105 O PRO A 17 -3.681 12.080 -0.468 1.00 91.11 O +ATOM 106 CB PRO A 17 -3.043 12.528 2.677 1.00 90.83 C +ATOM 107 CG PRO A 17 -1.642 12.294 2.241 1.00 89.20 C +ATOM 108 CD PRO A 17 -1.548 10.800 2.031 1.00 91.09 C +HETATM 109 N HYP A 18 -5.515 12.788 0.589 1.00 90.47 N +HETATM 110 CA HYP A 18 -6.054 13.480 -0.548 1.00 92.65 C +HETATM 111 C HYP A 18 -5.147 14.617 -1.024 1.00 92.36 C +HETATM 112 O HYP A 18 -4.459 15.258 -0.209 1.00 93.03 O +HETATM 113 CB HYP A 18 -7.371 14.058 -0.032 1.00 91.41 C +HETATM 114 CG HYP A 18 -7.777 13.171 1.102 1.00 86.66 C +HETATM 115 CD HYP A 18 -6.444 12.792 1.701 1.00 90.87 C +HETATM 116 OD1 HYP A 18 -8.441 12.013 0.651 1.00 91.55 O +ATOM 117 N GLY A 19 -5.116 14.833 -2.304 1.00 94.03 N +ATOM 118 CA GLY A 19 -4.324 15.894 -2.860 1.00 93.48 C +ATOM 119 C GLY A 19 -4.905 17.250 -2.484 1.00 93.90 C +ATOM 120 O GLY A 19 -6.001 17.339 -1.921 1.00 93.38 O +ATOM 121 N PRO A 20 -4.187 18.334 -2.798 1.00 94.03 N +ATOM 122 CA PRO A 20 -4.662 19.670 -2.473 1.00 93.76 C +ATOM 123 C PRO A 20 -5.849 20.061 -3.341 1.00 93.71 C +ATOM 124 O PRO A 20 -6.053 19.514 -4.417 1.00 91.38 O +ATOM 125 CB PRO A 20 -3.445 20.551 -2.749 1.00 91.19 C +ATOM 126 CG PRO A 20 -2.705 19.811 -3.802 1.00 88.82 C +ATOM 127 CD PRO A 20 -2.878 18.353 -3.447 1.00 91.92 C +HETATM 128 N HYP A 21 -6.647 21.038 -2.896 1.00 94.05 N +HETATM 129 CA HYP A 21 -7.756 21.532 -3.653 1.00 93.26 C +HETATM 130 C HYP A 21 -7.364 22.172 -4.983 1.00 94.37 C +HETATM 131 O HYP A 21 -6.277 22.757 -5.068 1.00 93.53 O +HETATM 132 CB HYP A 21 -8.383 22.636 -2.775 1.00 92.88 C +HETATM 133 CG HYP A 21 -7.997 22.262 -1.358 1.00 90.28 C +HETATM 134 CD HYP A 21 -6.612 21.647 -1.544 1.00 93.05 C +HETATM 135 OD1 HYP A 21 -8.874 21.269 -0.845 1.00 91.62 O +ATOM 136 N GLY A 22 -8.151 21.992 -6.007 1.00 90.60 N +ATOM 137 CA GLY A 22 -7.876 22.580 -7.292 1.00 90.19 C +ATOM 138 C GLY A 22 -8.040 24.095 -7.222 1.00 90.82 C +ATOM 139 O GLY A 22 -8.496 24.636 -6.215 1.00 88.89 O +ATOM 140 N PRO A 23 -7.707 24.824 -8.309 1.00 91.01 N +ATOM 141 CA PRO A 23 -7.826 26.282 -8.319 1.00 91.39 C +ATOM 142 C PRO A 23 -9.281 26.706 -8.338 1.00 91.32 C +ATOM 143 O PRO A 23 -10.154 25.974 -8.799 1.00 86.91 O +ATOM 144 CB PRO A 23 -7.095 26.688 -9.595 1.00 87.13 C +ATOM 145 CG PRO A 23 -7.268 25.507 -10.488 1.00 83.22 C +ATOM 146 CD PRO A 23 -7.178 24.311 -9.572 1.00 87.11 C +HETATM 147 N HYP A 24 -9.596 27.960 -7.891 1.00 91.86 N +HETATM 148 CA HYP A 24 -10.964 28.368 -7.900 1.00 87.93 C +HETATM 149 C HYP A 24 -11.505 28.499 -9.330 1.00 90.79 C +HETATM 150 O HYP A 24 -10.710 28.842 -10.201 1.00 88.74 O +HETATM 151 CB HYP A 24 -10.991 29.839 -7.302 1.00 91.13 C +HETATM 152 CG HYP A 24 -9.691 29.974 -6.568 1.00 89.00 C +HETATM 153 CD HYP A 24 -8.727 28.988 -7.279 1.00 90.05 C +HETATM 154 OD1 HYP A 24 -9.860 29.540 -5.228 1.00 84.71 O +HETATM 155 OXT HYP A 24 -12.719 28.255 -9.484 1.00 84.34 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_384.txt b/protein_pdb_384.txt new file mode 100644 index 0000000000000000000000000000000000000000..679c5b73009032375a68aadd1a4e2861ec385bb5 --- /dev/null +++ b/protein_pdb_384.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 27.682 -21.777 2.317 1.00 84.71 N +ATOM 2 CA GLY A 1 26.989 -21.271 3.495 1.00 88.04 C +ATOM 3 C GLY A 1 25.508 -21.098 3.236 1.00 88.03 C +ATOM 4 O GLY A 1 25.056 -21.235 2.099 1.00 85.28 O +ATOM 5 N PRO A 2 24.737 -20.792 4.253 1.00 90.01 N +ATOM 6 CA PRO A 2 23.299 -20.610 4.091 1.00 92.19 C +ATOM 7 C PRO A 2 22.982 -19.330 3.338 1.00 92.43 C +ATOM 8 O PRO A 2 23.796 -18.419 3.269 1.00 90.89 O +ATOM 9 CB PRO A 2 22.781 -20.557 5.530 1.00 89.71 C +ATOM 10 CG PRO A 2 23.935 -19.995 6.283 1.00 86.59 C +ATOM 11 CD PRO A 2 25.149 -20.615 5.639 1.00 88.38 C +HETATM 12 N HYP A 3 21.905 -19.283 2.786 1.00 90.77 N +HETATM 13 CA HYP A 3 21.383 -18.057 2.089 1.00 88.15 C +HETATM 14 C HYP A 3 21.388 -16.863 3.019 1.00 87.65 C +HETATM 15 O HYP A 3 21.238 -17.015 4.232 1.00 89.68 O +HETATM 16 CB HYP A 3 19.966 -18.476 1.723 1.00 86.49 C +HETATM 17 CG HYP A 3 20.000 -19.986 1.628 1.00 85.39 C +HETATM 18 CD HYP A 3 20.953 -20.369 2.776 1.00 88.72 C +HETATM 19 OD1 HYP A 3 20.537 -20.409 0.415 1.00 88.75 O +ATOM 20 N GLY A 4 21.565 -15.700 2.450 1.00 92.70 N +ATOM 21 CA GLY A 4 21.519 -14.498 3.241 1.00 92.15 C +ATOM 22 C GLY A 4 20.102 -14.216 3.706 1.00 91.94 C +ATOM 23 O GLY A 4 19.152 -14.874 3.271 1.00 91.42 O +ATOM 24 N PRO A 5 19.947 -13.239 4.582 1.00 93.40 N +ATOM 25 CA PRO A 5 18.610 -12.908 5.088 1.00 93.68 C +ATOM 26 C PRO A 5 17.752 -12.273 4.009 1.00 93.71 C +ATOM 27 O PRO A 5 18.256 -11.708 3.046 1.00 93.07 O +ATOM 28 CB PRO A 5 18.898 -11.934 6.226 1.00 91.93 C +ATOM 29 CG PRO A 5 20.169 -11.280 5.798 1.00 89.83 C +ATOM 30 CD PRO A 5 20.975 -12.391 5.159 1.00 91.93 C +HETATM 31 N HYP A 6 16.502 -12.386 4.168 1.00 89.79 N +HETATM 32 CA HYP A 6 15.536 -11.692 3.243 1.00 92.55 C +HETATM 33 C HYP A 6 15.749 -10.214 3.257 1.00 91.26 C +HETATM 34 O HYP A 6 16.131 -9.638 4.307 1.00 89.71 O +HETATM 35 CB HYP A 6 14.196 -12.083 3.890 1.00 85.33 C +HETATM 36 CG HYP A 6 14.453 -13.386 4.626 1.00 84.99 C +HETATM 37 CD HYP A 6 15.858 -13.190 5.158 1.00 88.93 C +HETATM 38 OD1 HYP A 6 14.409 -14.485 3.747 1.00 88.04 O +ATOM 39 N GLY A 7 15.500 -9.576 2.127 1.00 93.41 N +ATOM 40 CA GLY A 7 15.612 -8.144 2.038 1.00 92.46 C +ATOM 41 C GLY A 7 14.527 -7.472 2.860 1.00 92.52 C +ATOM 42 O GLY A 7 13.607 -8.127 3.350 1.00 92.08 O +ATOM 43 N PRO A 8 14.616 -6.158 3.002 1.00 92.62 N +ATOM 44 CA PRO A 8 13.616 -5.436 3.786 1.00 92.76 C +ATOM 45 C PRO A 8 12.268 -5.438 3.082 1.00 92.71 C +ATOM 46 O PRO A 8 12.189 -5.521 1.863 1.00 91.63 O +ATOM 47 CB PRO A 8 14.192 -4.028 3.894 1.00 91.25 C +ATOM 48 CG PRO A 8 15.041 -3.910 2.679 1.00 90.57 C +ATOM 49 CD PRO A 8 15.648 -5.277 2.486 1.00 92.49 C +HETATM 50 N HYP A 9 11.224 -5.322 3.813 1.00 90.67 N +HETATM 51 CA HYP A 9 9.879 -5.269 3.269 1.00 91.49 C +HETATM 52 C HYP A 9 9.694 -4.041 2.440 1.00 89.85 C +HETATM 53 O HYP A 9 10.246 -2.955 2.752 1.00 87.59 O +HETATM 54 CB HYP A 9 8.994 -5.149 4.572 1.00 90.37 C +HETATM 55 CG HYP A 9 9.826 -5.824 5.627 1.00 87.43 C +HETATM 56 CD HYP A 9 11.220 -5.418 5.254 1.00 90.07 C +HETATM 57 OD1 HYP A 9 9.689 -7.214 5.513 1.00 86.16 O +ATOM 58 N GLY A 10 8.877 -4.168 1.382 1.00 91.23 N +ATOM 59 CA GLY A 10 8.556 -3.028 0.565 1.00 89.03 C +ATOM 60 C GLY A 10 7.708 -2.042 1.356 1.00 89.45 C +ATOM 61 O GLY A 10 7.099 -2.392 2.371 1.00 88.40 O +ATOM 62 N LEU A 11 7.660 -0.816 0.880 1.00 90.59 N +ATOM 63 CA LEU A 11 6.867 0.216 1.540 1.00 90.26 C +ATOM 64 C LEU A 11 5.388 0.053 1.195 1.00 89.75 C +ATOM 65 O LEU A 11 5.038 -0.282 0.065 1.00 88.02 O +ATOM 66 CB LEU A 11 7.332 1.604 1.123 1.00 87.59 C +ATOM 67 CG LEU A 11 8.770 1.965 1.497 1.00 81.08 C +ATOM 68 CD1 LEU A 11 9.112 3.345 0.963 1.00 79.70 C +ATOM 69 CD2 LEU A 11 8.961 1.915 3.005 1.00 76.54 C +ATOM 70 N LEU A 12 4.544 0.305 2.161 1.00 88.50 N +ATOM 71 CA LEU A 12 3.108 0.248 1.927 1.00 88.81 C +ATOM 72 C LEU A 12 2.715 1.428 1.048 1.00 89.03 C +ATOM 73 O LEU A 12 3.168 2.550 1.278 1.00 85.70 O +ATOM 74 CB LEU A 12 2.348 0.300 3.258 1.00 85.14 C +ATOM 75 CG LEU A 12 0.824 0.225 3.162 1.00 78.62 C +ATOM 76 CD1 LEU A 12 0.384 -1.112 2.618 1.00 76.38 C +ATOM 77 CD2 LEU A 12 0.206 0.462 4.535 1.00 73.11 C +ATOM 78 N GLY A 13 1.904 1.141 0.048 1.00 89.06 N +ATOM 79 CA GLY A 13 1.482 2.208 -0.843 1.00 86.99 C +ATOM 80 C GLY A 13 0.601 3.218 -0.142 1.00 87.34 C +ATOM 81 O GLY A 13 0.098 2.974 0.955 1.00 87.89 O +ATOM 82 N PRO A 14 0.394 4.381 -0.769 1.00 89.03 N +ATOM 83 CA PRO A 14 -0.436 5.412 -0.168 1.00 90.37 C +ATOM 84 C PRO A 14 -1.903 4.999 -0.177 1.00 90.21 C +ATOM 85 O PRO A 14 -2.311 4.147 -0.953 1.00 90.03 O +ATOM 86 CB PRO A 14 -0.196 6.629 -1.062 1.00 88.71 C +ATOM 87 CG PRO A 14 0.111 6.025 -2.387 1.00 87.26 C +ATOM 88 CD PRO A 14 0.931 4.798 -2.060 1.00 88.09 C +HETATM 89 N HYP A 15 -2.688 5.633 0.685 1.00 80.07 N +HETATM 90 CA HYP A 15 -4.107 5.375 0.699 1.00 83.96 C +HETATM 91 C HYP A 15 -4.762 5.736 -0.629 1.00 84.18 C +HETATM 92 O HYP A 15 -4.278 6.658 -1.323 1.00 80.18 O +HETATM 93 CB HYP A 15 -4.591 6.318 1.813 1.00 78.02 C +HETATM 94 CG HYP A 15 -3.372 6.442 2.706 1.00 77.81 C +HETATM 95 CD HYP A 15 -2.243 6.477 1.712 1.00 85.02 C +HETATM 96 OD1 HYP A 15 -3.242 5.317 3.516 1.00 82.92 O +ATOM 97 N GLY A 16 -5.760 4.991 -0.988 1.00 92.43 N +ATOM 98 CA GLY A 16 -6.459 5.285 -2.208 1.00 90.55 C +ATOM 99 C GLY A 16 -7.208 6.602 -2.096 1.00 90.74 C +ATOM 100 O GLY A 16 -7.335 7.167 -1.010 1.00 91.10 O +ATOM 101 N PRO A 17 -7.722 7.104 -3.223 1.00 87.01 N +ATOM 102 CA PRO A 17 -8.457 8.361 -3.209 1.00 87.85 C +ATOM 103 C PRO A 17 -9.800 8.203 -2.515 1.00 87.93 C +ATOM 104 O PRO A 17 -10.327 7.108 -2.403 1.00 88.16 O +ATOM 105 CB PRO A 17 -8.619 8.691 -4.688 1.00 85.91 C +ATOM 106 CG PRO A 17 -8.641 7.346 -5.337 1.00 83.68 C +ATOM 107 CD PRO A 17 -7.626 6.537 -4.567 1.00 84.23 C +HETATM 108 N HYP A 18 -10.364 9.311 -2.063 1.00 85.69 N +HETATM 109 CA HYP A 18 -11.684 9.279 -1.482 1.00 88.66 C +HETATM 110 C HYP A 18 -12.734 8.796 -2.448 1.00 84.77 C +HETATM 111 O HYP A 18 -12.633 9.022 -3.684 1.00 87.38 O +HETATM 112 CB HYP A 18 -11.906 10.757 -1.136 1.00 84.59 C +HETATM 113 CG HYP A 18 -10.527 11.330 -0.947 1.00 81.81 C +HETATM 114 CD HYP A 18 -9.731 10.602 -1.982 1.00 86.72 C +HETATM 115 OD1 HYP A 18 -10.015 11.028 0.328 1.00 87.60 O +ATOM 116 N GLY A 19 -13.696 8.031 -1.957 1.00 90.44 N +ATOM 117 CA GLY A 19 -14.750 7.521 -2.789 1.00 89.67 C +ATOM 118 C GLY A 19 -15.634 8.647 -3.294 1.00 90.34 C +ATOM 119 O GLY A 19 -15.525 9.790 -2.849 1.00 90.02 O +ATOM 120 N PRO A 20 -16.524 8.336 -4.233 1.00 86.50 N +ATOM 121 CA PRO A 20 -17.413 9.352 -4.777 1.00 86.37 C +ATOM 122 C PRO A 20 -18.452 9.773 -3.754 1.00 86.34 C +ATOM 123 O PRO A 20 -18.743 9.041 -2.816 1.00 85.72 O +ATOM 124 CB PRO A 20 -18.046 8.650 -5.978 1.00 83.05 C +ATOM 125 CG PRO A 20 -18.033 7.217 -5.577 1.00 80.48 C +ATOM 126 CD PRO A 20 -16.725 7.029 -4.848 1.00 82.76 C +HETATM 127 N HYP A 21 -19.030 10.969 -3.912 1.00 91.16 N +HETATM 128 CA HYP A 21 -20.085 11.415 -3.050 1.00 88.99 C +HETATM 129 C HYP A 21 -21.302 10.519 -3.063 1.00 88.75 C +HETATM 130 O HYP A 21 -21.604 9.924 -4.111 1.00 91.35 O +HETATM 131 CB HYP A 21 -20.471 12.799 -3.663 1.00 88.31 C +HETATM 132 CG HYP A 21 -19.206 13.276 -4.333 1.00 84.71 C +HETATM 133 CD HYP A 21 -18.602 11.999 -4.858 1.00 89.13 C +HETATM 134 OD1 HYP A 21 -18.307 13.849 -3.395 1.00 88.54 O +ATOM 135 N GLY A 22 -21.950 10.309 -1.944 1.00 88.64 N +ATOM 136 CA GLY A 22 -23.112 9.478 -1.862 1.00 88.25 C +ATOM 137 C GLY A 22 -24.266 10.083 -2.644 1.00 88.54 C +ATOM 138 O GLY A 22 -24.207 11.240 -3.052 1.00 86.81 O +ATOM 139 N PRO A 23 -25.335 9.326 -2.847 1.00 89.70 N +ATOM 140 CA PRO A 23 -26.481 9.841 -3.588 1.00 90.15 C +ATOM 141 C PRO A 23 -27.220 10.886 -2.780 1.00 89.40 C +ATOM 142 O PRO A 23 -27.128 10.926 -1.555 1.00 86.02 O +ATOM 143 CB PRO A 23 -27.330 8.597 -3.829 1.00 86.21 C +ATOM 144 CG PRO A 23 -27.008 7.732 -2.661 1.00 83.35 C +ATOM 145 CD PRO A 23 -25.533 7.944 -2.424 1.00 85.68 C +HETATM 146 N HYP A 24 -28.046 11.751 -3.416 1.00 90.77 N +HETATM 147 CA HYP A 24 -28.746 12.759 -2.624 1.00 87.73 C +HETATM 148 C HYP A 24 -29.761 12.039 -1.773 1.00 89.85 C +HETATM 149 O HYP A 24 -29.712 12.266 -0.613 1.00 89.57 O +HETATM 150 CB HYP A 24 -29.552 13.580 -3.696 1.00 89.01 C +HETATM 151 CG HYP A 24 -28.895 13.345 -4.985 1.00 88.48 C +HETATM 152 CD HYP A 24 -28.287 11.930 -4.840 1.00 89.79 C +HETATM 153 OD1 HYP A 24 -27.857 14.280 -5.150 1.00 85.32 O +HETATM 154 OXT HYP A 24 -30.590 11.257 -2.346 1.00 85.35 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_385.txt b/protein_pdb_385.txt new file mode 100644 index 0000000000000000000000000000000000000000..793ca53234d7472473bd80188b3c164d9f4270d8 --- /dev/null +++ b/protein_pdb_385.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 10.870 10.492 3.653 1.00 92.34 N +ATOM 2 CA GLY A 1 10.325 9.477 4.516 1.00 93.64 C +ATOM 3 C GLY A 1 10.259 8.123 3.854 1.00 94.62 C +ATOM 4 O GLY A 1 10.560 7.984 2.674 1.00 93.35 O +ATOM 5 N PRO A 2 9.835 7.161 4.571 1.00 91.83 N +ATOM 6 CA PRO A 2 9.755 5.811 4.042 1.00 93.09 C +ATOM 7 C PRO A 2 8.572 5.641 3.103 1.00 93.11 C +ATOM 8 O PRO A 2 7.668 6.465 3.056 1.00 91.87 O +ATOM 9 CB PRO A 2 9.576 4.967 5.297 1.00 90.53 C +ATOM 10 CG PRO A 2 8.896 5.874 6.247 1.00 87.13 C +ATOM 11 CD PRO A 2 9.454 7.247 5.971 1.00 89.53 C +HETATM 12 N HYP A 3 8.613 4.543 2.349 1.00 92.65 N +HETATM 13 CA HYP A 3 7.488 4.252 1.474 1.00 91.45 C +HETATM 14 C HYP A 3 6.209 4.126 2.246 1.00 93.99 C +HETATM 15 O HYP A 3 6.223 3.702 3.419 1.00 94.18 O +HETATM 16 CB HYP A 3 7.874 2.845 0.894 1.00 90.09 C +HETATM 17 CG HYP A 3 9.397 2.839 0.919 1.00 87.92 C +HETATM 18 CD HYP A 3 9.708 3.590 2.239 1.00 90.56 C +HETATM 19 OD1 HYP A 3 9.851 3.597 -0.169 1.00 90.54 O +ATOM 20 N GLY A 4 5.155 4.576 1.633 1.00 95.10 N +ATOM 21 CA GLY A 4 3.864 4.445 2.240 1.00 94.88 C +ATOM 22 C GLY A 4 3.448 2.987 2.349 1.00 95.21 C +ATOM 23 O GLY A 4 4.078 2.101 1.774 1.00 95.27 O +ATOM 24 N PRO A 5 2.388 2.743 3.095 1.00 93.30 N +ATOM 25 CA PRO A 5 1.918 1.374 3.252 1.00 93.16 C +ATOM 26 C PRO A 5 1.318 0.843 1.963 1.00 93.14 C +ATOM 27 O PRO A 5 0.961 1.602 1.068 1.00 92.13 O +ATOM 28 CB PRO A 5 0.866 1.493 4.346 1.00 91.96 C +ATOM 29 CG PRO A 5 0.354 2.878 4.198 1.00 90.49 C +ATOM 30 CD PRO A 5 1.536 3.702 3.777 1.00 92.81 C +HETATM 31 N HYP A 6 1.223 -0.478 1.873 1.00 92.46 N +HETATM 32 CA HYP A 6 0.555 -1.086 0.763 1.00 94.26 C +HETATM 33 C HYP A 6 -0.853 -0.600 0.641 1.00 93.69 C +HETATM 34 O HYP A 6 -1.497 -0.272 1.660 1.00 94.29 O +HETATM 35 CB HYP A 6 0.612 -2.594 1.129 1.00 89.73 C +HETATM 36 CG HYP A 6 1.835 -2.714 1.982 1.00 89.34 C +HETATM 37 CD HYP A 6 1.781 -1.435 2.807 1.00 91.87 C +HETATM 38 OD1 HYP A 6 2.979 -2.713 1.172 1.00 90.29 O +ATOM 39 N GLY A 7 -1.281 -0.454 -0.572 1.00 94.50 N +ATOM 40 CA GLY A 7 -2.638 -0.064 -0.819 1.00 94.46 C +ATOM 41 C GLY A 7 -3.612 -1.106 -0.313 1.00 95.02 C +ATOM 42 O GLY A 7 -3.235 -2.226 0.024 1.00 94.92 O +ATOM 43 N PRO A 8 -4.865 -0.736 -0.256 1.00 94.50 N +ATOM 44 CA PRO A 8 -5.863 -1.682 0.226 1.00 94.66 C +ATOM 45 C PRO A 8 -6.072 -2.815 -0.770 1.00 94.83 C +ATOM 46 O PRO A 8 -5.814 -2.677 -1.960 1.00 93.27 O +ATOM 47 CB PRO A 8 -7.114 -0.834 0.378 1.00 92.72 C +ATOM 48 CG PRO A 8 -6.923 0.270 -0.592 1.00 91.21 C +ATOM 49 CD PRO A 8 -5.448 0.537 -0.626 1.00 93.32 C +HETATM 50 N HYP A 9 -6.549 -3.926 -0.265 1.00 93.75 N +HETATM 51 CA HYP A 9 -6.863 -5.034 -1.110 1.00 93.89 C +HETATM 52 C HYP A 9 -7.955 -4.711 -2.051 1.00 93.85 C +HETATM 53 O HYP A 9 -8.816 -3.881 -1.753 1.00 94.29 O +HETATM 54 CB HYP A 9 -7.346 -6.119 -0.110 1.00 90.57 C +HETATM 55 CG HYP A 9 -6.738 -5.757 1.183 1.00 89.76 C +HETATM 56 CD HYP A 9 -6.718 -4.271 1.180 1.00 92.68 C +HETATM 57 OD1 HYP A 9 -5.402 -6.230 1.209 1.00 90.13 O +ATOM 58 N GLY A 10 -7.992 -5.275 -3.212 1.00 94.00 N +ATOM 59 CA GLY A 10 -9.167 -5.241 -4.053 1.00 93.49 C +ATOM 60 C GLY A 10 -10.259 -6.093 -3.435 1.00 94.11 C +ATOM 61 O GLY A 10 -10.196 -6.471 -2.264 1.00 93.02 O +ATOM 62 N ILE A 11 -11.263 -6.410 -4.213 1.00 94.31 N +ATOM 63 CA ILE A 11 -12.335 -7.240 -3.672 1.00 94.90 C +ATOM 64 C ILE A 11 -11.772 -8.536 -3.103 1.00 95.01 C +ATOM 65 O ILE A 11 -12.070 -8.920 -1.971 1.00 93.31 O +ATOM 66 CB ILE A 11 -13.412 -7.497 -4.736 1.00 94.35 C +ATOM 67 CG1 ILE A 11 -14.087 -6.173 -5.112 1.00 91.89 C +ATOM 68 CG2 ILE A 11 -14.444 -8.492 -4.229 1.00 89.57 C +ATOM 69 CD1 ILE A 11 -14.998 -6.281 -6.306 1.00 84.52 C +ATOM 70 N HIS A 12 -10.932 -9.179 -3.896 1.00 93.30 N +ATOM 71 CA HIS A 12 -10.208 -10.372 -3.445 1.00 94.39 C +ATOM 72 C HIS A 12 -8.739 -10.292 -3.811 1.00 94.02 C +ATOM 73 O HIS A 12 -8.013 -11.277 -3.649 1.00 91.42 O +ATOM 74 CB HIS A 12 -10.825 -11.638 -4.049 1.00 93.16 C +ATOM 75 CG HIS A 12 -12.254 -11.849 -3.664 1.00 90.23 C +ATOM 76 ND1 HIS A 12 -13.289 -11.800 -4.563 1.00 85.55 N +ATOM 77 CD2 HIS A 12 -12.811 -12.090 -2.464 1.00 81.80 C +ATOM 78 CE1 HIS A 12 -14.420 -12.009 -3.921 1.00 83.90 C +ATOM 79 NE2 HIS A 12 -14.172 -12.188 -2.654 1.00 85.67 N +ATOM 80 N GLY A 13 -8.314 -9.170 -4.317 1.00 95.40 N +ATOM 81 CA GLY A 13 -6.973 -9.038 -4.837 1.00 95.14 C +ATOM 82 C GLY A 13 -5.951 -8.731 -3.778 1.00 95.54 C +ATOM 83 O GLY A 13 -6.276 -8.503 -2.613 1.00 95.26 O +ATOM 84 N PRO A 14 -4.700 -8.735 -4.183 1.00 95.32 N +ATOM 85 CA PRO A 14 -3.617 -8.442 -3.258 1.00 95.35 C +ATOM 86 C PRO A 14 -3.604 -6.976 -2.871 1.00 95.42 C +ATOM 87 O PRO A 14 -4.237 -6.140 -3.505 1.00 94.30 O +ATOM 88 CB PRO A 14 -2.370 -8.813 -4.054 1.00 93.97 C +ATOM 89 CG PRO A 14 -2.761 -8.563 -5.462 1.00 92.46 C +ATOM 90 CD PRO A 14 -4.215 -8.938 -5.548 1.00 94.08 C +HETATM 91 N HYP A 15 -2.855 -6.712 -1.850 1.00 94.25 N +HETATM 92 CA HYP A 15 -2.644 -5.347 -1.471 1.00 94.95 C +HETATM 93 C HYP A 15 -2.027 -4.570 -2.588 1.00 95.97 C +HETATM 94 O HYP A 15 -1.275 -5.145 -3.403 1.00 95.12 O +HETATM 95 CB HYP A 15 -1.663 -5.514 -0.280 1.00 91.73 C +HETATM 96 CG HYP A 15 -1.965 -6.879 0.286 1.00 90.41 C +HETATM 97 CD HYP A 15 -2.256 -7.697 -0.943 1.00 93.21 C +HETATM 98 OD1 HYP A 15 -3.113 -6.814 1.096 1.00 91.13 O +ATOM 99 N GLY A 16 -2.361 -3.321 -2.688 1.00 95.52 N +ATOM 100 CA GLY A 16 -1.744 -2.461 -3.659 1.00 95.45 C +ATOM 101 C GLY A 16 -0.277 -2.266 -3.357 1.00 95.94 C +ATOM 102 O GLY A 16 0.226 -2.684 -2.313 1.00 95.74 O +ATOM 103 N PRO A 17 0.420 -1.630 -4.288 1.00 93.53 N +ATOM 104 CA PRO A 17 1.836 -1.389 -4.079 1.00 93.68 C +ATOM 105 C PRO A 17 2.067 -0.382 -2.963 1.00 93.93 C +ATOM 106 O PRO A 17 1.184 0.373 -2.590 1.00 92.64 O +ATOM 107 CB PRO A 17 2.303 -0.845 -5.421 1.00 92.18 C +ATOM 108 CG PRO A 17 1.084 -0.223 -5.999 1.00 90.62 C +ATOM 109 CD PRO A 17 -0.068 -1.069 -5.541 1.00 92.61 C +HETATM 110 N HYP A 18 3.282 -0.399 -2.439 1.00 92.08 N +HETATM 111 CA HYP A 18 3.654 0.557 -1.464 1.00 91.39 C +HETATM 112 C HYP A 18 3.514 1.960 -1.994 1.00 93.19 C +HETATM 113 O HYP A 18 3.698 2.200 -3.190 1.00 93.62 O +HETATM 114 CB HYP A 18 5.128 0.215 -1.202 1.00 89.14 C +HETATM 115 CG HYP A 18 5.217 -1.261 -1.514 1.00 89.01 C +HETATM 116 CD HYP A 18 4.308 -1.386 -2.712 1.00 92.26 C +HETATM 117 OD1 HYP A 18 4.692 -2.011 -0.426 1.00 90.39 O +ATOM 118 N GLY A 19 3.114 2.849 -1.141 1.00 92.43 N +ATOM 119 CA GLY A 19 3.024 4.233 -1.506 1.00 92.69 C +ATOM 120 C GLY A 19 4.398 4.818 -1.786 1.00 93.30 C +ATOM 121 O GLY A 19 5.423 4.195 -1.513 1.00 93.81 O +ATOM 122 N PRO A 20 4.411 6.013 -2.333 1.00 88.42 N +ATOM 123 CA PRO A 20 5.680 6.658 -2.623 1.00 89.39 C +ATOM 124 C PRO A 20 6.378 7.088 -1.343 1.00 89.00 C +ATOM 125 O PRO A 20 5.769 7.182 -0.286 1.00 89.42 O +ATOM 126 CB PRO A 20 5.271 7.864 -3.461 1.00 87.46 C +ATOM 127 CG PRO A 20 3.903 8.179 -2.978 1.00 85.03 C +ATOM 128 CD PRO A 20 3.272 6.862 -2.657 1.00 87.75 C +HETATM 129 N HYP A 21 7.693 7.316 -1.478 1.00 92.15 N +HETATM 130 CA HYP A 21 8.407 7.843 -0.365 1.00 91.39 C +HETATM 131 C HYP A 21 7.850 9.140 0.143 1.00 92.38 C +HETATM 132 O HYP A 21 7.329 9.904 -0.640 1.00 93.18 O +HETATM 133 CB HYP A 21 9.828 8.009 -0.881 1.00 89.14 C +HETATM 134 CG HYP A 21 9.945 6.975 -1.956 1.00 86.77 C +HETATM 135 CD HYP A 21 8.586 6.987 -2.596 1.00 90.92 C +HETATM 136 OD1 HYP A 21 10.153 5.705 -1.346 1.00 87.86 O +ATOM 137 N GLY A 22 7.844 9.312 1.422 1.00 93.24 N +ATOM 138 CA GLY A 22 7.404 10.546 2.001 1.00 92.56 C +ATOM 139 C GLY A 22 8.363 11.676 1.667 1.00 92.80 C +ATOM 140 O GLY A 22 9.428 11.457 1.094 1.00 92.69 O +ATOM 141 N PRO A 23 8.007 12.895 2.044 1.00 92.74 N +ATOM 142 CA PRO A 23 8.901 14.013 1.787 1.00 92.27 C +ATOM 143 C PRO A 23 10.179 13.849 2.590 1.00 91.10 C +ATOM 144 O PRO A 23 10.148 13.464 3.753 1.00 87.69 O +ATOM 145 CB PRO A 23 8.099 15.232 2.233 1.00 89.72 C +ATOM 146 CG PRO A 23 7.046 14.706 3.111 1.00 87.92 C +ATOM 147 CD PRO A 23 6.791 13.285 2.730 1.00 90.84 C +HETATM 148 N HYP A 24 11.244 13.989 2.060 1.00 94.25 N +HETATM 149 CA HYP A 24 12.552 13.579 2.618 1.00 87.94 C +HETATM 150 C HYP A 24 12.592 12.399 3.446 1.00 91.87 C +HETATM 151 O HYP A 24 13.594 11.769 3.852 1.00 90.10 O +HETATM 152 CB HYP A 24 13.517 14.409 2.146 1.00 88.79 C +HETATM 153 CG HYP A 24 12.754 15.656 1.673 1.00 89.44 C +HETATM 154 CD HYP A 24 11.302 15.230 1.532 1.00 92.27 C +HETATM 155 OD1 HYP A 24 13.218 16.077 0.418 1.00 88.38 O +HETATM 156 OXT HYP A 24 11.785 11.892 4.087 1.00 87.25 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_386.txt b/protein_pdb_386.txt new file mode 100644 index 0000000000000000000000000000000000000000..f99dcb29076974c7f823a342332cd4cbc57a4c15 --- /dev/null +++ b/protein_pdb_386.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 5.815 -9.031 -9.815 1.00 77.11 N +ATOM 2 CA GLY A 1 5.364 -7.757 -10.340 1.00 80.14 C +ATOM 3 C GLY A 1 5.806 -6.618 -9.461 1.00 82.93 C +ATOM 4 O GLY A 1 6.475 -6.830 -8.449 1.00 79.25 O +ATOM 5 N PRO A 2 5.433 -5.403 -9.816 1.00 80.71 N +ATOM 6 CA PRO A 2 5.837 -4.240 -9.040 1.00 83.89 C +ATOM 7 C PRO A 2 5.142 -4.177 -7.697 1.00 84.83 C +ATOM 8 O PRO A 2 4.130 -4.835 -7.467 1.00 81.85 O +ATOM 9 CB PRO A 2 5.425 -3.062 -9.927 1.00 80.02 C +ATOM 10 CG PRO A 2 4.298 -3.595 -10.731 1.00 76.53 C +ATOM 11 CD PRO A 2 4.615 -5.038 -10.977 1.00 77.38 C +HETATM 12 N HYP A 3 5.704 -3.436 -6.854 1.00 85.27 N +HETATM 13 CA HYP A 3 5.093 -3.180 -5.531 1.00 83.55 C +HETATM 14 C HYP A 3 3.730 -2.584 -5.680 1.00 86.65 C +HETATM 15 O HYP A 3 3.453 -1.852 -6.654 1.00 87.73 O +HETATM 16 CB HYP A 3 6.085 -2.200 -4.902 1.00 85.08 C +HETATM 17 CG HYP A 3 7.413 -2.497 -5.576 1.00 79.37 C +HETATM 18 CD HYP A 3 6.970 -2.788 -7.018 1.00 84.04 C +HETATM 19 OD1 HYP A 3 7.959 -3.670 -5.031 1.00 83.56 O +ATOM 20 N GLY A 4 2.866 -2.919 -4.758 1.00 87.80 N +ATOM 21 CA GLY A 4 1.536 -2.378 -4.761 1.00 87.85 C +ATOM 22 C GLY A 4 1.538 -0.890 -4.468 1.00 88.84 C +ATOM 23 O GLY A 4 2.560 -0.314 -4.096 1.00 88.64 O +ATOM 24 N PRO A 5 0.390 -0.263 -4.636 1.00 88.30 N +ATOM 25 CA PRO A 5 0.287 1.171 -4.379 1.00 89.08 C +ATOM 26 C PRO A 5 0.329 1.470 -2.892 1.00 89.21 C +ATOM 27 O PRO A 5 0.139 0.591 -2.060 1.00 87.14 O +ATOM 28 CB PRO A 5 -1.065 1.534 -4.984 1.00 86.64 C +ATOM 29 CG PRO A 5 -1.858 0.279 -4.864 1.00 84.60 C +ATOM 30 CD PRO A 5 -0.880 -0.838 -5.079 1.00 86.64 C +HETATM 31 N HYP A 6 0.593 2.729 -2.597 1.00 89.79 N +HETATM 32 CA HYP A 6 0.558 3.161 -1.213 1.00 92.05 C +HETATM 33 C HYP A 6 -0.784 2.929 -0.588 1.00 90.56 C +HETATM 34 O HYP A 6 -1.833 3.011 -1.279 1.00 88.11 O +HETATM 35 CB HYP A 6 0.862 4.665 -1.325 1.00 86.31 C +HETATM 36 CG HYP A 6 1.640 4.792 -2.605 1.00 84.79 C +HETATM 37 CD HYP A 6 0.958 3.783 -3.510 1.00 88.18 C +HETATM 38 OD1 HYP A 6 2.971 4.375 -2.385 1.00 84.07 O +ATOM 39 N GLY A 7 -0.778 2.593 0.669 1.00 89.51 N +ATOM 40 CA GLY A 7 -2.004 2.390 1.388 1.00 88.56 C +ATOM 41 C GLY A 7 -2.797 3.671 1.518 1.00 89.52 C +ATOM 42 O GLY A 7 -2.333 4.754 1.154 1.00 88.97 O +ATOM 43 N PRO A 8 -3.998 3.559 2.036 1.00 88.72 N +ATOM 44 CA PRO A 8 -4.841 4.734 2.182 1.00 89.06 C +ATOM 45 C PRO A 8 -4.357 5.641 3.303 1.00 89.11 C +ATOM 46 O PRO A 8 -3.665 5.213 4.215 1.00 86.44 O +ATOM 47 CB PRO A 8 -6.213 4.148 2.506 1.00 86.23 C +ATOM 48 CG PRO A 8 -5.898 2.865 3.188 1.00 84.76 C +ATOM 49 CD PRO A 8 -4.659 2.345 2.512 1.00 86.74 C +HETATM 50 N HYP A 9 -4.760 6.895 3.216 1.00 85.87 N +HETATM 51 CA HYP A 9 -4.450 7.825 4.254 1.00 86.89 C +HETATM 52 C HYP A 9 -5.203 7.482 5.493 1.00 87.15 C +HETATM 53 O HYP A 9 -6.297 6.915 5.443 1.00 85.26 O +HETATM 54 CB HYP A 9 -5.017 9.156 3.678 1.00 83.81 C +HETATM 55 CG HYP A 9 -5.123 8.969 2.215 1.00 80.95 C +HETATM 56 CD HYP A 9 -5.431 7.524 2.053 1.00 85.40 C +HETATM 57 OD1 HYP A 9 -3.864 9.222 1.641 1.00 81.62 O +ATOM 58 N GLY A 10 -4.676 7.764 6.638 1.00 86.63 N +ATOM 59 CA GLY A 10 -5.431 7.679 7.868 1.00 83.53 C +ATOM 60 C GLY A 10 -6.409 8.841 7.943 1.00 83.35 C +ATOM 61 O GLY A 10 -6.538 9.631 7.011 1.00 81.34 O +ATOM 62 N ASP A 11 -7.089 8.936 9.065 1.00 83.79 N +ATOM 63 CA ASP A 11 -7.995 10.075 9.239 1.00 88.06 C +ATOM 64 C ASP A 11 -7.240 11.383 9.042 1.00 89.35 C +ATOM 65 O ASP A 11 -7.727 12.302 8.388 1.00 86.21 O +ATOM 66 CB ASP A 11 -8.625 10.040 10.625 1.00 84.09 C +ATOM 67 CG ASP A 11 -9.611 8.893 10.792 1.00 78.30 C +ATOM 68 OD1 ASP A 11 -10.180 8.430 9.785 1.00 75.86 O +ATOM 69 OD2 ASP A 11 -9.820 8.470 11.943 1.00 74.21 O +ATOM 70 N ASP A 12 -6.051 11.436 9.610 1.00 85.48 N +ATOM 71 CA ASP A 12 -5.098 12.518 9.406 1.00 89.41 C +ATOM 72 C ASP A 12 -3.734 11.858 9.404 1.00 90.03 C +ATOM 73 O ASP A 12 -3.258 11.433 10.452 1.00 84.66 O +ATOM 74 CB ASP A 12 -5.159 13.555 10.535 1.00 85.44 C +ATOM 75 CG ASP A 12 -6.473 14.306 10.574 1.00 79.73 C +ATOM 76 OD1 ASP A 12 -7.402 13.834 11.254 1.00 78.23 O +ATOM 77 OD2 ASP A 12 -6.555 15.383 9.948 1.00 75.62 O +ATOM 78 N GLY A 13 -3.113 11.759 8.257 1.00 90.56 N +ATOM 79 CA GLY A 13 -1.822 11.109 8.232 1.00 89.11 C +ATOM 80 C GLY A 13 -1.430 10.698 6.838 1.00 90.14 C +ATOM 81 O GLY A 13 -2.225 10.779 5.901 1.00 89.40 O +ATOM 82 N PRO A 14 -0.193 10.272 6.696 1.00 89.13 N +ATOM 83 CA PRO A 14 0.327 9.890 5.397 1.00 89.47 C +ATOM 84 C PRO A 14 -0.269 8.577 4.913 1.00 89.91 C +ATOM 85 O PRO A 14 -0.833 7.810 5.685 1.00 87.46 O +ATOM 86 CB PRO A 14 1.829 9.759 5.642 1.00 86.91 C +ATOM 87 CG PRO A 14 1.931 9.368 7.066 1.00 85.77 C +ATOM 88 CD PRO A 14 0.826 10.102 7.758 1.00 86.58 C +HETATM 89 N HYP A 15 -0.083 8.382 3.648 1.00 90.67 N +HETATM 90 CA HYP A 15 -0.469 7.098 3.063 1.00 91.26 C +HETATM 91 C HYP A 15 0.339 5.982 3.646 1.00 91.88 C +HETATM 92 O HYP A 15 1.457 6.207 4.138 1.00 90.99 O +HETATM 93 CB HYP A 15 -0.095 7.351 1.576 1.00 85.25 C +HETATM 94 CG HYP A 15 -0.168 8.859 1.399 1.00 83.37 C +HETATM 95 CD HYP A 15 0.375 9.376 2.712 1.00 88.74 C +HETATM 96 OD1 HYP A 15 -1.495 9.264 1.257 1.00 86.35 O +ATOM 97 N GLY A 16 -0.249 4.828 3.667 1.00 92.73 N +ATOM 98 CA GLY A 16 0.455 3.666 4.135 1.00 92.45 C +ATOM 99 C GLY A 16 1.574 3.279 3.190 1.00 93.24 C +ATOM 100 O GLY A 16 1.744 3.870 2.124 1.00 92.44 O +ATOM 101 N PRO A 17 2.353 2.288 3.600 1.00 90.01 N +ATOM 102 CA PRO A 17 3.463 1.848 2.774 1.00 90.25 C +ATOM 103 C PRO A 17 2.978 1.115 1.530 1.00 90.93 C +ATOM 104 O PRO A 17 1.842 0.658 1.467 1.00 88.68 O +ATOM 105 CB PRO A 17 4.249 0.925 3.694 1.00 87.93 C +ATOM 106 CG PRO A 17 3.232 0.408 4.638 1.00 86.66 C +ATOM 107 CD PRO A 17 2.252 1.523 4.840 1.00 88.24 C +HETATM 108 N HYP A 18 3.863 1.010 0.547 1.00 87.99 N +HETATM 109 CA HYP A 18 3.559 0.247 -0.617 1.00 89.16 C +HETATM 110 C HYP A 18 3.245 -1.179 -0.299 1.00 89.77 C +HETATM 111 O HYP A 18 3.769 -1.735 0.681 1.00 89.89 O +HETATM 112 CB HYP A 18 4.859 0.326 -1.427 1.00 86.04 C +HETATM 113 CG HYP A 18 5.490 1.624 -0.983 1.00 84.82 C +HETATM 114 CD HYP A 18 5.145 1.646 0.491 1.00 88.92 C +HETATM 115 OD1 HYP A 18 4.850 2.709 -1.633 1.00 86.31 O +ATOM 116 N GLY A 19 2.374 -1.751 -1.067 1.00 89.64 N +ATOM 117 CA GLY A 19 2.052 -3.139 -0.925 1.00 89.47 C +ATOM 118 C GLY A 19 3.221 -4.016 -1.321 1.00 90.24 C +ATOM 119 O GLY A 19 4.227 -3.546 -1.845 1.00 89.66 O +ATOM 120 N PRO A 20 3.095 -5.302 -1.064 1.00 83.00 N +ATOM 121 CA PRO A 20 4.162 -6.225 -1.416 1.00 83.87 C +ATOM 122 C PRO A 20 4.268 -6.399 -2.915 1.00 83.94 C +ATOM 123 O PRO A 20 3.355 -6.071 -3.661 1.00 82.76 O +ATOM 124 CB PRO A 20 3.742 -7.520 -0.732 1.00 80.54 C +ATOM 125 CG PRO A 20 2.261 -7.419 -0.653 1.00 77.46 C +ATOM 126 CD PRO A 20 1.957 -5.964 -0.447 1.00 79.62 C +HETATM 127 N HYP A 21 5.400 -6.923 -3.328 1.00 86.76 N +HETATM 128 CA HYP A 21 5.586 -7.212 -4.721 1.00 85.59 C +HETATM 129 C HYP A 21 4.535 -8.145 -5.272 1.00 86.45 C +HETATM 130 O HYP A 21 4.069 -9.030 -4.543 1.00 88.82 O +HETATM 131 CB HYP A 21 6.950 -7.863 -4.783 1.00 84.42 C +HETATM 132 CG HYP A 21 7.677 -7.309 -3.584 1.00 80.44 C +HETATM 133 CD HYP A 21 6.589 -7.211 -2.535 1.00 85.65 C +HETATM 134 OD1 HYP A 21 8.115 -5.968 -3.860 1.00 80.81 O +ATOM 135 N GLY A 22 4.079 -7.877 -6.461 1.00 84.34 N +ATOM 136 CA GLY A 22 3.126 -8.735 -7.103 1.00 82.45 C +ATOM 137 C GLY A 22 3.754 -10.056 -7.494 1.00 82.94 C +ATOM 138 O GLY A 22 4.943 -10.285 -7.287 1.00 81.73 O +ATOM 139 N PRO A 23 2.959 -10.939 -8.073 1.00 84.70 N +ATOM 140 CA PRO A 23 3.492 -12.226 -8.492 1.00 85.85 C +ATOM 141 C PRO A 23 4.485 -12.062 -9.619 1.00 85.10 C +ATOM 142 O PRO A 23 4.489 -11.059 -10.326 1.00 80.55 O +ATOM 143 CB PRO A 23 2.251 -12.993 -8.941 1.00 80.59 C +ATOM 144 CG PRO A 23 1.296 -11.935 -9.339 1.00 78.03 C +ATOM 145 CD PRO A 23 1.556 -10.785 -8.412 1.00 80.32 C +HETATM 146 N HYP A 24 5.303 -12.943 -9.830 1.00 86.07 N +HETATM 147 CA HYP A 24 6.336 -12.767 -10.864 1.00 80.23 C +HETATM 148 C HYP A 24 6.005 -11.827 -11.882 1.00 83.45 C +HETATM 149 O HYP A 24 6.891 -11.189 -12.426 1.00 77.87 O +HETATM 150 CB HYP A 24 6.794 -14.133 -11.183 1.00 80.31 C +HETATM 151 CG HYP A 24 6.416 -15.002 -10.014 1.00 79.07 C +HETATM 152 CD HYP A 24 5.200 -14.313 -9.413 1.00 84.12 C +HETATM 153 OD1 HYP A 24 7.444 -14.957 -9.025 1.00 80.51 O +HETATM 154 OXT HYP A 24 4.835 -11.793 -12.295 1.00 75.00 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_387.txt b/protein_pdb_387.txt new file mode 100644 index 0000000000000000000000000000000000000000..b44193dff82209a51d1b6da9aac02684e0ac3231 --- /dev/null +++ b/protein_pdb_387.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 -5.781 15.737 0.375 1.00 86.63 N +ATOM 2 CA GLY A 1 -6.165 14.618 -0.420 1.00 87.44 C +ATOM 3 C GLY A 1 -6.615 13.421 0.382 1.00 87.94 C +ATOM 4 O GLY A 1 -6.399 13.362 1.592 1.00 85.51 O +ATOM 5 N PRO A 2 -7.206 12.462 -0.261 1.00 89.73 N +ATOM 6 CA PRO A 2 -7.707 11.271 0.396 1.00 90.48 C +ATOM 7 C PRO A 2 -6.590 10.289 0.721 1.00 90.23 C +ATOM 8 O PRO A 2 -5.481 10.397 0.206 1.00 87.60 O +ATOM 9 CB PRO A 2 -8.667 10.692 -0.636 1.00 86.94 C +ATOM 10 CG PRO A 2 -8.069 11.103 -1.930 1.00 84.56 C +ATOM 11 CD PRO A 2 -7.499 12.479 -1.688 1.00 87.00 C +HETATM 12 N HYP A 3 -6.935 9.347 1.573 1.00 91.16 N +HETATM 13 CA HYP A 3 -5.972 8.279 1.902 1.00 89.69 C +HETATM 14 C HYP A 3 -5.625 7.446 0.678 1.00 91.48 C +HETATM 15 O HYP A 3 -6.480 7.323 -0.240 1.00 92.13 O +HETATM 16 CB HYP A 3 -6.783 7.407 2.914 1.00 89.71 C +HETATM 17 CG HYP A 3 -7.757 8.379 3.538 1.00 85.90 C +HETATM 18 CD HYP A 3 -8.114 9.305 2.343 1.00 88.82 C +HETATM 19 OD1 HYP A 3 -7.083 9.107 4.518 1.00 86.25 O +ATOM 20 N GLY A 4 -4.428 6.963 0.618 1.00 90.62 N +ATOM 21 CA GLY A 4 -3.997 6.129 -0.471 1.00 89.68 C +ATOM 22 C GLY A 4 -4.665 4.764 -0.416 1.00 89.92 C +ATOM 23 O GLY A 4 -5.339 4.423 0.560 1.00 89.21 O +ATOM 24 N PRO A 5 -4.488 3.960 -1.466 1.00 90.71 N +ATOM 25 CA PRO A 5 -5.089 2.633 -1.510 1.00 90.86 C +ATOM 26 C PRO A 5 -4.377 1.670 -0.574 1.00 90.51 C +ATOM 27 O PRO A 5 -3.265 1.923 -0.129 1.00 88.46 O +ATOM 28 CB PRO A 5 -4.915 2.221 -2.968 1.00 87.91 C +ATOM 29 CG PRO A 5 -3.674 2.931 -3.388 1.00 86.66 C +ATOM 30 CD PRO A 5 -3.708 4.246 -2.661 1.00 89.24 C +HETATM 31 N HYP A 6 -5.074 0.546 -0.275 1.00 90.66 N +HETATM 32 CA HYP A 6 -4.449 -0.508 0.501 1.00 92.29 C +HETATM 33 C HYP A 6 -3.203 -1.042 -0.150 1.00 91.47 C +HETATM 34 O HYP A 6 -3.087 -1.015 -1.427 1.00 90.85 O +HETATM 35 CB HYP A 6 -5.546 -1.595 0.566 1.00 87.60 C +HETATM 36 CG HYP A 6 -6.838 -0.849 0.408 1.00 86.59 C +HETATM 37 CD HYP A 6 -6.460 0.248 -0.580 1.00 89.11 C +HETATM 38 OD1 HYP A 6 -7.215 -0.281 1.624 1.00 85.37 O +ATOM 39 N GLY A 7 -2.249 -1.456 0.615 1.00 90.22 N +ATOM 40 CA GLY A 7 -1.037 -2.035 0.101 1.00 89.29 C +ATOM 41 C GLY A 7 -1.319 -3.349 -0.609 1.00 89.34 C +ATOM 42 O GLY A 7 -2.410 -3.907 -0.511 1.00 88.20 O +ATOM 43 N PRO A 8 -0.333 -3.843 -1.327 1.00 90.60 N +ATOM 44 CA PRO A 8 -0.514 -5.081 -2.066 1.00 90.79 C +ATOM 45 C PRO A 8 -0.537 -6.301 -1.162 1.00 90.61 C +ATOM 46 O PRO A 8 0.025 -6.300 -0.073 1.00 86.71 O +ATOM 47 CB PRO A 8 0.691 -5.114 -3.007 1.00 87.67 C +ATOM 48 CG PRO A 8 1.731 -4.359 -2.268 1.00 87.45 C +ATOM 49 CD PRO A 8 0.997 -3.275 -1.536 1.00 89.73 C +HETATM 50 N HYP A 9 -1.194 -7.370 -1.681 1.00 87.65 N +HETATM 51 CA HYP A 9 -1.243 -8.619 -0.982 1.00 89.05 C +HETATM 52 C HYP A 9 0.128 -9.263 -0.966 1.00 89.45 C +HETATM 53 O HYP A 9 0.972 -8.984 -1.808 1.00 88.46 O +HETATM 54 CB HYP A 9 -2.087 -9.540 -1.872 1.00 84.12 C +HETATM 55 CG HYP A 9 -2.891 -8.631 -2.703 1.00 83.73 C +HETATM 56 CD HYP A 9 -2.029 -7.423 -2.875 1.00 89.86 C +HETATM 57 OD1 HYP A 9 -4.054 -8.275 -1.982 1.00 83.42 O +ATOM 58 N GLY A 10 0.459 -10.146 -0.157 1.00 88.10 N +ATOM 59 CA GLY A 10 1.692 -10.891 -0.167 1.00 85.67 C +ATOM 60 C GLY A 10 1.601 -12.096 0.736 1.00 85.30 C +ATOM 61 O GLY A 10 0.661 -12.252 1.506 1.00 83.69 O +ATOM 62 N TYR A 11 2.604 -12.950 0.653 1.00 87.70 N +ATOM 63 CA TYR A 11 2.608 -14.157 1.466 1.00 89.35 C +ATOM 64 C TYR A 11 2.714 -13.839 2.958 1.00 88.44 C +ATOM 65 O TYR A 11 2.413 -14.694 3.790 1.00 84.63 O +ATOM 66 CB TYR A 11 3.748 -15.085 1.031 1.00 87.88 C +ATOM 67 CG TYR A 11 5.119 -14.608 1.433 1.00 84.06 C +ATOM 68 CD1 TYR A 11 5.818 -13.703 0.646 1.00 82.96 C +ATOM 69 CD2 TYR A 11 5.722 -15.054 2.603 1.00 80.63 C +ATOM 70 CE1 TYR A 11 7.078 -13.254 1.005 1.00 78.17 C +ATOM 71 CE2 TYR A 11 6.982 -14.611 2.975 1.00 78.42 C +ATOM 72 CZ TYR A 11 7.652 -13.718 2.175 1.00 78.08 C +ATOM 73 OH TYR A 11 8.904 -13.271 2.545 1.00 78.34 O +ATOM 74 N GLU A 12 3.159 -12.646 3.280 1.00 82.82 N +ATOM 75 CA GLU A 12 3.307 -12.260 4.681 1.00 84.00 C +ATOM 76 C GLU A 12 2.014 -11.736 5.296 1.00 83.95 C +ATOM 77 O GLU A 12 1.964 -11.524 6.512 1.00 77.80 O +ATOM 78 CB GLU A 12 4.406 -11.217 4.825 1.00 78.32 C +ATOM 79 CG GLU A 12 5.763 -11.728 4.378 1.00 72.87 C +ATOM 80 CD GLU A 12 6.885 -10.758 4.675 1.00 67.40 C +ATOM 81 OE1 GLU A 12 6.961 -10.274 5.815 1.00 61.61 O +ATOM 82 OE2 GLU A 12 7.686 -10.494 3.772 1.00 64.46 O +ATOM 83 N GLY A 13 0.990 -11.509 4.505 1.00 91.09 N +ATOM 84 CA GLY A 13 -0.254 -11.016 5.061 1.00 89.78 C +ATOM 85 C GLY A 13 -1.161 -10.378 4.039 1.00 90.80 C +ATOM 86 O GLY A 13 -0.871 -10.371 2.842 1.00 90.01 O +ATOM 87 N PRO A 14 -2.283 -9.869 4.508 1.00 92.50 N +ATOM 88 CA PRO A 14 -3.271 -9.234 3.639 1.00 92.37 C +ATOM 89 C PRO A 14 -2.789 -7.873 3.155 1.00 92.62 C +ATOM 90 O PRO A 14 -1.699 -7.427 3.502 1.00 90.39 O +ATOM 91 CB PRO A 14 -4.498 -9.111 4.537 1.00 90.05 C +ATOM 92 CG PRO A 14 -3.921 -8.930 5.897 1.00 89.49 C +ATOM 93 CD PRO A 14 -2.692 -9.800 5.919 1.00 91.19 C +HETATM 94 N HYP A 15 -3.666 -7.229 2.358 1.00 91.75 N +HETATM 95 CA HYP A 15 -3.333 -5.899 1.896 1.00 92.88 C +HETATM 96 C HYP A 15 -2.975 -4.991 3.030 1.00 93.79 C +HETATM 97 O HYP A 15 -3.555 -5.116 4.156 1.00 92.03 O +HETATM 98 CB HYP A 15 -4.643 -5.400 1.244 1.00 90.88 C +HETATM 99 CG HYP A 15 -5.319 -6.653 0.815 1.00 88.93 C +HETATM 100 CD HYP A 15 -4.977 -7.631 1.921 1.00 90.99 C +HETATM 101 OD1 HYP A 15 -4.789 -7.064 -0.382 1.00 87.24 O +ATOM 102 N GLY A 16 -2.037 -4.136 2.802 1.00 93.04 N +ATOM 103 CA GLY A 16 -1.649 -3.187 3.808 1.00 92.07 C +ATOM 104 C GLY A 16 -2.728 -2.151 4.036 1.00 92.14 C +ATOM 105 O GLY A 16 -3.732 -2.111 3.319 1.00 91.07 O +ATOM 106 N PRO A 17 -2.535 -1.317 5.039 1.00 90.83 N +ATOM 107 CA PRO A 17 -3.515 -0.280 5.335 1.00 90.37 C +ATOM 108 C PRO A 17 -3.497 0.813 4.275 1.00 90.81 C +ATOM 109 O PRO A 17 -2.561 0.914 3.485 1.00 88.76 O +ATOM 110 CB PRO A 17 -3.065 0.255 6.690 1.00 88.01 C +ATOM 111 CG PRO A 17 -1.606 0.001 6.712 1.00 87.54 C +ATOM 112 CD PRO A 17 -1.397 -1.281 5.958 1.00 88.94 C +HETATM 113 N HYP A 18 -4.564 1.622 4.269 1.00 88.68 N +HETATM 114 CA HYP A 18 -4.588 2.745 3.398 1.00 90.47 C +HETATM 115 C HYP A 18 -3.441 3.686 3.583 1.00 91.57 C +HETATM 116 O HYP A 18 -2.942 3.836 4.748 1.00 89.04 O +HETATM 117 CB HYP A 18 -5.926 3.414 3.732 1.00 86.62 C +HETATM 118 CG HYP A 18 -6.790 2.284 4.257 1.00 84.64 C +HETATM 119 CD HYP A 18 -5.788 1.432 5.022 1.00 88.57 C +HETATM 120 OD1 HYP A 18 -7.330 1.551 3.194 1.00 85.64 O +ATOM 121 N GLY A 19 -2.963 4.235 2.547 1.00 84.43 N +ATOM 122 CA GLY A 19 -1.881 5.177 2.630 1.00 83.08 C +ATOM 123 C GLY A 19 -2.314 6.437 3.351 1.00 82.54 C +ATOM 124 O GLY A 19 -3.489 6.628 3.654 1.00 82.88 O +ATOM 125 N PRO A 20 -1.360 7.300 3.634 1.00 84.81 N +ATOM 126 CA PRO A 20 -1.670 8.536 4.335 1.00 85.37 C +ATOM 127 C PRO A 20 -2.432 9.510 3.453 1.00 84.61 C +ATOM 128 O PRO A 20 -2.418 9.402 2.230 1.00 83.42 O +ATOM 129 CB PRO A 20 -0.291 9.084 4.697 1.00 81.91 C +ATOM 130 CG PRO A 20 0.586 8.565 3.616 1.00 79.00 C +ATOM 131 CD PRO A 20 0.058 7.191 3.307 1.00 82.07 C +HETATM 132 N HYP A 21 -3.094 10.428 4.092 1.00 89.75 N +HETATM 133 CA HYP A 21 -3.758 11.467 3.369 1.00 87.57 C +HETATM 134 C HYP A 21 -2.844 12.308 2.530 1.00 89.08 C +HETATM 135 O HYP A 21 -1.682 12.539 2.936 1.00 89.76 O +HETATM 136 CB HYP A 21 -4.396 12.331 4.489 1.00 85.67 C +HETATM 137 CG HYP A 21 -4.532 11.423 5.686 1.00 81.83 C +HETATM 138 CD HYP A 21 -3.338 10.516 5.541 1.00 88.46 C +HETATM 139 OD1 HYP A 21 -5.711 10.644 5.538 1.00 82.56 O +ATOM 140 N GLY A 22 -3.253 12.663 1.374 1.00 83.32 N +ATOM 141 CA GLY A 22 -2.480 13.557 0.552 1.00 80.56 C +ATOM 142 C GLY A 22 -2.543 14.961 1.135 1.00 79.33 C +ATOM 143 O GLY A 22 -3.288 15.223 2.076 1.00 78.40 O +ATOM 144 N PRO A 23 -1.772 15.886 0.590 1.00 89.32 N +ATOM 145 CA PRO A 23 -1.820 17.260 1.067 1.00 89.56 C +ATOM 146 C PRO A 23 -3.127 17.907 0.613 1.00 87.50 C +ATOM 147 O PRO A 23 -3.353 18.065 -0.584 1.00 82.58 O +ATOM 148 CB PRO A 23 -0.596 17.908 0.424 1.00 85.10 C +ATOM 149 CG PRO A 23 -0.345 17.096 -0.794 1.00 81.81 C +ATOM 150 CD PRO A 23 -0.797 15.692 -0.477 1.00 86.01 C +HETATM 151 N HYP A 24 -4.025 18.164 1.485 1.00 91.87 N +HETATM 152 CA HYP A 24 -5.467 18.269 1.102 1.00 85.40 C +HETATM 153 C HYP A 24 -6.105 17.356 0.387 1.00 91.17 C +HETATM 154 O HYP A 24 -6.261 17.578 -0.888 1.00 86.94 O +HETATM 155 CB HYP A 24 -6.090 19.126 2.184 1.00 83.95 C +HETATM 156 CG HYP A 24 -4.910 19.913 2.772 1.00 84.54 C +HETATM 157 CD HYP A 24 -3.690 18.999 2.556 1.00 89.69 C +HETATM 158 OD1 HYP A 24 -5.102 20.342 4.072 1.00 84.65 O +HETATM 159 OXT HYP A 24 -7.289 16.816 0.897 1.00 80.72 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_388.txt b/protein_pdb_388.txt new file mode 100644 index 0000000000000000000000000000000000000000..a78416f06dcc8969ae3132b0eb447e2713dfad5a --- /dev/null +++ b/protein_pdb_388.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 10.924 -12.960 -1.772 1.00 92.00 N +ATOM 2 CA GLY A 1 10.561 -12.136 -2.878 1.00 92.13 C +ATOM 3 C GLY A 1 10.502 -10.654 -2.577 1.00 92.62 C +ATOM 4 O GLY A 1 10.623 -10.236 -1.426 1.00 91.04 O +ATOM 5 N PRO A 2 10.307 -9.887 -3.572 1.00 92.12 N +ATOM 6 CA PRO A 2 10.229 -8.444 -3.422 1.00 92.48 C +ATOM 7 C PRO A 2 8.894 -8.006 -2.844 1.00 92.64 C +ATOM 8 O PRO A 2 7.949 -8.785 -2.769 1.00 90.76 O +ATOM 9 CB PRO A 2 10.402 -7.949 -4.851 1.00 89.48 C +ATOM 10 CG PRO A 2 9.804 -9.038 -5.671 1.00 86.53 C +ATOM 11 CD PRO A 2 10.137 -10.317 -4.953 1.00 89.45 C +HETATM 12 N HYP A 3 8.854 -6.734 -2.462 1.00 92.86 N +HETATM 13 CA HYP A 3 7.602 -6.195 -1.957 1.00 89.75 C +HETATM 14 C HYP A 3 6.509 -6.242 -3.006 1.00 91.28 C +HETATM 15 O HYP A 3 6.807 -6.164 -4.210 1.00 94.06 O +HETATM 16 CB HYP A 3 7.981 -4.709 -1.653 1.00 90.38 C +HETATM 17 CG HYP A 3 9.472 -4.745 -1.396 1.00 87.56 C +HETATM 18 CD HYP A 3 9.959 -5.817 -2.402 1.00 90.92 C +HETATM 19 OD1 HYP A 3 9.690 -5.206 -0.101 1.00 88.69 O +ATOM 20 N GLY A 4 5.301 -6.439 -2.563 1.00 93.02 N +ATOM 21 CA GLY A 4 4.179 -6.446 -3.459 1.00 92.39 C +ATOM 22 C GLY A 4 3.911 -5.060 -4.028 1.00 92.91 C +ATOM 23 O GLY A 4 4.517 -4.073 -3.623 1.00 92.96 O +ATOM 24 N PRO A 5 2.996 -4.985 -4.986 1.00 92.92 N +ATOM 25 CA PRO A 5 2.669 -3.706 -5.596 1.00 92.68 C +ATOM 26 C PRO A 5 1.929 -2.799 -4.624 1.00 92.53 C +ATOM 27 O PRO A 5 1.349 -3.255 -3.644 1.00 91.12 O +ATOM 28 CB PRO A 5 1.782 -4.092 -6.774 1.00 90.79 C +ATOM 29 CG PRO A 5 1.147 -5.364 -6.339 1.00 89.15 C +ATOM 30 CD PRO A 5 2.181 -6.073 -5.518 1.00 91.74 C +HETATM 31 N HYP A 6 1.968 -1.487 -4.911 1.00 93.88 N +HETATM 32 CA HYP A 6 1.198 -0.558 -4.142 1.00 94.05 C +HETATM 33 C HYP A 6 -0.273 -0.869 -4.194 1.00 94.18 C +HETATM 34 O HYP A 6 -0.761 -1.431 -5.199 1.00 93.60 O +HETATM 35 CB HYP A 6 1.483 0.788 -4.864 1.00 90.43 C +HETATM 36 CG HYP A 6 2.830 0.583 -5.482 1.00 89.54 C +HETATM 37 CD HYP A 6 2.772 -0.862 -5.937 1.00 91.71 C +HETATM 38 OD1 HYP A 6 3.830 0.736 -4.503 1.00 89.79 O +ATOM 39 N GLY A 7 -0.942 -0.603 -3.128 1.00 93.51 N +ATOM 40 CA GLY A 7 -2.367 -0.778 -3.087 1.00 92.36 C +ATOM 41 C GLY A 7 -3.065 0.152 -4.052 1.00 93.13 C +ATOM 42 O GLY A 7 -2.464 1.055 -4.624 1.00 92.88 O +ATOM 43 N PRO A 8 -4.352 -0.083 -4.252 1.00 93.91 N +ATOM 44 CA PRO A 8 -5.108 0.761 -5.173 1.00 93.55 C +ATOM 45 C PRO A 8 -5.307 2.154 -4.607 1.00 93.81 C +ATOM 46 O PRO A 8 -5.239 2.381 -3.405 1.00 92.03 O +ATOM 47 CB PRO A 8 -6.434 0.023 -5.321 1.00 91.31 C +ATOM 48 CG PRO A 8 -6.567 -0.736 -4.058 1.00 90.10 C +ATOM 49 CD PRO A 8 -5.169 -1.111 -3.636 1.00 92.33 C +HETATM 50 N HYP A 9 -5.562 3.111 -5.499 1.00 92.25 N +HETATM 51 CA HYP A 9 -5.861 4.434 -5.098 1.00 91.57 C +HETATM 52 C HYP A 9 -7.130 4.478 -4.296 1.00 92.97 C +HETATM 53 O HYP A 9 -8.035 3.655 -4.484 1.00 91.61 O +HETATM 54 CB HYP A 9 -6.090 5.183 -6.437 1.00 87.68 C +HETATM 55 CG HYP A 9 -5.381 4.366 -7.450 1.00 88.67 C +HETATM 56 CD HYP A 9 -5.492 2.966 -6.976 1.00 91.29 C +HETATM 57 OD1 HYP A 9 -4.008 4.725 -7.440 1.00 87.45 O +ATOM 58 N GLY A 10 -7.254 5.348 -3.352 1.00 91.81 N +ATOM 59 CA GLY A 10 -8.509 5.616 -2.691 1.00 89.57 C +ATOM 60 C GLY A 10 -9.493 6.237 -3.666 1.00 89.31 C +ATOM 61 O GLY A 10 -9.231 6.352 -4.865 1.00 87.79 O +ATOM 62 N TYR A 11 -10.644 6.652 -3.146 1.00 91.04 N +ATOM 63 CA TYR A 11 -11.658 7.261 -3.999 1.00 91.74 C +ATOM 64 C TYR A 11 -11.039 8.359 -4.873 1.00 91.83 C +ATOM 65 O TYR A 11 -11.266 8.393 -6.080 1.00 90.16 O +ATOM 66 CB TYR A 11 -12.784 7.803 -3.121 1.00 91.11 C +ATOM 67 CG TYR A 11 -13.868 8.550 -3.862 1.00 86.68 C +ATOM 68 CD1 TYR A 11 -14.401 8.052 -5.041 1.00 84.53 C +ATOM 69 CD2 TYR A 11 -14.367 9.759 -3.373 1.00 83.34 C +ATOM 70 CE1 TYR A 11 -15.402 8.740 -5.710 1.00 81.50 C +ATOM 71 CE2 TYR A 11 -15.366 10.441 -4.033 1.00 82.09 C +ATOM 72 CZ TYR A 11 -15.880 9.934 -5.198 1.00 81.78 C +ATOM 73 OH TYR A 11 -16.865 10.621 -5.873 1.00 82.64 O +ATOM 74 N THR A 12 -10.246 9.223 -4.255 1.00 92.04 N +ATOM 75 CA THR A 12 -9.390 10.169 -4.983 1.00 92.63 C +ATOM 76 C THR A 12 -8.005 10.216 -4.352 1.00 92.76 C +ATOM 77 O THR A 12 -7.226 11.129 -4.617 1.00 89.20 O +ATOM 78 CB THR A 12 -9.991 11.592 -4.990 1.00 89.80 C +ATOM 79 OG1 THR A 12 -10.187 12.020 -3.648 1.00 86.66 O +ATOM 80 CG2 THR A 12 -11.335 11.628 -5.715 1.00 83.84 C +ATOM 81 N GLY A 13 -7.712 9.252 -3.513 1.00 94.38 N +ATOM 82 CA GLY A 13 -6.529 9.284 -2.687 1.00 93.42 C +ATOM 83 C GLY A 13 -5.354 8.551 -3.283 1.00 93.83 C +ATOM 84 O GLY A 13 -5.428 8.003 -4.385 1.00 93.52 O +ATOM 85 N PRO A 14 -4.252 8.541 -2.551 1.00 94.24 N +ATOM 86 CA PRO A 14 -3.028 7.921 -3.026 1.00 93.88 C +ATOM 87 C PRO A 14 -3.104 6.408 -2.981 1.00 94.20 C +ATOM 88 O PRO A 14 -3.959 5.827 -2.324 1.00 92.54 O +ATOM 89 CB PRO A 14 -1.974 8.442 -2.051 1.00 91.99 C +ATOM 90 CG PRO A 14 -2.731 8.628 -0.785 1.00 90.83 C +ATOM 91 CD PRO A 14 -4.098 9.103 -1.207 1.00 92.75 C +HETATM 92 N HYP A 15 -2.171 5.817 -3.670 1.00 94.68 N +HETATM 93 CA HYP A 15 -2.012 4.378 -3.600 1.00 94.07 C +HETATM 94 C HYP A 15 -1.640 3.921 -2.225 1.00 95.28 C +HETATM 95 O HYP A 15 -1.017 4.687 -1.449 1.00 93.81 O +HETATM 96 CB HYP A 15 -0.800 4.169 -4.569 1.00 91.78 C +HETATM 97 CG HYP A 15 -0.850 5.355 -5.511 1.00 90.80 C +HETATM 98 CD HYP A 15 -1.283 6.474 -4.623 1.00 92.79 C +HETATM 99 OD1 HYP A 15 -1.803 5.132 -6.517 1.00 90.45 O +ATOM 100 N GLY A 16 -2.055 2.757 -1.891 1.00 95.11 N +ATOM 101 CA GLY A 16 -1.643 2.173 -0.651 1.00 94.57 C +ATOM 102 C GLY A 16 -0.165 1.831 -0.664 1.00 95.00 C +ATOM 103 O GLY A 16 0.505 1.936 -1.694 1.00 94.66 O +ATOM 104 N PRO A 17 0.344 1.420 0.491 1.00 92.51 N +ATOM 105 CA PRO A 17 1.751 1.053 0.574 1.00 91.98 C +ATOM 106 C PRO A 17 2.029 -0.244 -0.170 1.00 92.51 C +ATOM 107 O PRO A 17 1.119 -1.014 -0.456 1.00 91.10 O +ATOM 108 CB PRO A 17 1.988 0.907 2.074 1.00 90.08 C +ATOM 109 CG PRO A 17 0.656 0.538 2.611 1.00 88.62 C +ATOM 110 CD PRO A 17 -0.348 1.249 1.761 1.00 90.42 C +HETATM 111 N HYP A 18 3.313 -0.455 -0.467 1.00 88.97 N +HETATM 112 CA HYP A 18 3.699 -1.704 -1.049 1.00 88.55 C +HETATM 113 C HYP A 18 3.350 -2.870 -0.179 1.00 91.08 C +HETATM 114 O HYP A 18 3.319 -2.747 1.070 1.00 90.21 O +HETATM 115 CB HYP A 18 5.239 -1.539 -1.149 1.00 87.95 C +HETATM 116 CG HYP A 18 5.467 -0.050 -1.253 1.00 85.10 C +HETATM 117 CD HYP A 18 4.390 0.506 -0.327 1.00 89.74 C +HETATM 118 OD1 HYP A 18 5.213 0.367 -2.581 1.00 86.88 O +ATOM 119 N GLY A 19 3.023 -3.961 -0.775 1.00 89.92 N +ATOM 120 CA GLY A 19 2.761 -5.166 -0.041 1.00 89.45 C +ATOM 121 C GLY A 19 4.009 -5.680 0.648 1.00 89.82 C +ATOM 122 O GLY A 19 5.111 -5.182 0.434 1.00 90.30 O +ATOM 123 N PRO A 20 3.831 -6.695 1.490 1.00 86.70 N +ATOM 124 CA PRO A 20 4.970 -7.264 2.192 1.00 86.79 C +ATOM 125 C PRO A 20 5.872 -8.035 1.246 1.00 86.82 C +ATOM 126 O PRO A 20 5.467 -8.405 0.151 1.00 87.08 O +ATOM 127 CB PRO A 20 4.315 -8.194 3.214 1.00 84.05 C +ATOM 128 CG PRO A 20 3.034 -8.573 2.579 1.00 81.12 C +ATOM 129 CD PRO A 20 2.585 -7.376 1.792 1.00 83.37 C +HETATM 130 N HYP A 21 7.107 -8.226 1.701 1.00 89.95 N +HETATM 131 CA HYP A 21 8.011 -9.042 0.937 1.00 87.38 C +HETATM 132 C HYP A 21 7.475 -10.427 0.682 1.00 90.19 C +HETATM 133 O HYP A 21 6.765 -10.964 1.535 1.00 90.80 O +HETATM 134 CB HYP A 21 9.279 -9.066 1.763 1.00 87.34 C +HETATM 135 CG HYP A 21 9.221 -7.823 2.613 1.00 84.28 C +HETATM 136 CD HYP A 21 7.746 -7.673 2.907 1.00 88.70 C +HETATM 137 OD1 HYP A 21 9.651 -6.706 1.826 1.00 84.05 O +ATOM 138 N GLY A 22 7.702 -10.950 -0.481 1.00 88.92 N +ATOM 139 CA GLY A 22 7.330 -12.298 -0.784 1.00 86.35 C +ATOM 140 C GLY A 22 8.148 -13.283 0.042 1.00 86.00 C +ATOM 141 O GLY A 22 9.082 -12.900 0.741 1.00 86.19 O +ATOM 142 N PRO A 23 7.820 -14.571 -0.039 1.00 90.24 N +ATOM 143 CA PRO A 23 8.560 -15.575 0.717 1.00 89.85 C +ATOM 144 C PRO A 23 9.922 -15.813 0.084 1.00 88.84 C +ATOM 145 O PRO A 23 10.029 -16.420 -0.975 1.00 85.53 O +ATOM 146 CB PRO A 23 7.657 -16.805 0.650 1.00 86.46 C +ATOM 147 CG PRO A 23 6.860 -16.612 -0.579 1.00 83.04 C +ATOM 148 CD PRO A 23 6.727 -15.128 -0.803 1.00 87.07 C +HETATM 149 N HYP A 24 10.912 -15.186 0.521 1.00 94.25 N +HETATM 150 CA HYP A 24 12.198 -14.690 -0.082 1.00 89.94 C +HETATM 151 C HYP A 24 12.235 -13.866 -1.133 1.00 93.48 C +HETATM 152 O HYP A 24 13.070 -12.829 -1.265 1.00 92.73 O +HETATM 153 CB HYP A 24 13.210 -14.845 0.962 1.00 87.39 C +HETATM 154 CG HYP A 24 12.651 -15.930 1.887 1.00 88.61 C +HETATM 155 CD HYP A 24 11.124 -15.903 1.669 1.00 91.86 C +HETATM 156 OD1 HYP A 24 12.951 -15.651 3.234 1.00 88.94 O +HETATM 157 OXT HYP A 24 12.265 -14.452 -2.342 1.00 87.14 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_389.txt b/protein_pdb_389.txt new file mode 100644 index 0000000000000000000000000000000000000000..7781b7201442dd13fe9941e4335788d9814f0f59 --- /dev/null +++ b/protein_pdb_389.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 15.394 1.814 -0.366 1.00 85.34 N +ATOM 2 CA GLY A 1 14.789 0.530 -0.096 1.00 86.84 C +ATOM 3 C GLY A 1 13.648 0.251 -1.042 1.00 87.72 C +ATOM 4 O GLY A 1 13.330 1.062 -1.912 1.00 85.40 O +ATOM 5 N PRO A 2 12.879 -0.926 -0.885 1.00 89.33 N +ATOM 6 CA PRO A 2 11.774 -1.287 -1.762 1.00 90.19 C +ATOM 7 C PRO A 2 10.535 -0.457 -1.480 1.00 90.51 C +ATOM 8 O PRO A 2 10.434 0.201 -0.446 1.00 88.20 O +ATOM 9 CB PRO A 2 11.531 -2.756 -1.438 1.00 87.59 C +ATOM 10 CG PRO A 2 11.979 -2.879 -0.028 1.00 84.08 C +ATOM 11 CD PRO A 2 13.159 -1.963 0.104 1.00 84.97 C +HETATM 12 N HYP A 3 9.614 -0.489 -2.421 1.00 88.25 N +HETATM 13 CA HYP A 3 8.334 0.180 -2.219 1.00 86.05 C +HETATM 14 C HYP A 3 7.623 -0.339 -0.987 1.00 89.19 C +HETATM 15 O HYP A 3 7.795 -1.536 -0.640 1.00 90.84 O +HETATM 16 CB HYP A 3 7.517 -0.227 -3.487 1.00 86.24 C +HETATM 17 CG HYP A 3 8.561 -0.511 -4.540 1.00 80.08 C +HETATM 18 CD HYP A 3 9.690 -1.167 -3.710 1.00 86.41 C +HETATM 19 OD1 HYP A 3 9.009 0.709 -5.060 1.00 85.16 O +ATOM 20 N GLY A 4 6.912 0.524 -0.329 1.00 91.30 N +ATOM 21 CA GLY A 4 6.174 0.130 0.833 1.00 90.88 C +ATOM 22 C GLY A 4 5.003 -0.761 0.467 1.00 91.91 C +ATOM 23 O GLY A 4 4.694 -0.954 -0.704 1.00 92.16 O +ATOM 24 N PRO A 5 4.329 -1.301 1.476 1.00 92.20 N +ATOM 25 CA PRO A 5 3.190 -2.165 1.221 1.00 92.16 C +ATOM 26 C PRO A 5 1.987 -1.374 0.743 1.00 92.44 C +ATOM 27 O PRO A 5 1.923 -0.161 0.903 1.00 91.41 O +ATOM 28 CB PRO A 5 2.927 -2.804 2.581 1.00 90.85 C +ATOM 29 CG PRO A 5 3.398 -1.774 3.547 1.00 89.03 C +ATOM 30 CD PRO A 5 4.602 -1.150 2.897 1.00 90.75 C +HETATM 31 N HYP A 6 1.034 -2.073 0.108 1.00 89.16 N +HETATM 32 CA HYP A 6 -0.214 -1.457 -0.271 1.00 93.36 C +HETATM 33 C HYP A 6 -0.946 -0.860 0.901 1.00 90.69 C +HETATM 34 O HYP A 6 -0.810 -1.373 2.045 1.00 91.15 O +HETATM 35 CB HYP A 6 -1.003 -2.655 -0.866 1.00 85.10 C +HETATM 36 CG HYP A 6 0.051 -3.602 -1.380 1.00 86.02 C +HETATM 37 CD HYP A 6 1.141 -3.461 -0.324 1.00 87.75 C +HETATM 38 OD1 HYP A 6 0.525 -3.132 -2.614 1.00 88.66 O +ATOM 39 N GLY A 7 -1.648 0.176 0.681 1.00 92.10 N +ATOM 40 CA GLY A 7 -2.403 0.823 1.715 1.00 91.36 C +ATOM 41 C GLY A 7 -3.545 -0.048 2.201 1.00 91.82 C +ATOM 42 O GLY A 7 -3.830 -1.100 1.630 1.00 91.47 O +ATOM 43 N PRO A 8 -4.215 0.400 3.252 1.00 92.70 N +ATOM 44 CA PRO A 8 -5.319 -0.374 3.807 1.00 92.06 C +ATOM 45 C PRO A 8 -6.484 -0.509 2.844 1.00 92.03 C +ATOM 46 O PRO A 8 -6.727 0.368 2.026 1.00 90.34 O +ATOM 47 CB PRO A 8 -5.738 0.425 5.040 1.00 90.02 C +ATOM 48 CG PRO A 8 -4.584 1.295 5.344 1.00 89.27 C +ATOM 49 CD PRO A 8 -3.949 1.602 4.025 1.00 90.73 C +HETATM 50 N HYP A 9 -7.226 -1.596 2.970 1.00 88.65 N +HETATM 51 CA HYP A 9 -8.390 -1.821 2.194 1.00 88.99 C +HETATM 52 C HYP A 9 -9.540 -0.929 2.647 1.00 88.05 C +HETATM 53 O HYP A 9 -9.688 -0.658 3.854 1.00 88.20 O +HETATM 54 CB HYP A 9 -8.814 -3.279 2.590 1.00 79.79 C +HETATM 55 CG HYP A 9 -7.592 -3.902 3.175 1.00 82.34 C +HETATM 56 CD HYP A 9 -6.883 -2.780 3.808 1.00 86.88 C +HETATM 57 OD1 HYP A 9 -6.795 -4.401 2.117 1.00 85.28 O +ATOM 58 N GLY A 10 -10.346 -0.429 1.803 1.00 89.70 N +ATOM 59 CA GLY A 10 -11.558 0.265 2.163 1.00 86.79 C +ATOM 60 C GLY A 10 -12.728 -0.694 2.100 1.00 86.41 C +ATOM 61 O GLY A 10 -12.571 -1.869 1.766 1.00 84.65 O +ATOM 62 N ASN A 11 -13.920 -0.194 2.408 1.00 90.99 N +ATOM 63 CA ASN A 11 -15.097 -1.051 2.314 1.00 91.98 C +ATOM 64 C ASN A 11 -15.403 -1.421 0.869 1.00 92.26 C +ATOM 65 O ASN A 11 -15.835 -2.537 0.585 1.00 90.53 O +ATOM 66 CB ASN A 11 -16.311 -0.366 2.934 1.00 89.71 C +ATOM 67 CG ASN A 11 -16.311 -0.459 4.446 1.00 83.48 C +ATOM 68 OD1 ASN A 11 -15.821 -1.429 5.022 1.00 80.25 O +ATOM 69 ND2 ASN A 11 -16.882 0.541 5.093 1.00 77.49 N +ATOM 70 N HIS A 12 -15.183 -0.468 -0.024 1.00 90.80 N +ATOM 71 CA HIS A 12 -15.427 -0.705 -1.444 1.00 92.11 C +ATOM 72 C HIS A 12 -14.234 -0.338 -2.304 1.00 91.77 C +ATOM 73 O HIS A 12 -14.345 -0.290 -3.530 1.00 87.72 O +ATOM 74 CB HIS A 12 -16.655 0.083 -1.905 1.00 90.85 C +ATOM 75 CG HIS A 12 -17.951 -0.494 -1.407 1.00 87.53 C +ATOM 76 ND1 HIS A 12 -18.599 -0.024 -0.307 1.00 81.82 N +ATOM 77 CD2 HIS A 12 -18.683 -1.507 -1.885 1.00 77.98 C +ATOM 78 CE1 HIS A 12 -19.688 -0.745 -0.127 1.00 80.44 C +ATOM 79 NE2 HIS A 12 -19.775 -1.649 -1.060 1.00 82.58 N +ATOM 80 N GLY A 13 -13.121 -0.082 -1.699 1.00 91.80 N +ATOM 81 CA GLY A 13 -11.951 0.315 -2.442 1.00 90.34 C +ATOM 82 C GLY A 13 -10.846 -0.706 -2.359 1.00 90.74 C +ATOM 83 O GLY A 13 -10.755 -1.460 -1.392 1.00 90.07 O +ATOM 84 N PRO A 14 -10.014 -0.747 -3.364 1.00 91.42 N +ATOM 85 CA PRO A 14 -8.879 -1.657 -3.337 1.00 91.05 C +ATOM 86 C PRO A 14 -7.835 -1.139 -2.359 1.00 91.42 C +ATOM 87 O PRO A 14 -7.910 -0.006 -1.892 1.00 89.69 O +ATOM 88 CB PRO A 14 -8.368 -1.628 -4.770 1.00 89.16 C +ATOM 89 CG PRO A 14 -8.702 -0.259 -5.230 1.00 87.98 C +ATOM 90 CD PRO A 14 -10.024 0.064 -4.583 1.00 88.64 C +HETATM 91 N HYP A 15 -6.910 -1.981 -2.095 1.00 89.25 N +HETATM 92 CA HYP A 15 -5.802 -1.543 -1.289 1.00 89.95 C +HETATM 93 C HYP A 15 -5.133 -0.367 -1.931 1.00 91.27 C +HETATM 94 O HYP A 15 -5.163 -0.253 -3.179 1.00 90.12 O +HETATM 95 CB HYP A 15 -4.929 -2.794 -1.273 1.00 86.59 C +HETATM 96 CG HYP A 15 -5.891 -3.967 -1.501 1.00 84.33 C +HETATM 97 CD HYP A 15 -6.853 -3.390 -2.499 1.00 88.22 C +HETATM 98 OD1 HYP A 15 -6.557 -4.290 -0.320 1.00 87.50 O +ATOM 99 N GLY A 16 -4.592 0.491 -1.132 1.00 93.42 N +ATOM 100 CA GLY A 16 -3.899 1.637 -1.652 1.00 93.05 C +ATOM 101 C GLY A 16 -2.653 1.216 -2.406 1.00 93.94 C +ATOM 102 O GLY A 16 -2.262 0.050 -2.387 1.00 93.60 O +ATOM 103 N PRO A 17 -2.039 2.176 -3.078 1.00 91.03 N +ATOM 104 CA PRO A 17 -0.829 1.863 -3.821 1.00 90.88 C +ATOM 105 C PRO A 17 0.328 1.570 -2.888 1.00 91.43 C +ATOM 106 O PRO A 17 0.304 1.915 -1.714 1.00 89.67 O +ATOM 107 CB PRO A 17 -0.580 3.126 -4.634 1.00 89.36 C +ATOM 108 CG PRO A 17 -1.189 4.201 -3.805 1.00 88.28 C +ATOM 109 CD PRO A 17 -2.410 3.582 -3.183 1.00 89.72 C +HETATM 110 N HYP A 18 1.338 0.905 -3.431 1.00 87.18 N +HETATM 111 CA HYP A 18 2.524 0.702 -2.682 1.00 90.89 C +HETATM 112 C HYP A 18 3.124 1.995 -2.222 1.00 88.59 C +HETATM 113 O HYP A 18 2.982 3.035 -2.912 1.00 91.30 O +HETATM 114 CB HYP A 18 3.450 0.009 -3.720 1.00 84.40 C +HETATM 115 CG HYP A 18 2.503 -0.715 -4.656 1.00 84.45 C +HETATM 116 CD HYP A 18 1.361 0.265 -4.754 1.00 88.99 C +HETATM 117 OD1 HYP A 18 2.052 -1.914 -4.060 1.00 87.16 O +ATOM 118 N GLY A 19 3.723 1.988 -1.085 1.00 89.63 N +ATOM 119 CA GLY A 19 4.367 3.154 -0.561 1.00 88.89 C +ATOM 120 C GLY A 19 5.581 3.518 -1.391 1.00 89.30 C +ATOM 121 O GLY A 19 5.995 2.774 -2.280 1.00 89.83 O +ATOM 122 N PRO A 20 6.160 4.665 -1.095 1.00 82.62 N +ATOM 123 CA PRO A 20 7.330 5.089 -1.843 1.00 83.09 C +ATOM 124 C PRO A 20 8.545 4.243 -1.515 1.00 82.70 C +ATOM 125 O PRO A 20 8.588 3.564 -0.489 1.00 83.44 O +ATOM 126 CB PRO A 20 7.521 6.533 -1.383 1.00 81.11 C +ATOM 127 CG PRO A 20 6.956 6.536 -0.015 1.00 78.47 C +ATOM 128 CD PRO A 20 5.779 5.617 -0.061 1.00 79.32 C +HETATM 129 N HYP A 21 9.502 4.279 -2.401 1.00 83.55 N +HETATM 130 CA HYP A 21 10.739 3.622 -2.145 1.00 85.49 C +HETATM 131 C HYP A 21 11.433 4.145 -0.904 1.00 85.68 C +HETATM 132 O HYP A 21 11.215 5.311 -0.542 1.00 90.85 O +HETATM 133 CB HYP A 21 11.584 3.924 -3.391 1.00 83.64 C +HETATM 134 CG HYP A 21 10.570 4.144 -4.484 1.00 79.14 C +HETATM 135 CD HYP A 21 9.465 4.843 -3.758 1.00 85.47 C +HETATM 136 OD1 HYP A 21 10.108 2.881 -4.942 1.00 83.77 O +ATOM 137 N GLY A 22 12.128 3.319 -0.230 1.00 88.94 N +ATOM 138 CA GLY A 22 12.855 3.727 0.937 1.00 86.76 C +ATOM 139 C GLY A 22 13.987 4.661 0.557 1.00 86.60 C +ATOM 140 O GLY A 22 14.168 4.997 -0.613 1.00 86.84 O +ATOM 141 N PRO A 23 14.771 5.089 1.536 1.00 90.44 N +ATOM 142 CA PRO A 23 15.878 5.987 1.251 1.00 89.97 C +ATOM 143 C PRO A 23 16.920 5.311 0.374 1.00 88.90 C +ATOM 144 O PRO A 23 16.999 4.094 0.300 1.00 85.65 O +ATOM 145 CB PRO A 23 16.429 6.328 2.623 1.00 86.72 C +ATOM 146 CG PRO A 23 16.028 5.179 3.468 1.00 84.99 C +ATOM 147 CD PRO A 23 14.702 4.732 2.941 1.00 87.51 C +HETATM 148 N HYP A 24 17.701 6.018 -0.274 1.00 90.45 N +HETATM 149 CA HYP A 24 18.702 5.428 -1.171 1.00 86.44 C +HETATM 150 C HYP A 24 19.210 4.149 -0.691 1.00 90.17 C +HETATM 151 O HYP A 24 20.243 4.053 -0.072 1.00 85.23 O +HETATM 152 CB HYP A 24 19.700 6.508 -1.402 1.00 85.73 C +HETATM 153 CG HYP A 24 19.056 7.796 -0.980 1.00 85.37 C +HETATM 154 CD HYP A 24 17.988 7.384 0.033 1.00 88.41 C +HETATM 155 OD1 HYP A 24 18.396 8.405 -2.078 1.00 84.88 O +HETATM 156 OXT HYP A 24 18.597 3.127 -1.058 1.00 81.78 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_39.txt b/protein_pdb_39.txt new file mode 100644 index 0000000000000000000000000000000000000000..9d9e68ad8f01a264c70b9adb99207cd3114ca400 --- /dev/null +++ b/protein_pdb_39.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 30.020 -10.787 13.953 1.00 82.24 N +ATOM 2 CA GLY A 1 30.082 -10.139 12.643 1.00 86.21 C +ATOM 3 C GLY A 1 29.261 -8.873 12.617 1.00 86.20 C +ATOM 4 O GLY A 1 28.508 -8.599 13.549 1.00 83.76 O +ATOM 5 N PRO A 2 29.382 -8.083 11.573 1.00 87.24 N +ATOM 6 CA PRO A 2 28.623 -6.843 11.469 1.00 90.05 C +ATOM 7 C PRO A 2 27.141 -7.120 11.271 1.00 90.23 C +ATOM 8 O PRO A 2 26.752 -8.199 10.839 1.00 90.32 O +ATOM 9 CB PRO A 2 29.229 -6.145 10.248 1.00 88.75 C +ATOM 10 CG PRO A 2 29.708 -7.274 9.403 1.00 84.71 C +ATOM 11 CD PRO A 2 30.218 -8.303 10.386 1.00 85.73 C +HETATM 12 N HYP A 3 26.374 -6.180 11.629 1.00 83.85 N +HETATM 13 CA HYP A 3 24.915 -6.246 11.371 1.00 81.98 C +HETATM 14 C HYP A 3 24.613 -6.468 9.909 1.00 83.18 C +HETATM 15 O HYP A 3 25.322 -5.933 9.005 1.00 89.34 O +HETATM 16 CB HYP A 3 24.424 -4.877 11.856 1.00 83.94 C +HETATM 17 CG HYP A 3 25.428 -4.432 12.886 1.00 78.74 C +HETATM 18 CD HYP A 3 26.772 -4.931 12.286 1.00 82.71 C +HETATM 19 OD1 HYP A 3 25.212 -5.066 14.109 1.00 89.37 O +ATOM 20 N GLY A 4 23.577 -7.288 9.648 1.00 91.21 N +ATOM 21 CA GLY A 4 23.152 -7.513 8.290 1.00 89.97 C +ATOM 22 C GLY A 4 22.535 -6.252 7.706 1.00 89.90 C +ATOM 23 O GLY A 4 22.276 -5.282 8.422 1.00 90.55 O +ATOM 24 N PRO A 5 22.294 -6.257 6.401 1.00 93.14 N +ATOM 25 CA PRO A 5 21.693 -5.095 5.764 1.00 92.99 C +ATOM 26 C PRO A 5 20.251 -4.906 6.204 1.00 93.20 C +ATOM 27 O PRO A 5 19.610 -5.843 6.672 1.00 93.03 O +ATOM 28 CB PRO A 5 21.796 -5.409 4.269 1.00 91.38 C +ATOM 29 CG PRO A 5 21.749 -6.903 4.237 1.00 88.87 C +ATOM 30 CD PRO A 5 22.517 -7.343 5.455 1.00 90.71 C +HETATM 31 N HYP A 6 19.777 -3.704 6.062 1.00 87.16 N +HETATM 32 CA HYP A 6 18.348 -3.443 6.320 1.00 92.35 C +HETATM 33 C HYP A 6 17.488 -4.315 5.463 1.00 90.15 C +HETATM 34 O HYP A 6 17.819 -4.608 4.297 1.00 91.10 O +HETATM 35 CB HYP A 6 18.223 -1.944 5.960 1.00 88.00 C +HETATM 36 CG HYP A 6 19.600 -1.359 6.211 1.00 86.07 C +HETATM 37 CD HYP A 6 20.504 -2.487 5.725 1.00 87.16 C +HETATM 38 OD1 HYP A 6 19.792 -1.138 7.594 1.00 89.80 O +ATOM 39 N GLY A 7 16.355 -4.762 6.060 1.00 94.03 N +ATOM 40 CA GLY A 7 15.410 -5.570 5.343 1.00 92.85 C +ATOM 41 C GLY A 7 14.737 -4.774 4.237 1.00 93.04 C +ATOM 42 O GLY A 7 14.888 -3.551 4.158 1.00 93.02 O +ATOM 43 N PRO A 8 13.983 -5.459 3.388 1.00 93.20 N +ATOM 44 CA PRO A 8 13.293 -4.770 2.306 1.00 92.95 C +ATOM 45 C PRO A 8 12.161 -3.905 2.841 1.00 93.22 C +ATOM 46 O PRO A 8 11.692 -4.105 3.956 1.00 91.97 O +ATOM 47 CB PRO A 8 12.768 -5.904 1.433 1.00 91.38 C +ATOM 48 CG PRO A 8 12.570 -7.019 2.404 1.00 90.70 C +ATOM 49 CD PRO A 8 13.710 -6.887 3.391 1.00 92.70 C +HETATM 50 N HYP A 9 11.727 -2.941 2.075 1.00 87.99 N +HETATM 51 CA HYP A 9 10.594 -2.141 2.413 1.00 91.55 C +HETATM 52 C HYP A 9 9.371 -2.978 2.621 1.00 90.38 C +HETATM 53 O HYP A 9 9.176 -4.016 1.971 1.00 91.65 O +HETATM 54 CB HYP A 9 10.469 -1.227 1.125 1.00 88.42 C +HETATM 55 CG HYP A 9 11.889 -1.118 0.601 1.00 85.89 C +HETATM 56 CD HYP A 9 12.422 -2.517 0.850 1.00 88.82 C +HETATM 57 OD1 HYP A 9 12.637 -0.174 1.344 1.00 88.20 O +ATOM 58 N GLY A 10 8.518 -2.537 3.568 1.00 91.50 N +ATOM 59 CA GLY A 10 7.286 -3.229 3.837 1.00 90.29 C +ATOM 60 C GLY A 10 6.359 -3.197 2.640 1.00 90.04 C +ATOM 61 O GLY A 10 6.589 -2.484 1.656 1.00 88.28 O +ATOM 62 N LYS A 11 5.292 -3.974 2.735 1.00 90.17 N +ATOM 63 CA LYS A 11 4.295 -4.016 1.663 1.00 90.56 C +ATOM 64 C LYS A 11 3.626 -2.663 1.507 1.00 90.28 C +ATOM 65 O LYS A 11 3.588 -1.861 2.432 1.00 89.90 O +ATOM 66 CB LYS A 11 3.245 -5.071 1.960 1.00 87.40 C +ATOM 67 CG LYS A 11 3.749 -6.489 1.810 1.00 82.05 C +ATOM 68 CD LYS A 11 2.613 -7.480 1.895 1.00 81.23 C +ATOM 69 CE LYS A 11 3.062 -8.896 1.576 1.00 77.34 C +ATOM 70 NZ LYS A 11 1.921 -9.819 1.518 1.00 73.16 N +HETATM 71 N HYP A 12 3.057 -2.348 0.343 1.00 86.48 N +HETATM 72 CA HYP A 12 2.291 -1.170 0.130 1.00 88.73 C +HETATM 73 C HYP A 12 1.168 -1.055 1.138 1.00 89.92 C +HETATM 74 O HYP A 12 0.731 -2.061 1.734 1.00 90.49 O +HETATM 75 CB HYP A 12 1.773 -1.425 -1.318 1.00 86.85 C +HETATM 76 CG HYP A 12 2.851 -2.192 -1.953 1.00 82.91 C +HETATM 77 CD HYP A 12 3.249 -3.124 -0.880 1.00 87.20 C +HETATM 78 OD1 HYP A 12 3.918 -1.361 -2.320 1.00 87.13 O +ATOM 79 N GLY A 13 0.718 0.156 1.312 1.00 92.81 N +ATOM 80 CA GLY A 13 -0.389 0.388 2.197 1.00 91.78 C +ATOM 81 C GLY A 13 -1.661 -0.237 1.662 1.00 91.53 C +ATOM 82 O GLY A 13 -1.691 -0.769 0.550 1.00 90.85 O +ATOM 83 N PRO A 14 -2.740 -0.185 2.459 1.00 93.10 N +ATOM 84 CA PRO A 14 -4.002 -0.771 2.033 1.00 93.46 C +ATOM 85 C PRO A 14 -4.614 0.004 0.865 1.00 93.41 C +ATOM 86 O PRO A 14 -4.309 1.166 0.653 1.00 91.96 O +ATOM 87 CB PRO A 14 -4.873 -0.671 3.276 1.00 91.74 C +ATOM 88 CG PRO A 14 -4.321 0.496 4.008 1.00 90.19 C +ATOM 89 CD PRO A 14 -2.838 0.428 3.779 1.00 91.54 C +HETATM 90 N HYP A 15 -5.499 -0.637 0.103 1.00 87.77 N +HETATM 91 CA HYP A 15 -6.191 -0.028 -0.968 1.00 91.27 C +HETATM 92 C HYP A 15 -7.048 1.173 -0.477 1.00 90.78 C +HETATM 93 O HYP A 15 -7.507 1.165 0.675 1.00 91.32 O +HETATM 94 CB HYP A 15 -7.143 -1.172 -1.429 1.00 88.36 C +HETATM 95 CG HYP A 15 -6.342 -2.384 -1.153 1.00 84.75 C +HETATM 96 CD HYP A 15 -5.717 -2.042 0.178 1.00 87.53 C +HETATM 97 OD1 HYP A 15 -5.380 -2.592 -2.124 1.00 88.16 O +ATOM 98 N GLY A 16 -7.181 2.111 -1.338 1.00 92.34 N +ATOM 99 CA GLY A 16 -8.020 3.226 -1.012 1.00 91.47 C +ATOM 100 C GLY A 16 -9.474 2.798 -0.923 1.00 92.11 C +ATOM 101 O GLY A 16 -9.824 1.664 -1.258 1.00 92.54 O +ATOM 102 N PRO A 17 -10.343 3.710 -0.482 1.00 91.73 N +ATOM 103 CA PRO A 17 -11.759 3.377 -0.375 1.00 92.45 C +ATOM 104 C PRO A 17 -12.384 3.217 -1.749 1.00 92.82 C +ATOM 105 O PRO A 17 -11.867 3.703 -2.743 1.00 92.20 O +ATOM 106 CB PRO A 17 -12.339 4.576 0.370 1.00 91.25 C +ATOM 107 CG PRO A 17 -11.434 5.694 0.002 1.00 89.97 C +ATOM 108 CD PRO A 17 -10.056 5.078 -0.069 1.00 91.75 C +HETATM 109 N HYP A 18 -13.501 2.531 -1.836 1.00 87.27 N +HETATM 110 CA HYP A 18 -14.251 2.397 -3.043 1.00 91.55 C +HETATM 111 C HYP A 18 -14.680 3.756 -3.598 1.00 88.56 C +HETATM 112 O HYP A 18 -14.910 4.701 -2.838 1.00 92.03 O +HETATM 113 CB HYP A 18 -15.443 1.562 -2.625 1.00 89.25 C +HETATM 114 CG HYP A 18 -14.930 0.738 -1.485 1.00 85.54 C +HETATM 115 CD HYP A 18 -14.014 1.727 -0.781 1.00 88.21 C +HETATM 116 OD1 HYP A 18 -14.169 -0.345 -1.930 1.00 91.44 O +ATOM 117 N GLY A 19 -14.714 3.827 -4.915 1.00 92.63 N +ATOM 118 CA GLY A 19 -15.154 5.029 -5.562 1.00 91.58 C +ATOM 119 C GLY A 19 -16.623 5.294 -5.255 1.00 91.80 C +ATOM 120 O GLY A 19 -17.318 4.450 -4.689 1.00 91.77 O +ATOM 121 N PRO A 20 -17.110 6.457 -5.652 1.00 90.63 N +ATOM 122 CA PRO A 20 -18.504 6.791 -5.403 1.00 90.56 C +ATOM 123 C PRO A 20 -19.430 5.968 -6.281 1.00 90.71 C +ATOM 124 O PRO A 20 -19.012 5.405 -7.292 1.00 89.90 O +ATOM 125 CB PRO A 20 -18.573 8.277 -5.748 1.00 88.53 C +ATOM 126 CG PRO A 20 -17.508 8.446 -6.777 1.00 85.90 C +ATOM 127 CD PRO A 20 -16.397 7.524 -6.343 1.00 88.31 C +HETATM 128 N HYP A 21 -20.694 5.848 -5.923 1.00 91.55 N +HETATM 129 CA HYP A 21 -21.701 5.194 -6.712 1.00 91.76 C +HETATM 130 C HYP A 21 -21.818 5.798 -8.111 1.00 92.47 C +HETATM 131 O HYP A 21 -21.607 7.012 -8.265 1.00 91.76 O +HETATM 132 CB HYP A 21 -22.967 5.395 -5.917 1.00 91.28 C +HETATM 133 CG HYP A 21 -22.497 5.495 -4.493 1.00 88.90 C +HETATM 134 CD HYP A 21 -21.188 6.251 -4.644 1.00 90.57 C +HETATM 135 OD1 HYP A 21 -22.217 4.232 -3.953 1.00 90.34 O +ATOM 136 N GLY A 22 -22.109 4.977 -9.098 1.00 90.80 N +ATOM 137 CA GLY A 22 -22.300 5.439 -10.441 1.00 89.59 C +ATOM 138 C GLY A 22 -23.496 6.376 -10.533 1.00 89.72 C +ATOM 139 O GLY A 22 -24.240 6.548 -9.562 1.00 89.80 O +ATOM 140 N PRO A 23 -23.720 6.961 -11.711 1.00 87.21 N +ATOM 141 CA PRO A 23 -24.840 7.877 -11.874 1.00 87.69 C +ATOM 142 C PRO A 23 -26.161 7.145 -11.802 1.00 87.62 C +ATOM 143 O PRO A 23 -26.235 5.943 -12.049 1.00 85.14 O +ATOM 144 CB PRO A 23 -24.605 8.492 -13.254 1.00 84.38 C +ATOM 145 CG PRO A 23 -23.856 7.433 -13.978 1.00 81.82 C +ATOM 146 CD PRO A 23 -22.964 6.796 -12.945 1.00 84.02 C +HETATM 147 N HYP A 24 -27.212 7.843 -11.517 1.00 86.86 N +HETATM 148 CA HYP A 24 -28.484 7.197 -11.500 1.00 90.13 C +HETATM 149 C HYP A 24 -28.771 6.514 -12.790 1.00 86.99 C +HETATM 150 O HYP A 24 -28.210 6.972 -13.794 1.00 88.04 O +HETATM 151 CB HYP A 24 -29.452 8.396 -11.231 1.00 88.49 C +HETATM 152 CG HYP A 24 -28.632 9.452 -10.580 1.00 85.02 C +HETATM 153 CD HYP A 24 -27.241 9.254 -11.206 1.00 86.72 C +HETATM 154 OD1 HYP A 24 -28.518 9.188 -9.196 1.00 86.22 O +HETATM 155 OXT HYP A 24 -29.578 5.566 -12.742 1.00 82.95 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_390.txt b/protein_pdb_390.txt new file mode 100644 index 0000000000000000000000000000000000000000..c53c9709a948799892fca19c556cd1a78c90ec56 --- /dev/null +++ b/protein_pdb_390.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 4.099 -15.371 -5.327 1.00 90.54 N +ATOM 2 CA GLY A 1 3.325 -14.473 -6.115 1.00 90.93 C +ATOM 3 C GLY A 1 3.910 -13.080 -6.209 1.00 91.53 C +ATOM 4 O GLY A 1 4.907 -12.771 -5.551 1.00 89.72 O +ATOM 5 N PRO A 2 3.303 -12.261 -6.985 1.00 89.54 N +ATOM 6 CA PRO A 2 3.781 -10.906 -7.181 1.00 89.68 C +ATOM 7 C PRO A 2 3.464 -10.009 -5.995 1.00 89.73 C +ATOM 8 O PRO A 2 2.688 -10.368 -5.113 1.00 87.53 O +ATOM 9 CB PRO A 2 3.027 -10.465 -8.431 1.00 86.36 C +ATOM 10 CG PRO A 2 1.756 -11.229 -8.363 1.00 82.99 C +ATOM 11 CD PRO A 2 2.120 -12.558 -7.773 1.00 84.28 C +HETATM 12 N HYP A 3 4.070 -8.848 -6.022 1.00 90.57 N +HETATM 13 CA HYP A 3 3.789 -7.878 -4.970 1.00 89.86 C +HETATM 14 C HYP A 3 2.336 -7.482 -4.951 1.00 91.68 C +HETATM 15 O HYP A 3 1.666 -7.515 -6.009 1.00 92.76 O +HETATM 16 CB HYP A 3 4.672 -6.673 -5.407 1.00 88.85 C +HETATM 17 CG HYP A 3 5.792 -7.307 -6.188 1.00 85.48 C +HETATM 18 CD HYP A 3 5.077 -8.460 -6.932 1.00 89.81 C +HETATM 19 OD1 HYP A 3 6.722 -7.835 -5.288 1.00 87.68 O +ATOM 20 N GLY A 4 1.836 -7.208 -3.788 1.00 92.60 N +ATOM 21 CA GLY A 4 0.475 -6.773 -3.643 1.00 91.95 C +ATOM 22 C GLY A 4 0.277 -5.390 -4.229 1.00 92.61 C +ATOM 23 O GLY A 4 1.222 -4.729 -4.649 1.00 92.58 O +ATOM 24 N PRO A 5 -0.971 -4.946 -4.265 1.00 91.64 N +ATOM 25 CA PRO A 5 -1.267 -3.630 -4.815 1.00 91.06 C +ATOM 26 C PRO A 5 -0.745 -2.519 -3.924 1.00 90.84 C +ATOM 27 O PRO A 5 -0.486 -2.719 -2.743 1.00 89.78 O +ATOM 28 CB PRO A 5 -2.794 -3.618 -4.889 1.00 89.49 C +ATOM 29 CG PRO A 5 -3.213 -4.554 -3.814 1.00 88.28 C +ATOM 30 CD PRO A 5 -2.168 -5.626 -3.784 1.00 90.32 C +HETATM 31 N HYP A 6 -0.571 -1.342 -4.519 1.00 92.98 N +HETATM 32 CA HYP A 6 -0.186 -0.179 -3.754 1.00 93.48 C +HETATM 33 C HYP A 6 -1.163 0.142 -2.664 1.00 93.77 C +HETATM 34 O HYP A 6 -2.374 -0.166 -2.786 1.00 92.93 O +HETATM 35 CB HYP A 6 -0.217 0.917 -4.854 1.00 88.92 C +HETATM 36 CG HYP A 6 0.078 0.170 -6.135 1.00 87.62 C +HETATM 37 CD HYP A 6 -0.685 -1.126 -5.939 1.00 91.35 C +HETATM 38 OD1 HYP A 6 1.463 -0.097 -6.209 1.00 88.61 O +ATOM 39 N GLY A 7 -0.671 0.634 -1.585 1.00 91.72 N +ATOM 40 CA GLY A 7 -1.508 1.041 -0.491 1.00 90.95 C +ATOM 41 C GLY A 7 -2.408 2.193 -0.894 1.00 91.40 C +ATOM 42 O GLY A 7 -2.291 2.753 -1.973 1.00 91.44 O +ATOM 43 N PRO A 8 -3.328 2.535 -0.013 1.00 90.14 N +ATOM 44 CA PRO A 8 -4.246 3.621 -0.323 1.00 90.05 C +ATOM 45 C PRO A 8 -3.538 4.966 -0.343 1.00 90.32 C +ATOM 46 O PRO A 8 -2.505 5.155 0.283 1.00 88.44 O +ATOM 47 CB PRO A 8 -5.275 3.548 0.802 1.00 87.38 C +ATOM 48 CG PRO A 8 -4.534 2.925 1.925 1.00 86.98 C +ATOM 49 CD PRO A 8 -3.573 1.957 1.297 1.00 88.90 C +HETATM 50 N HYP A 9 -4.122 5.914 -1.058 1.00 91.97 N +HETATM 51 CA HYP A 9 -3.593 7.223 -1.128 1.00 88.17 C +HETATM 52 C HYP A 9 -3.665 7.915 0.210 1.00 91.98 C +HETATM 53 O HYP A 9 -4.558 7.639 1.027 1.00 91.27 O +HETATM 54 CB HYP A 9 -4.567 7.953 -2.100 1.00 86.52 C +HETATM 55 CG HYP A 9 -5.220 6.875 -2.870 1.00 85.87 C +HETATM 56 CD HYP A 9 -5.280 5.719 -1.942 1.00 90.71 C +HETATM 57 OD1 HYP A 9 -4.367 6.528 -3.952 1.00 86.18 O +ATOM 58 N GLY A 10 -2.751 8.770 0.496 1.00 90.31 N +ATOM 59 CA GLY A 10 -2.870 9.649 1.628 1.00 88.71 C +ATOM 60 C GLY A 10 -3.992 10.634 1.381 1.00 89.09 C +ATOM 61 O GLY A 10 -4.615 10.654 0.315 1.00 87.07 O +ATOM 62 N LEU A 11 -4.252 11.470 2.362 1.00 87.99 N +ATOM 63 CA LEU A 11 -5.335 12.434 2.227 1.00 90.31 C +ATOM 64 C LEU A 11 -5.195 13.243 0.941 1.00 90.37 C +ATOM 65 O LEU A 11 -6.186 13.525 0.260 1.00 87.65 O +ATOM 66 CB LEU A 11 -5.352 13.352 3.449 1.00 88.93 C +ATOM 67 CG LEU A 11 -6.527 14.301 3.553 1.00 83.92 C +ATOM 68 CD1 LEU A 11 -7.845 13.572 3.540 1.00 81.88 C +ATOM 69 CD2 LEU A 11 -6.401 15.146 4.822 1.00 77.78 C +ATOM 70 N SER A 12 -3.968 13.601 0.610 1.00 91.20 N +ATOM 71 CA SER A 12 -3.667 14.267 -0.652 1.00 92.07 C +ATOM 72 C SER A 12 -2.300 13.810 -1.138 1.00 92.72 C +ATOM 73 O SER A 12 -1.532 14.584 -1.698 1.00 87.99 O +ATOM 74 CB SER A 12 -3.722 15.790 -0.491 1.00 87.74 C +ATOM 75 OG SER A 12 -2.771 16.218 0.449 1.00 80.61 O +ATOM 76 N GLY A 13 -2.003 12.557 -0.906 1.00 94.80 N +ATOM 77 CA GLY A 13 -0.687 12.031 -1.183 1.00 94.14 C +ATOM 78 C GLY A 13 -0.701 10.804 -2.066 1.00 94.79 C +ATOM 79 O GLY A 13 -1.759 10.335 -2.489 1.00 94.43 O +ATOM 80 N PRO A 14 0.472 10.283 -2.349 1.00 94.51 N +ATOM 81 CA PRO A 14 0.601 9.145 -3.237 1.00 94.38 C +ATOM 82 C PRO A 14 0.153 7.854 -2.587 1.00 94.51 C +ATOM 83 O PRO A 14 0.013 7.761 -1.370 1.00 93.28 O +ATOM 84 CB PRO A 14 2.099 9.104 -3.541 1.00 92.68 C +ATOM 85 CG PRO A 14 2.717 9.653 -2.304 1.00 91.28 C +ATOM 86 CD PRO A 14 1.772 10.728 -1.838 1.00 92.62 C +HETATM 87 N HYP A 15 -0.047 6.898 -3.418 1.00 92.86 N +HETATM 88 CA HYP A 15 -0.346 5.559 -2.950 1.00 93.28 C +HETATM 89 C HYP A 15 0.779 5.012 -2.132 1.00 94.48 C +HETATM 90 O HYP A 15 1.959 5.410 -2.316 1.00 93.87 O +HETATM 91 CB HYP A 15 -0.455 4.808 -4.302 1.00 90.61 C +HETATM 92 CG HYP A 15 -0.851 5.869 -5.305 1.00 88.61 C +HETATM 93 CD HYP A 15 -0.082 7.063 -4.859 1.00 92.30 C +HETATM 94 OD1 HYP A 15 -2.226 6.124 -5.229 1.00 90.28 O +ATOM 95 N GLY A 16 0.466 4.160 -1.227 1.00 94.81 N +ATOM 96 CA GLY A 16 1.485 3.485 -0.475 1.00 94.55 C +ATOM 97 C GLY A 16 2.261 2.519 -1.348 1.00 94.73 C +ATOM 98 O GLY A 16 1.931 2.309 -2.511 1.00 94.45 O +ATOM 99 N PRO A 17 3.308 1.932 -0.772 1.00 93.40 N +ATOM 100 CA PRO A 17 4.115 0.991 -1.537 1.00 93.38 C +ATOM 101 C PRO A 17 3.367 -0.301 -1.812 1.00 93.62 C +ATOM 102 O PRO A 17 2.376 -0.613 -1.158 1.00 92.03 O +ATOM 103 CB PRO A 17 5.320 0.761 -0.636 1.00 91.71 C +ATOM 104 CG PRO A 17 4.815 1.028 0.734 1.00 90.39 C +ATOM 105 CD PRO A 17 3.792 2.111 0.593 1.00 92.32 C +HETATM 106 N HYP A 18 3.857 -1.034 -2.805 1.00 89.69 N +HETATM 107 CA HYP A 18 3.294 -2.331 -3.080 1.00 89.98 C +HETATM 108 C HYP A 18 3.386 -3.255 -1.906 1.00 92.05 C +HETATM 109 O HYP A 18 4.321 -3.145 -1.087 1.00 90.98 O +HETATM 110 CB HYP A 18 4.226 -2.822 -4.226 1.00 88.23 C +HETATM 111 CG HYP A 18 4.687 -1.559 -4.907 1.00 85.04 C +HETATM 112 CD HYP A 18 4.874 -0.628 -3.738 1.00 90.13 C +HETATM 113 OD1 HYP A 18 3.669 -1.078 -5.753 1.00 88.43 O +ATOM 114 N GLY A 19 2.430 -4.096 -1.780 1.00 88.70 N +ATOM 115 CA GLY A 19 2.440 -5.076 -0.734 1.00 88.39 C +ATOM 116 C GLY A 19 3.565 -6.074 -0.923 1.00 88.41 C +ATOM 117 O GLY A 19 4.252 -6.070 -1.941 1.00 89.13 O +ATOM 118 N PRO A 20 3.747 -6.938 0.062 1.00 85.61 N +ATOM 119 CA PRO A 20 4.796 -7.934 -0.036 1.00 85.85 C +ATOM 120 C PRO A 20 4.469 -8.978 -1.094 1.00 85.41 C +ATOM 121 O PRO A 20 3.319 -9.120 -1.500 1.00 85.45 O +ATOM 122 CB PRO A 20 4.825 -8.546 1.361 1.00 84.14 C +ATOM 123 CG PRO A 20 3.437 -8.360 1.858 1.00 82.73 C +ATOM 124 CD PRO A 20 2.978 -7.056 1.289 1.00 84.44 C +HETATM 125 N HYP A 21 5.504 -9.679 -1.518 1.00 90.26 N +HETATM 126 CA HYP A 21 5.290 -10.756 -2.453 1.00 87.68 C +HETATM 127 C HYP A 21 4.328 -11.798 -1.924 1.00 90.66 C +HETATM 128 O HYP A 21 4.304 -12.042 -0.724 1.00 92.08 O +HETATM 129 CB HYP A 21 6.672 -11.338 -2.670 1.00 86.80 C +HETATM 130 CG HYP A 21 7.617 -10.207 -2.374 1.00 82.16 C +HETATM 131 CD HYP A 21 6.931 -9.477 -1.238 1.00 89.20 C +HETATM 132 OD1 HYP A 21 7.683 -9.333 -3.501 1.00 83.44 O +ATOM 133 N GLY A 22 3.507 -12.300 -2.779 1.00 89.01 N +ATOM 134 CA GLY A 22 2.598 -13.340 -2.403 1.00 87.06 C +ATOM 135 C GLY A 22 3.353 -14.625 -2.115 1.00 87.04 C +ATOM 136 O GLY A 22 4.558 -14.716 -2.340 1.00 87.12 O +ATOM 137 N PRO A 23 2.649 -15.649 -1.635 1.00 90.21 N +ATOM 138 CA PRO A 23 3.296 -16.929 -1.367 1.00 90.36 C +ATOM 139 C PRO A 23 3.646 -17.614 -2.673 1.00 89.23 C +ATOM 140 O PRO A 23 2.758 -18.076 -3.391 1.00 86.38 O +ATOM 141 CB PRO A 23 2.250 -17.687 -0.564 1.00 87.37 C +ATOM 142 CG PRO A 23 0.956 -17.086 -0.973 1.00 83.88 C +ATOM 143 CD PRO A 23 1.241 -15.648 -1.307 1.00 87.19 C +HETATM 144 N HYP A 24 4.810 -17.579 -3.123 1.00 93.77 N +HETATM 145 CA HYP A 24 5.287 -17.686 -4.528 1.00 88.62 C +HETATM 146 C HYP A 24 4.829 -16.860 -5.516 1.00 93.29 C +HETATM 147 O HYP A 24 4.078 -17.355 -6.478 1.00 91.64 O +HETATM 148 CB HYP A 24 6.530 -18.470 -4.466 1.00 87.14 C +HETATM 149 CG HYP A 24 6.415 -19.265 -3.148 1.00 85.69 C +HETATM 150 CD HYP A 24 5.313 -18.559 -2.320 1.00 91.06 C +HETATM 151 OD1 HYP A 24 7.614 -19.203 -2.404 1.00 88.34 O +HETATM 152 OXT HYP A 24 5.785 -16.070 -6.146 1.00 87.60 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_391.txt b/protein_pdb_391.txt new file mode 100644 index 0000000000000000000000000000000000000000..aaf857b3326e607469f9de3ebd62b3e41510c447 --- /dev/null +++ b/protein_pdb_391.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -17.068 30.474 -7.422 1.00 91.50 N +ATOM 2 CA GLY A 1 -16.938 29.804 -6.133 1.00 92.62 C +ATOM 3 C GLY A 1 -15.500 29.450 -5.832 1.00 93.44 C +ATOM 4 O GLY A 1 -14.634 29.571 -6.701 1.00 91.51 O +ATOM 5 N PRO A 2 -15.206 29.002 -4.637 1.00 94.62 N +ATOM 6 CA PRO A 2 -13.844 28.631 -4.263 1.00 95.18 C +ATOM 7 C PRO A 2 -13.413 27.346 -4.962 1.00 95.60 C +ATOM 8 O PRO A 2 -14.243 26.566 -5.414 1.00 93.99 O +ATOM 9 CB PRO A 2 -13.918 28.455 -2.751 1.00 93.14 C +ATOM 10 CG PRO A 2 -15.322 28.013 -2.530 1.00 90.76 C +ATOM 11 CD PRO A 2 -16.133 28.801 -3.525 1.00 92.44 C +HETATM 12 N HYP A 3 -12.143 27.151 -5.066 1.00 95.87 N +HETATM 13 CA HYP A 3 -11.582 25.909 -5.591 1.00 95.76 C +HETATM 14 C HYP A 3 -12.055 24.706 -4.848 1.00 96.88 C +HETATM 15 O HYP A 3 -12.304 24.800 -3.634 1.00 95.52 O +HETATM 16 CB HYP A 3 -10.119 26.109 -5.494 1.00 94.78 C +HETATM 17 CG HYP A 3 -9.941 27.585 -5.450 1.00 94.11 C +HETATM 18 CD HYP A 3 -11.137 28.051 -4.665 1.00 95.40 C +HETATM 19 OD1 HYP A 3 -9.945 28.169 -6.717 1.00 94.02 O +ATOM 20 N GLY A 4 -12.194 23.603 -5.551 1.00 97.32 N +ATOM 21 CA GLY A 4 -12.596 22.369 -4.920 1.00 96.87 C +ATOM 22 C GLY A 4 -11.524 21.878 -3.964 1.00 96.94 C +ATOM 23 O GLY A 4 -10.388 22.351 -3.981 1.00 96.58 O +ATOM 24 N PRO A 5 -11.869 20.902 -3.133 1.00 96.54 N +ATOM 25 CA PRO A 5 -10.908 20.364 -2.170 1.00 96.19 C +ATOM 26 C PRO A 5 -9.843 19.524 -2.865 1.00 96.40 C +ATOM 27 O PRO A 5 -10.038 19.041 -3.971 1.00 95.92 O +ATOM 28 CB PRO A 5 -11.772 19.524 -1.234 1.00 94.99 C +ATOM 29 CG PRO A 5 -12.872 19.064 -2.127 1.00 93.70 C +ATOM 30 CD PRO A 5 -13.158 20.234 -3.034 1.00 95.65 C +HETATM 31 N HYP A 6 -8.738 19.372 -2.227 1.00 96.68 N +HETATM 32 CA HYP A 6 -7.702 18.428 -2.687 1.00 95.96 C +HETATM 33 C HYP A 6 -8.203 17.036 -2.802 1.00 97.05 C +HETATM 34 O HYP A 6 -9.088 16.641 -2.034 1.00 95.68 O +HETATM 35 CB HYP A 6 -6.624 18.559 -1.628 1.00 94.27 C +HETATM 36 CG HYP A 6 -6.823 19.913 -1.052 1.00 93.70 C +HETATM 37 CD HYP A 6 -8.322 20.055 -1.067 1.00 95.53 C +HETATM 38 OD1 HYP A 6 -6.241 20.900 -1.854 1.00 92.22 O +ATOM 39 N GLY A 7 -7.690 16.265 -3.747 1.00 96.52 N +ATOM 40 CA GLY A 7 -8.094 14.897 -3.926 1.00 96.26 C +ATOM 41 C GLY A 7 -7.724 14.046 -2.723 1.00 96.53 C +ATOM 42 O GLY A 7 -6.928 14.462 -1.876 1.00 96.33 O +ATOM 43 N PRO A 8 -8.276 12.847 -2.646 1.00 96.24 N +ATOM 44 CA PRO A 8 -7.983 11.955 -1.530 1.00 95.87 C +ATOM 45 C PRO A 8 -6.579 11.377 -1.648 1.00 95.83 C +ATOM 46 O PRO A 8 -5.979 11.371 -2.717 1.00 94.89 O +ATOM 47 CB PRO A 8 -9.045 10.878 -1.654 1.00 94.74 C +ATOM 48 CG PRO A 8 -9.291 10.810 -3.121 1.00 93.88 C +ATOM 49 CD PRO A 8 -9.218 12.251 -3.585 1.00 95.61 C +HETATM 50 N HYP A 9 -6.044 10.887 -0.578 1.00 96.57 N +HETATM 51 CA HYP A 9 -4.793 10.176 -0.582 1.00 96.19 C +HETATM 52 C HYP A 9 -4.834 8.959 -1.405 1.00 96.85 C +HETATM 53 O HYP A 9 -5.882 8.343 -1.563 1.00 95.23 O +HETATM 54 CB HYP A 9 -4.579 9.783 0.917 1.00 95.14 C +HETATM 55 CG HYP A 9 -5.355 10.808 1.651 1.00 94.02 C +HETATM 56 CD HYP A 9 -6.520 11.049 0.761 1.00 95.61 C +HETATM 57 OD1 HYP A 9 -4.609 12.015 1.762 1.00 92.09 O +ATOM 58 N GLY A 10 -3.722 8.567 -1.994 1.00 96.24 N +ATOM 59 CA GLY A 10 -3.646 7.373 -2.791 1.00 95.58 C +ATOM 60 C GLY A 10 -3.920 6.127 -1.961 1.00 95.58 C +ATOM 61 O GLY A 10 -3.938 6.167 -0.728 1.00 94.29 O +ATOM 62 N THR A 11 -4.109 5.014 -2.645 1.00 95.72 N +ATOM 63 CA THR A 11 -4.359 3.753 -1.963 1.00 94.77 C +ATOM 64 C THR A 11 -3.083 3.245 -1.304 1.00 94.49 C +ATOM 65 O THR A 11 -1.970 3.599 -1.696 1.00 92.73 O +ATOM 66 CB THR A 11 -4.876 2.690 -2.933 1.00 92.87 C +ATOM 67 OG1 THR A 11 -3.909 2.475 -3.951 1.00 88.77 O +ATOM 68 CG2 THR A 11 -6.181 3.138 -3.567 1.00 86.46 C +ATOM 69 N CYS A 12 -3.254 2.391 -0.308 1.00 95.94 N +ATOM 70 CA CYS A 12 -2.112 1.794 0.361 1.00 95.12 C +ATOM 71 C CYS A 12 -1.354 0.925 -0.639 1.00 95.04 C +ATOM 72 O CYS A 12 -1.961 0.259 -1.477 1.00 93.23 O +ATOM 73 CB CYS A 12 -2.579 0.941 1.544 1.00 93.15 C +ATOM 74 SG CYS A 12 -1.245 0.230 2.497 1.00 84.37 S +ATOM 75 N GLY A 13 -0.032 0.954 -0.554 1.00 95.19 N +ATOM 76 CA GLY A 13 0.767 0.131 -1.439 1.00 95.41 C +ATOM 77 C GLY A 13 0.536 -1.345 -1.196 1.00 96.13 C +ATOM 78 O GLY A 13 -0.030 -1.737 -0.173 1.00 95.68 O +ATOM 79 N PRO A 14 0.984 -2.194 -2.115 1.00 95.22 N +ATOM 80 CA PRO A 14 0.797 -3.631 -1.967 1.00 95.35 C +ATOM 81 C PRO A 14 1.695 -4.190 -0.871 1.00 95.84 C +ATOM 82 O PRO A 14 2.700 -3.595 -0.509 1.00 94.98 O +ATOM 83 CB PRO A 14 1.172 -4.189 -3.338 1.00 93.99 C +ATOM 84 CG PRO A 14 2.176 -3.213 -3.840 1.00 92.62 C +ATOM 85 CD PRO A 14 1.676 -1.867 -3.361 1.00 93.93 C +HETATM 86 N HYP A 15 1.350 -5.357 -0.340 1.00 96.07 N +HETATM 87 CA HYP A 15 2.198 -6.056 0.595 1.00 95.38 C +HETATM 88 C HYP A 15 3.526 -6.399 0.022 1.00 96.97 C +HETATM 89 O HYP A 15 3.638 -6.568 -1.190 1.00 94.51 O +HETATM 90 CB HYP A 15 1.407 -7.311 0.923 1.00 94.95 C +HETATM 91 CG HYP A 15 -0.026 -6.917 0.646 1.00 93.50 C +HETATM 92 CD HYP A 15 0.111 -6.031 -0.518 1.00 94.81 C +HETATM 93 OD1 HYP A 15 -0.589 -6.197 1.717 1.00 92.86 O +ATOM 94 N GLY A 16 4.538 -6.454 0.804 1.00 96.41 N +ATOM 95 CA GLY A 16 5.838 -6.847 0.335 1.00 95.96 C +ATOM 96 C GLY A 16 5.848 -8.312 -0.070 1.00 96.22 C +ATOM 97 O GLY A 16 4.902 -9.054 0.202 1.00 96.01 O +ATOM 98 N PRO A 17 6.926 -8.743 -0.715 1.00 95.60 N +ATOM 99 CA PRO A 17 7.022 -10.135 -1.151 1.00 95.38 C +ATOM 100 C PRO A 17 7.229 -11.073 0.029 1.00 95.33 C +ATOM 101 O PRO A 17 7.638 -10.656 1.104 1.00 94.22 O +ATOM 102 CB PRO A 17 8.228 -10.129 -2.081 1.00 93.92 C +ATOM 103 CG PRO A 17 9.081 -9.042 -1.527 1.00 93.13 C +ATOM 104 CD PRO A 17 8.109 -7.971 -1.093 1.00 94.82 C +HETATM 105 N HYP A 18 6.953 -12.327 -0.152 1.00 96.56 N +HETATM 106 CA HYP A 18 7.249 -13.350 0.814 1.00 95.69 C +HETATM 107 C HYP A 18 8.701 -13.360 1.182 1.00 96.66 C +HETATM 108 O HYP A 18 9.544 -13.036 0.352 1.00 95.22 O +HETATM 109 CB HYP A 18 6.846 -14.633 0.125 1.00 94.98 C +HETATM 110 CG HYP A 18 5.789 -14.208 -0.869 1.00 94.05 C +HETATM 111 CD HYP A 18 6.277 -12.870 -1.295 1.00 95.63 C +HETATM 112 OD1 HYP A 18 4.524 -14.066 -0.264 1.00 92.92 O +ATOM 113 N GLY A 19 8.995 -13.671 2.416 1.00 95.61 N +ATOM 114 CA GLY A 19 10.362 -13.719 2.860 1.00 95.27 C +ATOM 115 C GLY A 19 11.136 -14.804 2.123 1.00 95.63 C +ATOM 116 O GLY A 19 10.552 -15.639 1.423 1.00 95.23 O +ATOM 117 N PRO A 20 12.449 -14.820 2.285 1.00 95.21 N +ATOM 118 CA PRO A 20 13.267 -15.825 1.612 1.00 94.98 C +ATOM 119 C PRO A 20 13.049 -17.203 2.219 1.00 94.93 C +ATOM 120 O PRO A 20 12.573 -17.333 3.339 1.00 93.46 O +ATOM 121 CB PRO A 20 14.689 -15.322 1.842 1.00 93.36 C +ATOM 122 CG PRO A 20 14.589 -14.588 3.130 1.00 92.09 C +ATOM 123 CD PRO A 20 13.251 -13.904 3.088 1.00 94.37 C +HETATM 124 N HYP A 21 13.418 -18.216 1.529 1.00 95.68 N +HETATM 125 CA HYP A 21 13.335 -19.577 1.997 1.00 94.55 C +HETATM 126 C HYP A 21 14.181 -19.786 3.226 1.00 96.39 C +HETATM 127 O HYP A 21 15.228 -19.150 3.376 1.00 94.33 O +HETATM 128 CB HYP A 21 13.908 -20.423 0.863 1.00 94.31 C +HETATM 129 CG HYP A 21 13.694 -19.580 -0.371 1.00 92.85 C +HETATM 130 CD HYP A 21 13.897 -18.188 0.160 1.00 94.40 C +HETATM 131 OD1 HYP A 21 12.363 -19.703 -0.854 1.00 91.13 O +ATOM 132 N GLY A 22 13.725 -20.602 4.126 1.00 93.44 N +ATOM 133 CA GLY A 22 14.491 -20.902 5.302 1.00 93.06 C +ATOM 134 C GLY A 22 15.777 -21.623 4.927 1.00 93.54 C +ATOM 135 O GLY A 22 15.948 -22.074 3.793 1.00 92.46 O +ATOM 136 N PRO A 23 16.704 -21.781 5.881 1.00 92.94 N +ATOM 137 CA PRO A 23 17.964 -22.452 5.594 1.00 93.06 C +ATOM 138 C PRO A 23 17.750 -23.949 5.421 1.00 92.74 C +ATOM 139 O PRO A 23 16.751 -24.505 5.865 1.00 89.70 O +ATOM 140 CB PRO A 23 18.809 -22.140 6.820 1.00 90.09 C +ATOM 141 CG PRO A 23 17.809 -21.999 7.906 1.00 87.54 C +ATOM 142 CD PRO A 23 16.630 -21.328 7.266 1.00 90.22 C +HETATM 143 N HYP A 24 18.687 -24.599 4.844 1.00 92.66 N +HETATM 144 CA HYP A 24 18.594 -26.063 4.709 1.00 90.93 C +HETATM 145 C HYP A 24 18.644 -26.723 6.036 1.00 90.76 C +HETATM 146 O HYP A 24 19.476 -26.309 6.857 1.00 87.53 O +HETATM 147 CB HYP A 24 19.809 -26.447 3.836 1.00 91.10 C +HETATM 148 CG HYP A 24 20.234 -25.188 3.158 1.00 90.55 C +HETATM 149 CD HYP A 24 19.784 -24.073 4.104 1.00 90.97 C +HETATM 150 OD1 HYP A 24 19.514 -25.033 1.946 1.00 87.17 O +HETATM 151 OXT HYP A 24 17.803 -27.610 6.245 1.00 83.19 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_392.txt b/protein_pdb_392.txt new file mode 100644 index 0000000000000000000000000000000000000000..3b363a3ad6fe02a0995e7c434f8caa828cacf72c --- /dev/null +++ b/protein_pdb_392.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 0.558 -11.063 8.117 1.00 84.40 N +ATOM 2 CA GLY A 1 1.557 -10.760 7.108 1.00 86.02 C +ATOM 3 C GLY A 1 1.854 -9.284 7.063 1.00 87.04 C +ATOM 4 O GLY A 1 1.227 -8.503 7.773 1.00 84.09 O +ATOM 5 N PRO A 2 2.793 -8.881 6.231 1.00 82.62 N +ATOM 6 CA PRO A 2 3.160 -7.473 6.134 1.00 84.58 C +ATOM 7 C PRO A 2 2.085 -6.651 5.454 1.00 84.80 C +ATOM 8 O PRO A 2 1.208 -7.176 4.779 1.00 82.25 O +ATOM 9 CB PRO A 2 4.447 -7.502 5.310 1.00 81.29 C +ATOM 10 CG PRO A 2 4.295 -8.712 4.469 1.00 77.30 C +ATOM 11 CD PRO A 2 3.585 -9.719 5.331 1.00 77.37 C +HETATM 12 N HYP A 3 2.167 -5.385 5.660 1.00 85.97 N +HETATM 13 CA HYP A 3 1.254 -4.458 4.969 1.00 86.06 C +HETATM 14 C HYP A 3 1.363 -4.580 3.472 1.00 86.98 C +HETATM 15 O HYP A 3 2.450 -4.910 2.949 1.00 88.84 O +HETATM 16 CB HYP A 3 1.793 -3.064 5.431 1.00 85.07 C +HETATM 17 CG HYP A 3 2.445 -3.329 6.793 1.00 81.45 C +HETATM 18 CD HYP A 3 3.092 -4.727 6.575 1.00 85.87 C +HETATM 19 OD1 HYP A 3 1.428 -3.443 7.761 1.00 83.58 O +ATOM 20 N GLY A 4 0.244 -4.398 2.815 1.00 91.02 N +ATOM 21 CA GLY A 4 0.235 -4.441 1.379 1.00 90.67 C +ATOM 22 C GLY A 4 0.971 -3.250 0.792 1.00 91.14 C +ATOM 23 O GLY A 4 1.300 -2.294 1.490 1.00 90.91 O +ATOM 24 N PRO A 5 1.244 -3.321 -0.494 1.00 89.44 N +ATOM 25 CA PRO A 5 1.951 -2.223 -1.141 1.00 89.39 C +ATOM 26 C PRO A 5 1.067 -0.997 -1.286 1.00 89.00 C +ATOM 27 O PRO A 5 -0.152 -1.081 -1.223 1.00 87.66 O +ATOM 28 CB PRO A 5 2.322 -2.806 -2.498 1.00 87.70 C +ATOM 29 CG PRO A 5 1.236 -3.785 -2.773 1.00 86.09 C +ATOM 30 CD PRO A 5 0.911 -4.392 -1.431 1.00 87.93 C +HETATM 31 N HYP A 6 1.729 0.145 -1.466 1.00 90.48 N +HETATM 32 CA HYP A 6 0.976 1.341 -1.747 1.00 90.66 C +HETATM 33 C HYP A 6 0.161 1.213 -3.002 1.00 92.15 C +HETATM 34 O HYP A 6 0.522 0.462 -3.934 1.00 90.86 O +HETATM 35 CB HYP A 6 2.147 2.371 -1.946 1.00 87.15 C +HETATM 36 CG HYP A 6 3.286 1.835 -1.091 1.00 85.31 C +HETATM 37 CD HYP A 6 3.162 0.335 -1.331 1.00 89.38 C +HETATM 38 OD1 HYP A 6 3.030 2.122 0.264 1.00 85.24 O +ATOM 39 N GLY A 7 -0.968 1.858 -3.017 1.00 92.12 N +ATOM 40 CA GLY A 7 -1.811 1.853 -4.184 1.00 91.26 C +ATOM 41 C GLY A 7 -1.149 2.568 -5.341 1.00 91.93 C +ATOM 42 O GLY A 7 -0.119 3.219 -5.191 1.00 91.58 O +ATOM 43 N PRO A 8 -1.749 2.446 -6.500 1.00 90.24 N +ATOM 44 CA PRO A 8 -1.194 3.107 -7.667 1.00 90.17 C +ATOM 45 C PRO A 8 -1.362 4.615 -7.580 1.00 90.43 C +ATOM 46 O PRO A 8 -2.194 5.126 -6.837 1.00 88.61 O +ATOM 47 CB PRO A 8 -1.990 2.521 -8.822 1.00 87.90 C +ATOM 48 CG PRO A 8 -3.299 2.179 -8.210 1.00 86.67 C +ATOM 49 CD PRO A 8 -2.969 1.715 -6.816 1.00 88.30 C +HETATM 50 N HYP A 9 -0.546 5.338 -8.353 1.00 89.17 N +HETATM 51 CA HYP A 9 -0.706 6.738 -8.423 1.00 89.79 C +HETATM 52 C HYP A 9 -2.044 7.131 -8.953 1.00 90.05 C +HETATM 53 O HYP A 9 -2.693 6.374 -9.680 1.00 88.28 O +HETATM 54 CB HYP A 9 0.405 7.171 -9.412 1.00 83.42 C +HETATM 55 CG HYP A 9 1.432 6.106 -9.313 1.00 81.70 C +HETATM 56 CD HYP A 9 0.646 4.854 -9.096 1.00 87.17 C +HETATM 57 OD1 HYP A 9 2.234 6.331 -8.180 1.00 81.43 O +ATOM 58 N GLY A 10 -2.526 8.253 -8.588 1.00 89.47 N +ATOM 59 CA GLY A 10 -3.728 8.800 -9.180 1.00 87.18 C +ATOM 60 C GLY A 10 -3.438 9.118 -10.631 1.00 87.40 C +ATOM 61 O GLY A 10 -2.544 8.535 -11.239 1.00 85.62 O +ATOM 62 N VAL A 11 -4.160 10.060 -11.186 1.00 87.02 N +ATOM 63 CA VAL A 11 -3.899 10.438 -12.568 1.00 89.57 C +ATOM 64 C VAL A 11 -2.401 10.639 -12.768 1.00 89.59 C +ATOM 65 O VAL A 11 -1.790 10.070 -13.682 1.00 88.18 O +ATOM 66 CB VAL A 11 -4.679 11.706 -12.955 1.00 88.45 C +ATOM 67 CG1 VAL A 11 -4.309 12.159 -14.347 1.00 82.53 C +ATOM 68 CG2 VAL A 11 -6.173 11.445 -12.861 1.00 82.90 C +ATOM 69 N SER A 12 -1.810 11.419 -11.884 1.00 89.54 N +ATOM 70 CA SER A 12 -0.362 11.566 -11.789 1.00 90.12 C +ATOM 71 C SER A 12 -0.031 11.870 -10.338 1.00 91.25 C +ATOM 72 O SER A 12 1.005 12.456 -10.036 1.00 87.07 O +ATOM 73 CB SER A 12 0.137 12.680 -12.709 1.00 86.43 C +ATOM 74 OG SER A 12 -0.418 13.915 -12.330 1.00 77.78 O +ATOM 75 N GLY A 13 -0.923 11.462 -9.462 1.00 93.73 N +ATOM 76 CA GLY A 13 -0.827 11.797 -8.059 1.00 93.11 C +ATOM 77 C GLY A 13 -0.036 10.793 -7.257 1.00 93.65 C +ATOM 78 O GLY A 13 0.621 9.903 -7.809 1.00 93.50 O +ATOM 79 N PRO A 14 -0.088 10.933 -5.947 1.00 92.52 N +ATOM 80 CA PRO A 14 0.683 10.068 -5.061 1.00 92.25 C +ATOM 81 C PRO A 14 0.122 8.661 -4.996 1.00 92.64 C +ATOM 82 O PRO A 14 -1.035 8.422 -5.299 1.00 91.17 O +ATOM 83 CB PRO A 14 0.573 10.776 -3.710 1.00 91.11 C +ATOM 84 CG PRO A 14 -0.742 11.459 -3.771 1.00 89.89 C +ATOM 85 CD PRO A 14 -0.875 11.918 -5.197 1.00 90.63 C +HETATM 86 N HYP A 15 0.979 7.779 -4.585 1.00 92.47 N +HETATM 87 CA HYP A 15 0.534 6.431 -4.336 1.00 91.78 C +HETATM 88 C HYP A 15 -0.488 6.369 -3.238 1.00 93.47 C +HETATM 89 O HYP A 15 -0.505 7.241 -2.338 1.00 92.43 O +HETATM 90 CB HYP A 15 1.867 5.768 -3.854 1.00 88.14 C +HETATM 91 CG HYP A 15 2.958 6.572 -4.530 1.00 86.51 C +HETATM 92 CD HYP A 15 2.413 7.985 -4.476 1.00 90.91 C +HETATM 93 OD1 HYP A 15 3.096 6.153 -5.862 1.00 87.78 O +ATOM 94 N GLY A 16 -1.352 5.409 -3.316 1.00 94.01 N +ATOM 95 CA GLY A 16 -2.305 5.192 -2.266 1.00 93.66 C +ATOM 96 C GLY A 16 -1.624 4.683 -1.005 1.00 94.12 C +ATOM 97 O GLY A 16 -0.424 4.395 -1.001 1.00 93.57 O +ATOM 98 N PRO A 17 -2.395 4.584 0.068 1.00 91.30 N +ATOM 99 CA PRO A 17 -1.826 4.111 1.324 1.00 90.68 C +ATOM 100 C PRO A 17 -1.492 2.632 1.270 1.00 91.13 C +ATOM 101 O PRO A 17 -1.992 1.894 0.433 1.00 89.52 O +ATOM 102 CB PRO A 17 -2.930 4.407 2.332 1.00 89.55 C +ATOM 103 CG PRO A 17 -4.172 4.360 1.530 1.00 88.65 C +ATOM 104 CD PRO A 17 -3.805 4.914 0.188 1.00 89.52 C +HETATM 105 N HYP A 18 -0.624 2.211 2.202 1.00 87.46 N +HETATM 106 CA HYP A 18 -0.331 0.833 2.300 1.00 88.69 C +HETATM 107 C HYP A 18 -1.551 0.001 2.620 1.00 89.96 C +HETATM 108 O HYP A 18 -2.477 0.482 3.296 1.00 87.78 O +HETATM 109 CB HYP A 18 0.647 0.773 3.521 1.00 85.88 C +HETATM 110 CG HYP A 18 1.285 2.146 3.549 1.00 84.84 C +HETATM 111 CD HYP A 18 0.124 3.036 3.135 1.00 89.09 C +HETATM 112 OD1 HYP A 18 2.302 2.193 2.550 1.00 85.90 O +ATOM 113 N GLY A 19 -1.581 -1.175 2.083 1.00 89.21 N +ATOM 114 CA GLY A 19 -2.665 -2.077 2.364 1.00 88.77 C +ATOM 115 C GLY A 19 -2.640 -2.540 3.807 1.00 89.03 C +ATOM 116 O GLY A 19 -1.682 -2.294 4.539 1.00 89.25 O +ATOM 117 N PRO A 20 -3.700 -3.218 4.215 1.00 82.11 N +ATOM 118 CA PRO A 20 -3.758 -3.718 5.582 1.00 82.48 C +ATOM 119 C PRO A 20 -2.802 -4.880 5.783 1.00 81.73 C +ATOM 120 O PRO A 20 -2.314 -5.477 4.829 1.00 82.32 O +ATOM 121 CB PRO A 20 -5.206 -4.158 5.718 1.00 80.85 C +ATOM 122 CG PRO A 20 -5.598 -4.534 4.329 1.00 78.11 C +ATOM 123 CD PRO A 20 -4.879 -3.562 3.443 1.00 78.28 C +HETATM 124 N HYP A 21 -2.526 -5.152 7.052 1.00 86.28 N +HETATM 125 CA HYP A 21 -1.740 -6.325 7.351 1.00 86.25 C +HETATM 126 C HYP A 21 -2.328 -7.598 6.781 1.00 87.49 C +HETATM 127 O HYP A 21 -3.532 -7.685 6.653 1.00 89.13 O +HETATM 128 CB HYP A 21 -1.709 -6.340 8.890 1.00 84.65 C +HETATM 129 CG HYP A 21 -1.859 -4.865 9.283 1.00 79.17 C +HETATM 130 CD HYP A 21 -2.841 -4.354 8.242 1.00 86.62 C +HETATM 131 OD1 HYP A 21 -0.621 -4.186 9.101 1.00 81.18 O +ATOM 132 N GLY A 22 -1.464 -8.480 6.345 1.00 84.34 N +ATOM 133 CA GLY A 22 -1.906 -9.719 5.776 1.00 81.46 C +ATOM 134 C GLY A 22 -2.628 -10.585 6.790 1.00 80.54 C +ATOM 135 O GLY A 22 -2.744 -10.230 7.964 1.00 80.70 O +ATOM 136 N PRO A 23 -3.113 -11.752 6.350 1.00 88.74 N +ATOM 137 CA PRO A 23 -3.859 -12.630 7.235 1.00 88.46 C +ATOM 138 C PRO A 23 -2.989 -13.211 8.332 1.00 87.14 C +ATOM 139 O PRO A 23 -1.768 -13.300 8.207 1.00 83.57 O +ATOM 140 CB PRO A 23 -4.381 -13.710 6.303 1.00 85.22 C +ATOM 141 CG PRO A 23 -3.411 -13.720 5.182 1.00 82.41 C +ATOM 142 CD PRO A 23 -2.978 -12.302 5.018 1.00 83.94 C +HETATM 143 N HYP A 24 -3.524 -13.631 9.348 1.00 89.76 N +HETATM 144 CA HYP A 24 -2.811 -14.159 10.467 1.00 85.13 C +HETATM 145 C HYP A 24 -1.875 -15.291 10.122 1.00 83.86 C +HETATM 146 O HYP A 24 -2.339 -16.333 9.670 1.00 79.94 O +HETATM 147 CB HYP A 24 -3.942 -14.733 11.383 1.00 82.77 C +HETATM 148 CG HYP A 24 -5.241 -14.214 10.850 1.00 82.37 C +HETATM 149 CD HYP A 24 -4.948 -13.909 9.407 1.00 87.54 C +HETATM 150 OD1 HYP A 24 -5.577 -12.984 11.485 1.00 82.82 O +HETATM 151 OXT HYP A 24 -0.653 -15.080 10.357 1.00 79.11 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_393.txt b/protein_pdb_393.txt new file mode 100644 index 0000000000000000000000000000000000000000..2a1772e43768b9807442d916bde4b43ba916e355 --- /dev/null +++ b/protein_pdb_393.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -0.849 -15.045 -6.779 1.00 91.24 N +ATOM 2 CA GLY A 1 -1.300 -13.832 -7.399 1.00 91.72 C +ATOM 3 C GLY A 1 -0.241 -12.756 -7.434 1.00 92.73 C +ATOM 4 O GLY A 1 0.811 -12.897 -6.820 1.00 91.47 O +ATOM 5 N PRO A 2 -0.525 -11.745 -8.076 1.00 91.31 N +ATOM 6 CA PRO A 2 0.418 -10.646 -8.200 1.00 92.06 C +ATOM 7 C PRO A 2 0.466 -9.782 -6.953 1.00 92.12 C +ATOM 8 O PRO A 2 -0.394 -9.865 -6.087 1.00 89.94 O +ATOM 9 CB PRO A 2 -0.128 -9.867 -9.397 1.00 89.53 C +ATOM 10 CG PRO A 2 -1.595 -10.102 -9.325 1.00 86.40 C +ATOM 11 CD PRO A 2 -1.750 -11.512 -8.833 1.00 88.69 C +HETATM 12 N HYP A 3 1.495 -8.948 -6.884 1.00 92.45 N +HETATM 13 CA HYP A 3 1.603 -8.026 -5.770 1.00 90.46 C +HETATM 14 C HYP A 3 0.422 -7.088 -5.696 1.00 90.99 C +HETATM 15 O HYP A 3 -0.170 -6.757 -6.747 1.00 91.98 O +HETATM 16 CB HYP A 3 2.892 -7.229 -6.094 1.00 89.03 C +HETATM 17 CG HYP A 3 3.706 -8.179 -6.930 1.00 87.21 C +HETATM 18 CD HYP A 3 2.614 -8.888 -7.774 1.00 88.57 C +HETATM 19 OD1 HYP A 3 4.336 -9.094 -6.082 1.00 87.62 O +ATOM 20 N GLY A 4 0.046 -6.735 -4.511 1.00 92.72 N +ATOM 21 CA GLY A 4 -1.033 -5.814 -4.307 1.00 92.69 C +ATOM 22 C GLY A 4 -0.669 -4.412 -4.759 1.00 93.41 C +ATOM 23 O GLY A 4 0.484 -4.129 -5.092 1.00 93.25 O +ATOM 24 N PRO A 5 -1.641 -3.518 -4.771 1.00 92.00 N +ATOM 25 CA PRO A 5 -1.397 -2.149 -5.202 1.00 91.99 C +ATOM 26 C PRO A 5 -0.584 -1.376 -4.175 1.00 91.60 C +ATOM 27 O PRO A 5 -0.499 -1.751 -3.010 1.00 90.19 O +ATOM 28 CB PRO A 5 -2.799 -1.574 -5.345 1.00 90.78 C +ATOM 29 CG PRO A 5 -3.608 -2.348 -4.366 1.00 88.87 C +ATOM 30 CD PRO A 5 -3.030 -3.730 -4.386 1.00 90.46 C +HETATM 31 N HYP A 6 0.027 -0.270 -4.652 1.00 92.45 N +HETATM 32 CA HYP A 6 0.715 0.608 -3.734 1.00 94.18 C +HETATM 33 C HYP A 6 -0.192 1.155 -2.672 1.00 93.08 C +HETATM 34 O HYP A 6 -1.408 1.320 -2.901 1.00 92.48 O +HETATM 35 CB HYP A 6 1.187 1.758 -4.684 1.00 89.12 C +HETATM 36 CG HYP A 6 1.332 1.085 -6.015 1.00 89.08 C +HETATM 37 CD HYP A 6 0.156 0.125 -6.032 1.00 91.43 C +HETATM 38 OD1 HYP A 6 2.539 0.373 -6.059 1.00 88.28 O +ATOM 39 N GLY A 7 0.340 1.354 -1.522 1.00 92.94 N +ATOM 40 CA GLY A 7 -0.412 1.932 -0.445 1.00 92.87 C +ATOM 41 C GLY A 7 -0.837 3.349 -0.762 1.00 93.51 C +ATOM 42 O GLY A 7 -0.378 3.954 -1.725 1.00 93.41 O +ATOM 43 N PRO A 8 -1.720 3.880 0.040 1.00 91.61 N +ATOM 44 CA PRO A 8 -2.201 5.233 -0.194 1.00 91.59 C +ATOM 45 C PRO A 8 -1.150 6.274 0.152 1.00 91.41 C +ATOM 46 O PRO A 8 -0.230 6.023 0.923 1.00 89.34 O +ATOM 47 CB PRO A 8 -3.410 5.342 0.726 1.00 89.82 C +ATOM 48 CG PRO A 8 -3.088 4.412 1.836 1.00 88.71 C +ATOM 49 CD PRO A 8 -2.335 3.270 1.201 1.00 90.70 C +HETATM 50 N HYP A 9 -1.311 7.488 -0.423 1.00 90.88 N +HETATM 51 CA HYP A 9 -0.438 8.563 -0.093 1.00 90.77 C +HETATM 52 C HYP A 9 -0.594 8.959 1.350 1.00 90.69 C +HETATM 53 O HYP A 9 -1.656 8.845 1.942 1.00 89.81 O +HETATM 54 CB HYP A 9 -0.982 9.734 -0.975 1.00 84.77 C +HETATM 55 CG HYP A 9 -1.726 9.105 -2.061 1.00 86.01 C +HETATM 56 CD HYP A 9 -2.275 7.841 -1.477 1.00 88.89 C +HETATM 57 OD1 HYP A 9 -0.833 8.766 -3.095 1.00 85.31 O +ATOM 58 N GLY A 10 0.453 9.366 1.959 1.00 90.12 N +ATOM 59 CA GLY A 10 0.372 9.915 3.289 1.00 88.56 C +ATOM 60 C GLY A 10 -0.280 11.285 3.246 1.00 88.49 C +ATOM 61 O GLY A 10 -0.688 11.774 2.186 1.00 85.96 O +ATOM 62 N CYS A 11 -0.372 11.916 4.404 1.00 87.53 N +ATOM 63 CA CYS A 11 -0.868 13.285 4.448 1.00 89.93 C +ATOM 64 C CYS A 11 -0.134 14.107 3.401 1.00 90.24 C +ATOM 65 O CYS A 11 -0.748 14.790 2.575 1.00 87.43 O +ATOM 66 CB CYS A 11 -0.650 13.868 5.843 1.00 86.79 C +ATOM 67 SG CYS A 11 -1.143 15.584 5.982 1.00 81.32 S +ATOM 68 N CYS A 12 1.179 14.034 3.442 1.00 87.23 N +ATOM 69 CA CYS A 12 2.090 14.549 2.424 1.00 89.92 C +ATOM 70 C CYS A 12 3.168 13.495 2.300 1.00 90.51 C +ATOM 71 O CYS A 12 4.186 13.552 2.978 1.00 87.05 O +ATOM 72 CB CYS A 12 2.697 15.885 2.849 1.00 86.75 C +ATOM 73 SG CYS A 12 1.480 17.194 3.060 1.00 82.27 S +ATOM 74 N GLY A 13 2.941 12.533 1.455 1.00 91.96 N +ATOM 75 CA GLY A 13 3.888 11.452 1.361 1.00 91.33 C +ATOM 76 C GLY A 13 3.610 10.562 0.179 1.00 92.33 C +ATOM 77 O GLY A 13 2.523 10.598 -0.401 1.00 92.22 O +ATOM 78 N PRO A 14 4.590 9.758 -0.182 1.00 92.83 N +ATOM 79 CA PRO A 14 4.453 8.872 -1.322 1.00 92.67 C +ATOM 80 C PRO A 14 3.550 7.696 -1.016 1.00 92.90 C +ATOM 81 O PRO A 14 3.263 7.391 0.134 1.00 91.76 O +ATOM 82 CB PRO A 14 5.885 8.408 -1.583 1.00 91.36 C +ATOM 83 CG PRO A 14 6.509 8.427 -0.230 1.00 90.05 C +ATOM 84 CD PRO A 14 5.896 9.617 0.462 1.00 90.76 C +HETATM 85 N HYP A 15 3.149 7.081 -2.086 1.00 93.39 N +HETATM 86 CA HYP A 15 2.398 5.847 -1.912 1.00 94.25 C +HETATM 87 C HYP A 15 3.215 4.819 -1.209 1.00 94.49 C +HETATM 88 O HYP A 15 4.460 4.813 -1.282 1.00 92.76 O +HETATM 89 CB HYP A 15 2.161 5.454 -3.391 1.00 90.48 C +HETATM 90 CG HYP A 15 2.187 6.754 -4.158 1.00 89.66 C +HETATM 91 CD HYP A 15 3.270 7.525 -3.471 1.00 91.92 C +HETATM 92 OD1 HYP A 15 0.955 7.401 -4.049 1.00 88.55 O +ATOM 93 N GLY A 16 2.559 3.972 -0.490 1.00 94.63 N +ATOM 94 CA GLY A 16 3.229 2.869 0.144 1.00 94.48 C +ATOM 95 C GLY A 16 3.699 1.857 -0.874 1.00 94.90 C +ATOM 96 O GLY A 16 3.393 1.955 -2.064 1.00 94.55 O +ATOM 97 N PRO A 17 4.455 0.880 -0.414 1.00 90.94 N +ATOM 98 CA PRO A 17 4.958 -0.144 -1.311 1.00 90.77 C +ATOM 99 C PRO A 17 3.855 -1.079 -1.778 1.00 91.22 C +ATOM 100 O PRO A 17 2.782 -1.134 -1.185 1.00 89.69 O +ATOM 101 CB PRO A 17 5.997 -0.877 -0.463 1.00 89.55 C +ATOM 102 CG PRO A 17 5.500 -0.697 0.925 1.00 87.57 C +ATOM 103 CD PRO A 17 4.883 0.668 0.962 1.00 88.57 C +HETATM 104 N HYP A 18 4.154 -1.795 -2.872 1.00 89.65 N +HETATM 105 CA HYP A 18 3.228 -2.793 -3.298 1.00 90.19 C +HETATM 106 C HYP A 18 2.966 -3.824 -2.254 1.00 91.08 C +HETATM 107 O HYP A 18 3.846 -4.123 -1.434 1.00 91.62 O +HETATM 108 CB HYP A 18 3.985 -3.430 -4.501 1.00 87.59 C +HETATM 109 CG HYP A 18 4.833 -2.321 -5.019 1.00 86.47 C +HETATM 110 CD HYP A 18 5.274 -1.629 -3.744 1.00 90.08 C +HETATM 111 OD1 HYP A 18 4.049 -1.447 -5.796 1.00 86.66 O +ATOM 112 N GLY A 19 1.757 -4.277 -2.228 1.00 90.92 N +ATOM 113 CA GLY A 19 1.387 -5.311 -1.303 1.00 91.25 C +ATOM 114 C GLY A 19 2.092 -6.613 -1.616 1.00 92.02 C +ATOM 115 O GLY A 19 2.753 -6.751 -2.642 1.00 92.29 O +ATOM 116 N PRO A 20 1.945 -7.573 -0.727 1.00 86.02 N +ATOM 117 CA PRO A 20 2.583 -8.864 -0.934 1.00 86.96 C +ATOM 118 C PRO A 20 1.906 -9.644 -2.050 1.00 86.81 C +ATOM 119 O PRO A 20 0.784 -9.336 -2.440 1.00 85.49 O +ATOM 120 CB PRO A 20 2.410 -9.559 0.414 1.00 85.51 C +ATOM 121 CG PRO A 20 1.167 -8.961 0.952 1.00 82.82 C +ATOM 122 CD PRO A 20 1.170 -7.530 0.502 1.00 84.24 C +HETATM 123 N HYP A 21 2.637 -10.652 -2.544 1.00 89.95 N +HETATM 124 CA HYP A 21 2.037 -11.502 -3.528 1.00 90.06 C +HETATM 125 C HYP A 21 0.746 -12.126 -3.051 1.00 90.29 C +HETATM 126 O HYP A 21 0.635 -12.439 -1.875 1.00 92.23 O +HETATM 127 CB HYP A 21 3.083 -12.576 -3.814 1.00 87.54 C +HETATM 128 CG HYP A 21 4.378 -11.937 -3.460 1.00 84.65 C +HETATM 129 CD HYP A 21 4.030 -11.038 -2.281 1.00 89.24 C +HETATM 130 OD1 HYP A 21 4.821 -11.129 -4.546 1.00 87.21 O +ATOM 131 N GLY A 22 -0.219 -12.157 -3.916 1.00 90.42 N +ATOM 132 CA GLY A 22 -1.473 -12.771 -3.592 1.00 89.19 C +ATOM 133 C GLY A 22 -1.323 -14.276 -3.485 1.00 89.42 C +ATOM 134 O GLY A 22 -0.271 -14.834 -3.780 1.00 89.21 O +ATOM 135 N PRO A 23 -2.389 -14.948 -3.081 1.00 92.10 N +ATOM 136 CA PRO A 23 -2.333 -16.397 -3.001 1.00 92.16 C +ATOM 137 C PRO A 23 -2.192 -16.993 -4.387 1.00 90.94 C +ATOM 138 O PRO A 23 -2.923 -16.629 -5.305 1.00 87.71 O +ATOM 139 CB PRO A 23 -3.652 -16.780 -2.336 1.00 89.69 C +ATOM 140 CG PRO A 23 -4.535 -15.614 -2.512 1.00 87.22 C +ATOM 141 CD PRO A 23 -3.673 -14.402 -2.689 1.00 90.40 C +HETATM 142 N HYP A 24 -1.270 -17.723 -4.621 1.00 93.98 N +HETATM 143 CA HYP A 24 -0.879 -18.107 -6.037 1.00 91.13 C +HETATM 144 C HYP A 24 -0.643 -17.055 -6.932 1.00 93.85 C +HETATM 145 O HYP A 24 -1.180 -16.996 -8.113 1.00 91.16 O +HETATM 146 CB HYP A 24 -0.104 -19.301 -5.798 1.00 90.60 C +HETATM 147 CG HYP A 24 -0.744 -19.922 -4.525 1.00 90.10 C +HETATM 148 CD HYP A 24 -1.211 -18.731 -3.708 1.00 93.19 C +HETATM 149 OD1 HYP A 24 0.181 -20.656 -3.768 1.00 89.64 O +HETATM 150 OXT HYP A 24 0.575 -16.435 -6.964 1.00 87.49 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_394.txt b/protein_pdb_394.txt new file mode 100644 index 0000000000000000000000000000000000000000..c9c2414e4555c6c7f3b65d8768af8f4959b1b057 --- /dev/null +++ b/protein_pdb_394.txt @@ -0,0 +1,181 @@ +ATOM 1 N GLY A 1 11.282 21.282 -38.860 1.00 91.61 N +ATOM 2 CA GLY A 1 9.877 20.885 -38.846 1.00 92.83 C +ATOM 3 C GLY A 1 9.258 21.057 -37.473 1.00 93.42 C +ATOM 4 O GLY A 1 9.981 21.246 -36.495 1.00 91.61 O +ATOM 5 N PRO A 2 7.937 20.989 -37.370 1.00 96.27 N +ATOM 6 CA PRO A 2 7.278 21.136 -36.072 1.00 96.72 C +ATOM 7 C PRO A 2 7.581 19.958 -35.144 1.00 97.18 C +ATOM 8 O PRO A 2 7.887 18.853 -35.598 1.00 95.98 O +ATOM 9 CB PRO A 2 5.790 21.213 -36.434 1.00 94.51 C +ATOM 10 CG PRO A 2 5.698 20.419 -37.684 1.00 91.38 C +ATOM 11 CD PRO A 2 6.963 20.759 -38.443 1.00 93.40 C +ATOM 12 N ALA A 3 7.465 20.205 -33.848 1.00 96.38 N +ATOM 13 CA ALA A 3 7.701 19.153 -32.864 1.00 96.61 C +ATOM 14 C ALA A 3 6.619 18.084 -32.967 1.00 96.86 C +ATOM 15 O ALA A 3 5.463 18.370 -33.301 1.00 94.76 O +ATOM 16 CB ALA A 3 7.722 19.744 -31.454 1.00 94.85 C +ATOM 17 N GLY A 4 6.993 16.848 -32.687 1.00 97.46 N +ATOM 18 CA GLY A 4 6.039 15.754 -32.742 1.00 97.29 C +ATOM 19 C GLY A 4 5.050 15.808 -31.575 1.00 97.72 C +ATOM 20 O GLY A 4 5.237 16.570 -30.628 1.00 97.84 O +ATOM 21 N PRO A 5 4.010 14.973 -31.617 1.00 97.75 N +ATOM 22 CA PRO A 5 3.012 14.952 -30.545 1.00 97.70 C +ATOM 23 C PRO A 5 3.576 14.342 -29.266 1.00 98.07 C +ATOM 24 O PRO A 5 4.561 13.594 -29.293 1.00 97.73 O +ATOM 25 CB PRO A 5 1.877 14.102 -31.128 1.00 96.58 C +ATOM 26 CG PRO A 5 2.588 13.161 -32.039 1.00 94.85 C +ATOM 27 CD PRO A 5 3.676 14.013 -32.675 1.00 96.86 C +ATOM 28 N ALA A 6 2.926 14.656 -28.154 1.00 97.48 N +ATOM 29 CA ALA A 6 3.341 14.105 -26.869 1.00 97.44 C +ATOM 30 C ALA A 6 3.079 12.600 -26.842 1.00 97.78 C +ATOM 31 O ALA A 6 2.164 12.098 -27.504 1.00 96.64 O +ATOM 32 CB ALA A 6 2.588 14.796 -25.737 1.00 96.02 C +ATOM 33 N GLY A 7 3.895 11.884 -26.085 1.00 97.98 N +ATOM 34 CA GLY A 7 3.728 10.443 -25.984 1.00 97.85 C +ATOM 35 C GLY A 7 2.490 10.068 -25.186 1.00 98.14 C +ATOM 36 O GLY A 7 1.849 10.920 -24.567 1.00 98.20 O +ATOM 37 N PRO A 8 2.149 8.775 -25.176 1.00 98.29 N +ATOM 38 CA PRO A 8 0.966 8.327 -24.442 1.00 98.20 C +ATOM 39 C PRO A 8 1.166 8.403 -22.932 1.00 98.41 C +ATOM 40 O PRO A 8 2.293 8.448 -22.437 1.00 98.08 O +ATOM 41 CB PRO A 8 0.785 6.876 -24.908 1.00 97.48 C +ATOM 42 CG PRO A 8 2.181 6.444 -25.208 1.00 95.76 C +ATOM 43 CD PRO A 8 2.822 7.663 -25.839 1.00 97.58 C +ATOM 44 N VAL A 9 0.038 8.410 -22.204 1.00 98.12 N +ATOM 45 CA VAL A 9 0.081 8.436 -20.745 1.00 97.91 C +ATOM 46 C VAL A 9 0.658 7.110 -20.256 1.00 98.02 C +ATOM 47 O VAL A 9 0.336 6.046 -20.790 1.00 97.60 O +ATOM 48 CB VAL A 9 -1.329 8.663 -20.157 1.00 97.15 C +ATOM 49 CG1 VAL A 9 -1.285 8.635 -18.643 1.00 91.85 C +ATOM 50 CG2 VAL A 9 -1.882 9.999 -20.643 1.00 91.99 C +ATOM 51 N GLY A 10 1.513 7.170 -19.238 1.00 98.08 N +ATOM 52 CA GLY A 10 2.120 5.973 -18.702 1.00 97.92 C +ATOM 53 C GLY A 10 1.118 5.096 -17.963 1.00 98.23 C +ATOM 54 O GLY A 10 -0.008 5.510 -17.681 1.00 98.18 O +ATOM 55 N PRO A 11 1.525 3.868 -17.611 1.00 98.49 N +ATOM 56 CA PRO A 11 0.635 2.950 -16.900 1.00 98.31 C +ATOM 57 C PRO A 11 0.370 3.418 -15.475 1.00 98.48 C +ATOM 58 O PRO A 11 1.139 4.186 -14.898 1.00 98.07 O +ATOM 59 CB PRO A 11 1.390 1.621 -16.932 1.00 97.67 C +ATOM 60 CG PRO A 11 2.826 2.046 -16.953 1.00 96.49 C +ATOM 61 CD PRO A 11 2.835 3.262 -17.855 1.00 97.82 C +ATOM 62 N ALA A 12 -0.730 2.924 -14.900 1.00 98.09 N +ATOM 63 CA ALA A 12 -1.072 3.263 -13.533 1.00 97.92 C +ATOM 64 C ALA A 12 -0.041 2.684 -12.571 1.00 98.05 C +ATOM 65 O ALA A 12 0.580 1.656 -12.848 1.00 96.72 O +ATOM 66 CB ALA A 12 -2.469 2.731 -13.183 1.00 96.79 C +ATOM 67 N GLY A 13 0.153 3.363 -11.442 1.00 97.85 N +ATOM 68 CA GLY A 13 1.106 2.892 -10.450 1.00 97.73 C +ATOM 69 C GLY A 13 0.657 1.600 -9.792 1.00 97.97 C +ATOM 70 O GLY A 13 -0.529 1.255 -9.805 1.00 97.74 O +ATOM 71 N ALA A 14 1.608 0.885 -9.217 1.00 98.20 N +ATOM 72 CA ALA A 14 1.318 -0.369 -8.542 1.00 98.23 C +ATOM 73 C ALA A 14 0.542 -0.118 -7.251 1.00 98.38 C +ATOM 74 O ALA A 14 0.651 0.943 -6.633 1.00 97.48 O +ATOM 75 CB ALA A 14 2.613 -1.117 -8.233 1.00 97.50 C +ATOM 76 N ARG A 15 -0.231 -1.111 -6.826 1.00 98.06 N +ATOM 77 CA ARG A 15 -0.982 -1.005 -5.579 1.00 97.98 C +ATOM 78 C ARG A 15 -0.005 -0.936 -4.407 1.00 97.92 C +ATOM 79 O ARG A 15 1.035 -1.598 -4.417 1.00 96.89 O +ATOM 80 CB ARG A 15 -1.916 -2.220 -5.424 1.00 96.65 C +ATOM 81 CG ARG A 15 -2.764 -2.177 -4.167 1.00 92.83 C +ATOM 82 CD ARG A 15 -3.641 -3.400 -4.058 1.00 89.29 C +ATOM 83 NE ARG A 15 -4.465 -3.379 -2.849 1.00 83.72 N +ATOM 84 CZ ARG A 15 -5.302 -4.337 -2.490 1.00 80.28 C +ATOM 85 NH1 ARG A 15 -5.433 -5.417 -3.241 1.00 77.08 N +ATOM 86 NH2 ARG A 15 -5.995 -4.221 -1.385 1.00 75.39 N +ATOM 87 N GLY A 16 -0.349 -0.134 -3.422 1.00 97.91 N +ATOM 88 CA GLY A 16 0.504 0.008 -2.264 1.00 97.74 C +ATOM 89 C GLY A 16 0.602 -1.279 -1.453 1.00 97.84 C +ATOM 90 O GLY A 16 -0.242 -2.171 -1.589 1.00 97.60 O +ATOM 91 N PRO A 17 1.625 -1.399 -0.596 1.00 98.06 N +ATOM 92 CA PRO A 17 1.799 -2.600 0.216 1.00 97.93 C +ATOM 93 C PRO A 17 0.759 -2.691 1.322 1.00 98.16 C +ATOM 94 O PRO A 17 0.132 -1.702 1.703 1.00 97.72 O +ATOM 95 CB PRO A 17 3.215 -2.441 0.781 1.00 96.88 C +ATOM 96 CG PRO A 17 3.371 -0.960 0.894 1.00 95.41 C +ATOM 97 CD PRO A 17 2.696 -0.422 -0.350 1.00 97.07 C +ATOM 98 N ALA A 18 0.591 -3.900 1.840 1.00 97.66 N +ATOM 99 CA ALA A 18 -0.333 -4.118 2.945 1.00 97.61 C +ATOM 100 C ALA A 18 0.181 -3.391 4.183 1.00 97.98 C +ATOM 101 O ALA A 18 1.388 -3.216 4.360 1.00 96.80 O +ATOM 102 CB ALA A 18 -0.485 -5.606 3.234 1.00 96.18 C +ATOM 103 N GLY A 19 -0.746 -2.975 5.047 1.00 98.18 N +ATOM 104 CA GLY A 19 -0.363 -2.280 6.259 1.00 98.08 C +ATOM 105 C GLY A 19 0.343 -3.198 7.241 1.00 98.20 C +ATOM 106 O GLY A 19 0.322 -4.420 7.091 1.00 98.09 O +ATOM 107 N PRO A 20 0.974 -2.618 8.269 1.00 97.82 N +ATOM 108 CA PRO A 20 1.702 -3.404 9.263 1.00 97.78 C +ATOM 109 C PRO A 20 0.759 -4.175 10.174 1.00 98.02 C +ATOM 110 O PRO A 20 -0.416 -3.845 10.290 1.00 97.70 O +ATOM 111 CB PRO A 20 2.495 -2.354 10.034 1.00 96.79 C +ATOM 112 CG PRO A 20 1.633 -1.139 9.936 1.00 95.18 C +ATOM 113 CD PRO A 20 1.077 -1.180 8.532 1.00 96.82 C +HETATM 114 N HYP A 21 1.280 -5.178 10.864 1.00 98.05 N +HETATM 115 CA HYP A 21 0.544 -5.947 11.816 1.00 97.89 C +HETATM 116 C HYP A 21 0.062 -5.057 12.953 1.00 98.29 C +HETATM 117 O HYP A 21 0.727 -4.067 13.278 1.00 97.65 O +HETATM 118 CB HYP A 21 1.569 -6.958 12.323 1.00 97.08 C +HETATM 119 CG HYP A 21 2.557 -7.096 11.183 1.00 96.02 C +HETATM 120 CD HYP A 21 2.617 -5.724 10.645 1.00 97.00 C +HETATM 121 OD1 HYP A 21 2.108 -7.987 10.213 1.00 95.47 O +ATOM 122 N GLY A 22 -1.064 -5.393 13.522 1.00 98.14 N +ATOM 123 CA GLY A 22 -1.569 -4.637 14.633 1.00 98.19 C +ATOM 124 C GLY A 22 -0.687 -4.819 15.857 1.00 98.22 C +ATOM 125 O GLY A 22 0.201 -5.676 15.876 1.00 98.02 O +ATOM 126 N PRO A 23 -0.931 -4.016 16.904 1.00 97.50 N +ATOM 127 CA PRO A 23 -0.124 -4.106 18.119 1.00 97.46 C +ATOM 128 C PRO A 23 -0.371 -5.411 18.863 1.00 97.61 C +ATOM 129 O PRO A 23 -1.416 -6.034 18.720 1.00 96.95 O +ATOM 130 CB PRO A 23 -0.572 -2.896 18.929 1.00 96.33 C +ATOM 131 CG PRO A 23 -1.974 -2.679 18.475 1.00 94.66 C +ATOM 132 CD PRO A 23 -1.943 -2.977 17.000 1.00 96.55 C +HETATM 133 N HYP A 24 0.584 -5.809 19.698 1.00 97.67 N +HETATM 134 CA HYP A 24 0.451 -7.006 20.506 1.00 96.96 C +HETATM 135 C HYP A 24 -0.706 -6.866 21.502 1.00 97.68 C +HETATM 136 O HYP A 24 -0.992 -5.763 21.960 1.00 97.12 O +HETATM 137 CB HYP A 24 1.808 -6.989 21.321 1.00 95.28 C +HETATM 138 CG HYP A 24 2.791 -6.217 20.477 1.00 94.08 C +HETATM 139 CD HYP A 24 1.907 -5.181 19.807 1.00 95.65 C +HETATM 140 OD1 HYP A 24 3.362 -7.027 19.464 1.00 93.75 O +ATOM 141 N GLY A 25 -1.358 -7.969 21.775 1.00 96.54 N +ATOM 142 CA GLY A 25 -2.437 -7.952 22.728 1.00 96.66 C +ATOM 143 C GLY A 25 -1.909 -7.704 24.129 1.00 97.03 C +ATOM 144 O GLY A 25 -0.700 -7.784 24.374 1.00 96.64 O +ATOM 145 N PRO A 26 -2.804 -7.428 25.086 1.00 95.51 N +ATOM 146 CA PRO A 26 -2.378 -7.164 26.454 1.00 95.29 C +ATOM 147 C PRO A 26 -1.862 -8.425 27.134 1.00 95.43 C +ATOM 148 O PRO A 26 -2.199 -9.542 26.743 1.00 94.29 O +ATOM 149 CB PRO A 26 -3.652 -6.635 27.121 1.00 93.39 C +ATOM 150 CG PRO A 26 -4.740 -7.288 26.343 1.00 91.94 C +ATOM 151 CD PRO A 26 -4.245 -7.292 24.920 1.00 94.27 C +HETATM 152 N HYP A 27 -1.054 -8.291 28.213 1.00 96.06 N +HETATM 153 CA HYP A 27 -0.549 -9.413 28.935 1.00 94.37 C +HETATM 154 C HYP A 27 -1.655 -10.191 29.651 1.00 96.07 C +HETATM 155 O HYP A 27 -2.674 -9.622 29.968 1.00 95.09 O +HETATM 156 CB HYP A 27 0.318 -8.700 30.073 1.00 93.12 C +HETATM 157 CG HYP A 27 0.695 -7.332 29.524 1.00 91.48 C +HETATM 158 CD HYP A 27 -0.503 -6.985 28.648 1.00 93.43 C +HETATM 159 OD1 HYP A 27 1.845 -7.418 28.700 1.00 90.85 O +ATOM 160 N GLY A 28 -1.456 -11.467 29.804 1.00 91.51 N +ATOM 161 CA GLY A 28 -2.432 -12.274 30.490 1.00 91.27 C +ATOM 162 C GLY A 28 -2.500 -11.905 31.960 1.00 92.04 C +ATOM 163 O GLY A 28 -1.633 -11.195 32.472 1.00 90.61 O +ATOM 164 N PRO A 29 -3.497 -12.420 32.707 1.00 92.81 N +ATOM 165 CA PRO A 29 -3.635 -12.098 34.124 1.00 92.89 C +ATOM 166 C PRO A 29 -2.525 -12.731 34.935 1.00 92.30 C +ATOM 167 O PRO A 29 -1.930 -13.729 34.532 1.00 88.94 O +ATOM 168 CB PRO A 29 -5.007 -12.667 34.482 1.00 89.62 C +ATOM 169 CG PRO A 29 -5.179 -13.782 33.517 1.00 86.76 C +ATOM 170 CD PRO A 29 -4.565 -13.280 32.234 1.00 89.73 C +HETATM 171 N HYP A 30 -2.253 -12.165 36.156 1.00 94.48 N +HETATM 172 CA HYP A 30 -1.203 -12.813 36.918 1.00 90.30 C +HETATM 173 C HYP A 30 -1.724 -14.160 37.505 1.00 90.88 C +HETATM 174 O HYP A 30 -1.336 -14.664 38.480 1.00 89.64 O +HETATM 175 CB HYP A 30 -1.065 -11.809 38.151 1.00 88.09 C +HETATM 176 CG HYP A 30 -1.659 -10.465 37.746 1.00 86.71 C +HETATM 177 CD HYP A 30 -2.675 -10.860 36.669 1.00 91.13 C +HETATM 178 OD1 HYP A 30 -0.656 -9.687 37.154 1.00 84.85 O +HETATM 179 OXT HYP A 30 -2.586 -14.706 36.874 1.00 88.72 O +TER 180 HYP A 30 +END diff --git a/protein_pdb_395.txt b/protein_pdb_395.txt new file mode 100644 index 0000000000000000000000000000000000000000..bf427f096da0ef427fb985a9f9721e76bf2bfffd --- /dev/null +++ b/protein_pdb_395.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 14.672 -1.081 -0.750 1.00 89.31 N +ATOM 2 CA GLY A 1 13.674 -0.492 -1.566 1.00 89.94 C +ATOM 3 C GLY A 1 12.718 0.399 -0.803 1.00 90.43 C +ATOM 4 O GLY A 1 12.646 0.344 0.421 1.00 88.47 O +ATOM 5 N PRO A 2 11.983 1.196 -1.510 1.00 89.51 N +ATOM 6 CA PRO A 2 11.032 2.100 -0.887 1.00 89.89 C +ATOM 7 C PRO A 2 9.776 1.373 -0.450 1.00 89.73 C +ATOM 8 O PRO A 2 9.547 0.228 -0.824 1.00 86.77 O +ATOM 9 CB PRO A 2 10.746 3.102 -2.003 1.00 86.38 C +ATOM 10 CG PRO A 2 10.866 2.272 -3.233 1.00 82.61 C +ATOM 11 CD PRO A 2 12.028 1.354 -2.963 1.00 85.61 C +HETATM 12 N HYP A 3 8.971 2.079 0.359 1.00 90.67 N +HETATM 13 CA HYP A 3 7.714 1.486 0.759 1.00 88.55 C +HETATM 14 C HYP A 3 6.822 1.196 -0.442 1.00 91.65 C +HETATM 15 O HYP A 3 6.863 1.954 -1.434 1.00 92.83 O +HETATM 16 CB HYP A 3 7.040 2.641 1.600 1.00 88.43 C +HETATM 17 CG HYP A 3 8.215 3.439 2.129 1.00 84.14 C +HETATM 18 CD HYP A 3 9.222 3.372 0.939 1.00 87.89 C +HETATM 19 OD1 HYP A 3 8.741 2.745 3.220 1.00 86.84 O +ATOM 20 N GLY A 4 6.137 0.095 -0.368 1.00 93.40 N +ATOM 21 CA GLY A 4 5.237 -0.254 -1.430 1.00 93.25 C +ATOM 22 C GLY A 4 4.062 0.704 -1.474 1.00 94.34 C +ATOM 23 O GLY A 4 3.830 1.474 -0.542 1.00 94.14 O +ATOM 24 N PRO A 5 3.302 0.668 -2.565 1.00 91.70 N +ATOM 25 CA PRO A 5 2.149 1.550 -2.698 1.00 91.98 C +ATOM 26 C PRO A 5 1.017 1.127 -1.778 1.00 91.71 C +ATOM 27 O PRO A 5 0.985 0.008 -1.292 1.00 90.26 O +ATOM 28 CB PRO A 5 1.769 1.398 -4.166 1.00 90.37 C +ATOM 29 CG PRO A 5 2.177 -0.003 -4.479 1.00 88.32 C +ATOM 30 CD PRO A 5 3.460 -0.197 -3.727 1.00 90.64 C +HETATM 31 N HYP A 6 0.095 2.083 -1.535 1.00 90.89 N +HETATM 32 CA HYP A 6 -1.083 1.722 -0.775 1.00 93.45 C +HETATM 33 C HYP A 6 -1.842 0.604 -1.431 1.00 91.46 C +HETATM 34 O HYP A 6 -1.819 0.486 -2.689 1.00 92.56 O +HETATM 35 CB HYP A 6 -1.924 3.039 -0.854 1.00 86.21 C +HETATM 36 CG HYP A 6 -0.905 4.136 -1.054 1.00 84.96 C +HETATM 37 CD HYP A 6 0.120 3.471 -1.973 1.00 88.36 C +HETATM 38 OD1 HYP A 6 -0.301 4.446 0.179 1.00 87.50 O +ATOM 39 N GLY A 7 -2.426 -0.245 -0.642 1.00 92.91 N +ATOM 40 CA GLY A 7 -3.213 -1.327 -1.160 1.00 92.56 C +ATOM 41 C GLY A 7 -4.399 -0.795 -1.939 1.00 93.12 C +ATOM 42 O GLY A 7 -4.769 0.369 -1.818 1.00 92.71 O +ATOM 43 N PRO A 8 -5.003 -1.647 -2.743 1.00 90.12 N +ATOM 44 CA PRO A 8 -6.141 -1.213 -3.536 1.00 89.76 C +ATOM 45 C PRO A 8 -7.362 -0.946 -2.674 1.00 89.91 C +ATOM 46 O PRO A 8 -7.495 -1.475 -1.578 1.00 87.32 O +ATOM 47 CB PRO A 8 -6.376 -2.384 -4.489 1.00 87.32 C +ATOM 48 CG PRO A 8 -5.886 -3.554 -3.714 1.00 86.36 C +ATOM 49 CD PRO A 8 -4.680 -3.047 -2.970 1.00 88.24 C +HETATM 50 N HYP A 9 -8.259 -0.109 -3.195 1.00 87.87 N +HETATM 51 CA HYP A 9 -9.465 0.170 -2.514 1.00 87.19 C +HETATM 52 C HYP A 9 -10.343 -1.051 -2.408 1.00 88.15 C +HETATM 53 O HYP A 9 -10.501 -1.782 -3.404 1.00 88.98 O +HETATM 54 CB HYP A 9 -10.170 1.199 -3.463 1.00 82.41 C +HETATM 55 CG HYP A 9 -9.073 1.817 -4.271 1.00 81.54 C +HETATM 56 CD HYP A 9 -8.087 0.704 -4.427 1.00 86.49 C +HETATM 57 OD1 HYP A 9 -8.470 2.834 -3.506 1.00 82.02 O +ATOM 58 N GLY A 10 -10.854 -1.384 -1.289 1.00 91.53 N +ATOM 59 CA GLY A 10 -11.815 -2.452 -1.149 1.00 89.37 C +ATOM 60 C GLY A 10 -13.184 -1.931 -1.528 1.00 89.43 C +ATOM 61 O GLY A 10 -13.397 -0.721 -1.632 1.00 87.86 O +ATOM 62 N SER A 11 -14.106 -2.822 -1.714 1.00 89.79 N +ATOM 63 CA SER A 11 -15.459 -2.385 -2.044 1.00 90.46 C +ATOM 64 C SER A 11 -16.126 -1.703 -0.854 1.00 91.05 C +ATOM 65 O SER A 11 -17.059 -0.923 -1.029 1.00 89.06 O +ATOM 66 CB SER A 11 -16.300 -3.565 -2.513 1.00 87.00 C +ATOM 67 OG SER A 11 -16.342 -4.562 -1.524 1.00 79.31 O +ATOM 68 N HIS A 12 -15.638 -2.004 0.336 1.00 88.90 N +ATOM 69 CA HIS A 12 -16.210 -1.430 1.553 1.00 90.31 C +ATOM 70 C HIS A 12 -15.144 -1.009 2.555 1.00 90.08 C +ATOM 71 O HIS A 12 -15.416 -0.902 3.751 1.00 85.28 O +ATOM 72 CB HIS A 12 -17.144 -2.437 2.218 1.00 88.78 C +ATOM 73 CG HIS A 12 -18.279 -2.864 1.341 1.00 85.00 C +ATOM 74 ND1 HIS A 12 -19.386 -2.081 1.109 1.00 79.88 N +ATOM 75 CD2 HIS A 12 -18.458 -3.991 0.614 1.00 74.99 C +ATOM 76 CE1 HIS A 12 -20.188 -2.712 0.281 1.00 77.40 C +ATOM 77 NE2 HIS A 12 -19.663 -3.869 -0.037 1.00 78.22 N +ATOM 78 N GLY A 13 -13.948 -0.774 2.101 1.00 91.91 N +ATOM 79 CA GLY A 13 -12.881 -0.436 3.011 1.00 90.61 C +ATOM 80 C GLY A 13 -11.886 0.523 2.414 1.00 91.24 C +ATOM 81 O GLY A 13 -11.846 0.720 1.204 1.00 90.66 O +ATOM 82 N PRO A 14 -11.078 1.135 3.267 1.00 92.73 N +ATOM 83 CA PRO A 14 -10.070 2.076 2.807 1.00 92.47 C +ATOM 84 C PRO A 14 -8.919 1.354 2.125 1.00 92.91 C +ATOM 85 O PRO A 14 -8.782 0.141 2.236 1.00 91.53 O +ATOM 86 CB PRO A 14 -9.617 2.762 4.093 1.00 90.73 C +ATOM 87 CG PRO A 14 -9.772 1.690 5.118 1.00 89.50 C +ATOM 88 CD PRO A 14 -11.035 0.971 4.720 1.00 90.55 C +HETATM 89 N HYP A 15 -8.110 2.143 1.460 1.00 90.57 N +HETATM 90 CA HYP A 15 -6.923 1.582 0.864 1.00 89.86 C +HETATM 91 C HYP A 15 -6.051 0.947 1.903 1.00 91.68 C +HETATM 92 O HYP A 15 -6.057 1.402 3.082 1.00 91.27 O +HETATM 93 CB HYP A 15 -6.263 2.846 0.277 1.00 86.29 C +HETATM 94 CG HYP A 15 -7.413 3.823 0.046 1.00 84.90 C +HETATM 95 CD HYP A 15 -8.308 3.564 1.236 1.00 89.16 C +HETATM 96 OD1 HYP A 15 -8.078 3.509 -1.141 1.00 86.30 O +ATOM 97 N GLY A 16 -5.366 -0.095 1.538 1.00 94.03 N +ATOM 98 CA GLY A 16 -4.459 -0.730 2.449 1.00 93.85 C +ATOM 99 C GLY A 16 -3.284 0.172 2.750 1.00 94.44 C +ATOM 100 O GLY A 16 -3.054 1.170 2.059 1.00 94.25 O +ATOM 101 N PRO A 17 -2.532 -0.160 3.787 1.00 88.91 N +ATOM 102 CA PRO A 17 -1.366 0.638 4.147 1.00 88.45 C +ATOM 103 C PRO A 17 -0.254 0.452 3.131 1.00 89.53 C +ATOM 104 O PRO A 17 -0.261 -0.488 2.349 1.00 88.07 O +ATOM 105 CB PRO A 17 -0.976 0.093 5.513 1.00 86.75 C +ATOM 106 CG PRO A 17 -1.423 -1.327 5.453 1.00 85.10 C +ATOM 107 CD PRO A 17 -2.710 -1.297 4.689 1.00 86.25 C +HETATM 108 N HYP A 18 0.701 1.394 3.161 1.00 85.29 N +HETATM 109 CA HYP A 18 1.842 1.215 2.329 1.00 85.06 C +HETATM 110 C HYP A 18 2.534 -0.086 2.599 1.00 85.77 C +HETATM 111 O HYP A 18 2.556 -0.554 3.764 1.00 89.67 O +HETATM 112 CB HYP A 18 2.743 2.407 2.730 1.00 82.09 C +HETATM 113 CG HYP A 18 1.785 3.463 3.224 1.00 80.98 C +HETATM 114 CD HYP A 18 0.734 2.618 3.940 1.00 87.13 C +HETATM 115 OD1 HYP A 18 1.184 4.122 2.124 1.00 84.63 O +ATOM 116 N GLY A 19 3.043 -0.710 1.569 1.00 84.84 N +ATOM 117 CA GLY A 19 3.761 -1.938 1.717 1.00 84.37 C +ATOM 118 C GLY A 19 5.063 -1.713 2.463 1.00 84.34 C +ATOM 119 O GLY A 19 5.515 -0.582 2.619 1.00 85.28 O +ATOM 120 N PRO A 20 5.679 -2.781 2.922 1.00 77.90 N +ATOM 121 CA PRO A 20 6.938 -2.652 3.636 1.00 78.87 C +ATOM 122 C PRO A 20 8.068 -2.273 2.695 1.00 78.14 C +ATOM 123 O PRO A 20 7.963 -2.443 1.486 1.00 78.58 O +ATOM 124 CB PRO A 20 7.143 -4.044 4.230 1.00 76.17 C +ATOM 125 CG PRO A 20 6.461 -4.936 3.249 1.00 73.46 C +ATOM 126 CD PRO A 20 5.249 -4.173 2.818 1.00 75.74 C +HETATM 127 N HYP A 21 9.128 -1.738 3.286 1.00 84.06 N +HETATM 128 CA HYP A 21 10.290 -1.453 2.482 1.00 82.59 C +HETATM 129 C HYP A 21 10.840 -2.676 1.768 1.00 82.05 C +HETATM 130 O HYP A 21 10.779 -3.771 2.332 1.00 89.01 O +HETATM 131 CB HYP A 21 11.306 -0.927 3.496 1.00 79.89 C +HETATM 132 CG HYP A 21 10.494 -0.383 4.639 1.00 74.81 C +HETATM 133 CD HYP A 21 9.311 -1.344 4.690 1.00 84.35 C +HETATM 134 OD1 HYP A 21 9.997 0.909 4.285 1.00 78.62 O +ATOM 135 N GLY A 22 11.271 -2.507 0.576 1.00 85.84 N +ATOM 136 CA GLY A 22 11.861 -3.586 -0.160 1.00 83.75 C +ATOM 137 C GLY A 22 13.229 -3.923 0.413 1.00 83.74 C +ATOM 138 O GLY A 22 13.721 -3.241 1.311 1.00 84.83 O +ATOM 139 N PRO A 23 13.876 -4.966 -0.094 1.00 89.80 N +ATOM 140 CA PRO A 23 15.194 -5.350 0.393 1.00 89.95 C +ATOM 141 C PRO A 23 16.250 -4.372 -0.104 1.00 88.40 C +ATOM 142 O PRO A 23 16.742 -4.499 -1.222 1.00 85.55 O +ATOM 143 CB PRO A 23 15.378 -6.745 -0.181 1.00 86.68 C +ATOM 144 CG PRO A 23 14.587 -6.724 -1.435 1.00 83.59 C +ATOM 145 CD PRO A 23 13.395 -5.851 -1.136 1.00 87.56 C +HETATM 146 N HYP A 24 16.508 -3.340 0.578 1.00 91.37 N +HETATM 147 CA HYP A 24 17.074 -2.037 0.088 1.00 88.93 C +HETATM 148 C HYP A 24 16.208 -1.091 -0.467 1.00 90.15 C +HETATM 149 O HYP A 24 16.564 -0.564 -1.646 1.00 92.16 O +HETATM 150 CB HYP A 24 17.938 -1.541 1.238 1.00 82.81 C +HETATM 151 CG HYP A 24 18.064 -2.691 2.266 1.00 82.87 C +HETATM 152 CD HYP A 24 17.182 -3.824 1.711 1.00 87.63 C +HETATM 153 OD1 HYP A 24 19.379 -3.152 2.314 1.00 86.22 O +HETATM 154 OXT HYP A 24 15.712 -0.018 0.319 1.00 87.83 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_396.txt b/protein_pdb_396.txt new file mode 100644 index 0000000000000000000000000000000000000000..9d445941eecd6ad8abd43a4f179991ce0967503b --- /dev/null +++ b/protein_pdb_396.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 9.653 -1.336 -11.456 1.00 87.54 N +ATOM 2 CA GLY A 1 8.443 -2.126 -11.382 1.00 88.83 C +ATOM 3 C GLY A 1 7.297 -1.296 -10.879 1.00 89.43 C +ATOM 4 O GLY A 1 7.448 -0.107 -10.595 1.00 87.25 O +ATOM 5 N PRO A 2 6.066 -1.895 -10.689 1.00 88.44 N +ATOM 6 CA PRO A 2 4.893 -1.162 -10.233 1.00 89.38 C +ATOM 7 C PRO A 2 4.966 -0.828 -8.753 1.00 88.93 C +ATOM 8 O PRO A 2 5.736 -1.406 -8.007 1.00 87.01 O +ATOM 9 CB PRO A 2 3.745 -2.126 -10.534 1.00 86.25 C +ATOM 10 CG PRO A 2 4.376 -3.468 -10.426 1.00 81.75 C +ATOM 11 CD PRO A 2 5.757 -3.294 -10.995 1.00 83.58 C +HETATM 12 N HYP A 3 4.158 0.104 -8.372 1.00 89.77 N +HETATM 13 CA HYP A 3 4.061 0.462 -6.943 1.00 88.86 C +HETATM 14 C HYP A 3 3.629 -0.726 -6.105 1.00 89.48 C +HETATM 15 O HYP A 3 2.923 -1.632 -6.630 1.00 92.21 O +HETATM 16 CB HYP A 3 2.926 1.529 -6.979 1.00 89.65 C +HETATM 17 CG HYP A 3 2.973 2.115 -8.392 1.00 86.03 C +HETATM 18 CD HYP A 3 3.304 0.871 -9.257 1.00 89.50 C +HETATM 19 OD1 HYP A 3 4.057 3.009 -8.472 1.00 87.08 O +ATOM 20 N GLY A 4 4.070 -0.752 -4.885 1.00 92.00 N +ATOM 21 CA GLY A 4 3.688 -1.813 -3.996 1.00 92.15 C +ATOM 22 C GLY A 4 2.234 -1.678 -3.581 1.00 93.01 C +ATOM 23 O GLY A 4 1.566 -0.707 -3.917 1.00 93.47 O +ATOM 24 N PRO A 5 1.748 -2.663 -2.842 1.00 92.04 N +ATOM 25 CA PRO A 5 0.357 -2.626 -2.409 1.00 92.26 C +ATOM 26 C PRO A 5 0.132 -1.591 -1.320 1.00 92.14 C +ATOM 27 O PRO A 5 1.066 -1.140 -0.668 1.00 91.52 O +ATOM 28 CB PRO A 5 0.128 -4.045 -1.891 1.00 91.10 C +ATOM 29 CG PRO A 5 1.476 -4.463 -1.409 1.00 89.04 C +ATOM 30 CD PRO A 5 2.438 -3.867 -2.401 1.00 91.05 C +HETATM 31 N HYP A 6 -1.134 -1.201 -1.163 1.00 93.58 N +HETATM 32 CA HYP A 6 -1.479 -0.317 -0.083 1.00 93.88 C +HETATM 33 C HYP A 6 -1.123 -0.878 1.268 1.00 94.67 C +HETATM 34 O HYP A 6 -1.111 -2.122 1.460 1.00 93.48 O +HETATM 35 CB HYP A 6 -3.040 -0.245 -0.236 1.00 90.79 C +HETATM 36 CG HYP A 6 -3.282 -0.456 -1.709 1.00 89.51 C +HETATM 37 CD HYP A 6 -2.258 -1.526 -2.053 1.00 91.59 C +HETATM 38 OD1 HYP A 6 -2.993 0.728 -2.405 1.00 89.67 O +ATOM 39 N GLY A 7 -0.795 -0.011 2.178 1.00 93.12 N +ATOM 40 CA GLY A 7 -0.474 -0.415 3.516 1.00 92.35 C +ATOM 41 C GLY A 7 -1.698 -0.937 4.236 1.00 92.90 C +ATOM 42 O GLY A 7 -2.809 -0.905 3.708 1.00 92.97 O +ATOM 43 N PRO A 8 -1.487 -1.418 5.452 1.00 93.34 N +ATOM 44 CA PRO A 8 -2.604 -1.963 6.211 1.00 93.25 C +ATOM 45 C PRO A 8 -3.581 -0.882 6.649 1.00 93.22 C +ATOM 46 O PRO A 8 -3.220 0.271 6.826 1.00 91.95 O +ATOM 47 CB PRO A 8 -1.932 -2.632 7.402 1.00 91.64 C +ATOM 48 CG PRO A 8 -0.670 -1.874 7.571 1.00 90.78 C +ATOM 49 CD PRO A 8 -0.229 -1.515 6.178 1.00 92.38 C +HETATM 50 N HYP A 9 -4.824 -1.295 6.864 1.00 92.97 N +HETATM 51 CA HYP A 9 -5.828 -0.405 7.285 1.00 91.57 C +HETATM 52 C HYP A 9 -5.636 -0.021 8.752 1.00 92.58 C +HETATM 53 O HYP A 9 -5.128 -0.828 9.542 1.00 91.33 O +HETATM 54 CB HYP A 9 -7.123 -1.287 7.254 1.00 88.08 C +HETATM 55 CG HYP A 9 -6.794 -2.423 6.349 1.00 86.84 C +HETATM 56 CD HYP A 9 -5.352 -2.651 6.554 1.00 90.00 C +HETATM 57 OD1 HYP A 9 -6.993 -2.014 5.022 1.00 86.71 O +ATOM 58 N GLY A 10 -5.982 1.168 9.135 1.00 92.08 N +ATOM 59 CA GLY A 10 -6.031 1.534 10.529 1.00 90.05 C +ATOM 60 C GLY A 10 -7.270 0.919 11.145 1.00 90.89 C +ATOM 61 O GLY A 10 -8.092 0.315 10.458 1.00 89.63 O +ATOM 62 N MET A 11 -7.425 1.092 12.444 1.00 93.13 N +ATOM 63 CA MET A 11 -8.588 0.515 13.117 1.00 94.21 C +ATOM 64 C MET A 11 -9.890 0.957 12.450 1.00 94.51 C +ATOM 65 O MET A 11 -10.822 0.171 12.314 1.00 91.75 O +ATOM 66 CB MET A 11 -8.588 0.916 14.587 1.00 93.02 C +ATOM 67 CG MET A 11 -9.673 0.240 15.387 1.00 89.19 C +ATOM 68 SD MET A 11 -9.526 0.546 17.143 1.00 83.24 S +ATOM 69 CE MET A 11 -8.084 -0.447 17.513 1.00 75.60 C +ATOM 70 N SER A 12 -9.930 2.207 12.025 1.00 93.86 N +ATOM 71 CA SER A 12 -11.090 2.720 11.305 1.00 94.62 C +ATOM 72 C SER A 12 -10.638 3.649 10.188 1.00 94.92 C +ATOM 73 O SER A 12 -11.426 4.417 9.650 1.00 91.70 O +ATOM 74 CB SER A 12 -12.027 3.466 12.261 1.00 92.29 C +ATOM 75 OG SER A 12 -11.366 4.563 12.831 1.00 86.44 O +ATOM 76 N GLY A 13 -9.367 3.566 9.850 1.00 94.60 N +ATOM 77 CA GLY A 13 -8.793 4.446 8.853 1.00 93.84 C +ATOM 78 C GLY A 13 -8.564 3.758 7.523 1.00 94.39 C +ATOM 79 O GLY A 13 -8.716 2.546 7.399 1.00 94.24 O +ATOM 80 N PRO A 14 -8.206 4.534 6.525 1.00 93.21 N +ATOM 81 CA PRO A 14 -7.979 3.988 5.200 1.00 93.08 C +ATOM 82 C PRO A 14 -6.677 3.216 5.126 1.00 93.31 C +ATOM 83 O PRO A 14 -5.819 3.326 5.996 1.00 92.22 O +ATOM 84 CB PRO A 14 -7.935 5.225 4.311 1.00 91.72 C +ATOM 85 CG PRO A 14 -7.365 6.268 5.209 1.00 90.49 C +ATOM 86 CD PRO A 14 -7.976 5.979 6.559 1.00 91.68 C +HETATM 87 N HYP A 15 -6.583 2.465 4.086 1.00 94.76 N +HETATM 88 CA HYP A 15 -5.344 1.772 3.811 1.00 94.38 C +HETATM 89 C HYP A 15 -4.218 2.750 3.636 1.00 95.08 C +HETATM 90 O HYP A 15 -4.453 3.928 3.262 1.00 93.83 O +HETATM 91 CB HYP A 15 -5.710 1.077 2.480 1.00 91.66 C +HETATM 92 CG HYP A 15 -7.221 0.903 2.521 1.00 90.39 C +HETATM 93 CD HYP A 15 -7.676 2.177 3.165 1.00 92.70 C +HETATM 94 OD1 HYP A 15 -7.578 -0.190 3.310 1.00 90.52 O +ATOM 95 N GLY A 16 -3.033 2.321 3.911 1.00 94.21 N +ATOM 96 CA GLY A 16 -1.881 3.156 3.703 1.00 93.95 C +ATOM 97 C GLY A 16 -1.618 3.348 2.225 1.00 94.53 C +ATOM 98 O GLY A 16 -2.282 2.739 1.377 1.00 94.32 O +ATOM 99 N PRO A 17 -0.657 4.191 1.912 1.00 93.90 N +ATOM 100 CA PRO A 17 -0.339 4.444 0.517 1.00 93.68 C +ATOM 101 C PRO A 17 0.359 3.259 -0.123 1.00 94.12 C +ATOM 102 O PRO A 17 0.899 2.398 0.563 1.00 93.28 O +ATOM 103 CB PRO A 17 0.573 5.667 0.581 1.00 92.70 C +ATOM 104 CG PRO A 17 1.228 5.542 1.908 1.00 91.58 C +ATOM 105 CD PRO A 17 0.172 4.983 2.818 1.00 92.86 C +HETATM 106 N HYP A 18 0.330 3.214 -1.440 1.00 92.09 N +HETATM 107 CA HYP A 18 1.070 2.222 -2.143 1.00 93.68 C +HETATM 108 C HYP A 18 2.535 2.278 -1.835 1.00 92.85 C +HETATM 109 O HYP A 18 3.070 3.361 -1.499 1.00 92.13 O +HETATM 110 CB HYP A 18 0.833 2.613 -3.627 1.00 89.22 C +HETATM 111 CG HYP A 18 -0.509 3.315 -3.624 1.00 88.53 C +HETATM 112 CD HYP A 18 -0.471 4.061 -2.311 1.00 92.09 C +HETATM 113 OD1 HYP A 18 -1.541 2.342 -3.602 1.00 88.45 O +ATOM 114 N GLY A 19 3.187 1.160 -1.902 1.00 92.00 N +ATOM 115 CA GLY A 19 4.601 1.087 -1.682 1.00 91.89 C +ATOM 116 C GLY A 19 5.361 1.758 -2.815 1.00 92.21 C +ATOM 117 O GLY A 19 4.777 2.177 -3.814 1.00 92.60 O +ATOM 118 N PRO A 20 6.663 1.852 -2.654 1.00 85.01 N +ATOM 119 CA PRO A 20 7.472 2.493 -3.681 1.00 85.25 C +ATOM 120 C PRO A 20 7.551 1.645 -4.941 1.00 84.31 C +ATOM 121 O PRO A 20 7.343 0.436 -4.912 1.00 85.49 O +ATOM 122 CB PRO A 20 8.834 2.630 -3.015 1.00 83.16 C +ATOM 123 CG PRO A 20 8.867 1.508 -2.037 1.00 79.63 C +ATOM 124 CD PRO A 20 7.464 1.409 -1.519 1.00 79.70 C +HETATM 125 N HYP A 21 7.859 2.310 -6.021 1.00 89.96 N +HETATM 126 CA HYP A 21 8.054 1.600 -7.258 1.00 89.28 C +HETATM 127 C HYP A 21 9.214 0.610 -7.208 1.00 89.76 C +HETATM 128 O HYP A 21 10.127 0.798 -6.404 1.00 92.54 O +HETATM 129 CB HYP A 21 8.418 2.725 -8.253 1.00 87.77 C +HETATM 130 CG HYP A 21 7.800 3.966 -7.676 1.00 83.41 C +HETATM 131 CD HYP A 21 7.963 3.752 -6.178 1.00 89.05 C +HETATM 132 OD1 HYP A 21 6.396 3.967 -7.960 1.00 87.09 O +ATOM 133 N GLY A 22 9.100 -0.436 -7.937 1.00 90.01 N +ATOM 134 CA GLY A 22 10.171 -1.387 -8.017 1.00 88.06 C +ATOM 135 C GLY A 22 11.318 -0.799 -8.820 1.00 87.64 C +ATOM 136 O GLY A 22 11.269 0.350 -9.256 1.00 87.30 O +ATOM 137 N PRO A 23 12.371 -1.582 -9.036 1.00 92.41 N +ATOM 138 CA PRO A 23 13.509 -1.086 -9.797 1.00 91.66 C +ATOM 139 C PRO A 23 13.132 -0.834 -11.242 1.00 90.23 C +ATOM 140 O PRO A 23 12.172 -1.388 -11.762 1.00 86.61 O +ATOM 141 CB PRO A 23 14.535 -2.201 -9.659 1.00 89.00 C +ATOM 142 CG PRO A 23 13.709 -3.411 -9.446 1.00 87.19 C +ATOM 143 CD PRO A 23 12.544 -2.959 -8.616 1.00 89.74 C +HETATM 144 N HYP A 24 13.833 -0.038 -11.897 1.00 91.97 N +HETATM 145 CA HYP A 24 13.497 0.236 -13.287 1.00 88.12 C +HETATM 146 C HYP A 24 12.907 -0.887 -14.001 1.00 89.09 C +HETATM 147 O HYP A 24 13.567 -1.614 -14.722 1.00 85.05 O +HETATM 148 CB HYP A 24 14.761 0.793 -13.900 1.00 88.01 C +HETATM 149 CG HYP A 24 15.627 1.229 -12.746 1.00 86.44 C +HETATM 150 CD HYP A 24 15.160 0.377 -11.566 1.00 90.01 C +HETATM 151 OD1 HYP A 24 15.368 2.596 -12.420 1.00 85.23 O +HETATM 152 OXT HYP A 24 11.670 -1.001 -13.885 1.00 82.90 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_397.txt b/protein_pdb_397.txt new file mode 100644 index 0000000000000000000000000000000000000000..f6132cf4d0c839fb793556f6e0a2f429849bd8a5 --- /dev/null +++ b/protein_pdb_397.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 13.563 2.993 5.040 1.00 89.54 N +ATOM 2 CA GLY A 1 13.034 3.475 3.790 1.00 90.34 C +ATOM 3 C GLY A 1 11.632 4.022 3.934 1.00 90.62 C +ATOM 4 O GLY A 1 11.034 3.933 4.997 1.00 88.83 O +ATOM 5 N PRO A 2 11.050 4.556 2.861 1.00 89.93 N +ATOM 6 CA PRO A 2 9.720 5.132 2.919 1.00 90.29 C +ATOM 7 C PRO A 2 8.644 4.065 2.965 1.00 90.01 C +ATOM 8 O PRO A 2 8.890 2.901 2.671 1.00 87.85 O +ATOM 9 CB PRO A 2 9.651 5.957 1.637 1.00 86.78 C +ATOM 10 CG PRO A 2 10.500 5.171 0.700 1.00 83.78 C +ATOM 11 CD PRO A 2 11.669 4.735 1.555 1.00 86.23 C +HETATM 12 N HYP A 3 7.447 4.494 3.359 1.00 89.25 N +HETATM 13 CA HYP A 3 6.331 3.547 3.359 1.00 87.55 C +HETATM 14 C HYP A 3 6.048 3.005 1.964 1.00 89.59 C +HETATM 15 O HYP A 3 6.279 3.725 0.963 1.00 91.72 O +HETATM 16 CB HYP A 3 5.119 4.519 3.745 1.00 88.30 C +HETATM 17 CG HYP A 3 5.756 5.641 4.540 1.00 86.16 C +HETATM 18 CD HYP A 3 7.134 5.823 3.813 1.00 89.12 C +HETATM 19 OD1 HYP A 3 5.979 5.190 5.833 1.00 87.24 O +ATOM 20 N GLY A 4 5.664 1.751 1.922 1.00 91.00 N +ATOM 21 CA GLY A 4 5.373 1.136 0.656 1.00 89.78 C +ATOM 22 C GLY A 4 4.114 1.735 0.054 1.00 90.01 C +ATOM 23 O GLY A 4 3.373 2.446 0.722 1.00 90.45 O +ATOM 24 N PRO A 5 3.864 1.447 -1.223 1.00 90.50 N +ATOM 25 CA PRO A 5 2.682 1.978 -1.886 1.00 89.86 C +ATOM 26 C PRO A 5 1.422 1.295 -1.380 1.00 89.34 C +ATOM 27 O PRO A 5 1.476 0.232 -0.778 1.00 88.31 O +ATOM 28 CB PRO A 5 2.945 1.675 -3.358 1.00 87.93 C +ATOM 29 CG PRO A 5 3.740 0.418 -3.296 1.00 86.45 C +ATOM 30 CD PRO A 5 4.669 0.638 -2.131 1.00 89.02 C +HETATM 31 N HYP A 6 0.271 1.968 -1.618 1.00 91.76 N +HETATM 32 CA HYP A 6 -0.972 1.322 -1.266 1.00 93.06 C +HETATM 33 C HYP A 6 -1.138 0.024 -1.978 1.00 93.19 C +HETATM 34 O HYP A 6 -0.653 -0.144 -3.129 1.00 91.39 O +HETATM 35 CB HYP A 6 -2.007 2.363 -1.821 1.00 88.83 C +HETATM 36 CG HYP A 6 -1.287 3.689 -1.790 1.00 87.60 C +HETATM 37 CD HYP A 6 0.134 3.299 -2.187 1.00 89.50 C +HETATM 38 OD1 HYP A 6 -1.292 4.203 -0.476 1.00 87.69 O +ATOM 39 N GLY A 7 -1.744 -0.931 -1.312 1.00 91.00 N +ATOM 40 CA GLY A 7 -1.959 -2.227 -1.891 1.00 89.36 C +ATOM 41 C GLY A 7 -2.892 -2.125 -3.075 1.00 89.32 C +ATOM 42 O GLY A 7 -3.551 -1.109 -3.282 1.00 89.23 O +ATOM 43 N PRO A 8 -2.954 -3.176 -3.874 1.00 90.60 N +ATOM 44 CA PRO A 8 -3.828 -3.165 -5.040 1.00 90.06 C +ATOM 45 C PRO A 8 -5.283 -3.254 -4.641 1.00 90.13 C +ATOM 46 O PRO A 8 -5.624 -3.709 -3.552 1.00 88.67 O +ATOM 47 CB PRO A 8 -3.370 -4.384 -5.830 1.00 87.64 C +ATOM 48 CG PRO A 8 -2.935 -5.321 -4.757 1.00 86.45 C +ATOM 49 CD PRO A 8 -2.223 -4.424 -3.771 1.00 88.14 C +HETATM 50 N HYP A 9 -6.154 -2.814 -5.543 1.00 89.55 N +HETATM 51 CA HYP A 9 -7.557 -2.909 -5.291 1.00 88.99 C +HETATM 52 C HYP A 9 -7.996 -4.356 -5.259 1.00 89.35 C +HETATM 53 O HYP A 9 -7.450 -5.194 -6.004 1.00 87.73 O +HETATM 54 CB HYP A 9 -8.171 -2.275 -6.590 1.00 83.71 C +HETATM 55 CG HYP A 9 -7.123 -1.396 -7.147 1.00 84.03 C +HETATM 56 CD HYP A 9 -5.833 -2.091 -6.804 1.00 88.24 C +HETATM 57 OD1 HYP A 9 -7.161 -0.159 -6.455 1.00 82.69 O +ATOM 58 N GLY A 10 -8.921 -4.716 -4.443 1.00 89.90 N +ATOM 59 CA GLY A 10 -9.459 -6.048 -4.466 1.00 86.59 C +ATOM 60 C GLY A 10 -10.373 -6.146 -5.669 1.00 86.21 C +ATOM 61 O GLY A 10 -10.388 -5.264 -6.525 1.00 84.27 O +ATOM 62 N PHE A 11 -11.150 -7.208 -5.736 1.00 89.21 N +ATOM 63 CA PHE A 11 -12.074 -7.330 -6.855 1.00 90.80 C +ATOM 64 C PHE A 11 -13.066 -6.172 -6.849 1.00 91.16 C +ATOM 65 O PHE A 11 -13.656 -5.845 -7.876 1.00 89.67 O +ATOM 66 CB PHE A 11 -12.813 -8.660 -6.774 1.00 89.30 C +ATOM 67 CG PHE A 11 -11.940 -9.821 -7.171 1.00 85.39 C +ATOM 68 CD1 PHE A 11 -11.701 -10.094 -8.509 1.00 82.34 C +ATOM 69 CD2 PHE A 11 -11.334 -10.616 -6.206 1.00 82.28 C +ATOM 70 CE1 PHE A 11 -10.877 -11.136 -8.882 1.00 80.75 C +ATOM 71 CE2 PHE A 11 -10.492 -11.663 -6.578 1.00 82.01 C +ATOM 72 CZ PHE A 11 -10.274 -11.929 -7.918 1.00 81.40 C +ATOM 73 N VAL A 12 -13.226 -5.550 -5.688 1.00 89.69 N +ATOM 74 CA VAL A 12 -14.096 -4.393 -5.548 1.00 90.91 C +ATOM 75 C VAL A 12 -13.590 -3.488 -4.436 1.00 91.02 C +ATOM 76 O VAL A 12 -13.691 -2.273 -4.520 1.00 88.09 O +ATOM 77 CB VAL A 12 -15.556 -4.818 -5.249 1.00 87.63 C +ATOM 78 CG1 VAL A 12 -15.624 -5.630 -3.972 1.00 81.41 C +ATOM 79 CG2 VAL A 12 -16.447 -3.585 -5.122 1.00 81.35 C +ATOM 80 N GLY A 13 -13.030 -4.086 -3.401 1.00 92.59 N +ATOM 81 CA GLY A 13 -12.544 -3.351 -2.254 1.00 91.84 C +ATOM 82 C GLY A 13 -11.535 -2.266 -2.567 1.00 92.74 C +ATOM 83 O GLY A 13 -10.953 -2.227 -3.649 1.00 92.78 O +ATOM 84 N PRO A 14 -11.325 -1.355 -1.618 1.00 93.02 N +ATOM 85 CA PRO A 14 -10.406 -0.238 -1.797 1.00 92.55 C +ATOM 86 C PRO A 14 -8.954 -0.692 -1.769 1.00 92.82 C +ATOM 87 O PRO A 14 -8.649 -1.813 -1.378 1.00 91.53 O +ATOM 88 CB PRO A 14 -10.732 0.682 -0.639 1.00 90.67 C +ATOM 89 CG PRO A 14 -11.122 -0.274 0.435 1.00 89.67 C +ATOM 90 CD PRO A 14 -11.947 -1.307 -0.298 1.00 91.25 C +HETATM 91 N HYP A 15 -8.075 0.248 -2.158 1.00 93.05 N +HETATM 92 CA HYP A 15 -6.666 -0.084 -2.106 1.00 93.35 C +HETATM 93 C HYP A 15 -6.230 -0.385 -0.694 1.00 93.57 C +HETATM 94 O HYP A 15 -6.823 0.160 0.264 1.00 92.50 O +HETATM 95 CB HYP A 15 -6.044 1.306 -2.524 1.00 90.93 C +HETATM 96 CG HYP A 15 -7.094 1.972 -3.386 1.00 90.05 C +HETATM 97 CD HYP A 15 -8.380 1.576 -2.702 1.00 92.38 C +HETATM 98 OD1 HYP A 15 -7.065 1.455 -4.680 1.00 90.28 O +ATOM 99 N GLY A 16 -5.278 -1.257 -0.575 1.00 94.02 N +ATOM 100 CA GLY A 16 -4.791 -1.597 0.728 1.00 93.25 C +ATOM 101 C GLY A 16 -4.027 -0.432 1.326 1.00 93.44 C +ATOM 102 O GLY A 16 -3.744 0.551 0.636 1.00 93.14 O +ATOM 103 N PRO A 17 -3.687 -0.526 2.610 1.00 92.53 N +ATOM 104 CA PRO A 17 -2.952 0.544 3.270 1.00 91.68 C +ATOM 105 C PRO A 17 -1.518 0.609 2.768 1.00 92.23 C +ATOM 106 O PRO A 17 -1.008 -0.340 2.181 1.00 90.72 O +ATOM 107 CB PRO A 17 -3.032 0.175 4.739 1.00 89.66 C +ATOM 108 CG PRO A 17 -3.074 -1.313 4.699 1.00 88.71 C +ATOM 109 CD PRO A 17 -3.980 -1.614 3.531 1.00 90.22 C +HETATM 110 N HYP A 18 -0.864 1.778 3.010 1.00 87.28 N +HETATM 111 CA HYP A 18 0.514 1.842 2.661 1.00 89.09 C +HETATM 112 C HYP A 18 1.330 0.786 3.364 1.00 89.89 C +HETATM 113 O HYP A 18 1.007 0.403 4.503 1.00 87.78 O +HETATM 114 CB HYP A 18 0.913 3.245 3.220 1.00 87.52 C +HETATM 115 CG HYP A 18 -0.365 4.050 3.168 1.00 85.74 C +HETATM 116 CD HYP A 18 -1.405 3.003 3.538 1.00 89.25 C +HETATM 117 OD1 HYP A 18 -0.593 4.508 1.847 1.00 86.58 O +ATOM 118 N GLY A 19 2.320 0.269 2.685 1.00 87.13 N +ATOM 119 CA GLY A 19 3.161 -0.742 3.253 1.00 86.19 C +ATOM 120 C GLY A 19 3.984 -0.158 4.386 1.00 86.10 C +ATOM 121 O GLY A 19 4.043 1.057 4.563 1.00 87.07 O +ATOM 122 N PRO A 20 4.627 -1.019 5.169 1.00 82.82 N +ATOM 123 CA PRO A 20 5.439 -0.536 6.272 1.00 82.19 C +ATOM 124 C PRO A 20 6.705 0.134 5.768 1.00 82.00 C +ATOM 125 O PRO A 20 7.118 -0.063 4.629 1.00 82.85 O +ATOM 126 CB PRO A 20 5.739 -1.804 7.059 1.00 79.24 C +ATOM 127 CG PRO A 20 5.764 -2.851 5.994 1.00 76.44 C +ATOM 128 CD PRO A 20 4.621 -2.462 5.092 1.00 78.44 C +HETATM 129 N HYP A 21 7.301 0.942 6.633 1.00 87.35 N +HETATM 130 CA HYP A 21 8.573 1.542 6.259 1.00 87.09 C +HETATM 131 C HYP A 21 9.644 0.511 5.908 1.00 88.08 C +HETATM 132 O HYP A 21 9.647 -0.567 6.497 1.00 90.34 O +HETATM 133 CB HYP A 21 8.964 2.307 7.535 1.00 86.14 C +HETATM 134 CG HYP A 21 7.662 2.614 8.222 1.00 79.62 C +HETATM 135 CD HYP A 21 6.813 1.376 7.938 1.00 88.02 C +HETATM 136 OD1 HYP A 21 7.027 3.726 7.592 1.00 80.77 O +ATOM 137 N GLY A 22 10.431 0.799 4.927 1.00 85.54 N +ATOM 138 CA GLY A 22 11.477 -0.098 4.535 1.00 82.36 C +ATOM 139 C GLY A 22 12.572 -0.086 5.590 1.00 81.40 C +ATOM 140 O GLY A 22 12.499 0.667 6.560 1.00 81.91 O +ATOM 141 N PRO A 23 13.617 -0.888 5.424 1.00 89.14 N +ATOM 142 CA PRO A 23 14.702 -0.898 6.394 1.00 89.27 C +ATOM 143 C PRO A 23 15.431 0.431 6.363 1.00 87.90 C +ATOM 144 O PRO A 23 15.847 0.899 5.310 1.00 84.53 O +ATOM 145 CB PRO A 23 15.582 -2.050 5.921 1.00 85.40 C +ATOM 146 CG PRO A 23 15.323 -2.102 4.454 1.00 82.09 C +ATOM 147 CD PRO A 23 13.854 -1.810 4.333 1.00 85.60 C +HETATM 148 N HYP A 24 15.591 1.079 7.435 1.00 91.55 N +HETATM 149 CA HYP A 24 16.111 2.479 7.386 1.00 87.64 C +HETATM 150 C HYP A 24 15.348 3.348 6.467 1.00 89.77 C +HETATM 151 O HYP A 24 15.095 4.575 6.634 1.00 89.73 O +HETATM 152 CB HYP A 24 16.122 2.865 8.794 1.00 86.91 C +HETATM 153 CG HYP A 24 16.153 1.550 9.607 1.00 86.23 C +HETATM 154 CD HYP A 24 15.714 0.460 8.656 1.00 90.24 C +HETATM 155 OD1 HYP A 24 17.436 1.258 10.043 1.00 85.76 O +HETATM 156 OXT HYP A 24 15.203 3.034 5.301 1.00 86.99 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_398.txt b/protein_pdb_398.txt new file mode 100644 index 0000000000000000000000000000000000000000..20435f83ce81e20f39c5bf01cc1b1457dae53edb --- /dev/null +++ b/protein_pdb_398.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 1.163 -13.786 -10.353 1.00 91.34 N +ATOM 2 CA GLY A 1 0.375 -12.611 -10.542 1.00 91.40 C +ATOM 3 C GLY A 1 1.132 -11.299 -10.447 1.00 92.00 C +ATOM 4 O GLY A 1 2.324 -11.277 -10.143 1.00 90.73 O +ATOM 5 N PRO A 2 0.445 -10.239 -10.682 1.00 91.91 N +ATOM 6 CA PRO A 2 1.021 -8.905 -10.653 1.00 92.17 C +ATOM 7 C PRO A 2 1.253 -8.411 -9.232 1.00 92.21 C +ATOM 8 O PRO A 2 0.775 -9.002 -8.270 1.00 91.08 O +ATOM 9 CB PRO A 2 -0.029 -8.067 -11.370 1.00 89.76 C +ATOM 10 CG PRO A 2 -1.309 -8.743 -11.017 1.00 85.82 C +ATOM 11 CD PRO A 2 -0.983 -10.208 -11.024 1.00 88.65 C +HETATM 12 N HYP A 3 1.996 -7.309 -9.138 1.00 89.37 N +HETATM 13 CA HYP A 3 2.208 -6.711 -7.836 1.00 92.15 C +HETATM 14 C HYP A 3 0.903 -6.346 -7.131 1.00 91.77 C +HETATM 15 O HYP A 3 -0.092 -6.034 -7.826 1.00 93.54 O +HETATM 16 CB HYP A 3 3.024 -5.452 -8.150 1.00 88.66 C +HETATM 17 CG HYP A 3 3.763 -5.835 -9.404 1.00 86.70 C +HETATM 18 CD HYP A 3 2.733 -6.671 -10.161 1.00 88.93 C +HETATM 19 OD1 HYP A 3 4.854 -6.629 -9.057 1.00 89.32 O +ATOM 20 N GLY A 4 0.911 -6.431 -5.846 1.00 93.74 N +ATOM 21 CA GLY A 4 -0.249 -6.072 -5.075 1.00 92.95 C +ATOM 22 C GLY A 4 -0.491 -4.573 -5.135 1.00 93.32 C +ATOM 23 O GLY A 4 0.317 -3.815 -5.667 1.00 93.25 O +ATOM 24 N PRO A 5 -1.606 -4.131 -4.579 1.00 93.21 N +ATOM 25 CA PRO A 5 -1.942 -2.717 -4.577 1.00 92.47 C +ATOM 26 C PRO A 5 -1.039 -1.925 -3.640 1.00 92.10 C +ATOM 27 O PRO A 5 -0.407 -2.484 -2.753 1.00 90.92 O +ATOM 28 CB PRO A 5 -3.391 -2.697 -4.111 1.00 90.49 C +ATOM 29 CG PRO A 5 -3.495 -3.900 -3.240 1.00 88.49 C +ATOM 30 CD PRO A 5 -2.629 -4.927 -3.911 1.00 91.42 C +HETATM 31 N HYP A 6 -0.988 -0.600 -3.867 1.00 92.57 N +HETATM 32 CA HYP A 6 -0.247 0.262 -2.978 1.00 93.65 C +HETATM 33 C HYP A 6 -0.721 0.197 -1.544 1.00 94.09 C +HETATM 34 O HYP A 6 -1.935 -0.073 -1.305 1.00 94.87 O +HETATM 35 CB HYP A 6 -0.523 1.666 -3.560 1.00 92.20 C +HETATM 36 CG HYP A 6 -0.753 1.383 -5.017 1.00 90.86 C +HETATM 37 CD HYP A 6 -1.514 0.091 -4.988 1.00 92.15 C +HETATM 38 OD1 HYP A 6 0.488 1.204 -5.641 1.00 90.26 O +ATOM 39 N GLY A 7 0.172 0.322 -0.644 1.00 93.71 N +ATOM 40 CA GLY A 7 -0.168 0.314 0.750 1.00 93.26 C +ATOM 41 C GLY A 7 -1.041 1.509 1.090 1.00 93.90 C +ATOM 42 O GLY A 7 -1.221 2.416 0.281 1.00 93.90 O +ATOM 43 N PRO A 8 -1.598 1.515 2.285 1.00 93.80 N +ATOM 44 CA PRO A 8 -2.463 2.610 2.696 1.00 93.36 C +ATOM 45 C PRO A 8 -1.677 3.894 2.931 1.00 93.61 C +ATOM 46 O PRO A 8 -0.490 3.868 3.229 1.00 92.08 O +ATOM 47 CB PRO A 8 -3.093 2.098 3.982 1.00 91.43 C +ATOM 48 CG PRO A 8 -2.064 1.175 4.528 1.00 90.12 C +ATOM 49 CD PRO A 8 -1.464 0.508 3.318 1.00 92.57 C +HETATM 50 N HYP A 9 -2.381 5.040 2.815 1.00 92.68 N +HETATM 51 CA HYP A 9 -1.761 6.283 3.071 1.00 93.29 C +HETATM 52 C HYP A 9 -1.371 6.402 4.524 1.00 93.89 C +HETATM 53 O HYP A 9 -1.983 5.782 5.390 1.00 94.22 O +HETATM 54 CB HYP A 9 -2.884 7.326 2.837 1.00 90.80 C +HETATM 55 CG HYP A 9 -3.869 6.652 1.979 1.00 90.26 C +HETATM 56 CD HYP A 9 -3.763 5.207 2.356 1.00 92.61 C +HETATM 57 OD1 HYP A 9 -3.442 6.800 0.643 1.00 91.00 O +ATOM 58 N GLY A 10 -0.409 7.199 4.822 1.00 94.10 N +ATOM 59 CA GLY A 10 -0.126 7.533 6.194 1.00 93.05 C +ATOM 60 C GLY A 10 -1.204 8.486 6.679 1.00 93.16 C +ATOM 61 O GLY A 10 -2.344 8.443 6.229 1.00 91.28 O +ATOM 62 N ARG A 11 -0.852 9.363 7.564 1.00 93.26 N +ATOM 63 CA ARG A 11 -1.789 10.385 8.013 1.00 93.63 C +ATOM 64 C ARG A 11 -1.912 11.463 6.930 1.00 94.14 C +ATOM 65 O ARG A 11 -1.516 12.612 7.127 1.00 92.04 O +ATOM 66 CB ARG A 11 -1.311 11.000 9.325 1.00 91.44 C +ATOM 67 CG ARG A 11 -1.359 10.045 10.497 1.00 87.05 C +ATOM 68 CD ARG A 11 -0.763 10.706 11.726 1.00 82.25 C +ATOM 69 NE ARG A 11 -0.857 9.878 12.908 1.00 79.05 N +ATOM 70 CZ ARG A 11 -1.901 9.847 13.720 1.00 76.17 C +ATOM 71 NH1 ARG A 11 -2.956 10.610 13.496 1.00 73.31 N +ATOM 72 NH2 ARG A 11 -1.890 9.063 14.780 1.00 71.04 N +ATOM 73 N GLY A 12 -2.423 11.066 5.778 1.00 93.24 N +ATOM 74 CA GLY A 12 -2.468 11.936 4.619 1.00 93.58 C +ATOM 75 C GLY A 12 -1.216 11.827 3.782 1.00 94.64 C +ATOM 76 O GLY A 12 -1.066 12.531 2.788 1.00 91.83 O +ATOM 77 N GLY A 13 -0.329 10.944 4.177 1.00 95.32 N +ATOM 78 CA GLY A 13 0.901 10.731 3.456 1.00 94.80 C +ATOM 79 C GLY A 13 0.684 9.907 2.204 1.00 95.28 C +ATOM 80 O GLY A 13 -0.441 9.527 1.883 1.00 94.44 O +ATOM 81 N PRO A 14 1.752 9.618 1.483 1.00 95.53 N +ATOM 82 CA PRO A 14 1.652 8.876 0.240 1.00 95.27 C +ATOM 83 C PRO A 14 1.300 7.417 0.470 1.00 95.42 C +ATOM 84 O PRO A 14 1.537 6.863 1.537 1.00 94.53 O +ATOM 85 CB PRO A 14 3.047 9.013 -0.379 1.00 93.90 C +ATOM 86 CG PRO A 14 3.934 9.146 0.811 1.00 91.96 C +ATOM 87 CD PRO A 14 3.140 9.966 1.790 1.00 93.23 C +HETATM 88 N HYP A 15 0.719 6.832 -0.546 1.00 93.78 N +HETATM 89 CA HYP A 15 0.473 5.421 -0.508 1.00 94.75 C +HETATM 90 C HYP A 15 1.732 4.625 -0.332 1.00 95.05 C +HETATM 91 O HYP A 15 2.816 5.083 -0.771 1.00 94.76 O +HETATM 92 CB HYP A 15 -0.162 5.162 -1.893 1.00 92.17 C +HETATM 93 CG HYP A 15 -0.808 6.481 -2.251 1.00 89.54 C +HETATM 94 CD HYP A 15 0.184 7.487 -1.724 1.00 92.97 C +HETATM 95 OD1 HYP A 15 -2.035 6.589 -1.610 1.00 91.41 O +ATOM 96 N GLY A 16 1.631 3.484 0.261 1.00 95.74 N +ATOM 97 CA GLY A 16 2.761 2.610 0.392 1.00 95.39 C +ATOM 98 C GLY A 16 3.143 2.026 -0.952 1.00 95.43 C +ATOM 99 O GLY A 16 2.459 2.234 -1.955 1.00 95.01 O +ATOM 100 N PRO A 17 4.245 1.295 -0.983 1.00 95.02 N +ATOM 101 CA PRO A 17 4.697 0.685 -2.229 1.00 94.36 C +ATOM 102 C PRO A 17 3.788 -0.452 -2.664 1.00 94.52 C +ATOM 103 O PRO A 17 3.020 -0.984 -1.867 1.00 93.45 O +ATOM 104 CB PRO A 17 6.099 0.192 -1.890 1.00 92.90 C +ATOM 105 CG PRO A 17 6.030 -0.075 -0.428 1.00 90.90 C +ATOM 106 CD PRO A 17 5.132 0.990 0.124 1.00 92.82 C +HETATM 107 N HYP A 18 3.866 -0.805 -3.958 1.00 92.95 N +HETATM 108 CA HYP A 18 3.145 -1.933 -4.428 1.00 94.07 C +HETATM 109 C HYP A 18 3.481 -3.199 -3.707 1.00 94.45 C +HETATM 110 O HYP A 18 4.636 -3.374 -3.261 1.00 93.92 O +HETATM 111 CB HYP A 18 3.539 -2.003 -5.915 1.00 91.45 C +HETATM 112 CG HYP A 18 3.838 -0.566 -6.260 1.00 90.42 C +HETATM 113 CD HYP A 18 4.505 -0.066 -5.002 1.00 93.02 C +HETATM 114 OD1 HYP A 18 2.627 0.119 -6.468 1.00 89.83 O +ATOM 115 N GLY A 19 2.526 -4.035 -3.547 1.00 93.62 N +ATOM 116 CA GLY A 19 2.743 -5.298 -2.898 1.00 93.36 C +ATOM 117 C GLY A 19 3.631 -6.191 -3.734 1.00 93.52 C +ATOM 118 O GLY A 19 3.967 -5.872 -4.876 1.00 93.59 O +ATOM 119 N PRO A 20 4.017 -7.324 -3.178 1.00 92.51 N +ATOM 120 CA PRO A 20 4.860 -8.256 -3.904 1.00 91.88 C +ATOM 121 C PRO A 20 4.099 -8.930 -5.031 1.00 91.81 C +ATOM 122 O PRO A 20 2.871 -8.900 -5.063 1.00 91.46 O +ATOM 123 CB PRO A 20 5.272 -9.259 -2.833 1.00 89.80 C +ATOM 124 CG PRO A 20 4.124 -9.246 -1.883 1.00 86.85 C +ATOM 125 CD PRO A 20 3.670 -7.817 -1.855 1.00 89.56 C +HETATM 126 N HYP A 21 4.855 -9.519 -5.976 1.00 90.66 N +HETATM 127 CA HYP A 21 4.217 -10.261 -7.003 1.00 92.49 C +HETATM 128 C HYP A 21 3.311 -11.354 -6.493 1.00 91.69 C +HETATM 129 O HYP A 21 3.666 -11.980 -5.481 1.00 93.12 O +HETATM 130 CB HYP A 21 5.346 -10.836 -7.831 1.00 90.36 C +HETATM 131 CG HYP A 21 6.468 -9.874 -7.611 1.00 87.63 C +HETATM 132 CD HYP A 21 6.281 -9.464 -6.169 1.00 91.13 C +HETATM 133 OD1 HYP A 21 6.295 -8.753 -8.448 1.00 88.67 O +ATOM 134 N GLY A 22 2.181 -11.497 -7.104 1.00 91.94 N +ATOM 135 CA GLY A 22 1.257 -12.517 -6.717 1.00 90.58 C +ATOM 136 C GLY A 22 1.799 -13.888 -7.079 1.00 90.90 C +ATOM 137 O GLY A 22 2.818 -14.002 -7.760 1.00 90.19 O +ATOM 138 N PRO A 23 1.115 -14.945 -6.664 1.00 93.73 N +ATOM 139 CA PRO A 23 1.538 -16.294 -7.001 1.00 93.48 C +ATOM 140 C PRO A 23 1.261 -16.574 -8.467 1.00 92.34 C +ATOM 141 O PRO A 23 0.108 -16.730 -8.859 1.00 90.10 O +ATOM 142 CB PRO A 23 0.693 -17.169 -6.080 1.00 91.13 C +ATOM 143 CG PRO A 23 -0.536 -16.359 -5.855 1.00 87.66 C +ATOM 144 CD PRO A 23 -0.078 -14.923 -5.851 1.00 91.33 C +HETATM 145 N HYP A 24 2.161 -16.505 -9.301 1.00 93.39 N +HETATM 146 CA HYP A 24 2.096 -16.228 -10.732 1.00 89.91 C +HETATM 147 C HYP A 24 1.347 -15.193 -11.239 1.00 92.66 C +HETATM 148 O HYP A 24 1.528 -14.635 -12.396 1.00 90.92 O +HETATM 149 CB HYP A 24 2.942 -17.148 -11.451 1.00 89.01 C +HETATM 150 CG HYP A 24 3.373 -18.161 -10.396 1.00 85.46 C +HETATM 151 CD HYP A 24 2.668 -17.776 -9.097 1.00 90.19 C +HETATM 152 OD1 HYP A 24 4.762 -18.044 -10.161 1.00 90.46 O +HETATM 153 OXT HYP A 24 0.056 -15.327 -11.207 1.00 88.64 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_399.txt b/protein_pdb_399.txt new file mode 100644 index 0000000000000000000000000000000000000000..11ccdeebd6ecc42ac23c0b576829d05809ad5f53 --- /dev/null +++ b/protein_pdb_399.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 15.232 -1.550 1.416 1.00 91.03 N +ATOM 2 CA GLY A 1 14.498 -0.668 0.554 1.00 92.54 C +ATOM 3 C GLY A 1 13.405 0.067 1.287 1.00 93.34 C +ATOM 4 O GLY A 1 13.061 -0.272 2.412 1.00 92.14 O +ATOM 5 N PRO A 2 12.863 0.993 0.682 1.00 93.93 N +ATOM 6 CA PRO A 2 11.810 1.775 1.300 1.00 94.48 C +ATOM 7 C PRO A 2 10.491 1.026 1.315 1.00 94.43 C +ATOM 8 O PRO A 2 10.323 0.013 0.639 1.00 93.41 O +ATOM 9 CB PRO A 2 11.733 3.007 0.400 1.00 92.22 C +ATOM 10 CG PRO A 2 12.140 2.493 -0.933 1.00 89.28 C +ATOM 11 CD PRO A 2 13.198 1.457 -0.664 1.00 92.21 C +HETATM 12 N HYP A 3 9.584 1.548 2.105 1.00 93.96 N +HETATM 13 CA HYP A 3 8.243 0.969 2.131 1.00 92.29 C +HETATM 14 C HYP A 3 7.572 1.048 0.778 1.00 95.88 C +HETATM 15 O HYP A 3 7.797 2.012 0.021 1.00 94.85 O +HETATM 16 CB HYP A 3 7.482 1.909 3.128 1.00 92.35 C +HETATM 17 CG HYP A 3 8.581 2.469 4.040 1.00 89.54 C +HETATM 18 CD HYP A 3 9.767 2.637 3.033 1.00 92.37 C +HETATM 19 OD1 HYP A 3 8.918 1.460 4.956 1.00 91.57 O +ATOM 20 N GLY A 4 6.839 0.005 0.475 1.00 95.32 N +ATOM 21 CA GLY A 4 6.091 -0.000 -0.757 1.00 95.08 C +ATOM 22 C GLY A 4 4.968 1.026 -0.728 1.00 95.62 C +ATOM 23 O GLY A 4 4.633 1.582 0.316 1.00 95.81 O +ATOM 24 N PRO A 5 4.383 1.282 -1.880 1.00 95.21 N +ATOM 25 CA PRO A 5 3.293 2.242 -1.955 1.00 95.26 C +ATOM 26 C PRO A 5 2.038 1.703 -1.292 1.00 95.01 C +ATOM 27 O PRO A 5 1.903 0.509 -1.052 1.00 94.31 O +ATOM 28 CB PRO A 5 3.091 2.426 -3.459 1.00 94.08 C +ATOM 29 CG PRO A 5 3.524 1.125 -4.034 1.00 92.38 C +ATOM 30 CD PRO A 5 4.660 0.663 -3.170 1.00 94.50 C +HETATM 31 N HYP A 6 1.125 2.644 -0.987 1.00 93.66 N +HETATM 32 CA HYP A 6 -0.145 2.211 -0.461 1.00 95.29 C +HETATM 33 C HYP A 6 -0.846 1.288 -1.390 1.00 95.37 C +HETATM 34 O HYP A 6 -0.700 1.409 -2.633 1.00 94.21 O +HETATM 35 CB HYP A 6 -0.925 3.549 -0.321 1.00 90.73 C +HETATM 36 CG HYP A 6 0.155 4.582 -0.167 1.00 91.01 C +HETATM 37 CD HYP A 6 1.233 4.069 -1.098 1.00 92.23 C +HETATM 38 OD1 HYP A 6 0.638 4.562 1.166 1.00 90.49 O +ATOM 39 N GLY A 7 -1.527 0.329 -0.833 1.00 94.72 N +ATOM 40 CA GLY A 7 -2.304 -0.577 -1.633 1.00 94.59 C +ATOM 41 C GLY A 7 -3.398 0.159 -2.385 1.00 95.14 C +ATOM 42 O GLY A 7 -3.743 1.296 -2.069 1.00 95.04 O +ATOM 43 N PRO A 8 -3.941 -0.492 -3.393 1.00 95.90 N +ATOM 44 CA PRO A 8 -4.994 0.141 -4.169 1.00 96.09 C +ATOM 45 C PRO A 8 -6.280 0.257 -3.370 1.00 96.01 C +ATOM 46 O PRO A 8 -6.493 -0.467 -2.408 1.00 95.29 O +ATOM 47 CB PRO A 8 -5.165 -0.790 -5.366 1.00 94.90 C +ATOM 48 CG PRO A 8 -4.757 -2.114 -4.837 1.00 93.35 C +ATOM 49 CD PRO A 8 -3.647 -1.838 -3.860 1.00 95.23 C +HETATM 50 N HYP A 9 -7.127 1.181 -3.798 1.00 94.35 N +HETATM 51 CA HYP A 9 -8.398 1.298 -3.184 1.00 94.45 C +HETATM 52 C HYP A 9 -9.212 0.059 -3.380 1.00 94.95 C +HETATM 53 O HYP A 9 -9.218 -0.511 -4.474 1.00 94.87 O +HETATM 54 CB HYP A 9 -9.053 2.483 -3.964 1.00 91.61 C +HETATM 55 CG HYP A 9 -7.913 3.237 -4.561 1.00 89.80 C +HETATM 56 CD HYP A 9 -6.916 2.187 -4.851 1.00 93.48 C +HETATM 57 OD1 HYP A 9 -7.366 4.105 -3.599 1.00 91.27 O +ATOM 58 N GLY A 10 -9.839 -0.471 -2.368 1.00 94.60 N +ATOM 59 CA GLY A 10 -10.774 -1.554 -2.517 1.00 93.87 C +ATOM 60 C GLY A 10 -12.053 -1.062 -3.163 1.00 94.80 C +ATOM 61 O GLY A 10 -12.251 0.137 -3.350 1.00 94.47 O +ATOM 62 N PRO A 11 -12.949 -1.985 -3.497 1.00 95.10 N +ATOM 63 CA PRO A 11 -14.225 -1.540 -4.062 1.00 95.23 C +ATOM 64 C PRO A 11 -14.981 -0.599 -3.139 1.00 95.24 C +ATOM 65 O PRO A 11 -15.680 0.303 -3.611 1.00 93.62 O +ATOM 66 CB PRO A 11 -14.995 -2.842 -4.270 1.00 94.21 C +ATOM 67 CG PRO A 11 -13.933 -3.883 -4.378 1.00 93.26 C +ATOM 68 CD PRO A 11 -12.833 -3.435 -3.466 1.00 94.29 C +ATOM 69 N TRP A 12 -14.820 -0.812 -1.840 1.00 94.56 N +ATOM 70 CA TRP A 12 -15.514 -0.005 -0.847 1.00 94.27 C +ATOM 71 C TRP A 12 -14.599 0.481 0.262 1.00 93.62 C +ATOM 72 O TRP A 12 -14.859 1.526 0.853 1.00 92.23 O +ATOM 73 CB TRP A 12 -16.660 -0.812 -0.239 1.00 93.53 C +ATOM 74 CG TRP A 12 -17.619 -1.344 -1.270 1.00 90.27 C +ATOM 75 CD1 TRP A 12 -18.608 -0.651 -1.890 1.00 89.39 C +ATOM 76 CD2 TRP A 12 -17.651 -2.664 -1.821 1.00 90.47 C +ATOM 77 NE1 TRP A 12 -19.268 -1.451 -2.793 1.00 85.88 N +ATOM 78 CE2 TRP A 12 -18.696 -2.699 -2.772 1.00 89.70 C +ATOM 79 CE3 TRP A 12 -16.896 -3.823 -1.612 1.00 87.68 C +ATOM 80 CZ2 TRP A 12 -19.003 -3.836 -3.504 1.00 89.97 C +ATOM 81 CZ3 TRP A 12 -17.202 -4.962 -2.332 1.00 84.71 C +ATOM 82 CH2 TRP A 12 -18.244 -4.961 -3.269 1.00 83.95 C +ATOM 83 N GLY A 13 -13.571 -0.275 0.565 1.00 95.14 N +ATOM 84 CA GLY A 13 -12.707 0.038 1.674 1.00 94.63 C +ATOM 85 C GLY A 13 -11.646 1.067 1.353 1.00 95.40 C +ATOM 86 O GLY A 13 -11.485 1.493 0.212 1.00 95.38 O +ATOM 87 N PRO A 14 -10.897 1.463 2.373 1.00 96.00 N +ATOM 88 CA PRO A 14 -9.826 2.433 2.199 1.00 95.97 C +ATOM 89 C PRO A 14 -8.620 1.822 1.499 1.00 96.02 C +ATOM 90 O PRO A 14 -8.529 0.604 1.340 1.00 95.20 O +ATOM 91 CB PRO A 14 -9.484 2.832 3.629 1.00 94.90 C +ATOM 92 CG PRO A 14 -9.786 1.608 4.424 1.00 93.52 C +ATOM 93 CD PRO A 14 -10.992 0.996 3.760 1.00 94.87 C +HETATM 94 N HYP A 15 -7.691 2.714 1.126 1.00 95.15 N +HETATM 95 CA HYP A 15 -6.457 2.231 0.535 1.00 95.68 C +HETATM 96 C HYP A 15 -5.725 1.311 1.471 1.00 96.19 C +HETATM 97 O HYP A 15 -5.834 1.474 2.720 1.00 94.90 O +HETATM 98 CB HYP A 15 -5.693 3.539 0.296 1.00 92.46 C +HETATM 99 CG HYP A 15 -6.793 4.586 0.150 1.00 90.80 C +HETATM 100 CD HYP A 15 -7.797 4.158 1.187 1.00 93.90 C +HETATM 101 OD1 HYP A 15 -7.359 4.520 -1.121 1.00 91.85 O +ATOM 102 N GLY A 16 -5.045 0.347 0.934 1.00 95.64 N +ATOM 103 CA GLY A 16 -4.250 -0.536 1.743 1.00 95.47 C +ATOM 104 C GLY A 16 -3.090 0.198 2.390 1.00 96.04 C +ATOM 105 O GLY A 16 -2.734 1.306 1.987 1.00 95.75 O +ATOM 106 N PRO A 17 -2.493 -0.428 3.388 1.00 93.63 N +ATOM 107 CA PRO A 17 -1.345 0.176 4.052 1.00 93.67 C +ATOM 108 C PRO A 17 -0.117 0.145 3.158 1.00 93.81 C +ATOM 109 O PRO A 17 -0.073 -0.561 2.160 1.00 93.14 O +ATOM 110 CB PRO A 17 -1.150 -0.699 5.290 1.00 92.37 C +ATOM 111 CG PRO A 17 -1.669 -2.028 4.856 1.00 90.32 C +ATOM 112 CD PRO A 17 -2.821 -1.740 3.940 1.00 92.16 C +HETATM 113 N HYP A 18 0.875 0.964 3.549 1.00 92.48 N +HETATM 114 CA HYP A 18 2.109 0.893 2.840 1.00 91.77 C +HETATM 115 C HYP A 18 2.678 -0.489 2.840 1.00 93.57 C +HETATM 116 O HYP A 18 2.502 -1.236 3.820 1.00 93.23 O +HETATM 117 CB HYP A 18 3.004 1.865 3.625 1.00 88.91 C +HETATM 118 CG HYP A 18 2.054 2.837 4.265 1.00 88.83 C +HETATM 119 CD HYP A 18 0.888 1.932 4.607 1.00 92.27 C +HETATM 120 OD1 HYP A 18 1.621 3.800 3.312 1.00 89.65 O +ATOM 121 N GLY A 19 3.294 -0.860 1.746 1.00 92.63 N +ATOM 122 CA GLY A 19 3.944 -2.140 1.660 1.00 92.68 C +ATOM 123 C GLY A 19 5.102 -2.239 2.630 1.00 93.34 C +ATOM 124 O GLY A 19 5.568 -1.236 3.173 1.00 94.38 O +ATOM 125 N PRO A 20 5.582 -3.449 2.856 1.00 92.01 N +ATOM 126 CA PRO A 20 6.704 -3.631 3.756 1.00 92.67 C +ATOM 127 C PRO A 20 7.992 -3.096 3.150 1.00 92.41 C +ATOM 128 O PRO A 20 8.087 -2.890 1.947 1.00 92.90 O +ATOM 129 CB PRO A 20 6.759 -5.146 3.939 1.00 90.96 C +ATOM 130 CG PRO A 20 6.198 -5.674 2.672 1.00 88.43 C +ATOM 131 CD PRO A 20 5.129 -4.704 2.264 1.00 91.16 C +HETATM 132 N HYP A 21 8.946 -2.868 4.024 1.00 92.45 N +HETATM 133 CA HYP A 21 10.236 -2.469 3.528 1.00 93.57 C +HETATM 134 C HYP A 21 10.832 -3.454 2.559 1.00 93.98 C +HETATM 135 O HYP A 21 10.648 -4.651 2.740 1.00 94.82 O +HETATM 136 CB HYP A 21 11.096 -2.343 4.790 1.00 90.61 C +HETATM 137 CG HYP A 21 10.120 -2.122 5.918 1.00 89.14 C +HETATM 138 CD HYP A 21 8.921 -2.943 5.476 1.00 92.03 C +HETATM 139 OD1 HYP A 21 9.733 -0.748 5.933 1.00 87.90 O +ATOM 140 N GLY A 22 11.439 -2.969 1.526 1.00 93.22 N +ATOM 141 CA GLY A 22 12.125 -3.821 0.600 1.00 92.16 C +ATOM 142 C GLY A 22 13.384 -4.399 1.233 1.00 92.43 C +ATOM 143 O GLY A 22 13.770 -4.030 2.338 1.00 92.89 O +ATOM 144 N PRO A 23 14.060 -5.307 0.536 1.00 93.42 N +ATOM 145 CA PRO A 23 15.303 -5.852 1.063 1.00 92.46 C +ATOM 146 C PRO A 23 16.356 -4.761 1.114 1.00 90.10 C +ATOM 147 O PRO A 23 16.625 -4.110 0.105 1.00 86.01 O +ATOM 148 CB PRO A 23 15.656 -6.951 0.068 1.00 90.26 C +ATOM 149 CG PRO A 23 14.977 -6.550 -1.187 1.00 88.10 C +ATOM 150 CD PRO A 23 13.724 -5.832 -0.774 1.00 91.73 C +HETATM 151 N HYP A 24 16.851 -4.460 2.217 1.00 94.87 N +HETATM 152 CA HYP A 24 17.725 -3.205 2.306 1.00 89.30 C +HETATM 153 C HYP A 24 16.940 -1.964 2.162 1.00 93.97 C +HETATM 154 O HYP A 24 17.467 -0.975 1.526 1.00 90.70 O +HETATM 155 CB HYP A 24 18.233 -3.335 3.749 1.00 89.66 C +HETATM 156 CG HYP A 24 18.169 -4.825 4.122 1.00 90.31 C +HETATM 157 CD HYP A 24 17.072 -5.398 3.256 1.00 92.05 C +HETATM 158 OD1 HYP A 24 19.341 -5.467 3.749 1.00 87.68 O +HETATM 159 OXT HYP A 24 15.932 -1.614 2.977 1.00 86.36 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_4.txt b/protein_pdb_4.txt new file mode 100644 index 0000000000000000000000000000000000000000..c8298bb7383ed4a89aaa958255aa7d61dce185b8 --- /dev/null +++ b/protein_pdb_4.txt @@ -0,0 +1,209 @@ +ATOM 1 N GLY A 1 44.068 -14.931 -12.389 1.00 80.82 N +ATOM 2 CA GLY A 1 43.740 -13.505 -12.440 1.00 83.50 C +ATOM 3 C GLY A 1 42.896 -13.093 -11.257 1.00 84.11 C +ATOM 4 O GLY A 1 42.463 -13.943 -10.479 1.00 78.95 O +ATOM 5 N PRO A 2 42.603 -11.792 -11.095 1.00 83.83 N +ATOM 6 CA PRO A 2 41.783 -11.316 -9.982 1.00 85.65 C +ATOM 7 C PRO A 2 40.321 -11.716 -10.157 1.00 85.40 C +ATOM 8 O PRO A 2 39.868 -11.966 -11.271 1.00 80.73 O +ATOM 9 CB PRO A 2 41.945 -9.801 -10.019 1.00 79.44 C +ATOM 10 CG PRO A 2 42.221 -9.518 -11.450 1.00 76.09 C +ATOM 11 CD PRO A 2 43.031 -10.690 -11.951 1.00 78.21 C +HETATM 12 N HYP A 3 39.622 -11.783 -9.100 1.00 83.89 N +HETATM 13 CA HYP A 3 38.193 -12.035 -9.086 1.00 81.98 C +HETATM 14 C HYP A 3 37.404 -10.988 -9.915 1.00 79.85 C +HETATM 15 O HYP A 3 37.769 -9.788 -9.957 1.00 88.07 O +HETATM 16 CB HYP A 3 37.795 -11.981 -7.633 1.00 78.49 C +HETATM 17 CG HYP A 3 39.073 -12.231 -6.886 1.00 73.91 C +HETATM 18 CD HYP A 3 40.149 -11.598 -7.780 1.00 82.43 C +HETATM 19 OD1 HYP A 3 39.337 -13.600 -6.749 1.00 86.29 O +ATOM 20 N GLY A 4 36.323 -11.457 -10.537 1.00 88.41 N +ATOM 21 CA GLY A 4 35.485 -10.561 -11.293 1.00 86.15 C +ATOM 22 C GLY A 4 34.662 -9.668 -10.373 1.00 86.93 C +ATOM 23 O GLY A 4 34.607 -9.887 -9.155 1.00 85.16 O +ATOM 24 N PRO A 5 33.995 -8.649 -10.926 1.00 92.10 N +ATOM 25 CA PRO A 5 33.185 -7.746 -10.113 1.00 91.59 C +ATOM 26 C PRO A 5 31.925 -8.435 -9.602 1.00 91.91 C +ATOM 27 O PRO A 5 31.458 -9.413 -10.179 1.00 90.03 O +ATOM 28 CB PRO A 5 32.852 -6.600 -11.072 1.00 87.54 C +ATOM 29 CG PRO A 5 32.863 -7.259 -12.413 1.00 85.21 C +ATOM 30 CD PRO A 5 33.963 -8.291 -12.333 1.00 89.35 C +HETATM 31 N HYP A 6 31.372 -7.915 -8.532 1.00 92.97 N +HETATM 32 CA HYP A 6 30.087 -8.410 -8.013 1.00 92.55 C +HETATM 33 C HYP A 6 28.960 -8.267 -9.008 1.00 89.67 C +HETATM 34 O HYP A 6 28.953 -7.329 -9.828 1.00 91.19 O +HETATM 35 CB HYP A 6 29.843 -7.564 -6.742 1.00 85.57 C +HETATM 36 CG HYP A 6 31.215 -7.108 -6.303 1.00 82.84 C +HETATM 37 CD HYP A 6 31.947 -6.926 -7.647 1.00 91.96 C +HETATM 38 OD1 HYP A 6 31.846 -8.084 -5.537 1.00 88.76 O +ATOM 39 N GLY A 7 27.997 -9.190 -8.959 1.00 91.32 N +ATOM 40 CA GLY A 7 26.859 -9.137 -9.845 1.00 90.05 C +ATOM 41 C GLY A 7 25.938 -7.978 -9.494 1.00 90.80 C +ATOM 42 O GLY A 7 26.104 -7.313 -8.469 1.00 90.44 O +ATOM 43 N PRO A 8 24.944 -7.724 -10.344 1.00 92.82 N +ATOM 44 CA PRO A 8 24.012 -6.622 -10.091 1.00 92.29 C +ATOM 45 C PRO A 8 23.086 -6.925 -8.923 1.00 92.93 C +ATOM 46 O PRO A 8 22.861 -8.078 -8.573 1.00 91.53 O +ATOM 47 CB PRO A 8 23.241 -6.505 -11.399 1.00 89.70 C +ATOM 48 CG PRO A 8 23.277 -7.889 -11.952 1.00 88.66 C +ATOM 49 CD PRO A 8 24.630 -8.434 -11.570 1.00 91.71 C +HETATM 50 N HYP A 9 22.517 -5.893 -8.317 1.00 92.78 N +HETATM 51 CA HYP A 9 21.520 -6.047 -7.270 1.00 91.66 C +HETATM 52 C HYP A 9 20.282 -6.767 -7.758 1.00 88.15 C +HETATM 53 O HYP A 9 19.937 -6.665 -8.931 1.00 90.19 O +HETATM 54 CB HYP A 9 21.166 -4.580 -6.867 1.00 83.35 C +HETATM 55 CG HYP A 9 22.358 -3.775 -7.242 1.00 79.78 C +HETATM 56 CD HYP A 9 22.864 -4.509 -8.506 1.00 88.07 C +HETATM 57 OD1 HYP A 9 23.372 -3.833 -6.244 1.00 88.21 O +ATOM 58 N GLY A 10 19.615 -7.501 -6.863 1.00 91.74 N +ATOM 59 CA GLY A 10 18.401 -8.199 -7.221 1.00 90.08 C +ATOM 60 C GLY A 10 17.268 -7.232 -7.517 1.00 91.04 C +ATOM 61 O GLY A 10 17.371 -6.031 -7.262 1.00 91.35 O +ATOM 62 N PRO A 11 16.152 -7.748 -8.058 1.00 89.03 N +ATOM 63 CA PRO A 11 15.011 -6.888 -8.376 1.00 88.59 C +ATOM 64 C PRO A 11 14.311 -6.393 -7.121 1.00 88.32 C +ATOM 65 O PRO A 11 14.354 -7.031 -6.072 1.00 86.44 O +ATOM 66 CB PRO A 11 14.103 -7.793 -9.202 1.00 86.03 C +ATOM 67 CG PRO A 11 14.418 -9.161 -8.697 1.00 86.20 C +ATOM 68 CD PRO A 11 15.899 -9.137 -8.398 1.00 89.29 C +HETATM 69 N HYP A 12 13.640 -5.278 -7.193 1.00 87.66 N +HETATM 70 CA HYP A 12 12.854 -4.720 -6.107 1.00 84.96 C +HETATM 71 C HYP A 12 11.714 -5.629 -5.702 1.00 77.46 C +HETATM 72 O HYP A 12 11.165 -6.327 -6.560 1.00 81.50 O +HETATM 73 CB HYP A 12 12.270 -3.389 -6.675 1.00 79.96 C +HETATM 74 CG HYP A 12 13.209 -2.993 -7.759 1.00 79.46 C +HETATM 75 CD HYP A 12 13.677 -4.357 -8.303 1.00 83.44 C +HETATM 76 OD1 HYP A 12 14.325 -2.296 -7.237 1.00 81.99 O +ATOM 77 N GLY A 13 11.358 -5.634 -4.438 1.00 91.18 N +ATOM 78 CA GLY A 13 10.231 -6.412 -3.980 1.00 88.73 C +ATOM 79 C GLY A 13 8.930 -5.896 -4.574 1.00 88.34 C +ATOM 80 O GLY A 13 8.836 -4.753 -5.023 1.00 87.40 O +ATOM 81 N ALA A 14 7.903 -6.757 -4.552 1.00 86.48 N +ATOM 82 CA ALA A 14 6.602 -6.376 -5.079 1.00 85.63 C +ATOM 83 C ALA A 14 5.977 -5.272 -4.235 1.00 83.98 C +ATOM 84 O ALA A 14 6.105 -5.257 -3.011 1.00 79.23 O +ATOM 85 CB ALA A 14 5.678 -7.585 -5.110 1.00 82.63 C +ATOM 86 N LYS A 15 5.288 -4.332 -4.893 1.00 85.93 N +ATOM 87 CA LYS A 15 4.604 -3.248 -4.177 1.00 86.22 C +ATOM 88 C LYS A 15 3.385 -3.822 -3.456 1.00 84.22 C +ATOM 89 O LYS A 15 2.658 -4.646 -4.001 1.00 79.32 O +ATOM 90 CB LYS A 15 4.190 -2.149 -5.161 1.00 80.07 C +ATOM 91 CG LYS A 15 3.544 -0.947 -4.486 1.00 74.52 C +ATOM 92 CD LYS A 15 3.223 0.150 -5.474 1.00 71.57 C +ATOM 93 CE LYS A 15 2.434 1.280 -4.824 1.00 65.88 C +ATOM 94 NZ LYS A 15 3.188 2.521 -4.765 1.00 62.78 N +ATOM 95 N GLY A 16 3.179 -3.378 -2.215 1.00 84.57 N +ATOM 96 CA GLY A 16 2.036 -3.849 -1.449 1.00 82.08 C +ATOM 97 C GLY A 16 0.717 -3.380 -2.040 1.00 81.70 C +ATOM 98 O GLY A 16 0.658 -2.381 -2.755 1.00 80.70 O +ATOM 99 N ASP A 17 -0.349 -4.108 -1.737 1.00 85.20 N +ATOM 100 CA ASP A 17 -1.680 -3.745 -2.206 1.00 86.50 C +ATOM 101 C ASP A 17 -2.172 -2.489 -1.509 1.00 87.21 C +ATOM 102 O ASP A 17 -1.801 -2.213 -0.363 1.00 83.07 O +ATOM 103 CB ASP A 17 -2.669 -4.881 -1.959 1.00 80.58 C +ATOM 104 CG ASP A 17 -2.367 -6.128 -2.752 1.00 75.15 C +ATOM 105 OD1 ASP A 17 -1.761 -6.032 -3.833 1.00 71.18 O +ATOM 106 OD2 ASP A 17 -2.753 -7.229 -2.288 1.00 69.22 O +ATOM 107 N ALA A 18 -3.024 -1.724 -2.185 1.00 82.55 N +ATOM 108 CA ALA A 18 -3.628 -0.549 -1.572 1.00 84.72 C +ATOM 109 C ALA A 18 -4.547 -0.980 -0.430 1.00 85.27 C +ATOM 110 O ALA A 18 -5.148 -2.053 -0.471 1.00 80.06 O +ATOM 111 CB ALA A 18 -4.418 0.243 -2.614 1.00 81.16 C +ATOM 112 N GLY A 19 -4.649 -0.134 0.590 1.00 85.75 N +ATOM 113 CA GLY A 19 -5.518 -0.429 1.712 1.00 84.76 C +ATOM 114 C GLY A 19 -6.982 -0.416 1.310 1.00 86.03 C +ATOM 115 O GLY A 19 -7.342 0.091 0.248 1.00 86.16 O +ATOM 116 N PRO A 20 -7.867 -0.961 2.166 1.00 88.04 N +ATOM 117 CA PRO A 20 -9.294 -0.995 1.857 1.00 88.76 C +ATOM 118 C PRO A 20 -9.918 0.389 1.941 1.00 89.12 C +ATOM 119 O PRO A 20 -9.389 1.283 2.589 1.00 87.29 O +ATOM 120 CB PRO A 20 -9.875 -1.931 2.924 1.00 85.52 C +ATOM 121 CG PRO A 20 -8.953 -1.759 4.078 1.00 84.40 C +ATOM 122 CD PRO A 20 -7.579 -1.581 3.469 1.00 86.95 C +HETATM 123 N HYP A 21 -11.052 0.596 1.305 1.00 83.29 N +HETATM 124 CA HYP A 21 -11.817 1.801 1.379 1.00 82.28 C +HETATM 125 C HYP A 21 -12.213 2.143 2.809 1.00 82.68 C +HETATM 126 O HYP A 21 -12.365 1.220 3.627 1.00 81.94 O +HETATM 127 CB HYP A 21 -13.019 1.511 0.520 1.00 78.26 C +HETATM 128 CG HYP A 21 -12.538 0.462 -0.450 1.00 78.37 C +HETATM 129 CD HYP A 21 -11.605 -0.334 0.377 1.00 84.30 C +HETATM 130 OD1 HYP A 21 -11.848 1.042 -1.538 1.00 82.72 O +ATOM 131 N GLY A 22 -12.356 3.372 3.129 1.00 88.83 N +ATOM 132 CA GLY A 22 -12.790 3.767 4.441 1.00 86.65 C +ATOM 133 C GLY A 22 -14.234 3.350 4.696 1.00 87.93 C +ATOM 134 O GLY A 22 -14.944 2.936 3.772 1.00 88.31 O +ATOM 135 N PRO A 23 -14.697 3.474 5.945 1.00 89.23 N +ATOM 136 CA PRO A 23 -16.064 3.084 6.281 1.00 88.57 C +ATOM 137 C PRO A 23 -17.082 4.050 5.692 1.00 89.22 C +ATOM 138 O PRO A 23 -16.771 5.202 5.405 1.00 87.86 O +ATOM 139 CB PRO A 23 -16.076 3.118 7.810 1.00 85.37 C +ATOM 140 CG PRO A 23 -15.048 4.137 8.152 1.00 84.96 C +ATOM 141 CD PRO A 23 -13.965 3.967 7.114 1.00 87.38 C +HETATM 142 N HYP A 24 -18.314 3.627 5.534 1.00 87.89 N +HETATM 143 CA HYP A 24 -19.402 4.463 5.098 1.00 89.55 C +HETATM 144 C HYP A 24 -19.634 5.642 6.056 1.00 89.97 C +HETATM 145 O HYP A 24 -19.377 5.499 7.250 1.00 89.83 O +HETATM 146 CB HYP A 24 -20.606 3.507 5.114 1.00 86.75 C +HETATM 147 CG HYP A 24 -20.033 2.142 4.924 1.00 83.29 C +HETATM 148 CD HYP A 24 -18.712 2.252 5.647 1.00 88.37 C +HETATM 149 OD1 HYP A 24 -19.800 1.847 3.574 1.00 87.26 O +ATOM 150 N GLY A 25 -20.111 6.728 5.543 1.00 87.43 N +ATOM 151 CA GLY A 25 -20.414 7.863 6.371 1.00 85.59 C +ATOM 152 C GLY A 25 -21.568 7.562 7.312 1.00 86.52 C +ATOM 153 O GLY A 25 -22.261 6.546 7.164 1.00 86.43 O +ATOM 154 N PRO A 26 -21.824 8.450 8.277 1.00 87.12 N +ATOM 155 CA PRO A 26 -22.904 8.235 9.231 1.00 86.19 C +ATOM 156 C PRO A 26 -24.271 8.398 8.576 1.00 86.61 C +ATOM 157 O PRO A 26 -24.405 9.071 7.561 1.00 85.62 O +ATOM 158 CB PRO A 26 -22.661 9.304 10.290 1.00 82.25 C +ATOM 159 CG PRO A 26 -21.975 10.392 9.541 1.00 81.14 C +ATOM 160 CD PRO A 26 -21.095 9.691 8.539 1.00 84.12 C +HETATM 161 N HYP A 27 -25.306 7.815 9.157 1.00 89.68 N +HETATM 162 CA HYP A 27 -26.661 7.984 8.686 1.00 88.17 C +HETATM 163 C HYP A 27 -27.088 9.448 8.699 1.00 89.38 C +HETATM 164 O HYP A 27 -26.626 10.218 9.534 1.00 90.12 O +HETATM 165 CB HYP A 27 -27.470 7.141 9.670 1.00 89.19 C +HETATM 166 CG HYP A 27 -26.537 6.109 10.218 1.00 85.15 C +HETATM 167 CD HYP A 27 -25.209 6.855 10.222 1.00 89.74 C +HETATM 168 OD1 HYP A 27 -26.429 5.006 9.347 1.00 87.73 O +ATOM 169 N GLY A 28 -27.955 9.812 7.791 1.00 86.44 N +ATOM 170 CA GLY A 28 -28.481 11.147 7.764 1.00 84.47 C +ATOM 171 C GLY A 28 -29.352 11.417 8.983 1.00 84.61 C +ATOM 172 O GLY A 28 -29.682 10.507 9.741 1.00 83.87 O +ATOM 173 N PRO A 29 -29.760 12.678 9.169 1.00 90.92 N +ATOM 174 CA PRO A 29 -30.588 13.032 10.321 1.00 90.15 C +ATOM 175 C PRO A 29 -31.993 12.453 10.191 1.00 90.74 C +ATOM 176 O PRO A 29 -32.464 12.186 9.092 1.00 88.37 O +ATOM 177 CB PRO A 29 -30.592 14.557 10.300 1.00 86.94 C +ATOM 178 CG PRO A 29 -30.382 14.892 8.864 1.00 85.79 C +ATOM 179 CD PRO A 29 -29.444 13.836 8.337 1.00 88.54 C +HETATM 180 N HYP A 30 -32.697 12.293 11.290 1.00 89.48 N +HETATM 181 CA HYP A 30 -34.049 11.810 11.289 1.00 88.59 C +HETATM 182 C HYP A 30 -35.002 12.726 10.527 1.00 90.39 C +HETATM 183 O HYP A 30 -34.776 13.938 10.463 1.00 89.48 O +HETATM 184 CB HYP A 30 -34.437 11.820 12.778 1.00 87.52 C +HETATM 185 CG HYP A 30 -33.136 11.741 13.538 1.00 84.35 C +HETATM 186 CD HYP A 30 -32.155 12.481 12.621 1.00 87.42 C +HETATM 187 OD1 HYP A 30 -32.689 10.392 13.657 1.00 84.69 O +ATOM 188 N GLY A 31 -36.035 12.156 9.930 1.00 83.14 N +ATOM 189 CA GLY A 31 -37.030 12.942 9.249 1.00 81.08 C +ATOM 190 C GLY A 31 -37.817 13.801 10.231 1.00 81.74 C +ATOM 191 O GLY A 31 -37.694 13.643 11.447 1.00 78.52 O +ATOM 192 N PRO A 32 -38.663 14.715 9.713 1.00 84.61 N +ATOM 193 CA PRO A 32 -39.438 15.569 10.602 1.00 84.95 C +ATOM 194 C PRO A 32 -40.482 14.769 11.361 1.00 84.74 C +ATOM 195 O PRO A 32 -40.964 13.747 10.877 1.00 79.12 O +ATOM 196 CB PRO A 32 -40.078 16.582 9.660 1.00 79.65 C +ATOM 197 CG PRO A 32 -40.166 15.852 8.368 1.00 76.72 C +ATOM 198 CD PRO A 32 -38.939 14.981 8.320 1.00 79.26 C +HETATM 199 N HYP A 33 -40.907 15.255 12.500 1.00 84.16 N +HETATM 200 CA HYP A 33 -41.881 14.513 13.268 1.00 78.92 C +HETATM 201 C HYP A 33 -43.211 14.453 12.516 1.00 75.06 C +HETATM 202 O HYP A 33 -43.621 15.479 11.959 1.00 77.05 O +HETATM 203 CB HYP A 33 -42.059 15.303 14.591 1.00 81.63 C +HETATM 204 CG HYP A 33 -40.877 16.257 14.681 1.00 75.22 C +HETATM 205 CD HYP A 33 -40.433 16.450 13.222 1.00 80.96 C +HETATM 206 OD1 HYP A 33 -39.832 15.628 15.374 1.00 72.47 O +HETATM 207 OXT HYP A 33 -43.764 13.319 12.535 1.00 77.64 O +TER 208 HYP A 33 +END diff --git a/protein_pdb_40.txt b/protein_pdb_40.txt new file mode 100644 index 0000000000000000000000000000000000000000..9d9e68ad8f01a264c70b9adb99207cd3114ca400 --- /dev/null +++ b/protein_pdb_40.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 30.020 -10.787 13.953 1.00 82.24 N +ATOM 2 CA GLY A 1 30.082 -10.139 12.643 1.00 86.21 C +ATOM 3 C GLY A 1 29.261 -8.873 12.617 1.00 86.20 C +ATOM 4 O GLY A 1 28.508 -8.599 13.549 1.00 83.76 O +ATOM 5 N PRO A 2 29.382 -8.083 11.573 1.00 87.24 N +ATOM 6 CA PRO A 2 28.623 -6.843 11.469 1.00 90.05 C +ATOM 7 C PRO A 2 27.141 -7.120 11.271 1.00 90.23 C +ATOM 8 O PRO A 2 26.752 -8.199 10.839 1.00 90.32 O +ATOM 9 CB PRO A 2 29.229 -6.145 10.248 1.00 88.75 C +ATOM 10 CG PRO A 2 29.708 -7.274 9.403 1.00 84.71 C +ATOM 11 CD PRO A 2 30.218 -8.303 10.386 1.00 85.73 C +HETATM 12 N HYP A 3 26.374 -6.180 11.629 1.00 83.85 N +HETATM 13 CA HYP A 3 24.915 -6.246 11.371 1.00 81.98 C +HETATM 14 C HYP A 3 24.613 -6.468 9.909 1.00 83.18 C +HETATM 15 O HYP A 3 25.322 -5.933 9.005 1.00 89.34 O +HETATM 16 CB HYP A 3 24.424 -4.877 11.856 1.00 83.94 C +HETATM 17 CG HYP A 3 25.428 -4.432 12.886 1.00 78.74 C +HETATM 18 CD HYP A 3 26.772 -4.931 12.286 1.00 82.71 C +HETATM 19 OD1 HYP A 3 25.212 -5.066 14.109 1.00 89.37 O +ATOM 20 N GLY A 4 23.577 -7.288 9.648 1.00 91.21 N +ATOM 21 CA GLY A 4 23.152 -7.513 8.290 1.00 89.97 C +ATOM 22 C GLY A 4 22.535 -6.252 7.706 1.00 89.90 C +ATOM 23 O GLY A 4 22.276 -5.282 8.422 1.00 90.55 O +ATOM 24 N PRO A 5 22.294 -6.257 6.401 1.00 93.14 N +ATOM 25 CA PRO A 5 21.693 -5.095 5.764 1.00 92.99 C +ATOM 26 C PRO A 5 20.251 -4.906 6.204 1.00 93.20 C +ATOM 27 O PRO A 5 19.610 -5.843 6.672 1.00 93.03 O +ATOM 28 CB PRO A 5 21.796 -5.409 4.269 1.00 91.38 C +ATOM 29 CG PRO A 5 21.749 -6.903 4.237 1.00 88.87 C +ATOM 30 CD PRO A 5 22.517 -7.343 5.455 1.00 90.71 C +HETATM 31 N HYP A 6 19.777 -3.704 6.062 1.00 87.16 N +HETATM 32 CA HYP A 6 18.348 -3.443 6.320 1.00 92.35 C +HETATM 33 C HYP A 6 17.488 -4.315 5.463 1.00 90.15 C +HETATM 34 O HYP A 6 17.819 -4.608 4.297 1.00 91.10 O +HETATM 35 CB HYP A 6 18.223 -1.944 5.960 1.00 88.00 C +HETATM 36 CG HYP A 6 19.600 -1.359 6.211 1.00 86.07 C +HETATM 37 CD HYP A 6 20.504 -2.487 5.725 1.00 87.16 C +HETATM 38 OD1 HYP A 6 19.792 -1.138 7.594 1.00 89.80 O +ATOM 39 N GLY A 7 16.355 -4.762 6.060 1.00 94.03 N +ATOM 40 CA GLY A 7 15.410 -5.570 5.343 1.00 92.85 C +ATOM 41 C GLY A 7 14.737 -4.774 4.237 1.00 93.04 C +ATOM 42 O GLY A 7 14.888 -3.551 4.158 1.00 93.02 O +ATOM 43 N PRO A 8 13.983 -5.459 3.388 1.00 93.20 N +ATOM 44 CA PRO A 8 13.293 -4.770 2.306 1.00 92.95 C +ATOM 45 C PRO A 8 12.161 -3.905 2.841 1.00 93.22 C +ATOM 46 O PRO A 8 11.692 -4.105 3.956 1.00 91.97 O +ATOM 47 CB PRO A 8 12.768 -5.904 1.433 1.00 91.38 C +ATOM 48 CG PRO A 8 12.570 -7.019 2.404 1.00 90.70 C +ATOM 49 CD PRO A 8 13.710 -6.887 3.391 1.00 92.70 C +HETATM 50 N HYP A 9 11.727 -2.941 2.075 1.00 87.99 N +HETATM 51 CA HYP A 9 10.594 -2.141 2.413 1.00 91.55 C +HETATM 52 C HYP A 9 9.371 -2.978 2.621 1.00 90.38 C +HETATM 53 O HYP A 9 9.176 -4.016 1.971 1.00 91.65 O +HETATM 54 CB HYP A 9 10.469 -1.227 1.125 1.00 88.42 C +HETATM 55 CG HYP A 9 11.889 -1.118 0.601 1.00 85.89 C +HETATM 56 CD HYP A 9 12.422 -2.517 0.850 1.00 88.82 C +HETATM 57 OD1 HYP A 9 12.637 -0.174 1.344 1.00 88.20 O +ATOM 58 N GLY A 10 8.518 -2.537 3.568 1.00 91.50 N +ATOM 59 CA GLY A 10 7.286 -3.229 3.837 1.00 90.29 C +ATOM 60 C GLY A 10 6.359 -3.197 2.640 1.00 90.04 C +ATOM 61 O GLY A 10 6.589 -2.484 1.656 1.00 88.28 O +ATOM 62 N LYS A 11 5.292 -3.974 2.735 1.00 90.17 N +ATOM 63 CA LYS A 11 4.295 -4.016 1.663 1.00 90.56 C +ATOM 64 C LYS A 11 3.626 -2.663 1.507 1.00 90.28 C +ATOM 65 O LYS A 11 3.588 -1.861 2.432 1.00 89.90 O +ATOM 66 CB LYS A 11 3.245 -5.071 1.960 1.00 87.40 C +ATOM 67 CG LYS A 11 3.749 -6.489 1.810 1.00 82.05 C +ATOM 68 CD LYS A 11 2.613 -7.480 1.895 1.00 81.23 C +ATOM 69 CE LYS A 11 3.062 -8.896 1.576 1.00 77.34 C +ATOM 70 NZ LYS A 11 1.921 -9.819 1.518 1.00 73.16 N +HETATM 71 N HYP A 12 3.057 -2.348 0.343 1.00 86.48 N +HETATM 72 CA HYP A 12 2.291 -1.170 0.130 1.00 88.73 C +HETATM 73 C HYP A 12 1.168 -1.055 1.138 1.00 89.92 C +HETATM 74 O HYP A 12 0.731 -2.061 1.734 1.00 90.49 O +HETATM 75 CB HYP A 12 1.773 -1.425 -1.318 1.00 86.85 C +HETATM 76 CG HYP A 12 2.851 -2.192 -1.953 1.00 82.91 C +HETATM 77 CD HYP A 12 3.249 -3.124 -0.880 1.00 87.20 C +HETATM 78 OD1 HYP A 12 3.918 -1.361 -2.320 1.00 87.13 O +ATOM 79 N GLY A 13 0.718 0.156 1.312 1.00 92.81 N +ATOM 80 CA GLY A 13 -0.389 0.388 2.197 1.00 91.78 C +ATOM 81 C GLY A 13 -1.661 -0.237 1.662 1.00 91.53 C +ATOM 82 O GLY A 13 -1.691 -0.769 0.550 1.00 90.85 O +ATOM 83 N PRO A 14 -2.740 -0.185 2.459 1.00 93.10 N +ATOM 84 CA PRO A 14 -4.002 -0.771 2.033 1.00 93.46 C +ATOM 85 C PRO A 14 -4.614 0.004 0.865 1.00 93.41 C +ATOM 86 O PRO A 14 -4.309 1.166 0.653 1.00 91.96 O +ATOM 87 CB PRO A 14 -4.873 -0.671 3.276 1.00 91.74 C +ATOM 88 CG PRO A 14 -4.321 0.496 4.008 1.00 90.19 C +ATOM 89 CD PRO A 14 -2.838 0.428 3.779 1.00 91.54 C +HETATM 90 N HYP A 15 -5.499 -0.637 0.103 1.00 87.77 N +HETATM 91 CA HYP A 15 -6.191 -0.028 -0.968 1.00 91.27 C +HETATM 92 C HYP A 15 -7.048 1.173 -0.477 1.00 90.78 C +HETATM 93 O HYP A 15 -7.507 1.165 0.675 1.00 91.32 O +HETATM 94 CB HYP A 15 -7.143 -1.172 -1.429 1.00 88.36 C +HETATM 95 CG HYP A 15 -6.342 -2.384 -1.153 1.00 84.75 C +HETATM 96 CD HYP A 15 -5.717 -2.042 0.178 1.00 87.53 C +HETATM 97 OD1 HYP A 15 -5.380 -2.592 -2.124 1.00 88.16 O +ATOM 98 N GLY A 16 -7.181 2.111 -1.338 1.00 92.34 N +ATOM 99 CA GLY A 16 -8.020 3.226 -1.012 1.00 91.47 C +ATOM 100 C GLY A 16 -9.474 2.798 -0.923 1.00 92.11 C +ATOM 101 O GLY A 16 -9.824 1.664 -1.258 1.00 92.54 O +ATOM 102 N PRO A 17 -10.343 3.710 -0.482 1.00 91.73 N +ATOM 103 CA PRO A 17 -11.759 3.377 -0.375 1.00 92.45 C +ATOM 104 C PRO A 17 -12.384 3.217 -1.749 1.00 92.82 C +ATOM 105 O PRO A 17 -11.867 3.703 -2.743 1.00 92.20 O +ATOM 106 CB PRO A 17 -12.339 4.576 0.370 1.00 91.25 C +ATOM 107 CG PRO A 17 -11.434 5.694 0.002 1.00 89.97 C +ATOM 108 CD PRO A 17 -10.056 5.078 -0.069 1.00 91.75 C +HETATM 109 N HYP A 18 -13.501 2.531 -1.836 1.00 87.27 N +HETATM 110 CA HYP A 18 -14.251 2.397 -3.043 1.00 91.55 C +HETATM 111 C HYP A 18 -14.680 3.756 -3.598 1.00 88.56 C +HETATM 112 O HYP A 18 -14.910 4.701 -2.838 1.00 92.03 O +HETATM 113 CB HYP A 18 -15.443 1.562 -2.625 1.00 89.25 C +HETATM 114 CG HYP A 18 -14.930 0.738 -1.485 1.00 85.54 C +HETATM 115 CD HYP A 18 -14.014 1.727 -0.781 1.00 88.21 C +HETATM 116 OD1 HYP A 18 -14.169 -0.345 -1.930 1.00 91.44 O +ATOM 117 N GLY A 19 -14.714 3.827 -4.915 1.00 92.63 N +ATOM 118 CA GLY A 19 -15.154 5.029 -5.562 1.00 91.58 C +ATOM 119 C GLY A 19 -16.623 5.294 -5.255 1.00 91.80 C +ATOM 120 O GLY A 19 -17.318 4.450 -4.689 1.00 91.77 O +ATOM 121 N PRO A 20 -17.110 6.457 -5.652 1.00 90.63 N +ATOM 122 CA PRO A 20 -18.504 6.791 -5.403 1.00 90.56 C +ATOM 123 C PRO A 20 -19.430 5.968 -6.281 1.00 90.71 C +ATOM 124 O PRO A 20 -19.012 5.405 -7.292 1.00 89.90 O +ATOM 125 CB PRO A 20 -18.573 8.277 -5.748 1.00 88.53 C +ATOM 126 CG PRO A 20 -17.508 8.446 -6.777 1.00 85.90 C +ATOM 127 CD PRO A 20 -16.397 7.524 -6.343 1.00 88.31 C +HETATM 128 N HYP A 21 -20.694 5.848 -5.923 1.00 91.55 N +HETATM 129 CA HYP A 21 -21.701 5.194 -6.712 1.00 91.76 C +HETATM 130 C HYP A 21 -21.818 5.798 -8.111 1.00 92.47 C +HETATM 131 O HYP A 21 -21.607 7.012 -8.265 1.00 91.76 O +HETATM 132 CB HYP A 21 -22.967 5.395 -5.917 1.00 91.28 C +HETATM 133 CG HYP A 21 -22.497 5.495 -4.493 1.00 88.90 C +HETATM 134 CD HYP A 21 -21.188 6.251 -4.644 1.00 90.57 C +HETATM 135 OD1 HYP A 21 -22.217 4.232 -3.953 1.00 90.34 O +ATOM 136 N GLY A 22 -22.109 4.977 -9.098 1.00 90.80 N +ATOM 137 CA GLY A 22 -22.300 5.439 -10.441 1.00 89.59 C +ATOM 138 C GLY A 22 -23.496 6.376 -10.533 1.00 89.72 C +ATOM 139 O GLY A 22 -24.240 6.548 -9.562 1.00 89.80 O +ATOM 140 N PRO A 23 -23.720 6.961 -11.711 1.00 87.21 N +ATOM 141 CA PRO A 23 -24.840 7.877 -11.874 1.00 87.69 C +ATOM 142 C PRO A 23 -26.161 7.145 -11.802 1.00 87.62 C +ATOM 143 O PRO A 23 -26.235 5.943 -12.049 1.00 85.14 O +ATOM 144 CB PRO A 23 -24.605 8.492 -13.254 1.00 84.38 C +ATOM 145 CG PRO A 23 -23.856 7.433 -13.978 1.00 81.82 C +ATOM 146 CD PRO A 23 -22.964 6.796 -12.945 1.00 84.02 C +HETATM 147 N HYP A 24 -27.212 7.843 -11.517 1.00 86.86 N +HETATM 148 CA HYP A 24 -28.484 7.197 -11.500 1.00 90.13 C +HETATM 149 C HYP A 24 -28.771 6.514 -12.790 1.00 86.99 C +HETATM 150 O HYP A 24 -28.210 6.972 -13.794 1.00 88.04 O +HETATM 151 CB HYP A 24 -29.452 8.396 -11.231 1.00 88.49 C +HETATM 152 CG HYP A 24 -28.632 9.452 -10.580 1.00 85.02 C +HETATM 153 CD HYP A 24 -27.241 9.254 -11.206 1.00 86.72 C +HETATM 154 OD1 HYP A 24 -28.518 9.188 -9.196 1.00 86.22 O +HETATM 155 OXT HYP A 24 -29.578 5.566 -12.742 1.00 82.95 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_400.txt b/protein_pdb_400.txt new file mode 100644 index 0000000000000000000000000000000000000000..aae41fd3ce31befbce08807091e80d3b0b25d613 --- /dev/null +++ b/protein_pdb_400.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 4.713 -11.408 8.663 1.00 85.30 N +ATOM 2 CA GLY A 1 5.535 -10.961 7.595 1.00 84.92 C +ATOM 3 C GLY A 1 5.543 -9.459 7.361 1.00 85.00 C +ATOM 4 O GLY A 1 4.815 -8.707 8.007 1.00 82.30 O +ATOM 5 N PRO A 2 6.357 -9.029 6.432 1.00 85.71 N +ATOM 6 CA PRO A 2 6.492 -7.613 6.119 1.00 86.68 C +ATOM 7 C PRO A 2 5.353 -7.110 5.256 1.00 86.14 C +ATOM 8 O PRO A 2 4.545 -7.888 4.753 1.00 84.21 O +ATOM 9 CB PRO A 2 7.816 -7.568 5.367 1.00 83.03 C +ATOM 10 CG PRO A 2 7.858 -8.882 4.666 1.00 79.47 C +ATOM 11 CD PRO A 2 7.238 -9.861 5.628 1.00 81.42 C +HETATM 12 N HYP A 3 5.325 -5.792 5.082 1.00 85.75 N +HETATM 13 CA HYP A 3 4.314 -5.207 4.222 1.00 87.97 C +HETATM 14 C HYP A 3 4.402 -5.701 2.799 1.00 89.57 C +HETATM 15 O HYP A 3 5.508 -6.046 2.331 1.00 90.13 O +HETATM 16 CB HYP A 3 4.680 -3.680 4.293 1.00 86.10 C +HETATM 17 CG HYP A 3 5.366 -3.537 5.649 1.00 82.81 C +HETATM 18 CD HYP A 3 6.169 -4.866 5.766 1.00 85.33 C +HETATM 19 OD1 HYP A 3 4.386 -3.501 6.634 1.00 85.21 O +ATOM 20 N GLY A 4 3.290 -5.830 2.155 1.00 89.51 N +ATOM 21 CA GLY A 4 3.268 -6.238 0.785 1.00 88.26 C +ATOM 22 C GLY A 4 3.832 -5.153 -0.119 1.00 88.22 C +ATOM 23 O GLY A 4 4.082 -4.029 0.317 1.00 87.25 O +ATOM 24 N PRO A 5 4.035 -5.476 -1.397 1.00 89.31 N +ATOM 25 CA PRO A 5 4.582 -4.505 -2.331 1.00 88.76 C +ATOM 26 C PRO A 5 3.577 -3.422 -2.665 1.00 88.53 C +ATOM 27 O PRO A 5 2.374 -3.590 -2.487 1.00 87.19 O +ATOM 28 CB PRO A 5 4.913 -5.349 -3.557 1.00 86.35 C +ATOM 29 CG PRO A 5 3.935 -6.469 -3.491 1.00 84.58 C +ATOM 30 CD PRO A 5 3.756 -6.754 -2.028 1.00 86.39 C +HETATM 31 N HYP A 6 4.106 -2.290 -3.114 1.00 88.99 N +HETATM 32 CA HYP A 6 3.227 -1.236 -3.615 1.00 91.77 C +HETATM 33 C HYP A 6 2.350 -1.697 -4.721 1.00 90.78 C +HETATM 34 O HYP A 6 2.736 -2.592 -5.525 1.00 90.28 O +HETATM 35 CB HYP A 6 4.279 -0.211 -4.125 1.00 86.83 C +HETATM 36 CG HYP A 6 5.505 -0.489 -3.304 1.00 85.79 C +HETATM 37 CD HYP A 6 5.506 -1.980 -3.172 1.00 88.42 C +HETATM 38 OD1 HYP A 6 5.376 0.106 -2.038 1.00 86.77 O +ATOM 39 N GLY A 7 1.151 -1.203 -4.755 1.00 90.73 N +ATOM 40 CA GLY A 7 0.236 -1.532 -5.812 1.00 89.37 C +ATOM 41 C GLY A 7 0.705 -0.962 -7.133 1.00 89.42 C +ATOM 42 O GLY A 7 1.651 -0.187 -7.199 1.00 88.73 O +ATOM 43 N PRO A 8 0.035 -1.351 -8.211 1.00 90.03 N +ATOM 44 CA PRO A 8 0.405 -0.845 -9.520 1.00 89.38 C +ATOM 45 C PRO A 8 0.027 0.617 -9.669 1.00 88.62 C +ATOM 46 O PRO A 8 -0.816 1.138 -8.946 1.00 86.56 O +ATOM 47 CB PRO A 8 -0.388 -1.726 -10.478 1.00 86.43 C +ATOM 48 CG PRO A 8 -1.578 -2.114 -9.689 1.00 86.22 C +ATOM 49 CD PRO A 8 -1.099 -2.257 -8.271 1.00 88.59 C +HETATM 50 N HYP A 9 0.665 1.288 -10.632 1.00 86.88 N +HETATM 51 CA HYP A 9 0.333 2.629 -10.911 1.00 89.39 C +HETATM 52 C HYP A 9 -1.071 2.758 -11.390 1.00 85.29 C +HETATM 53 O HYP A 9 -1.585 1.863 -12.080 1.00 87.84 O +HETATM 54 CB HYP A 9 1.275 2.916 -12.141 1.00 84.38 C +HETATM 55 CG HYP A 9 2.412 2.002 -11.945 1.00 83.67 C +HETATM 56 CD HYP A 9 1.810 0.784 -11.409 1.00 87.03 C +HETATM 57 OD1 HYP A 9 3.305 2.551 -10.999 1.00 81.48 O +ATOM 58 N GLY A 10 -1.787 3.793 -11.014 1.00 88.56 N +ATOM 59 CA GLY A 10 -3.061 4.111 -11.600 1.00 86.09 C +ATOM 60 C GLY A 10 -2.865 4.628 -13.008 1.00 86.91 C +ATOM 61 O GLY A 10 -1.740 4.835 -13.460 1.00 85.12 O +ATOM 62 N TRP A 11 -3.969 4.853 -13.690 1.00 85.48 N +ATOM 63 CA TRP A 11 -3.850 5.342 -15.059 1.00 85.94 C +ATOM 64 C TRP A 11 -3.074 6.658 -15.127 1.00 84.37 C +ATOM 65 O TRP A 11 -2.324 6.877 -16.066 1.00 82.64 O +ATOM 66 CB TRP A 11 -5.229 5.523 -15.666 1.00 84.33 C +ATOM 67 CG TRP A 11 -5.936 4.226 -15.951 1.00 78.94 C +ATOM 68 CD1 TRP A 11 -5.525 2.982 -15.643 1.00 79.88 C +ATOM 69 CD2 TRP A 11 -7.189 4.080 -16.622 1.00 79.08 C +ATOM 70 NE1 TRP A 11 -6.429 2.047 -16.071 1.00 72.55 N +ATOM 71 CE2 TRP A 11 -7.466 2.694 -16.671 1.00 76.19 C +ATOM 72 CE3 TRP A 11 -8.104 4.970 -17.184 1.00 73.21 C +ATOM 73 CZ2 TRP A 11 -8.622 2.201 -17.266 1.00 79.97 C +ATOM 74 CZ3 TRP A 11 -9.255 4.476 -17.773 1.00 73.65 C +ATOM 75 CH2 TRP A 11 -9.505 3.110 -17.813 1.00 72.24 C +ATOM 76 N ILE A 12 -3.270 7.508 -14.130 1.00 82.75 N +ATOM 77 CA ILE A 12 -2.494 8.736 -13.997 1.00 83.08 C +ATOM 78 C ILE A 12 -2.008 8.900 -12.567 1.00 82.62 C +ATOM 79 O ILE A 12 -1.639 9.998 -12.152 1.00 77.92 O +ATOM 80 CB ILE A 12 -3.306 9.972 -14.436 1.00 79.94 C +ATOM 81 CG1 ILE A 12 -4.568 10.104 -13.595 1.00 75.69 C +ATOM 82 CG2 ILE A 12 -3.643 9.898 -15.912 1.00 72.58 C +ATOM 83 CD1 ILE A 12 -5.269 11.447 -13.769 1.00 67.45 C +ATOM 84 N GLY A 13 -1.994 7.838 -11.802 1.00 86.41 N +ATOM 85 CA GLY A 13 -1.722 7.910 -10.390 1.00 84.06 C +ATOM 86 C GLY A 13 -0.484 7.156 -9.965 1.00 84.13 C +ATOM 87 O GLY A 13 0.102 6.399 -10.732 1.00 84.15 O +ATOM 88 N PRO A 14 -0.076 7.378 -8.729 1.00 88.02 N +ATOM 89 CA PRO A 14 1.105 6.729 -8.188 1.00 87.95 C +ATOM 90 C PRO A 14 0.832 5.271 -7.841 1.00 87.51 C +ATOM 91 O PRO A 14 -0.302 4.808 -7.872 1.00 85.36 O +ATOM 92 CB PRO A 14 1.403 7.548 -6.932 1.00 85.09 C +ATOM 93 CG PRO A 14 0.050 7.962 -6.470 1.00 84.96 C +ATOM 94 CD PRO A 14 -0.731 8.225 -7.738 1.00 86.39 C +HETATM 95 N HYP A 15 1.899 4.592 -7.469 1.00 85.95 N +HETATM 96 CA HYP A 15 1.747 3.240 -6.975 1.00 89.95 C +HETATM 97 C HYP A 15 0.843 3.198 -5.795 1.00 89.95 C +HETATM 98 O HYP A 15 0.767 4.181 -5.023 1.00 90.17 O +HETATM 99 CB HYP A 15 3.230 2.908 -6.586 1.00 84.83 C +HETATM 100 CG HYP A 15 4.033 3.746 -7.544 1.00 82.16 C +HETATM 101 CD HYP A 15 3.271 5.033 -7.592 1.00 86.75 C +HETATM 102 OD1 HYP A 15 4.093 3.139 -8.788 1.00 83.62 O +ATOM 103 N GLY A 16 0.148 2.136 -5.656 1.00 88.62 N +ATOM 104 CA GLY A 16 -0.679 1.953 -4.498 1.00 88.09 C +ATOM 105 C GLY A 16 0.166 1.813 -3.253 1.00 88.72 C +ATOM 106 O GLY A 16 1.386 1.677 -3.318 1.00 87.25 O +ATOM 107 N PRO A 17 -0.486 1.852 -2.105 1.00 90.54 N +ATOM 108 CA PRO A 17 0.240 1.703 -0.855 1.00 90.85 C +ATOM 109 C PRO A 17 0.730 0.281 -0.667 1.00 91.52 C +ATOM 110 O PRO A 17 0.239 -0.647 -1.300 1.00 90.01 O +ATOM 111 CB PRO A 17 -0.794 2.087 0.203 1.00 88.86 C +ATOM 112 CG PRO A 17 -2.086 1.728 -0.428 1.00 87.77 C +ATOM 113 CD PRO A 17 -1.923 2.016 -1.895 1.00 88.88 C +HETATM 114 N HYP A 18 1.711 0.146 0.190 1.00 88.15 N +HETATM 115 CA HYP A 18 2.158 -1.168 0.555 1.00 93.69 C +HETATM 116 C HYP A 18 1.038 -2.003 1.063 1.00 91.07 C +HETATM 117 O HYP A 18 0.094 -1.489 1.678 1.00 90.29 O +HETATM 118 CB HYP A 18 3.197 -0.853 1.629 1.00 86.52 C +HETATM 119 CG HYP A 18 3.665 0.549 1.318 1.00 83.42 C +HETATM 120 CD HYP A 18 2.418 1.225 0.849 1.00 87.41 C +HETATM 121 OD1 HYP A 18 4.608 0.520 0.272 1.00 86.94 O +ATOM 122 N GLY A 19 1.099 -3.267 0.792 1.00 90.03 N +ATOM 123 CA GLY A 19 0.133 -4.186 1.306 1.00 89.38 C +ATOM 124 C GLY A 19 0.252 -4.313 2.814 1.00 90.01 C +ATOM 125 O GLY A 19 1.198 -3.817 3.419 1.00 90.20 O +ATOM 126 N PRO A 20 -0.708 -4.973 3.418 1.00 84.80 N +ATOM 127 CA PRO A 20 -0.657 -5.162 4.859 1.00 84.85 C +ATOM 128 C PRO A 20 0.439 -6.138 5.241 1.00 84.24 C +ATOM 129 O PRO A 20 0.913 -6.916 4.417 1.00 83.16 O +ATOM 130 CB PRO A 20 -2.039 -5.713 5.188 1.00 82.17 C +ATOM 131 CG PRO A 20 -2.449 -6.403 3.937 1.00 80.71 C +ATOM 132 CD PRO A 20 -1.873 -5.595 2.813 1.00 83.57 C +HETATM 133 N HYP A 21 0.839 -6.068 6.502 1.00 88.48 N +HETATM 134 CA HYP A 21 1.787 -7.019 7.001 1.00 88.87 C +HETATM 135 C HYP A 21 1.303 -8.441 6.868 1.00 87.07 C +HETATM 136 O HYP A 21 0.102 -8.699 6.993 1.00 90.12 O +HETATM 137 CB HYP A 21 1.885 -6.650 8.486 1.00 84.76 C +HETATM 138 CG HYP A 21 1.526 -5.196 8.548 1.00 82.95 C +HETATM 139 CD HYP A 21 0.479 -5.052 7.503 1.00 87.26 C +HETATM 140 OD1 HYP A 21 2.650 -4.399 8.159 1.00 85.85 O +ATOM 141 N GLY A 22 2.180 -9.318 6.490 1.00 88.03 N +ATOM 142 CA GLY A 22 1.839 -10.704 6.408 1.00 85.76 C +ATOM 143 C GLY A 22 1.547 -11.251 7.796 1.00 85.43 C +ATOM 144 O GLY A 22 1.785 -10.583 8.802 1.00 83.43 O +ATOM 145 N PRO A 23 1.047 -12.469 7.883 1.00 87.92 N +ATOM 146 CA PRO A 23 0.784 -13.066 9.183 1.00 87.16 C +ATOM 147 C PRO A 23 2.101 -13.384 9.877 1.00 86.13 C +ATOM 148 O PRO A 23 2.821 -14.284 9.451 1.00 82.17 O +ATOM 149 CB PRO A 23 -0.019 -14.317 8.847 1.00 82.93 C +ATOM 150 CG PRO A 23 0.378 -14.639 7.461 1.00 80.73 C +ATOM 151 CD PRO A 23 0.681 -13.333 6.786 1.00 83.51 C +HETATM 152 N HYP A 24 2.540 -12.645 10.757 1.00 85.55 N +HETATM 153 CA HYP A 24 3.965 -12.378 11.163 1.00 75.73 C +HETATM 154 C HYP A 24 4.893 -11.927 10.366 1.00 80.87 C +HETATM 155 O HYP A 24 5.628 -10.875 10.645 1.00 80.17 O +HETATM 156 CB HYP A 24 3.848 -12.054 12.652 1.00 76.46 C +HETATM 157 CG HYP A 24 2.598 -12.789 13.115 1.00 80.86 C +HETATM 158 CD HYP A 24 1.704 -12.852 11.861 1.00 84.85 C +HETATM 159 OD1 HYP A 24 1.931 -12.117 14.175 1.00 82.83 O +HETATM 160 OXT HYP A 24 5.750 -12.897 9.987 1.00 76.14 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_401.txt b/protein_pdb_401.txt new file mode 100644 index 0000000000000000000000000000000000000000..960a021c3b5e591f287a894ba86ae4199daae2cf --- /dev/null +++ b/protein_pdb_401.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 7.361 -14.382 -4.671 1.00 90.74 N +ATOM 2 CA GLY A 1 6.568 -13.601 -5.578 1.00 91.63 C +ATOM 3 C GLY A 1 6.864 -12.123 -5.505 1.00 92.53 C +ATOM 4 O GLY A 1 7.582 -11.671 -4.616 1.00 90.79 O +ATOM 5 N PRO A 2 6.307 -11.405 -6.366 1.00 89.44 N +ATOM 6 CA PRO A 2 6.534 -9.973 -6.408 1.00 90.38 C +ATOM 7 C PRO A 2 5.763 -9.225 -5.336 1.00 90.23 C +ATOM 8 O PRO A 2 4.856 -9.766 -4.708 1.00 87.85 O +ATOM 9 CB PRO A 2 6.053 -9.600 -7.806 1.00 87.44 C +ATOM 10 CG PRO A 2 4.971 -10.585 -8.075 1.00 83.54 C +ATOM 11 CD PRO A 2 5.457 -11.872 -7.455 1.00 84.98 C +HETATM 12 N HYP A 3 6.150 -7.981 -5.147 1.00 90.87 N +HETATM 13 CA HYP A 3 5.426 -7.153 -4.191 1.00 89.56 C +HETATM 14 C HYP A 3 3.972 -6.963 -4.589 1.00 91.38 C +HETATM 15 O HYP A 3 3.652 -7.030 -5.797 1.00 92.66 O +HETATM 16 CB HYP A 3 6.181 -5.777 -4.315 1.00 89.39 C +HETATM 17 CG HYP A 3 7.583 -6.181 -4.764 1.00 86.07 C +HETATM 18 CD HYP A 3 7.308 -7.361 -5.715 1.00 89.47 C +HETATM 19 OD1 HYP A 3 8.285 -6.628 -3.644 1.00 87.40 O +ATOM 20 N GLY A 4 3.138 -6.835 -3.608 1.00 93.70 N +ATOM 21 CA GLY A 4 1.742 -6.616 -3.856 1.00 93.65 C +ATOM 22 C GLY A 4 1.502 -5.237 -4.436 1.00 94.21 C +ATOM 23 O GLY A 4 2.410 -4.408 -4.518 1.00 94.20 O +ATOM 24 N PRO A 5 0.275 -4.974 -4.847 1.00 92.84 N +ATOM 25 CA PRO A 5 -0.051 -3.680 -5.432 1.00 92.36 C +ATOM 26 C PRO A 5 -0.044 -2.575 -4.384 1.00 92.24 C +ATOM 27 O PRO A 5 -0.157 -2.829 -3.193 1.00 91.10 O +ATOM 28 CB PRO A 5 -1.442 -3.896 -6.005 1.00 91.13 C +ATOM 29 CG PRO A 5 -2.026 -4.946 -5.127 1.00 89.88 C +ATOM 30 CD PRO A 5 -0.881 -5.862 -4.802 1.00 91.72 C +HETATM 31 N HYP A 6 0.118 -1.333 -4.861 1.00 93.28 N +HETATM 32 CA HYP A 6 0.011 -0.207 -3.982 1.00 93.48 C +HETATM 33 C HYP A 6 -1.327 -0.139 -3.298 1.00 93.97 C +HETATM 34 O HYP A 6 -2.343 -0.622 -3.857 1.00 93.51 O +HETATM 35 CB HYP A 6 0.155 0.987 -4.973 1.00 89.72 C +HETATM 36 CG HYP A 6 0.986 0.412 -6.103 1.00 89.00 C +HETATM 37 CD HYP A 6 0.438 -1.009 -6.227 1.00 92.10 C +HETATM 38 OD1 HYP A 6 2.338 0.367 -5.688 1.00 88.63 O +ATOM 39 N GLY A 7 -1.335 0.357 -2.107 1.00 93.32 N +ATOM 40 CA GLY A 7 -2.552 0.531 -1.370 1.00 92.95 C +ATOM 41 C GLY A 7 -3.429 1.577 -2.025 1.00 93.50 C +ATOM 42 O GLY A 7 -3.023 2.263 -2.963 1.00 93.45 O +ATOM 43 N PRO A 8 -4.650 1.698 -1.538 1.00 91.74 N +ATOM 44 CA PRO A 8 -5.575 2.667 -2.120 1.00 91.75 C +ATOM 45 C PRO A 8 -5.173 4.094 -1.781 1.00 91.92 C +ATOM 46 O PRO A 8 -4.488 4.356 -0.801 1.00 90.07 O +ATOM 47 CB PRO A 8 -6.907 2.288 -1.498 1.00 89.48 C +ATOM 48 CG PRO A 8 -6.534 1.690 -0.190 1.00 88.45 C +ATOM 49 CD PRO A 8 -5.257 0.945 -0.451 1.00 90.32 C +HETATM 50 N HYP A 9 -5.630 5.025 -2.608 1.00 92.47 N +HETATM 51 CA HYP A 9 -5.396 6.406 -2.357 1.00 91.07 C +HETATM 52 C HYP A 9 -6.103 6.873 -1.119 1.00 92.28 C +HETATM 53 O HYP A 9 -7.137 6.316 -0.724 1.00 91.76 O +HETATM 54 CB HYP A 9 -6.038 7.108 -3.596 1.00 87.25 C +HETATM 55 CG HYP A 9 -6.107 6.071 -4.646 1.00 86.37 C +HETATM 56 CD HYP A 9 -6.298 4.791 -3.911 1.00 90.64 C +HETATM 57 OD1 HYP A 9 -4.839 6.018 -5.287 1.00 87.33 O +ATOM 58 N GLY A 10 -5.621 7.858 -0.471 1.00 91.71 N +ATOM 59 CA GLY A 10 -6.341 8.520 0.584 1.00 90.65 C +ATOM 60 C GLY A 10 -7.453 9.338 -0.043 1.00 90.94 C +ATOM 61 O GLY A 10 -7.738 9.223 -1.234 1.00 89.27 O +ATOM 62 N ILE A 11 -8.078 10.181 0.754 1.00 90.29 N +ATOM 63 CA ILE A 11 -9.160 11.009 0.219 1.00 91.47 C +ATOM 64 C ILE A 11 -8.686 11.768 -1.016 1.00 91.57 C +ATOM 65 O ILE A 11 -9.404 11.864 -2.015 1.00 89.46 O +ATOM 66 CB ILE A 11 -9.687 11.970 1.296 1.00 91.34 C +ATOM 67 CG1 ILE A 11 -10.369 11.155 2.397 1.00 88.26 C +ATOM 68 CG2 ILE A 11 -10.659 12.974 0.696 1.00 85.13 C +ATOM 69 CD1 ILE A 11 -10.784 11.976 3.594 1.00 80.79 C +ATOM 70 N SER A 12 -7.471 12.283 -0.950 1.00 89.80 N +ATOM 71 CA SER A 12 -6.852 12.950 -2.094 1.00 90.67 C +ATOM 72 C SER A 12 -5.351 12.718 -2.050 1.00 91.39 C +ATOM 73 O SER A 12 -4.570 13.492 -2.594 1.00 86.68 O +ATOM 74 CB SER A 12 -7.170 14.447 -2.088 1.00 86.80 C +ATOM 75 OG SER A 12 -6.654 15.065 -0.935 1.00 78.25 O +ATOM 76 N GLY A 13 -4.961 11.647 -1.397 1.00 94.80 N +ATOM 77 CA GLY A 13 -3.558 11.356 -1.183 1.00 94.34 C +ATOM 78 C GLY A 13 -3.017 10.276 -2.083 1.00 94.99 C +ATOM 79 O GLY A 13 -3.742 9.704 -2.903 1.00 94.81 O +ATOM 80 N PRO A 14 -1.750 9.997 -1.942 1.00 94.21 N +ATOM 81 CA PRO A 14 -1.092 9.007 -2.780 1.00 94.28 C +ATOM 82 C PRO A 14 -1.479 7.590 -2.407 1.00 94.41 C +ATOM 83 O PRO A 14 -1.997 7.331 -1.330 1.00 93.19 O +ATOM 84 CB PRO A 14 0.389 9.260 -2.525 1.00 92.87 C +ATOM 85 CG PRO A 14 0.415 9.728 -1.116 1.00 91.36 C +ATOM 86 CD PRO A 14 -0.812 10.588 -0.977 1.00 92.47 C +HETATM 87 N HYP A 15 -1.208 6.719 -3.320 1.00 93.36 N +HETATM 88 CA HYP A 15 -1.385 5.311 -3.040 1.00 93.48 C +HETATM 89 C HYP A 15 -0.501 4.860 -1.923 1.00 94.48 C +HETATM 90 O HYP A 15 0.559 5.459 -1.666 1.00 93.89 O +HETATM 91 CB HYP A 15 -0.895 4.703 -4.391 1.00 91.02 C +HETATM 92 CG HYP A 15 -1.159 5.780 -5.423 1.00 88.70 C +HETATM 93 CD HYP A 15 -0.828 7.043 -4.691 1.00 91.66 C +HETATM 94 OD1 HYP A 15 -2.513 5.767 -5.784 1.00 89.61 O +ATOM 95 N GLY A 16 -0.922 3.860 -1.238 1.00 94.91 N +ATOM 96 CA GLY A 16 -0.106 3.283 -0.208 1.00 94.75 C +ATOM 97 C GLY A 16 1.065 2.544 -0.812 1.00 95.23 C +ATOM 98 O GLY A 16 1.167 2.399 -2.033 1.00 94.99 O +ATOM 99 N PRO A 17 1.957 2.075 0.043 1.00 92.20 N +ATOM 100 CA PRO A 17 3.118 1.354 -0.446 1.00 92.28 C +ATOM 101 C PRO A 17 2.737 -0.014 -1.002 1.00 92.62 C +ATOM 102 O PRO A 17 1.670 -0.539 -0.706 1.00 90.92 O +ATOM 103 CB PRO A 17 4.007 1.242 0.783 1.00 90.87 C +ATOM 104 CG PRO A 17 3.046 1.261 1.917 1.00 89.68 C +ATOM 105 CD PRO A 17 1.951 2.196 1.497 1.00 91.05 C +HETATM 106 N HYP A 18 3.637 -0.566 -1.811 1.00 89.79 N +HETATM 107 CA HYP A 18 3.414 -1.905 -2.283 1.00 90.38 C +HETATM 108 C HYP A 18 3.330 -2.903 -1.168 1.00 91.95 C +HETATM 109 O HYP A 18 3.923 -2.710 -0.099 1.00 91.86 O +HETATM 110 CB HYP A 18 4.719 -2.149 -3.095 1.00 87.76 C +HETATM 111 CG HYP A 18 5.134 -0.769 -3.563 1.00 85.80 C +HETATM 112 CD HYP A 18 4.799 0.083 -2.362 1.00 90.32 C +HETATM 113 OD1 HYP A 18 4.329 -0.386 -4.664 1.00 87.69 O +ATOM 114 N GLY A 19 2.565 -3.910 -1.378 1.00 91.60 N +ATOM 115 CA GLY A 19 2.447 -4.964 -0.418 1.00 91.79 C +ATOM 116 C GLY A 19 3.745 -5.741 -0.315 1.00 92.21 C +ATOM 117 O GLY A 19 4.680 -5.523 -1.085 1.00 92.51 O +ATOM 118 N PRO A 20 3.800 -6.651 0.635 1.00 84.41 N +ATOM 119 CA PRO A 20 5.003 -7.441 0.815 1.00 85.35 C +ATOM 120 C PRO A 20 5.190 -8.437 -0.321 1.00 84.91 C +ATOM 121 O PRO A 20 4.251 -8.752 -1.042 1.00 84.71 O +ATOM 122 CB PRO A 20 4.757 -8.147 2.144 1.00 83.77 C +ATOM 123 CG PRO A 20 3.280 -8.262 2.207 1.00 81.29 C +ATOM 124 CD PRO A 20 2.756 -6.996 1.584 1.00 81.85 C +HETATM 125 N HYP A 21 6.418 -8.887 -0.442 1.00 90.06 N +HETATM 126 CA HYP A 21 6.681 -9.918 -1.425 1.00 88.88 C +HETATM 127 C HYP A 21 5.852 -11.166 -1.200 1.00 90.86 C +HETATM 128 O HYP A 21 5.553 -11.488 -0.057 1.00 92.06 O +HETATM 129 CB HYP A 21 8.166 -10.205 -1.265 1.00 86.85 C +HETATM 130 CG HYP A 21 8.736 -8.946 -0.692 1.00 82.46 C +HETATM 131 CD HYP A 21 7.645 -8.448 0.226 1.00 89.45 C +HETATM 132 OD1 HYP A 21 8.912 -7.995 -1.747 1.00 83.98 O +ATOM 133 N GLY A 22 5.416 -11.757 -2.260 1.00 90.21 N +ATOM 134 CA GLY A 22 4.675 -12.982 -2.166 1.00 88.86 C +ATOM 135 C GLY A 22 5.597 -14.115 -1.765 1.00 88.84 C +ATOM 136 O GLY A 22 6.812 -13.941 -1.651 1.00 88.56 O +ATOM 137 N PRO A 23 5.041 -15.298 -1.574 1.00 91.51 N +ATOM 138 CA PRO A 23 5.861 -16.455 -1.231 1.00 91.36 C +ATOM 139 C PRO A 23 6.821 -16.751 -2.359 1.00 90.13 C +ATOM 140 O PRO A 23 6.402 -16.885 -3.507 1.00 87.00 O +ATOM 141 CB PRO A 23 4.849 -17.577 -1.068 1.00 88.58 C +ATOM 142 CG PRO A 23 3.553 -16.878 -0.839 1.00 85.69 C +ATOM 143 CD PRO A 23 3.631 -15.620 -1.635 1.00 88.10 C +HETATM 144 N HYP A 24 8.007 -16.792 -2.169 1.00 93.17 N +HETATM 145 CA HYP A 24 8.982 -16.813 -3.279 1.00 89.42 C +HETATM 146 C HYP A 24 8.715 -15.975 -4.398 1.00 92.89 C +HETATM 147 O HYP A 24 9.569 -15.130 -4.922 1.00 90.52 O +HETATM 148 CB HYP A 24 10.140 -17.393 -2.779 1.00 88.50 C +HETATM 149 CG HYP A 24 9.662 -18.227 -1.562 1.00 86.42 C +HETATM 150 CD HYP A 24 8.326 -17.636 -1.141 1.00 91.26 C +HETATM 151 OD1 HYP A 24 10.559 -18.064 -0.477 1.00 87.78 O +HETATM 152 OXT HYP A 24 7.803 -16.345 -5.217 1.00 87.36 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_402.txt b/protein_pdb_402.txt new file mode 100644 index 0000000000000000000000000000000000000000..26f480476971c42f1d30e0ecb80715babab11915 --- /dev/null +++ b/protein_pdb_402.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 10.054 -6.103 -9.001 1.00 92.20 N +ATOM 2 CA GLY A 1 9.090 -5.085 -9.282 1.00 93.32 C +ATOM 3 C GLY A 1 9.069 -3.979 -8.258 1.00 94.34 C +ATOM 4 O GLY A 1 9.609 -4.120 -7.167 1.00 93.10 O +ATOM 5 N PRO A 2 8.456 -2.960 -8.595 1.00 92.52 N +ATOM 6 CA PRO A 2 8.348 -1.832 -7.693 1.00 92.88 C +ATOM 7 C PRO A 2 7.370 -2.105 -6.561 1.00 93.00 C +ATOM 8 O PRO A 2 6.575 -3.042 -6.619 1.00 91.46 O +ATOM 9 CB PRO A 2 7.841 -0.711 -8.599 1.00 90.56 C +ATOM 10 CG PRO A 2 7.065 -1.427 -9.636 1.00 87.52 C +ATOM 11 CD PRO A 2 7.811 -2.702 -9.882 1.00 89.64 C +HETATM 12 N HYP A 3 7.464 -1.270 -5.549 1.00 92.97 N +HETATM 13 CA HYP A 3 6.518 -1.407 -4.444 1.00 91.46 C +HETATM 14 C HYP A 3 5.104 -1.185 -4.915 1.00 92.08 C +HETATM 15 O HYP A 3 4.871 -0.445 -5.890 1.00 92.96 O +HETATM 16 CB HYP A 3 6.960 -0.235 -3.523 1.00 89.81 C +HETATM 17 CG HYP A 3 8.427 -0.056 -3.823 1.00 86.55 C +HETATM 18 CD HYP A 3 8.499 -0.288 -5.345 1.00 89.76 C +HETATM 19 OD1 HYP A 3 9.142 -1.055 -3.171 1.00 87.93 O +ATOM 20 N GLY A 4 4.200 -1.869 -4.267 1.00 93.52 N +ATOM 21 CA GLY A 4 2.808 -1.701 -4.587 1.00 92.87 C +ATOM 22 C GLY A 4 2.319 -0.322 -4.194 1.00 93.54 C +ATOM 23 O GLY A 4 3.025 0.445 -3.538 1.00 93.71 O +ATOM 24 N PRO A 5 1.104 0.009 -4.589 1.00 93.84 N +ATOM 25 CA PRO A 5 0.543 1.316 -4.266 1.00 93.59 C +ATOM 26 C PRO A 5 0.198 1.425 -2.793 1.00 93.10 C +ATOM 27 O PRO A 5 0.088 0.431 -2.089 1.00 92.26 O +ATOM 28 CB PRO A 5 -0.701 1.386 -5.140 1.00 92.79 C +ATOM 29 CG PRO A 5 -1.109 -0.036 -5.289 1.00 91.31 C +ATOM 30 CD PRO A 5 0.172 -0.811 -5.366 1.00 92.84 C +HETATM 31 N HYP A 6 0.045 2.675 -2.349 1.00 93.28 N +HETATM 32 CA HYP A 6 -0.389 2.884 -0.996 1.00 95.06 C +HETATM 33 C HYP A 6 -1.728 2.269 -0.717 1.00 93.15 C +HETATM 34 O HYP A 6 -2.572 2.157 -1.639 1.00 93.38 O +HETATM 35 CB HYP A 6 -0.508 4.438 -0.928 1.00 89.74 C +HETATM 36 CG HYP A 6 0.493 4.919 -1.944 1.00 88.84 C +HETATM 37 CD HYP A 6 0.317 3.906 -3.057 1.00 92.18 C +HETATM 38 OD1 HYP A 6 1.791 4.807 -1.411 1.00 88.82 O +ATOM 39 N GLY A 7 -1.897 1.823 0.477 1.00 94.32 N +ATOM 40 CA GLY A 7 -3.161 1.271 0.876 1.00 93.76 C +ATOM 41 C GLY A 7 -4.246 2.326 0.882 1.00 94.33 C +ATOM 42 O GLY A 7 -3.989 3.513 0.690 1.00 94.35 O +ATOM 43 N PRO A 8 -5.467 1.894 1.096 1.00 93.44 N +ATOM 44 CA PRO A 8 -6.579 2.833 1.096 1.00 92.87 C +ATOM 45 C PRO A 8 -6.564 3.716 2.329 1.00 93.03 C +ATOM 46 O PRO A 8 -6.000 3.376 3.361 1.00 92.13 O +ATOM 47 CB PRO A 8 -7.804 1.928 1.086 1.00 91.62 C +ATOM 48 CG PRO A 8 -7.335 0.693 1.761 1.00 90.37 C +ATOM 49 CD PRO A 8 -5.896 0.525 1.339 1.00 91.84 C +HETATM 50 N HYP A 9 -7.202 4.854 2.216 1.00 92.17 N +HETATM 51 CA HYP A 9 -7.335 5.737 3.315 1.00 92.19 C +HETATM 52 C HYP A 9 -8.234 5.137 4.366 1.00 92.05 C +HETATM 53 O HYP A 9 -9.148 4.383 4.053 1.00 90.79 O +HETATM 54 CB HYP A 9 -8.050 6.981 2.715 1.00 87.02 C +HETATM 55 CG HYP A 9 -7.757 6.919 1.280 1.00 87.47 C +HETATM 56 CD HYP A 9 -7.716 5.465 0.968 1.00 90.91 C +HETATM 57 OD1 HYP A 9 -6.478 7.462 1.058 1.00 86.25 O +ATOM 58 N GLY A 10 -7.960 5.396 5.600 1.00 92.07 N +ATOM 59 CA GLY A 10 -8.902 5.079 6.639 1.00 89.60 C +ATOM 60 C GLY A 10 -10.103 5.998 6.514 1.00 90.10 C +ATOM 61 O GLY A 10 -10.146 6.884 5.657 1.00 89.53 O +ATOM 62 N ALA A 11 -11.071 5.809 7.381 1.00 87.82 N +ATOM 63 CA ALA A 11 -12.253 6.665 7.327 1.00 89.74 C +ATOM 64 C ALA A 11 -11.873 8.132 7.413 1.00 90.89 C +ATOM 65 O ALA A 11 -12.454 8.973 6.725 1.00 88.85 O +ATOM 66 CB ALA A 11 -13.207 6.296 8.451 1.00 88.26 C +ATOM 67 N ASN A 12 -10.904 8.427 8.251 1.00 91.18 N +ATOM 68 CA ASN A 12 -10.430 9.792 8.438 1.00 93.55 C +ATOM 69 C ASN A 12 -8.913 9.829 8.547 1.00 93.64 C +ATOM 70 O ASN A 12 -8.361 10.714 9.199 1.00 90.86 O +ATOM 71 CB ASN A 12 -11.039 10.391 9.708 1.00 91.91 C +ATOM 72 CG ASN A 12 -12.542 10.343 9.697 1.00 86.47 C +ATOM 73 OD1 ASN A 12 -13.148 9.518 10.370 1.00 84.07 O +ATOM 74 ND2 ASN A 12 -13.163 11.225 8.927 1.00 80.39 N +ATOM 75 N GLY A 13 -8.237 8.890 7.928 1.00 93.93 N +ATOM 76 CA GLY A 13 -6.815 8.748 8.139 1.00 93.11 C +ATOM 77 C GLY A 13 -6.012 8.654 6.865 1.00 94.03 C +ATOM 78 O GLY A 13 -6.554 8.684 5.764 1.00 93.75 O +ATOM 79 N PRO A 14 -4.712 8.549 7.027 1.00 94.32 N +ATOM 80 CA PRO A 14 -3.814 8.500 5.885 1.00 93.95 C +ATOM 81 C PRO A 14 -3.895 7.170 5.160 1.00 94.04 C +ATOM 82 O PRO A 14 -4.414 6.187 5.678 1.00 92.80 O +ATOM 83 CB PRO A 14 -2.438 8.695 6.508 1.00 92.86 C +ATOM 84 CG PRO A 14 -2.581 8.108 7.866 1.00 92.11 C +ATOM 85 CD PRO A 14 -3.981 8.454 8.289 1.00 93.20 C +HETATM 86 N HYP A 15 -3.374 7.200 3.992 1.00 94.07 N +HETATM 87 CA HYP A 15 -3.231 5.962 3.225 1.00 94.28 C +HETATM 88 C HYP A 15 -2.350 4.986 3.927 1.00 95.77 C +HETATM 89 O HYP A 15 -1.478 5.396 4.738 1.00 94.01 O +HETATM 90 CB HYP A 15 -2.564 6.513 1.943 1.00 91.87 C +HETATM 91 CG HYP A 15 -2.994 7.953 1.842 1.00 90.11 C +HETATM 92 CD HYP A 15 -2.998 8.416 3.282 1.00 92.63 C +HETATM 93 OD1 HYP A 15 -4.294 8.034 1.325 1.00 89.44 O +ATOM 94 N GLY A 16 -2.596 3.740 3.689 1.00 95.81 N +ATOM 95 CA GLY A 16 -1.749 2.720 4.228 1.00 95.46 C +ATOM 96 C GLY A 16 -0.385 2.747 3.571 1.00 95.82 C +ATOM 97 O GLY A 16 -0.148 3.494 2.618 1.00 95.58 O +ATOM 98 N PRO A 17 0.521 1.924 4.080 1.00 93.60 N +ATOM 99 CA PRO A 17 1.862 1.881 3.513 1.00 93.08 C +ATOM 100 C PRO A 17 1.860 1.236 2.141 1.00 93.63 C +ATOM 101 O PRO A 17 0.932 0.526 1.771 1.00 92.65 O +ATOM 102 CB PRO A 17 2.643 1.050 4.524 1.00 92.16 C +ATOM 103 CG PRO A 17 1.613 0.175 5.132 1.00 90.65 C +ATOM 104 CD PRO A 17 0.365 1.000 5.192 1.00 91.85 C +HETATM 105 N HYP A 18 2.920 1.514 1.383 1.00 90.66 N +HETATM 106 CA HYP A 18 3.087 0.849 0.143 1.00 90.29 C +HETATM 107 C HYP A 18 3.141 -0.627 0.278 1.00 91.46 C +HETATM 108 O HYP A 18 3.584 -1.148 1.321 1.00 90.49 O +HETATM 109 CB HYP A 18 4.445 1.384 -0.350 1.00 87.98 C +HETATM 110 CG HYP A 18 4.559 2.747 0.286 1.00 85.17 C +HETATM 111 CD HYP A 18 3.940 2.497 1.653 1.00 89.93 C +HETATM 112 OD1 HYP A 18 3.768 3.681 -0.427 1.00 87.06 O +ATOM 113 N GLY A 19 2.662 -1.308 -0.714 1.00 90.91 N +ATOM 114 CA GLY A 19 2.740 -2.738 -0.739 1.00 90.77 C +ATOM 115 C GLY A 19 4.172 -3.202 -0.889 1.00 91.73 C +ATOM 116 O GLY A 19 5.079 -2.414 -1.132 1.00 92.42 O +ATOM 117 N PRO A 20 4.381 -4.498 -0.738 1.00 84.51 N +ATOM 118 CA PRO A 20 5.724 -5.041 -0.870 1.00 84.98 C +ATOM 119 C PRO A 20 6.199 -4.989 -2.310 1.00 84.73 C +ATOM 120 O PRO A 20 5.406 -4.872 -3.240 1.00 86.54 O +ATOM 121 CB PRO A 20 5.570 -6.477 -0.385 1.00 83.83 C +ATOM 122 CG PRO A 20 4.150 -6.804 -0.681 1.00 82.06 C +ATOM 123 CD PRO A 20 3.394 -5.523 -0.459 1.00 82.18 C +HETATM 124 N HYP A 21 7.507 -5.064 -2.468 1.00 88.68 N +HETATM 125 CA HYP A 21 8.047 -5.125 -3.782 1.00 88.25 C +HETATM 126 C HYP A 21 7.547 -6.298 -4.575 1.00 89.89 C +HETATM 127 O HYP A 21 7.311 -7.356 -4.001 1.00 90.49 O +HETATM 128 CB HYP A 21 9.561 -5.271 -3.565 1.00 86.19 C +HETATM 129 CG HYP A 21 9.784 -4.674 -2.213 1.00 80.59 C +HETATM 130 CD HYP A 21 8.547 -5.061 -1.445 1.00 88.53 C +HETATM 131 OD1 HYP A 21 9.821 -3.250 -2.317 1.00 82.87 O +ATOM 132 N GLY A 22 7.275 -6.085 -5.834 1.00 86.44 N +ATOM 133 CA GLY A 22 6.886 -7.158 -6.700 1.00 82.96 C +ATOM 134 C GLY A 22 8.078 -8.047 -6.996 1.00 83.54 C +ATOM 135 O GLY A 22 9.204 -7.755 -6.583 1.00 84.58 O +ATOM 136 N PRO A 23 7.856 -9.134 -7.713 1.00 90.74 N +ATOM 137 CA PRO A 23 8.956 -10.015 -8.066 1.00 90.96 C +ATOM 138 C PRO A 23 9.863 -9.331 -9.067 1.00 90.24 C +ATOM 139 O PRO A 23 9.433 -8.958 -10.153 1.00 87.71 O +ATOM 140 CB PRO A 23 8.254 -11.231 -8.657 1.00 88.50 C +ATOM 141 CG PRO A 23 6.980 -10.693 -9.191 1.00 85.77 C +ATOM 142 CD PRO A 23 6.582 -9.586 -8.247 1.00 88.81 C +HETATM 143 N HYP A 24 11.031 -9.052 -8.717 1.00 93.96 N +HETATM 144 CA HYP A 24 11.885 -8.098 -9.472 1.00 89.93 C +HETATM 145 C HYP A 24 11.507 -6.796 -9.660 1.00 93.06 C +HETATM 146 O HYP A 24 12.169 -5.754 -9.199 1.00 92.21 O +HETATM 147 CB HYP A 24 13.218 -8.602 -9.506 1.00 89.63 C +HETATM 148 CG HYP A 24 13.029 -10.102 -9.297 1.00 87.89 C +HETATM 149 CD HYP A 24 11.719 -10.234 -8.450 1.00 91.76 C +HETATM 150 OD1 HYP A 24 14.096 -10.667 -8.613 1.00 88.00 O +HETATM 151 OXT HYP A 24 10.867 -6.486 -10.749 1.00 87.87 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_403.txt b/protein_pdb_403.txt new file mode 100644 index 0000000000000000000000000000000000000000..11ccdeebd6ecc42ac23c0b576829d05809ad5f53 --- /dev/null +++ b/protein_pdb_403.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 15.232 -1.550 1.416 1.00 91.03 N +ATOM 2 CA GLY A 1 14.498 -0.668 0.554 1.00 92.54 C +ATOM 3 C GLY A 1 13.405 0.067 1.287 1.00 93.34 C +ATOM 4 O GLY A 1 13.061 -0.272 2.412 1.00 92.14 O +ATOM 5 N PRO A 2 12.863 0.993 0.682 1.00 93.93 N +ATOM 6 CA PRO A 2 11.810 1.775 1.300 1.00 94.48 C +ATOM 7 C PRO A 2 10.491 1.026 1.315 1.00 94.43 C +ATOM 8 O PRO A 2 10.323 0.013 0.639 1.00 93.41 O +ATOM 9 CB PRO A 2 11.733 3.007 0.400 1.00 92.22 C +ATOM 10 CG PRO A 2 12.140 2.493 -0.933 1.00 89.28 C +ATOM 11 CD PRO A 2 13.198 1.457 -0.664 1.00 92.21 C +HETATM 12 N HYP A 3 9.584 1.548 2.105 1.00 93.96 N +HETATM 13 CA HYP A 3 8.243 0.969 2.131 1.00 92.29 C +HETATM 14 C HYP A 3 7.572 1.048 0.778 1.00 95.88 C +HETATM 15 O HYP A 3 7.797 2.012 0.021 1.00 94.85 O +HETATM 16 CB HYP A 3 7.482 1.909 3.128 1.00 92.35 C +HETATM 17 CG HYP A 3 8.581 2.469 4.040 1.00 89.54 C +HETATM 18 CD HYP A 3 9.767 2.637 3.033 1.00 92.37 C +HETATM 19 OD1 HYP A 3 8.918 1.460 4.956 1.00 91.57 O +ATOM 20 N GLY A 4 6.839 0.005 0.475 1.00 95.32 N +ATOM 21 CA GLY A 4 6.091 -0.000 -0.757 1.00 95.08 C +ATOM 22 C GLY A 4 4.968 1.026 -0.728 1.00 95.62 C +ATOM 23 O GLY A 4 4.633 1.582 0.316 1.00 95.81 O +ATOM 24 N PRO A 5 4.383 1.282 -1.880 1.00 95.21 N +ATOM 25 CA PRO A 5 3.293 2.242 -1.955 1.00 95.26 C +ATOM 26 C PRO A 5 2.038 1.703 -1.292 1.00 95.01 C +ATOM 27 O PRO A 5 1.903 0.509 -1.052 1.00 94.31 O +ATOM 28 CB PRO A 5 3.091 2.426 -3.459 1.00 94.08 C +ATOM 29 CG PRO A 5 3.524 1.125 -4.034 1.00 92.38 C +ATOM 30 CD PRO A 5 4.660 0.663 -3.170 1.00 94.50 C +HETATM 31 N HYP A 6 1.125 2.644 -0.987 1.00 93.66 N +HETATM 32 CA HYP A 6 -0.145 2.211 -0.461 1.00 95.29 C +HETATM 33 C HYP A 6 -0.846 1.288 -1.390 1.00 95.37 C +HETATM 34 O HYP A 6 -0.700 1.409 -2.633 1.00 94.21 O +HETATM 35 CB HYP A 6 -0.925 3.549 -0.321 1.00 90.73 C +HETATM 36 CG HYP A 6 0.155 4.582 -0.167 1.00 91.01 C +HETATM 37 CD HYP A 6 1.233 4.069 -1.098 1.00 92.23 C +HETATM 38 OD1 HYP A 6 0.638 4.562 1.166 1.00 90.49 O +ATOM 39 N GLY A 7 -1.527 0.329 -0.833 1.00 94.72 N +ATOM 40 CA GLY A 7 -2.304 -0.577 -1.633 1.00 94.59 C +ATOM 41 C GLY A 7 -3.398 0.159 -2.385 1.00 95.14 C +ATOM 42 O GLY A 7 -3.743 1.296 -2.069 1.00 95.04 O +ATOM 43 N PRO A 8 -3.941 -0.492 -3.393 1.00 95.90 N +ATOM 44 CA PRO A 8 -4.994 0.141 -4.169 1.00 96.09 C +ATOM 45 C PRO A 8 -6.280 0.257 -3.370 1.00 96.01 C +ATOM 46 O PRO A 8 -6.493 -0.467 -2.408 1.00 95.29 O +ATOM 47 CB PRO A 8 -5.165 -0.790 -5.366 1.00 94.90 C +ATOM 48 CG PRO A 8 -4.757 -2.114 -4.837 1.00 93.35 C +ATOM 49 CD PRO A 8 -3.647 -1.838 -3.860 1.00 95.23 C +HETATM 50 N HYP A 9 -7.127 1.181 -3.798 1.00 94.35 N +HETATM 51 CA HYP A 9 -8.398 1.298 -3.184 1.00 94.45 C +HETATM 52 C HYP A 9 -9.212 0.059 -3.380 1.00 94.95 C +HETATM 53 O HYP A 9 -9.218 -0.511 -4.474 1.00 94.87 O +HETATM 54 CB HYP A 9 -9.053 2.483 -3.964 1.00 91.61 C +HETATM 55 CG HYP A 9 -7.913 3.237 -4.561 1.00 89.80 C +HETATM 56 CD HYP A 9 -6.916 2.187 -4.851 1.00 93.48 C +HETATM 57 OD1 HYP A 9 -7.366 4.105 -3.599 1.00 91.27 O +ATOM 58 N GLY A 10 -9.839 -0.471 -2.368 1.00 94.60 N +ATOM 59 CA GLY A 10 -10.774 -1.554 -2.517 1.00 93.87 C +ATOM 60 C GLY A 10 -12.053 -1.062 -3.163 1.00 94.80 C +ATOM 61 O GLY A 10 -12.251 0.137 -3.350 1.00 94.47 O +ATOM 62 N PRO A 11 -12.949 -1.985 -3.497 1.00 95.10 N +ATOM 63 CA PRO A 11 -14.225 -1.540 -4.062 1.00 95.23 C +ATOM 64 C PRO A 11 -14.981 -0.599 -3.139 1.00 95.24 C +ATOM 65 O PRO A 11 -15.680 0.303 -3.611 1.00 93.62 O +ATOM 66 CB PRO A 11 -14.995 -2.842 -4.270 1.00 94.21 C +ATOM 67 CG PRO A 11 -13.933 -3.883 -4.378 1.00 93.26 C +ATOM 68 CD PRO A 11 -12.833 -3.435 -3.466 1.00 94.29 C +ATOM 69 N TRP A 12 -14.820 -0.812 -1.840 1.00 94.56 N +ATOM 70 CA TRP A 12 -15.514 -0.005 -0.847 1.00 94.27 C +ATOM 71 C TRP A 12 -14.599 0.481 0.262 1.00 93.62 C +ATOM 72 O TRP A 12 -14.859 1.526 0.853 1.00 92.23 O +ATOM 73 CB TRP A 12 -16.660 -0.812 -0.239 1.00 93.53 C +ATOM 74 CG TRP A 12 -17.619 -1.344 -1.270 1.00 90.27 C +ATOM 75 CD1 TRP A 12 -18.608 -0.651 -1.890 1.00 89.39 C +ATOM 76 CD2 TRP A 12 -17.651 -2.664 -1.821 1.00 90.47 C +ATOM 77 NE1 TRP A 12 -19.268 -1.451 -2.793 1.00 85.88 N +ATOM 78 CE2 TRP A 12 -18.696 -2.699 -2.772 1.00 89.70 C +ATOM 79 CE3 TRP A 12 -16.896 -3.823 -1.612 1.00 87.68 C +ATOM 80 CZ2 TRP A 12 -19.003 -3.836 -3.504 1.00 89.97 C +ATOM 81 CZ3 TRP A 12 -17.202 -4.962 -2.332 1.00 84.71 C +ATOM 82 CH2 TRP A 12 -18.244 -4.961 -3.269 1.00 83.95 C +ATOM 83 N GLY A 13 -13.571 -0.275 0.565 1.00 95.14 N +ATOM 84 CA GLY A 13 -12.707 0.038 1.674 1.00 94.63 C +ATOM 85 C GLY A 13 -11.646 1.067 1.353 1.00 95.40 C +ATOM 86 O GLY A 13 -11.485 1.493 0.212 1.00 95.38 O +ATOM 87 N PRO A 14 -10.897 1.463 2.373 1.00 96.00 N +ATOM 88 CA PRO A 14 -9.826 2.433 2.199 1.00 95.97 C +ATOM 89 C PRO A 14 -8.620 1.822 1.499 1.00 96.02 C +ATOM 90 O PRO A 14 -8.529 0.604 1.340 1.00 95.20 O +ATOM 91 CB PRO A 14 -9.484 2.832 3.629 1.00 94.90 C +ATOM 92 CG PRO A 14 -9.786 1.608 4.424 1.00 93.52 C +ATOM 93 CD PRO A 14 -10.992 0.996 3.760 1.00 94.87 C +HETATM 94 N HYP A 15 -7.691 2.714 1.126 1.00 95.15 N +HETATM 95 CA HYP A 15 -6.457 2.231 0.535 1.00 95.68 C +HETATM 96 C HYP A 15 -5.725 1.311 1.471 1.00 96.19 C +HETATM 97 O HYP A 15 -5.834 1.474 2.720 1.00 94.90 O +HETATM 98 CB HYP A 15 -5.693 3.539 0.296 1.00 92.46 C +HETATM 99 CG HYP A 15 -6.793 4.586 0.150 1.00 90.80 C +HETATM 100 CD HYP A 15 -7.797 4.158 1.187 1.00 93.90 C +HETATM 101 OD1 HYP A 15 -7.359 4.520 -1.121 1.00 91.85 O +ATOM 102 N GLY A 16 -5.045 0.347 0.934 1.00 95.64 N +ATOM 103 CA GLY A 16 -4.250 -0.536 1.743 1.00 95.47 C +ATOM 104 C GLY A 16 -3.090 0.198 2.390 1.00 96.04 C +ATOM 105 O GLY A 16 -2.734 1.306 1.987 1.00 95.75 O +ATOM 106 N PRO A 17 -2.493 -0.428 3.388 1.00 93.63 N +ATOM 107 CA PRO A 17 -1.345 0.176 4.052 1.00 93.67 C +ATOM 108 C PRO A 17 -0.117 0.145 3.158 1.00 93.81 C +ATOM 109 O PRO A 17 -0.073 -0.561 2.160 1.00 93.14 O +ATOM 110 CB PRO A 17 -1.150 -0.699 5.290 1.00 92.37 C +ATOM 111 CG PRO A 17 -1.669 -2.028 4.856 1.00 90.32 C +ATOM 112 CD PRO A 17 -2.821 -1.740 3.940 1.00 92.16 C +HETATM 113 N HYP A 18 0.875 0.964 3.549 1.00 92.48 N +HETATM 114 CA HYP A 18 2.109 0.893 2.840 1.00 91.77 C +HETATM 115 C HYP A 18 2.678 -0.489 2.840 1.00 93.57 C +HETATM 116 O HYP A 18 2.502 -1.236 3.820 1.00 93.23 O +HETATM 117 CB HYP A 18 3.004 1.865 3.625 1.00 88.91 C +HETATM 118 CG HYP A 18 2.054 2.837 4.265 1.00 88.83 C +HETATM 119 CD HYP A 18 0.888 1.932 4.607 1.00 92.27 C +HETATM 120 OD1 HYP A 18 1.621 3.800 3.312 1.00 89.65 O +ATOM 121 N GLY A 19 3.294 -0.860 1.746 1.00 92.63 N +ATOM 122 CA GLY A 19 3.944 -2.140 1.660 1.00 92.68 C +ATOM 123 C GLY A 19 5.102 -2.239 2.630 1.00 93.34 C +ATOM 124 O GLY A 19 5.568 -1.236 3.173 1.00 94.38 O +ATOM 125 N PRO A 20 5.582 -3.449 2.856 1.00 92.01 N +ATOM 126 CA PRO A 20 6.704 -3.631 3.756 1.00 92.67 C +ATOM 127 C PRO A 20 7.992 -3.096 3.150 1.00 92.41 C +ATOM 128 O PRO A 20 8.087 -2.890 1.947 1.00 92.90 O +ATOM 129 CB PRO A 20 6.759 -5.146 3.939 1.00 90.96 C +ATOM 130 CG PRO A 20 6.198 -5.674 2.672 1.00 88.43 C +ATOM 131 CD PRO A 20 5.129 -4.704 2.264 1.00 91.16 C +HETATM 132 N HYP A 21 8.946 -2.868 4.024 1.00 92.45 N +HETATM 133 CA HYP A 21 10.236 -2.469 3.528 1.00 93.57 C +HETATM 134 C HYP A 21 10.832 -3.454 2.559 1.00 93.98 C +HETATM 135 O HYP A 21 10.648 -4.651 2.740 1.00 94.82 O +HETATM 136 CB HYP A 21 11.096 -2.343 4.790 1.00 90.61 C +HETATM 137 CG HYP A 21 10.120 -2.122 5.918 1.00 89.14 C +HETATM 138 CD HYP A 21 8.921 -2.943 5.476 1.00 92.03 C +HETATM 139 OD1 HYP A 21 9.733 -0.748 5.933 1.00 87.90 O +ATOM 140 N GLY A 22 11.439 -2.969 1.526 1.00 93.22 N +ATOM 141 CA GLY A 22 12.125 -3.821 0.600 1.00 92.16 C +ATOM 142 C GLY A 22 13.384 -4.399 1.233 1.00 92.43 C +ATOM 143 O GLY A 22 13.770 -4.030 2.338 1.00 92.89 O +ATOM 144 N PRO A 23 14.060 -5.307 0.536 1.00 93.42 N +ATOM 145 CA PRO A 23 15.303 -5.852 1.063 1.00 92.46 C +ATOM 146 C PRO A 23 16.356 -4.761 1.114 1.00 90.10 C +ATOM 147 O PRO A 23 16.625 -4.110 0.105 1.00 86.01 O +ATOM 148 CB PRO A 23 15.656 -6.951 0.068 1.00 90.26 C +ATOM 149 CG PRO A 23 14.977 -6.550 -1.187 1.00 88.10 C +ATOM 150 CD PRO A 23 13.724 -5.832 -0.774 1.00 91.73 C +HETATM 151 N HYP A 24 16.851 -4.460 2.217 1.00 94.87 N +HETATM 152 CA HYP A 24 17.725 -3.205 2.306 1.00 89.30 C +HETATM 153 C HYP A 24 16.940 -1.964 2.162 1.00 93.97 C +HETATM 154 O HYP A 24 17.467 -0.975 1.526 1.00 90.70 O +HETATM 155 CB HYP A 24 18.233 -3.335 3.749 1.00 89.66 C +HETATM 156 CG HYP A 24 18.169 -4.825 4.122 1.00 90.31 C +HETATM 157 CD HYP A 24 17.072 -5.398 3.256 1.00 92.05 C +HETATM 158 OD1 HYP A 24 19.341 -5.467 3.749 1.00 87.68 O +HETATM 159 OXT HYP A 24 15.932 -1.614 2.977 1.00 86.36 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_404.txt b/protein_pdb_404.txt new file mode 100644 index 0000000000000000000000000000000000000000..eec9c0c605da254e05b19b9d0309a1af5f04f703 --- /dev/null +++ b/protein_pdb_404.txt @@ -0,0 +1,192 @@ +ATOM 1 N GLY A 1 36.334 -7.159 28.823 1.00 94.34 N +ATOM 2 CA GLY A 1 36.737 -7.122 27.415 1.00 94.93 C +ATOM 3 C GLY A 1 36.082 -5.967 26.679 1.00 95.50 C +ATOM 4 O GLY A 1 35.172 -5.333 27.212 1.00 94.26 O +ATOM 5 N PRO A 2 36.515 -5.677 25.447 1.00 97.36 N +ATOM 6 CA PRO A 2 35.932 -4.579 24.682 1.00 97.60 C +ATOM 7 C PRO A 2 34.498 -4.897 24.252 1.00 97.88 C +ATOM 8 O PRO A 2 34.108 -6.062 24.134 1.00 96.96 O +ATOM 9 CB PRO A 2 36.866 -4.448 23.477 1.00 95.81 C +ATOM 10 CG PRO A 2 37.384 -5.834 23.294 1.00 92.65 C +ATOM 11 CD PRO A 2 37.599 -6.334 24.705 1.00 94.56 C +ATOM 12 N ALA A 3 33.720 -3.846 24.014 1.00 97.08 N +ATOM 13 CA ALA A 3 32.333 -4.020 23.575 1.00 97.21 C +ATOM 14 C ALA A 3 32.295 -4.635 22.181 1.00 97.26 C +ATOM 15 O ALA A 3 33.164 -4.375 21.345 1.00 95.49 O +ATOM 16 CB ALA A 3 31.606 -2.684 23.582 1.00 95.39 C +ATOM 17 N GLY A 4 31.289 -5.457 21.927 1.00 98.19 N +ATOM 18 CA GLY A 4 31.158 -6.085 20.624 1.00 97.88 C +ATOM 19 C GLY A 4 30.683 -5.107 19.562 1.00 98.24 C +ATOM 20 O GLY A 4 30.263 -3.987 19.881 1.00 98.33 O +ATOM 21 N PRO A 5 30.721 -5.521 18.283 1.00 98.05 N +ATOM 22 CA PRO A 5 30.292 -4.648 17.190 1.00 97.91 C +ATOM 23 C PRO A 5 28.770 -4.479 17.180 1.00 98.27 C +ATOM 24 O PRO A 5 28.034 -5.286 17.748 1.00 97.96 O +ATOM 25 CB PRO A 5 30.784 -5.375 15.937 1.00 96.86 C +ATOM 26 CG PRO A 5 30.712 -6.815 16.339 1.00 94.95 C +ATOM 27 CD PRO A 5 31.202 -6.809 17.777 1.00 97.04 C +ATOM 28 N ALA A 6 28.301 -3.413 16.511 1.00 97.97 N +ATOM 29 CA ALA A 6 26.874 -3.163 16.401 1.00 97.84 C +ATOM 30 C ALA A 6 26.229 -4.261 15.557 1.00 98.08 C +ATOM 31 O ALA A 6 26.855 -4.810 14.649 1.00 97.32 O +ATOM 32 CB ALA A 6 26.619 -1.798 15.773 1.00 96.59 C +ATOM 33 N GLY A 7 24.973 -4.574 15.854 1.00 98.35 N +ATOM 34 CA GLY A 7 24.269 -5.596 15.102 1.00 98.17 C +ATOM 35 C GLY A 7 23.926 -5.133 13.698 1.00 98.31 C +ATOM 36 O GLY A 7 24.050 -3.952 13.378 1.00 98.39 O +ATOM 37 N PRO A 8 23.472 -6.061 12.844 1.00 98.59 N +ATOM 38 CA PRO A 8 23.123 -5.710 11.468 1.00 98.42 C +ATOM 39 C PRO A 8 21.836 -4.894 11.398 1.00 98.52 C +ATOM 40 O PRO A 8 21.019 -4.902 12.312 1.00 98.37 O +ATOM 41 CB PRO A 8 22.958 -7.070 10.788 1.00 97.82 C +ATOM 42 CG PRO A 8 22.465 -7.939 11.903 1.00 96.23 C +ATOM 43 CD PRO A 8 23.286 -7.489 13.100 1.00 97.96 C +ATOM 44 N VAL A 9 21.678 -4.183 10.275 1.00 98.43 N +ATOM 45 CA VAL A 9 20.474 -3.386 10.046 1.00 98.32 C +ATOM 46 C VAL A 9 19.299 -4.350 9.859 1.00 98.42 C +ATOM 47 O VAL A 9 19.437 -5.392 9.224 1.00 98.11 O +ATOM 48 CB VAL A 9 20.639 -2.485 8.803 1.00 97.65 C +ATOM 49 CG1 VAL A 9 19.354 -1.733 8.506 1.00 92.76 C +ATOM 50 CG2 VAL A 9 21.786 -1.502 9.026 1.00 92.95 C +ATOM 51 N GLY A 10 18.143 -3.992 10.411 1.00 98.48 N +ATOM 52 CA GLY A 10 16.972 -4.839 10.299 1.00 98.22 C +ATOM 53 C GLY A 10 16.426 -4.895 8.879 1.00 98.43 C +ATOM 54 O GLY A 10 16.817 -4.102 8.016 1.00 98.48 O +ATOM 55 N PRO A 11 15.502 -5.829 8.614 1.00 98.59 N +ATOM 56 CA PRO A 11 14.917 -5.971 7.280 1.00 98.50 C +ATOM 57 C PRO A 11 13.994 -4.806 6.938 1.00 98.68 C +ATOM 58 O PRO A 11 13.499 -4.101 7.818 1.00 98.43 O +ATOM 59 CB PRO A 11 14.146 -7.285 7.373 1.00 98.01 C +ATOM 60 CG PRO A 11 13.732 -7.337 8.809 1.00 96.86 C +ATOM 61 CD PRO A 11 14.950 -6.822 9.551 1.00 98.14 C +ATOM 62 N ALA A 12 13.769 -4.608 5.640 1.00 98.45 N +ATOM 63 CA ALA A 12 12.887 -3.548 5.179 1.00 98.40 C +ATOM 64 C ALA A 12 11.455 -3.850 5.607 1.00 98.57 C +ATOM 65 O ALA A 12 11.060 -5.007 5.725 1.00 97.66 O +ATOM 66 CB ALA A 12 12.965 -3.410 3.663 1.00 97.72 C +ATOM 67 N GLY A 13 10.677 -2.801 5.840 1.00 98.38 N +ATOM 68 CA GLY A 13 9.299 -2.970 6.241 1.00 98.10 C +ATOM 69 C GLY A 13 8.452 -3.555 5.125 1.00 98.35 C +ATOM 70 O GLY A 13 8.817 -3.493 3.951 1.00 98.27 O +ATOM 71 N ALA A 14 7.315 -4.127 5.507 1.00 98.33 N +ATOM 72 CA ALA A 14 6.403 -4.724 4.539 1.00 98.32 C +ATOM 73 C ALA A 14 5.734 -3.652 3.690 1.00 98.37 C +ATOM 74 O ALA A 14 5.557 -2.506 4.122 1.00 97.73 O +ATOM 75 CB ALA A 14 5.343 -5.544 5.259 1.00 97.68 C +ATOM 76 N ARG A 15 5.350 -4.027 2.463 1.00 98.57 N +ATOM 77 CA ARG A 15 4.654 -3.101 1.572 1.00 98.49 C +ATOM 78 C ARG A 15 3.284 -2.788 2.153 1.00 98.40 C +ATOM 79 O ARG A 15 2.636 -3.654 2.736 1.00 97.94 O +ATOM 80 CB ARG A 15 4.516 -3.717 0.176 1.00 97.75 C +ATOM 81 CG ARG A 15 3.821 -2.799 -0.821 1.00 95.70 C +ATOM 82 CD ARG A 15 3.760 -3.423 -2.196 1.00 93.15 C +ATOM 83 NE ARG A 15 5.085 -3.678 -2.739 1.00 88.64 N +ATOM 84 CZ ARG A 15 5.319 -4.192 -3.929 1.00 85.26 C +ATOM 85 NH1 ARG A 15 4.314 -4.510 -4.727 1.00 83.19 N +ATOM 86 NH2 ARG A 15 6.555 -4.391 -4.326 1.00 82.47 N +ATOM 87 N GLY A 16 2.850 -1.553 1.982 1.00 98.43 N +ATOM 88 CA GLY A 16 1.555 -1.149 2.488 1.00 98.14 C +ATOM 89 C GLY A 16 0.415 -1.845 1.752 1.00 98.24 C +ATOM 90 O GLY A 16 0.621 -2.445 0.700 1.00 98.25 O +ATOM 91 N PRO A 17 -0.804 -1.760 2.301 1.00 98.39 N +ATOM 92 CA PRO A 17 -1.961 -2.402 1.671 1.00 98.21 C +ATOM 93 C PRO A 17 -2.362 -1.706 0.379 1.00 98.39 C +ATOM 94 O PRO A 17 -2.020 -0.548 0.137 1.00 98.11 O +ATOM 95 CB PRO A 17 -3.048 -2.280 2.740 1.00 97.38 C +ATOM 96 CG PRO A 17 -2.698 -1.014 3.442 1.00 96.08 C +ATOM 97 CD PRO A 17 -1.189 -1.064 3.540 1.00 97.57 C +ATOM 98 N ALA A 18 -3.094 -2.434 -0.461 1.00 98.16 N +ATOM 99 CA ALA A 18 -3.576 -1.868 -1.713 1.00 98.24 C +ATOM 100 C ALA A 18 -4.582 -0.766 -1.403 1.00 98.38 C +ATOM 101 O ALA A 18 -5.275 -0.805 -0.388 1.00 97.67 O +ATOM 102 CB ALA A 18 -4.236 -2.949 -2.568 1.00 97.21 C +ATOM 103 N GLY A 19 -4.654 0.219 -2.290 1.00 98.39 N +ATOM 104 CA GLY A 19 -5.583 1.317 -2.097 1.00 98.15 C +ATOM 105 C GLY A 19 -7.018 0.865 -2.279 1.00 98.30 C +ATOM 106 O GLY A 19 -7.278 -0.245 -2.746 1.00 98.32 O +ATOM 107 N PRO A 20 -7.975 1.727 -1.919 1.00 98.21 N +ATOM 108 CA PRO A 20 -9.387 1.384 -2.042 1.00 98.26 C +ATOM 109 C PRO A 20 -9.831 1.325 -3.497 1.00 98.42 C +ATOM 110 O PRO A 20 -9.197 1.901 -4.374 1.00 98.24 O +ATOM 111 CB PRO A 20 -10.086 2.516 -1.287 1.00 97.37 C +ATOM 112 CG PRO A 20 -9.166 3.671 -1.475 1.00 95.80 C +ATOM 113 CD PRO A 20 -7.788 3.065 -1.344 1.00 97.48 C +HETATM 114 N HYP A 21 -10.930 0.655 -3.753 1.00 98.29 N +HETATM 115 CA HYP A 21 -11.501 0.570 -5.057 1.00 97.97 C +HETATM 116 C HYP A 21 -11.861 1.952 -5.574 1.00 98.38 C +HETATM 117 O HYP A 21 -12.221 2.815 -4.759 1.00 97.80 O +HETATM 118 CB HYP A 21 -12.773 -0.270 -4.840 1.00 97.41 C +HETATM 119 CG HYP A 21 -12.471 -1.087 -3.610 1.00 96.78 C +HETATM 120 CD HYP A 21 -11.675 -0.173 -2.780 1.00 97.47 C +HETATM 121 OD1 HYP A 21 -11.707 -2.233 -3.918 1.00 96.32 O +ATOM 122 N GLY A 22 -11.766 2.139 -6.848 1.00 98.11 N +ATOM 123 CA GLY A 22 -12.129 3.411 -7.415 1.00 97.95 C +ATOM 124 C GLY A 22 -13.625 3.640 -7.279 1.00 98.22 C +ATOM 125 O GLY A 22 -14.375 2.723 -6.945 1.00 98.09 O +ATOM 126 N PRO A 23 -14.081 4.869 -7.554 1.00 98.01 N +ATOM 127 CA PRO A 23 -15.502 5.177 -7.440 1.00 98.08 C +ATOM 128 C PRO A 23 -16.309 4.472 -8.517 1.00 98.13 C +ATOM 129 O PRO A 23 -15.791 4.118 -9.570 1.00 97.89 O +ATOM 130 CB PRO A 23 -15.543 6.694 -7.598 1.00 97.01 C +ATOM 131 CG PRO A 23 -14.355 6.976 -8.458 1.00 95.38 C +ATOM 132 CD PRO A 23 -13.295 6.032 -7.945 1.00 97.22 C +HETATM 133 N HYP A 24 -17.576 4.300 -8.272 1.00 98.07 N +HETATM 134 CA HYP A 24 -18.479 3.710 -9.235 1.00 97.48 C +HETATM 135 C HYP A 24 -18.510 4.564 -10.509 1.00 97.95 C +HETATM 136 O HYP A 24 -18.365 5.779 -10.434 1.00 97.20 O +HETATM 137 CB HYP A 24 -19.861 3.791 -8.514 1.00 96.48 C +HETATM 138 CG HYP A 24 -19.531 3.773 -7.041 1.00 95.27 C +HETATM 139 CD HYP A 24 -18.248 4.571 -6.974 1.00 96.86 C +HETATM 140 OD1 HYP A 24 -19.278 2.470 -6.582 1.00 94.79 O +ATOM 141 N GLY A 25 -18.716 3.893 -11.628 1.00 97.42 N +ATOM 142 CA GLY A 25 -18.803 4.612 -12.873 1.00 97.29 C +ATOM 143 C GLY A 25 -20.051 5.472 -12.892 1.00 97.40 C +ATOM 144 O GLY A 25 -20.918 5.362 -12.024 1.00 97.32 O +ATOM 145 N PRO A 26 -20.170 6.348 -13.896 1.00 97.42 N +ATOM 146 CA PRO A 26 -21.331 7.230 -13.984 1.00 97.26 C +ATOM 147 C PRO A 26 -22.600 6.446 -14.283 1.00 97.43 C +ATOM 148 O PRO A 26 -22.554 5.363 -14.848 1.00 96.93 O +ATOM 149 CB PRO A 26 -20.956 8.181 -15.116 1.00 95.87 C +ATOM 150 CG PRO A 26 -20.045 7.365 -15.964 1.00 94.26 C +ATOM 151 CD PRO A 26 -19.216 6.589 -14.976 1.00 96.55 C +HETATM 152 N HYP A 27 -23.755 7.013 -13.930 1.00 97.38 N +HETATM 153 CA HYP A 27 -25.010 6.369 -14.203 1.00 96.28 C +HETATM 154 C HYP A 27 -25.251 6.251 -15.698 1.00 97.18 C +HETATM 155 O HYP A 27 -24.791 7.085 -16.469 1.00 96.51 O +HETATM 156 CB HYP A 27 -26.040 7.464 -13.650 1.00 95.45 C +HETATM 157 CG HYP A 27 -25.286 8.238 -12.576 1.00 94.13 C +HETATM 158 CD HYP A 27 -23.867 8.275 -13.124 1.00 95.75 C +HETATM 159 OD1 HYP A 27 -25.273 7.517 -11.353 1.00 93.25 O +ATOM 160 N GLY A 28 -25.932 5.178 -16.076 1.00 95.34 N +ATOM 161 CA GLY A 28 -26.225 4.994 -17.472 1.00 95.17 C +ATOM 162 C GLY A 28 -27.203 6.052 -17.944 1.00 95.74 C +ATOM 163 O GLY A 28 -27.776 6.791 -17.144 1.00 95.50 O +ATOM 164 N PRO A 29 -27.439 6.129 -19.259 1.00 96.01 N +ATOM 165 CA PRO A 29 -28.367 7.118 -19.795 1.00 95.89 C +ATOM 166 C PRO A 29 -29.794 6.800 -19.374 1.00 96.03 C +ATOM 167 O PRO A 29 -30.132 5.655 -19.093 1.00 95.31 O +ATOM 168 CB PRO A 29 -28.169 7.012 -21.299 1.00 93.90 C +ATOM 169 CG PRO A 29 -27.726 5.599 -21.480 1.00 92.51 C +ATOM 170 CD PRO A 29 -26.816 5.331 -20.307 1.00 94.97 C +HETATM 171 N HYP A 30 -30.696 7.852 -19.352 1.00 96.47 N +HETATM 172 CA HYP A 30 -32.046 7.609 -18.988 1.00 95.08 C +HETATM 173 C HYP A 30 -32.727 6.731 -19.964 1.00 95.45 C +HETATM 174 O HYP A 30 -32.443 6.800 -21.146 1.00 94.54 O +HETATM 175 CB HYP A 30 -32.670 9.109 -19.076 1.00 93.46 C +HETATM 176 CG HYP A 30 -31.499 10.044 -18.861 1.00 92.53 C +HETATM 177 CD HYP A 30 -30.337 9.278 -19.497 1.00 94.29 C +HETATM 178 OD1 HYP A 30 -31.230 10.179 -17.476 1.00 91.07 O +ATOM 179 N GLY A 31 -33.633 5.806 -19.427 1.00 91.69 N +ATOM 180 CA GLY A 31 -34.313 4.852 -20.271 1.00 89.87 C +ATOM 181 C GLY A 31 -35.222 5.539 -21.281 1.00 88.64 C +ATOM 182 O GLY A 31 -35.655 6.679 -21.075 1.00 85.05 O +ATOM 183 N VAL A 32 -35.530 4.825 -22.380 1.00 95.41 N +ATOM 184 CA VAL A 32 -36.423 5.333 -23.425 1.00 94.01 C +ATOM 185 C VAL A 32 -37.503 4.316 -23.756 1.00 91.46 C +ATOM 186 O VAL A 32 -38.512 4.688 -24.374 1.00 88.34 O +ATOM 187 CB VAL A 32 -35.641 5.699 -24.710 1.00 88.07 C +ATOM 188 CG1 VAL A 32 -34.710 6.862 -24.435 1.00 79.35 C +ATOM 189 CG2 VAL A 32 -34.855 4.489 -25.205 1.00 82.08 C +ATOM 190 OXT VAL A 32 -37.376 3.131 -23.389 1.00 78.78 O +TER 191 VAL A 32 +END diff --git a/protein_pdb_405.txt b/protein_pdb_405.txt new file mode 100644 index 0000000000000000000000000000000000000000..300e131c24f9dfca83d8604eb32795aa38a80d57 --- /dev/null +++ b/protein_pdb_405.txt @@ -0,0 +1,192 @@ +ATOM 1 N GLY A 1 -19.715 37.079 -12.704 1.00 89.84 N +ATOM 2 CA GLY A 1 -20.450 35.918 -12.191 1.00 90.83 C +ATOM 3 C GLY A 1 -19.637 35.166 -11.160 1.00 91.40 C +ATOM 4 O GLY A 1 -18.479 35.493 -10.915 1.00 88.25 O +ATOM 5 N PRO A 2 -20.209 34.118 -10.542 1.00 94.63 N +ATOM 6 CA PRO A 2 -19.486 33.332 -9.542 1.00 95.09 C +ATOM 7 C PRO A 2 -18.371 32.513 -10.177 1.00 95.34 C +ATOM 8 O PRO A 2 -18.395 32.229 -11.369 1.00 93.39 O +ATOM 9 CB PRO A 2 -20.574 32.438 -8.944 1.00 92.32 C +ATOM 10 CG PRO A 2 -21.512 32.255 -10.093 1.00 90.03 C +ATOM 11 CD PRO A 2 -21.565 33.621 -10.733 1.00 92.12 C +HETATM 12 N HYP A 3 -17.401 32.168 -9.395 1.00 95.18 N +HETATM 13 CA HYP A 3 -16.330 31.316 -9.816 1.00 92.56 C +HETATM 14 C HYP A 3 -16.861 29.965 -10.355 1.00 94.56 C +HETATM 15 O HYP A 3 -17.865 29.451 -9.834 1.00 94.12 O +HETATM 16 CB HYP A 3 -15.480 31.077 -8.565 1.00 91.70 C +HETATM 17 CG HYP A 3 -15.820 32.234 -7.668 1.00 90.80 C +HETATM 18 CD HYP A 3 -17.288 32.539 -7.978 1.00 92.49 C +HETATM 19 OD1 HYP A 3 -15.030 33.353 -7.951 1.00 92.28 O +ATOM 20 N GLY A 4 -16.171 29.447 -11.353 1.00 96.80 N +ATOM 21 CA GLY A 4 -16.589 28.183 -11.894 1.00 96.38 C +ATOM 22 C GLY A 4 -16.316 27.072 -10.892 1.00 96.44 C +ATOM 23 O GLY A 4 -15.645 27.286 -9.876 1.00 95.89 O +ATOM 24 N PRO A 5 -16.824 25.851 -11.167 1.00 95.91 N +ATOM 25 CA PRO A 5 -16.611 24.731 -10.253 1.00 95.78 C +ATOM 26 C PRO A 5 -15.161 24.287 -10.237 1.00 95.84 C +ATOM 27 O PRO A 5 -14.418 24.513 -11.188 1.00 94.89 O +ATOM 28 CB PRO A 5 -17.547 23.657 -10.810 1.00 93.66 C +ATOM 29 CG PRO A 5 -17.561 23.964 -12.274 1.00 91.86 C +ATOM 30 CD PRO A 5 -17.616 25.474 -12.326 1.00 94.42 C +HETATM 31 N HYP A 6 -14.756 23.636 -9.157 1.00 95.87 N +HETATM 32 CA HYP A 6 -13.419 23.079 -9.069 1.00 95.26 C +HETATM 33 C HYP A 6 -13.185 22.014 -10.146 1.00 95.48 C +HETATM 34 O HYP A 6 -14.140 21.333 -10.542 1.00 94.77 O +HETATM 35 CB HYP A 6 -13.420 22.378 -7.649 1.00 92.69 C +HETATM 36 CG HYP A 6 -14.473 23.129 -6.869 1.00 91.22 C +HETATM 37 CD HYP A 6 -15.537 23.468 -7.933 1.00 94.09 C +HETATM 38 OD1 HYP A 6 -13.951 24.317 -6.328 1.00 90.79 O +ATOM 39 N GLY A 7 -11.958 21.922 -10.605 1.00 95.84 N +ATOM 40 CA GLY A 7 -11.649 20.948 -11.621 1.00 95.67 C +ATOM 41 C GLY A 7 -11.763 19.545 -11.047 1.00 96.01 C +ATOM 42 O GLY A 7 -11.878 19.359 -9.835 1.00 95.81 O +ATOM 43 N PRO A 8 -11.712 18.527 -11.920 1.00 96.04 N +ATOM 44 CA PRO A 8 -11.814 17.148 -11.461 1.00 96.27 C +ATOM 45 C PRO A 8 -10.580 16.734 -10.662 1.00 96.62 C +ATOM 46 O PRO A 8 -9.502 17.294 -10.834 1.00 95.83 O +ATOM 47 CB PRO A 8 -11.951 16.352 -12.756 1.00 94.45 C +ATOM 48 CG PRO A 8 -11.198 17.195 -13.735 1.00 92.27 C +ATOM 49 CD PRO A 8 -11.580 18.613 -13.368 1.00 94.59 C +HETATM 50 N HYP A 9 -10.740 15.728 -9.813 1.00 95.89 N +HETATM 51 CA HYP A 9 -9.603 15.201 -9.062 1.00 96.19 C +HETATM 52 C HYP A 9 -8.612 14.586 -10.001 1.00 95.57 C +HETATM 53 O HYP A 9 -8.941 14.093 -11.061 1.00 94.78 O +HETATM 54 CB HYP A 9 -10.273 14.008 -8.235 1.00 93.25 C +HETATM 55 CG HYP A 9 -11.696 14.363 -8.115 1.00 91.46 C +HETATM 56 CD HYP A 9 -11.988 15.082 -9.442 1.00 93.87 C +HETATM 57 OD1 HYP A 9 -11.929 15.283 -7.054 1.00 91.23 O +ATOM 58 N GLY A 10 -7.317 14.674 -9.593 1.00 96.20 N +ATOM 59 CA GLY A 10 -6.266 14.111 -10.403 1.00 95.99 C +ATOM 60 C GLY A 10 -6.377 12.595 -10.435 1.00 96.43 C +ATOM 61 O GLY A 10 -7.152 12.003 -9.680 1.00 96.38 O +ATOM 62 N PRO A 11 -5.581 11.948 -11.298 1.00 96.34 N +ATOM 63 CA PRO A 11 -5.616 10.487 -11.385 1.00 96.58 C +ATOM 64 C PRO A 11 -5.043 9.844 -10.127 1.00 96.73 C +ATOM 65 O PRO A 11 -4.253 10.450 -9.412 1.00 96.12 O +ATOM 66 CB PRO A 11 -4.770 10.192 -12.622 1.00 94.99 C +ATOM 67 CG PRO A 11 -3.804 11.335 -12.631 1.00 93.27 C +ATOM 68 CD PRO A 11 -4.643 12.526 -12.239 1.00 95.18 C +HETATM 69 N HYP A 12 -5.427 8.613 -9.857 1.00 96.35 N +HETATM 70 CA HYP A 12 -4.847 7.871 -8.754 1.00 95.76 C +HETATM 71 C HYP A 12 -3.395 7.690 -8.928 1.00 96.37 C +HETATM 72 O HYP A 12 -2.903 7.579 -10.023 1.00 95.04 O +HETATM 73 CB HYP A 12 -5.581 6.477 -8.868 1.00 94.09 C +HETATM 74 CG HYP A 12 -6.869 6.765 -9.527 1.00 92.16 C +HETATM 75 CD HYP A 12 -6.490 7.875 -10.476 1.00 94.77 C +HETATM 76 OD1 HYP A 12 -7.845 7.226 -8.631 1.00 92.40 O +ATOM 77 N GLY A 13 -2.652 7.672 -7.786 1.00 96.04 N +ATOM 78 CA GLY A 13 -1.222 7.494 -7.815 1.00 95.69 C +ATOM 79 C GLY A 13 -0.872 6.092 -8.300 1.00 96.24 C +ATOM 80 O GLY A 13 -1.745 5.227 -8.417 1.00 96.50 O +ATOM 81 N PRO A 14 0.422 5.855 -8.563 1.00 96.97 N +ATOM 82 CA PRO A 14 0.848 4.534 -9.020 1.00 97.02 C +ATOM 83 C PRO A 14 0.711 3.487 -7.923 1.00 97.17 C +ATOM 84 O PRO A 14 0.711 3.797 -6.735 1.00 96.27 O +ATOM 85 CB PRO A 14 2.313 4.759 -9.415 1.00 95.56 C +ATOM 86 CG PRO A 14 2.737 5.841 -8.487 1.00 94.03 C +ATOM 87 CD PRO A 14 1.548 6.783 -8.456 1.00 96.02 C +ATOM 88 N ALA A 15 0.606 2.226 -8.341 1.00 96.87 N +ATOM 89 CA ALA A 15 0.496 1.128 -7.385 1.00 97.00 C +ATOM 90 C ALA A 15 1.791 1.055 -6.575 1.00 97.25 C +ATOM 91 O ALA A 15 2.871 1.335 -7.088 1.00 95.65 O +ATOM 92 CB ALA A 15 0.258 -0.192 -8.120 1.00 95.33 C +ATOM 93 N GLY A 16 1.672 0.683 -5.305 1.00 96.58 N +ATOM 94 CA GLY A 16 2.846 0.577 -4.462 1.00 96.07 C +ATOM 95 C GLY A 16 3.722 -0.592 -4.887 1.00 96.64 C +ATOM 96 O GLY A 16 3.302 -1.431 -5.688 1.00 97.10 O +ATOM 97 N PRO A 17 4.937 -0.657 -4.343 1.00 96.49 N +ATOM 98 CA PRO A 17 5.845 -1.747 -4.699 1.00 96.11 C +ATOM 99 C PRO A 17 5.350 -3.078 -4.140 1.00 96.39 C +ATOM 100 O PRO A 17 4.576 -3.122 -3.177 1.00 95.20 O +ATOM 101 CB PRO A 17 7.169 -1.321 -4.066 1.00 94.53 C +ATOM 102 CG PRO A 17 6.729 -0.540 -2.870 1.00 93.52 C +ATOM 103 CD PRO A 17 5.556 0.270 -3.385 1.00 95.50 C +ATOM 104 N ALA A 18 5.802 -4.159 -4.758 1.00 94.96 N +ATOM 105 CA ALA A 18 5.427 -5.486 -4.297 1.00 95.34 C +ATOM 106 C ALA A 18 5.978 -5.693 -2.886 1.00 95.08 C +ATOM 107 O ALA A 18 7.025 -5.165 -2.534 1.00 91.75 O +ATOM 108 CB ALA A 18 5.993 -6.553 -5.232 1.00 93.17 C +ATOM 109 N GLY A 19 5.244 -6.457 -2.078 1.00 94.79 N +ATOM 110 CA GLY A 19 5.689 -6.720 -0.724 1.00 93.85 C +ATOM 111 C GLY A 19 6.960 -7.556 -0.714 1.00 93.90 C +ATOM 112 O GLY A 19 7.335 -8.139 -1.725 1.00 94.57 O +ATOM 113 N PRO A 20 7.631 -7.629 0.445 1.00 95.19 N +ATOM 114 CA PRO A 20 8.862 -8.407 0.537 1.00 94.33 C +ATOM 115 C PRO A 20 8.603 -9.904 0.415 1.00 94.42 C +ATOM 116 O PRO A 20 7.512 -10.393 0.713 1.00 92.36 O +ATOM 117 CB PRO A 20 9.413 -8.032 1.917 1.00 92.08 C +ATOM 118 CG PRO A 20 8.167 -7.766 2.707 1.00 91.83 C +ATOM 119 CD PRO A 20 7.291 -7.000 1.731 1.00 94.14 C +ATOM 120 N VAL A 21 9.622 -10.624 -0.029 1.00 91.43 N +ATOM 121 CA VAL A 21 9.528 -12.079 -0.137 1.00 90.51 C +ATOM 122 C VAL A 21 9.405 -12.642 1.277 1.00 89.42 C +ATOM 123 O VAL A 21 10.058 -12.157 2.203 1.00 86.82 O +ATOM 124 CB VAL A 21 10.780 -12.655 -0.838 1.00 87.39 C +ATOM 125 CG1 VAL A 21 10.707 -14.175 -0.870 1.00 81.65 C +ATOM 126 CG2 VAL A 21 10.884 -12.098 -2.255 1.00 82.43 C +ATOM 127 N GLY A 22 8.568 -13.644 1.438 1.00 90.85 N +ATOM 128 CA GLY A 22 8.383 -14.242 2.751 1.00 89.13 C +ATOM 129 C GLY A 22 9.656 -14.927 3.239 1.00 88.62 C +ATOM 130 O GLY A 22 10.577 -15.181 2.455 1.00 89.15 O +ATOM 131 N PRO A 23 9.718 -15.252 4.532 1.00 90.79 N +ATOM 132 CA PRO A 23 10.908 -15.904 5.080 1.00 90.10 C +ATOM 133 C PRO A 23 11.072 -17.313 4.524 1.00 90.28 C +ATOM 134 O PRO A 23 10.109 -17.957 4.111 1.00 88.42 O +ATOM 135 CB PRO A 23 10.649 -15.905 6.584 1.00 87.08 C +ATOM 136 CG PRO A 23 9.155 -15.982 6.671 1.00 87.69 C +ATOM 137 CD PRO A 23 8.694 -15.044 5.575 1.00 89.75 C +ATOM 138 N ALA A 24 12.312 -17.774 4.523 1.00 86.87 N +ATOM 139 CA ALA A 24 12.595 -19.117 4.045 1.00 88.14 C +ATOM 140 C ALA A 24 11.917 -20.130 4.961 1.00 87.75 C +ATOM 141 O ALA A 24 11.779 -19.899 6.164 1.00 82.98 O +ATOM 142 CB ALA A 24 14.100 -19.368 4.015 1.00 83.87 C +ATOM 143 N GLY A 25 11.488 -21.232 4.382 1.00 86.79 N +ATOM 144 CA GLY A 25 10.843 -22.257 5.176 1.00 86.11 C +ATOM 145 C GLY A 25 11.810 -22.861 6.188 1.00 85.48 C +ATOM 146 O GLY A 25 13.028 -22.817 6.011 1.00 84.96 O +ATOM 147 N ALA A 26 11.246 -23.416 7.257 1.00 85.32 N +ATOM 148 CA ALA A 26 12.070 -24.033 8.287 1.00 85.74 C +ATOM 149 C ALA A 26 12.768 -25.276 7.735 1.00 84.25 C +ATOM 150 O ALA A 26 12.222 -25.979 6.881 1.00 80.39 O +ATOM 151 CB ALA A 26 11.207 -24.414 9.488 1.00 80.97 C +ATOM 152 N ARG A 27 13.969 -25.526 8.237 1.00 85.78 N +ATOM 153 CA ARG A 27 14.707 -26.704 7.790 1.00 85.78 C +ATOM 154 C ARG A 27 13.960 -27.951 8.249 1.00 83.63 C +ATOM 155 O ARG A 27 13.417 -27.991 9.352 1.00 78.29 O +ATOM 156 CB ARG A 27 16.128 -26.692 8.378 1.00 79.28 C +ATOM 157 CG ARG A 27 16.975 -27.862 7.903 1.00 73.73 C +ATOM 158 CD ARG A 27 18.403 -27.757 8.413 1.00 71.34 C +ATOM 159 NE ARG A 27 18.481 -27.819 9.857 1.00 67.43 N +ATOM 160 CZ ARG A 27 19.595 -27.629 10.559 1.00 63.25 C +ATOM 161 NH1 ARG A 27 20.735 -27.372 9.937 1.00 60.20 N +ATOM 162 NH2 ARG A 27 19.560 -27.710 11.877 1.00 57.95 N +ATOM 163 N GLY A 28 13.919 -28.938 7.399 1.00 88.14 N +ATOM 164 CA GLY A 28 13.235 -30.172 7.741 1.00 87.13 C +ATOM 165 C GLY A 28 13.926 -30.894 8.887 1.00 87.04 C +ATOM 166 O GLY A 28 15.078 -30.598 9.218 1.00 86.94 O +ATOM 167 N PRO A 29 13.233 -31.864 9.507 1.00 87.26 N +ATOM 168 CA PRO A 29 13.835 -32.602 10.620 1.00 87.31 C +ATOM 169 C PRO A 29 15.012 -33.447 10.143 1.00 86.29 C +ATOM 170 O PRO A 29 15.092 -33.840 8.984 1.00 82.73 O +ATOM 171 CB PRO A 29 12.678 -33.458 11.142 1.00 81.99 C +ATOM 172 CG PRO A 29 11.852 -33.693 9.917 1.00 80.70 C +ATOM 173 CD PRO A 29 11.873 -32.350 9.212 1.00 82.78 C +ATOM 174 N ALA A 30 15.924 -33.702 11.062 1.00 85.87 N +ATOM 175 CA ALA A 30 17.089 -34.506 10.734 1.00 87.14 C +ATOM 176 C ALA A 30 16.651 -35.906 10.327 1.00 85.65 C +ATOM 177 O ALA A 30 15.702 -36.456 10.888 1.00 78.90 O +ATOM 178 CB ALA A 30 18.035 -34.587 11.933 1.00 81.60 C +ATOM 179 N GLY A 31 17.348 -36.458 9.345 1.00 84.09 N +ATOM 180 CA GLY A 31 17.010 -37.789 8.892 1.00 81.53 C +ATOM 181 C GLY A 31 17.343 -38.828 9.946 1.00 79.69 C +ATOM 182 O GLY A 31 18.159 -38.584 10.836 1.00 75.74 O +ATOM 183 N VAL A 32 16.688 -39.988 9.839 1.00 88.11 N +ATOM 184 CA VAL A 32 16.926 -41.085 10.781 1.00 86.41 C +ATOM 185 C VAL A 32 17.342 -42.348 10.046 1.00 81.76 C +ATOM 186 O VAL A 32 17.816 -43.295 10.696 1.00 75.21 O +ATOM 187 CB VAL A 32 15.673 -41.377 11.649 1.00 75.99 C +ATOM 188 CG1 VAL A 32 15.345 -40.158 12.496 1.00 65.96 C +ATOM 189 CG2 VAL A 32 14.476 -41.717 10.761 1.00 69.57 C +ATOM 190 OXT VAL A 32 17.221 -42.425 8.820 1.00 67.54 O +TER 191 VAL A 32 +END diff --git a/protein_pdb_406.txt b/protein_pdb_406.txt new file mode 100644 index 0000000000000000000000000000000000000000..85e658a4191922301ca2f6d4ac5ac37286b29e92 --- /dev/null +++ b/protein_pdb_406.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -17.897 -19.340 -32.431 1.00 88.34 N +ATOM 2 CA GLY A 1 -18.436 -18.134 -31.796 1.00 89.91 C +ATOM 3 C GLY A 1 -17.337 -17.163 -31.423 1.00 89.39 C +ATOM 4 O GLY A 1 -16.153 -17.525 -31.434 1.00 87.36 O +ATOM 5 N ALA A 2 -17.695 -15.938 -31.101 1.00 91.74 N +ATOM 6 CA ALA A 2 -16.724 -14.930 -30.716 1.00 94.39 C +ATOM 7 C ALA A 2 -16.097 -15.251 -29.369 1.00 94.33 C +ATOM 8 O ALA A 2 -16.723 -15.889 -28.511 1.00 90.91 O +ATOM 9 CB ALA A 2 -17.396 -13.548 -30.656 1.00 90.22 C +ATOM 10 N ALA A 3 -14.844 -14.796 -29.180 1.00 92.52 N +ATOM 11 CA ALA A 3 -14.158 -15.015 -27.911 1.00 94.34 C +ATOM 12 C ALA A 3 -14.854 -14.198 -26.821 1.00 94.45 C +ATOM 13 O ALA A 3 -15.436 -13.143 -27.086 1.00 90.97 O +ATOM 14 CB ALA A 3 -12.697 -14.593 -28.018 1.00 90.32 C +ATOM 15 N GLY A 4 -14.806 -14.692 -25.604 1.00 95.99 N +ATOM 16 CA GLY A 4 -15.415 -13.976 -24.492 1.00 95.45 C +ATOM 17 C GLY A 4 -14.617 -12.724 -24.148 1.00 95.80 C +ATOM 18 O GLY A 4 -13.497 -12.537 -24.634 1.00 95.95 O +ATOM 19 N PRO A 5 -15.166 -11.853 -23.301 1.00 95.35 N +ATOM 20 CA PRO A 5 -14.462 -10.629 -22.919 1.00 95.52 C +ATOM 21 C PRO A 5 -13.264 -10.923 -22.024 1.00 95.79 C +ATOM 22 O PRO A 5 -13.192 -11.970 -21.376 1.00 94.62 O +ATOM 23 CB PRO A 5 -15.532 -9.823 -22.177 1.00 93.49 C +ATOM 24 CG PRO A 5 -16.396 -10.883 -21.566 1.00 91.77 C +ATOM 25 CD PRO A 5 -16.478 -11.952 -22.641 1.00 94.06 C +ATOM 26 N ALA A 6 -12.333 -9.982 -21.994 1.00 95.89 N +ATOM 27 CA ALA A 6 -11.166 -10.126 -21.139 1.00 96.12 C +ATOM 28 C ALA A 6 -11.617 -10.061 -19.676 1.00 96.48 C +ATOM 29 O ALA A 6 -12.617 -9.425 -19.345 1.00 94.47 O +ATOM 30 CB ALA A 6 -10.156 -9.015 -21.425 1.00 93.63 C +ATOM 31 N GLY A 7 -10.885 -10.731 -18.807 1.00 96.85 N +ATOM 32 CA GLY A 7 -11.217 -10.712 -17.392 1.00 96.33 C +ATOM 33 C GLY A 7 -10.976 -9.342 -16.776 1.00 96.67 C +ATOM 34 O GLY A 7 -10.281 -8.503 -17.345 1.00 96.57 O +ATOM 35 N ALA A 8 -11.562 -9.123 -15.618 1.00 96.80 N +ATOM 36 CA ALA A 8 -11.399 -7.861 -14.912 1.00 96.96 C +ATOM 37 C ALA A 8 -9.973 -7.709 -14.396 1.00 97.12 C +ATOM 38 O ALA A 8 -9.284 -8.700 -14.134 1.00 95.73 O +ATOM 39 CB ALA A 8 -12.379 -7.780 -13.742 1.00 95.07 C +ATOM 40 N ALA A 9 -9.531 -6.458 -14.242 1.00 96.63 N +ATOM 41 CA ALA A 9 -8.200 -6.197 -13.710 1.00 96.93 C +ATOM 42 C ALA A 9 -8.158 -6.657 -12.258 1.00 97.19 C +ATOM 43 O ALA A 9 -9.175 -6.654 -11.554 1.00 94.95 O +ATOM 44 CB ALA A 9 -7.880 -4.710 -13.790 1.00 95.00 C +ATOM 45 N GLY A 10 -6.988 -7.058 -11.818 1.00 97.47 N +ATOM 46 CA GLY A 10 -6.828 -7.496 -10.437 1.00 97.18 C +ATOM 47 C GLY A 10 -6.914 -6.323 -9.467 1.00 97.34 C +ATOM 48 O GLY A 10 -6.936 -5.165 -9.883 1.00 97.21 O +ATOM 49 N PRO A 11 -6.952 -6.612 -8.173 1.00 97.68 N +ATOM 50 CA PRO A 11 -7.047 -5.546 -7.172 1.00 97.22 C +ATOM 51 C PRO A 11 -5.747 -4.762 -7.053 1.00 97.48 C +ATOM 52 O PRO A 11 -4.675 -5.233 -7.437 1.00 96.52 O +ATOM 53 CB PRO A 11 -7.359 -6.305 -5.880 1.00 95.62 C +ATOM 54 CG PRO A 11 -6.674 -7.613 -6.085 1.00 94.41 C +ATOM 55 CD PRO A 11 -6.926 -7.941 -7.544 1.00 96.47 C +ATOM 56 N ALA A 12 -5.854 -3.548 -6.517 1.00 97.17 N +ATOM 57 CA ALA A 12 -4.677 -2.732 -6.290 1.00 97.03 C +ATOM 58 C ALA A 12 -3.818 -3.403 -5.221 1.00 97.18 C +ATOM 59 O ALA A 12 -4.331 -4.126 -4.363 1.00 95.72 O +ATOM 60 CB ALA A 12 -5.083 -1.336 -5.824 1.00 95.44 C +ATOM 61 N GLY A 13 -2.519 -3.157 -5.284 1.00 97.49 N +ATOM 62 CA GLY A 13 -1.622 -3.735 -4.296 1.00 97.07 C +ATOM 63 C GLY A 13 -1.795 -3.075 -2.937 1.00 97.33 C +ATOM 64 O GLY A 13 -2.505 -2.075 -2.805 1.00 97.14 O +ATOM 65 N PRO A 14 -1.151 -3.636 -1.909 1.00 97.40 N +ATOM 66 CA PRO A 14 -1.263 -3.080 -0.560 1.00 97.25 C +ATOM 67 C PRO A 14 -0.525 -1.751 -0.434 1.00 97.51 C +ATOM 68 O PRO A 14 0.379 -1.457 -1.204 1.00 96.96 O +ATOM 69 CB PRO A 14 -0.629 -4.160 0.318 1.00 95.92 C +ATOM 70 CG PRO A 14 0.373 -4.802 -0.588 1.00 94.46 C +ATOM 71 CD PRO A 14 -0.311 -4.848 -1.934 1.00 96.45 C +HETATM 72 N HYP A 15 -0.887 -0.954 0.563 1.00 97.77 N +HETATM 73 CA HYP A 15 -0.211 0.283 0.856 1.00 97.25 C +HETATM 74 C HYP A 15 1.236 0.033 1.198 1.00 97.66 C +HETATM 75 O HYP A 15 1.574 -1.041 1.721 1.00 97.01 O +HETATM 76 CB HYP A 15 -0.982 0.788 2.110 1.00 96.17 C +HETATM 77 CG HYP A 15 -2.333 0.166 1.977 1.00 95.34 C +HETATM 78 CD HYP A 15 -2.047 -1.178 1.423 1.00 96.59 C +HETATM 79 OD1 HYP A 15 -3.153 0.890 1.078 1.00 94.32 O +ATOM 80 N GLY A 16 2.098 0.970 0.888 1.00 97.84 N +ATOM 81 CA GLY A 16 3.494 0.826 1.219 1.00 97.78 C +ATOM 82 C GLY A 16 3.698 0.910 2.729 1.00 97.91 C +ATOM 83 O GLY A 16 2.759 1.208 3.474 1.00 97.71 O +ATOM 84 N PRO A 17 4.929 0.652 3.183 1.00 97.43 N +ATOM 85 CA PRO A 17 5.216 0.698 4.616 1.00 97.46 C +ATOM 86 C PRO A 17 5.185 2.122 5.151 1.00 97.62 C +ATOM 87 O PRO A 17 5.373 3.080 4.415 1.00 97.02 O +ATOM 88 CB PRO A 17 6.615 0.087 4.709 1.00 96.33 C +ATOM 89 CG PRO A 17 7.225 0.436 3.390 1.00 94.87 C +ATOM 90 CD PRO A 17 6.099 0.276 2.393 1.00 96.78 C +HETATM 91 N HYP A 18 4.959 2.249 6.433 1.00 97.65 N +HETATM 92 CA HYP A 18 5.008 3.550 7.101 1.00 97.06 C +HETATM 93 C HYP A 18 6.406 4.159 6.960 1.00 97.57 C +HETATM 94 O HYP A 18 7.410 3.443 6.902 1.00 96.69 O +HETATM 95 CB HYP A 18 4.772 3.154 8.588 1.00 95.84 C +HETATM 96 CG HYP A 18 3.988 1.863 8.517 1.00 94.99 C +HETATM 97 CD HYP A 18 4.580 1.155 7.340 1.00 96.23 C +HETATM 98 OD1 HYP A 18 2.616 2.106 8.268 1.00 93.38 O +ATOM 99 N GLY A 19 6.438 5.481 6.882 1.00 97.33 N +ATOM 100 CA GLY A 19 7.704 6.165 6.798 1.00 97.29 C +ATOM 101 C GLY A 19 8.461 6.048 8.108 1.00 97.50 C +ATOM 102 O GLY A 19 7.919 5.580 9.114 1.00 97.32 O +ATOM 103 N PRO A 20 9.734 6.486 8.118 1.00 97.03 N +ATOM 104 CA PRO A 20 10.537 6.394 9.335 1.00 96.99 C +ATOM 105 C PRO A 20 10.049 7.362 10.401 1.00 97.11 C +ATOM 106 O PRO A 20 9.456 8.389 10.100 1.00 96.16 O +ATOM 107 CB PRO A 20 11.941 6.740 8.847 1.00 95.58 C +ATOM 108 CG PRO A 20 11.683 7.632 7.674 1.00 94.17 C +ATOM 109 CD PRO A 20 10.471 7.038 6.999 1.00 96.39 C +HETATM 110 N HYP A 21 10.320 7.035 11.651 1.00 97.06 N +HETATM 111 CA HYP A 21 9.990 7.932 12.748 1.00 96.56 C +HETATM 112 C HYP A 21 10.751 9.249 12.608 1.00 96.99 C +HETATM 113 O HYP A 21 11.845 9.300 12.075 1.00 95.98 O +HETATM 114 CB HYP A 21 10.578 7.165 13.991 1.00 95.24 C +HETATM 115 CG HYP A 21 10.567 5.701 13.594 1.00 94.00 C +HETATM 116 CD HYP A 21 10.911 5.753 12.127 1.00 95.63 C +HETATM 117 OD1 HYP A 21 9.268 5.134 13.747 1.00 91.95 O +ATOM 118 N GLY A 22 10.118 10.326 13.055 1.00 96.00 N +ATOM 119 CA GLY A 22 10.756 11.612 13.013 1.00 95.95 C +ATOM 120 C GLY A 22 11.903 11.657 14.004 1.00 96.42 C +ATOM 121 O GLY A 22 12.066 10.759 14.832 1.00 96.11 O +ATOM 122 N PRO A 23 12.722 12.717 13.949 1.00 96.11 N +ATOM 123 CA PRO A 23 13.859 12.823 14.864 1.00 95.96 C +ATOM 124 C PRO A 23 13.386 13.057 16.296 1.00 96.12 C +ATOM 125 O PRO A 23 12.311 13.592 16.528 1.00 94.86 O +ATOM 126 CB PRO A 23 14.634 14.016 14.314 1.00 94.45 C +ATOM 127 CG PRO A 23 13.584 14.836 13.650 1.00 93.27 C +ATOM 128 CD PRO A 23 12.651 13.834 13.015 1.00 95.49 C +HETATM 129 N HYP A 24 14.208 12.635 17.282 1.00 94.88 N +HETATM 130 CA HYP A 24 13.879 12.889 18.661 1.00 94.87 C +HETATM 131 C HYP A 24 13.814 14.362 18.933 1.00 93.98 C +HETATM 132 O HYP A 24 14.466 15.138 18.274 1.00 92.29 O +HETATM 133 CB HYP A 24 15.123 12.263 19.414 1.00 93.03 C +HETATM 134 CG HYP A 24 15.664 11.201 18.486 1.00 90.88 C +HETATM 135 CD HYP A 24 15.431 11.819 17.114 1.00 93.32 C +HETATM 136 OD1 HYP A 24 14.919 9.990 18.596 1.00 90.59 O +ATOM 137 N GLY A 25 12.949 14.746 19.905 1.00 94.00 N +ATOM 138 CA GLY A 25 12.813 16.137 20.263 1.00 93.49 C +ATOM 139 C GLY A 25 14.101 16.661 20.882 1.00 93.04 C +ATOM 140 O GLY A 25 14.999 15.892 21.229 1.00 91.96 O +ATOM 141 N PRO A 26 14.210 17.993 21.068 1.00 93.79 N +ATOM 142 CA PRO A 26 15.420 18.567 21.651 1.00 93.75 C +ATOM 143 C PRO A 26 15.547 18.207 23.133 1.00 93.14 C +ATOM 144 O PRO A 26 14.557 17.901 23.800 1.00 89.75 O +ATOM 145 CB PRO A 26 15.232 20.068 21.451 1.00 91.10 C +ATOM 146 CG PRO A 26 13.751 20.224 21.492 1.00 88.33 C +ATOM 147 CD PRO A 26 13.230 19.013 20.754 1.00 90.67 C +ATOM 148 N PRO A 27 16.785 18.231 23.658 1.00 94.17 N +ATOM 149 CA PRO A 27 16.979 17.907 25.073 1.00 93.03 C +ATOM 150 C PRO A 27 16.476 19.060 25.956 1.00 90.26 C +ATOM 151 O PRO A 27 16.215 20.154 25.449 1.00 85.77 O +ATOM 152 CB PRO A 27 18.486 17.705 25.186 1.00 87.50 C +ATOM 153 CG PRO A 27 19.028 18.608 24.139 1.00 86.32 C +ATOM 154 CD PRO A 27 18.059 18.464 22.990 1.00 88.94 C +ATOM 155 OXT PRO A 27 16.333 18.870 27.166 1.00 78.73 O +TER 156 PRO A 27 +END diff --git a/protein_pdb_407.txt b/protein_pdb_407.txt new file mode 100644 index 0000000000000000000000000000000000000000..bc2d7ece68073e7c213072f73b0837f61cb9d9aa --- /dev/null +++ b/protein_pdb_407.txt @@ -0,0 +1,176 @@ +ATOM 1 N GLY A 1 -37.249 21.761 -6.852 1.00 92.74 N +ATOM 2 CA GLY A 1 -36.815 20.775 -7.838 1.00 93.80 C +ATOM 3 C GLY A 1 -36.253 19.531 -7.180 1.00 94.44 C +ATOM 4 O GLY A 1 -36.071 19.501 -5.959 1.00 92.98 O +ATOM 5 N PRO A 2 -35.929 18.508 -7.965 1.00 96.20 N +ATOM 6 CA PRO A 2 -35.369 17.275 -7.402 1.00 96.65 C +ATOM 7 C PRO A 2 -33.934 17.489 -6.933 1.00 96.82 C +ATOM 8 O PRO A 2 -33.254 18.418 -7.349 1.00 95.79 O +ATOM 9 CB PRO A 2 -35.428 16.296 -8.574 1.00 94.56 C +ATOM 10 CG PRO A 2 -35.333 17.181 -9.774 1.00 91.95 C +ATOM 11 CD PRO A 2 -36.102 18.423 -9.408 1.00 93.79 C +HETATM 12 N HYP A 3 -33.544 16.647 -6.078 1.00 96.28 N +HETATM 13 CA HYP A 3 -32.146 16.654 -5.582 1.00 96.26 C +HETATM 14 C HYP A 3 -31.164 16.406 -6.707 1.00 96.37 C +HETATM 15 O HYP A 3 -31.435 15.660 -7.645 1.00 95.00 O +HETATM 16 CB HYP A 3 -32.118 15.446 -4.612 1.00 94.90 C +HETATM 17 CG HYP A 3 -33.517 15.220 -4.217 1.00 95.21 C +HETATM 18 CD HYP A 3 -34.326 15.612 -5.473 1.00 94.74 C +HETATM 19 OD1 HYP A 3 -33.900 16.022 -3.143 1.00 94.37 O +ATOM 20 N GLY A 4 -29.964 17.063 -6.579 1.00 97.09 N +ATOM 21 CA GLY A 4 -28.936 16.904 -7.582 1.00 96.41 C +ATOM 22 C GLY A 4 -28.392 15.479 -7.607 1.00 96.63 C +ATOM 23 O GLY A 4 -28.575 14.707 -6.656 1.00 96.47 O +ATOM 24 N ALA A 5 -27.716 15.145 -8.710 1.00 96.10 N +ATOM 25 CA ALA A 5 -27.137 13.816 -8.853 1.00 95.86 C +ATOM 26 C ALA A 5 -25.989 13.621 -7.868 1.00 95.83 C +ATOM 27 O ALA A 5 -25.312 14.576 -7.474 1.00 94.27 O +ATOM 28 CB ALA A 5 -26.643 13.615 -10.280 1.00 93.48 C +ATOM 29 N ALA A 6 -25.750 12.367 -7.485 1.00 95.93 N +ATOM 30 CA ALA A 6 -24.646 12.053 -6.597 1.00 95.54 C +ATOM 31 C ALA A 6 -23.327 12.357 -7.301 1.00 95.68 C +ATOM 32 O ALA A 6 -23.211 12.244 -8.519 1.00 93.92 O +ATOM 33 CB ALA A 6 -24.694 10.581 -6.187 1.00 93.15 C +ATOM 34 N GLY A 7 -22.328 12.755 -6.527 1.00 96.06 N +ATOM 35 CA GLY A 7 -21.031 13.050 -7.100 1.00 95.79 C +ATOM 36 C GLY A 7 -20.334 11.789 -7.582 1.00 96.20 C +ATOM 37 O GLY A 7 -20.770 10.673 -7.307 1.00 96.66 O +ATOM 38 N PRO A 8 -19.223 11.960 -8.294 1.00 97.36 N +ATOM 39 CA PRO A 8 -18.486 10.805 -8.802 1.00 97.34 C +ATOM 40 C PRO A 8 -17.785 10.057 -7.674 1.00 97.56 C +ATOM 41 O PRO A 8 -17.547 10.594 -6.597 1.00 96.98 O +ATOM 42 CB PRO A 8 -17.476 11.419 -9.778 1.00 96.22 C +ATOM 43 CG PRO A 8 -17.236 12.772 -9.194 1.00 95.00 C +ATOM 44 CD PRO A 8 -18.582 13.227 -8.671 1.00 96.81 C +ATOM 45 N ALA A 9 -17.441 8.803 -7.955 1.00 96.09 N +ATOM 46 CA ALA A 9 -16.713 8.002 -6.981 1.00 96.43 C +ATOM 47 C ALA A 9 -15.332 8.614 -6.768 1.00 96.78 C +ATOM 48 O ALA A 9 -14.756 9.227 -7.660 1.00 95.27 O +ATOM 49 CB ALA A 9 -16.584 6.565 -7.475 1.00 94.57 C +ATOM 50 N GLY A 10 -14.802 8.458 -5.565 1.00 96.78 N +ATOM 51 CA GLY A 10 -13.482 8.978 -5.263 1.00 96.43 C +ATOM 52 C GLY A 10 -12.390 8.259 -6.033 1.00 96.68 C +ATOM 53 O GLY A 10 -12.588 7.153 -6.547 1.00 96.69 O +ATOM 54 N ALA A 11 -11.234 8.896 -6.100 1.00 96.90 N +ATOM 55 CA ALA A 11 -10.096 8.307 -6.783 1.00 97.05 C +ATOM 56 C ALA A 11 -9.573 7.101 -6.014 1.00 97.14 C +ATOM 57 O ALA A 11 -9.743 6.994 -4.793 1.00 96.18 O +ATOM 58 CB ALA A 11 -8.980 9.334 -6.942 1.00 95.41 C +ATOM 59 N ALA A 12 -8.911 6.189 -6.734 1.00 96.63 N +ATOM 60 CA ALA A 12 -8.319 5.024 -6.089 1.00 96.80 C +ATOM 61 C ALA A 12 -7.252 5.486 -5.103 1.00 96.88 C +ATOM 62 O ALA A 12 -6.593 6.504 -5.305 1.00 94.78 O +ATOM 63 CB ALA A 12 -7.704 4.096 -7.134 1.00 95.11 C +ATOM 64 N GLY A 13 -7.097 4.730 -4.028 1.00 97.19 N +ATOM 65 CA GLY A 13 -6.103 5.069 -3.020 1.00 96.49 C +ATOM 66 C GLY A 13 -4.685 4.882 -3.540 1.00 96.60 C +ATOM 67 O GLY A 13 -4.463 4.349 -4.622 1.00 96.81 O +ATOM 68 N PRO A 14 -3.702 5.315 -2.744 1.00 97.59 N +ATOM 69 CA PRO A 14 -2.310 5.182 -3.158 1.00 97.21 C +ATOM 70 C PRO A 14 -1.853 3.730 -3.156 1.00 97.45 C +ATOM 71 O PRO A 14 -2.468 2.863 -2.530 1.00 96.70 O +ATOM 72 CB PRO A 14 -1.547 6.006 -2.112 1.00 95.70 C +ATOM 73 CG PRO A 14 -2.397 5.889 -0.898 1.00 94.81 C +ATOM 74 CD PRO A 14 -3.821 5.937 -1.412 1.00 96.65 C +ATOM 75 N ALA A 15 -0.763 3.473 -3.860 1.00 97.39 N +ATOM 76 CA ALA A 15 -0.193 2.134 -3.882 1.00 97.33 C +ATOM 77 C ALA A 15 0.243 1.752 -2.471 1.00 97.39 C +ATOM 78 O ALA A 15 0.611 2.612 -1.667 1.00 96.15 O +ATOM 79 CB ALA A 15 0.998 2.079 -4.829 1.00 95.80 C +ATOM 80 N GLY A 16 0.199 0.458 -2.187 1.00 97.66 N +ATOM 81 CA GLY A 16 0.607 -0.022 -0.882 1.00 97.18 C +ATOM 82 C GLY A 16 2.100 0.113 -0.665 1.00 97.42 C +ATOM 83 O GLY A 16 2.849 0.460 -1.580 1.00 97.45 O +ATOM 84 N PRO A 17 2.555 -0.159 0.566 1.00 97.51 N +ATOM 85 CA PRO A 17 3.975 -0.046 0.883 1.00 97.35 C +ATOM 86 C PRO A 17 4.789 -1.118 0.173 1.00 97.54 C +ATOM 87 O PRO A 17 4.259 -2.139 -0.252 1.00 97.12 O +ATOM 88 CB PRO A 17 4.013 -0.228 2.402 1.00 95.94 C +ATOM 89 CG PRO A 17 2.816 -1.072 2.687 1.00 94.43 C +ATOM 90 CD PRO A 17 1.758 -0.585 1.729 1.00 96.61 C +HETATM 91 N HYP A 18 6.062 -0.911 0.085 1.00 97.45 N +HETATM 92 CA HYP A 18 6.969 -1.860 -0.493 1.00 96.97 C +HETATM 93 C HYP A 18 6.939 -3.177 0.238 1.00 97.45 C +HETATM 94 O HYP A 18 6.732 -3.192 1.458 1.00 96.76 O +HETATM 95 CB HYP A 18 8.335 -1.186 -0.365 1.00 96.01 C +HETATM 96 CG HYP A 18 7.994 0.284 -0.330 1.00 94.39 C +HETATM 97 CD HYP A 18 6.726 0.329 0.434 1.00 95.90 C +HETATM 98 OD1 HYP A 18 7.809 0.820 -1.619 1.00 94.39 O +ATOM 99 N GLY A 19 7.072 -4.251 -0.487 1.00 97.51 N +ATOM 100 CA GLY A 19 7.075 -5.546 0.131 1.00 97.25 C +ATOM 101 C GLY A 19 8.310 -5.735 0.995 1.00 97.51 C +ATOM 102 O GLY A 19 9.233 -4.920 0.981 1.00 97.36 O +ATOM 103 N PRO A 20 8.340 -6.843 1.761 1.00 97.01 N +ATOM 104 CA PRO A 20 9.485 -7.113 2.625 1.00 96.88 C +ATOM 105 C PRO A 20 10.724 -7.467 1.812 1.00 97.02 C +ATOM 106 O PRO A 20 10.630 -7.874 0.661 1.00 96.35 O +ATOM 107 CB PRO A 20 9.008 -8.294 3.474 1.00 95.41 C +ATOM 108 CG PRO A 20 8.024 -8.976 2.585 1.00 93.99 C +ATOM 109 CD PRO A 20 7.309 -7.868 1.860 1.00 96.25 C +HETATM 110 N HYP A 21 11.848 -7.329 2.417 1.00 96.76 N +HETATM 111 CA HYP A 21 13.115 -7.711 1.795 1.00 95.95 C +HETATM 112 C HYP A 21 13.118 -9.189 1.430 1.00 96.65 C +HETATM 113 O HYP A 21 12.523 -9.997 2.148 1.00 95.67 O +HETATM 114 CB HYP A 21 14.143 -7.429 2.892 1.00 94.34 C +HETATM 115 CG HYP A 21 13.519 -6.331 3.716 1.00 92.32 C +HETATM 116 CD HYP A 21 12.059 -6.688 3.720 1.00 94.58 C +HETATM 117 OD1 HYP A 21 13.679 -5.063 3.131 1.00 92.17 O +ATOM 118 N GLY A 22 13.752 -9.506 0.315 1.00 96.40 N +ATOM 119 CA GLY A 22 13.834 -10.876 -0.106 1.00 96.07 C +ATOM 120 C GLY A 22 14.681 -11.686 0.860 1.00 96.40 C +ATOM 121 O GLY A 22 15.359 -11.142 1.733 1.00 96.36 O +ATOM 122 N PRO A 23 14.657 -13.017 0.702 1.00 96.04 N +ATOM 123 CA PRO A 23 15.437 -13.881 1.585 1.00 95.78 C +ATOM 124 C PRO A 23 16.929 -13.712 1.344 1.00 95.73 C +ATOM 125 O PRO A 23 17.361 -13.278 0.278 1.00 94.63 O +ATOM 126 CB PRO A 23 14.955 -15.280 1.214 1.00 93.64 C +ATOM 127 CG PRO A 23 14.528 -15.130 -0.207 1.00 92.29 C +ATOM 128 CD PRO A 23 13.897 -13.765 -0.291 1.00 95.05 C +HETATM 129 N HYP A 24 17.710 -14.087 2.323 1.00 95.36 N +HETATM 130 CA HYP A 24 19.159 -14.015 2.193 1.00 93.99 C +HETATM 131 C HYP A 24 19.627 -14.947 1.092 1.00 95.37 C +HETATM 132 O HYP A 24 19.024 -15.992 0.833 1.00 94.35 O +HETATM 133 CB HYP A 24 19.629 -14.600 3.548 1.00 93.11 C +HETATM 134 CG HYP A 24 18.525 -14.307 4.540 1.00 90.87 C +HETATM 135 CD HYP A 24 17.282 -14.464 3.679 1.00 93.41 C +HETATM 136 OD1 HYP A 24 18.586 -12.964 5.019 1.00 90.07 O +ATOM 137 N GLY A 25 20.700 -14.539 0.423 1.00 93.30 N +ATOM 138 CA GLY A 25 21.262 -15.361 -0.617 1.00 92.79 C +ATOM 139 C GLY A 25 21.873 -16.621 -0.026 1.00 93.30 C +ATOM 140 O GLY A 25 22.011 -16.750 1.195 1.00 93.65 O +ATOM 141 N PRO A 26 22.261 -17.569 -0.881 1.00 94.02 N +ATOM 142 CA PRO A 26 22.849 -18.817 -0.388 1.00 93.59 C +ATOM 143 C PRO A 26 24.225 -18.559 0.216 1.00 93.54 C +ATOM 144 O PRO A 26 24.895 -17.580 -0.108 1.00 92.13 O +ATOM 145 CB PRO A 26 22.931 -19.681 -1.641 1.00 91.25 C +ATOM 146 CG PRO A 26 23.021 -18.687 -2.743 1.00 90.77 C +ATOM 147 CD PRO A 26 22.142 -17.535 -2.329 1.00 93.49 C +HETATM 148 N HYP A 27 24.666 -19.463 1.113 1.00 93.06 N +HETATM 149 CA HYP A 27 25.990 -19.325 1.702 1.00 91.96 C +HETATM 150 C HYP A 27 27.056 -19.411 0.646 1.00 92.08 C +HETATM 151 O HYP A 27 26.898 -20.106 -0.339 1.00 90.03 O +HETATM 152 CB HYP A 27 26.061 -20.610 2.617 1.00 90.62 C +HETATM 153 CG HYP A 27 24.627 -20.970 2.948 1.00 87.09 C +HETATM 154 CD HYP A 27 23.898 -20.576 1.679 1.00 91.29 C +HETATM 155 OD1 HYP A 27 24.140 -20.195 4.040 1.00 88.71 O +ATOM 156 N GLY A 28 28.160 -18.641 0.881 1.00 92.13 N +ATOM 157 CA GLY A 28 29.264 -18.658 -0.048 1.00 91.15 C +ATOM 158 C GLY A 28 29.942 -20.019 -0.069 1.00 90.10 C +ATOM 159 O GLY A 28 29.731 -20.849 0.816 1.00 89.35 O +ATOM 160 N PRO A 29 30.810 -20.261 -1.069 1.00 91.65 N +ATOM 161 CA PRO A 29 31.499 -21.549 -1.139 1.00 91.17 C +ATOM 162 C PRO A 29 32.516 -21.697 -0.014 1.00 90.04 C +ATOM 163 O PRO A 29 33.006 -20.698 0.518 1.00 86.10 O +ATOM 164 CB PRO A 29 32.168 -21.517 -2.508 1.00 87.84 C +ATOM 165 CG PRO A 29 32.391 -20.064 -2.745 1.00 85.41 C +ATOM 166 CD PRO A 29 31.180 -19.387 -2.160 1.00 87.40 C +ATOM 167 N PRO A 30 32.842 -22.925 0.359 1.00 93.79 N +ATOM 168 CA PRO A 30 33.820 -23.147 1.431 1.00 92.73 C +ATOM 169 C PRO A 30 35.204 -22.591 1.059 1.00 89.89 C +ATOM 170 O PRO A 30 35.967 -22.280 1.974 1.00 85.08 O +ATOM 171 CB PRO A 30 33.848 -24.667 1.586 1.00 87.08 C +ATOM 172 CG PRO A 30 32.555 -25.132 1.027 1.00 86.23 C +ATOM 173 CD PRO A 30 32.279 -24.189 -0.110 1.00 88.34 C +ATOM 174 OXT PRO A 30 35.520 -22.481 -0.132 1.00 77.75 O +TER 175 PRO A 30 +END diff --git a/protein_pdb_408.txt b/protein_pdb_408.txt new file mode 100644 index 0000000000000000000000000000000000000000..380e80e2fdf92f5a3f1857bf7fb1b7be8db1d6dd --- /dev/null +++ b/protein_pdb_408.txt @@ -0,0 +1,130 @@ +ATOM 1 N GLY A 1 20.495 15.535 -20.518 1.00 81.72 N +ATOM 2 CA GLY A 1 19.066 15.262 -20.674 1.00 84.23 C +ATOM 3 C GLY A 1 18.326 15.396 -19.359 1.00 86.06 C +ATOM 4 O GLY A 1 18.950 15.465 -18.302 1.00 82.34 O +ATOM 5 N ILE A 2 17.015 15.434 -19.416 1.00 83.79 N +ATOM 6 CA ILE A 2 16.214 15.543 -18.204 1.00 87.58 C +ATOM 7 C ILE A 2 15.980 14.154 -17.600 1.00 88.46 C +ATOM 8 O ILE A 2 16.092 13.135 -18.284 1.00 84.95 O +ATOM 9 CB ILE A 2 14.856 16.216 -18.483 1.00 82.95 C +ATOM 10 CG1 ILE A 2 14.040 15.388 -19.478 1.00 79.21 C +ATOM 11 CG2 ILE A 2 15.076 17.625 -19.024 1.00 76.59 C +ATOM 12 CD1 ILE A 2 12.615 15.880 -19.640 1.00 71.07 C +ATOM 13 N ALA A 3 15.623 14.131 -16.311 1.00 84.26 N +ATOM 14 CA ALA A 3 15.363 12.869 -15.632 1.00 88.73 C +ATOM 15 C ALA A 3 14.123 12.206 -16.221 1.00 89.59 C +ATOM 16 O ALA A 3 13.186 12.880 -16.665 1.00 84.59 O +ATOM 17 CB ALA A 3 15.157 13.105 -14.140 1.00 83.73 C +ATOM 18 N GLY A 4 14.120 10.901 -16.230 1.00 90.48 N +ATOM 19 CA GLY A 4 12.978 10.164 -16.750 1.00 89.98 C +ATOM 20 C GLY A 4 11.809 10.235 -15.782 1.00 90.22 C +ATOM 21 O GLY A 4 11.917 10.795 -14.687 1.00 90.89 O +ATOM 22 N PRO A 5 10.670 9.663 -16.155 1.00 94.29 N +ATOM 23 CA PRO A 5 9.489 9.698 -15.293 1.00 94.60 C +ATOM 24 C PRO A 5 9.649 8.809 -14.070 1.00 95.17 C +ATOM 25 O PRO A 5 10.470 7.894 -14.051 1.00 93.07 O +ATOM 26 CB PRO A 5 8.368 9.205 -16.208 1.00 91.59 C +ATOM 27 CG PRO A 5 9.079 8.259 -17.113 1.00 89.02 C +ATOM 28 CD PRO A 5 10.395 8.953 -17.409 1.00 91.38 C +ATOM 29 N ALA A 6 8.854 9.093 -13.048 1.00 94.45 N +ATOM 30 CA ALA A 6 8.883 8.283 -11.844 1.00 95.03 C +ATOM 31 C ALA A 6 8.414 6.876 -12.185 1.00 95.59 C +ATOM 32 O ALA A 6 7.605 6.683 -13.093 1.00 92.71 O +ATOM 33 CB ALA A 6 7.968 8.887 -10.778 1.00 92.74 C +ATOM 34 N GLY A 7 8.926 5.905 -11.458 1.00 97.25 N +ATOM 35 CA GLY A 7 8.536 4.529 -11.695 1.00 97.08 C +ATOM 36 C GLY A 7 7.115 4.267 -11.227 1.00 97.30 C +ATOM 37 O GLY A 7 6.472 5.140 -10.646 1.00 97.18 O +ATOM 38 N PRO A 8 6.618 3.068 -11.469 1.00 97.44 N +ATOM 39 CA PRO A 8 5.251 2.720 -11.078 1.00 97.27 C +ATOM 40 C PRO A 8 5.122 2.579 -9.563 1.00 97.40 C +ATOM 41 O PRO A 8 6.110 2.375 -8.868 1.00 96.78 O +ATOM 42 CB PRO A 8 5.005 1.395 -11.791 1.00 96.05 C +ATOM 43 CG PRO A 8 6.366 0.792 -11.861 1.00 94.64 C +ATOM 44 CD PRO A 8 7.272 1.960 -12.169 1.00 96.38 C +HETATM 45 N HYP A 9 3.912 2.650 -9.043 1.00 97.48 N +HETATM 46 CA HYP A 9 3.645 2.436 -7.665 1.00 97.56 C +HETATM 47 C HYP A 9 3.969 1.044 -7.246 1.00 97.66 C +HETATM 48 O HYP A 9 3.929 0.110 -8.079 1.00 96.63 O +HETATM 49 CB HYP A 9 2.107 2.683 -7.548 1.00 95.78 C +HETATM 50 CG HYP A 9 1.866 3.640 -8.674 1.00 94.99 C +HETATM 51 CD HYP A 9 2.748 3.158 -9.756 1.00 96.26 C +HETATM 52 OD1 HYP A 9 2.214 4.944 -8.301 1.00 93.82 O +ATOM 53 N GLY A 10 4.345 0.871 -5.980 1.00 97.74 N +ATOM 54 CA GLY A 10 4.671 -0.439 -5.481 1.00 97.65 C +ATOM 55 C GLY A 10 3.422 -1.297 -5.364 1.00 97.90 C +ATOM 56 O GLY A 10 2.313 -0.834 -5.636 1.00 97.69 O +ATOM 57 N PRO A 11 3.597 -2.554 -4.942 1.00 97.24 N +ATOM 58 CA PRO A 11 2.463 -3.463 -4.807 1.00 97.26 C +ATOM 59 C PRO A 11 1.580 -3.084 -3.624 1.00 97.53 C +ATOM 60 O PRO A 11 2.004 -2.388 -2.712 1.00 97.07 O +ATOM 61 CB PRO A 11 3.129 -4.821 -4.607 1.00 96.22 C +ATOM 62 CG PRO A 11 4.406 -4.471 -3.931 1.00 94.76 C +ATOM 63 CD PRO A 11 4.862 -3.214 -4.615 1.00 96.53 C +HETATM 64 N HYP A 12 0.360 -3.538 -3.645 1.00 97.26 N +HETATM 65 CA HYP A 12 -0.566 -3.363 -2.513 1.00 97.19 C +HETATM 66 C HYP A 12 -0.055 -4.013 -1.268 1.00 97.66 C +HETATM 67 O HYP A 12 0.710 -4.990 -1.325 1.00 96.69 O +HETATM 68 CB HYP A 12 -1.840 -4.094 -3.023 1.00 95.31 C +HETATM 69 CG HYP A 12 -1.743 -4.012 -4.521 1.00 94.56 C +HETATM 70 CD HYP A 12 -0.291 -4.160 -4.792 1.00 95.40 C +HETATM 71 OD1 HYP A 12 -2.173 -2.750 -4.981 1.00 93.51 O +ATOM 72 N GLY A 13 -0.448 -3.478 -0.112 1.00 97.22 N +ATOM 73 CA GLY A 13 -0.048 -4.029 1.155 1.00 97.27 C +ATOM 74 C GLY A 13 -0.711 -5.377 1.385 1.00 97.51 C +ATOM 75 O GLY A 13 -1.536 -5.826 0.587 1.00 97.33 O +ATOM 76 N PRO A 14 -0.357 -6.040 2.490 1.00 96.74 N +ATOM 77 CA PRO A 14 -0.921 -7.348 2.800 1.00 96.68 C +ATOM 78 C PRO A 14 -2.393 -7.252 3.189 1.00 96.83 C +ATOM 79 O PRO A 14 -2.868 -6.203 3.613 1.00 95.88 O +ATOM 80 CB PRO A 14 -0.053 -7.836 3.955 1.00 95.51 C +ATOM 81 CG PRO A 14 0.346 -6.569 4.624 1.00 94.18 C +ATOM 82 CD PRO A 14 0.617 -5.613 3.491 1.00 96.14 C +HETATM 83 N HYP A 15 -3.095 -8.345 3.042 1.00 96.99 N +HETATM 84 CA HYP A 15 -4.483 -8.412 3.518 1.00 96.77 C +HETATM 85 C HYP A 15 -4.621 -8.173 4.985 1.00 97.08 C +HETATM 86 O HYP A 15 -3.685 -8.393 5.743 1.00 95.88 O +HETATM 87 CB HYP A 15 -4.848 -9.875 3.166 1.00 94.76 C +HETATM 88 CG HYP A 15 -3.972 -10.199 1.989 1.00 93.54 C +HETATM 89 CD HYP A 15 -2.676 -9.540 2.335 1.00 95.42 C +HETATM 90 OD1 HYP A 15 -4.469 -9.670 0.779 1.00 91.91 O +ATOM 91 N GLY A 16 -5.762 -7.703 5.430 1.00 96.42 N +ATOM 92 CA GLY A 16 -6.011 -7.461 6.823 1.00 96.76 C +ATOM 93 C GLY A 16 -6.096 -8.770 7.587 1.00 97.14 C +ATOM 94 O GLY A 16 -6.072 -9.848 6.995 1.00 96.96 O +ATOM 95 N PRO A 17 -6.194 -8.691 8.915 1.00 96.44 N +ATOM 96 CA PRO A 17 -6.264 -9.893 9.737 1.00 96.57 C +ATOM 97 C PRO A 17 -7.584 -10.627 9.554 1.00 96.70 C +ATOM 98 O PRO A 17 -8.587 -10.037 9.164 1.00 95.78 O +ATOM 99 CB PRO A 17 -6.096 -9.360 11.153 1.00 95.36 C +ATOM 100 CG PRO A 17 -6.678 -7.992 11.066 1.00 93.96 C +ATOM 101 CD PRO A 17 -6.217 -7.483 9.721 1.00 95.95 C +HETATM 102 N HYP A 18 -7.619 -11.906 9.853 1.00 96.09 N +HETATM 103 CA HYP A 18 -8.811 -12.693 9.823 1.00 96.57 C +HETATM 104 C HYP A 18 -9.845 -12.214 10.783 1.00 95.55 C +HETATM 105 O HYP A 18 -9.503 -11.610 11.794 1.00 94.39 O +HETATM 106 CB HYP A 18 -8.282 -14.104 10.238 1.00 94.04 C +HETATM 107 CG HYP A 18 -6.836 -14.098 9.839 1.00 92.36 C +HETATM 108 CD HYP A 18 -6.418 -12.697 10.111 1.00 94.34 C +HETATM 109 OD1 HYP A 18 -6.676 -14.387 8.451 1.00 91.58 O +ATOM 110 N GLY A 19 -11.122 -12.391 10.470 1.00 95.31 N +ATOM 111 CA GLY A 19 -12.191 -11.984 11.344 1.00 95.25 C +ATOM 112 C GLY A 19 -12.256 -12.898 12.557 1.00 95.73 C +ATOM 113 O GLY A 19 -11.570 -13.917 12.621 1.00 95.15 O +ATOM 114 N PRO A 20 -13.107 -12.563 13.538 1.00 95.46 N +ATOM 115 CA PRO A 20 -13.225 -13.380 14.735 1.00 95.25 C +ATOM 116 C PRO A 20 -13.910 -14.716 14.432 1.00 95.03 C +ATOM 117 O PRO A 20 -14.637 -14.836 13.442 1.00 91.94 O +ATOM 118 CB PRO A 20 -14.062 -12.512 15.673 1.00 92.72 C +ATOM 119 CG PRO A 20 -14.924 -11.746 14.723 1.00 90.35 C +ATOM 120 CD PRO A 20 -13.981 -11.402 13.586 1.00 93.54 C +ATOM 121 N PRO A 21 -13.682 -15.724 15.274 1.00 93.99 N +ATOM 122 CA PRO A 21 -14.314 -17.027 15.046 1.00 92.54 C +ATOM 123 C PRO A 21 -15.814 -16.960 15.325 1.00 91.09 C +ATOM 124 O PRO A 21 -16.281 -16.024 15.973 1.00 86.61 O +ATOM 125 CB PRO A 21 -13.577 -17.947 16.018 1.00 86.08 C +ATOM 126 CG PRO A 21 -13.216 -17.023 17.133 1.00 85.70 C +ATOM 127 CD PRO A 21 -12.804 -15.753 16.441 1.00 89.01 C +ATOM 128 OXT PRO A 21 -16.556 -17.859 14.891 1.00 79.64 O +TER 129 PRO A 21 +END diff --git a/protein_pdb_409.txt b/protein_pdb_409.txt new file mode 100644 index 0000000000000000000000000000000000000000..7e5a56c7efa068db348812ede3873009e75eec68 --- /dev/null +++ b/protein_pdb_409.txt @@ -0,0 +1,149 @@ +ATOM 1 N GLY A 1 9.471 3.463 -0.463 1.00 82.00 N +ATOM 2 CA GLY A 1 8.320 4.287 -0.512 1.00 81.71 C +ATOM 3 C GLY A 1 7.290 3.914 0.538 1.00 81.01 C +ATOM 4 O GLY A 1 7.426 2.918 1.250 1.00 77.93 O +ATOM 5 N PRO A 2 6.070 4.607 0.770 1.00 79.83 N +ATOM 6 CA PRO A 2 5.020 4.380 1.752 1.00 79.85 C +ATOM 7 C PRO A 2 4.144 3.204 1.351 1.00 79.31 C +ATOM 8 O PRO A 2 4.141 2.781 0.201 1.00 77.20 O +ATOM 9 CB PRO A 2 4.237 5.692 1.737 1.00 76.62 C +ATOM 10 CG PRO A 2 4.411 6.181 0.346 1.00 72.04 C +ATOM 11 CD PRO A 2 5.831 5.825 -0.003 1.00 71.37 C +HETATM 12 N HYP A 3 3.329 2.609 2.351 1.00 77.48 N +HETATM 13 CA HYP A 3 2.404 1.602 2.005 1.00 86.07 C +HETATM 14 C HYP A 3 1.389 2.093 1.010 1.00 81.79 C +HETATM 15 O HYP A 3 1.101 3.300 0.995 1.00 81.61 O +HETATM 16 CB HYP A 3 1.792 1.245 3.377 1.00 77.79 C +HETATM 17 CG HYP A 3 2.885 1.539 4.349 1.00 74.47 C +HETATM 18 CD HYP A 3 3.492 2.788 3.747 1.00 77.61 C +HETATM 19 OD1 HYP A 3 3.815 0.501 4.326 1.00 78.98 O +ATOM 20 N GLY A 4 0.958 1.246 0.160 1.00 84.02 N +ATOM 21 CA GLY A 4 -0.019 1.618 -0.825 1.00 81.79 C +ATOM 22 C GLY A 4 -1.332 2.011 -0.178 1.00 80.80 C +ATOM 23 O GLY A 4 -1.493 1.912 1.042 1.00 79.12 O +ATOM 24 N PRO A 5 -2.276 2.453 -0.972 1.00 82.60 N +ATOM 25 CA PRO A 5 -3.568 2.859 -0.436 1.00 81.19 C +ATOM 26 C PRO A 5 -4.373 1.674 0.062 1.00 80.50 C +ATOM 27 O PRO A 5 -4.117 0.536 -0.309 1.00 77.81 O +ATOM 28 CB PRO A 5 -4.232 3.539 -1.629 1.00 77.77 C +ATOM 29 CG PRO A 5 -3.632 2.852 -2.801 1.00 75.37 C +ATOM 30 CD PRO A 5 -2.200 2.612 -2.416 1.00 77.99 C +HETATM 31 N HYP A 6 -5.341 1.938 0.913 1.00 81.18 N +HETATM 32 CA HYP A 6 -6.234 0.922 1.384 1.00 86.26 C +HETATM 33 C HYP A 6 -6.992 0.251 0.275 1.00 81.68 C +HETATM 34 O HYP A 6 -7.262 0.893 -0.746 1.00 83.70 O +HETATM 35 CB HYP A 6 -7.169 1.734 2.293 1.00 82.60 C +HETATM 36 CG HYP A 6 -6.297 2.834 2.799 1.00 79.75 C +HETATM 37 CD HYP A 6 -5.505 3.153 1.582 1.00 82.70 C +HETATM 38 OD1 HYP A 6 -5.453 2.384 3.816 1.00 79.41 O +ATOM 39 N GLY A 7 -7.251 -0.997 0.456 1.00 83.03 N +ATOM 40 CA GLY A 7 -8.000 -1.740 -0.524 1.00 80.96 C +ATOM 41 C GLY A 7 -9.419 -1.210 -0.632 1.00 81.42 C +ATOM 42 O GLY A 7 -9.836 -0.344 0.140 1.00 79.73 O +ATOM 43 N PRO A 8 -10.181 -1.739 -1.573 1.00 82.22 N +ATOM 44 CA PRO A 8 -11.552 -1.292 -1.775 1.00 81.59 C +ATOM 45 C PRO A 8 -12.463 -1.678 -0.625 1.00 81.21 C +ATOM 46 O PRO A 8 -12.181 -2.598 0.135 1.00 78.77 O +ATOM 47 CB PRO A 8 -11.957 -1.972 -3.081 1.00 79.01 C +ATOM 48 CG PRO A 8 -11.120 -3.205 -3.107 1.00 78.93 C +ATOM 49 CD PRO A 8 -9.804 -2.780 -2.519 1.00 80.35 C +HETATM 50 N HYP A 9 -13.608 -0.983 -0.497 1.00 79.99 N +HETATM 51 CA HYP A 9 -14.601 -1.275 0.439 1.00 82.15 C +HETATM 52 C HYP A 9 -15.186 -2.626 0.265 1.00 80.37 C +HETATM 53 O HYP A 9 -14.838 -3.310 -0.649 1.00 79.92 O +HETATM 54 CB HYP A 9 -15.646 -0.236 0.266 1.00 77.31 C +HETATM 55 CG HYP A 9 -14.860 0.918 -0.218 1.00 76.12 C +HETATM 56 CD HYP A 9 -13.842 0.280 -1.099 1.00 80.90 C +HETATM 57 OD1 HYP A 9 -14.219 1.588 0.824 1.00 76.99 O +ATOM 58 N GLY A 10 -16.137 -2.991 1.014 1.00 80.15 N +ATOM 59 CA GLY A 10 -16.745 -4.294 0.966 1.00 76.65 C +ATOM 60 C GLY A 10 -15.979 -5.226 1.882 1.00 76.19 C +ATOM 61 O GLY A 10 -15.871 -6.417 1.619 1.00 73.11 O +ATOM 62 N GLY A 11 -15.439 -4.665 2.920 1.00 75.17 N +ATOM 63 CA GLY A 11 -14.437 -5.296 3.749 1.00 74.99 C +ATOM 64 C GLY A 11 -13.115 -4.765 3.226 1.00 76.32 C +ATOM 65 O GLY A 11 -12.411 -5.456 2.498 1.00 72.63 O +ATOM 66 N ALA A 12 -12.810 -3.509 3.561 1.00 73.22 N +ATOM 67 CA ALA A 12 -11.635 -2.832 3.030 1.00 75.77 C +ATOM 68 C ALA A 12 -10.405 -3.721 3.098 1.00 77.12 C +ATOM 69 O ALA A 12 -10.142 -4.380 4.101 1.00 71.46 O +ATOM 70 CB ALA A 12 -11.381 -1.542 3.787 1.00 71.59 C +ATOM 71 N GLY A 13 -9.666 -3.719 2.015 1.00 82.47 N +ATOM 72 CA GLY A 13 -8.464 -4.519 1.946 1.00 80.38 C +ATOM 73 C GLY A 13 -7.332 -3.902 2.732 1.00 80.34 C +ATOM 74 O GLY A 13 -7.445 -2.792 3.260 1.00 78.44 O +ATOM 75 N PRO A 14 -6.226 -4.601 2.839 1.00 83.73 N +ATOM 76 CA PRO A 14 -5.071 -4.094 3.568 1.00 83.59 C +ATOM 77 C PRO A 14 -4.380 -2.995 2.778 1.00 83.81 C +ATOM 78 O PRO A 14 -4.617 -2.826 1.592 1.00 80.36 O +ATOM 79 CB PRO A 14 -4.176 -5.328 3.701 1.00 80.95 C +ATOM 80 CG PRO A 14 -4.481 -6.110 2.475 1.00 79.82 C +ATOM 81 CD PRO A 14 -5.969 -5.933 2.276 1.00 79.03 C +HETATM 82 N HYP A 15 -3.536 -2.236 3.456 1.00 78.38 N +HETATM 83 CA HYP A 15 -2.722 -1.320 2.765 1.00 83.98 C +HETATM 84 C HYP A 15 -1.911 -1.993 1.698 1.00 85.48 C +HETATM 85 O HYP A 15 -1.555 -3.186 1.861 1.00 81.56 O +HETATM 86 CB HYP A 15 -1.910 -0.707 3.888 1.00 80.81 C +HETATM 87 CG HYP A 15 -2.834 -0.846 5.067 1.00 79.52 C +HETATM 88 CD HYP A 15 -3.421 -2.203 4.856 1.00 82.24 C +HETATM 89 OD1 HYP A 15 -3.814 0.143 5.063 1.00 81.25 O +ATOM 90 N GLY A 16 -1.648 -1.303 0.646 1.00 82.12 N +ATOM 91 CA GLY A 16 -0.860 -1.853 -0.418 1.00 81.15 C +ATOM 92 C GLY A 16 0.578 -2.075 0.022 1.00 82.44 C +ATOM 93 O GLY A 16 0.969 -1.704 1.135 1.00 80.99 O +ATOM 94 N PRO A 17 1.352 -2.683 -0.843 1.00 79.22 N +ATOM 95 CA PRO A 17 2.750 -2.941 -0.509 1.00 79.29 C +ATOM 96 C PRO A 17 3.555 -1.658 -0.459 1.00 79.60 C +ATOM 97 O PRO A 17 3.160 -0.636 -1.008 1.00 76.86 O +ATOM 98 CB PRO A 17 3.209 -3.862 -1.636 1.00 76.44 C +ATOM 99 CG PRO A 17 2.346 -3.473 -2.787 1.00 75.24 C +ATOM 100 CD PRO A 17 1.001 -3.179 -2.173 1.00 75.57 C +HETATM 101 N HYP A 18 4.692 -1.676 0.197 1.00 78.09 N +HETATM 102 CA HYP A 18 5.579 -0.579 0.227 1.00 85.08 C +HETATM 103 C HYP A 18 5.994 -0.152 -1.144 1.00 82.19 C +HETATM 104 O HYP A 18 6.148 -1.001 -2.039 1.00 82.53 O +HETATM 105 CB HYP A 18 6.742 -1.101 1.036 1.00 81.00 C +HETATM 106 CG HYP A 18 6.103 -2.116 1.936 1.00 73.77 C +HETATM 107 CD HYP A 18 5.102 -2.738 1.041 1.00 81.00 C +HETATM 108 OD1 HYP A 18 5.437 -1.502 3.020 1.00 78.72 O +ATOM 109 N GLY A 19 6.135 1.139 -1.343 1.00 79.62 N +ATOM 110 CA GLY A 19 6.558 1.669 -2.604 1.00 77.96 C +ATOM 111 C GLY A 19 8.004 1.293 -2.881 1.00 78.24 C +ATOM 112 O GLY A 19 8.706 0.774 -2.012 1.00 76.51 O +ATOM 113 N PRO A 20 8.451 1.562 -4.088 1.00 77.30 N +ATOM 114 CA PRO A 20 9.818 1.233 -4.446 1.00 78.29 C +ATOM 115 C PRO A 20 10.808 2.181 -3.786 1.00 77.83 C +ATOM 116 O PRO A 20 10.450 3.262 -3.347 1.00 76.56 O +ATOM 117 CB PRO A 20 9.821 1.391 -5.965 1.00 76.78 C +ATOM 118 CG PRO A 20 8.797 2.449 -6.202 1.00 73.34 C +ATOM 119 CD PRO A 20 7.713 2.169 -5.186 1.00 71.57 C +HETATM 120 N HYP A 21 12.062 1.749 -3.695 1.00 79.78 N +HETATM 121 CA HYP A 21 13.082 2.625 -3.219 1.00 84.35 C +HETATM 122 C HYP A 21 13.194 3.892 -4.046 1.00 80.65 C +HETATM 123 O HYP A 21 12.957 3.843 -5.241 1.00 79.40 O +HETATM 124 CB HYP A 21 14.328 1.760 -3.381 1.00 76.73 C +HETATM 125 CG HYP A 21 13.838 0.339 -3.262 1.00 75.89 C +HETATM 126 CD HYP A 21 12.523 0.409 -3.951 1.00 81.86 C +HETATM 127 OD1 HYP A 21 13.626 -0.019 -1.918 1.00 76.73 O +ATOM 128 N GLY A 22 13.471 5.009 -3.390 1.00 79.33 N +ATOM 129 CA GLY A 22 13.599 6.267 -4.069 1.00 77.95 C +ATOM 130 C GLY A 22 14.824 6.288 -4.964 1.00 77.71 C +ATOM 131 O GLY A 22 15.647 5.373 -4.935 1.00 76.36 O +ATOM 132 N PRO A 23 14.960 7.349 -5.731 1.00 77.84 N +ATOM 133 CA PRO A 23 16.108 7.450 -6.619 1.00 81.27 C +ATOM 134 C PRO A 23 17.374 7.715 -5.820 1.00 80.30 C +ATOM 135 O PRO A 23 17.328 8.171 -4.684 1.00 78.21 O +ATOM 136 CB PRO A 23 15.750 8.629 -7.519 1.00 77.36 C +ATOM 137 CG PRO A 23 14.882 9.471 -6.654 1.00 71.31 C +ATOM 138 CD PRO A 23 14.069 8.489 -5.850 1.00 71.45 C +HETATM 139 N HYP A 24 18.465 7.475 -6.344 1.00 76.49 N +HETATM 140 CA HYP A 24 19.726 7.744 -5.720 1.00 78.80 C +HETATM 141 C HYP A 24 19.747 9.139 -5.235 1.00 71.48 C +HETATM 142 O HYP A 24 19.807 10.067 -6.040 1.00 72.27 O +HETATM 143 CB HYP A 24 20.783 7.458 -6.713 1.00 75.15 C +HETATM 144 CG HYP A 24 20.146 6.516 -7.657 1.00 73.15 C +HETATM 145 CD HYP A 24 18.691 6.897 -7.624 1.00 76.64 C +HETATM 146 OD1 HYP A 24 20.276 5.192 -7.175 1.00 77.40 O +HETATM 147 OXT HYP A 24 19.678 9.333 -4.019 1.00 73.06 O +TER 148 HYP A 24 +END diff --git a/protein_pdb_41.txt b/protein_pdb_41.txt new file mode 100644 index 0000000000000000000000000000000000000000..868086de9dcfe755c020c44ab32a7692a151b3fd --- /dev/null +++ b/protein_pdb_41.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -25.886 18.554 13.089 1.00 83.54 N +ATOM 2 CA GLY A 1 -25.077 19.262 12.094 1.00 87.00 C +ATOM 3 C GLY A 1 -24.828 18.425 10.861 1.00 87.80 C +ATOM 4 O GLY A 1 -25.149 17.231 10.838 1.00 84.94 O +ATOM 5 N PRO A 2 -24.243 19.000 9.818 1.00 86.51 N +ATOM 6 CA PRO A 2 -23.968 18.264 8.588 1.00 89.07 C +ATOM 7 C PRO A 2 -22.832 17.262 8.781 1.00 88.81 C +ATOM 8 O PRO A 2 -22.045 17.370 9.713 1.00 87.62 O +ATOM 9 CB PRO A 2 -23.582 19.356 7.591 1.00 86.29 C +ATOM 10 CG PRO A 2 -22.990 20.412 8.448 1.00 81.85 C +ATOM 11 CD PRO A 2 -23.802 20.387 9.724 1.00 83.50 C +HETATM 12 N HYP A 3 -22.821 16.346 7.963 1.00 91.37 N +HETATM 13 CA HYP A 3 -21.695 15.327 7.924 1.00 90.55 C +HETATM 14 C HYP A 3 -20.342 16.009 7.716 1.00 91.57 C +HETATM 15 O HYP A 3 -20.241 17.056 7.050 1.00 91.12 O +HETATM 16 CB HYP A 3 -22.073 14.463 6.744 1.00 89.46 C +HETATM 17 CG HYP A 3 -23.580 14.618 6.563 1.00 88.52 C +HETATM 18 CD HYP A 3 -23.793 16.095 6.927 1.00 90.27 C +HETATM 19 OD1 HYP A 3 -24.304 13.811 7.440 1.00 90.15 O +ATOM 20 N GLY A 4 -19.305 15.459 8.331 1.00 93.04 N +ATOM 21 CA GLY A 4 -17.972 16.003 8.196 1.00 92.15 C +ATOM 22 C GLY A 4 -17.400 15.736 6.810 1.00 92.22 C +ATOM 23 O GLY A 4 -17.988 15.014 6.003 1.00 91.84 O +ATOM 24 N PRO A 5 -16.234 16.327 6.522 1.00 92.91 N +ATOM 25 CA PRO A 5 -15.605 16.129 5.221 1.00 92.47 C +ATOM 26 C PRO A 5 -15.074 14.707 5.066 1.00 92.60 C +ATOM 27 O PRO A 5 -14.852 14.009 6.047 1.00 91.55 O +ATOM 28 CB PRO A 5 -14.482 17.157 5.204 1.00 90.51 C +ATOM 29 CG PRO A 5 -14.128 17.300 6.646 1.00 88.70 C +ATOM 30 CD PRO A 5 -15.439 17.184 7.384 1.00 89.97 C +HETATM 31 N HYP A 6 -14.900 14.316 3.824 1.00 89.67 N +HETATM 32 CA HYP A 6 -14.238 12.994 3.569 1.00 93.45 C +HETATM 33 C HYP A 6 -12.886 12.883 4.170 1.00 89.19 C +HETATM 34 O HYP A 6 -12.153 13.886 4.277 1.00 88.36 O +HETATM 35 CB HYP A 6 -14.223 12.966 2.033 1.00 86.27 C +HETATM 36 CG HYP A 6 -15.378 13.849 1.594 1.00 84.17 C +HETATM 37 CD HYP A 6 -15.331 14.951 2.625 1.00 87.61 C +HETATM 38 OD1 HYP A 6 -16.616 13.176 1.660 1.00 87.13 O +ATOM 39 N GLY A 7 -12.516 11.684 4.666 1.00 95.01 N +ATOM 40 CA GLY A 7 -11.239 11.442 5.293 1.00 94.16 C +ATOM 41 C GLY A 7 -10.101 11.495 4.291 1.00 94.10 C +ATOM 42 O GLY A 7 -10.318 11.569 3.082 1.00 93.50 O +ATOM 43 N PRO A 8 -8.860 11.434 4.792 1.00 90.00 N +ATOM 44 CA PRO A 8 -7.694 11.463 3.916 1.00 89.96 C +ATOM 45 C PRO A 8 -7.544 10.153 3.149 1.00 89.61 C +ATOM 46 O PRO A 8 -8.117 9.131 3.529 1.00 87.93 O +ATOM 47 CB PRO A 8 -6.536 11.688 4.878 1.00 87.86 C +ATOM 48 CG PRO A 8 -7.006 11.041 6.137 1.00 87.19 C +ATOM 49 CD PRO A 8 -8.483 11.330 6.191 1.00 88.68 C +HETATM 50 N HYP A 9 -6.806 10.162 2.092 1.00 89.58 N +HETATM 51 CA HYP A 9 -6.448 8.959 1.358 1.00 90.79 C +HETATM 52 C HYP A 9 -5.788 7.958 2.205 1.00 88.69 C +HETATM 53 O HYP A 9 -5.030 8.329 3.116 1.00 87.70 O +HETATM 54 CB HYP A 9 -5.471 9.508 0.278 1.00 87.65 C +HETATM 55 CG HYP A 9 -5.865 10.920 0.089 1.00 85.66 C +HETATM 56 CD HYP A 9 -6.283 11.320 1.481 1.00 87.12 C +HETATM 57 OD1 HYP A 9 -6.983 11.028 -0.786 1.00 84.67 O +ATOM 58 N GLY A 10 -5.988 6.671 1.923 1.00 92.50 N +ATOM 59 CA GLY A 10 -5.375 5.606 2.672 1.00 90.25 C +ATOM 60 C GLY A 10 -3.867 5.566 2.468 1.00 90.64 C +ATOM 61 O GLY A 10 -3.317 6.279 1.629 1.00 90.16 O +ATOM 62 N PRO A 11 -3.171 4.707 3.241 1.00 89.84 N +ATOM 63 CA PRO A 11 -1.718 4.618 3.113 1.00 89.23 C +ATOM 64 C PRO A 11 -1.292 3.944 1.815 1.00 89.07 C +ATOM 65 O PRO A 11 -2.029 3.156 1.226 1.00 85.98 O +ATOM 66 CB PRO A 11 -1.305 3.796 4.336 1.00 86.34 C +ATOM 67 CG PRO A 11 -2.495 2.933 4.584 1.00 86.52 C +ATOM 68 CD PRO A 11 -3.685 3.806 4.260 1.00 87.76 C +ATOM 69 N ILE A 12 -0.074 4.262 1.376 1.00 90.24 N +ATOM 70 CA ILE A 12 0.493 3.614 0.200 1.00 89.68 C +ATOM 71 C ILE A 12 0.726 2.146 0.553 1.00 89.54 C +ATOM 72 O ILE A 12 1.069 1.817 1.694 1.00 86.44 O +ATOM 73 CB ILE A 12 1.805 4.309 -0.219 1.00 86.88 C +ATOM 74 CG1 ILE A 12 1.514 5.738 -0.674 1.00 83.02 C +ATOM 75 CG2 ILE A 12 2.514 3.533 -1.324 1.00 80.97 C +ATOM 76 CD1 ILE A 12 2.749 6.580 -0.882 1.00 74.74 C +ATOM 77 N GLY A 13 0.511 1.275 -0.430 1.00 91.32 N +ATOM 78 CA GLY A 13 0.660 -0.153 -0.200 1.00 89.47 C +ATOM 79 C GLY A 13 2.078 -0.568 0.149 1.00 90.21 C +ATOM 80 O GLY A 13 3.021 0.208 0.002 1.00 90.47 O +ATOM 81 N PRO A 14 2.248 -1.816 0.610 1.00 90.83 N +ATOM 82 CA PRO A 14 3.571 -2.311 0.984 1.00 91.37 C +ATOM 83 C PRO A 14 4.449 -2.522 -0.240 1.00 91.42 C +ATOM 84 O PRO A 14 3.967 -2.631 -1.358 1.00 90.77 O +ATOM 85 CB PRO A 14 3.272 -3.634 1.690 1.00 89.54 C +ATOM 86 CG PRO A 14 2.016 -4.092 1.044 1.00 87.99 C +ATOM 87 CD PRO A 14 1.214 -2.834 0.806 1.00 88.61 C +HETATM 88 N HYP A 15 5.755 -2.614 -0.008 1.00 85.48 N +HETATM 89 CA HYP A 15 6.711 -2.893 -1.066 1.00 84.15 C +HETATM 90 C HYP A 15 6.442 -4.261 -1.718 1.00 87.95 C +HETATM 91 O HYP A 15 5.898 -5.158 -1.058 1.00 78.64 O +HETATM 92 CB HYP A 15 8.027 -2.950 -0.279 1.00 85.61 C +HETATM 93 CG HYP A 15 7.783 -2.081 0.923 1.00 80.21 C +HETATM 94 CD HYP A 15 6.364 -2.379 1.233 1.00 83.92 C +HETATM 95 OD1 HYP A 15 7.934 -0.714 0.600 1.00 84.03 O +ATOM 96 N GLY A 16 6.747 -4.381 -2.962 1.00 93.04 N +ATOM 97 CA GLY A 16 6.593 -5.639 -3.636 1.00 91.59 C +ATOM 98 C GLY A 16 7.577 -6.671 -3.104 1.00 92.23 C +ATOM 99 O GLY A 16 8.467 -6.349 -2.309 1.00 91.98 O +ATOM 100 N PRO A 17 7.428 -7.934 -3.529 1.00 85.22 N +ATOM 101 CA PRO A 17 8.324 -8.988 -3.062 1.00 86.06 C +ATOM 102 C PRO A 17 9.729 -8.812 -3.618 1.00 86.32 C +ATOM 103 O PRO A 17 9.930 -8.169 -4.642 1.00 87.03 O +ATOM 104 CB PRO A 17 7.664 -10.267 -3.572 1.00 84.01 C +ATOM 105 CG PRO A 17 6.931 -9.823 -4.791 1.00 80.85 C +ATOM 106 CD PRO A 17 6.425 -8.445 -4.464 1.00 80.73 C +HETATM 107 N HYP A 18 10.718 -9.404 -2.951 1.00 88.55 N +HETATM 108 CA HYP A 18 12.080 -9.376 -3.441 1.00 90.77 C +HETATM 109 C HYP A 18 12.231 -10.021 -4.797 1.00 84.65 C +HETATM 110 O HYP A 18 11.512 -10.983 -5.129 1.00 85.70 O +HETATM 111 CB HYP A 18 12.812 -10.199 -2.371 1.00 84.95 C +HETATM 112 CG HYP A 18 11.984 -10.085 -1.126 1.00 82.99 C +HETATM 113 CD HYP A 18 10.584 -10.039 -1.666 1.00 86.87 C +HETATM 114 OD1 HYP A 18 12.244 -8.883 -0.426 1.00 87.23 O +ATOM 115 N GLY A 19 13.086 -9.459 -5.657 1.00 90.52 N +ATOM 116 CA GLY A 19 13.342 -10.006 -6.967 1.00 90.16 C +ATOM 117 C GLY A 19 14.054 -11.341 -6.865 1.00 90.62 C +ATOM 118 O GLY A 19 14.520 -11.735 -5.797 1.00 89.85 O +ATOM 119 N PRO A 20 14.159 -12.060 -7.980 1.00 87.71 N +ATOM 120 CA PRO A 20 14.822 -13.356 -7.978 1.00 87.98 C +ATOM 121 C PRO A 20 16.328 -13.207 -7.846 1.00 87.91 C +ATOM 122 O PRO A 20 16.887 -12.156 -8.138 1.00 86.88 O +ATOM 123 CB PRO A 20 14.424 -13.956 -9.326 1.00 84.91 C +ATOM 124 CG PRO A 20 14.250 -12.760 -10.191 1.00 81.73 C +ATOM 125 CD PRO A 20 13.646 -11.701 -9.295 1.00 83.58 C +HETATM 126 N HYP A 21 17.024 -14.270 -7.392 1.00 92.46 N +HETATM 127 CA HYP A 21 18.464 -14.259 -7.355 1.00 91.29 C +HETATM 128 C HYP A 21 19.112 -14.065 -8.708 1.00 91.19 C +HETATM 129 O HYP A 21 18.530 -14.458 -9.716 1.00 91.04 O +HETATM 130 CB HYP A 21 18.790 -15.690 -6.804 1.00 88.64 C +HETATM 131 CG HYP A 21 17.555 -16.123 -6.034 1.00 86.54 C +HETATM 132 CD HYP A 21 16.443 -15.495 -6.815 1.00 88.09 C +HETATM 133 OD1 HYP A 21 17.554 -15.592 -4.715 1.00 88.10 O +ATOM 134 N GLY A 22 20.247 -13.393 -8.811 1.00 89.54 N +ATOM 135 CA GLY A 22 20.958 -13.187 -10.045 1.00 88.68 C +ATOM 136 C GLY A 22 21.446 -14.510 -10.615 1.00 89.00 C +ATOM 137 O GLY A 22 21.380 -15.549 -9.954 1.00 87.29 O +ATOM 138 N PRO A 23 21.983 -14.486 -11.838 1.00 90.33 N +ATOM 139 CA PRO A 23 22.468 -15.714 -12.461 1.00 90.08 C +ATOM 140 C PRO A 23 23.718 -16.214 -11.756 1.00 89.34 C +ATOM 141 O PRO A 23 24.450 -15.446 -11.130 1.00 86.25 O +ATOM 142 CB PRO A 23 22.743 -15.304 -13.899 1.00 86.64 C +ATOM 143 CG PRO A 23 23.042 -13.845 -13.805 1.00 84.25 C +ATOM 144 CD PRO A 23 22.136 -13.335 -12.715 1.00 84.88 C +HETATM 145 N HYP A 24 24.062 -17.469 -11.869 1.00 90.49 N +HETATM 146 CA HYP A 24 25.265 -17.980 -11.202 1.00 87.61 C +HETATM 147 C HYP A 24 26.467 -17.278 -11.720 1.00 89.96 C +HETATM 148 O HYP A 24 27.297 -16.945 -10.945 1.00 88.10 O +HETATM 149 CB HYP A 24 25.294 -19.490 -11.646 1.00 89.67 C +HETATM 150 CG HYP A 24 23.903 -19.839 -12.061 1.00 87.78 C +HETATM 151 CD HYP A 24 23.331 -18.510 -12.576 1.00 89.90 C +HETATM 152 OD1 HYP A 24 23.149 -20.251 -10.934 1.00 84.01 O +HETATM 153 OXT HYP A 24 26.556 -17.098 -12.958 1.00 83.42 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_410.txt b/protein_pdb_410.txt new file mode 100644 index 0000000000000000000000000000000000000000..7067046ab498873eccbebe1459f47fdd66f25767 --- /dev/null +++ b/protein_pdb_410.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 5.583 -5.301 -12.941 1.00 83.30 N +ATOM 2 CA GLY A 1 5.502 -3.851 -12.938 1.00 85.03 C +ATOM 3 C GLY A 1 5.956 -3.294 -11.613 1.00 85.52 C +ATOM 4 O GLY A 1 6.340 -4.050 -10.719 1.00 82.71 O +ATOM 5 N PRO A 2 5.910 -1.983 -11.453 1.00 87.82 N +ATOM 6 CA PRO A 2 6.354 -1.362 -10.209 1.00 88.58 C +ATOM 7 C PRO A 2 5.431 -1.689 -9.046 1.00 88.54 C +ATOM 8 O PRO A 2 4.286 -2.087 -9.232 1.00 86.31 O +ATOM 9 CB PRO A 2 6.354 0.123 -10.537 1.00 85.96 C +ATOM 10 CG PRO A 2 5.329 0.260 -11.606 1.00 82.75 C +ATOM 11 CD PRO A 2 5.473 -0.994 -12.428 1.00 84.11 C +HETATM 12 N HYP A 3 5.948 -1.549 -7.894 1.00 84.16 N +HETATM 13 CA HYP A 3 5.135 -1.714 -6.687 1.00 82.65 C +HETATM 14 C HYP A 3 3.964 -0.764 -6.670 1.00 83.38 C +HETATM 15 O HYP A 3 4.052 0.343 -7.236 1.00 90.73 O +HETATM 16 CB HYP A 3 6.129 -1.366 -5.557 1.00 84.66 C +HETATM 17 CG HYP A 3 7.487 -1.725 -6.133 1.00 81.43 C +HETATM 18 CD HYP A 3 7.326 -1.283 -7.606 1.00 87.02 C +HETATM 19 OD1 HYP A 3 7.632 -3.122 -6.082 1.00 85.39 O +ATOM 20 N GLY A 4 2.903 -1.212 -6.072 1.00 89.92 N +ATOM 21 CA GLY A 4 1.730 -0.395 -5.982 1.00 89.39 C +ATOM 22 C GLY A 4 1.969 0.780 -5.050 1.00 89.41 C +ATOM 23 O GLY A 4 3.006 0.865 -4.394 1.00 89.44 O +ATOM 24 N PRO A 5 1.009 1.698 -4.989 1.00 89.82 N +ATOM 25 CA PRO A 5 1.151 2.870 -4.126 1.00 89.48 C +ATOM 26 C PRO A 5 1.004 2.504 -2.661 1.00 89.33 C +ATOM 27 O PRO A 5 0.508 1.435 -2.318 1.00 87.59 O +ATOM 28 CB PRO A 5 0.027 3.782 -4.604 1.00 87.93 C +ATOM 29 CG PRO A 5 -1.017 2.835 -5.071 1.00 86.25 C +ATOM 30 CD PRO A 5 -0.242 1.717 -5.731 1.00 87.93 C +HETATM 31 N HYP A 6 1.456 3.404 -1.803 1.00 87.78 N +HETATM 32 CA HYP A 6 1.285 3.206 -0.389 1.00 90.95 C +HETATM 33 C HYP A 6 -0.166 3.079 0.009 1.00 89.28 C +HETATM 34 O HYP A 6 -1.038 3.715 -0.633 1.00 90.78 O +HETATM 35 CB HYP A 6 1.877 4.524 0.190 1.00 86.05 C +HETATM 36 CG HYP A 6 2.882 4.984 -0.855 1.00 86.62 C +HETATM 37 CD HYP A 6 2.178 4.598 -2.145 1.00 88.24 C +HETATM 38 OD1 HYP A 6 4.063 4.225 -0.721 1.00 86.78 O +ATOM 39 N GLY A 7 -0.420 2.264 0.978 1.00 88.81 N +ATOM 40 CA GLY A 7 -1.767 2.067 1.434 1.00 87.66 C +ATOM 41 C GLY A 7 -2.271 3.309 2.143 1.00 87.83 C +ATOM 42 O GLY A 7 -1.535 4.280 2.327 1.00 87.09 O +ATOM 43 N PRO A 8 -3.538 3.295 2.542 1.00 90.11 N +ATOM 44 CA PRO A 8 -4.113 4.440 3.227 1.00 89.55 C +ATOM 45 C PRO A 8 -3.599 4.552 4.656 1.00 89.81 C +ATOM 46 O PRO A 8 -3.076 3.597 5.219 1.00 87.83 O +ATOM 47 CB PRO A 8 -5.608 4.154 3.191 1.00 87.90 C +ATOM 48 CG PRO A 8 -5.675 2.669 3.214 1.00 87.27 C +ATOM 49 CD PRO A 8 -4.503 2.224 2.361 1.00 88.60 C +HETATM 50 N HYP A 9 -3.753 5.736 5.247 1.00 84.35 N +HETATM 51 CA HYP A 9 -3.394 5.915 6.595 1.00 87.57 C +HETATM 52 C HYP A 9 -4.254 5.058 7.513 1.00 84.47 C +HETATM 53 O HYP A 9 -5.403 4.724 7.155 1.00 86.77 O +HETATM 54 CB HYP A 9 -3.734 7.418 6.868 1.00 80.43 C +HETATM 55 CG HYP A 9 -3.669 8.052 5.519 1.00 79.76 C +HETATM 56 CD HYP A 9 -4.170 6.994 4.601 1.00 82.75 C +HETATM 57 OD1 HYP A 9 -2.319 8.330 5.212 1.00 79.01 O +ATOM 58 N GLY A 10 -3.770 4.715 8.636 1.00 86.71 N +ATOM 59 CA GLY A 10 -4.577 4.009 9.607 1.00 83.77 C +ATOM 60 C GLY A 10 -5.609 4.980 10.151 1.00 83.57 C +ATOM 61 O GLY A 10 -5.898 6.003 9.536 1.00 81.15 O +ATOM 62 N HIS A 11 -6.169 4.681 11.311 1.00 88.04 N +ATOM 63 CA HIS A 11 -7.146 5.602 11.901 1.00 90.19 C +ATOM 64 C HIS A 11 -6.571 7.014 11.909 1.00 90.18 C +ATOM 65 O HIS A 11 -7.249 7.972 11.561 1.00 85.63 O +ATOM 66 CB HIS A 11 -7.486 5.162 13.326 1.00 88.94 C +ATOM 67 CG HIS A 11 -8.351 3.940 13.364 1.00 84.60 C +ATOM 68 ND1 HIS A 11 -9.629 3.940 13.875 1.00 77.06 N +ATOM 69 CD2 HIS A 11 -8.120 2.678 12.950 1.00 74.11 C +ATOM 70 CE1 HIS A 11 -10.127 2.712 13.766 1.00 75.63 C +ATOM 71 NE2 HIS A 11 -9.241 1.929 13.209 1.00 76.97 N +ATOM 72 N LYS A 12 -5.318 7.115 12.293 1.00 84.86 N +ATOM 73 CA LYS A 12 -4.563 8.362 12.270 1.00 87.69 C +ATOM 74 C LYS A 12 -3.089 7.984 12.315 1.00 87.64 C +ATOM 75 O LYS A 12 -2.395 8.249 13.292 1.00 82.99 O +ATOM 76 CB LYS A 12 -4.933 9.267 13.454 1.00 82.68 C +ATOM 77 CG LYS A 12 -5.634 10.542 13.028 1.00 79.31 C +ATOM 78 CD LYS A 12 -6.043 11.397 14.213 1.00 73.94 C +ATOM 79 CE LYS A 12 -5.115 12.572 14.405 1.00 69.47 C +ATOM 80 NZ LYS A 12 -5.565 13.436 15.533 1.00 64.36 N +ATOM 81 N GLY A 13 -2.623 7.339 11.257 1.00 93.18 N +ATOM 82 CA GLY A 13 -1.259 6.853 11.239 1.00 92.62 C +ATOM 83 C GLY A 13 -0.662 6.933 9.857 1.00 92.63 C +ATOM 84 O GLY A 13 -1.268 7.479 8.940 1.00 92.07 O +ATOM 85 N PRO A 14 0.539 6.408 9.708 1.00 92.24 N +ATOM 86 CA PRO A 14 1.232 6.466 8.428 1.00 91.38 C +ATOM 87 C PRO A 14 0.543 5.619 7.371 1.00 91.30 C +ATOM 88 O PRO A 14 -0.231 4.723 7.680 1.00 89.28 O +ATOM 89 CB PRO A 14 2.630 5.948 8.751 1.00 89.82 C +ATOM 90 CG PRO A 14 2.405 5.032 9.905 1.00 89.37 C +ATOM 91 CD PRO A 14 1.325 5.705 10.711 1.00 89.88 C +HETATM 92 N HYP A 15 0.849 5.963 6.160 1.00 89.38 N +HETATM 93 CA HYP A 15 0.369 5.136 5.056 1.00 88.87 C +HETATM 94 C HYP A 15 0.846 3.726 5.149 1.00 90.48 C +HETATM 95 O HYP A 15 1.911 3.472 5.753 1.00 91.43 O +HETATM 96 CB HYP A 15 1.001 5.884 3.848 1.00 86.59 C +HETATM 97 CG HYP A 15 1.195 7.320 4.334 1.00 84.34 C +HETATM 98 CD HYP A 15 1.573 7.132 5.787 1.00 88.53 C +HETATM 99 OD1 HYP A 15 -0.012 8.019 4.226 1.00 87.99 O +ATOM 100 N GLY A 16 0.093 2.822 4.594 1.00 93.31 N +ATOM 101 CA GLY A 16 0.477 1.445 4.583 1.00 92.57 C +ATOM 102 C GLY A 16 1.640 1.229 3.629 1.00 92.90 C +ATOM 103 O GLY A 16 2.075 2.156 2.945 1.00 92.48 O +ATOM 104 N PRO A 17 2.152 -0.005 3.588 1.00 93.11 N +ATOM 105 CA PRO A 17 3.274 -0.304 2.711 1.00 92.48 C +ATOM 106 C PRO A 17 2.859 -0.308 1.251 1.00 92.81 C +ATOM 107 O PRO A 17 1.679 -0.402 0.923 1.00 91.49 O +ATOM 108 CB PRO A 17 3.727 -1.681 3.187 1.00 91.32 C +ATOM 109 CG PRO A 17 2.475 -2.293 3.708 1.00 90.45 C +ATOM 110 CD PRO A 17 1.738 -1.159 4.361 1.00 91.61 C +HETATM 111 N HYP A 18 3.831 -0.196 0.373 1.00 89.17 N +HETATM 112 CA HYP A 18 3.572 -0.316 -1.025 1.00 89.95 C +HETATM 113 C HYP A 18 2.918 -1.610 -1.387 1.00 87.58 C +HETATM 114 O HYP A 18 3.155 -2.640 -0.709 1.00 90.72 O +HETATM 115 CB HYP A 18 4.983 -0.226 -1.634 1.00 86.42 C +HETATM 116 CG HYP A 18 5.787 0.576 -0.626 1.00 87.08 C +HETATM 117 CD HYP A 18 5.204 0.089 0.683 1.00 89.89 C +HETATM 118 OD1 HYP A 18 5.506 1.956 -0.789 1.00 88.10 O +ATOM 119 N GLY A 19 2.123 -1.592 -2.405 1.00 91.22 N +ATOM 120 CA GLY A 19 1.485 -2.783 -2.879 1.00 90.85 C +ATOM 121 C GLY A 19 2.499 -3.688 -3.552 1.00 90.82 C +ATOM 122 O GLY A 19 3.654 -3.315 -3.740 1.00 90.86 O +ATOM 123 N PRO A 20 2.066 -4.890 -3.926 1.00 82.70 N +ATOM 124 CA PRO A 20 2.967 -5.831 -4.577 1.00 82.59 C +ATOM 125 C PRO A 20 3.290 -5.387 -5.995 1.00 82.22 C +ATOM 126 O PRO A 20 2.606 -4.557 -6.578 1.00 82.96 O +ATOM 127 CB PRO A 20 2.177 -7.135 -4.552 1.00 80.47 C +ATOM 128 CG PRO A 20 0.766 -6.685 -4.580 1.00 76.64 C +ATOM 129 CD PRO A 20 0.735 -5.434 -3.732 1.00 77.06 C +HETATM 130 N HYP A 21 4.361 -5.935 -6.528 1.00 81.05 N +HETATM 131 CA HYP A 21 4.698 -5.684 -7.897 1.00 82.58 C +HETATM 132 C HYP A 21 3.587 -6.004 -8.879 1.00 78.19 C +HETATM 133 O HYP A 21 2.845 -6.968 -8.628 1.00 89.44 O +HETATM 134 CB HYP A 21 5.891 -6.592 -8.165 1.00 82.17 C +HETATM 135 CG HYP A 21 6.518 -6.793 -6.791 1.00 78.60 C +HETATM 136 CD HYP A 21 5.323 -6.814 -5.876 1.00 85.51 C +HETATM 137 OD1 HYP A 21 7.300 -5.642 -6.451 1.00 82.86 O +ATOM 138 N GLY A 22 3.412 -5.198 -9.873 1.00 88.22 N +ATOM 139 CA GLY A 22 2.403 -5.429 -10.860 1.00 85.95 C +ATOM 140 C GLY A 22 2.817 -6.595 -11.753 1.00 85.40 C +ATOM 141 O GLY A 22 3.887 -7.175 -11.575 1.00 85.40 O +ATOM 142 N PRO A 23 1.988 -6.937 -12.730 1.00 88.44 N +ATOM 143 CA PRO A 23 2.321 -8.039 -13.617 1.00 87.85 C +ATOM 144 C PRO A 23 3.528 -7.698 -14.468 1.00 86.84 C +ATOM 145 O PRO A 23 3.854 -6.536 -14.678 1.00 83.11 O +ATOM 146 CB PRO A 23 1.062 -8.220 -14.457 1.00 84.06 C +ATOM 147 CG PRO A 23 0.437 -6.870 -14.440 1.00 80.93 C +ATOM 148 CD PRO A 23 0.721 -6.332 -13.059 1.00 83.72 C +HETATM 149 N HYP A 24 4.177 -8.611 -14.991 1.00 87.95 N +HETATM 150 CA HYP A 24 5.401 -8.337 -15.750 1.00 82.44 C +HETATM 151 C HYP A 24 5.502 -7.009 -16.383 1.00 83.68 C +HETATM 152 O HYP A 24 6.147 -6.810 -17.400 1.00 82.05 O +HETATM 153 CB HYP A 24 5.612 -9.546 -16.583 1.00 84.67 C +HETATM 154 CG HYP A 24 4.837 -10.652 -15.927 1.00 84.49 C +HETATM 155 CD HYP A 24 3.701 -9.945 -15.210 1.00 88.02 C +HETATM 156 OD1 HYP A 24 5.633 -11.277 -14.933 1.00 84.10 O +HETATM 157 OXT HYP A 24 4.912 -6.092 -15.850 1.00 81.72 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_411.txt b/protein_pdb_411.txt new file mode 100644 index 0000000000000000000000000000000000000000..99b5ffb97e45dcd06a1efaaa5b0ca1d0f3a32da1 --- /dev/null +++ b/protein_pdb_411.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 11.186 -7.964 4.844 1.00 87.14 N +ATOM 2 CA GLY A 1 10.523 -8.202 3.568 1.00 88.13 C +ATOM 3 C GLY A 1 10.236 -6.910 2.859 1.00 89.13 C +ATOM 4 O GLY A 1 10.466 -5.825 3.394 1.00 87.31 O +ATOM 5 N PRO A 2 9.715 -6.985 1.631 1.00 87.94 N +ATOM 6 CA PRO A 2 9.424 -5.784 0.861 1.00 89.28 C +ATOM 7 C PRO A 2 8.222 -5.039 1.406 1.00 89.43 C +ATOM 8 O PRO A 2 7.422 -5.576 2.156 1.00 87.06 O +ATOM 9 CB PRO A 2 9.147 -6.333 -0.541 1.00 86.75 C +ATOM 10 CG PRO A 2 8.636 -7.706 -0.301 1.00 82.43 C +ATOM 11 CD PRO A 2 9.372 -8.205 0.909 1.00 83.08 C +HETATM 12 N HYP A 3 8.142 -3.793 1.033 1.00 87.37 N +HETATM 13 CA HYP A 3 6.966 -3.019 1.378 1.00 87.96 C +HETATM 14 C HYP A 3 5.712 -3.676 0.885 1.00 89.28 C +HETATM 15 O HYP A 3 5.735 -4.338 -0.180 1.00 91.32 O +HETATM 16 CB HYP A 3 7.174 -1.668 0.622 1.00 87.42 C +HETATM 17 CG HYP A 3 8.679 -1.554 0.494 1.00 81.27 C +HETATM 18 CD HYP A 3 9.106 -3.020 0.237 1.00 86.46 C +HETATM 19 OD1 HYP A 3 9.188 -1.124 1.724 1.00 85.55 O +ATOM 20 N GLY A 4 4.690 -3.572 1.677 1.00 93.00 N +ATOM 21 CA GLY A 4 3.415 -4.096 1.273 1.00 92.55 C +ATOM 22 C GLY A 4 2.858 -3.337 0.084 1.00 93.11 C +ATOM 23 O GLY A 4 3.338 -2.266 -0.278 1.00 93.26 O +ATOM 24 N PRO A 5 1.839 -3.913 -0.534 1.00 92.24 N +ATOM 25 CA PRO A 5 1.237 -3.261 -1.688 1.00 92.16 C +ATOM 26 C PRO A 5 0.459 -2.026 -1.276 1.00 91.84 C +ATOM 27 O PRO A 5 0.091 -1.860 -0.121 1.00 90.60 O +ATOM 28 CB PRO A 5 0.320 -4.336 -2.252 1.00 91.00 C +ATOM 29 CG PRO A 5 -0.047 -5.157 -1.063 1.00 89.07 C +ATOM 30 CD PRO A 5 1.168 -5.152 -0.187 1.00 90.70 C +HETATM 31 N HYP A 6 0.225 -1.177 -2.272 1.00 91.88 N +HETATM 32 CA HYP A 6 -0.617 -0.043 -2.020 1.00 93.58 C +HETATM 33 C HYP A 6 -1.981 -0.478 -1.590 1.00 93.37 C +HETATM 34 O HYP A 6 -2.447 -1.560 -1.991 1.00 92.79 O +HETATM 35 CB HYP A 6 -0.695 0.624 -3.432 1.00 88.97 C +HETATM 36 CG HYP A 6 0.580 0.212 -4.116 1.00 87.09 C +HETATM 37 CD HYP A 6 0.763 -1.220 -3.637 1.00 90.19 C +HETATM 38 OD1 HYP A 6 1.639 1.010 -3.639 1.00 87.92 O +ATOM 39 N GLY A 7 -2.576 0.276 -0.739 1.00 94.02 N +ATOM 40 CA GLY A 7 -3.913 -0.006 -0.306 1.00 93.35 C +ATOM 41 C GLY A 7 -4.889 0.076 -1.463 1.00 93.90 C +ATOM 42 O GLY A 7 -4.581 0.605 -2.526 1.00 93.83 O +ATOM 43 N PRO A 8 -6.065 -0.457 -1.243 1.00 93.44 N +ATOM 44 CA PRO A 8 -7.063 -0.432 -2.300 1.00 92.95 C +ATOM 45 C PRO A 8 -7.606 0.967 -2.517 1.00 92.92 C +ATOM 46 O PRO A 8 -7.575 1.809 -1.631 1.00 91.36 O +ATOM 47 CB PRO A 8 -8.145 -1.371 -1.785 1.00 91.43 C +ATOM 48 CG PRO A 8 -8.023 -1.275 -0.312 1.00 90.36 C +ATOM 49 CD PRO A 8 -6.554 -1.085 -0.031 1.00 92.28 C +HETATM 50 N HYP A 9 -8.119 1.172 -3.734 1.00 90.27 N +HETATM 51 CA HYP A 9 -8.749 2.396 -4.007 1.00 91.57 C +HETATM 52 C HYP A 9 -10.002 2.520 -3.197 1.00 91.88 C +HETATM 53 O HYP A 9 -10.715 1.543 -2.949 1.00 90.08 O +HETATM 54 CB HYP A 9 -9.195 2.271 -5.505 1.00 85.31 C +HETATM 55 CG HYP A 9 -8.276 1.265 -6.076 1.00 82.91 C +HETATM 56 CD HYP A 9 -8.027 0.322 -4.970 1.00 87.85 C +HETATM 57 OD1 HYP A 9 -7.062 1.891 -6.426 1.00 84.65 O +ATOM 58 N GLY A 10 -10.293 3.660 -2.680 1.00 91.01 N +ATOM 59 CA GLY A 10 -11.588 3.927 -2.102 1.00 88.95 C +ATOM 60 C GLY A 10 -12.585 4.163 -3.218 1.00 88.94 C +ATOM 61 O GLY A 10 -12.357 3.807 -4.375 1.00 87.91 O +ATOM 62 N ASN A 11 -13.666 4.777 -2.871 1.00 90.53 N +ATOM 63 CA ASN A 11 -14.652 5.141 -3.884 1.00 92.61 C +ATOM 64 C ASN A 11 -14.065 6.284 -4.705 1.00 92.97 C +ATOM 65 O ASN A 11 -14.163 7.452 -4.326 1.00 91.95 O +ATOM 66 CB ASN A 11 -15.954 5.547 -3.200 1.00 91.07 C +ATOM 67 CG ASN A 11 -17.046 5.876 -4.180 1.00 85.09 C +ATOM 68 OD1 ASN A 11 -16.892 5.700 -5.386 1.00 81.88 O +ATOM 69 ND2 ASN A 11 -18.161 6.357 -3.678 1.00 78.89 N +ATOM 70 N SER A 12 -13.402 5.924 -5.780 1.00 90.60 N +ATOM 71 CA SER A 12 -12.565 6.820 -6.577 1.00 91.32 C +ATOM 72 C SER A 12 -11.397 7.382 -5.794 1.00 92.09 C +ATOM 73 O SER A 12 -10.705 8.275 -6.275 1.00 87.66 O +ATOM 74 CB SER A 12 -13.373 7.965 -7.197 1.00 88.17 C +ATOM 75 OG SER A 12 -14.259 7.462 -8.163 1.00 81.41 O +ATOM 76 N GLY A 13 -11.158 6.849 -4.616 1.00 93.50 N +ATOM 77 CA GLY A 13 -10.035 7.289 -3.821 1.00 92.64 C +ATOM 78 C GLY A 13 -8.743 6.693 -4.330 1.00 93.19 C +ATOM 79 O GLY A 13 -8.737 5.640 -4.964 1.00 93.13 O +ATOM 80 N PRO A 14 -7.645 7.360 -4.055 1.00 92.61 N +ATOM 81 CA PRO A 14 -6.356 6.841 -4.489 1.00 92.48 C +ATOM 82 C PRO A 14 -5.961 5.618 -3.690 1.00 92.81 C +ATOM 83 O PRO A 14 -6.459 5.377 -2.593 1.00 91.71 O +ATOM 84 CB PRO A 14 -5.403 8.002 -4.230 1.00 91.02 C +ATOM 85 CG PRO A 14 -6.029 8.740 -3.100 1.00 89.65 C +ATOM 86 CD PRO A 14 -7.518 8.603 -3.296 1.00 90.76 C +HETATM 87 N HYP A 15 -5.042 4.888 -4.282 1.00 93.76 N +HETATM 88 CA HYP A 15 -4.481 3.790 -3.553 1.00 92.18 C +HETATM 89 C HYP A 15 -3.814 4.259 -2.303 1.00 94.58 C +HETATM 90 O HYP A 15 -3.279 5.387 -2.265 1.00 93.19 O +HETATM 91 CB HYP A 15 -3.438 3.237 -4.561 1.00 89.56 C +HETATM 92 CG HYP A 15 -3.938 3.671 -5.934 1.00 87.78 C +HETATM 93 CD HYP A 15 -4.526 5.024 -5.655 1.00 91.73 C +HETATM 94 OD1 HYP A 15 -4.939 2.790 -6.379 1.00 89.18 O +ATOM 95 N GLY A 16 -3.885 3.467 -1.281 1.00 94.91 N +ATOM 96 CA GLY A 16 -3.180 3.770 -0.069 1.00 94.75 C +ATOM 97 C GLY A 16 -1.686 3.644 -0.257 1.00 95.23 C +ATOM 98 O GLY A 16 -1.212 3.143 -1.277 1.00 95.10 O +ATOM 99 N PRO A 17 -0.950 4.107 0.736 1.00 93.40 N +ATOM 100 CA PRO A 17 0.499 4.001 0.654 1.00 92.98 C +ATOM 101 C PRO A 17 0.953 2.560 0.770 1.00 93.42 C +ATOM 102 O PRO A 17 0.222 1.699 1.253 1.00 92.08 O +ATOM 103 CB PRO A 17 0.978 4.838 1.830 1.00 91.97 C +ATOM 104 CG PRO A 17 -0.141 4.766 2.800 1.00 90.88 C +ATOM 105 CD PRO A 17 -1.399 4.705 1.982 1.00 92.05 C +HETATM 106 N HYP A 18 2.179 2.317 0.320 1.00 90.69 N +HETATM 107 CA HYP A 18 2.734 1.037 0.511 1.00 90.28 C +HETATM 108 C HYP A 18 2.795 0.669 1.964 1.00 92.25 C +HETATM 109 O HYP A 18 2.976 1.558 2.817 1.00 91.46 O +HETATM 110 CB HYP A 18 4.155 1.178 -0.053 1.00 87.85 C +HETATM 111 CG HYP A 18 4.046 2.288 -1.067 1.00 87.03 C +HETATM 112 CD HYP A 18 3.062 3.227 -0.404 1.00 91.16 C +HETATM 113 OD1 HYP A 18 3.481 1.784 -2.273 1.00 87.74 O +ATOM 114 N GLY A 19 2.584 -0.572 2.238 1.00 90.90 N +ATOM 115 CA GLY A 19 2.714 -1.054 3.579 1.00 90.49 C +ATOM 116 C GLY A 19 4.149 -0.990 4.054 1.00 90.81 C +ATOM 117 O GLY A 19 5.074 -0.759 3.277 1.00 91.43 O +ATOM 118 N PRO A 20 4.332 -1.199 5.337 1.00 82.01 N +ATOM 119 CA PRO A 20 5.677 -1.188 5.882 1.00 82.55 C +ATOM 120 C PRO A 20 6.463 -2.408 5.427 1.00 81.71 C +ATOM 121 O PRO A 20 5.897 -3.394 4.974 1.00 83.95 O +ATOM 122 CB PRO A 20 5.439 -1.205 7.385 1.00 81.60 C +ATOM 123 CG PRO A 20 4.136 -1.895 7.530 1.00 77.76 C +ATOM 124 CD PRO A 20 3.319 -1.497 6.338 1.00 77.34 C +HETATM 125 N HYP A 21 7.778 -2.291 5.546 1.00 85.96 N +HETATM 126 CA HYP A 21 8.587 -3.435 5.278 1.00 86.38 C +HETATM 127 C HYP A 21 8.193 -4.633 6.096 1.00 87.56 C +HETATM 128 O HYP A 21 7.745 -4.457 7.218 1.00 91.46 O +HETATM 129 CB HYP A 21 10.002 -2.961 5.628 1.00 84.40 C +HETATM 130 CG HYP A 21 9.965 -1.468 5.399 1.00 79.28 C +HETATM 131 CD HYP A 21 8.582 -1.095 5.871 1.00 85.94 C +HETATM 132 OD1 HYP A 21 10.056 -1.206 3.999 1.00 83.88 O +ATOM 133 N GLY A 22 8.235 -5.779 5.496 1.00 87.01 N +ATOM 134 CA GLY A 22 7.917 -6.992 6.187 1.00 83.96 C +ATOM 135 C GLY A 22 8.931 -7.290 7.282 1.00 83.24 C +ATOM 136 O GLY A 22 9.875 -6.535 7.503 1.00 84.09 O +ATOM 137 N PRO A 23 8.733 -8.405 7.967 1.00 91.61 N +ATOM 138 CA PRO A 23 9.652 -8.754 9.044 1.00 91.36 C +ATOM 139 C PRO A 23 11.052 -9.008 8.511 1.00 90.03 C +ATOM 140 O PRO A 23 11.252 -9.315 7.345 1.00 87.27 O +ATOM 141 CB PRO A 23 9.042 -10.017 9.646 1.00 88.90 C +ATOM 142 CG PRO A 23 8.145 -10.544 8.602 1.00 86.05 C +ATOM 143 CD PRO A 23 7.690 -9.392 7.770 1.00 88.32 C +HETATM 144 N HYP A 24 11.974 -8.878 9.289 1.00 91.57 N +HETATM 145 CA HYP A 24 13.335 -9.027 8.820 1.00 88.62 C +HETATM 146 C HYP A 24 13.476 -9.910 7.650 1.00 89.59 C +HETATM 147 O HYP A 24 14.451 -10.648 7.499 1.00 85.01 O +HETATM 148 CB HYP A 24 14.085 -9.413 10.052 1.00 86.37 C +HETATM 149 CG HYP A 24 13.230 -9.027 11.236 1.00 84.50 C +HETATM 150 CD HYP A 24 11.834 -9.023 10.701 1.00 89.39 C +HETATM 151 OD1 HYP A 24 13.531 -7.705 11.665 1.00 85.83 O +HETATM 152 OXT HYP A 24 12.620 -9.857 6.780 1.00 81.85 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_412.txt b/protein_pdb_412.txt new file mode 100644 index 0000000000000000000000000000000000000000..d985cd31896f0251fef4e6f3e30eb10524de6ab1 --- /dev/null +++ b/protein_pdb_412.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 1.946 -15.226 -6.483 1.00 92.20 N +ATOM 2 CA GLY A 1 1.524 -14.087 -7.234 1.00 92.52 C +ATOM 3 C GLY A 1 2.425 -12.877 -7.069 1.00 93.54 C +ATOM 4 O GLY A 1 3.316 -12.867 -6.222 1.00 92.41 O +ATOM 5 N PRO A 2 2.198 -11.897 -7.839 1.00 92.72 N +ATOM 6 CA PRO A 2 2.997 -10.682 -7.807 1.00 93.38 C +ATOM 7 C PRO A 2 2.648 -9.793 -6.620 1.00 93.10 C +ATOM 8 O PRO A 2 1.642 -10.001 -5.947 1.00 91.77 O +ATOM 9 CB PRO A 2 2.646 -10.010 -9.128 1.00 91.53 C +ATOM 10 CG PRO A 2 1.227 -10.416 -9.348 1.00 88.43 C +ATOM 11 CD PRO A 2 1.160 -11.840 -8.864 1.00 90.77 C +HETATM 12 N HYP A 3 3.504 -8.802 -6.404 1.00 92.47 N +HETATM 13 CA HYP A 3 3.220 -7.863 -5.334 1.00 91.16 C +HETATM 14 C HYP A 3 1.921 -7.139 -5.554 1.00 93.48 C +HETATM 15 O HYP A 3 1.526 -6.928 -6.716 1.00 94.30 O +HETATM 16 CB HYP A 3 4.411 -6.866 -5.434 1.00 89.48 C +HETATM 17 CG HYP A 3 5.508 -7.703 -6.006 1.00 88.01 C +HETATM 18 CD HYP A 3 4.777 -8.598 -7.014 1.00 89.97 C +HETATM 19 OD1 HYP A 3 6.063 -8.475 -4.992 1.00 89.55 O +ATOM 20 N GLY A 4 1.259 -6.826 -4.486 1.00 93.72 N +ATOM 21 CA GLY A 4 0.024 -6.101 -4.557 1.00 93.57 C +ATOM 22 C GLY A 4 0.274 -4.669 -4.987 1.00 94.14 C +ATOM 23 O GLY A 4 1.416 -4.222 -5.078 1.00 94.06 O +ATOM 24 N PRO A 5 -0.788 -3.932 -5.252 1.00 94.04 N +ATOM 25 CA PRO A 5 -0.658 -2.547 -5.674 1.00 93.89 C +ATOM 26 C PRO A 5 -0.197 -1.654 -4.529 1.00 93.60 C +ATOM 27 O PRO A 5 -0.295 -2.017 -3.360 1.00 92.72 O +ATOM 28 CB PRO A 5 -2.061 -2.186 -6.138 1.00 92.58 C +ATOM 29 CG PRO A 5 -2.940 -3.051 -5.292 1.00 90.81 C +ATOM 30 CD PRO A 5 -2.187 -4.343 -5.176 1.00 92.91 C +HETATM 31 N HYP A 6 0.339 -0.473 -4.902 1.00 93.38 N +HETATM 32 CA HYP A 6 0.681 0.491 -3.884 1.00 94.66 C +HETATM 33 C HYP A 6 -0.464 0.859 -3.014 1.00 94.45 C +HETATM 34 O HYP A 6 -1.637 0.853 -3.482 1.00 95.20 O +HETATM 35 CB HYP A 6 1.154 1.705 -4.717 1.00 92.41 C +HETATM 36 CG HYP A 6 1.673 1.072 -5.965 1.00 91.18 C +HETATM 37 CD HYP A 6 0.696 -0.038 -6.206 1.00 92.67 C +HETATM 38 OD1 HYP A 6 2.949 0.564 -5.724 1.00 90.70 O +ATOM 39 N GLY A 7 -0.197 1.100 -1.779 1.00 95.12 N +ATOM 40 CA GLY A 7 -1.208 1.504 -0.842 1.00 95.16 C +ATOM 41 C GLY A 7 -1.764 2.863 -1.227 1.00 95.73 C +ATOM 42 O GLY A 7 -1.232 3.546 -2.095 1.00 95.52 O +ATOM 43 N PRO A 8 -2.841 3.255 -0.591 1.00 94.64 N +ATOM 44 CA PRO A 8 -3.459 4.539 -0.899 1.00 94.67 C +ATOM 45 C PRO A 8 -2.607 5.701 -0.411 1.00 94.43 C +ATOM 46 O PRO A 8 -1.808 5.569 0.509 1.00 93.62 O +ATOM 47 CB PRO A 8 -4.795 4.473 -0.176 1.00 93.41 C +ATOM 48 CG PRO A 8 -4.518 3.582 0.978 1.00 92.16 C +ATOM 49 CD PRO A 8 -3.571 2.536 0.443 1.00 94.02 C +HETATM 50 N HYP A 9 -2.799 6.872 -1.045 1.00 94.07 N +HETATM 51 CA HYP A 9 -2.119 8.036 -0.609 1.00 93.09 C +HETATM 52 C HYP A 9 -2.540 8.423 0.779 1.00 94.65 C +HETATM 53 O HYP A 9 -3.649 8.138 1.207 1.00 93.98 O +HETATM 54 CB HYP A 9 -2.643 9.158 -1.564 1.00 90.83 C +HETATM 55 CG HYP A 9 -3.105 8.447 -2.742 1.00 91.59 C +HETATM 56 CD HYP A 9 -3.607 7.135 -2.249 1.00 93.15 C +HETATM 57 OD1 HYP A 9 -1.997 8.208 -3.585 1.00 91.49 O +ATOM 58 N GLY A 10 -1.688 9.065 1.504 1.00 94.57 N +ATOM 59 CA GLY A 10 -2.047 9.612 2.787 1.00 93.88 C +ATOM 60 C GLY A 10 -2.885 10.854 2.565 1.00 94.20 C +ATOM 61 O GLY A 10 -3.617 10.963 1.582 1.00 92.90 O +ATOM 62 N GLN A 11 -2.767 11.802 3.457 1.00 95.02 N +ATOM 63 CA GLN A 11 -3.476 13.064 3.298 1.00 95.44 C +ATOM 64 C GLN A 11 -2.731 13.929 2.276 1.00 95.69 C +ATOM 65 O GLN A 11 -2.227 15.004 2.587 1.00 93.11 O +ATOM 66 CB GLN A 11 -3.568 13.788 4.643 1.00 93.89 C +ATOM 67 CG GLN A 11 -4.225 12.961 5.740 1.00 89.58 C +ATOM 68 CD GLN A 11 -5.682 12.617 5.440 1.00 84.34 C +ATOM 69 OE1 GLN A 11 -6.386 13.406 4.812 1.00 79.32 O +ATOM 70 NE2 GLN A 11 -6.115 11.465 5.871 1.00 77.27 N +ATOM 71 N GLY A 12 -2.627 13.418 1.047 1.00 94.68 N +ATOM 72 CA GLY A 12 -1.851 14.059 0.008 1.00 95.15 C +ATOM 73 C GLY A 12 -0.458 13.484 -0.085 1.00 96.05 C +ATOM 74 O GLY A 12 0.343 13.908 -0.921 1.00 94.10 O +ATOM 75 N GLY A 13 -0.170 12.525 0.760 1.00 95.23 N +ATOM 76 CA GLY A 13 1.134 11.897 0.778 1.00 94.71 C +ATOM 77 C GLY A 13 1.290 10.870 -0.322 1.00 95.35 C +ATOM 78 O GLY A 13 0.382 10.649 -1.121 1.00 94.55 O +ATOM 79 N PRO A 14 2.450 10.235 -0.380 1.00 95.32 N +ATOM 80 CA PRO A 14 2.730 9.259 -1.419 1.00 95.25 C +ATOM 81 C PRO A 14 1.962 7.962 -1.220 1.00 95.34 C +ATOM 82 O PRO A 14 1.504 7.658 -0.130 1.00 94.45 O +ATOM 83 CB PRO A 14 4.236 9.038 -1.308 1.00 94.09 C +ATOM 84 CG PRO A 14 4.503 9.249 0.154 1.00 92.78 C +ATOM 85 CD PRO A 14 3.584 10.387 0.533 1.00 94.19 C +HETATM 86 N HYP A 15 1.835 7.232 -2.306 1.00 94.67 N +HETATM 87 CA HYP A 15 1.279 5.912 -2.200 1.00 94.18 C +HETATM 88 C HYP A 15 2.050 5.041 -1.286 1.00 95.87 C +HETATM 89 O HYP A 15 3.280 5.232 -1.134 1.00 94.73 O +HETATM 90 CB HYP A 15 1.382 5.416 -3.669 1.00 92.79 C +HETATM 91 CG HYP A 15 1.311 6.676 -4.488 1.00 90.32 C +HETATM 92 CD HYP A 15 2.100 7.659 -3.669 1.00 93.52 C +HETATM 93 OD1 HYP A 15 -0.017 7.078 -4.607 1.00 91.31 O +ATOM 94 N GLY A 16 1.399 4.115 -0.664 1.00 94.91 N +ATOM 95 CA GLY A 16 2.068 3.163 0.174 1.00 94.56 C +ATOM 96 C GLY A 16 2.890 2.206 -0.667 1.00 95.02 C +ATOM 97 O GLY A 16 2.830 2.226 -1.896 1.00 94.64 O +ATOM 98 N PRO A 17 3.671 1.364 -0.008 1.00 94.40 N +ATOM 99 CA PRO A 17 4.497 0.409 -0.731 1.00 94.18 C +ATOM 100 C PRO A 17 3.659 -0.691 -1.366 1.00 94.33 C +ATOM 101 O PRO A 17 2.502 -0.887 -1.005 1.00 93.29 O +ATOM 102 CB PRO A 17 5.426 -0.136 0.351 1.00 92.73 C +ATOM 103 CG PRO A 17 4.617 -0.016 1.595 1.00 90.89 C +ATOM 104 CD PRO A 17 3.845 1.261 1.436 1.00 92.77 C +HETATM 105 N HYP A 18 4.261 -1.388 -2.359 1.00 93.16 N +HETATM 106 CA HYP A 18 3.597 -2.514 -2.907 1.00 92.99 C +HETATM 107 C HYP A 18 3.224 -3.528 -1.902 1.00 94.66 C +HETATM 108 O HYP A 18 3.938 -3.696 -0.895 1.00 93.91 O +HETATM 109 CB HYP A 18 4.630 -3.064 -3.910 1.00 91.19 C +HETATM 110 CG HYP A 18 5.409 -1.856 -4.312 1.00 90.33 C +HETATM 111 CD HYP A 18 5.497 -1.091 -3.030 1.00 92.97 C +HETATM 112 OD1 HYP A 18 4.685 -1.131 -5.280 1.00 90.24 O +ATOM 113 N GLY A 19 2.128 -4.168 -2.112 1.00 93.81 N +ATOM 114 CA GLY A 19 1.690 -5.214 -1.230 1.00 94.07 C +ATOM 115 C GLY A 19 2.631 -6.398 -1.301 1.00 94.63 C +ATOM 116 O GLY A 19 3.521 -6.452 -2.149 1.00 94.39 O +ATOM 117 N PRO A 20 2.443 -7.351 -0.413 1.00 92.11 N +ATOM 118 CA PRO A 20 3.298 -8.529 -0.405 1.00 92.28 C +ATOM 119 C PRO A 20 3.017 -9.420 -1.600 1.00 91.63 C +ATOM 120 O PRO A 20 1.985 -9.295 -2.255 1.00 91.34 O +ATOM 121 CB PRO A 20 2.926 -9.212 0.909 1.00 90.77 C +ATOM 122 CG PRO A 20 1.498 -8.823 1.105 1.00 88.65 C +ATOM 123 CD PRO A 20 1.422 -7.403 0.618 1.00 90.50 C +HETATM 124 N HYP A 21 3.981 -10.302 -1.891 1.00 93.58 N +HETATM 125 CA HYP A 21 3.746 -11.266 -2.924 1.00 92.55 C +HETATM 126 C HYP A 21 2.510 -12.072 -2.711 1.00 93.29 C +HETATM 127 O HYP A 21 2.203 -12.386 -1.561 1.00 93.76 O +HETATM 128 CB HYP A 21 4.985 -12.162 -2.922 1.00 90.36 C +HETATM 129 CG HYP A 21 6.046 -11.280 -2.373 1.00 88.80 C +HETATM 130 CD HYP A 21 5.327 -10.439 -1.345 1.00 91.90 C +HETATM 131 OD1 HYP A 21 6.547 -10.450 -3.409 1.00 88.29 O +ATOM 132 N GLY A 22 1.766 -12.299 -3.755 1.00 92.94 N +ATOM 133 CA GLY A 22 0.568 -13.071 -3.669 1.00 91.96 C +ATOM 134 C GLY A 22 0.905 -14.521 -3.371 1.00 92.04 C +ATOM 135 O GLY A 22 2.068 -14.918 -3.407 1.00 91.19 O +ATOM 136 N PRO A 23 -0.103 -15.339 -3.107 1.00 94.64 N +ATOM 137 CA PRO A 23 0.136 -16.749 -2.840 1.00 94.26 C +ATOM 138 C PRO A 23 0.484 -17.465 -4.137 1.00 93.34 C +ATOM 139 O PRO A 23 -0.390 -17.710 -4.962 1.00 90.83 O +ATOM 140 CB PRO A 23 -1.188 -17.222 -2.251 1.00 92.01 C +ATOM 141 CG PRO A 23 -2.196 -16.310 -2.862 1.00 89.29 C +ATOM 142 CD PRO A 23 -1.499 -14.974 -2.994 1.00 92.56 C +HETATM 143 N HYP A 24 1.663 -17.642 -4.425 1.00 94.96 N +HETATM 144 CA HYP A 24 2.261 -17.851 -5.757 1.00 90.93 C +HETATM 145 C HYP A 24 2.174 -16.820 -6.721 1.00 94.96 C +HETATM 146 O HYP A 24 1.435 -17.031 -7.775 1.00 92.27 O +HETATM 147 CB HYP A 24 3.412 -18.729 -5.551 1.00 90.11 C +HETATM 148 CG HYP A 24 2.960 -19.554 -4.324 1.00 89.17 C +HETATM 149 CD HYP A 24 1.911 -18.710 -3.606 1.00 92.17 C +HETATM 150 OD1 HYP A 24 4.037 -19.780 -3.457 1.00 90.58 O +HETATM 151 OXT HYP A 24 3.322 -16.398 -7.359 1.00 88.29 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_413.txt b/protein_pdb_413.txt new file mode 100644 index 0000000000000000000000000000000000000000..b014182c13e9bb68472ed3fb07b851066b4bdf9a --- /dev/null +++ b/protein_pdb_413.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 11.368 6.100 7.736 1.00 94.60 N +ATOM 2 CA GLY A 1 10.571 6.792 6.751 1.00 94.53 C +ATOM 3 C GLY A 1 9.098 6.497 6.925 1.00 94.72 C +ATOM 4 O GLY A 1 8.727 5.671 7.747 1.00 93.60 O +ATOM 5 N PRO A 2 8.202 7.124 6.115 1.00 94.12 N +ATOM 6 CA PRO A 2 6.772 6.920 6.244 1.00 94.18 C +ATOM 7 C PRO A 2 6.344 5.583 5.668 1.00 94.44 C +ATOM 8 O PRO A 2 7.076 4.936 4.939 1.00 93.56 O +ATOM 9 CB PRO A 2 6.186 8.074 5.437 1.00 91.83 C +ATOM 10 CG PRO A 2 7.213 8.327 4.392 1.00 88.23 C +ATOM 11 CD PRO A 2 8.526 8.101 5.070 1.00 90.82 C +HETATM 12 N HYP A 3 5.151 5.207 6.042 1.00 93.06 N +HETATM 13 CA HYP A 3 4.572 3.993 5.450 1.00 91.65 C +HETATM 14 C HYP A 3 4.495 4.080 3.938 1.00 93.18 C +HETATM 15 O HYP A 3 4.317 5.182 3.384 1.00 96.14 O +HETATM 16 CB HYP A 3 3.114 4.022 6.056 1.00 93.12 C +HETATM 17 CG HYP A 3 3.245 4.786 7.346 1.00 91.14 C +HETATM 18 CD HYP A 3 4.292 5.880 6.978 1.00 93.24 C +HETATM 19 OD1 HYP A 3 3.779 3.942 8.318 1.00 92.28 O +ATOM 20 N GLY A 4 4.701 2.957 3.297 1.00 95.32 N +ATOM 21 CA GLY A 4 4.594 2.906 1.863 1.00 94.79 C +ATOM 22 C GLY A 4 3.158 3.102 1.410 1.00 95.01 C +ATOM 23 O GLY A 4 2.227 3.097 2.214 1.00 95.43 O +ATOM 24 N PRO A 5 2.974 3.283 0.113 1.00 95.22 N +ATOM 25 CA PRO A 5 1.631 3.478 -0.413 1.00 94.68 C +ATOM 26 C PRO A 5 0.819 2.203 -0.355 1.00 94.53 C +ATOM 27 O PRO A 5 1.359 1.111 -0.227 1.00 94.24 O +ATOM 28 CB PRO A 5 1.889 3.906 -1.859 1.00 93.22 C +ATOM 29 CG PRO A 5 3.168 3.237 -2.200 1.00 91.07 C +ATOM 30 CD PRO A 5 3.981 3.276 -0.946 1.00 93.85 C +HETATM 31 N HYP A 6 -0.500 2.379 -0.438 1.00 94.98 N +HETATM 32 CA HYP A 6 -1.357 1.216 -0.510 1.00 95.55 C +HETATM 33 C HYP A 6 -1.004 0.356 -1.696 1.00 95.98 C +HETATM 34 O HYP A 6 -0.533 0.870 -2.745 1.00 95.68 O +HETATM 35 CB HYP A 6 -2.767 1.879 -0.716 1.00 93.17 C +HETATM 36 CG HYP A 6 -2.639 3.207 -0.048 1.00 91.61 C +HETATM 37 CD HYP A 6 -1.219 3.638 -0.415 1.00 93.72 C +HETATM 38 OD1 HYP A 6 -2.751 3.053 1.341 1.00 92.93 O +ATOM 39 N GLY A 7 -1.147 -0.926 -1.506 1.00 94.71 N +ATOM 40 CA GLY A 7 -0.917 -1.852 -2.582 1.00 94.16 C +ATOM 41 C GLY A 7 -1.897 -1.632 -3.710 1.00 94.63 C +ATOM 42 O GLY A 7 -2.880 -0.907 -3.582 1.00 94.96 O +ATOM 43 N PRO A 8 -1.622 -2.262 -4.839 1.00 94.81 N +ATOM 44 CA PRO A 8 -2.499 -2.095 -5.983 1.00 94.45 C +ATOM 45 C PRO A 8 -3.832 -2.779 -5.762 1.00 94.81 C +ATOM 46 O PRO A 8 -3.953 -3.699 -4.960 1.00 94.28 O +ATOM 47 CB PRO A 8 -1.722 -2.751 -7.123 1.00 93.08 C +ATOM 48 CG PRO A 8 -0.900 -3.781 -6.436 1.00 91.76 C +ATOM 49 CD PRO A 8 -0.521 -3.167 -5.116 1.00 93.67 C +HETATM 50 N HYP A 9 -4.835 -2.334 -6.507 1.00 94.95 N +HETATM 51 CA HYP A 9 -6.101 -2.921 -6.412 1.00 94.47 C +HETATM 52 C HYP A 9 -6.073 -4.364 -6.921 1.00 95.57 C +HETATM 53 O HYP A 9 -5.363 -4.650 -7.908 1.00 95.32 O +HETATM 54 CB HYP A 9 -6.975 -2.063 -7.421 1.00 92.97 C +HETATM 55 CG HYP A 9 -6.239 -0.754 -7.530 1.00 91.16 C +HETATM 56 CD HYP A 9 -4.807 -1.131 -7.408 1.00 94.71 C +HETATM 57 OD1 HYP A 9 -6.591 0.058 -6.430 1.00 91.71 O +ATOM 58 N GLY A 10 -6.712 -5.262 -6.279 1.00 95.41 N +ATOM 59 CA GLY A 10 -6.913 -6.575 -6.837 1.00 94.37 C +ATOM 60 C GLY A 10 -7.868 -6.492 -8.003 1.00 94.67 C +ATOM 61 O GLY A 10 -8.381 -5.426 -8.343 1.00 93.60 O +ATOM 62 N ARG A 11 -8.101 -7.627 -8.611 1.00 94.34 N +ATOM 63 CA ARG A 11 -9.056 -7.623 -9.719 1.00 94.64 C +ATOM 64 C ARG A 11 -10.411 -7.105 -9.265 1.00 94.83 C +ATOM 65 O ARG A 11 -11.061 -6.358 -9.994 1.00 93.16 O +ATOM 66 CB ARG A 11 -9.193 -9.029 -10.299 1.00 92.54 C +ATOM 67 CG ARG A 11 -7.992 -9.439 -11.114 1.00 87.36 C +ATOM 68 CD ARG A 11 -8.099 -10.890 -11.561 1.00 83.84 C +ATOM 69 NE ARG A 11 -9.277 -11.146 -12.372 1.00 80.25 N +ATOM 70 CZ ARG A 11 -9.362 -10.935 -13.687 1.00 77.22 C +ATOM 71 NH1 ARG A 11 -8.329 -10.449 -14.351 1.00 74.04 N +ATOM 72 NH2 ARG A 11 -10.481 -11.207 -14.322 1.00 73.17 N +ATOM 73 N LEU A 12 -10.803 -7.498 -8.058 1.00 95.44 N +ATOM 74 CA LEU A 12 -12.058 -7.040 -7.471 1.00 96.19 C +ATOM 75 C LEU A 12 -11.888 -6.571 -6.035 1.00 96.44 C +ATOM 76 O LEU A 12 -12.754 -5.869 -5.515 1.00 93.96 O +ATOM 77 CB LEU A 12 -13.100 -8.164 -7.508 1.00 95.32 C +ATOM 78 CG LEU A 12 -13.528 -8.637 -8.893 1.00 91.98 C +ATOM 79 CD1 LEU A 12 -14.435 -9.845 -8.768 1.00 89.24 C +ATOM 80 CD2 LEU A 12 -14.239 -7.531 -9.656 1.00 86.61 C +ATOM 81 N GLY A 13 -10.817 -6.966 -5.399 1.00 96.78 N +ATOM 82 CA GLY A 13 -10.614 -6.654 -4.005 1.00 96.39 C +ATOM 83 C GLY A 13 -10.113 -5.249 -3.765 1.00 96.83 C +ATOM 84 O GLY A 13 -9.777 -4.516 -4.696 1.00 96.46 O +ATOM 85 N PRO A 14 -10.049 -4.860 -2.503 1.00 96.54 N +ATOM 86 CA PRO A 14 -9.587 -3.537 -2.137 1.00 96.48 C +ATOM 87 C PRO A 14 -8.082 -3.404 -2.290 1.00 96.60 C +ATOM 88 O PRO A 14 -7.372 -4.390 -2.443 1.00 96.28 O +ATOM 89 CB PRO A 14 -9.996 -3.415 -0.673 1.00 95.40 C +ATOM 90 CG PRO A 14 -9.927 -4.822 -0.178 1.00 94.18 C +ATOM 91 CD PRO A 14 -10.396 -5.662 -1.330 1.00 95.36 C +HETATM 92 N HYP A 15 -7.658 -2.145 -2.213 1.00 95.68 N +HETATM 93 CA HYP A 15 -6.222 -1.914 -2.221 1.00 95.37 C +HETATM 94 C HYP A 15 -5.547 -2.616 -1.093 1.00 96.18 C +HETATM 95 O HYP A 15 -6.190 -2.835 -0.019 1.00 95.84 O +HETATM 96 CB HYP A 15 -6.207 -0.368 -2.051 1.00 93.85 C +HETATM 97 CG HYP A 15 -7.534 0.115 -2.611 1.00 92.30 C +HETATM 98 CD HYP A 15 -8.494 -0.953 -2.168 1.00 94.52 C +HETATM 99 OD1 HYP A 15 -7.494 0.183 -4.013 1.00 93.46 O +ATOM 100 N GLY A 16 -4.316 -3.003 -1.294 1.00 96.71 N +ATOM 101 CA GLY A 16 -3.549 -3.599 -0.238 1.00 96.47 C +ATOM 102 C GLY A 16 -3.251 -2.599 0.856 1.00 96.50 C +ATOM 103 O GLY A 16 -3.485 -1.397 0.702 1.00 96.40 O +ATOM 104 N PRO A 17 -2.730 -3.092 1.971 1.00 95.81 N +ATOM 105 CA PRO A 17 -2.405 -2.210 3.081 1.00 95.28 C +ATOM 106 C PRO A 17 -1.194 -1.348 2.763 1.00 95.61 C +ATOM 107 O PRO A 17 -0.424 -1.645 1.858 1.00 95.08 O +ATOM 108 CB PRO A 17 -2.116 -3.174 4.226 1.00 93.92 C +ATOM 109 CG PRO A 17 -1.616 -4.390 3.532 1.00 92.34 C +ATOM 110 CD PRO A 17 -2.405 -4.480 2.262 1.00 94.31 C +HETATM 111 N HYP A 18 -1.042 -0.252 3.545 1.00 93.37 N +HETATM 112 CA HYP A 18 0.134 0.513 3.411 1.00 93.95 C +HETATM 113 C HYP A 18 1.383 -0.301 3.621 1.00 94.98 C +HETATM 114 O HYP A 18 1.370 -1.242 4.435 1.00 94.49 O +HETATM 115 CB HYP A 18 -0.024 1.580 4.530 1.00 92.24 C +HETATM 116 CG HYP A 18 -1.517 1.716 4.702 1.00 90.99 C +HETATM 117 CD HYP A 18 -1.991 0.284 4.504 1.00 93.57 C +HETATM 118 OD1 HYP A 18 -2.043 2.548 3.681 1.00 91.71 O +ATOM 119 N GLY A 19 2.392 0.002 2.883 1.00 93.12 N +ATOM 120 CA GLY A 19 3.647 -0.667 3.039 1.00 92.85 C +ATOM 121 C GLY A 19 4.264 -0.372 4.393 1.00 93.12 C +ATOM 122 O GLY A 19 3.807 0.504 5.122 1.00 93.97 O +ATOM 123 N PRO A 20 5.309 -1.109 4.733 1.00 91.80 N +ATOM 124 CA PRO A 20 5.972 -0.895 6.004 1.00 90.79 C +ATOM 125 C PRO A 20 6.725 0.426 6.013 1.00 90.92 C +ATOM 126 O PRO A 20 6.997 1.004 4.970 1.00 91.44 O +ATOM 127 CB PRO A 20 6.925 -2.076 6.105 1.00 88.27 C +ATOM 128 CG PRO A 20 7.233 -2.402 4.693 1.00 85.35 C +ATOM 129 CD PRO A 20 5.959 -2.154 3.944 1.00 88.07 C +HETATM 130 N HYP A 21 7.021 0.881 7.211 1.00 92.75 N +HETATM 131 CA HYP A 21 7.829 2.061 7.311 1.00 90.88 C +HETATM 132 C HYP A 21 9.170 1.961 6.615 1.00 92.79 C +HETATM 133 O HYP A 21 9.743 0.875 6.609 1.00 94.74 O +HETATM 134 CB HYP A 21 8.017 2.282 8.817 1.00 91.15 C +HETATM 135 CG HYP A 21 6.850 1.576 9.453 1.00 88.36 C +HETATM 136 CD HYP A 21 6.640 0.386 8.541 1.00 93.14 C +HETATM 137 OD1 HYP A 21 5.680 2.409 9.369 1.00 90.58 O +ATOM 138 N GLY A 22 9.571 2.990 5.961 1.00 92.52 N +ATOM 139 CA GLY A 22 10.859 3.022 5.346 1.00 90.55 C +ATOM 140 C GLY A 22 11.953 3.066 6.406 1.00 90.70 C +ATOM 141 O GLY A 22 11.678 3.137 7.602 1.00 91.02 O +ATOM 142 N PRO A 23 13.207 3.025 5.982 1.00 94.04 N +ATOM 143 CA PRO A 23 14.292 3.122 6.948 1.00 93.35 C +ATOM 144 C PRO A 23 14.258 4.472 7.631 1.00 92.24 C +ATOM 145 O PRO A 23 14.033 5.492 6.990 1.00 89.75 O +ATOM 146 CB PRO A 23 15.545 2.932 6.096 1.00 90.50 C +ATOM 147 CG PRO A 23 15.126 3.306 4.727 1.00 86.79 C +ATOM 148 CD PRO A 23 13.679 2.941 4.612 1.00 90.78 C +HETATM 149 N HYP A 24 14.401 4.520 8.885 1.00 94.65 N +HETATM 150 CA HYP A 24 14.183 5.780 9.566 1.00 89.74 C +HETATM 151 C HYP A 24 12.970 6.525 9.157 1.00 93.28 C +HETATM 152 O HYP A 24 13.148 7.697 8.761 1.00 92.12 O +HETATM 153 CB HYP A 24 14.535 5.596 10.941 1.00 90.91 C +HETATM 154 CG HYP A 24 15.130 4.183 11.037 1.00 90.01 C +HETATM 155 CD HYP A 24 15.159 3.626 9.617 1.00 92.76 C +HETATM 156 OD1 HYP A 24 16.410 4.206 11.516 1.00 90.05 O +HETATM 157 OXT HYP A 24 11.791 6.157 9.531 1.00 90.85 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_414.txt b/protein_pdb_414.txt new file mode 100644 index 0000000000000000000000000000000000000000..df66e3ca49aad472bd3ad16719667f6459dda541 --- /dev/null +++ b/protein_pdb_414.txt @@ -0,0 +1,207 @@ +ATOM 1 N GLY A 1 7.782 -15.256 6.282 1.00 84.32 N +ATOM 2 CA GLY A 1 6.378 -15.014 6.582 1.00 85.44 C +ATOM 3 C GLY A 1 5.607 -14.614 5.346 1.00 85.95 C +ATOM 4 O GLY A 1 6.138 -14.617 4.242 1.00 83.12 O +ATOM 5 N ALA A 2 4.359 -14.257 5.541 1.00 91.14 N +ATOM 6 CA ALA A 2 3.500 -13.867 4.440 1.00 91.95 C +ATOM 7 C ALA A 2 3.893 -12.506 3.895 1.00 91.59 C +ATOM 8 O ALA A 2 4.408 -11.666 4.619 1.00 90.55 O +ATOM 9 CB ALA A 2 2.057 -13.835 4.901 1.00 87.56 C +HETATM 10 N HYP A 3 3.682 -12.340 2.631 1.00 89.85 N +HETATM 11 CA HYP A 3 3.872 -11.048 2.027 1.00 89.78 C +HETATM 12 C HYP A 3 2.959 -9.993 2.637 1.00 90.18 C +HETATM 13 O HYP A 3 1.846 -10.315 3.100 1.00 89.51 O +HETATM 14 CB HYP A 3 3.558 -11.259 0.528 1.00 89.79 C +HETATM 15 CG HYP A 3 3.853 -12.723 0.326 1.00 87.29 C +HETATM 16 CD HYP A 3 3.372 -13.346 1.637 1.00 88.82 C +HETATM 17 OD1 HYP A 3 5.230 -12.949 0.188 1.00 88.55 O +ATOM 18 N GLY A 4 3.457 -8.786 2.657 1.00 91.37 N +ATOM 19 CA GLY A 4 2.702 -7.703 3.217 1.00 89.38 C +ATOM 20 C GLY A 4 1.505 -7.341 2.355 1.00 89.74 C +ATOM 21 O GLY A 4 1.341 -7.853 1.242 1.00 90.35 O +ATOM 22 N GLU A 5 0.684 -6.450 2.878 1.00 92.21 N +ATOM 23 CA GLU A 5 -0.487 -5.992 2.153 1.00 92.50 C +ATOM 24 C GLU A 5 -0.068 -5.171 0.939 1.00 92.11 C +ATOM 25 O GLU A 5 1.004 -4.574 0.908 1.00 92.63 O +ATOM 26 CB GLU A 5 -1.361 -5.124 3.059 1.00 89.46 C +ATOM 27 CG GLU A 5 -2.003 -5.873 4.215 1.00 82.48 C +ATOM 28 CD GLU A 5 -3.176 -6.737 3.772 1.00 79.17 C +ATOM 29 OE1 GLU A 5 -3.804 -6.393 2.763 1.00 77.01 O +ATOM 30 OE2 GLU A 5 -3.458 -7.737 4.450 1.00 77.21 O +ATOM 31 N ARG A 6 -0.927 -5.131 -0.052 1.00 95.09 N +ATOM 32 CA ARG A 6 -0.692 -4.298 -1.221 1.00 95.29 C +ATOM 33 C ARG A 6 -0.669 -2.849 -0.778 1.00 95.49 C +ATOM 34 O ARG A 6 -1.455 -2.447 0.078 1.00 95.34 O +ATOM 35 CB ARG A 6 -1.800 -4.520 -2.253 1.00 92.45 C +ATOM 36 CG ARG A 6 -1.585 -3.731 -3.535 1.00 86.21 C +ATOM 37 CD ARG A 6 -2.773 -3.876 -4.468 1.00 84.04 C +ATOM 38 NE ARG A 6 -3.029 -5.265 -4.812 1.00 81.57 N +ATOM 39 CZ ARG A 6 -4.083 -5.685 -5.486 1.00 79.96 C +ATOM 40 NH1 ARG A 6 -4.992 -4.831 -5.902 1.00 76.55 N +ATOM 41 NH2 ARG A 6 -4.231 -6.969 -5.747 1.00 74.71 N +ATOM 42 N GLY A 7 0.207 -2.073 -1.353 1.00 92.82 N +ATOM 43 CA GLY A 7 0.279 -0.664 -1.026 1.00 91.64 C +ATOM 44 C GLY A 7 -0.948 0.082 -1.498 1.00 92.13 C +ATOM 45 O GLY A 7 -1.744 -0.439 -2.281 1.00 93.42 O +ATOM 46 N PRO A 8 -1.108 1.314 -1.017 1.00 94.30 N +ATOM 47 CA PRO A 8 -2.260 2.118 -1.405 1.00 94.36 C +ATOM 48 C PRO A 8 -2.166 2.556 -2.858 1.00 94.51 C +ATOM 49 O PRO A 8 -1.093 2.546 -3.453 1.00 94.34 O +ATOM 50 CB PRO A 8 -2.196 3.311 -0.457 1.00 91.72 C +ATOM 51 CG PRO A 8 -0.746 3.453 -0.173 1.00 89.22 C +ATOM 52 CD PRO A 8 -0.248 2.031 -0.079 1.00 91.97 C +HETATM 53 N HYP A 9 -3.277 2.952 -3.422 1.00 92.17 N +HETATM 54 CA HYP A 9 -3.318 3.467 -4.764 1.00 92.35 C +HETATM 55 C HYP A 9 -2.443 4.686 -4.902 1.00 91.78 C +HETATM 56 O HYP A 9 -2.226 5.419 -3.947 1.00 91.68 O +HETATM 57 CB HYP A 9 -4.836 3.783 -4.931 1.00 90.52 C +HETATM 58 CG HYP A 9 -5.537 2.847 -3.970 1.00 88.91 C +HETATM 59 CD HYP A 9 -4.615 2.798 -2.818 1.00 91.23 C +HETATM 60 OD1 HYP A 9 -5.685 1.548 -4.516 1.00 87.53 O +ATOM 61 N GLY A 10 -1.899 4.868 -6.062 1.00 93.34 N +ATOM 62 CA GLY A 10 -1.068 6.010 -6.316 1.00 91.60 C +ATOM 63 C GLY A 10 -1.880 7.292 -6.291 1.00 91.17 C +ATOM 64 O GLY A 10 -3.108 7.278 -6.200 1.00 91.10 O +ATOM 65 N LEU A 11 -1.167 8.400 -6.381 1.00 93.77 N +ATOM 66 CA LEU A 11 -1.825 9.693 -6.410 1.00 93.26 C +ATOM 67 C LEU A 11 -2.491 9.916 -7.759 1.00 92.91 C +ATOM 68 O LEU A 11 -2.162 9.269 -8.749 1.00 92.43 O +ATOM 69 CB LEU A 11 -0.817 10.809 -6.143 1.00 90.52 C +ATOM 70 CG LEU A 11 -0.143 10.773 -4.775 1.00 82.98 C +ATOM 71 CD1 LEU A 11 0.899 11.879 -4.701 1.00 83.23 C +ATOM 72 CD2 LEU A 11 -1.167 10.930 -3.669 1.00 80.09 C +ATOM 73 N ALA A 12 -3.415 10.868 -7.790 1.00 92.73 N +ATOM 74 CA ALA A 12 -4.062 11.210 -9.043 1.00 92.97 C +ATOM 75 C ALA A 12 -3.031 11.788 -10.001 1.00 92.97 C +ATOM 76 O ALA A 12 -2.222 12.626 -9.615 1.00 91.16 O +ATOM 77 CB ALA A 12 -5.186 12.216 -8.800 1.00 89.52 C +ATOM 78 N GLY A 13 -3.054 11.315 -11.219 1.00 93.95 N +ATOM 79 CA GLY A 13 -2.131 11.803 -12.218 1.00 93.43 C +ATOM 80 C GLY A 13 -2.764 12.879 -13.059 1.00 94.36 C +ATOM 81 O GLY A 13 -3.710 13.540 -12.645 1.00 94.52 O +ATOM 82 N ALA A 14 -2.242 13.059 -14.271 1.00 93.72 N +ATOM 83 CA ALA A 14 -2.745 14.061 -15.189 1.00 94.78 C +ATOM 84 C ALA A 14 -4.221 13.847 -15.455 1.00 95.18 C +ATOM 85 O ALA A 14 -4.662 12.720 -15.702 1.00 93.84 O +ATOM 86 CB ALA A 14 -1.969 14.004 -16.493 1.00 91.75 C +HETATM 87 N HYP A 15 -4.975 14.979 -15.577 1.00 94.08 N +HETATM 88 CA HYP A 15 -6.383 14.948 -15.452 1.00 93.47 C +HETATM 89 C HYP A 15 -7.021 14.094 -14.468 1.00 94.59 C +HETATM 90 O HYP A 15 -8.082 13.471 -14.673 1.00 93.44 O +HETATM 91 CB HYP A 15 -7.094 15.157 -16.749 1.00 93.08 C +HETATM 92 CG HYP A 15 -5.969 15.440 -17.754 1.00 91.70 C +HETATM 93 CD HYP A 15 -4.693 15.203 -17.009 1.00 92.26 C +HETATM 94 OD1 HYP A 15 -5.988 16.763 -18.261 1.00 92.14 O +ATOM 95 N GLY A 16 -6.356 13.926 -13.313 1.00 95.63 N +ATOM 96 CA GLY A 16 -6.938 13.301 -12.154 1.00 95.61 C +ATOM 97 C GLY A 16 -7.088 11.799 -12.200 1.00 95.68 C +ATOM 98 O GLY A 16 -7.684 11.215 -11.300 1.00 95.04 O +ATOM 99 N LEU A 17 -6.526 11.130 -13.204 1.00 94.33 N +ATOM 100 CA LEU A 17 -6.618 9.683 -13.290 1.00 94.08 C +ATOM 101 C LEU A 17 -5.850 9.066 -12.128 1.00 93.66 C +ATOM 102 O LEU A 17 -4.689 9.400 -11.893 1.00 92.88 O +ATOM 103 CB LEU A 17 -6.065 9.178 -14.613 1.00 91.63 C +ATOM 104 CG LEU A 17 -6.945 9.483 -15.833 1.00 85.87 C +ATOM 105 CD1 LEU A 17 -6.190 9.151 -17.105 1.00 84.61 C +ATOM 106 CD2 LEU A 17 -8.237 8.708 -15.762 1.00 81.70 C +ATOM 107 N ARG A 18 -6.490 8.190 -11.379 1.00 95.39 N +ATOM 108 CA ARG A 18 -5.908 7.567 -10.208 1.00 95.45 C +ATOM 109 C ARG A 18 -4.773 6.630 -10.600 1.00 95.67 C +ATOM 110 O ARG A 18 -4.903 5.842 -11.530 1.00 95.30 O +ATOM 111 CB ARG A 18 -6.993 6.797 -9.456 1.00 92.56 C +ATOM 112 CG ARG A 18 -6.580 6.347 -8.073 1.00 89.33 C +ATOM 113 CD ARG A 18 -6.616 7.493 -7.116 1.00 86.98 C +ATOM 114 NE ARG A 18 -6.276 7.095 -5.759 1.00 83.08 N +ATOM 115 CZ ARG A 18 -5.946 7.936 -4.798 1.00 81.55 C +ATOM 116 NH1 ARG A 18 -5.901 9.234 -5.029 1.00 77.19 N +ATOM 117 NH2 ARG A 18 -5.654 7.474 -3.594 1.00 78.68 N +ATOM 118 N GLY A 19 -3.685 6.714 -9.874 1.00 94.21 N +ATOM 119 CA GLY A 19 -2.563 5.833 -10.115 1.00 93.42 C +ATOM 120 C GLY A 19 -2.881 4.414 -9.691 1.00 94.24 C +ATOM 121 O GLY A 19 -3.855 4.174 -8.984 1.00 95.04 O +ATOM 122 N PRO A 20 -2.062 3.457 -10.121 1.00 94.63 N +ATOM 123 CA PRO A 20 -2.285 2.054 -9.787 1.00 94.69 C +ATOM 124 C PRO A 20 -1.953 1.768 -8.335 1.00 95.24 C +ATOM 125 O PRO A 20 -1.252 2.530 -7.680 1.00 95.53 O +ATOM 126 CB PRO A 20 -1.343 1.317 -10.731 1.00 92.81 C +ATOM 127 CG PRO A 20 -0.220 2.271 -10.892 1.00 91.55 C +ATOM 128 CD PRO A 20 -0.888 3.623 -10.972 1.00 94.19 C +HETATM 129 N HYP A 21 -2.450 0.665 -7.873 1.00 94.98 N +HETATM 130 CA HYP A 21 -2.136 0.239 -6.545 1.00 94.65 C +HETATM 131 C HYP A 21 -0.663 0.009 -6.366 1.00 94.99 C +HETATM 132 O HYP A 21 0.044 -0.357 -7.346 1.00 93.46 O +HETATM 133 CB HYP A 21 -2.941 -1.074 -6.430 1.00 92.98 C +HETATM 134 CG HYP A 21 -4.060 -0.935 -7.453 1.00 92.76 C +HETATM 135 CD HYP A 21 -3.403 -0.178 -8.571 1.00 94.47 C +HETATM 136 OD1 HYP A 21 -5.126 -0.173 -6.946 1.00 90.94 O +ATOM 137 N GLY A 22 -0.178 0.260 -5.179 1.00 95.34 N +ATOM 138 CA GLY A 22 1.213 0.053 -4.895 1.00 95.17 C +ATOM 139 C GLY A 22 1.538 -1.433 -4.908 1.00 95.90 C +ATOM 140 O GLY A 22 0.644 -2.282 -4.956 1.00 96.47 O +ATOM 141 N PRO A 23 2.830 -1.759 -4.866 1.00 95.03 N +ATOM 142 CA PRO A 23 3.255 -3.151 -4.882 1.00 94.99 C +ATOM 143 C PRO A 23 2.977 -3.835 -3.548 1.00 95.34 C +ATOM 144 O PRO A 23 2.803 -3.175 -2.527 1.00 95.34 O +ATOM 145 CB PRO A 23 4.745 -3.052 -5.156 1.00 92.85 C +ATOM 146 CG PRO A 23 5.120 -1.762 -4.518 1.00 91.08 C +ATOM 147 CD PRO A 23 3.964 -0.853 -4.827 1.00 93.94 C +HETATM 148 N HYP A 24 2.931 -5.145 -3.559 1.00 94.38 N +HETATM 149 CA HYP A 24 2.814 -5.885 -2.345 1.00 92.46 C +HETATM 150 C HYP A 24 3.941 -5.603 -1.412 1.00 94.36 C +HETATM 151 O HYP A 24 5.062 -5.322 -1.892 1.00 94.06 O +HETATM 152 CB HYP A 24 2.742 -7.330 -2.831 1.00 91.90 C +HETATM 153 CG HYP A 24 2.183 -7.214 -4.225 1.00 91.38 C +HETATM 154 CD HYP A 24 2.851 -5.978 -4.753 1.00 94.15 C +HETATM 155 OD1 HYP A 24 0.786 -7.045 -4.221 1.00 90.92 O +ATOM 156 N GLY A 25 3.680 -5.614 -0.138 1.00 95.30 N +ATOM 157 CA GLY A 25 4.704 -5.372 0.841 1.00 94.48 C +ATOM 158 C GLY A 25 5.717 -6.503 0.851 1.00 94.91 C +ATOM 159 O GLY A 25 5.536 -7.528 0.190 1.00 95.36 O +ATOM 160 N PRO A 26 6.797 -6.327 1.610 1.00 95.70 N +ATOM 161 CA PRO A 26 7.838 -7.342 1.688 1.00 95.45 C +ATOM 162 C PRO A 26 7.379 -8.556 2.478 1.00 95.52 C +ATOM 163 O PRO A 26 6.410 -8.496 3.224 1.00 95.67 O +ATOM 164 CB PRO A 26 8.974 -6.607 2.388 1.00 93.29 C +ATOM 165 CG PRO A 26 8.264 -5.628 3.254 1.00 91.36 C +ATOM 166 CD PRO A 26 7.118 -5.159 2.406 1.00 94.38 C +HETATM 167 N HYP A 27 8.065 -9.656 2.322 1.00 94.76 N +HETATM 168 CA HYP A 27 7.805 -10.818 3.087 1.00 94.05 C +HETATM 169 C HYP A 27 7.936 -10.568 4.565 1.00 94.29 C +HETATM 170 O HYP A 27 8.703 -9.681 4.974 1.00 94.58 O +HETATM 171 CB HYP A 27 8.861 -11.794 2.550 1.00 92.93 C +HETATM 172 CG HYP A 27 9.089 -11.358 1.122 1.00 91.04 C +HETATM 173 CD HYP A 27 9.039 -9.870 1.243 1.00 93.53 C +HETATM 174 OD1 HYP A 27 8.073 -11.793 0.243 1.00 88.60 O +ATOM 175 N GLY A 28 7.174 -11.298 5.340 1.00 95.00 N +ATOM 176 CA GLY A 28 7.220 -11.151 6.767 1.00 94.36 C +ATOM 177 C GLY A 28 8.573 -11.567 7.307 1.00 94.60 C +ATOM 178 O GLY A 28 9.429 -12.059 6.570 1.00 95.03 O +ATOM 179 N PRO A 29 8.785 -11.398 8.609 1.00 94.22 N +ATOM 180 CA PRO A 29 10.054 -11.733 9.234 1.00 93.88 C +ATOM 181 C PRO A 29 10.323 -13.229 9.237 1.00 93.72 C +ATOM 182 O PRO A 29 9.401 -14.039 9.245 1.00 93.26 O +ATOM 183 CB PRO A 29 9.909 -11.168 10.644 1.00 90.58 C +ATOM 184 CG PRO A 29 8.446 -11.228 10.889 1.00 89.38 C +ATOM 185 CD PRO A 29 7.845 -10.848 9.560 1.00 92.32 C +HETATM 186 N HYP A 30 11.600 -13.605 9.274 1.00 91.35 N +HETATM 187 CA HYP A 30 11.996 -14.960 9.324 1.00 87.65 C +HETATM 188 C HYP A 30 11.692 -15.536 10.671 1.00 88.37 C +HETATM 189 O HYP A 30 11.252 -14.854 11.592 1.00 91.75 O +HETATM 190 CB HYP A 30 13.539 -14.943 9.223 1.00 88.18 C +HETATM 191 CG HYP A 30 13.879 -13.676 8.586 1.00 86.06 C +HETATM 192 CD HYP A 30 12.776 -12.747 9.023 1.00 90.03 C +HETATM 193 OD1 HYP A 30 13.876 -13.808 7.188 1.00 88.05 O +ATOM 194 N GLY A 31 12.078 -16.719 10.880 1.00 89.58 N +ATOM 195 CA GLY A 31 11.933 -17.327 12.169 1.00 87.77 C +ATOM 196 C GLY A 31 10.580 -17.984 12.279 1.00 86.73 C +ATOM 197 O GLY A 31 10.017 -18.435 11.285 1.00 84.24 O +ATOM 198 N VAL A 32 10.097 -18.040 13.485 1.00 87.54 N +ATOM 199 CA VAL A 32 8.802 -18.657 13.734 1.00 85.11 C +ATOM 200 C VAL A 32 7.747 -18.099 12.788 1.00 82.47 C +ATOM 201 O VAL A 32 7.292 -18.822 11.907 1.00 79.43 O +ATOM 202 CB VAL A 32 8.350 -18.465 15.198 1.00 76.68 C +ATOM 203 CG1 VAL A 32 7.994 -19.802 15.799 1.00 69.78 C +ATOM 204 CG2 VAL A 32 9.397 -17.770 16.032 1.00 72.27 C +ATOM 205 OXT VAL A 32 7.430 -16.933 12.888 1.00 69.33 O +TER 206 VAL A 32 +END diff --git a/protein_pdb_415.txt b/protein_pdb_415.txt new file mode 100644 index 0000000000000000000000000000000000000000..7b6072bf0a347137b6cd129417773d006983e05f --- /dev/null +++ b/protein_pdb_415.txt @@ -0,0 +1,163 @@ +ATOM 1 N GLY A 1 14.669 3.273 2.985 1.00 94.43 N +ATOM 2 CA GLY A 1 13.812 3.608 1.901 1.00 95.03 C +ATOM 3 C GLY A 1 12.491 4.202 2.341 1.00 95.84 C +ATOM 4 O GLY A 1 12.118 4.115 3.505 1.00 94.82 O +ATOM 5 N PRO A 2 11.803 4.780 1.444 1.00 94.73 N +ATOM 6 CA PRO A 2 10.508 5.366 1.744 1.00 95.16 C +ATOM 7 C PRO A 2 9.450 4.303 1.934 1.00 95.51 C +ATOM 8 O PRO A 2 9.653 3.138 1.602 1.00 94.76 O +ATOM 9 CB PRO A 2 10.233 6.223 0.506 1.00 93.27 C +ATOM 10 CG PRO A 2 10.933 5.491 -0.581 1.00 90.63 C +ATOM 11 CD PRO A 2 12.176 4.940 0.049 1.00 93.12 C +HETATM 12 N HYP A 3 8.299 4.753 2.481 1.00 95.36 N +HETATM 13 CA HYP A 3 7.226 3.803 2.650 1.00 93.85 C +HETATM 14 C HYP A 3 6.754 3.238 1.324 1.00 95.89 C +HETATM 15 O HYP A 3 6.813 3.937 0.283 1.00 95.74 O +HETATM 16 CB HYP A 3 6.068 4.735 3.224 1.00 92.84 C +HETATM 17 CG HYP A 3 6.806 5.869 3.910 1.00 90.54 C +HETATM 18 CD HYP A 3 8.036 6.086 2.970 1.00 93.55 C +HETATM 19 OD1 HYP A 3 7.254 5.439 5.158 1.00 92.38 O +ATOM 20 N GLY A 4 6.428 1.968 1.341 1.00 95.93 N +ATOM 21 CA GLY A 4 5.928 1.343 0.146 1.00 95.27 C +ATOM 22 C GLY A 4 4.592 1.922 -0.261 1.00 95.51 C +ATOM 23 O GLY A 4 3.933 2.621 0.510 1.00 95.51 O +ATOM 24 N PRO A 5 4.163 1.635 -1.493 1.00 95.80 N +ATOM 25 CA PRO A 5 2.884 2.138 -1.972 1.00 95.69 C +ATOM 26 C PRO A 5 1.724 1.462 -1.262 1.00 95.50 C +ATOM 27 O PRO A 5 1.876 0.402 -0.667 1.00 95.03 O +ATOM 28 CB PRO A 5 2.906 1.795 -3.460 1.00 94.59 C +ATOM 29 CG PRO A 5 3.768 0.586 -3.524 1.00 93.29 C +ATOM 30 CD PRO A 5 4.820 0.797 -2.482 1.00 95.34 C +HETATM 31 N HYP A 6 0.558 2.123 -1.339 1.00 95.25 N +HETATM 32 CA HYP A 6 -0.623 1.506 -0.776 1.00 95.78 C +HETATM 33 C HYP A 6 -0.901 0.175 -1.411 1.00 95.97 C +HETATM 34 O HYP A 6 -0.584 -0.015 -2.616 1.00 95.50 O +HETATM 35 CB HYP A 6 -1.728 2.548 -1.153 1.00 93.49 C +HETATM 36 CG HYP A 6 -0.996 3.850 -1.268 1.00 92.86 C +HETATM 37 CD HYP A 6 0.337 3.441 -1.915 1.00 94.12 C +HETATM 38 OD1 HYP A 6 -0.760 4.369 0.022 1.00 91.41 O +ATOM 39 N GLY A 7 -1.372 -0.756 -0.651 1.00 95.42 N +ATOM 40 CA GLY A 7 -1.726 -2.042 -1.180 1.00 95.16 C +ATOM 41 C GLY A 7 -2.815 -1.925 -2.225 1.00 95.51 C +ATOM 42 O GLY A 7 -3.483 -0.903 -2.337 1.00 95.49 O +ATOM 43 N PRO A 8 -2.997 -2.982 -3.004 1.00 95.84 N +ATOM 44 CA PRO A 8 -4.018 -2.947 -4.041 1.00 95.85 C +ATOM 45 C PRO A 8 -5.408 -2.937 -3.444 1.00 96.22 C +ATOM 46 O PRO A 8 -5.630 -3.399 -2.331 1.00 95.69 O +ATOM 47 CB PRO A 8 -3.753 -4.215 -4.836 1.00 94.32 C +ATOM 48 CG PRO A 8 -3.130 -5.133 -3.849 1.00 92.89 C +ATOM 49 CD PRO A 8 -2.300 -4.252 -2.959 1.00 94.65 C +HETATM 50 N HYP A 9 -6.348 -2.408 -4.210 1.00 95.47 N +HETATM 51 CA HYP A 9 -7.703 -2.389 -3.778 1.00 95.28 C +HETATM 52 C HYP A 9 -8.248 -3.786 -3.665 1.00 95.97 C +HETATM 53 O HYP A 9 -7.936 -4.636 -4.540 1.00 95.17 O +HETATM 54 CB HYP A 9 -8.432 -1.645 -4.950 1.00 93.33 C +HETATM 55 CG HYP A 9 -7.361 -0.877 -5.674 1.00 92.91 C +HETATM 56 CD HYP A 9 -6.143 -1.712 -5.512 1.00 94.69 C +HETATM 57 OD1 HYP A 9 -7.145 0.356 -5.017 1.00 91.97 O +ATOM 58 N GLY A 10 -8.978 -4.147 -2.674 1.00 94.69 N +ATOM 59 CA GLY A 10 -9.741 -5.371 -2.678 1.00 93.87 C +ATOM 60 C GLY A 10 -10.845 -5.262 -3.702 1.00 94.33 C +ATOM 61 O GLY A 10 -11.118 -4.188 -4.239 1.00 93.74 O +ATOM 62 N TRP A 11 -11.480 -6.390 -3.975 1.00 94.97 N +ATOM 63 CA TRP A 11 -12.538 -6.338 -4.977 1.00 94.66 C +ATOM 64 C TRP A 11 -13.688 -5.440 -4.537 1.00 94.44 C +ATOM 65 O TRP A 11 -14.378 -4.866 -5.369 1.00 92.95 O +ATOM 66 CB TRP A 11 -13.043 -7.743 -5.282 1.00 94.03 C +ATOM 67 CG TRP A 11 -12.054 -8.564 -6.046 1.00 90.38 C +ATOM 68 CD1 TRP A 11 -10.811 -8.185 -6.463 1.00 88.71 C +ATOM 69 CD2 TRP A 11 -12.217 -9.917 -6.506 1.00 88.74 C +ATOM 70 NE1 TRP A 11 -10.200 -9.198 -7.144 1.00 83.46 N +ATOM 71 CE2 TRP A 11 -11.036 -10.270 -7.185 1.00 86.29 C +ATOM 72 CE3 TRP A 11 -13.252 -10.842 -6.409 1.00 84.62 C +ATOM 73 CZ2 TRP A 11 -10.863 -11.535 -7.764 1.00 88.82 C +ATOM 74 CZ3 TRP A 11 -13.078 -12.097 -6.974 1.00 83.00 C +ATOM 75 CH2 TRP A 11 -11.903 -12.429 -7.645 1.00 82.24 C +ATOM 76 N GLN A 12 -13.839 -5.299 -3.227 1.00 94.89 N +ATOM 77 CA GLN A 12 -14.790 -4.352 -2.657 1.00 95.09 C +ATOM 78 C GLN A 12 -14.174 -3.520 -1.544 1.00 95.08 C +ATOM 79 O GLN A 12 -14.806 -2.588 -1.052 1.00 91.71 O +ATOM 80 CB GLN A 12 -16.016 -5.092 -2.113 1.00 93.36 C +ATOM 81 CG GLN A 12 -16.782 -5.877 -3.169 1.00 89.59 C +ATOM 82 CD GLN A 12 -17.447 -4.977 -4.199 1.00 84.98 C +ATOM 83 OE1 GLN A 12 -17.774 -3.830 -3.920 1.00 78.51 O +ATOM 84 NE2 GLN A 12 -17.648 -5.497 -5.397 1.00 77.29 N +ATOM 85 N GLY A 13 -12.961 -3.846 -1.132 1.00 95.95 N +ATOM 86 CA GLY A 13 -12.331 -3.216 0.002 1.00 95.46 C +ATOM 87 C GLY A 13 -11.445 -2.045 -0.362 1.00 95.74 C +ATOM 88 O GLY A 13 -11.121 -1.828 -1.533 1.00 95.60 O +ATOM 89 N PRO A 14 -11.029 -1.283 0.641 1.00 96.31 N +ATOM 90 CA PRO A 14 -10.152 -0.141 0.427 1.00 96.37 C +ATOM 91 C PRO A 14 -8.731 -0.589 0.126 1.00 96.51 C +ATOM 92 O PRO A 14 -8.368 -1.741 0.338 1.00 95.90 O +ATOM 93 CB PRO A 14 -10.224 0.616 1.746 1.00 95.05 C +ATOM 94 CG PRO A 14 -10.446 -0.460 2.748 1.00 93.55 C +ATOM 95 CD PRO A 14 -11.329 -1.470 2.059 1.00 95.30 C +HETATM 96 N HYP A 15 -7.944 0.381 -0.331 1.00 96.08 N +HETATM 97 CA HYP A 15 -6.540 0.096 -0.561 1.00 96.05 C +HETATM 98 C HYP A 15 -5.854 -0.305 0.716 1.00 96.76 C +HETATM 99 O HYP A 15 -6.270 0.169 1.807 1.00 96.19 O +HETATM 100 CB HYP A 15 -6.024 1.453 -1.099 1.00 94.29 C +HETATM 101 CG HYP A 15 -7.245 2.118 -1.695 1.00 93.38 C +HETATM 102 CD HYP A 15 -8.341 1.729 -0.737 1.00 95.10 C +HETATM 103 OD1 HYP A 15 -7.511 1.623 -2.964 1.00 92.92 O +ATOM 104 N GLY A 16 -4.890 -1.167 0.617 1.00 96.33 N +ATOM 105 CA GLY A 16 -4.124 -1.532 1.780 1.00 96.09 C +ATOM 106 C GLY A 16 -3.309 -0.364 2.287 1.00 96.32 C +ATOM 107 O GLY A 16 -3.160 0.649 1.605 1.00 96.17 O +ATOM 108 N PRO A 17 -2.778 -0.495 3.499 1.00 95.61 N +ATOM 109 CA PRO A 17 -1.958 0.562 4.063 1.00 95.35 C +ATOM 110 C PRO A 17 -0.634 0.679 3.325 1.00 95.61 C +ATOM 111 O PRO A 17 -0.211 -0.244 2.632 1.00 94.93 O +ATOM 112 CB PRO A 17 -1.756 0.130 5.505 1.00 94.08 C +ATOM 113 CG PRO A 17 -1.848 -1.355 5.440 1.00 92.63 C +ATOM 114 CD PRO A 17 -2.877 -1.644 4.389 1.00 94.72 C +HETATM 115 N HYP A 18 0.018 1.845 3.503 1.00 94.26 N +HETATM 116 CA HYP A 18 1.325 1.983 2.938 1.00 93.38 C +HETATM 117 C HYP A 18 2.270 0.937 3.450 1.00 95.27 C +HETATM 118 O HYP A 18 2.155 0.506 4.618 1.00 94.93 O +HETATM 119 CB HYP A 18 1.758 3.390 3.409 1.00 91.67 C +HETATM 120 CG HYP A 18 0.463 4.131 3.616 1.00 91.02 C +HETATM 121 CD HYP A 18 -0.457 3.052 4.156 1.00 93.96 C +HETATM 122 OD1 HYP A 18 -0.039 4.610 2.381 1.00 90.76 O +ATOM 123 N GLY A 19 3.126 0.445 2.588 1.00 93.03 N +ATOM 124 CA GLY A 19 4.103 -0.529 2.994 1.00 92.58 C +ATOM 125 C GLY A 19 5.071 0.055 4.000 1.00 92.81 C +ATOM 126 O GLY A 19 5.158 1.270 4.170 1.00 93.56 O +ATOM 127 N PRO A 20 5.817 -0.807 4.688 1.00 92.13 N +ATOM 128 CA PRO A 20 6.793 -0.332 5.653 1.00 92.28 C +ATOM 129 C PRO A 20 7.961 0.348 4.958 1.00 92.34 C +ATOM 130 O PRO A 20 8.193 0.154 3.770 1.00 92.59 O +ATOM 131 CB PRO A 20 7.232 -1.608 6.361 1.00 90.01 C +ATOM 132 CG PRO A 20 7.041 -2.663 5.331 1.00 87.41 C +ATOM 133 CD PRO A 20 5.815 -2.255 4.567 1.00 90.40 C +HETATM 134 N HYP A 21 8.674 1.160 5.728 1.00 94.27 N +HETATM 135 CA HYP A 21 9.865 1.771 5.191 1.00 92.69 C +HETATM 136 C HYP A 21 10.867 0.764 4.673 1.00 94.79 C +HETATM 137 O HYP A 21 10.969 -0.315 5.264 1.00 94.22 O +HETATM 138 CB HYP A 21 10.440 2.569 6.362 1.00 91.89 C +HETATM 139 CG HYP A 21 9.248 2.864 7.245 1.00 90.38 C +HETATM 140 CD HYP A 21 8.401 1.598 7.111 1.00 92.76 C +HETATM 141 OD1 HYP A 21 8.506 3.964 6.735 1.00 89.45 O +ATOM 142 N GLY A 22 11.482 1.025 3.578 1.00 93.73 N +ATOM 143 CA GLY A 22 12.499 0.161 3.059 1.00 92.19 C +ATOM 144 C GLY A 22 13.728 0.168 3.957 1.00 92.00 C +ATOM 145 O GLY A 22 13.802 0.931 4.917 1.00 91.97 O +ATOM 146 N PRO A 23 14.726 -0.670 3.660 1.00 94.62 N +ATOM 147 CA PRO A 23 15.940 -0.717 4.458 1.00 93.98 C +ATOM 148 C PRO A 23 16.777 0.527 4.196 1.00 92.92 C +ATOM 149 O PRO A 23 17.530 0.579 3.227 1.00 90.17 O +ATOM 150 CB PRO A 23 16.624 -1.986 3.981 1.00 91.92 C +ATOM 151 CG PRO A 23 16.152 -2.155 2.584 1.00 90.03 C +ATOM 152 CD PRO A 23 14.755 -1.599 2.552 1.00 93.19 C +HETATM 153 N HYP A 24 16.610 1.567 4.930 1.00 95.78 N +HETATM 154 CA HYP A 24 16.951 2.968 4.543 1.00 91.90 C +HETATM 155 C HYP A 24 16.064 3.743 3.792 1.00 95.26 C +HETATM 156 O HYP A 24 16.508 4.413 2.736 1.00 94.42 O +HETATM 157 CB HYP A 24 17.210 3.675 5.927 1.00 90.45 C +HETATM 158 CG HYP A 24 17.354 2.566 6.968 1.00 90.28 C +HETATM 159 CD HYP A 24 16.891 1.279 6.282 1.00 93.51 C +HETATM 160 OD1 HYP A 24 18.701 2.397 7.313 1.00 90.44 O +HETATM 161 OXT HYP A 24 14.961 4.429 4.322 1.00 89.44 O +TER 162 HYP A 24 +END diff --git a/protein_pdb_416.txt b/protein_pdb_416.txt new file mode 100644 index 0000000000000000000000000000000000000000..0b65cba035a6d4239ce1859d8e02c5df2a04cdb0 --- /dev/null +++ b/protein_pdb_416.txt @@ -0,0 +1,151 @@ +ATOM 1 N GLY A 1 -26.316 9.262 -21.017 1.00 87.91 N +ATOM 2 CA GLY A 1 -26.134 9.619 -19.613 1.00 89.44 C +ATOM 3 C GLY A 1 -24.762 10.195 -19.361 1.00 89.93 C +ATOM 4 O GLY A 1 -23.889 10.135 -20.226 1.00 88.29 O +ATOM 5 N PRO A 2 -24.531 10.773 -18.197 1.00 88.81 N +ATOM 6 CA PRO A 2 -23.239 11.370 -17.861 1.00 90.45 C +ATOM 7 C PRO A 2 -22.164 10.309 -17.680 1.00 89.94 C +ATOM 8 O PRO A 2 -22.454 9.129 -17.494 1.00 89.32 O +ATOM 9 CB PRO A 2 -23.515 12.115 -16.555 1.00 88.27 C +ATOM 10 CG PRO A 2 -24.602 11.313 -15.932 1.00 84.02 C +ATOM 11 CD PRO A 2 -25.479 10.897 -17.092 1.00 85.28 C +HETATM 12 N HYP A 3 -20.990 10.716 -17.803 1.00 88.55 N +HETATM 13 CA HYP A 3 -19.819 9.815 -17.506 1.00 88.56 C +HETATM 14 C HYP A 3 -19.891 9.181 -16.168 1.00 88.59 C +HETATM 15 O HYP A 3 -20.449 9.784 -15.241 1.00 88.46 O +HETATM 16 CB HYP A 3 -18.656 10.765 -17.669 1.00 87.31 C +HETATM 17 CG HYP A 3 -19.142 11.842 -18.630 1.00 83.20 C +HETATM 18 CD HYP A 3 -20.608 12.029 -18.194 1.00 86.48 C +HETATM 19 OD1 HYP A 3 -19.101 11.403 -19.946 1.00 86.33 O +ATOM 20 N GLY A 4 -19.368 7.951 -16.033 1.00 91.71 N +ATOM 21 CA GLY A 4 -19.365 7.250 -14.773 1.00 90.58 C +ATOM 22 C GLY A 4 -18.473 7.955 -13.763 1.00 90.13 C +ATOM 23 O GLY A 4 -17.660 8.809 -14.126 1.00 89.44 O +ATOM 24 N PRO A 5 -18.595 7.599 -12.489 1.00 90.23 N +ATOM 25 CA PRO A 5 -17.784 8.225 -11.449 1.00 89.48 C +ATOM 26 C PRO A 5 -16.338 7.772 -11.527 1.00 89.21 C +ATOM 27 O PRO A 5 -16.019 6.753 -12.129 1.00 89.12 O +ATOM 28 CB PRO A 5 -18.452 7.769 -10.160 1.00 87.71 C +ATOM 29 CG PRO A 5 -19.011 6.430 -10.528 1.00 85.33 C +ATOM 30 CD PRO A 5 -19.506 6.606 -11.947 1.00 87.06 C +HETATM 31 N HYP A 6 -15.472 8.551 -10.973 1.00 91.38 N +HETATM 32 CA HYP A 6 -14.065 8.119 -10.798 1.00 92.08 C +HETATM 33 C HYP A 6 -13.937 6.834 -10.119 1.00 90.25 C +HETATM 34 O HYP A 6 -14.761 6.493 -9.243 1.00 88.37 O +HETATM 35 CB HYP A 6 -13.485 9.287 -10.024 1.00 86.46 C +HETATM 36 CG HYP A 6 -14.346 10.473 -10.396 1.00 86.34 C +HETATM 37 CD HYP A 6 -15.694 9.852 -10.487 1.00 89.42 C +HETATM 38 OD1 HYP A 6 -13.965 11.026 -11.625 1.00 85.47 O +ATOM 39 N GLY A 7 -12.911 6.035 -10.450 1.00 92.84 N +ATOM 40 CA GLY A 7 -12.672 4.753 -9.840 1.00 91.97 C +ATOM 41 C GLY A 7 -12.299 4.898 -8.376 1.00 92.32 C +ATOM 42 O GLY A 7 -12.019 5.996 -7.898 1.00 91.54 O +ATOM 43 N PRO A 8 -12.271 3.787 -7.649 1.00 89.02 N +ATOM 44 CA PRO A 8 -11.927 3.824 -6.235 1.00 89.49 C +ATOM 45 C PRO A 8 -10.442 4.095 -6.028 1.00 88.70 C +ATOM 46 O PRO A 8 -9.633 3.902 -6.928 1.00 87.52 O +ATOM 47 CB PRO A 8 -12.322 2.435 -5.736 1.00 87.86 C +ATOM 48 CG PRO A 8 -12.108 1.580 -6.937 1.00 87.40 C +ATOM 49 CD PRO A 8 -12.575 2.435 -8.094 1.00 88.82 C +HETATM 50 N HYP A 9 -10.068 4.498 -4.866 1.00 90.25 N +HETATM 51 CA HYP A 9 -8.698 4.693 -4.501 1.00 89.95 C +HETATM 52 C HYP A 9 -7.954 3.410 -4.557 1.00 89.99 C +HETATM 53 O HYP A 9 -8.497 2.330 -4.325 1.00 87.48 O +HETATM 54 CB HYP A 9 -8.788 5.154 -3.048 1.00 87.78 C +HETATM 55 CG HYP A 9 -10.126 5.764 -2.938 1.00 87.30 C +HETATM 56 CD HYP A 9 -10.943 4.912 -3.819 1.00 89.53 C +HETATM 57 OD1 HYP A 9 -10.096 7.086 -3.440 1.00 84.96 O +ATOM 58 N GLY A 10 -6.649 3.493 -4.800 1.00 90.67 N +ATOM 59 CA GLY A 10 -5.821 2.320 -4.808 1.00 88.28 C +ATOM 60 C GLY A 10 -5.773 1.665 -3.438 1.00 88.89 C +ATOM 61 O GLY A 10 -6.076 2.288 -2.418 1.00 87.17 O +ATOM 62 N GLY A 11 -5.385 0.400 -3.420 1.00 89.12 N +ATOM 63 CA GLY A 11 -5.293 -0.322 -2.161 1.00 88.70 C +ATOM 64 C GLY A 11 -4.137 0.175 -1.311 1.00 89.40 C +ATOM 65 O GLY A 11 -3.227 0.856 -1.790 1.00 87.12 O +ATOM 66 N VAL A 12 -4.155 -0.198 -0.028 1.00 86.88 N +ATOM 67 CA VAL A 12 -3.064 0.156 0.870 1.00 86.91 C +ATOM 68 C VAL A 12 -1.805 -0.533 0.354 1.00 85.92 C +ATOM 69 O VAL A 12 -1.843 -1.698 -0.047 1.00 82.94 O +ATOM 70 CB VAL A 12 -3.379 -0.296 2.310 1.00 84.20 C +ATOM 71 CG1 VAL A 12 -2.203 -0.006 3.229 1.00 78.48 C +ATOM 72 CG2 VAL A 12 -4.623 0.410 2.817 1.00 79.03 C +ATOM 73 N GLY A 13 -0.710 0.206 0.369 1.00 90.45 N +ATOM 74 CA GLY A 13 0.537 -0.350 -0.109 1.00 88.51 C +ATOM 75 C GLY A 13 1.026 -1.526 0.722 1.00 89.50 C +ATOM 76 O GLY A 13 0.525 -1.773 1.824 1.00 89.37 O +ATOM 77 N PRO A 14 1.994 -2.268 0.208 1.00 90.32 N +ATOM 78 CA PRO A 14 2.516 -3.423 0.922 1.00 91.27 C +ATOM 79 C PRO A 14 3.323 -3.012 2.151 1.00 91.33 C +ATOM 80 O PRO A 14 3.734 -1.863 2.279 1.00 90.67 O +ATOM 81 CB PRO A 14 3.400 -4.115 -0.115 1.00 89.99 C +ATOM 82 CG PRO A 14 3.871 -2.991 -0.967 1.00 88.65 C +ATOM 83 CD PRO A 14 2.668 -2.078 -1.076 1.00 88.73 C +HETATM 84 N HYP A 15 3.568 -3.957 3.068 1.00 88.65 N +HETATM 85 CA HYP A 15 4.388 -3.719 4.196 1.00 88.26 C +HETATM 86 C HYP A 15 5.771 -3.265 3.817 1.00 91.36 C +HETATM 87 O HYP A 15 6.270 -3.661 2.753 1.00 83.56 O +HETATM 88 CB HYP A 15 4.428 -5.099 4.873 1.00 89.10 C +HETATM 89 CG HYP A 15 3.133 -5.692 4.474 1.00 84.78 C +HETATM 90 CD HYP A 15 2.980 -5.235 3.078 1.00 86.27 C +HETATM 91 OD1 HYP A 15 2.086 -5.211 5.260 1.00 85.43 O +ATOM 92 N GLY A 16 6.372 -2.443 4.615 1.00 93.12 N +ATOM 93 CA GLY A 16 7.713 -1.985 4.358 1.00 92.16 C +ATOM 94 C GLY A 16 8.695 -3.141 4.448 1.00 92.51 C +ATOM 95 O GLY A 16 8.360 -4.227 4.923 1.00 92.30 O +ATOM 96 N PRO A 17 9.914 -2.916 3.989 1.00 89.01 N +ATOM 97 CA PRO A 17 10.924 -3.965 4.037 1.00 89.38 C +ATOM 98 C PRO A 17 11.376 -4.230 5.464 1.00 89.40 C +ATOM 99 O PRO A 17 11.177 -3.419 6.354 1.00 89.20 O +ATOM 100 CB PRO A 17 12.057 -3.400 3.181 1.00 87.49 C +ATOM 101 CG PRO A 17 11.923 -1.932 3.368 1.00 85.44 C +ATOM 102 CD PRO A 17 10.433 -1.683 3.386 1.00 86.92 C +HETATM 103 N HYP A 18 11.951 -5.376 5.702 1.00 90.85 N +HETATM 104 CA HYP A 18 12.576 -5.692 6.947 1.00 91.28 C +HETATM 105 C HYP A 18 13.580 -4.673 7.359 1.00 91.16 C +HETATM 106 O HYP A 18 14.216 -4.069 6.506 1.00 86.78 O +HETATM 107 CB HYP A 18 13.157 -7.061 6.718 1.00 89.99 C +HETATM 108 CG HYP A 18 12.265 -7.671 5.658 1.00 85.94 C +HETATM 109 CD HYP A 18 11.952 -6.489 4.810 1.00 88.51 C +HETATM 110 OD1 HYP A 18 11.077 -8.198 6.183 1.00 87.28 O +ATOM 111 N GLY A 19 13.710 -4.439 8.653 1.00 91.24 N +ATOM 112 CA GLY A 19 14.655 -3.483 9.170 1.00 90.26 C +ATOM 113 C GLY A 19 16.079 -3.911 8.860 1.00 90.31 C +ATOM 114 O GLY A 19 16.327 -5.024 8.408 1.00 89.05 O +ATOM 115 N PRO A 20 17.030 -3.024 9.109 1.00 85.01 N +ATOM 116 CA PRO A 20 18.424 -3.346 8.834 1.00 84.68 C +ATOM 117 C PRO A 20 18.960 -4.376 9.822 1.00 84.11 C +ATOM 118 O PRO A 20 18.391 -4.589 10.886 1.00 82.77 O +ATOM 119 CB PRO A 20 19.125 -1.997 8.999 1.00 82.57 C +ATOM 120 CG PRO A 20 18.279 -1.295 10.002 1.00 80.22 C +ATOM 121 CD PRO A 20 16.862 -1.684 9.644 1.00 80.74 C +HETATM 122 N HYP A 21 20.045 -5.028 9.484 1.00 89.15 N +HETATM 123 CA HYP A 21 20.702 -5.951 10.354 1.00 89.37 C +HETATM 124 C HYP A 21 21.160 -5.304 11.637 1.00 90.07 C +HETATM 125 O HYP A 21 21.487 -4.128 11.642 1.00 88.11 O +HETATM 126 CB HYP A 21 21.905 -6.429 9.517 1.00 87.52 C +HETATM 127 CG HYP A 21 21.451 -6.260 8.083 1.00 86.08 C +HETATM 128 CD HYP A 21 20.631 -5.016 8.166 1.00 87.56 C +HETATM 129 OD1 HYP A 21 20.641 -7.329 7.661 1.00 86.19 O +ATOM 130 N GLY A 22 21.110 -6.018 12.720 1.00 90.04 N +ATOM 131 CA GLY A 22 21.547 -5.494 13.989 1.00 88.69 C +ATOM 132 C GLY A 22 23.043 -5.229 13.973 1.00 88.83 C +ATOM 133 O GLY A 22 23.742 -5.605 13.033 1.00 86.49 O +ATOM 134 N PRO A 23 23.551 -4.620 15.028 1.00 87.42 N +ATOM 135 CA PRO A 23 24.980 -4.328 15.085 1.00 88.08 C +ATOM 136 C PRO A 23 25.780 -5.602 15.267 1.00 87.24 C +ATOM 137 O PRO A 23 25.258 -6.630 15.699 1.00 84.11 O +ATOM 138 CB PRO A 23 25.101 -3.394 16.287 1.00 84.28 C +ATOM 139 CG PRO A 23 23.973 -3.817 17.156 1.00 81.76 C +ATOM 140 CD PRO A 23 22.854 -4.140 16.208 1.00 82.49 C +HETATM 141 N HYP A 24 27.045 -5.572 15.012 1.00 85.26 N +HETATM 142 CA HYP A 24 27.861 -6.733 15.184 1.00 85.93 C +HETATM 143 C HYP A 24 27.868 -7.118 16.594 1.00 81.15 C +HETATM 144 O HYP A 24 28.135 -6.243 17.434 1.00 78.70 O +HETATM 145 CB HYP A 24 29.251 -6.355 14.679 1.00 85.16 C +HETATM 146 CG HYP A 24 29.015 -5.190 13.805 1.00 84.30 C +HETATM 147 CD HYP A 24 27.764 -4.542 14.382 1.00 84.03 C +HETATM 148 OD1 HYP A 24 28.727 -5.649 12.497 1.00 81.23 O +HETATM 149 OXT HYP A 24 27.609 -8.298 16.871 1.00 75.24 O +TER 150 HYP A 24 +END diff --git a/protein_pdb_417.txt b/protein_pdb_417.txt new file mode 100644 index 0000000000000000000000000000000000000000..888fcac2a215b60ff8d684c5162784983967f5d1 --- /dev/null +++ b/protein_pdb_417.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -12.627 11.730 3.792 1.00 91.40 N +ATOM 2 CA GLY A 1 -12.850 10.535 3.024 1.00 92.52 C +ATOM 3 C GLY A 1 -12.274 9.318 3.704 1.00 93.21 C +ATOM 4 O GLY A 1 -11.544 9.438 4.688 1.00 91.44 O +ATOM 5 N PRO A 2 -12.524 8.161 3.199 1.00 91.30 N +ATOM 6 CA PRO A 2 -12.043 6.928 3.795 1.00 91.78 C +ATOM 7 C PRO A 2 -10.568 6.696 3.523 1.00 91.24 C +ATOM 8 O PRO A 2 -9.987 7.286 2.614 1.00 89.00 O +ATOM 9 CB PRO A 2 -12.912 5.867 3.127 1.00 88.52 C +ATOM 10 CG PRO A 2 -13.229 6.455 1.804 1.00 85.60 C +ATOM 11 CD PRO A 2 -13.390 7.927 2.055 1.00 88.05 C +HETATM 12 N HYP A 3 -9.989 5.826 4.329 1.00 92.28 N +HETATM 13 CA HYP A 3 -8.587 5.447 4.112 1.00 88.48 C +HETATM 14 C HYP A 3 -8.392 4.744 2.761 1.00 92.17 C +HETATM 15 O HYP A 3 -9.339 4.076 2.265 1.00 92.93 O +HETATM 16 CB HYP A 3 -8.352 4.394 5.265 1.00 89.64 C +HETATM 17 CG HYP A 3 -9.343 4.811 6.347 1.00 86.54 C +HETATM 18 CD HYP A 3 -10.568 5.286 5.514 1.00 90.18 C +HETATM 19 OD1 HYP A 3 -8.805 5.892 7.053 1.00 88.27 O +ATOM 20 N GLY A 4 -7.253 4.944 2.168 1.00 92.02 N +ATOM 21 CA GLY A 4 -6.941 4.314 0.918 1.00 91.08 C +ATOM 22 C GLY A 4 -6.720 2.821 1.091 1.00 91.30 C +ATOM 23 O GLY A 4 -6.641 2.318 2.215 1.00 91.44 O +ATOM 24 N PRO A 5 -6.604 2.096 -0.017 1.00 92.41 N +ATOM 25 CA PRO A 5 -6.394 0.660 0.044 1.00 92.18 C +ATOM 26 C PRO A 5 -4.976 0.322 0.481 1.00 91.73 C +ATOM 27 O PRO A 5 -4.084 1.167 0.442 1.00 90.73 O +ATOM 28 CB PRO A 5 -6.664 0.206 -1.390 1.00 90.10 C +ATOM 29 CG PRO A 5 -6.266 1.386 -2.204 1.00 88.62 C +ATOM 30 CD PRO A 5 -6.674 2.584 -1.394 1.00 90.95 C +HETATM 31 N HYP A 6 -4.789 -0.941 0.903 1.00 92.75 N +HETATM 32 CA HYP A 6 -3.460 -1.413 1.232 1.00 92.39 C +HETATM 33 C HYP A 6 -2.513 -1.316 0.065 1.00 93.79 C +HETATM 34 O HYP A 6 -2.959 -1.400 -1.115 1.00 91.43 O +HETATM 35 CB HYP A 6 -3.713 -2.888 1.620 1.00 89.95 C +HETATM 36 CG HYP A 6 -5.149 -2.926 2.092 1.00 89.35 C +HETATM 37 CD HYP A 6 -5.835 -1.923 1.146 1.00 91.70 C +HETATM 38 OD1 HYP A 6 -5.215 -2.452 3.414 1.00 88.14 O +ATOM 39 N GLY A 7 -1.262 -1.116 0.324 1.00 93.11 N +ATOM 40 CA GLY A 7 -0.264 -1.051 -0.703 1.00 92.59 C +ATOM 41 C GLY A 7 -0.103 -2.395 -1.394 1.00 92.32 C +ATOM 42 O GLY A 7 -0.640 -3.409 -0.954 1.00 91.97 O +ATOM 43 N PRO A 8 0.653 -2.406 -2.479 1.00 93.22 N +ATOM 44 CA PRO A 8 0.828 -3.641 -3.229 1.00 92.86 C +ATOM 45 C PRO A 8 1.692 -4.658 -2.501 1.00 92.44 C +ATOM 46 O PRO A 8 2.583 -4.309 -1.732 1.00 89.67 O +ATOM 47 CB PRO A 8 1.472 -3.184 -4.540 1.00 90.33 C +ATOM 48 CG PRO A 8 2.112 -1.891 -4.215 1.00 89.66 C +ATOM 49 CD PRO A 8 1.307 -1.272 -3.116 1.00 91.71 C +HETATM 50 N HYP A 9 1.415 -5.947 -2.821 1.00 91.57 N +HETATM 51 CA HYP A 9 2.165 -7.028 -2.255 1.00 91.58 C +HETATM 52 C HYP A 9 3.552 -7.087 -2.871 1.00 91.87 C +HETATM 53 O HYP A 9 3.783 -6.556 -3.940 1.00 89.26 O +HETATM 54 CB HYP A 9 1.466 -8.318 -2.787 1.00 88.13 C +HETATM 55 CG HYP A 9 0.128 -7.876 -3.262 1.00 87.70 C +HETATM 56 CD HYP A 9 0.303 -6.451 -3.669 1.00 90.70 C +HETATM 57 OD1 HYP A 9 -0.776 -7.908 -2.173 1.00 86.27 O +ATOM 58 N GLY A 10 4.488 -7.732 -2.405 1.00 91.61 N +ATOM 59 CA GLY A 10 5.765 -7.937 -3.041 1.00 89.58 C +ATOM 60 C GLY A 10 6.631 -8.866 -2.219 1.00 88.61 C +ATOM 61 O GLY A 10 6.326 -9.169 -1.069 1.00 86.67 O +ATOM 62 N PHE A 11 7.733 -9.305 -2.821 1.00 89.77 N +ATOM 63 CA PHE A 11 8.630 -10.216 -2.119 1.00 91.14 C +ATOM 64 C PHE A 11 9.299 -9.558 -0.916 1.00 91.14 C +ATOM 65 O PHE A 11 9.817 -10.260 -0.043 1.00 88.91 O +ATOM 66 CB PHE A 11 9.669 -10.792 -3.086 1.00 89.21 C +ATOM 67 CG PHE A 11 10.596 -9.769 -3.688 1.00 85.40 C +ATOM 68 CD1 PHE A 11 11.741 -9.367 -3.014 1.00 82.64 C +ATOM 69 CD2 PHE A 11 10.328 -9.217 -4.928 1.00 81.29 C +ATOM 70 CE1 PHE A 11 12.600 -8.428 -3.568 1.00 79.85 C +ATOM 71 CE2 PHE A 11 11.185 -8.267 -5.485 1.00 79.97 C +ATOM 72 CZ PHE A 11 12.318 -7.884 -4.800 1.00 79.57 C +ATOM 73 N GLU A 12 9.302 -8.244 -0.873 1.00 86.65 N +ATOM 74 CA GLU A 12 9.914 -7.551 0.248 1.00 88.45 C +ATOM 75 C GLU A 12 9.016 -7.453 1.473 1.00 89.07 C +ATOM 76 O GLU A 12 9.478 -7.068 2.545 1.00 84.15 O +ATOM 77 CB GLU A 12 10.366 -6.150 -0.176 1.00 83.32 C +ATOM 78 CG GLU A 12 11.423 -6.188 -1.248 1.00 77.71 C +ATOM 79 CD GLU A 12 12.124 -4.858 -1.427 1.00 73.21 C +ATOM 80 OE1 GLU A 12 11.419 -3.859 -1.660 1.00 67.33 O +ATOM 81 OE2 GLU A 12 13.358 -4.823 -1.334 1.00 69.03 O +ATOM 82 N GLY A 13 7.764 -7.797 1.328 1.00 93.19 N +ATOM 83 CA GLY A 13 6.871 -7.739 2.467 1.00 92.19 C +ATOM 84 C GLY A 13 5.411 -7.801 2.091 1.00 92.73 C +ATOM 85 O GLY A 13 5.066 -7.878 0.914 1.00 92.40 O +ATOM 86 N PRO A 14 4.561 -7.782 3.094 1.00 94.02 N +ATOM 87 CA PRO A 14 3.126 -7.840 2.870 1.00 93.97 C +ATOM 88 C PRO A 14 2.610 -6.522 2.303 1.00 93.91 C +ATOM 89 O PRO A 14 3.364 -5.566 2.146 1.00 92.10 O +ATOM 90 CB PRO A 14 2.565 -8.111 4.261 1.00 92.05 C +ATOM 91 CG PRO A 14 3.539 -7.444 5.171 1.00 90.68 C +ATOM 92 CD PRO A 14 4.876 -7.661 4.527 1.00 92.49 C +HETATM 93 N HYP A 15 1.320 -6.521 2.029 1.00 92.39 N +HETATM 94 CA HYP A 15 0.701 -5.300 1.554 1.00 93.17 C +HETATM 95 C HYP A 15 0.982 -4.165 2.482 1.00 93.18 C +HETATM 96 O HYP A 15 1.079 -4.387 3.727 1.00 92.19 O +HETATM 97 CB HYP A 15 -0.796 -5.656 1.533 1.00 89.99 C +HETATM 98 CG HYP A 15 -0.817 -7.157 1.363 1.00 88.97 C +HETATM 99 CD HYP A 15 0.372 -7.618 2.183 1.00 91.84 C +HETATM 100 OD1 HYP A 15 -0.622 -7.487 0.030 1.00 88.42 O +ATOM 101 N GLY A 16 1.144 -3.004 1.946 1.00 94.90 N +ATOM 102 CA GLY A 16 1.377 -1.839 2.759 1.00 94.55 C +ATOM 103 C GLY A 16 0.131 -1.475 3.546 1.00 94.91 C +ATOM 104 O GLY A 16 -0.937 -2.048 3.344 1.00 94.58 O +ATOM 105 N PRO A 17 0.283 -0.527 4.447 1.00 90.64 N +ATOM 106 CA PRO A 17 -0.854 -0.092 5.246 1.00 90.79 C +ATOM 107 C PRO A 17 -1.847 0.695 4.397 1.00 91.03 C +ATOM 108 O PRO A 17 -1.528 1.137 3.297 1.00 89.14 O +ATOM 109 CB PRO A 17 -0.225 0.781 6.323 1.00 88.12 C +ATOM 110 CG PRO A 17 1.008 1.306 5.679 1.00 87.14 C +ATOM 111 CD PRO A 17 1.505 0.203 4.784 1.00 89.41 C +HETATM 112 N HYP A 18 -3.057 0.843 4.925 1.00 91.57 N +HETATM 113 CA HYP A 18 -4.014 1.653 4.262 1.00 88.98 C +HETATM 114 C HYP A 18 -3.543 3.063 4.037 1.00 92.16 C +HETATM 115 O HYP A 18 -2.765 3.588 4.871 1.00 89.23 O +HETATM 116 CB HYP A 18 -5.217 1.595 5.226 1.00 88.07 C +HETATM 117 CG HYP A 18 -5.053 0.270 5.941 1.00 86.88 C +HETATM 118 CD HYP A 18 -3.548 0.177 6.101 1.00 91.19 C +HETATM 119 OD1 HYP A 18 -5.506 -0.775 5.116 1.00 86.56 O +ATOM 120 N GLY A 19 -3.930 3.638 2.960 1.00 88.42 N +ATOM 121 CA GLY A 19 -3.558 4.995 2.664 1.00 87.25 C +ATOM 122 C GLY A 19 -4.195 5.957 3.644 1.00 87.01 C +ATOM 123 O GLY A 19 -5.036 5.578 4.461 1.00 87.64 O +ATOM 124 N PRO A 20 -3.785 7.205 3.573 1.00 86.70 N +ATOM 125 CA PRO A 20 -4.320 8.201 4.488 1.00 87.06 C +ATOM 126 C PRO A 20 -5.773 8.527 4.180 1.00 86.12 C +ATOM 127 O PRO A 20 -6.249 8.311 3.072 1.00 85.75 O +ATOM 128 CB PRO A 20 -3.426 9.411 4.251 1.00 84.08 C +ATOM 129 CG PRO A 20 -2.989 9.253 2.834 1.00 81.76 C +ATOM 130 CD PRO A 20 -2.820 7.773 2.639 1.00 85.49 C +HETATM 131 N HYP A 21 -6.456 9.035 5.178 1.00 90.86 N +HETATM 132 CA HYP A 21 -7.785 9.479 4.978 1.00 87.99 C +HETATM 133 C HYP A 21 -7.906 10.591 3.970 1.00 90.87 C +HETATM 134 O HYP A 21 -6.967 11.402 3.869 1.00 91.86 O +HETATM 135 CB HYP A 21 -8.209 10.009 6.386 1.00 87.66 C +HETATM 136 CG HYP A 21 -7.322 9.274 7.363 1.00 85.87 C +HETATM 137 CD HYP A 21 -6.013 9.146 6.583 1.00 90.67 C +HETATM 138 OD1 HYP A 21 -7.847 7.961 7.585 1.00 84.75 O +ATOM 139 N GLY A 22 -8.893 10.554 3.169 1.00 89.44 N +ATOM 140 CA GLY A 22 -9.123 11.624 2.238 1.00 87.17 C +ATOM 141 C GLY A 22 -9.635 12.846 2.984 1.00 87.02 C +ATOM 142 O GLY A 22 -9.837 12.809 4.200 1.00 86.55 O +ATOM 143 N PRO A 23 -9.868 13.932 2.273 1.00 90.40 N +ATOM 144 CA PRO A 23 -10.404 15.119 2.926 1.00 90.39 C +ATOM 145 C PRO A 23 -11.819 14.853 3.405 1.00 88.72 C +ATOM 146 O PRO A 23 -12.588 14.172 2.732 1.00 84.03 O +ATOM 147 CB PRO A 23 -10.352 16.181 1.836 1.00 86.50 C +ATOM 148 CG PRO A 23 -10.389 15.409 0.567 1.00 84.23 C +ATOM 149 CD PRO A 23 -9.665 14.127 0.844 1.00 87.32 C +HETATM 150 N HYP A 24 -12.155 15.287 4.521 1.00 93.19 N +HETATM 151 CA HYP A 24 -13.449 14.855 5.034 1.00 85.82 C +HETATM 152 C HYP A 24 -13.899 13.514 4.712 1.00 91.38 C +HETATM 153 O HYP A 24 -14.920 13.355 4.014 1.00 89.07 O +HETATM 154 CB HYP A 24 -13.870 15.758 6.048 1.00 87.35 C +HETATM 155 CG HYP A 24 -12.958 16.997 5.849 1.00 87.56 C +HETATM 156 CD HYP A 24 -11.748 16.517 5.004 1.00 91.14 C +HETATM 157 OD1 HYP A 24 -12.447 17.464 7.073 1.00 88.05 O +HETATM 158 OXT HYP A 24 -13.531 12.525 5.508 1.00 87.70 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_418.txt b/protein_pdb_418.txt new file mode 100644 index 0000000000000000000000000000000000000000..5cd276ee71e555b4aa322f14797dc0948e502cef --- /dev/null +++ b/protein_pdb_418.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -12.335 10.784 6.776 1.00 88.84 N +ATOM 2 CA GLY A 1 -12.707 9.480 6.287 1.00 89.64 C +ATOM 3 C GLY A 1 -11.709 8.430 6.709 1.00 90.42 C +ATOM 4 O GLY A 1 -10.670 8.754 7.289 1.00 88.62 O +ATOM 5 N PRO A 2 -11.922 7.121 6.397 1.00 88.03 N +ATOM 6 CA PRO A 2 -11.033 6.044 6.797 1.00 88.39 C +ATOM 7 C PRO A 2 -9.768 6.002 5.957 1.00 88.11 C +ATOM 8 O PRO A 2 -9.709 6.556 4.869 1.00 85.86 O +ATOM 9 CB PRO A 2 -11.882 4.796 6.585 1.00 84.70 C +ATOM 10 CG PRO A 2 -12.818 5.180 5.505 1.00 80.89 C +ATOM 11 CD PRO A 2 -13.118 6.632 5.727 1.00 82.54 C +HETATM 12 N HYP A 3 -8.782 5.331 6.506 1.00 88.25 N +HETATM 13 CA HYP A 3 -7.536 5.124 5.752 1.00 86.65 C +HETATM 14 C HYP A 3 -7.795 4.306 4.486 1.00 89.49 C +HETATM 15 O HYP A 3 -8.728 3.477 4.442 1.00 91.10 O +HETATM 16 CB HYP A 3 -6.707 4.261 6.761 1.00 86.63 C +HETATM 17 CG HYP A 3 -7.262 4.617 8.130 1.00 85.08 C +HETATM 18 CD HYP A 3 -8.767 4.828 7.837 1.00 87.47 C +HETATM 19 OD1 HYP A 3 -6.693 5.836 8.554 1.00 86.46 O +ATOM 20 N GLY A 4 -7.016 4.592 3.467 1.00 91.20 N +ATOM 21 CA GLY A 4 -7.125 3.852 2.239 1.00 90.48 C +ATOM 22 C GLY A 4 -6.645 2.423 2.399 1.00 91.31 C +ATOM 23 O GLY A 4 -6.078 2.047 3.424 1.00 91.63 O +ATOM 24 N PRO A 5 -6.869 1.607 1.377 1.00 89.90 N +ATOM 25 CA PRO A 5 -6.432 0.216 1.436 1.00 89.26 C +ATOM 26 C PRO A 5 -4.922 0.105 1.339 1.00 88.84 C +ATOM 27 O PRO A 5 -4.243 1.031 0.909 1.00 87.69 O +ATOM 28 CB PRO A 5 -7.118 -0.417 0.236 1.00 87.27 C +ATOM 29 CG PRO A 5 -7.263 0.708 -0.726 1.00 85.38 C +ATOM 30 CD PRO A 5 -7.515 1.920 0.111 1.00 87.80 C +HETATM 31 N HYP A 6 -4.413 -1.067 1.767 1.00 89.46 N +HETATM 32 CA HYP A 6 -3.006 -1.317 1.617 1.00 92.16 C +HETATM 33 C HYP A 6 -2.567 -1.270 0.178 1.00 92.89 C +HETATM 34 O HYP A 6 -3.356 -1.594 -0.740 1.00 90.93 O +HETATM 35 CB HYP A 6 -2.880 -2.766 2.187 1.00 87.15 C +HETATM 36 CG HYP A 6 -4.053 -2.922 3.140 1.00 86.57 C +HETATM 37 CD HYP A 6 -5.147 -2.134 2.425 1.00 89.30 C +HETATM 38 OD1 HYP A 6 -3.744 -2.293 4.369 1.00 87.89 O +ATOM 39 N GLY A 7 -1.370 -0.812 -0.038 1.00 91.90 N +ATOM 40 CA GLY A 7 -0.815 -0.759 -1.365 1.00 90.66 C +ATOM 41 C GLY A 7 -0.590 -2.144 -1.934 1.00 90.72 C +ATOM 42 O GLY A 7 -0.733 -3.154 -1.247 1.00 90.35 O +ATOM 43 N PRO A 8 -0.235 -2.195 -3.207 1.00 90.80 N +ATOM 44 CA PRO A 8 -0.003 -3.486 -3.836 1.00 90.06 C +ATOM 45 C PRO A 8 1.254 -4.154 -3.313 1.00 90.13 C +ATOM 46 O PRO A 8 2.158 -3.505 -2.795 1.00 88.50 O +ATOM 47 CB PRO A 8 0.115 -3.147 -5.315 1.00 87.52 C +ATOM 48 CG PRO A 8 0.575 -1.736 -5.334 1.00 86.98 C +ATOM 49 CD PRO A 8 -0.040 -1.086 -4.123 1.00 88.80 C +HETATM 50 N HYP A 9 1.308 -5.482 -3.476 1.00 88.25 N +HETATM 51 CA HYP A 9 2.454 -6.217 -3.087 1.00 87.59 C +HETATM 52 C HYP A 9 3.661 -5.857 -3.919 1.00 88.45 C +HETATM 53 O HYP A 9 3.540 -5.500 -5.104 1.00 87.70 O +HETATM 54 CB HYP A 9 2.068 -7.693 -3.426 1.00 82.00 C +HETATM 55 CG HYP A 9 0.588 -7.711 -3.513 1.00 82.28 C +HETATM 56 CD HYP A 9 0.212 -6.338 -3.973 1.00 87.78 C +HETATM 57 OD1 HYP A 9 0.059 -7.909 -2.217 1.00 83.41 O +ATOM 58 N GLY A 10 4.823 -5.850 -3.341 1.00 90.70 N +ATOM 59 CA GLY A 10 6.048 -5.730 -4.098 1.00 88.19 C +ATOM 60 C GLY A 10 6.314 -7.023 -4.851 1.00 87.91 C +ATOM 61 O GLY A 10 5.453 -7.900 -4.954 1.00 85.97 O +ATOM 62 N PHE A 11 7.515 -7.156 -5.375 1.00 90.29 N +ATOM 63 CA PHE A 11 7.850 -8.381 -6.090 1.00 92.50 C +ATOM 64 C PHE A 11 7.666 -9.602 -5.198 1.00 93.01 C +ATOM 65 O PHE A 11 7.130 -10.622 -5.633 1.00 91.96 O +ATOM 66 CB PHE A 11 9.278 -8.308 -6.611 1.00 91.44 C +ATOM 67 CG PHE A 11 9.482 -7.241 -7.640 1.00 87.39 C +ATOM 68 CD1 PHE A 11 9.041 -7.415 -8.933 1.00 84.36 C +ATOM 69 CD2 PHE A 11 10.097 -6.043 -7.313 1.00 84.63 C +ATOM 70 CE1 PHE A 11 9.217 -6.426 -9.886 1.00 83.46 C +ATOM 71 CE2 PHE A 11 10.273 -5.041 -8.261 1.00 84.70 C +ATOM 72 CZ PHE A 11 9.836 -5.243 -9.548 1.00 84.14 C +ATOM 73 N THR A 12 8.113 -9.479 -3.959 1.00 90.89 N +ATOM 74 CA THR A 12 7.911 -10.517 -2.947 1.00 92.01 C +ATOM 75 C THR A 12 7.364 -9.937 -1.654 1.00 91.97 C +ATOM 76 O THR A 12 6.805 -10.672 -0.839 1.00 88.82 O +ATOM 77 CB THR A 12 9.228 -11.253 -2.636 1.00 89.56 C +ATOM 78 OG1 THR A 12 10.189 -10.308 -2.166 1.00 86.04 O +ATOM 79 CG2 THR A 12 9.782 -11.948 -3.873 1.00 83.59 C +ATOM 80 N GLY A 13 7.555 -8.662 -1.458 1.00 93.39 N +ATOM 81 CA GLY A 13 7.227 -8.027 -0.202 1.00 92.34 C +ATOM 82 C GLY A 13 5.745 -7.896 0.066 1.00 93.04 C +ATOM 83 O GLY A 13 4.901 -8.177 -0.794 1.00 92.84 O +ATOM 84 N PRO A 14 5.431 -7.475 1.270 1.00 92.62 N +ATOM 85 CA PRO A 14 4.045 -7.324 1.683 1.00 92.55 C +ATOM 86 C PRO A 14 3.383 -6.125 1.028 1.00 92.92 C +ATOM 87 O PRO A 14 4.040 -5.288 0.416 1.00 91.47 O +ATOM 88 CB PRO A 14 4.154 -7.132 3.193 1.00 90.82 C +ATOM 89 CG PRO A 14 5.466 -6.449 3.367 1.00 89.69 C +ATOM 90 CD PRO A 14 6.362 -7.058 2.328 1.00 90.89 C +HETATM 91 N HYP A 15 2.086 -6.084 1.198 1.00 91.55 N +HETATM 92 CA HYP A 15 1.354 -4.922 0.739 1.00 93.45 C +HETATM 93 C HYP A 15 1.842 -3.680 1.398 1.00 93.17 C +HETATM 94 O HYP A 15 2.376 -3.727 2.547 1.00 91.68 O +HETATM 95 CB HYP A 15 -0.079 -5.277 1.225 1.00 89.12 C +HETATM 96 CG HYP A 15 -0.110 -6.797 1.272 1.00 86.91 C +HETATM 97 CD HYP A 15 1.272 -7.142 1.761 1.00 90.35 C +HETATM 98 OD1 HYP A 15 -0.320 -7.313 -0.002 1.00 87.86 O +ATOM 99 N GLY A 16 1.734 -2.590 0.709 1.00 94.12 N +ATOM 100 CA GLY A 16 2.121 -1.329 1.281 1.00 93.55 C +ATOM 101 C GLY A 16 1.201 -0.929 2.416 1.00 94.04 C +ATOM 102 O GLY A 16 0.189 -1.577 2.677 1.00 93.67 O +ATOM 103 N PRO A 17 1.572 0.151 3.091 1.00 90.03 N +ATOM 104 CA PRO A 17 0.748 0.622 4.200 1.00 89.68 C +ATOM 105 C PRO A 17 -0.572 1.192 3.708 1.00 90.13 C +ATOM 106 O PRO A 17 -0.734 1.510 2.535 1.00 88.07 O +ATOM 107 CB PRO A 17 1.618 1.691 4.846 1.00 87.62 C +ATOM 108 CG PRO A 17 2.488 2.169 3.752 1.00 86.65 C +ATOM 109 CD PRO A 17 2.747 0.983 2.871 1.00 88.12 C +HETATM 110 N HYP A 18 -1.532 1.296 4.634 1.00 86.68 N +HETATM 111 CA HYP A 18 -2.753 1.924 4.315 1.00 87.99 C +HETATM 112 C HYP A 18 -2.586 3.326 3.828 1.00 88.99 C +HETATM 113 O HYP A 18 -1.629 4.028 4.252 1.00 88.71 O +HETATM 114 CB HYP A 18 -3.481 1.909 5.691 1.00 84.48 C +HETATM 115 CG HYP A 18 -2.904 0.706 6.423 1.00 83.06 C +HETATM 116 CD HYP A 18 -1.458 0.755 5.968 1.00 88.24 C +HETATM 117 OD1 HYP A 18 -3.522 -0.476 5.948 1.00 85.52 O +ATOM 118 N GLY A 19 -3.419 3.728 2.939 1.00 87.93 N +ATOM 119 CA GLY A 19 -3.391 5.074 2.435 1.00 87.89 C +ATOM 120 C GLY A 19 -3.741 6.076 3.509 1.00 88.50 C +ATOM 121 O GLY A 19 -4.135 5.718 4.621 1.00 89.15 O +ATOM 122 N PRO A 20 -3.591 7.348 3.179 1.00 79.42 N +ATOM 123 CA PRO A 20 -3.885 8.382 4.159 1.00 80.29 C +ATOM 124 C PRO A 20 -5.372 8.460 4.452 1.00 80.00 C +ATOM 125 O PRO A 20 -6.205 8.031 3.662 1.00 81.30 O +ATOM 126 CB PRO A 20 -3.385 9.655 3.484 1.00 77.99 C +ATOM 127 CG PRO A 20 -3.474 9.354 2.036 1.00 75.01 C +ATOM 128 CD PRO A 20 -3.164 7.892 1.898 1.00 76.67 C +HETATM 129 N HYP A 21 -5.673 9.011 5.615 1.00 86.75 N +HETATM 130 CA HYP A 21 -7.036 9.231 5.962 1.00 85.69 C +HETATM 131 C HYP A 21 -7.739 10.164 5.015 1.00 88.08 C +HETATM 132 O HYP A 21 -7.101 11.065 4.465 1.00 90.19 O +HETATM 133 CB HYP A 21 -6.941 9.875 7.368 1.00 83.60 C +HETATM 134 CG HYP A 21 -5.608 9.418 7.927 1.00 79.50 C +HETATM 135 CD HYP A 21 -4.737 9.358 6.691 1.00 85.81 C +HETATM 136 OD1 HYP A 21 -5.749 8.085 8.447 1.00 79.83 O +ATOM 137 N GLY A 22 -8.954 9.883 4.714 1.00 87.24 N +ATOM 138 CA GLY A 22 -9.737 10.780 3.919 1.00 85.16 C +ATOM 139 C GLY A 22 -10.088 12.032 4.706 1.00 84.80 C +ATOM 140 O GLY A 22 -9.735 12.160 5.876 1.00 84.97 O +ATOM 141 N PRO A 23 -10.798 12.961 4.080 1.00 87.74 N +ATOM 142 CA PRO A 23 -11.212 14.152 4.810 1.00 87.07 C +ATOM 143 C PRO A 23 -12.195 13.781 5.907 1.00 85.50 C +ATOM 144 O PRO A 23 -12.944 12.820 5.784 1.00 81.99 O +ATOM 145 CB PRO A 23 -11.856 15.022 3.739 1.00 83.12 C +ATOM 146 CG PRO A 23 -12.283 14.065 2.695 1.00 80.00 C +ATOM 147 CD PRO A 23 -11.283 12.950 2.719 1.00 82.35 C +HETATM 148 N HYP A 24 -12.198 14.437 6.969 1.00 90.65 N +HETATM 149 CA HYP A 24 -12.982 13.972 8.080 1.00 84.64 C +HETATM 150 C HYP A 24 -13.510 12.605 8.003 1.00 89.17 C +HETATM 151 O HYP A 24 -14.696 12.407 7.741 1.00 86.60 O +HETATM 152 CB HYP A 24 -13.488 15.047 8.838 1.00 85.90 C +HETATM 153 CG HYP A 24 -12.723 16.258 8.305 1.00 85.55 C +HETATM 154 CD HYP A 24 -12.150 15.831 6.944 1.00 89.30 C +HETATM 155 OD1 HYP A 24 -11.610 16.568 9.148 1.00 85.75 O +HETATM 156 OXT HYP A 24 -12.810 11.655 8.548 1.00 85.02 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_419.txt b/protein_pdb_419.txt new file mode 100644 index 0000000000000000000000000000000000000000..ae7098a81f35e7c73ddea64722dd63be2c921857 --- /dev/null +++ b/protein_pdb_419.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 8.884 -0.446 -12.439 1.00 88.74 N +ATOM 2 CA GLY A 1 8.639 0.823 -11.822 1.00 89.01 C +ATOM 3 C GLY A 1 8.809 0.750 -10.323 1.00 89.10 C +ATOM 4 O GLY A 1 9.023 -0.327 -9.767 1.00 86.59 O +ATOM 5 N PRO A 2 8.688 1.832 -9.611 1.00 89.54 N +ATOM 6 CA PRO A 2 8.834 1.864 -8.166 1.00 89.85 C +ATOM 7 C PRO A 2 7.649 1.230 -7.459 1.00 90.03 C +ATOM 8 O PRO A 2 6.596 1.027 -8.049 1.00 88.37 O +ATOM 9 CB PRO A 2 8.925 3.359 -7.869 1.00 86.42 C +ATOM 10 CG PRO A 2 8.142 3.983 -8.965 1.00 83.48 C +ATOM 11 CD PRO A 2 8.420 3.147 -10.181 1.00 85.75 C +HETATM 12 N HYP A 3 7.862 0.916 -6.184 1.00 88.55 N +HETATM 13 CA HYP A 3 6.728 0.391 -5.399 1.00 86.08 C +HETATM 14 C HYP A 3 5.598 1.384 -5.358 1.00 90.58 C +HETATM 15 O HYP A 3 5.838 2.611 -5.453 1.00 91.97 O +HETATM 16 CB HYP A 3 7.385 0.255 -3.975 1.00 87.86 C +HETATM 17 CG HYP A 3 8.831 -0.021 -4.278 1.00 87.00 C +HETATM 18 CD HYP A 3 9.115 0.902 -5.498 1.00 89.55 C +HETATM 19 OD1 HYP A 3 8.952 -1.359 -4.666 1.00 87.45 O +ATOM 20 N GLY A 4 4.408 0.835 -5.325 1.00 91.71 N +ATOM 21 CA GLY A 4 3.244 1.666 -5.250 1.00 91.37 C +ATOM 22 C GLY A 4 3.178 2.403 -3.925 1.00 92.10 C +ATOM 23 O GLY A 4 3.946 2.129 -3.004 1.00 92.15 O +ATOM 24 N PRO A 5 2.260 3.347 -3.816 1.00 89.44 N +ATOM 25 CA PRO A 5 2.116 4.100 -2.576 1.00 89.09 C +ATOM 26 C PRO A 5 1.523 3.233 -1.475 1.00 88.90 C +ATOM 27 O PRO A 5 0.934 2.193 -1.736 1.00 87.61 O +ATOM 28 CB PRO A 5 1.174 5.230 -2.964 1.00 86.55 C +ATOM 29 CG PRO A 5 0.351 4.648 -4.056 1.00 84.96 C +ATOM 30 CD PRO A 5 1.286 3.766 -4.822 1.00 87.35 C +HETATM 31 N HYP A 6 1.717 3.693 -0.243 1.00 90.16 N +HETATM 32 CA HYP A 6 1.087 2.996 0.870 1.00 92.75 C +HETATM 33 C HYP A 6 -0.402 2.926 0.739 1.00 90.85 C +HETATM 34 O HYP A 6 -1.031 3.869 0.181 1.00 90.96 O +HETATM 35 CB HYP A 6 1.474 3.930 2.057 1.00 87.95 C +HETATM 36 CG HYP A 6 2.755 4.544 1.615 1.00 87.09 C +HETATM 37 CD HYP A 6 2.517 4.797 0.146 1.00 90.18 C +HETATM 38 OD1 HYP A 6 3.795 3.611 1.773 1.00 88.56 O +ATOM 39 N GLY A 7 -0.946 1.828 1.152 1.00 92.33 N +ATOM 40 CA GLY A 7 -2.372 1.667 1.112 1.00 91.25 C +ATOM 41 C GLY A 7 -3.053 2.614 2.084 1.00 91.74 C +ATOM 42 O GLY A 7 -2.404 3.285 2.883 1.00 91.69 O +ATOM 43 N PRO A 8 -4.365 2.670 2.017 1.00 92.10 N +ATOM 44 CA PRO A 8 -5.101 3.541 2.924 1.00 91.75 C +ATOM 45 C PRO A 8 -5.101 2.982 4.340 1.00 91.62 C +ATOM 46 O PRO A 8 -4.860 1.802 4.559 1.00 90.55 O +ATOM 47 CB PRO A 8 -6.505 3.544 2.340 1.00 89.58 C +ATOM 48 CG PRO A 8 -6.620 2.217 1.695 1.00 88.48 C +ATOM 49 CD PRO A 8 -5.253 1.933 1.125 1.00 90.33 C +HETATM 50 N HYP A 9 -5.371 3.863 5.306 1.00 88.89 N +HETATM 51 CA HYP A 9 -5.504 3.423 6.643 1.00 90.35 C +HETATM 52 C HYP A 9 -6.655 2.464 6.800 1.00 89.18 C +HETATM 53 O HYP A 9 -7.631 2.544 6.048 1.00 89.87 O +HETATM 54 CB HYP A 9 -5.859 4.744 7.392 1.00 84.11 C +HETATM 55 CG HYP A 9 -5.238 5.802 6.591 1.00 84.49 C +HETATM 56 CD HYP A 9 -5.427 5.339 5.194 1.00 89.05 C +HETATM 57 OD1 HYP A 9 -3.862 5.861 6.883 1.00 84.04 O +ATOM 58 N GLY A 10 -6.562 1.547 7.702 1.00 92.25 N +ATOM 59 CA GLY A 10 -7.704 0.742 8.063 1.00 89.29 C +ATOM 60 C GLY A 10 -8.731 1.635 8.734 1.00 90.54 C +ATOM 61 O GLY A 10 -8.615 2.859 8.719 1.00 89.45 O +ATOM 62 N GLN A 11 -9.730 1.032 9.347 1.00 91.72 N +ATOM 63 CA GLN A 11 -10.733 1.858 10.006 1.00 92.52 C +ATOM 64 C GLN A 11 -10.091 2.863 10.962 1.00 91.98 C +ATOM 65 O GLN A 11 -10.446 4.036 10.960 1.00 89.47 O +ATOM 66 CB GLN A 11 -11.741 0.985 10.743 1.00 90.37 C +ATOM 67 CG GLN A 11 -12.654 0.233 9.799 1.00 86.01 C +ATOM 68 CD GLN A 11 -13.793 -0.463 10.517 1.00 81.54 C +ATOM 69 OE1 GLN A 11 -13.778 -0.587 11.738 1.00 78.36 O +ATOM 70 NE2 GLN A 11 -14.776 -0.916 9.774 1.00 75.92 N +ATOM 71 N LEU A 12 -9.146 2.387 11.749 1.00 92.28 N +ATOM 72 CA LEU A 12 -8.368 3.244 12.641 1.00 93.23 C +ATOM 73 C LEU A 12 -6.921 2.769 12.680 1.00 92.92 C +ATOM 74 O LEU A 12 -6.234 2.896 13.690 1.00 89.35 O +ATOM 75 CB LEU A 12 -8.960 3.245 14.057 1.00 91.71 C +ATOM 76 CG LEU A 12 -10.313 3.937 14.230 1.00 86.28 C +ATOM 77 CD1 LEU A 12 -10.837 3.715 15.635 1.00 84.05 C +ATOM 78 CD2 LEU A 12 -10.199 5.435 13.964 1.00 81.03 C +ATOM 79 N GLY A 13 -6.458 2.211 11.570 1.00 93.87 N +ATOM 80 CA GLY A 13 -5.152 1.586 11.523 1.00 92.98 C +ATOM 81 C GLY A 13 -4.160 2.322 10.658 1.00 93.33 C +ATOM 82 O GLY A 13 -4.475 3.334 10.038 1.00 93.11 O +ATOM 83 N PRO A 14 -2.941 1.824 10.634 1.00 92.90 N +ATOM 84 CA PRO A 14 -1.888 2.445 9.850 1.00 92.56 C +ATOM 85 C PRO A 14 -2.105 2.226 8.365 1.00 92.51 C +ATOM 86 O PRO A 14 -2.901 1.393 7.953 1.00 91.52 O +ATOM 87 CB PRO A 14 -0.628 1.731 10.320 1.00 90.93 C +ATOM 88 CG PRO A 14 -1.118 0.373 10.697 1.00 90.90 C +ATOM 89 CD PRO A 14 -2.477 0.608 11.302 1.00 91.51 C +HETATM 90 N HYP A 15 -1.364 3.020 7.610 1.00 91.67 N +HETATM 91 CA HYP A 15 -1.391 2.785 6.174 1.00 92.77 C +HETATM 92 C HYP A 15 -0.979 1.411 5.801 1.00 94.08 C +HETATM 93 O HYP A 15 -0.171 0.789 6.531 1.00 92.56 O +HETATM 94 CB HYP A 15 -0.333 3.845 5.705 1.00 90.15 C +HETATM 95 CG HYP A 15 -0.347 4.907 6.766 1.00 88.68 C +HETATM 96 CD HYP A 15 -0.558 4.122 8.043 1.00 91.05 C +HETATM 97 OD1 HYP A 15 -1.431 5.777 6.555 1.00 89.36 O +ATOM 98 N GLY A 16 -1.528 0.904 4.731 1.00 94.44 N +ATOM 99 CA GLY A 16 -1.159 -0.393 4.247 1.00 93.67 C +ATOM 100 C GLY A 16 0.252 -0.388 3.697 1.00 94.01 C +ATOM 101 O GLY A 16 0.889 0.663 3.583 1.00 93.78 O +ATOM 102 N PRO A 17 0.759 -1.576 3.348 1.00 93.63 N +ATOM 103 CA PRO A 17 2.103 -1.664 2.808 1.00 93.15 C +ATOM 104 C PRO A 17 2.174 -1.070 1.410 1.00 93.62 C +ATOM 105 O PRO A 17 1.163 -0.919 0.732 1.00 92.53 O +ATOM 106 CB PRO A 17 2.379 -3.164 2.795 1.00 91.58 C +ATOM 107 CG PRO A 17 1.028 -3.766 2.640 1.00 90.90 C +ATOM 108 CD PRO A 17 0.105 -2.879 3.420 1.00 92.47 C +HETATM 109 N HYP A 18 3.386 -0.729 0.998 1.00 90.27 N +HETATM 110 CA HYP A 18 3.581 -0.288 -0.350 1.00 92.65 C +HETATM 111 C HYP A 18 3.127 -1.297 -1.353 1.00 90.76 C +HETATM 112 O HYP A 18 3.221 -2.527 -1.122 1.00 91.34 O +HETATM 113 CB HYP A 18 5.112 -0.121 -0.418 1.00 88.16 C +HETATM 114 CG HYP A 18 5.520 0.158 1.008 1.00 87.00 C +HETATM 115 CD HYP A 18 4.584 -0.729 1.793 1.00 90.61 C +HETATM 116 OD1 HYP A 18 5.247 1.527 1.316 1.00 89.34 O +ATOM 117 N GLY A 19 2.640 -0.832 -2.469 1.00 90.33 N +ATOM 118 CA GLY A 19 2.241 -1.695 -3.540 1.00 89.88 C +ATOM 119 C GLY A 19 3.447 -2.334 -4.206 1.00 89.70 C +ATOM 120 O GLY A 19 4.589 -1.980 -3.929 1.00 90.33 O +ATOM 121 N PRO A 20 3.193 -3.289 -5.083 1.00 84.63 N +ATOM 122 CA PRO A 20 4.280 -3.955 -5.772 1.00 84.06 C +ATOM 123 C PRO A 20 4.926 -3.039 -6.797 1.00 83.81 C +ATOM 124 O PRO A 20 4.360 -2.023 -7.189 1.00 84.78 O +ATOM 125 CB PRO A 20 3.586 -5.143 -6.446 1.00 81.67 C +ATOM 126 CG PRO A 20 2.204 -4.646 -6.680 1.00 79.54 C +ATOM 127 CD PRO A 20 1.883 -3.777 -5.498 1.00 80.88 C +HETATM 128 N HYP A 21 6.144 -3.404 -7.202 1.00 87.35 N +HETATM 129 CA HYP A 21 6.781 -2.674 -8.263 1.00 86.16 C +HETATM 130 C HYP A 21 5.961 -2.583 -9.535 1.00 87.57 C +HETATM 131 O HYP A 21 5.218 -3.523 -9.831 1.00 91.60 O +HETATM 132 CB HYP A 21 8.068 -3.454 -8.508 1.00 85.26 C +HETATM 133 CG HYP A 21 8.365 -4.106 -7.184 1.00 80.81 C +HETATM 134 CD HYP A 21 7.001 -4.462 -6.655 1.00 87.06 C +HETATM 135 OD1 HYP A 21 8.927 -3.128 -6.305 1.00 85.28 O +ATOM 136 N GLY A 22 6.002 -1.450 -10.180 1.00 87.60 N +ATOM 137 CA GLY A 22 5.298 -1.264 -11.416 1.00 84.09 C +ATOM 138 C GLY A 22 5.929 -2.088 -12.524 1.00 83.92 C +ATOM 139 O GLY A 22 6.919 -2.792 -12.308 1.00 83.29 O +ATOM 140 N PRO A 23 5.381 -1.998 -13.719 1.00 89.51 N +ATOM 141 CA PRO A 23 5.935 -2.747 -14.840 1.00 89.19 C +ATOM 142 C PRO A 23 7.319 -2.242 -15.197 1.00 88.22 C +ATOM 143 O PRO A 23 7.675 -1.106 -14.901 1.00 84.99 O +ATOM 144 CB PRO A 23 4.938 -2.510 -15.961 1.00 85.29 C +ATOM 145 CG PRO A 23 4.329 -1.197 -15.621 1.00 82.99 C +ATOM 146 CD PRO A 23 4.258 -1.166 -14.120 1.00 86.36 C +HETATM 147 N HYP A 24 8.094 -3.005 -15.765 1.00 90.16 N +HETATM 148 CA HYP A 24 9.469 -2.604 -16.104 1.00 84.63 C +HETATM 149 C HYP A 24 9.705 -1.167 -15.967 1.00 88.19 C +HETATM 150 O HYP A 24 9.649 -0.401 -16.835 1.00 88.23 O +HETATM 151 CB HYP A 24 9.822 -3.298 -17.322 1.00 85.96 C +HETATM 152 CG HYP A 24 8.853 -4.449 -17.431 1.00 83.91 C +HETATM 153 CD HYP A 24 7.640 -4.058 -16.598 1.00 88.85 C +HETATM 154 OD1 HYP A 24 9.394 -5.622 -16.839 1.00 83.09 O +HETATM 155 OXT HYP A 24 10.185 -0.737 -14.864 1.00 85.91 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_42.txt b/protein_pdb_42.txt new file mode 100644 index 0000000000000000000000000000000000000000..9d9e68ad8f01a264c70b9adb99207cd3114ca400 --- /dev/null +++ b/protein_pdb_42.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 30.020 -10.787 13.953 1.00 82.24 N +ATOM 2 CA GLY A 1 30.082 -10.139 12.643 1.00 86.21 C +ATOM 3 C GLY A 1 29.261 -8.873 12.617 1.00 86.20 C +ATOM 4 O GLY A 1 28.508 -8.599 13.549 1.00 83.76 O +ATOM 5 N PRO A 2 29.382 -8.083 11.573 1.00 87.24 N +ATOM 6 CA PRO A 2 28.623 -6.843 11.469 1.00 90.05 C +ATOM 7 C PRO A 2 27.141 -7.120 11.271 1.00 90.23 C +ATOM 8 O PRO A 2 26.752 -8.199 10.839 1.00 90.32 O +ATOM 9 CB PRO A 2 29.229 -6.145 10.248 1.00 88.75 C +ATOM 10 CG PRO A 2 29.708 -7.274 9.403 1.00 84.71 C +ATOM 11 CD PRO A 2 30.218 -8.303 10.386 1.00 85.73 C +HETATM 12 N HYP A 3 26.374 -6.180 11.629 1.00 83.85 N +HETATM 13 CA HYP A 3 24.915 -6.246 11.371 1.00 81.98 C +HETATM 14 C HYP A 3 24.613 -6.468 9.909 1.00 83.18 C +HETATM 15 O HYP A 3 25.322 -5.933 9.005 1.00 89.34 O +HETATM 16 CB HYP A 3 24.424 -4.877 11.856 1.00 83.94 C +HETATM 17 CG HYP A 3 25.428 -4.432 12.886 1.00 78.74 C +HETATM 18 CD HYP A 3 26.772 -4.931 12.286 1.00 82.71 C +HETATM 19 OD1 HYP A 3 25.212 -5.066 14.109 1.00 89.37 O +ATOM 20 N GLY A 4 23.577 -7.288 9.648 1.00 91.21 N +ATOM 21 CA GLY A 4 23.152 -7.513 8.290 1.00 89.97 C +ATOM 22 C GLY A 4 22.535 -6.252 7.706 1.00 89.90 C +ATOM 23 O GLY A 4 22.276 -5.282 8.422 1.00 90.55 O +ATOM 24 N PRO A 5 22.294 -6.257 6.401 1.00 93.14 N +ATOM 25 CA PRO A 5 21.693 -5.095 5.764 1.00 92.99 C +ATOM 26 C PRO A 5 20.251 -4.906 6.204 1.00 93.20 C +ATOM 27 O PRO A 5 19.610 -5.843 6.672 1.00 93.03 O +ATOM 28 CB PRO A 5 21.796 -5.409 4.269 1.00 91.38 C +ATOM 29 CG PRO A 5 21.749 -6.903 4.237 1.00 88.87 C +ATOM 30 CD PRO A 5 22.517 -7.343 5.455 1.00 90.71 C +HETATM 31 N HYP A 6 19.777 -3.704 6.062 1.00 87.16 N +HETATM 32 CA HYP A 6 18.348 -3.443 6.320 1.00 92.35 C +HETATM 33 C HYP A 6 17.488 -4.315 5.463 1.00 90.15 C +HETATM 34 O HYP A 6 17.819 -4.608 4.297 1.00 91.10 O +HETATM 35 CB HYP A 6 18.223 -1.944 5.960 1.00 88.00 C +HETATM 36 CG HYP A 6 19.600 -1.359 6.211 1.00 86.07 C +HETATM 37 CD HYP A 6 20.504 -2.487 5.725 1.00 87.16 C +HETATM 38 OD1 HYP A 6 19.792 -1.138 7.594 1.00 89.80 O +ATOM 39 N GLY A 7 16.355 -4.762 6.060 1.00 94.03 N +ATOM 40 CA GLY A 7 15.410 -5.570 5.343 1.00 92.85 C +ATOM 41 C GLY A 7 14.737 -4.774 4.237 1.00 93.04 C +ATOM 42 O GLY A 7 14.888 -3.551 4.158 1.00 93.02 O +ATOM 43 N PRO A 8 13.983 -5.459 3.388 1.00 93.20 N +ATOM 44 CA PRO A 8 13.293 -4.770 2.306 1.00 92.95 C +ATOM 45 C PRO A 8 12.161 -3.905 2.841 1.00 93.22 C +ATOM 46 O PRO A 8 11.692 -4.105 3.956 1.00 91.97 O +ATOM 47 CB PRO A 8 12.768 -5.904 1.433 1.00 91.38 C +ATOM 48 CG PRO A 8 12.570 -7.019 2.404 1.00 90.70 C +ATOM 49 CD PRO A 8 13.710 -6.887 3.391 1.00 92.70 C +HETATM 50 N HYP A 9 11.727 -2.941 2.075 1.00 87.99 N +HETATM 51 CA HYP A 9 10.594 -2.141 2.413 1.00 91.55 C +HETATM 52 C HYP A 9 9.371 -2.978 2.621 1.00 90.38 C +HETATM 53 O HYP A 9 9.176 -4.016 1.971 1.00 91.65 O +HETATM 54 CB HYP A 9 10.469 -1.227 1.125 1.00 88.42 C +HETATM 55 CG HYP A 9 11.889 -1.118 0.601 1.00 85.89 C +HETATM 56 CD HYP A 9 12.422 -2.517 0.850 1.00 88.82 C +HETATM 57 OD1 HYP A 9 12.637 -0.174 1.344 1.00 88.20 O +ATOM 58 N GLY A 10 8.518 -2.537 3.568 1.00 91.50 N +ATOM 59 CA GLY A 10 7.286 -3.229 3.837 1.00 90.29 C +ATOM 60 C GLY A 10 6.359 -3.197 2.640 1.00 90.04 C +ATOM 61 O GLY A 10 6.589 -2.484 1.656 1.00 88.28 O +ATOM 62 N LYS A 11 5.292 -3.974 2.735 1.00 90.17 N +ATOM 63 CA LYS A 11 4.295 -4.016 1.663 1.00 90.56 C +ATOM 64 C LYS A 11 3.626 -2.663 1.507 1.00 90.28 C +ATOM 65 O LYS A 11 3.588 -1.861 2.432 1.00 89.90 O +ATOM 66 CB LYS A 11 3.245 -5.071 1.960 1.00 87.40 C +ATOM 67 CG LYS A 11 3.749 -6.489 1.810 1.00 82.05 C +ATOM 68 CD LYS A 11 2.613 -7.480 1.895 1.00 81.23 C +ATOM 69 CE LYS A 11 3.062 -8.896 1.576 1.00 77.34 C +ATOM 70 NZ LYS A 11 1.921 -9.819 1.518 1.00 73.16 N +HETATM 71 N HYP A 12 3.057 -2.348 0.343 1.00 86.48 N +HETATM 72 CA HYP A 12 2.291 -1.170 0.130 1.00 88.73 C +HETATM 73 C HYP A 12 1.168 -1.055 1.138 1.00 89.92 C +HETATM 74 O HYP A 12 0.731 -2.061 1.734 1.00 90.49 O +HETATM 75 CB HYP A 12 1.773 -1.425 -1.318 1.00 86.85 C +HETATM 76 CG HYP A 12 2.851 -2.192 -1.953 1.00 82.91 C +HETATM 77 CD HYP A 12 3.249 -3.124 -0.880 1.00 87.20 C +HETATM 78 OD1 HYP A 12 3.918 -1.361 -2.320 1.00 87.13 O +ATOM 79 N GLY A 13 0.718 0.156 1.312 1.00 92.81 N +ATOM 80 CA GLY A 13 -0.389 0.388 2.197 1.00 91.78 C +ATOM 81 C GLY A 13 -1.661 -0.237 1.662 1.00 91.53 C +ATOM 82 O GLY A 13 -1.691 -0.769 0.550 1.00 90.85 O +ATOM 83 N PRO A 14 -2.740 -0.185 2.459 1.00 93.10 N +ATOM 84 CA PRO A 14 -4.002 -0.771 2.033 1.00 93.46 C +ATOM 85 C PRO A 14 -4.614 0.004 0.865 1.00 93.41 C +ATOM 86 O PRO A 14 -4.309 1.166 0.653 1.00 91.96 O +ATOM 87 CB PRO A 14 -4.873 -0.671 3.276 1.00 91.74 C +ATOM 88 CG PRO A 14 -4.321 0.496 4.008 1.00 90.19 C +ATOM 89 CD PRO A 14 -2.838 0.428 3.779 1.00 91.54 C +HETATM 90 N HYP A 15 -5.499 -0.637 0.103 1.00 87.77 N +HETATM 91 CA HYP A 15 -6.191 -0.028 -0.968 1.00 91.27 C +HETATM 92 C HYP A 15 -7.048 1.173 -0.477 1.00 90.78 C +HETATM 93 O HYP A 15 -7.507 1.165 0.675 1.00 91.32 O +HETATM 94 CB HYP A 15 -7.143 -1.172 -1.429 1.00 88.36 C +HETATM 95 CG HYP A 15 -6.342 -2.384 -1.153 1.00 84.75 C +HETATM 96 CD HYP A 15 -5.717 -2.042 0.178 1.00 87.53 C +HETATM 97 OD1 HYP A 15 -5.380 -2.592 -2.124 1.00 88.16 O +ATOM 98 N GLY A 16 -7.181 2.111 -1.338 1.00 92.34 N +ATOM 99 CA GLY A 16 -8.020 3.226 -1.012 1.00 91.47 C +ATOM 100 C GLY A 16 -9.474 2.798 -0.923 1.00 92.11 C +ATOM 101 O GLY A 16 -9.824 1.664 -1.258 1.00 92.54 O +ATOM 102 N PRO A 17 -10.343 3.710 -0.482 1.00 91.73 N +ATOM 103 CA PRO A 17 -11.759 3.377 -0.375 1.00 92.45 C +ATOM 104 C PRO A 17 -12.384 3.217 -1.749 1.00 92.82 C +ATOM 105 O PRO A 17 -11.867 3.703 -2.743 1.00 92.20 O +ATOM 106 CB PRO A 17 -12.339 4.576 0.370 1.00 91.25 C +ATOM 107 CG PRO A 17 -11.434 5.694 0.002 1.00 89.97 C +ATOM 108 CD PRO A 17 -10.056 5.078 -0.069 1.00 91.75 C +HETATM 109 N HYP A 18 -13.501 2.531 -1.836 1.00 87.27 N +HETATM 110 CA HYP A 18 -14.251 2.397 -3.043 1.00 91.55 C +HETATM 111 C HYP A 18 -14.680 3.756 -3.598 1.00 88.56 C +HETATM 112 O HYP A 18 -14.910 4.701 -2.838 1.00 92.03 O +HETATM 113 CB HYP A 18 -15.443 1.562 -2.625 1.00 89.25 C +HETATM 114 CG HYP A 18 -14.930 0.738 -1.485 1.00 85.54 C +HETATM 115 CD HYP A 18 -14.014 1.727 -0.781 1.00 88.21 C +HETATM 116 OD1 HYP A 18 -14.169 -0.345 -1.930 1.00 91.44 O +ATOM 117 N GLY A 19 -14.714 3.827 -4.915 1.00 92.63 N +ATOM 118 CA GLY A 19 -15.154 5.029 -5.562 1.00 91.58 C +ATOM 119 C GLY A 19 -16.623 5.294 -5.255 1.00 91.80 C +ATOM 120 O GLY A 19 -17.318 4.450 -4.689 1.00 91.77 O +ATOM 121 N PRO A 20 -17.110 6.457 -5.652 1.00 90.63 N +ATOM 122 CA PRO A 20 -18.504 6.791 -5.403 1.00 90.56 C +ATOM 123 C PRO A 20 -19.430 5.968 -6.281 1.00 90.71 C +ATOM 124 O PRO A 20 -19.012 5.405 -7.292 1.00 89.90 O +ATOM 125 CB PRO A 20 -18.573 8.277 -5.748 1.00 88.53 C +ATOM 126 CG PRO A 20 -17.508 8.446 -6.777 1.00 85.90 C +ATOM 127 CD PRO A 20 -16.397 7.524 -6.343 1.00 88.31 C +HETATM 128 N HYP A 21 -20.694 5.848 -5.923 1.00 91.55 N +HETATM 129 CA HYP A 21 -21.701 5.194 -6.712 1.00 91.76 C +HETATM 130 C HYP A 21 -21.818 5.798 -8.111 1.00 92.47 C +HETATM 131 O HYP A 21 -21.607 7.012 -8.265 1.00 91.76 O +HETATM 132 CB HYP A 21 -22.967 5.395 -5.917 1.00 91.28 C +HETATM 133 CG HYP A 21 -22.497 5.495 -4.493 1.00 88.90 C +HETATM 134 CD HYP A 21 -21.188 6.251 -4.644 1.00 90.57 C +HETATM 135 OD1 HYP A 21 -22.217 4.232 -3.953 1.00 90.34 O +ATOM 136 N GLY A 22 -22.109 4.977 -9.098 1.00 90.80 N +ATOM 137 CA GLY A 22 -22.300 5.439 -10.441 1.00 89.59 C +ATOM 138 C GLY A 22 -23.496 6.376 -10.533 1.00 89.72 C +ATOM 139 O GLY A 22 -24.240 6.548 -9.562 1.00 89.80 O +ATOM 140 N PRO A 23 -23.720 6.961 -11.711 1.00 87.21 N +ATOM 141 CA PRO A 23 -24.840 7.877 -11.874 1.00 87.69 C +ATOM 142 C PRO A 23 -26.161 7.145 -11.802 1.00 87.62 C +ATOM 143 O PRO A 23 -26.235 5.943 -12.049 1.00 85.14 O +ATOM 144 CB PRO A 23 -24.605 8.492 -13.254 1.00 84.38 C +ATOM 145 CG PRO A 23 -23.856 7.433 -13.978 1.00 81.82 C +ATOM 146 CD PRO A 23 -22.964 6.796 -12.945 1.00 84.02 C +HETATM 147 N HYP A 24 -27.212 7.843 -11.517 1.00 86.86 N +HETATM 148 CA HYP A 24 -28.484 7.197 -11.500 1.00 90.13 C +HETATM 149 C HYP A 24 -28.771 6.514 -12.790 1.00 86.99 C +HETATM 150 O HYP A 24 -28.210 6.972 -13.794 1.00 88.04 O +HETATM 151 CB HYP A 24 -29.452 8.396 -11.231 1.00 88.49 C +HETATM 152 CG HYP A 24 -28.632 9.452 -10.580 1.00 85.02 C +HETATM 153 CD HYP A 24 -27.241 9.254 -11.206 1.00 86.72 C +HETATM 154 OD1 HYP A 24 -28.518 9.188 -9.196 1.00 86.22 O +HETATM 155 OXT HYP A 24 -29.578 5.566 -12.742 1.00 82.95 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_420.txt b/protein_pdb_420.txt new file mode 100644 index 0000000000000000000000000000000000000000..69e8ff1f326a3e0b1246ca7482e70642d7b197e5 --- /dev/null +++ b/protein_pdb_420.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 4.601 -3.209 -14.738 1.00 92.23 N +ATOM 2 CA GLY A 1 4.361 -1.911 -14.179 1.00 93.44 C +ATOM 3 C GLY A 1 5.094 -1.691 -12.874 1.00 94.24 C +ATOM 4 O GLY A 1 5.559 -2.633 -12.243 1.00 92.52 O +ATOM 5 N PRO A 2 5.174 -0.526 -12.497 1.00 93.13 N +ATOM 6 CA PRO A 2 5.838 -0.195 -11.248 1.00 93.78 C +ATOM 7 C PRO A 2 5.001 -0.596 -10.042 1.00 93.93 C +ATOM 8 O PRO A 2 3.815 -0.889 -10.166 1.00 92.43 O +ATOM 9 CB PRO A 2 5.994 1.322 -11.332 1.00 91.04 C +ATOM 10 CG PRO A 2 4.828 1.740 -12.154 1.00 87.24 C +ATOM 11 CD PRO A 2 4.681 0.657 -13.191 1.00 90.50 C +HETATM 12 N HYP A 3 5.647 -0.615 -8.901 1.00 95.06 N +HETATM 13 CA HYP A 3 4.916 -0.926 -7.680 1.00 91.79 C +HETATM 14 C HYP A 3 3.845 0.099 -7.414 1.00 93.28 C +HETATM 15 O HYP A 3 3.990 1.278 -7.798 1.00 94.79 O +HETATM 16 CB HYP A 3 6.030 -0.804 -6.590 1.00 91.55 C +HETATM 17 CG HYP A 3 7.297 -1.125 -7.334 1.00 88.83 C +HETATM 18 CD HYP A 3 7.044 -0.475 -8.727 1.00 92.70 C +HETATM 19 OD1 HYP A 3 7.392 -2.503 -7.484 1.00 91.04 O +ATOM 20 N GLY A 4 2.765 -0.385 -6.835 1.00 94.02 N +ATOM 21 CA GLY A 4 1.673 0.489 -6.509 1.00 93.48 C +ATOM 22 C GLY A 4 2.056 1.453 -5.399 1.00 93.92 C +ATOM 23 O GLY A 4 3.110 1.318 -4.774 1.00 94.28 O +ATOM 24 N PRO A 5 1.206 2.439 -5.137 1.00 94.31 N +ATOM 25 CA PRO A 5 1.484 3.412 -4.088 1.00 94.36 C +ATOM 26 C PRO A 5 1.329 2.799 -2.709 1.00 94.11 C +ATOM 27 O PRO A 5 0.734 1.736 -2.547 1.00 92.93 O +ATOM 28 CB PRO A 5 0.445 4.496 -4.340 1.00 92.54 C +ATOM 29 CG PRO A 5 -0.699 3.753 -4.924 1.00 90.63 C +ATOM 30 CD PRO A 5 -0.065 2.703 -5.802 1.00 93.36 C +HETATM 31 N HYP A 6 1.895 3.478 -1.714 1.00 94.36 N +HETATM 32 CA HYP A 6 1.720 3.044 -0.357 1.00 94.39 C +HETATM 33 C HYP A 6 0.273 3.006 0.048 1.00 94.07 C +HETATM 34 O HYP A 6 -0.548 3.819 -0.446 1.00 93.53 O +HETATM 35 CB HYP A 6 2.445 4.177 0.439 1.00 91.20 C +HETATM 36 CG HYP A 6 3.461 4.705 -0.536 1.00 90.18 C +HETATM 37 CD HYP A 6 2.704 4.649 -1.853 1.00 92.84 C +HETATM 38 OD1 HYP A 6 4.550 3.821 -0.581 1.00 89.63 O +ATOM 39 N GLY A 7 -0.061 2.037 0.858 1.00 94.32 N +ATOM 40 CA GLY A 7 -1.409 1.913 1.329 1.00 93.59 C +ATOM 41 C GLY A 7 -1.779 3.077 2.224 1.00 94.34 C +ATOM 42 O GLY A 7 -0.935 3.894 2.594 1.00 94.28 O +ATOM 43 N PRO A 8 -3.043 3.178 2.585 1.00 95.20 N +ATOM 44 CA PRO A 8 -3.484 4.256 3.450 1.00 95.19 C +ATOM 45 C PRO A 8 -3.010 4.043 4.878 1.00 95.21 C +ATOM 46 O PRO A 8 -2.636 2.946 5.269 1.00 93.66 O +ATOM 47 CB PRO A 8 -5.008 4.185 3.355 1.00 93.27 C +ATOM 48 CG PRO A 8 -5.264 2.743 3.116 1.00 91.77 C +ATOM 49 CD PRO A 8 -4.141 2.292 2.208 1.00 93.90 C +HETATM 50 N HYP A 9 -3.031 5.113 5.658 1.00 92.75 N +HETATM 51 CA HYP A 9 -2.705 5.009 7.035 1.00 93.35 C +HETATM 52 C HYP A 9 -3.680 4.124 7.752 1.00 93.55 C +HETATM 53 O HYP A 9 -4.857 4.078 7.397 1.00 93.14 O +HETATM 54 CB HYP A 9 -2.870 6.462 7.560 1.00 89.90 C +HETATM 55 CG HYP A 9 -2.683 7.313 6.367 1.00 89.42 C +HETATM 56 CD HYP A 9 -3.268 6.514 5.251 1.00 92.36 C +HETATM 57 OD1 HYP A 9 -1.313 7.488 6.138 1.00 88.34 O +ATOM 58 N GLY A 10 -3.244 3.372 8.727 1.00 93.36 N +ATOM 59 CA GLY A 10 -4.153 2.643 9.584 1.00 91.37 C +ATOM 60 C GLY A 10 -4.927 3.649 10.418 1.00 91.80 C +ATOM 61 O GLY A 10 -4.791 4.858 10.260 1.00 90.52 O +ATOM 62 N GLU A 11 -5.741 3.135 11.346 1.00 90.10 N +ATOM 63 CA GLU A 11 -6.533 4.028 12.186 1.00 91.63 C +ATOM 64 C GLU A 11 -5.646 5.110 12.810 1.00 91.25 C +ATOM 65 O GLU A 11 -6.007 6.282 12.820 1.00 87.69 O +ATOM 66 CB GLU A 11 -7.241 3.210 13.260 1.00 88.38 C +ATOM 67 CG GLU A 11 -8.189 4.045 14.104 1.00 80.77 C +ATOM 68 CD GLU A 11 -8.983 3.207 15.098 1.00 75.54 C +ATOM 69 OE1 GLU A 11 -8.900 1.969 15.033 1.00 70.32 O +ATOM 70 OE2 GLU A 11 -9.687 3.805 15.929 1.00 71.78 O +ATOM 71 N TYR A 12 -4.486 4.695 13.295 1.00 92.96 N +ATOM 72 CA TYR A 12 -3.502 5.618 13.862 1.00 93.47 C +ATOM 73 C TYR A 12 -2.085 5.196 13.504 1.00 92.45 C +ATOM 74 O TYR A 12 -1.121 5.615 14.141 1.00 88.95 O +ATOM 75 CB TYR A 12 -3.641 5.680 15.389 1.00 91.99 C +ATOM 76 CG TYR A 12 -4.985 6.179 15.845 1.00 89.34 C +ATOM 77 CD1 TYR A 12 -5.313 7.521 15.735 1.00 88.22 C +ATOM 78 CD2 TYR A 12 -5.937 5.313 16.359 1.00 85.47 C +ATOM 79 CE1 TYR A 12 -6.560 7.991 16.127 1.00 84.43 C +ATOM 80 CE2 TYR A 12 -7.188 5.767 16.747 1.00 85.04 C +ATOM 81 CZ TYR A 12 -7.496 7.104 16.633 1.00 84.85 C +ATOM 82 OH TYR A 12 -8.734 7.567 17.008 1.00 83.07 O +ATOM 83 N GLY A 13 -1.933 4.377 12.487 1.00 94.99 N +ATOM 84 CA GLY A 13 -0.652 3.804 12.135 1.00 94.18 C +ATOM 85 C GLY A 13 -0.066 4.342 10.856 1.00 94.70 C +ATOM 86 O GLY A 13 -0.645 5.206 10.201 1.00 94.19 O +ATOM 87 N PRO A 14 1.107 3.832 10.493 1.00 95.30 N +ATOM 88 CA PRO A 14 1.789 4.276 9.287 1.00 95.17 C +ATOM 89 C PRO A 14 1.086 3.773 8.039 1.00 95.32 C +ATOM 90 O PRO A 14 0.225 2.904 8.100 1.00 93.88 O +ATOM 91 CB PRO A 14 3.176 3.660 9.419 1.00 93.40 C +ATOM 92 CG PRO A 14 2.930 2.411 10.190 1.00 92.09 C +ATOM 93 CD PRO A 14 1.859 2.780 11.178 1.00 93.71 C +HETATM 94 N HYP A 15 1.496 4.346 6.931 1.00 94.95 N +HETATM 95 CA HYP A 15 0.987 3.873 5.665 1.00 94.78 C +HETATM 96 C HYP A 15 1.334 2.445 5.407 1.00 95.29 C +HETATM 97 O HYP A 15 2.362 1.956 5.919 1.00 94.55 O +HETATM 98 CB HYP A 15 1.749 4.806 4.670 1.00 91.67 C +HETATM 99 CG HYP A 15 2.056 6.042 5.477 1.00 90.30 C +HETATM 100 CD HYP A 15 2.373 5.481 6.849 1.00 92.72 C +HETATM 101 OD1 HYP A 15 0.932 6.867 5.554 1.00 90.04 O +ATOM 102 N GLY A 16 0.478 1.764 4.691 1.00 95.84 N +ATOM 103 CA GLY A 16 0.736 0.400 4.342 1.00 95.67 C +ATOM 104 C GLY A 16 1.878 0.297 3.346 1.00 96.04 C +ATOM 105 O GLY A 16 2.368 1.310 2.843 1.00 95.72 O +ATOM 106 N PRO A 17 2.308 -0.931 3.057 1.00 94.13 N +ATOM 107 CA PRO A 17 3.402 -1.129 2.114 1.00 94.27 C +ATOM 108 C PRO A 17 2.960 -0.828 0.695 1.00 94.51 C +ATOM 109 O PRO A 17 1.771 -0.764 0.394 1.00 93.23 O +ATOM 110 CB PRO A 17 3.755 -2.597 2.295 1.00 92.37 C +ATOM 111 CG PRO A 17 2.471 -3.215 2.707 1.00 90.51 C +ATOM 112 CD PRO A 17 1.809 -2.197 3.583 1.00 92.73 C +HETATM 113 N HYP A 18 3.936 -0.635 -0.183 1.00 93.18 N +HETATM 114 CA HYP A 18 3.652 -0.472 -1.563 1.00 91.47 C +HETATM 115 C HYP A 18 2.912 -1.639 -2.145 1.00 94.37 C +HETATM 116 O HYP A 18 3.084 -2.797 -1.689 1.00 93.07 O +HETATM 117 CB HYP A 18 5.051 -0.393 -2.204 1.00 90.00 C +HETATM 118 CG HYP A 18 5.932 0.150 -1.110 1.00 89.10 C +HETATM 119 CD HYP A 18 5.335 -0.527 0.127 1.00 92.69 C +HETATM 120 OD1 HYP A 18 5.741 1.554 -0.996 1.00 88.80 O +ATOM 121 N GLY A 19 2.068 -1.384 -3.093 1.00 90.43 N +ATOM 122 CA GLY A 19 1.351 -2.428 -3.772 1.00 90.18 C +ATOM 123 C GLY A 19 2.291 -3.242 -4.636 1.00 90.94 C +ATOM 124 O GLY A 19 3.449 -2.887 -4.837 1.00 91.92 O +ATOM 125 N PRO A 20 1.804 -4.361 -5.160 1.00 89.21 N +ATOM 126 CA PRO A 20 2.629 -5.207 -6.004 1.00 89.77 C +ATOM 127 C PRO A 20 2.879 -4.560 -7.354 1.00 89.91 C +ATOM 128 O PRO A 20 2.185 -3.636 -7.752 1.00 90.39 O +ATOM 129 CB PRO A 20 1.795 -6.480 -6.137 1.00 87.13 C +ATOM 130 CG PRO A 20 0.399 -5.989 -6.019 1.00 83.20 C +ATOM 131 CD PRO A 20 0.456 -4.888 -4.998 1.00 86.61 C +HETATM 132 N HYP A 21 3.904 -5.058 -8.030 1.00 92.55 N +HETATM 133 CA HYP A 21 4.155 -4.601 -9.357 1.00 89.17 C +HETATM 134 C HYP A 21 2.992 -4.771 -10.290 1.00 92.88 C +HETATM 135 O HYP A 21 2.267 -5.775 -10.165 1.00 93.91 O +HETATM 136 CB HYP A 21 5.354 -5.436 -9.826 1.00 90.03 C +HETATM 137 CG HYP A 21 6.054 -5.867 -8.565 1.00 87.73 C +HETATM 138 CD HYP A 21 4.903 -6.035 -7.575 1.00 91.85 C +HETATM 139 OD1 HYP A 21 6.866 -4.777 -8.105 1.00 87.47 O +ATOM 140 N GLY A 22 2.748 -3.823 -11.144 1.00 90.12 N +ATOM 141 CA GLY A 22 1.700 -3.922 -12.109 1.00 88.16 C +ATOM 142 C GLY A 22 2.092 -4.897 -13.211 1.00 88.53 C +ATOM 143 O GLY A 22 3.216 -5.389 -13.241 1.00 88.48 O +ATOM 144 N PRO A 23 1.181 -5.180 -14.142 1.00 94.22 N +ATOM 145 CA PRO A 23 1.495 -6.094 -15.235 1.00 94.06 C +ATOM 146 C PRO A 23 2.448 -5.434 -16.214 1.00 93.10 C +ATOM 147 O PRO A 23 2.092 -4.479 -16.888 1.00 89.90 O +ATOM 148 CB PRO A 23 0.130 -6.380 -15.857 1.00 91.09 C +ATOM 149 CG PRO A 23 -0.654 -5.148 -15.573 1.00 87.66 C +ATOM 150 CD PRO A 23 -0.181 -4.689 -14.206 1.00 91.89 C +HETATM 151 N HYP A 24 3.637 -5.840 -16.240 1.00 96.07 N +HETATM 152 CA HYP A 24 4.838 -5.112 -16.754 1.00 90.50 C +HETATM 153 C HYP A 24 5.319 -3.991 -16.200 1.00 95.07 C +HETATM 154 O HYP A 24 5.543 -2.859 -16.806 1.00 94.10 O +HETATM 155 CB HYP A 24 5.563 -6.013 -17.642 1.00 90.54 C +HETATM 156 CG HYP A 24 4.643 -7.215 -17.857 1.00 89.75 C +HETATM 157 CD HYP A 24 3.483 -7.072 -16.843 1.00 93.29 C +HETATM 158 OD1 HYP A 24 5.322 -8.408 -17.554 1.00 90.59 O +HETATM 159 OXT HYP A 24 6.251 -4.073 -15.190 1.00 90.48 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_421.txt b/protein_pdb_421.txt new file mode 100644 index 0000000000000000000000000000000000000000..631a3b89421b6572e7b6f7ceaa6e02f4a5fee338 --- /dev/null +++ b/protein_pdb_421.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 7.136 -11.519 -4.781 1.00 86.51 N +ATOM 2 CA GLY A 1 6.333 -10.787 -5.747 1.00 87.74 C +ATOM 3 C GLY A 1 6.556 -9.302 -5.616 1.00 88.73 C +ATOM 4 O GLY A 1 7.316 -8.857 -4.761 1.00 86.15 O +ATOM 5 N PRO A 2 5.892 -8.521 -6.443 1.00 87.91 N +ATOM 6 CA PRO A 2 6.065 -7.076 -6.404 1.00 89.09 C +ATOM 7 C PRO A 2 5.460 -6.459 -5.161 1.00 89.53 C +ATOM 8 O PRO A 2 4.647 -7.060 -4.473 1.00 86.87 O +ATOM 9 CB PRO A 2 5.339 -6.598 -7.668 1.00 86.22 C +ATOM 10 CG PRO A 2 4.334 -7.655 -7.934 1.00 82.19 C +ATOM 11 CD PRO A 2 4.953 -8.940 -7.489 1.00 83.16 C +HETATM 12 N HYP A 3 5.889 -5.302 -4.891 1.00 86.07 N +HETATM 13 CA HYP A 3 5.323 -4.505 -3.788 1.00 85.45 C +HETATM 14 C HYP A 3 3.838 -4.306 -3.957 1.00 90.55 C +HETATM 15 O HYP A 3 3.355 -4.219 -5.119 1.00 93.53 O +HETATM 16 CB HYP A 3 6.077 -3.183 -3.891 1.00 89.33 C +HETATM 17 CG HYP A 3 7.390 -3.531 -4.578 1.00 84.92 C +HETATM 18 CD HYP A 3 6.939 -4.620 -5.588 1.00 88.46 C +HETATM 19 OD1 HYP A 3 8.237 -4.117 -3.629 1.00 87.86 O +ATOM 20 N GLY A 4 3.150 -4.278 -2.858 1.00 91.60 N +ATOM 21 CA GLY A 4 1.738 -4.015 -2.905 1.00 91.05 C +ATOM 22 C GLY A 4 1.453 -2.581 -3.315 1.00 91.34 C +ATOM 23 O GLY A 4 2.358 -1.756 -3.430 1.00 91.52 O +ATOM 24 N PRO A 5 0.184 -2.284 -3.538 1.00 92.90 N +ATOM 25 CA PRO A 5 -0.201 -0.944 -3.952 1.00 92.48 C +ATOM 26 C PRO A 5 -0.097 0.052 -2.808 1.00 92.41 C +ATOM 27 O PRO A 5 -0.020 -0.320 -1.644 1.00 90.56 O +ATOM 28 CB PRO A 5 -1.646 -1.124 -4.400 1.00 91.13 C +ATOM 29 CG PRO A 5 -2.138 -2.251 -3.568 1.00 89.18 C +ATOM 30 CD PRO A 5 -0.967 -3.170 -3.413 1.00 90.84 C +HETATM 31 N HYP A 6 -0.086 1.331 -3.189 1.00 89.99 N +HETATM 32 CA HYP A 6 -0.114 2.372 -2.182 1.00 94.45 C +HETATM 33 C HYP A 6 -1.310 2.259 -1.269 1.00 91.76 C +HETATM 34 O HYP A 6 -2.391 1.798 -1.722 1.00 93.59 O +HETATM 35 CB HYP A 6 -0.185 3.652 -3.056 1.00 88.10 C +HETATM 36 CG HYP A 6 0.422 3.255 -4.402 1.00 87.87 C +HETATM 37 CD HYP A 6 -0.063 1.821 -4.552 1.00 89.73 C +HETATM 38 OD1 HYP A 6 1.823 3.245 -4.283 1.00 89.19 O +ATOM 39 N GLY A 7 -1.127 2.588 -0.038 1.00 90.81 N +ATOM 40 CA GLY A 7 -2.207 2.555 0.906 1.00 89.46 C +ATOM 41 C GLY A 7 -3.284 3.566 0.562 1.00 89.72 C +ATOM 42 O GLY A 7 -3.143 4.366 -0.364 1.00 89.30 O +ATOM 43 N PRO A 8 -4.365 3.523 1.314 1.00 92.32 N +ATOM 44 CA PRO A 8 -5.471 4.423 1.038 1.00 91.76 C +ATOM 45 C PRO A 8 -5.147 5.860 1.396 1.00 91.91 C +ATOM 46 O PRO A 8 -4.300 6.141 2.240 1.00 90.40 O +ATOM 47 CB PRO A 8 -6.599 3.878 1.913 1.00 89.99 C +ATOM 48 CG PRO A 8 -5.888 3.227 3.042 1.00 89.13 C +ATOM 49 CD PRO A 8 -4.621 2.659 2.454 1.00 90.76 C +HETATM 50 N HYP A 9 -5.849 6.765 0.756 1.00 84.87 N +HETATM 51 CA HYP A 9 -5.699 8.137 1.038 1.00 88.69 C +HETATM 52 C HYP A 9 -6.231 8.464 2.438 1.00 87.65 C +HETATM 53 O HYP A 9 -7.228 7.820 2.871 1.00 89.53 O +HETATM 54 CB HYP A 9 -6.689 8.818 0.008 1.00 83.84 C +HETATM 55 CG HYP A 9 -6.879 7.827 -1.071 1.00 83.48 C +HETATM 56 CD HYP A 9 -6.795 6.505 -0.380 1.00 87.38 C +HETATM 57 OD1 HYP A 9 -5.793 7.939 -1.967 1.00 84.05 O +ATOM 58 N GLY A 10 -5.631 9.327 3.129 1.00 87.63 N +ATOM 59 CA GLY A 10 -6.255 9.864 4.309 1.00 84.87 C +ATOM 60 C GLY A 10 -7.418 10.736 3.890 1.00 84.35 C +ATOM 61 O GLY A 10 -7.583 11.063 2.716 1.00 82.33 O +ATOM 62 N THR A 11 -8.233 11.129 4.848 1.00 87.14 N +ATOM 63 CA THR A 11 -9.362 11.983 4.489 1.00 87.46 C +ATOM 64 C THR A 11 -8.884 13.290 3.876 1.00 87.35 C +ATOM 65 O THR A 11 -9.595 13.885 3.066 1.00 83.62 O +ATOM 66 CB THR A 11 -10.271 12.243 5.694 1.00 85.33 C +ATOM 67 OG1 THR A 11 -9.487 12.702 6.789 1.00 80.50 O +ATOM 68 CG2 THR A 11 -11.003 10.981 6.098 1.00 76.72 C +ATOM 69 N LYS A 12 -7.694 13.709 4.239 1.00 88.98 N +ATOM 70 CA LYS A 12 -7.033 14.863 3.619 1.00 90.46 C +ATOM 71 C LYS A 12 -5.527 14.618 3.610 1.00 90.18 C +ATOM 72 O LYS A 12 -4.749 15.433 4.092 1.00 86.28 O +ATOM 73 CB LYS A 12 -7.378 16.161 4.365 1.00 86.61 C +ATOM 74 CG LYS A 12 -8.806 16.632 4.153 1.00 81.81 C +ATOM 75 CD LYS A 12 -9.184 17.799 5.037 1.00 77.30 C +ATOM 76 CE LYS A 12 -8.568 19.098 4.590 1.00 73.77 C +ATOM 77 NZ LYS A 12 -9.032 20.227 5.428 1.00 68.09 N +ATOM 78 N GLY A 13 -5.113 13.482 3.058 1.00 93.76 N +ATOM 79 CA GLY A 13 -3.708 13.131 3.078 1.00 92.91 C +ATOM 80 C GLY A 13 -3.330 12.208 1.943 1.00 93.54 C +ATOM 81 O GLY A 13 -4.190 11.688 1.239 1.00 93.09 O +ATOM 82 N PRO A 14 -2.047 12.020 1.759 1.00 93.63 N +ATOM 83 CA PRO A 14 -1.558 11.192 0.672 1.00 93.07 C +ATOM 84 C PRO A 14 -1.792 9.713 0.919 1.00 93.41 C +ATOM 85 O PRO A 14 -2.062 9.287 2.032 1.00 91.80 O +ATOM 86 CB PRO A 14 -0.061 11.503 0.629 1.00 91.72 C +ATOM 87 CG PRO A 14 0.262 11.835 2.041 1.00 90.81 C +ATOM 88 CD PRO A 14 -0.950 12.557 2.569 1.00 91.65 C +HETATM 89 N HYP A 15 -1.657 9.015 -0.142 1.00 91.17 N +HETATM 90 CA HYP A 15 -1.705 7.544 -0.062 1.00 89.76 C +HETATM 91 C HYP A 15 -0.623 7.026 0.829 1.00 93.48 C +HETATM 92 O HYP A 15 0.463 7.672 0.942 1.00 92.23 O +HETATM 93 CB HYP A 15 -1.528 7.144 -1.531 1.00 88.81 C +HETATM 94 CG HYP A 15 -1.983 8.343 -2.329 1.00 86.99 C +HETATM 95 CD HYP A 15 -1.519 9.512 -1.498 1.00 89.89 C +HETATM 96 OD1 HYP A 15 -3.374 8.365 -2.448 1.00 88.84 O +ATOM 97 N GLY A 16 -0.879 5.929 1.464 1.00 94.33 N +ATOM 98 CA GLY A 16 0.132 5.286 2.255 1.00 93.45 C +ATOM 99 C GLY A 16 1.208 4.677 1.377 1.00 93.84 C +ATOM 100 O GLY A 16 1.116 4.702 0.149 1.00 93.44 O +ATOM 101 N PRO A 17 2.239 4.140 2.015 1.00 93.51 N +ATOM 102 CA PRO A 17 3.326 3.539 1.263 1.00 92.85 C +ATOM 103 C PRO A 17 2.902 2.234 0.610 1.00 93.33 C +ATOM 104 O PRO A 17 1.910 1.621 0.996 1.00 91.87 O +ATOM 105 CB PRO A 17 4.401 3.313 2.316 1.00 91.34 C +ATOM 106 CG PRO A 17 3.634 3.150 3.576 1.00 90.13 C +ATOM 107 CD PRO A 17 2.445 4.051 3.454 1.00 91.16 C +HETATM 108 N HYP A 18 3.669 1.831 -0.396 1.00 88.19 N +HETATM 109 CA HYP A 18 3.453 0.544 -0.994 1.00 87.96 C +HETATM 110 C HYP A 18 3.507 -0.563 0.010 1.00 88.87 C +HETATM 111 O HYP A 18 4.252 -0.455 1.016 1.00 90.41 O +HETATM 112 CB HYP A 18 4.566 0.443 -2.037 1.00 86.80 C +HETATM 113 CG HYP A 18 4.944 1.882 -2.364 1.00 85.17 C +HETATM 114 CD HYP A 18 4.748 2.568 -1.026 1.00 89.83 C +HETATM 115 OD1 HYP A 18 4.003 2.389 -3.301 1.00 87.85 O +ATOM 116 N GLY A 19 2.741 -1.572 -0.210 1.00 91.54 N +ATOM 117 CA GLY A 19 2.781 -2.730 0.635 1.00 91.17 C +ATOM 118 C GLY A 19 4.108 -3.449 0.506 1.00 91.64 C +ATOM 119 O GLY A 19 4.927 -3.139 -0.360 1.00 91.60 O +ATOM 120 N PRO A 20 4.328 -4.416 1.379 1.00 82.80 N +ATOM 121 CA PRO A 20 5.571 -5.173 1.330 1.00 82.97 C +ATOM 122 C PRO A 20 5.623 -6.066 0.105 1.00 82.84 C +ATOM 123 O PRO A 20 4.607 -6.361 -0.513 1.00 83.79 O +ATOM 124 CB PRO A 20 5.527 -5.986 2.617 1.00 80.95 C +ATOM 125 CG PRO A 20 4.076 -6.142 2.896 1.00 77.08 C +ATOM 126 CD PRO A 20 3.437 -4.872 2.434 1.00 76.99 C +HETATM 127 N HYP A 21 6.823 -6.488 -0.216 1.00 83.66 N +HETATM 128 CA HYP A 21 6.993 -7.420 -1.301 1.00 83.39 C +HETATM 129 C HYP A 21 6.215 -8.706 -1.099 1.00 83.75 C +HETATM 130 O HYP A 21 6.064 -9.140 0.056 1.00 92.03 O +HETATM 131 CB HYP A 21 8.489 -7.713 -1.329 1.00 85.23 C +HETATM 132 CG HYP A 21 9.128 -6.504 -0.675 1.00 80.55 C +HETATM 133 CD HYP A 21 8.116 -6.104 0.371 1.00 87.82 C +HETATM 134 OD1 HYP A 21 9.210 -5.437 -1.630 1.00 85.13 O +ATOM 135 N GLY A 22 5.620 -9.195 -2.129 1.00 87.44 N +ATOM 136 CA GLY A 22 4.939 -10.453 -2.052 1.00 84.65 C +ATOM 137 C GLY A 22 5.926 -11.590 -1.859 1.00 84.54 C +ATOM 138 O GLY A 22 7.136 -11.376 -1.797 1.00 84.91 O +ATOM 139 N PRO A 23 5.427 -12.814 -1.772 1.00 89.00 N +ATOM 140 CA PRO A 23 6.317 -13.949 -1.615 1.00 88.85 C +ATOM 141 C PRO A 23 7.198 -14.118 -2.838 1.00 87.70 C +ATOM 142 O PRO A 23 6.846 -13.698 -3.934 1.00 84.78 O +ATOM 143 CB PRO A 23 5.364 -15.128 -1.431 1.00 85.79 C +ATOM 144 CG PRO A 23 4.106 -14.684 -2.076 1.00 82.20 C +ATOM 145 CD PRO A 23 4.033 -13.202 -1.873 1.00 85.33 C +HETATM 146 N HYP A 24 8.274 -14.675 -2.717 1.00 86.97 N +HETATM 147 CA HYP A 24 9.192 -14.741 -3.860 1.00 80.33 C +HETATM 148 C HYP A 24 8.689 -14.291 -5.100 1.00 85.05 C +HETATM 149 O HYP A 24 9.384 -13.563 -5.809 1.00 82.70 O +HETATM 150 CB HYP A 24 10.159 -15.780 -3.565 1.00 82.07 C +HETATM 151 CG HYP A 24 10.042 -16.021 -2.066 1.00 81.24 C +HETATM 152 CD HYP A 24 8.625 -15.610 -1.710 1.00 86.48 C +HETATM 153 OD1 HYP A 24 10.924 -15.162 -1.353 1.00 83.46 O +HETATM 154 OXT HYP A 24 7.595 -14.775 -5.483 1.00 81.63 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_422.txt b/protein_pdb_422.txt new file mode 100644 index 0000000000000000000000000000000000000000..46f0c60bd9a70ea0fb99f3eb3f37a80d96fd4143 --- /dev/null +++ b/protein_pdb_422.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -2.169 -10.961 8.041 1.00 82.34 N +ATOM 2 CA GLY A 1 -1.312 -10.979 6.869 1.00 84.12 C +ATOM 3 C GLY A 1 -0.506 -9.709 6.762 1.00 85.03 C +ATOM 4 O GLY A 1 -0.674 -8.791 7.558 1.00 82.27 O +ATOM 5 N PRO A 2 0.371 -9.629 5.772 1.00 82.11 N +ATOM 6 CA PRO A 2 1.205 -8.447 5.599 1.00 83.76 C +ATOM 7 C PRO A 2 0.408 -7.265 5.076 1.00 83.92 C +ATOM 8 O PRO A 2 -0.705 -7.412 4.593 1.00 80.66 O +ATOM 9 CB PRO A 2 2.251 -8.905 4.581 1.00 80.93 C +ATOM 10 CG PRO A 2 1.552 -9.947 3.791 1.00 77.54 C +ATOM 11 CD PRO A 2 0.633 -10.649 4.753 1.00 76.65 C +HETATM 12 N HYP A 3 1.009 -6.121 5.197 1.00 81.85 N +HETATM 13 CA HYP A 3 0.390 -4.921 4.611 1.00 83.16 C +HETATM 14 C HYP A 3 0.135 -5.079 3.139 1.00 84.49 C +HETATM 15 O HYP A 3 0.904 -5.789 2.436 1.00 86.01 O +HETATM 16 CB HYP A 3 1.458 -3.831 4.892 1.00 84.17 C +HETATM 17 CG HYP A 3 2.192 -4.318 6.142 1.00 77.82 C +HETATM 18 CD HYP A 3 2.238 -5.846 5.911 1.00 82.34 C +HETATM 19 OD1 HYP A 3 1.374 -4.048 7.258 1.00 78.56 O +ATOM 20 N GLY A 4 -0.949 -4.504 2.703 1.00 87.32 N +ATOM 21 CA GLY A 4 -1.264 -4.536 1.300 1.00 87.39 C +ATOM 22 C GLY A 4 -0.271 -3.729 0.481 1.00 87.71 C +ATOM 23 O GLY A 4 0.561 -3.001 1.029 1.00 86.69 O +ATOM 24 N PRO A 5 -0.354 -3.866 -0.822 1.00 85.40 N +ATOM 25 CA PRO A 5 0.568 -3.139 -1.680 1.00 84.89 C +ATOM 26 C PRO A 5 0.252 -1.649 -1.711 1.00 84.50 C +ATOM 27 O PRO A 5 -0.838 -1.219 -1.365 1.00 82.54 O +ATOM 28 CB PRO A 5 0.343 -3.779 -3.045 1.00 83.36 C +ATOM 29 CG PRO A 5 -1.075 -4.236 -3.001 1.00 81.17 C +ATOM 30 CD PRO A 5 -1.310 -4.671 -1.583 1.00 81.17 C +HETATM 31 N HYP A 6 1.254 -0.882 -2.128 1.00 83.95 N +HETATM 32 CA HYP A 6 1.030 0.524 -2.335 1.00 87.18 C +HETATM 33 C HYP A 6 -0.061 0.814 -3.322 1.00 83.38 C +HETATM 34 O HYP A 6 -0.311 0.018 -4.264 1.00 87.59 O +HETATM 35 CB HYP A 6 2.416 0.974 -2.873 1.00 82.20 C +HETATM 36 CG HYP A 6 3.390 -0.042 -2.304 1.00 79.64 C +HETATM 37 CD HYP A 6 2.593 -1.312 -2.375 1.00 84.53 C +HETATM 38 OD1 HYP A 6 3.657 0.283 -0.959 1.00 81.69 O +ATOM 39 N GLY A 7 -0.794 1.844 -3.079 1.00 88.74 N +ATOM 40 CA GLY A 7 -1.832 2.256 -3.987 1.00 87.07 C +ATOM 41 C GLY A 7 -1.259 2.692 -5.318 1.00 86.81 C +ATOM 42 O GLY A 7 -0.045 2.820 -5.490 1.00 85.64 O +ATOM 43 N PRO A 8 -2.134 2.915 -6.267 1.00 87.71 N +ATOM 44 CA PRO A 8 -1.675 3.357 -7.570 1.00 86.89 C +ATOM 45 C PRO A 8 -1.131 4.775 -7.514 1.00 86.21 C +ATOM 46 O PRO A 8 -1.420 5.535 -6.601 1.00 83.27 O +ATOM 47 CB PRO A 8 -2.927 3.269 -8.438 1.00 84.90 C +ATOM 48 CG PRO A 8 -4.042 3.449 -7.477 1.00 85.11 C +ATOM 49 CD PRO A 8 -3.589 2.816 -6.191 1.00 86.26 C +HETATM 50 N HYP A 9 -0.342 5.126 -8.523 1.00 81.78 N +HETATM 51 CA HYP A 9 0.144 6.439 -8.620 1.00 82.77 C +HETATM 52 C HYP A 9 -0.961 7.423 -8.750 1.00 80.99 C +HETATM 53 O HYP A 9 -2.034 7.126 -9.280 1.00 81.35 O +HETATM 54 CB HYP A 9 0.964 6.400 -9.950 1.00 74.23 C +HETATM 55 CG HYP A 9 1.365 4.990 -10.094 1.00 71.58 C +HETATM 56 CD HYP A 9 0.205 4.236 -9.553 1.00 80.35 C +HETATM 57 OD1 HYP A 9 2.493 4.737 -9.268 1.00 74.13 O +ATOM 58 N GLY A 10 -0.780 8.586 -8.190 1.00 84.82 N +ATOM 59 CA GLY A 10 -1.668 9.693 -8.469 1.00 81.46 C +ATOM 60 C GLY A 10 -1.597 10.025 -9.942 1.00 81.50 C +ATOM 61 O GLY A 10 -0.904 9.363 -10.710 1.00 78.79 O +ATOM 62 N SER A 11 -2.291 11.063 -10.314 1.00 80.13 N +ATOM 63 CA SER A 11 -2.298 11.418 -11.731 1.00 81.73 C +ATOM 64 C SER A 11 -0.884 11.543 -12.289 1.00 82.07 C +ATOM 65 O SER A 11 -0.627 11.182 -13.441 1.00 79.86 O +ATOM 66 CB SER A 11 -3.070 12.717 -11.945 1.00 78.31 C +ATOM 67 OG SER A 11 -2.490 13.762 -11.204 1.00 71.64 O +ATOM 68 N SER A 12 0.030 12.041 -11.463 1.00 77.55 N +ATOM 69 CA SER A 12 1.445 12.084 -11.808 1.00 78.32 C +ATOM 70 C SER A 12 2.298 11.967 -10.555 1.00 79.89 C +ATOM 71 O SER A 12 3.429 12.443 -10.525 1.00 73.09 O +ATOM 72 CB SER A 12 1.775 13.380 -12.559 1.00 72.09 C +ATOM 73 OG SER A 12 1.516 14.495 -11.747 1.00 64.92 O +ATOM 74 N GLY A 13 1.771 11.324 -9.528 1.00 86.14 N +ATOM 75 CA GLY A 13 2.401 11.311 -8.225 1.00 84.03 C +ATOM 76 C GLY A 13 2.848 9.933 -7.784 1.00 84.36 C +ATOM 77 O GLY A 13 2.784 8.969 -8.538 1.00 83.34 O +ATOM 78 N PRO A 14 3.330 9.859 -6.563 1.00 87.53 N +ATOM 79 CA PRO A 14 3.853 8.605 -6.032 1.00 87.07 C +ATOM 80 C PRO A 14 2.746 7.615 -5.705 1.00 87.50 C +ATOM 81 O PRO A 14 1.579 7.971 -5.611 1.00 85.11 O +ATOM 82 CB PRO A 14 4.586 9.044 -4.759 1.00 85.78 C +ATOM 83 CG PRO A 14 3.844 10.246 -4.314 1.00 85.85 C +ATOM 84 CD PRO A 14 3.411 10.946 -5.576 1.00 85.95 C +HETATM 85 N HYP A 15 3.156 6.395 -5.531 1.00 84.69 N +HETATM 86 CA HYP A 15 2.241 5.375 -5.078 1.00 83.15 C +HETATM 87 C HYP A 15 1.598 5.734 -3.779 1.00 87.39 C +HETATM 88 O HYP A 15 2.192 6.449 -2.934 1.00 86.04 O +HETATM 89 CB HYP A 15 3.169 4.159 -4.969 1.00 82.21 C +HETATM 90 CG HYP A 15 4.292 4.444 -5.971 1.00 78.19 C +HETATM 91 CD HYP A 15 4.487 5.926 -5.823 1.00 83.17 C +HETATM 92 OD1 HYP A 15 3.858 4.121 -7.254 1.00 80.69 O +ATOM 93 N GLY A 16 0.403 5.272 -3.572 1.00 88.43 N +ATOM 94 CA GLY A 16 -0.258 5.445 -2.309 1.00 87.98 C +ATOM 95 C GLY A 16 0.396 4.628 -1.212 1.00 89.20 C +ATOM 96 O GLY A 16 1.311 3.833 -1.460 1.00 88.81 O +ATOM 97 N PRO A 17 -0.062 4.832 0.012 1.00 87.64 N +ATOM 98 CA PRO A 17 0.509 4.105 1.136 1.00 87.77 C +ATOM 99 C PRO A 17 0.130 2.634 1.104 1.00 88.82 C +ATOM 100 O PRO A 17 -0.811 2.232 0.426 1.00 87.12 O +ATOM 101 CB PRO A 17 -0.078 4.813 2.350 1.00 86.53 C +ATOM 102 CG PRO A 17 -1.358 5.379 1.859 1.00 85.30 C +ATOM 103 CD PRO A 17 -1.125 5.747 0.426 1.00 85.21 C +HETATM 104 N HYP A 18 0.876 1.837 1.857 1.00 85.35 N +HETATM 105 CA HYP A 18 0.551 0.459 1.996 1.00 87.89 C +HETATM 106 C HYP A 18 -0.827 0.236 2.537 1.00 87.38 C +HETATM 107 O HYP A 18 -1.344 1.047 3.349 1.00 87.41 O +HETATM 108 CB HYP A 18 1.620 -0.054 2.970 1.00 84.06 C +HETATM 109 CG HYP A 18 2.785 0.906 2.799 1.00 82.93 C +HETATM 110 CD HYP A 18 2.058 2.229 2.577 1.00 85.84 C +HETATM 111 OD1 HYP A 18 3.501 0.561 1.612 1.00 84.28 O +ATOM 112 N GLY A 19 -1.457 -0.798 2.072 1.00 86.22 N +ATOM 113 CA GLY A 19 -2.746 -1.172 2.577 1.00 86.55 C +ATOM 114 C GLY A 19 -2.668 -1.670 4.010 1.00 87.12 C +ATOM 115 O GLY A 19 -1.585 -1.846 4.570 1.00 87.11 O +ATOM 116 N PRO A 20 -3.818 -1.885 4.606 1.00 78.42 N +ATOM 117 CA PRO A 20 -3.848 -2.366 5.974 1.00 79.06 C +ATOM 118 C PRO A 20 -3.400 -3.818 6.056 1.00 78.41 C +ATOM 119 O PRO A 20 -3.355 -4.528 5.056 1.00 77.38 O +ATOM 120 CB PRO A 20 -5.313 -2.213 6.367 1.00 77.37 C +ATOM 121 CG PRO A 20 -6.039 -2.323 5.077 1.00 74.44 C +ATOM 122 CD PRO A 20 -5.147 -1.709 4.038 1.00 73.28 C +HETATM 123 N HYP A 21 -3.052 -4.229 7.256 1.00 83.75 N +HETATM 124 CA HYP A 21 -2.728 -5.622 7.473 1.00 81.56 C +HETATM 125 C HYP A 21 -3.832 -6.573 7.052 1.00 85.49 C +HETATM 126 O HYP A 21 -5.000 -6.197 7.153 1.00 88.34 O +HETATM 127 CB HYP A 21 -2.425 -5.693 8.973 1.00 82.22 C +HETATM 128 CG HYP A 21 -1.966 -4.270 9.346 1.00 77.27 C +HETATM 129 CD HYP A 21 -2.830 -3.405 8.458 1.00 85.49 C +HETATM 130 OD1 HYP A 21 -0.602 -4.100 8.926 1.00 80.01 O +ATOM 131 N GLY A 22 -3.456 -7.673 6.473 1.00 85.82 N +ATOM 132 CA GLY A 22 -4.418 -8.649 6.050 1.00 83.59 C +ATOM 133 C GLY A 22 -5.178 -9.252 7.222 1.00 83.32 C +ATOM 134 O GLY A 22 -4.895 -8.960 8.384 1.00 82.00 O +ATOM 135 N PRO A 23 -6.142 -10.108 6.919 1.00 88.10 N +ATOM 136 CA PRO A 23 -6.949 -10.712 7.972 1.00 88.16 C +ATOM 137 C PRO A 23 -6.144 -11.692 8.804 1.00 87.14 C +ATOM 138 O PRO A 23 -5.106 -12.197 8.384 1.00 83.24 O +ATOM 139 CB PRO A 23 -8.065 -11.413 7.205 1.00 84.53 C +ATOM 140 CG PRO A 23 -7.473 -11.695 5.878 1.00 82.31 C +ATOM 141 CD PRO A 23 -6.526 -10.566 5.595 1.00 83.60 C +HETATM 142 N HYP A 24 -6.553 -11.992 9.920 1.00 85.58 N +HETATM 143 CA HYP A 24 -5.892 -12.912 10.812 1.00 81.73 C +HETATM 144 C HYP A 24 -5.681 -14.275 10.204 1.00 82.05 C +HETATM 145 O HYP A 24 -6.612 -14.770 9.570 1.00 77.68 O +HETATM 146 CB HYP A 24 -6.873 -13.057 11.995 1.00 82.52 C +HETATM 147 CG HYP A 24 -7.924 -12.000 11.842 1.00 80.27 C +HETATM 148 CD HYP A 24 -7.904 -11.676 10.374 1.00 83.72 C +HETATM 149 OD1 HYP A 24 -7.521 -10.819 12.540 1.00 80.87 O +HETATM 150 OXT HYP A 24 -4.577 -14.846 10.454 1.00 75.69 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_423.txt b/protein_pdb_423.txt new file mode 100644 index 0000000000000000000000000000000000000000..78ee961972d695d0659984bb7cff7e7b06b37ab8 --- /dev/null +++ b/protein_pdb_423.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -4.207 15.044 0.056 1.00 90.64 N +ATOM 2 CA GLY A 1 -4.722 13.882 -0.584 1.00 91.62 C +ATOM 3 C GLY A 1 -5.150 12.788 0.376 1.00 92.93 C +ATOM 4 O GLY A 1 -4.740 12.767 1.532 1.00 91.12 O +ATOM 5 N PRO A 2 -5.930 11.905 -0.092 1.00 92.51 N +ATOM 6 CA PRO A 2 -6.409 10.802 0.720 1.00 93.16 C +ATOM 7 C PRO A 2 -5.340 9.737 0.902 1.00 93.02 C +ATOM 8 O PRO A 2 -4.343 9.709 0.185 1.00 90.95 O +ATOM 9 CB PRO A 2 -7.588 10.271 -0.085 1.00 90.65 C +ATOM 10 CG PRO A 2 -7.218 10.581 -1.488 1.00 88.50 C +ATOM 11 CD PRO A 2 -6.486 11.889 -1.436 1.00 90.89 C +HETATM 12 N HYP A 3 -5.587 8.881 1.875 1.00 92.55 N +HETATM 13 CA HYP A 3 -4.682 7.761 2.069 1.00 92.56 C +HETATM 14 C HYP A 3 -4.677 6.842 0.869 1.00 94.69 C +HETATM 15 O HYP A 3 -5.698 6.720 0.169 1.00 93.23 O +HETATM 16 CB HYP A 3 -5.358 7.023 3.286 1.00 90.78 C +HETATM 17 CG HYP A 3 -6.095 8.115 4.015 1.00 86.11 C +HETATM 18 CD HYP A 3 -6.600 8.999 2.862 1.00 89.58 C +HETATM 19 OD1 HYP A 3 -5.189 8.829 4.806 1.00 88.37 O +ATOM 20 N GLY A 4 -3.540 6.251 0.600 1.00 92.32 N +ATOM 21 CA GLY A 4 -3.417 5.313 -0.480 1.00 92.39 C +ATOM 22 C GLY A 4 -4.150 4.021 -0.185 1.00 93.61 C +ATOM 23 O GLY A 4 -4.617 3.788 0.929 1.00 93.29 O +ATOM 24 N PRO A 5 -4.261 3.154 -1.186 1.00 92.50 N +ATOM 25 CA PRO A 5 -4.941 1.881 -1.000 1.00 93.09 C +ATOM 26 C PRO A 5 -4.121 0.939 -0.132 1.00 93.20 C +ATOM 27 O PRO A 5 -2.920 1.121 0.042 1.00 91.39 O +ATOM 28 CB PRO A 5 -5.089 1.348 -2.418 1.00 91.13 C +ATOM 29 CG PRO A 5 -3.941 1.944 -3.148 1.00 89.37 C +ATOM 30 CD PRO A 5 -3.727 3.300 -2.541 1.00 91.95 C +HETATM 31 N HYP A 6 -4.839 -0.074 0.415 1.00 93.45 N +HETATM 32 CA HYP A 6 -4.125 -1.083 1.149 1.00 95.18 C +HETATM 33 C HYP A 6 -3.089 -1.760 0.296 1.00 94.28 C +HETATM 34 O HYP A 6 -3.267 -1.908 -0.929 1.00 94.25 O +HETATM 35 CB HYP A 6 -5.257 -2.057 1.546 1.00 91.96 C +HETATM 36 CG HYP A 6 -6.495 -1.231 1.562 1.00 90.85 C +HETATM 37 CD HYP A 6 -6.264 -0.272 0.399 1.00 92.07 C +HETATM 38 OD1 HYP A 6 -6.583 -0.500 2.757 1.00 89.93 O +ATOM 39 N GLY A 7 -1.981 -2.127 0.891 1.00 93.94 N +ATOM 40 CA GLY A 7 -0.941 -2.835 0.192 1.00 94.17 C +ATOM 41 C GLY A 7 -1.391 -4.217 -0.227 1.00 94.91 C +ATOM 42 O GLY A 7 -2.434 -4.715 0.197 1.00 94.56 O +ATOM 43 N PRO A 8 -0.603 -4.865 -1.064 1.00 94.41 N +ATOM 44 CA PRO A 8 -0.956 -6.200 -1.529 1.00 94.99 C +ATOM 45 C PRO A 8 -0.818 -7.233 -0.421 1.00 94.91 C +ATOM 46 O PRO A 8 -0.095 -7.041 0.548 1.00 93.33 O +ATOM 47 CB PRO A 8 0.022 -6.460 -2.671 1.00 93.21 C +ATOM 48 CG PRO A 8 1.174 -5.586 -2.380 1.00 91.65 C +ATOM 49 CD PRO A 8 0.641 -4.381 -1.660 1.00 93.93 C +HETATM 50 N HYP A 9 -1.534 -8.370 -0.607 1.00 93.18 N +HETATM 51 CA HYP A 9 -1.460 -9.426 0.330 1.00 93.17 C +HETATM 52 C HYP A 9 -0.113 -10.087 0.303 1.00 93.19 C +HETATM 53 O HYP A 9 0.550 -10.165 -0.721 1.00 91.85 O +HETATM 54 CB HYP A 9 -2.466 -10.486 -0.202 1.00 88.75 C +HETATM 55 CG HYP A 9 -3.379 -9.736 -1.048 1.00 88.19 C +HETATM 56 CD HYP A 9 -2.534 -8.658 -1.636 1.00 90.86 C +HETATM 57 OD1 HYP A 9 -4.374 -9.157 -0.242 1.00 87.78 O +ATOM 58 N GLY A 10 0.406 -10.496 1.432 1.00 92.22 N +ATOM 59 CA GLY A 10 1.568 -11.349 1.499 1.00 91.02 C +ATOM 60 C GLY A 10 1.167 -12.783 1.216 1.00 91.59 C +ATOM 61 O GLY A 10 0.056 -13.070 0.771 1.00 90.40 O +ATOM 62 N ASP A 11 2.067 -13.697 1.487 1.00 92.18 N +ATOM 63 CA ASP A 11 1.755 -15.112 1.309 1.00 93.73 C +ATOM 64 C ASP A 11 0.754 -15.537 2.381 1.00 94.44 C +ATOM 65 O ASP A 11 1.123 -15.852 3.510 1.00 91.60 O +ATOM 66 CB ASP A 11 3.021 -15.956 1.410 1.00 91.12 C +ATOM 67 CG ASP A 11 3.892 -15.844 0.175 1.00 84.90 C +ATOM 68 OD1 ASP A 11 3.446 -15.259 -0.827 1.00 83.83 O +ATOM 69 OD2 ASP A 11 5.030 -16.364 0.216 1.00 82.07 O +ATOM 70 N GLY A 12 -0.515 -15.516 2.020 1.00 92.23 N +ATOM 71 CA GLY A 12 -1.581 -15.809 2.961 1.00 93.25 C +ATOM 72 C GLY A 12 -1.850 -14.696 3.947 1.00 94.11 C +ATOM 73 O GLY A 12 -2.722 -14.835 4.810 1.00 90.89 O +ATOM 74 N GLY A 13 -1.126 -13.601 3.842 1.00 94.04 N +ATOM 75 CA GLY A 13 -1.268 -12.510 4.777 1.00 93.33 C +ATOM 76 C GLY A 13 -2.288 -11.487 4.333 1.00 94.26 C +ATOM 77 O GLY A 13 -2.758 -11.499 3.194 1.00 93.52 O +ATOM 78 N PRO A 14 -2.655 -10.598 5.240 1.00 94.33 N +ATOM 79 CA PRO A 14 -3.628 -9.561 4.929 1.00 94.37 C +ATOM 80 C PRO A 14 -3.022 -8.464 4.071 1.00 94.60 C +ATOM 81 O PRO A 14 -1.812 -8.361 3.926 1.00 93.38 O +ATOM 82 CB PRO A 14 -4.025 -9.023 6.302 1.00 92.62 C +ATOM 83 CG PRO A 14 -2.802 -9.219 7.126 1.00 91.09 C +ATOM 84 CD PRO A 14 -2.172 -10.492 6.624 1.00 92.81 C +HETATM 85 N HYP A 15 -3.924 -7.662 3.500 1.00 94.39 N +HETATM 86 CA HYP A 15 -3.463 -6.499 2.811 1.00 94.95 C +HETATM 87 C HYP A 15 -2.693 -5.597 3.694 1.00 95.79 C +HETATM 88 O HYP A 15 -2.939 -5.545 4.922 1.00 93.50 O +HETATM 89 CB HYP A 15 -4.812 -5.851 2.369 1.00 92.08 C +HETATM 90 CG HYP A 15 -5.763 -6.991 2.257 1.00 89.14 C +HETATM 91 CD HYP A 15 -5.365 -7.871 3.409 1.00 92.04 C +HETATM 92 OD1 HYP A 15 -5.580 -7.641 1.048 1.00 89.47 O +ATOM 93 N GLY A 16 -1.715 -4.923 3.144 1.00 95.43 N +ATOM 94 CA GLY A 16 -0.933 -3.986 3.899 1.00 95.28 C +ATOM 95 C GLY A 16 -1.751 -2.781 4.316 1.00 95.70 C +ATOM 96 O GLY A 16 -2.899 -2.620 3.899 1.00 95.33 O +ATOM 97 N PRO A 17 -1.163 -1.932 5.145 1.00 93.84 N +ATOM 98 CA PRO A 17 -1.870 -0.740 5.595 1.00 94.07 C +ATOM 99 C PRO A 17 -2.059 0.252 4.463 1.00 94.42 C +ATOM 100 O PRO A 17 -1.379 0.195 3.439 1.00 92.48 O +ATOM 101 CB PRO A 17 -0.965 -0.182 6.694 1.00 92.24 C +ATOM 102 CG PRO A 17 0.374 -0.731 6.396 1.00 90.29 C +ATOM 103 CD PRO A 17 0.174 -2.046 5.714 1.00 92.62 C +HETATM 104 N HYP A 18 -3.039 1.166 4.641 1.00 92.55 N +HETATM 105 CA HYP A 18 -3.206 2.204 3.702 1.00 94.19 C +HETATM 106 C HYP A 18 -1.972 3.014 3.497 1.00 94.28 C +HETATM 107 O HYP A 18 -1.183 3.189 4.451 1.00 93.18 O +HETATM 108 CB HYP A 18 -4.323 3.056 4.341 1.00 90.20 C +HETATM 109 CG HYP A 18 -5.097 2.088 5.189 1.00 88.65 C +HETATM 110 CD HYP A 18 -3.999 1.196 5.725 1.00 91.51 C +HETATM 111 OD1 HYP A 18 -5.984 1.349 4.387 1.00 88.41 O +ATOM 112 N GLY A 19 -1.756 3.450 2.299 1.00 90.82 N +ATOM 113 CA GLY A 19 -0.632 4.290 1.997 1.00 90.95 C +ATOM 114 C GLY A 19 -0.743 5.635 2.687 1.00 91.42 C +ATOM 115 O GLY A 19 -1.776 5.977 3.262 1.00 91.29 O +ATOM 116 N PRO A 20 0.323 6.410 2.642 1.00 91.42 N +ATOM 117 CA PRO A 20 0.325 7.706 3.299 1.00 91.76 C +ATOM 118 C PRO A 20 -0.577 8.697 2.588 1.00 91.91 C +ATOM 119 O PRO A 20 -0.872 8.561 1.404 1.00 90.46 O +ATOM 120 CB PRO A 20 1.789 8.138 3.228 1.00 89.44 C +ATOM 121 CG PRO A 20 2.311 7.441 2.033 1.00 87.43 C +ATOM 122 CD PRO A 20 1.587 6.126 1.971 1.00 90.24 C +HETATM 123 N HYP A 21 -0.999 9.693 3.340 1.00 90.05 N +HETATM 124 CA HYP A 21 -1.773 10.741 2.754 1.00 90.86 C +HETATM 125 C HYP A 21 -1.005 11.541 1.747 1.00 90.59 C +HETATM 126 O HYP A 21 0.206 11.718 1.906 1.00 91.08 O +HETATM 127 CB HYP A 21 -2.102 11.677 3.953 1.00 87.52 C +HETATM 128 CG HYP A 21 -1.971 10.815 5.168 1.00 84.93 C +HETATM 129 CD HYP A 21 -0.855 9.868 4.794 1.00 89.35 C +HETATM 130 OD1 HYP A 21 -3.177 10.068 5.334 1.00 86.81 O +ATOM 131 N GLY A 22 -1.607 11.925 0.698 1.00 88.92 N +ATOM 132 CA GLY A 22 -0.995 12.847 -0.219 1.00 87.09 C +ATOM 133 C GLY A 22 -0.972 14.242 0.382 1.00 87.32 C +ATOM 134 O GLY A 22 -1.544 14.485 1.441 1.00 86.37 O +ATOM 135 N PRO A 23 -0.322 15.186 -0.277 1.00 92.90 N +ATOM 136 CA PRO A 23 -0.323 16.558 0.215 1.00 93.36 C +ATOM 137 C PRO A 23 -1.714 17.152 0.069 1.00 92.54 C +ATOM 138 O PRO A 23 -2.220 17.255 -1.043 1.00 89.06 O +ATOM 139 CB PRO A 23 0.680 17.281 -0.683 1.00 90.66 C +ATOM 140 CG PRO A 23 1.326 16.226 -1.498 1.00 88.03 C +ATOM 141 CD PRO A 23 0.432 15.033 -1.500 1.00 90.95 C +HETATM 142 N HYP A 24 -2.403 17.369 1.091 1.00 93.28 N +HETATM 143 CA HYP A 24 -3.909 17.505 1.035 1.00 90.63 C +HETATM 144 C HYP A 24 -4.693 16.457 0.556 1.00 93.35 C +HETATM 145 O HYP A 24 -5.813 16.121 1.126 1.00 92.06 O +HETATM 146 CB HYP A 24 -4.308 18.378 2.119 1.00 88.73 C +HETATM 147 CG HYP A 24 -3.063 19.253 2.315 1.00 87.88 C +HETATM 148 CD HYP A 24 -1.874 18.312 1.957 1.00 90.48 C +HETATM 149 OD1 HYP A 24 -2.971 19.796 3.593 1.00 89.47 O +HETATM 150 OXT HYP A 24 -5.348 16.649 -0.538 1.00 88.71 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_424.txt b/protein_pdb_424.txt new file mode 100644 index 0000000000000000000000000000000000000000..bc8d5c5f3f2ac7fa7142556ab12169d0d351eb40 --- /dev/null +++ b/protein_pdb_424.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -6.147 14.777 3.319 1.00 77.80 N +ATOM 2 CA GLY A 1 -6.885 13.721 2.708 1.00 78.42 C +ATOM 3 C GLY A 1 -6.819 12.408 3.464 1.00 80.44 C +ATOM 4 O GLY A 1 -6.044 12.276 4.415 1.00 76.85 O +ATOM 5 N PRO A 2 -7.589 11.459 3.061 1.00 80.12 N +ATOM 6 CA PRO A 2 -7.655 10.171 3.730 1.00 81.58 C +ATOM 7 C PRO A 2 -6.450 9.297 3.407 1.00 80.90 C +ATOM 8 O PRO A 2 -5.710 9.561 2.461 1.00 78.04 O +ATOM 9 CB PRO A 2 -8.940 9.560 3.175 1.00 77.83 C +ATOM 10 CG PRO A 2 -9.040 10.147 1.817 1.00 75.19 C +ATOM 11 CD PRO A 2 -8.521 11.551 1.944 1.00 76.58 C +HETATM 12 N HYP A 3 -6.300 8.260 4.197 1.00 82.47 N +HETATM 13 CA HYP A 3 -5.231 7.309 3.939 1.00 83.36 C +HETATM 14 C HYP A 3 -5.408 6.659 2.590 1.00 84.98 C +HETATM 15 O HYP A 3 -6.552 6.505 2.117 1.00 86.00 O +HETATM 16 CB HYP A 3 -5.448 6.274 5.081 1.00 81.66 C +HETATM 17 CG HYP A 3 -6.097 7.082 6.176 1.00 75.99 C +HETATM 18 CD HYP A 3 -7.018 8.038 5.402 1.00 77.02 C +HETATM 19 OD1 HYP A 3 -5.123 7.815 6.861 1.00 80.63 O +ATOM 20 N GLY A 4 -4.326 6.332 1.966 1.00 81.72 N +ATOM 21 CA GLY A 4 -4.375 5.634 0.708 1.00 80.67 C +ATOM 22 C GLY A 4 -4.889 4.213 0.882 1.00 82.14 C +ATOM 23 O GLY A 4 -5.033 3.724 2.005 1.00 80.01 O +ATOM 24 N PRO A 5 -5.168 3.536 -0.219 1.00 84.64 N +ATOM 25 CA PRO A 5 -5.677 2.171 -0.153 1.00 84.69 C +ATOM 26 C PRO A 5 -4.594 1.194 0.268 1.00 84.10 C +ATOM 27 O PRO A 5 -3.405 1.493 0.199 1.00 81.37 O +ATOM 28 CB PRO A 5 -6.143 1.900 -1.583 1.00 81.79 C +ATOM 29 CG PRO A 5 -5.260 2.761 -2.412 1.00 79.82 C +ATOM 30 CD PRO A 5 -5.024 3.999 -1.592 1.00 81.70 C +HETATM 31 N HYP A 6 -5.036 0.034 0.706 1.00 84.98 N +HETATM 32 CA HYP A 6 -4.091 -1.034 1.027 1.00 87.06 C +HETATM 33 C HYP A 6 -3.214 -1.352 -0.141 1.00 86.15 C +HETATM 34 O HYP A 6 -3.661 -1.246 -1.314 1.00 86.95 O +HETATM 35 CB HYP A 6 -5.055 -2.179 1.319 1.00 81.02 C +HETATM 36 CG HYP A 6 -6.303 -1.530 1.786 1.00 79.54 C +HETATM 37 CD HYP A 6 -6.403 -0.328 0.922 1.00 82.65 C +HETATM 38 OD1 HYP A 6 -6.212 -1.141 3.123 1.00 80.91 O +ATOM 39 N GLY A 7 -1.987 -1.653 0.130 1.00 84.32 N +ATOM 40 CA GLY A 7 -1.062 -2.011 -0.912 1.00 82.66 C +ATOM 41 C GLY A 7 -1.458 -3.310 -1.592 1.00 83.73 C +ATOM 42 O GLY A 7 -2.334 -4.036 -1.119 1.00 82.20 O +ATOM 43 N PRO A 8 -0.819 -3.611 -2.696 1.00 83.44 N +ATOM 44 CA PRO A 8 -1.140 -4.839 -3.414 1.00 82.77 C +ATOM 45 C PRO A 8 -0.692 -6.079 -2.648 1.00 82.63 C +ATOM 46 O PRO A 8 0.233 -6.022 -1.844 1.00 79.89 O +ATOM 47 CB PRO A 8 -0.385 -4.697 -4.736 1.00 80.39 C +ATOM 48 CG PRO A 8 0.745 -3.796 -4.409 1.00 81.19 C +ATOM 49 CD PRO A 8 0.227 -2.852 -3.364 1.00 82.43 C +HETATM 50 N HYP A 9 -1.327 -7.206 -2.959 1.00 79.07 N +HETATM 51 CA HYP A 9 -1.009 -8.410 -2.345 1.00 81.19 C +HETATM 52 C HYP A 9 0.408 -8.857 -2.710 1.00 80.95 C +HETATM 53 O HYP A 9 0.838 -8.638 -3.827 1.00 82.25 O +HETATM 54 CB HYP A 9 -1.950 -9.421 -3.011 1.00 75.23 C +HETATM 55 CG HYP A 9 -3.068 -8.630 -3.504 1.00 73.12 C +HETATM 56 CD HYP A 9 -2.464 -7.322 -3.870 1.00 79.07 C +HETATM 57 OD1 HYP A 9 -4.004 -8.396 -2.488 1.00 76.28 O +ATOM 58 N GLY A 10 1.135 -9.367 -1.797 1.00 81.47 N +ATOM 59 CA GLY A 10 2.478 -9.831 -2.068 1.00 79.38 C +ATOM 60 C GLY A 10 2.524 -11.232 -2.645 1.00 79.98 C +ATOM 61 O GLY A 10 3.608 -11.778 -2.823 1.00 76.38 O +ATOM 62 N GLY A 11 1.372 -11.815 -2.935 1.00 78.89 N +ATOM 63 CA GLY A 11 1.305 -13.201 -3.371 1.00 78.17 C +ATOM 64 C GLY A 11 1.003 -14.073 -2.181 1.00 79.39 C +ATOM 65 O GLY A 11 -0.114 -14.562 -2.017 1.00 74.58 O +ATOM 66 N GLU A 12 2.002 -14.251 -1.357 1.00 73.54 N +ATOM 67 CA GLU A 12 1.813 -14.843 -0.051 1.00 77.05 C +ATOM 68 C GLU A 12 1.936 -13.728 0.974 1.00 78.85 C +ATOM 69 O GLU A 12 2.975 -13.082 1.089 1.00 72.46 O +ATOM 70 CB GLU A 12 2.828 -15.961 0.193 1.00 71.33 C +ATOM 71 CG GLU A 12 4.266 -15.502 0.070 1.00 66.62 C +ATOM 72 CD GLU A 12 5.244 -16.655 0.232 1.00 62.24 C +ATOM 73 OE1 GLU A 12 4.859 -17.813 -0.027 1.00 58.89 O +ATOM 74 OE2 GLU A 12 6.391 -16.397 0.616 1.00 62.47 O +ATOM 75 N GLY A 13 0.849 -13.487 1.697 1.00 80.49 N +ATOM 76 CA GLY A 13 0.829 -12.411 2.664 1.00 79.16 C +ATOM 77 C GLY A 13 -0.313 -11.461 2.396 1.00 81.03 C +ATOM 78 O GLY A 13 -0.871 -11.432 1.297 1.00 78.65 O +ATOM 79 N PRO A 14 -0.684 -10.701 3.401 1.00 79.22 N +ATOM 80 CA PRO A 14 -1.818 -9.792 3.280 1.00 79.45 C +ATOM 81 C PRO A 14 -1.481 -8.573 2.432 1.00 79.84 C +ATOM 82 O PRO A 14 -0.325 -8.318 2.105 1.00 76.30 O +ATOM 83 CB PRO A 14 -2.104 -9.394 4.727 1.00 76.21 C +ATOM 84 CG PRO A 14 -0.780 -9.471 5.381 1.00 75.44 C +ATOM 85 CD PRO A 14 -0.077 -10.633 4.731 1.00 75.89 C +HETATM 86 N HYP A 15 -2.521 -7.862 2.084 1.00 78.97 N +HETATM 87 CA HYP A 15 -2.351 -6.594 1.420 1.00 80.38 C +HETATM 88 C HYP A 15 -1.455 -5.714 2.224 1.00 83.17 C +HETATM 89 O HYP A 15 -1.383 -5.862 3.454 1.00 81.63 O +HETATM 90 CB HYP A 15 -3.811 -6.088 1.372 1.00 77.25 C +HETATM 91 CG HYP A 15 -4.612 -7.346 1.318 1.00 73.90 C +HETATM 92 CD HYP A 15 -3.875 -8.255 2.276 1.00 78.20 C +HETATM 93 OD1 HYP A 15 -4.639 -7.858 0.051 1.00 78.45 O +ATOM 94 N GLY A 16 -0.778 -4.829 1.571 1.00 82.41 N +ATOM 95 CA GLY A 16 0.055 -3.888 2.262 1.00 81.26 C +ATOM 96 C GLY A 16 -0.764 -2.935 3.111 1.00 83.22 C +ATOM 97 O GLY A 16 -1.991 -2.911 3.033 1.00 81.37 O +ATOM 98 N PRO A 17 -0.084 -2.153 3.931 1.00 84.30 N +ATOM 99 CA PRO A 17 -0.783 -1.203 4.784 1.00 84.48 C +ATOM 100 C PRO A 17 -1.371 -0.056 3.979 1.00 85.03 C +ATOM 101 O PRO A 17 -0.986 0.183 2.837 1.00 82.85 O +ATOM 102 CB PRO A 17 0.308 -0.715 5.734 1.00 82.20 C +ATOM 103 CG PRO A 17 1.559 -0.874 4.952 1.00 81.86 C +ATOM 104 CD PRO A 17 1.359 -2.102 4.114 1.00 82.68 C +HETATM 105 N HYP A 18 -2.316 0.624 4.558 1.00 82.36 N +HETATM 106 CA HYP A 18 -2.869 1.789 3.960 1.00 86.79 C +HETATM 107 C HYP A 18 -1.822 2.777 3.618 1.00 84.86 C +HETATM 108 O HYP A 18 -0.803 2.896 4.335 1.00 86.08 O +HETATM 109 CB HYP A 18 -3.808 2.297 5.041 1.00 82.24 C +HETATM 110 CG HYP A 18 -4.183 1.076 5.805 1.00 79.64 C +HETATM 111 CD HYP A 18 -2.901 0.281 5.820 1.00 83.73 C +HETATM 112 OD1 HYP A 18 -5.184 0.356 5.142 1.00 82.18 O +ATOM 113 N GLY A 19 -2.003 3.462 2.541 1.00 84.41 N +ATOM 114 CA GLY A 19 -1.082 4.492 2.138 1.00 84.37 C +ATOM 115 C GLY A 19 -1.083 5.650 3.113 1.00 86.53 C +ATOM 116 O GLY A 19 -1.894 5.711 4.033 1.00 85.89 O +ATOM 117 N PRO A 20 -0.166 6.572 2.924 1.00 81.91 N +ATOM 118 CA PRO A 20 -0.070 7.705 3.826 1.00 82.78 C +ATOM 119 C PRO A 20 -1.244 8.657 3.675 1.00 82.33 C +ATOM 120 O PRO A 20 -1.907 8.680 2.638 1.00 79.92 O +ATOM 121 CB PRO A 20 1.240 8.375 3.416 1.00 79.70 C +ATOM 122 CG PRO A 20 1.377 8.014 1.978 1.00 77.85 C +ATOM 123 CD PRO A 20 0.817 6.624 1.863 1.00 80.32 C +HETATM 124 N HYP A 21 -1.492 9.421 4.694 1.00 83.08 N +HETATM 125 CA HYP A 21 -2.501 10.418 4.638 1.00 83.95 C +HETATM 126 C HYP A 21 -2.252 11.428 3.563 1.00 80.89 C +HETATM 127 O HYP A 21 -1.084 11.795 3.339 1.00 86.65 O +HETATM 128 CB HYP A 21 -2.344 11.107 6.018 1.00 79.37 C +HETATM 129 CG HYP A 21 -1.749 10.048 6.907 1.00 77.27 C +HETATM 130 CD HYP A 21 -0.827 9.342 5.990 1.00 83.52 C +HETATM 131 OD1 HYP A 21 -2.751 9.138 7.341 1.00 82.39 O +ATOM 132 N GLY A 22 -3.240 11.785 2.850 1.00 82.24 N +ATOM 133 CA GLY A 22 -3.102 12.821 1.862 1.00 80.86 C +ATOM 134 C GLY A 22 -2.913 14.173 2.530 1.00 81.04 C +ATOM 135 O GLY A 22 -3.090 14.308 3.738 1.00 78.61 O +ATOM 136 N PRO A 23 -2.564 15.179 1.764 1.00 82.84 N +ATOM 137 CA PRO A 23 -2.429 16.515 2.321 1.00 83.56 C +ATOM 138 C PRO A 23 -3.802 17.107 2.589 1.00 82.54 C +ATOM 139 O PRO A 23 -4.579 17.304 1.660 1.00 78.05 O +ATOM 140 CB PRO A 23 -1.687 17.281 1.229 1.00 79.04 C +ATOM 141 CG PRO A 23 -2.050 16.574 -0.027 1.00 76.52 C +ATOM 142 CD PRO A 23 -2.246 15.129 0.351 1.00 79.11 C +HETATM 143 N HYP A 24 -4.188 17.258 3.821 1.00 82.76 N +HETATM 144 CA HYP A 24 -5.592 17.367 4.139 1.00 73.93 C +HETATM 145 C HYP A 24 -6.506 16.546 3.517 1.00 78.96 C +HETATM 146 O HYP A 24 -7.763 16.489 3.802 1.00 76.99 O +HETATM 147 CB HYP A 24 -5.837 18.223 5.274 1.00 76.25 C +HETATM 148 CG HYP A 24 -4.477 18.892 5.512 1.00 77.54 C +HETATM 149 CD HYP A 24 -3.459 18.169 4.588 1.00 81.87 C +HETATM 150 OD1 HYP A 24 -4.047 18.712 6.846 1.00 79.33 O +HETATM 151 OXT HYP A 24 -6.679 16.790 2.278 1.00 77.41 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_425.txt b/protein_pdb_425.txt new file mode 100644 index 0000000000000000000000000000000000000000..298a6df8bb5e3d10b5f81801c2a8e1c5668178ad --- /dev/null +++ b/protein_pdb_425.txt @@ -0,0 +1,151 @@ +ATOM 1 N GLY A 1 12.725 -2.223 -7.029 1.00 86.71 N +ATOM 2 CA GLY A 1 11.825 -1.121 -7.072 1.00 87.34 C +ATOM 3 C GLY A 1 11.428 -0.595 -5.713 1.00 88.43 C +ATOM 4 O GLY A 1 11.636 -1.258 -4.693 1.00 86.34 O +ATOM 5 N PRO A 2 10.867 0.555 -5.696 1.00 84.21 N +ATOM 6 CA PRO A 2 10.409 1.155 -4.459 1.00 85.95 C +ATOM 7 C PRO A 2 9.132 0.506 -3.967 1.00 85.44 C +ATOM 8 O PRO A 2 8.493 -0.266 -4.683 1.00 82.31 O +ATOM 9 CB PRO A 2 10.171 2.606 -4.862 1.00 83.45 C +ATOM 10 CG PRO A 2 9.781 2.506 -6.293 1.00 79.41 C +ATOM 11 CD PRO A 2 10.613 1.392 -6.861 1.00 79.36 C +HETATM 12 N HYP A 3 8.781 0.835 -2.723 1.00 84.25 N +HETATM 13 CA HYP A 3 7.505 0.338 -2.228 1.00 86.06 C +HETATM 14 C HYP A 3 6.378 0.806 -3.080 1.00 86.99 C +HETATM 15 O HYP A 3 6.443 1.875 -3.684 1.00 87.15 O +HETATM 16 CB HYP A 3 7.453 0.973 -0.809 1.00 82.92 C +HETATM 17 CG HYP A 3 8.903 1.082 -0.425 1.00 80.04 C +HETATM 18 CD HYP A 3 9.554 1.491 -1.745 1.00 83.65 C +HETATM 19 OD1 HYP A 3 9.347 -0.189 -0.041 1.00 81.36 O +ATOM 20 N GLY A 4 5.386 -0.038 -3.176 1.00 89.31 N +ATOM 21 CA GLY A 4 4.206 0.308 -3.911 1.00 89.28 C +ATOM 22 C GLY A 4 3.448 1.430 -3.238 1.00 90.53 C +ATOM 23 O GLY A 4 3.743 1.812 -2.106 1.00 90.10 O +ATOM 24 N PRO A 5 2.457 1.975 -3.925 1.00 85.83 N +ATOM 25 CA PRO A 5 1.672 3.060 -3.356 1.00 86.38 C +ATOM 26 C PRO A 5 0.777 2.566 -2.236 1.00 86.21 C +ATOM 27 O PRO A 5 0.522 1.375 -2.103 1.00 83.77 O +ATOM 28 CB PRO A 5 0.855 3.557 -4.541 1.00 85.29 C +ATOM 29 CG PRO A 5 0.714 2.356 -5.404 1.00 83.31 C +ATOM 30 CD PRO A 5 2.003 1.603 -5.257 1.00 83.42 C +HETATM 31 N HYP A 6 0.309 3.522 -1.407 1.00 85.08 N +HETATM 32 CA HYP A 6 -0.626 3.164 -0.378 1.00 89.48 C +HETATM 33 C HYP A 6 -1.877 2.549 -0.936 1.00 87.95 C +HETATM 34 O HYP A 6 -2.297 2.890 -2.061 1.00 88.96 O +HETATM 35 CB HYP A 6 -0.932 4.508 0.301 1.00 82.66 C +HETATM 36 CG HYP A 6 0.305 5.314 0.041 1.00 82.26 C +HETATM 37 CD HYP A 6 0.654 4.896 -1.354 1.00 86.34 C +HETATM 38 OD1 HYP A 6 1.300 4.899 0.937 1.00 83.76 O +ATOM 39 N GLY A 7 -2.394 1.612 -0.232 1.00 89.74 N +ATOM 40 CA GLY A 7 -3.631 0.998 -0.627 1.00 89.07 C +ATOM 41 C GLY A 7 -4.774 1.994 -0.583 1.00 89.42 C +ATOM 42 O GLY A 7 -4.637 3.102 -0.075 1.00 88.57 O +ATOM 43 N PRO A 8 -5.900 1.604 -1.122 1.00 87.12 N +ATOM 44 CA PRO A 8 -7.056 2.493 -1.123 1.00 87.09 C +ATOM 45 C PRO A 8 -7.626 2.666 0.276 1.00 86.40 C +ATOM 46 O PRO A 8 -7.379 1.859 1.169 1.00 84.18 O +ATOM 47 CB PRO A 8 -8.046 1.778 -2.035 1.00 85.97 C +ATOM 48 CG PRO A 8 -7.685 0.347 -1.902 1.00 85.23 C +ATOM 49 CD PRO A 8 -6.193 0.318 -1.743 1.00 85.96 C +HETATM 50 N HYP A 9 -8.415 3.732 0.446 1.00 84.15 N +HETATM 51 CA HYP A 9 -9.064 3.956 1.689 1.00 82.95 C +HETATM 52 C HYP A 9 -10.008 2.850 1.988 1.00 83.89 C +HETATM 53 O HYP A 9 -10.609 2.268 1.102 1.00 85.17 O +HETATM 54 CB HYP A 9 -9.799 5.273 1.466 1.00 77.19 C +HETATM 55 CG HYP A 9 -9.028 5.937 0.414 1.00 78.65 C +HETATM 56 CD HYP A 9 -8.589 4.832 -0.458 1.00 82.13 C +HETATM 57 OD1 HYP A 9 -7.898 6.554 0.988 1.00 79.59 O +ATOM 58 N GLY A 10 -10.151 2.535 3.217 1.00 88.07 N +ATOM 59 CA GLY A 10 -11.026 1.487 3.672 1.00 84.58 C +ATOM 60 C GLY A 10 -12.483 1.900 3.708 1.00 84.49 C +ATOM 61 O GLY A 10 -13.238 1.404 4.542 1.00 82.70 O +ATOM 62 N GLY A 11 -12.887 2.805 2.843 1.00 82.72 N +ATOM 63 CA GLY A 11 -14.232 3.352 2.849 1.00 84.26 C +ATOM 64 C GLY A 11 -14.252 4.626 3.645 1.00 87.30 C +ATOM 65 O GLY A 11 -14.290 5.722 3.088 1.00 83.84 O +ATOM 66 N THR A 12 -14.206 4.471 4.946 1.00 85.48 N +ATOM 67 CA THR A 12 -14.014 5.589 5.860 1.00 89.26 C +ATOM 68 C THR A 12 -12.710 5.438 6.624 1.00 88.72 C +ATOM 69 O THR A 12 -12.395 6.251 7.492 1.00 85.23 O +ATOM 70 CB THR A 12 -15.179 5.694 6.866 1.00 86.26 C +ATOM 71 OG1 THR A 12 -15.280 4.476 7.588 1.00 82.21 O +ATOM 72 CG2 THR A 12 -16.493 5.952 6.139 1.00 79.99 C +ATOM 73 N GLY A 13 -11.964 4.400 6.304 1.00 90.55 N +ATOM 74 CA GLY A 13 -10.727 4.116 6.990 1.00 88.71 C +ATOM 75 C GLY A 13 -9.521 4.695 6.295 1.00 89.20 C +ATOM 76 O GLY A 13 -9.621 5.285 5.217 1.00 88.75 O +ATOM 77 N PRO A 14 -8.366 4.545 6.910 1.00 90.42 N +ATOM 78 CA PRO A 14 -7.130 5.069 6.341 1.00 90.17 C +ATOM 79 C PRO A 14 -6.697 4.271 5.124 1.00 90.63 C +ATOM 80 O PRO A 14 -7.162 3.153 4.894 1.00 89.08 O +ATOM 81 CB PRO A 14 -6.124 4.927 7.475 1.00 88.99 C +ATOM 82 CG PRO A 14 -6.612 3.745 8.232 1.00 88.36 C +ATOM 83 CD PRO A 14 -8.112 3.820 8.167 1.00 88.78 C +HETATM 84 N HYP A 15 -5.798 4.861 4.376 1.00 89.85 N +HETATM 85 CA HYP A 15 -5.210 4.136 3.281 1.00 91.46 C +HETATM 86 C HYP A 15 -4.508 2.909 3.723 1.00 91.86 C +HETATM 87 O HYP A 15 -4.038 2.853 4.881 1.00 89.91 O +HETATM 88 CB HYP A 15 -4.255 5.193 2.697 1.00 87.01 C +HETATM 89 CG HYP A 15 -4.920 6.492 3.059 1.00 85.42 C +HETATM 90 CD HYP A 15 -5.426 6.216 4.441 1.00 88.99 C +HETATM 91 OD1 HYP A 15 -5.968 6.740 2.182 1.00 85.61 O +ATOM 92 N GLY A 16 -4.478 1.937 2.888 1.00 92.02 N +ATOM 93 CA GLY A 16 -3.753 0.739 3.181 1.00 91.26 C +ATOM 94 C GLY A 16 -2.264 0.995 3.243 1.00 91.91 C +ATOM 95 O GLY A 16 -1.790 2.072 2.890 1.00 91.32 O +ATOM 96 N PRO A 17 -1.526 0.000 3.702 1.00 89.51 N +ATOM 97 CA PRO A 17 -0.081 0.159 3.801 1.00 89.28 C +ATOM 98 C PRO A 17 0.567 0.189 2.429 1.00 89.90 C +ATOM 99 O PRO A 17 -0.012 -0.253 1.439 1.00 88.20 O +ATOM 100 CB PRO A 17 0.354 -1.070 4.596 1.00 87.70 C +ATOM 101 CG PRO A 17 -0.687 -2.078 4.284 1.00 86.56 C +ATOM 102 CD PRO A 17 -1.969 -1.314 4.137 1.00 87.30 C +HETATM 103 N HYP A 18 1.790 0.727 2.377 1.00 86.05 N +HETATM 104 CA HYP A 18 2.519 0.684 1.169 1.00 85.88 C +HETATM 105 C HYP A 18 2.725 -0.696 0.686 1.00 87.86 C +HETATM 106 O HYP A 18 2.833 -1.651 1.486 1.00 88.51 O +HETATM 107 CB HYP A 18 3.831 1.357 1.552 1.00 82.05 C +HETATM 108 CG HYP A 18 3.468 2.253 2.702 1.00 83.93 C +HETATM 109 CD HYP A 18 2.451 1.428 3.416 1.00 88.44 C +HETATM 110 OD1 HYP A 18 2.868 3.434 2.199 1.00 85.05 O +ATOM 111 N GLY A 19 2.749 -0.858 -0.605 1.00 87.34 N +ATOM 112 CA GLY A 19 3.027 -2.135 -1.198 1.00 86.96 C +ATOM 113 C GLY A 19 4.462 -2.558 -0.943 1.00 86.41 C +ATOM 114 O GLY A 19 5.289 -1.771 -0.497 1.00 86.11 O +ATOM 115 N PRO A 20 4.758 -3.809 -1.222 1.00 78.41 N +ATOM 116 CA PRO A 20 6.110 -4.297 -1.022 1.00 78.68 C +ATOM 117 C PRO A 20 7.062 -3.723 -2.056 1.00 76.71 C +ATOM 118 O PRO A 20 6.643 -3.221 -3.091 1.00 77.18 O +ATOM 119 CB PRO A 20 5.955 -5.805 -1.191 1.00 78.20 C +ATOM 120 CG PRO A 20 4.801 -5.941 -2.111 1.00 76.07 C +ATOM 121 CD PRO A 20 3.865 -4.824 -1.760 1.00 75.70 C +HETATM 122 N HYP A 21 8.362 -3.806 -1.736 1.00 82.15 N +HETATM 123 CA HYP A 21 9.333 -3.378 -2.686 1.00 82.47 C +HETATM 124 C HYP A 21 9.230 -4.106 -3.987 1.00 80.87 C +HETATM 125 O HYP A 21 8.939 -5.297 -4.003 1.00 85.60 O +HETATM 126 CB HYP A 21 10.680 -3.704 -2.020 1.00 78.99 C +HETATM 127 CG HYP A 21 10.374 -3.653 -0.558 1.00 76.04 C +HETATM 128 CD HYP A 21 8.994 -4.217 -0.501 1.00 83.89 C +HETATM 129 OD1 HYP A 21 10.330 -2.286 -0.134 1.00 76.97 O +ATOM 130 N GLY A 22 9.359 -3.392 -5.068 1.00 85.54 N +ATOM 131 CA GLY A 22 9.350 -3.988 -6.369 1.00 82.79 C +ATOM 132 C GLY A 22 10.619 -4.787 -6.607 1.00 81.73 C +ATOM 133 O GLY A 22 11.560 -4.724 -5.817 1.00 80.42 O +ATOM 134 N PRO A 23 10.669 -5.526 -7.701 1.00 85.62 N +ATOM 135 CA PRO A 23 11.856 -6.303 -8.021 1.00 86.48 C +ATOM 136 C PRO A 23 12.953 -5.398 -8.552 1.00 84.64 C +ATOM 137 O PRO A 23 12.909 -4.968 -9.699 1.00 81.67 O +ATOM 138 CB PRO A 23 11.350 -7.283 -9.075 1.00 83.41 C +ATOM 139 CG PRO A 23 10.237 -6.557 -9.732 1.00 79.78 C +ATOM 140 CD PRO A 23 9.601 -5.698 -8.661 1.00 81.20 C +HETATM 141 N HYP A 24 13.826 -4.967 -7.686 1.00 88.66 N +HETATM 142 CA HYP A 24 14.642 -3.754 -7.768 1.00 83.63 C +HETATM 143 C HYP A 24 14.098 -2.520 -7.652 1.00 88.55 C +HETATM 144 O HYP A 24 14.100 -1.767 -8.703 1.00 86.88 O +HETATM 145 CB HYP A 24 16.018 -4.053 -7.573 1.00 82.73 C +HETATM 146 CG HYP A 24 16.095 -5.527 -7.784 1.00 83.06 C +HETATM 147 CD HYP A 24 14.657 -6.050 -7.627 1.00 85.94 C +HETATM 148 OD1 HYP A 24 16.926 -6.145 -6.837 1.00 84.69 O +HETATM 149 OXT HYP A 24 14.527 -1.746 -6.556 1.00 83.39 O +TER 150 HYP A 24 +END diff --git a/protein_pdb_426.txt b/protein_pdb_426.txt new file mode 100644 index 0000000000000000000000000000000000000000..32774d902839180f2d237bab04a97114e8de0b42 --- /dev/null +++ b/protein_pdb_426.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -21.439 -17.693 25.863 1.00 90.74 N +ATOM 2 CA GLY A 1 -19.994 -17.604 25.686 1.00 92.20 C +ATOM 3 C GLY A 1 -19.554 -16.200 25.363 1.00 92.50 C +ATOM 4 O GLY A 1 -20.395 -15.341 25.079 1.00 90.53 O +ATOM 5 N PRO A 2 -18.260 -15.916 25.380 1.00 93.01 N +ATOM 6 CA PRO A 2 -17.748 -14.579 25.087 1.00 94.07 C +ATOM 7 C PRO A 2 -17.924 -14.211 23.622 1.00 94.21 C +ATOM 8 O PRO A 2 -18.040 -15.072 22.765 1.00 93.24 O +ATOM 9 CB PRO A 2 -16.268 -14.666 25.472 1.00 92.66 C +ATOM 10 CG PRO A 2 -15.941 -16.102 25.241 1.00 89.47 C +ATOM 11 CD PRO A 2 -17.181 -16.843 25.690 1.00 91.28 C +HETATM 12 N HYP A 3 -18.004 -13.019 23.370 1.00 93.27 N +HETATM 13 CA HYP A 3 -18.033 -12.451 21.964 1.00 91.55 C +HETATM 14 C HYP A 3 -16.862 -12.932 21.139 1.00 90.97 C +HETATM 15 O HYP A 3 -15.761 -13.187 21.690 1.00 92.87 O +HETATM 16 CB HYP A 3 -18.002 -10.959 22.222 1.00 89.12 C +HETATM 17 CG HYP A 3 -18.526 -10.745 23.640 1.00 88.58 C +HETATM 18 CD HYP A 3 -17.965 -11.967 24.379 1.00 90.53 C +HETATM 19 OD1 HYP A 3 -19.927 -10.773 23.688 1.00 91.13 O +ATOM 20 N GLY A 4 -17.059 -13.052 19.836 1.00 93.44 N +ATOM 21 CA GLY A 4 -15.991 -13.446 18.949 1.00 93.15 C +ATOM 22 C GLY A 4 -14.954 -12.336 18.821 1.00 93.22 C +ATOM 23 O GLY A 4 -15.186 -11.203 19.249 1.00 93.34 O +ATOM 24 N PRO A 5 -13.808 -12.638 18.222 1.00 94.71 N +ATOM 25 CA PRO A 5 -12.748 -11.647 18.070 1.00 94.97 C +ATOM 26 C PRO A 5 -13.134 -10.563 17.069 1.00 95.00 C +ATOM 27 O PRO A 5 -13.970 -10.777 16.203 1.00 94.66 O +ATOM 28 CB PRO A 5 -11.555 -12.471 17.580 1.00 93.94 C +ATOM 29 CG PRO A 5 -12.202 -13.607 16.852 1.00 91.54 C +ATOM 30 CD PRO A 5 -13.432 -13.930 17.672 1.00 93.40 C +HETATM 31 N HYP A 6 -12.546 -9.428 17.206 1.00 92.67 N +HETATM 32 CA HYP A 6 -12.736 -8.321 16.213 1.00 93.75 C +HETATM 33 C HYP A 6 -12.314 -8.716 14.836 1.00 92.89 C +HETATM 34 O HYP A 6 -11.379 -9.550 14.676 1.00 92.48 O +HETATM 35 CB HYP A 6 -11.805 -7.227 16.801 1.00 84.43 C +HETATM 36 CG HYP A 6 -11.670 -7.526 18.286 1.00 85.84 C +HETATM 37 CD HYP A 6 -11.681 -9.039 18.300 1.00 87.17 C +HETATM 38 OD1 HYP A 6 -12.770 -7.019 19.005 1.00 88.98 O +ATOM 39 N GLY A 7 -12.957 -8.150 13.806 1.00 93.41 N +ATOM 40 CA GLY A 7 -12.612 -8.425 12.435 1.00 92.36 C +ATOM 41 C GLY A 7 -11.251 -7.844 12.084 1.00 92.00 C +ATOM 42 O GLY A 7 -10.690 -7.047 12.840 1.00 91.58 O +ATOM 43 N PRO A 8 -10.716 -8.217 10.926 1.00 93.70 N +ATOM 44 CA PRO A 8 -9.402 -7.728 10.511 1.00 93.46 C +ATOM 45 C PRO A 8 -9.451 -6.261 10.116 1.00 93.21 C +ATOM 46 O PRO A 8 -10.488 -5.749 9.713 1.00 92.09 O +ATOM 47 CB PRO A 8 -9.052 -8.622 9.325 1.00 92.16 C +ATOM 48 CG PRO A 8 -10.388 -8.961 8.754 1.00 91.40 C +ATOM 49 CD PRO A 8 -11.284 -9.134 9.966 1.00 93.22 C +HETATM 50 N HYP A 9 -8.348 -5.578 10.201 1.00 90.88 N +HETATM 51 CA HYP A 9 -8.221 -4.208 9.762 1.00 89.39 C +HETATM 52 C HYP A 9 -8.441 -4.077 8.303 1.00 89.49 C +HETATM 53 O HYP A 9 -8.137 -5.005 7.528 1.00 86.82 O +HETATM 54 CB HYP A 9 -6.730 -3.858 10.127 1.00 86.77 C +HETATM 55 CG HYP A 9 -6.384 -4.794 11.248 1.00 84.85 C +HETATM 56 CD HYP A 9 -7.144 -6.034 10.875 1.00 88.19 C +HETATM 57 OD1 HYP A 9 -6.870 -4.299 12.474 1.00 84.13 O +ATOM 58 N GLY A 10 -8.897 -2.903 7.847 1.00 90.50 N +ATOM 59 CA GLY A 10 -9.093 -2.642 6.446 1.00 88.45 C +ATOM 60 C GLY A 10 -7.769 -2.614 5.696 1.00 87.56 C +ATOM 61 O GLY A 10 -6.699 -2.451 6.287 1.00 85.40 O +ATOM 62 N CYS A 11 -7.850 -2.772 4.370 1.00 91.04 N +ATOM 63 CA CYS A 11 -6.654 -2.764 3.535 1.00 91.43 C +ATOM 64 C CYS A 11 -6.112 -1.349 3.377 1.00 91.34 C +ATOM 65 O CYS A 11 -6.871 -0.386 3.303 1.00 88.49 O +ATOM 66 CB CYS A 11 -6.968 -3.351 2.164 1.00 88.54 C +ATOM 67 SG CYS A 11 -7.461 -5.079 2.236 1.00 81.59 S +ATOM 68 N LYS A 12 -4.782 -1.227 3.313 1.00 87.54 N +ATOM 69 CA LYS A 12 -4.147 0.062 3.094 1.00 87.30 C +ATOM 70 C LYS A 12 -4.422 0.494 1.652 1.00 87.75 C +ATOM 71 O LYS A 12 -4.462 -0.342 0.753 1.00 85.53 O +ATOM 72 CB LYS A 12 -2.636 -0.045 3.350 1.00 82.88 C +ATOM 73 CG LYS A 12 -1.888 1.278 3.227 1.00 78.00 C +ATOM 74 CD LYS A 12 -0.411 1.119 3.553 1.00 74.05 C +ATOM 75 CE LYS A 12 0.335 2.436 3.426 1.00 69.99 C +ATOM 76 NZ LYS A 12 1.775 2.285 3.744 1.00 65.74 N +ATOM 77 N GLY A 13 -4.624 1.796 1.466 1.00 88.66 N +ATOM 78 CA GLY A 13 -4.882 2.307 0.132 1.00 87.20 C +ATOM 79 C GLY A 13 -3.697 2.143 -0.789 1.00 88.01 C +ATOM 80 O GLY A 13 -2.573 1.891 -0.339 1.00 88.27 O +ATOM 81 N PRO A 14 -3.912 2.292 -2.108 1.00 89.13 N +ATOM 82 CA PRO A 14 -2.826 2.128 -3.073 1.00 90.67 C +ATOM 83 C PRO A 14 -1.823 3.266 -2.989 1.00 90.72 C +ATOM 84 O PRO A 14 -2.144 4.367 -2.557 1.00 90.34 O +ATOM 85 CB PRO A 14 -3.546 2.122 -4.421 1.00 89.78 C +ATOM 86 CG PRO A 14 -4.756 2.954 -4.172 1.00 87.83 C +ATOM 87 CD PRO A 14 -5.175 2.598 -2.761 1.00 88.48 C +HETATM 88 N HYP A 15 -0.610 3.013 -3.442 1.00 82.48 N +HETATM 89 CA HYP A 15 0.440 4.016 -3.502 1.00 79.95 C +HETATM 90 C HYP A 15 0.080 5.160 -4.461 1.00 86.85 C +HETATM 91 O HYP A 15 -0.684 4.933 -5.418 1.00 78.13 O +HETATM 92 CB HYP A 15 1.626 3.204 -4.057 1.00 80.85 C +HETATM 93 CG HYP A 15 1.335 1.775 -3.679 1.00 79.90 C +HETATM 94 CD HYP A 15 -0.147 1.697 -3.788 1.00 83.04 C +HETATM 95 OD1 HYP A 15 1.732 1.515 -2.362 1.00 82.43 O +ATOM 96 N GLY A 16 0.565 6.313 -4.177 1.00 90.14 N +ATOM 97 CA GLY A 16 0.341 7.420 -5.068 1.00 87.79 C +ATOM 98 C GLY A 16 1.149 7.241 -6.345 1.00 87.53 C +ATOM 99 O GLY A 16 2.019 6.374 -6.427 1.00 88.64 O +ATOM 100 N PRO A 17 0.866 8.074 -7.364 1.00 88.52 N +ATOM 101 CA PRO A 17 1.592 7.963 -8.627 1.00 88.56 C +ATOM 102 C PRO A 17 3.036 8.425 -8.487 1.00 88.82 C +ATOM 103 O PRO A 17 3.364 9.214 -7.612 1.00 89.38 O +ATOM 104 CB PRO A 17 0.805 8.864 -9.571 1.00 87.00 C +ATOM 105 CG PRO A 17 0.218 9.882 -8.649 1.00 83.81 C +ATOM 106 CD PRO A 17 -0.141 9.112 -7.409 1.00 84.39 C +HETATM 107 N HYP A 18 3.893 7.954 -9.375 1.00 84.45 N +HETATM 108 CA HYP A 18 5.291 8.367 -9.400 1.00 90.47 C +HETATM 109 C HYP A 18 5.434 9.868 -9.748 1.00 85.55 C +HETATM 110 O HYP A 18 4.577 10.439 -10.457 1.00 86.62 O +HETATM 111 CB HYP A 18 5.856 7.543 -10.552 1.00 84.52 C +HETATM 112 CG HYP A 18 4.984 6.325 -10.673 1.00 81.83 C +HETATM 113 CD HYP A 18 3.624 6.883 -10.309 1.00 86.45 C +HETATM 114 OD1 HYP A 18 5.359 5.345 -9.746 1.00 88.11 O +ATOM 115 N GLY A 19 6.438 10.509 -9.209 1.00 90.02 N +ATOM 116 CA GLY A 19 6.693 11.887 -9.512 1.00 89.06 C +ATOM 117 C GLY A 19 7.206 12.031 -10.936 1.00 89.12 C +ATOM 118 O GLY A 19 7.544 11.043 -11.587 1.00 88.67 O +ATOM 119 N PRO A 20 7.274 13.270 -11.438 1.00 90.71 N +ATOM 120 CA PRO A 20 7.751 13.494 -12.795 1.00 89.88 C +ATOM 121 C PRO A 20 9.253 13.248 -12.907 1.00 89.51 C +ATOM 122 O PRO A 20 9.975 13.304 -11.912 1.00 88.77 O +ATOM 123 CB PRO A 20 7.397 14.959 -13.051 1.00 87.21 C +ATOM 124 CG PRO A 20 7.454 15.564 -11.693 1.00 83.69 C +ATOM 125 CD PRO A 20 6.893 14.507 -10.775 1.00 85.58 C +HETATM 126 N HYP A 21 9.748 12.975 -14.112 1.00 90.66 N +HETATM 127 CA HYP A 21 11.181 12.822 -14.361 1.00 89.19 C +HETATM 128 C HYP A 21 11.984 14.082 -14.055 1.00 86.69 C +HETATM 129 O HYP A 21 11.448 15.181 -14.161 1.00 91.96 O +HETATM 130 CB HYP A 21 11.213 12.554 -15.880 1.00 86.97 C +HETATM 131 CG HYP A 21 9.875 11.918 -16.206 1.00 83.73 C +HETATM 132 CD HYP A 21 8.936 12.640 -15.274 1.00 88.73 C +HETATM 133 OD1 HYP A 21 9.869 10.554 -15.888 1.00 89.44 O +ATOM 134 N GLY A 22 13.205 13.941 -13.609 1.00 91.94 N +ATOM 135 CA GLY A 22 14.057 15.066 -13.320 1.00 91.18 C +ATOM 136 C GLY A 22 14.408 15.813 -14.594 1.00 91.00 C +ATOM 137 O GLY A 22 14.112 15.353 -15.698 1.00 89.23 O +ATOM 138 N PRO A 23 15.072 16.965 -14.483 1.00 93.33 N +ATOM 139 CA PRO A 23 15.443 17.744 -15.666 1.00 92.88 C +ATOM 140 C PRO A 23 16.481 17.007 -16.496 1.00 92.24 C +ATOM 141 O PRO A 23 17.271 16.215 -15.971 1.00 89.83 O +ATOM 142 CB PRO A 23 15.985 19.043 -15.090 1.00 90.54 C +ATOM 143 CG PRO A 23 16.497 18.636 -13.746 1.00 88.51 C +ATOM 144 CD PRO A 23 15.517 17.604 -13.264 1.00 90.58 C +HETATM 145 N HYP A 24 16.600 17.269 -17.802 1.00 92.39 N +HETATM 146 CA HYP A 24 17.540 16.575 -18.633 1.00 89.91 C +HETATM 147 C HYP A 24 18.978 16.750 -18.229 1.00 90.46 C +HETATM 148 O HYP A 24 19.276 17.773 -17.618 1.00 90.73 O +HETATM 149 CB HYP A 24 17.319 17.214 -20.065 1.00 90.58 C +HETATM 150 CG HYP A 24 15.961 17.814 -20.018 1.00 88.65 C +HETATM 151 CD HYP A 24 15.782 18.214 -18.537 1.00 90.81 C +HETATM 152 OD1 HYP A 24 15.010 16.852 -20.352 1.00 86.78 O +HETATM 153 OXT HYP A 24 19.796 15.864 -18.582 1.00 86.15 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_427.txt b/protein_pdb_427.txt new file mode 100644 index 0000000000000000000000000000000000000000..a3df2abe68e2a3bb53431b3f7d5cddf13452e5a9 --- /dev/null +++ b/protein_pdb_427.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 10.879 -5.687 -8.401 1.00 73.74 N +ATOM 2 CA GLY A 1 10.142 -4.557 -8.938 1.00 76.70 C +ATOM 3 C GLY A 1 9.911 -3.512 -7.878 1.00 79.40 C +ATOM 4 O GLY A 1 10.308 -3.692 -6.731 1.00 76.31 O +ATOM 5 N PRO A 2 9.268 -2.424 -8.244 1.00 77.31 N +ATOM 6 CA PRO A 2 9.021 -1.350 -7.295 1.00 80.27 C +ATOM 7 C PRO A 2 7.991 -1.736 -6.248 1.00 80.91 C +ATOM 8 O PRO A 2 7.232 -2.678 -6.418 1.00 78.17 O +ATOM 9 CB PRO A 2 8.516 -0.210 -8.175 1.00 76.33 C +ATOM 10 CG PRO A 2 7.874 -0.909 -9.321 1.00 71.02 C +ATOM 11 CD PRO A 2 8.741 -2.114 -9.576 1.00 70.49 C +HETATM 12 N HYP A 3 8.022 -1.038 -5.194 1.00 80.67 N +HETATM 13 CA HYP A 3 7.000 -1.229 -4.142 1.00 75.45 C +HETATM 14 C HYP A 3 5.620 -0.986 -4.675 1.00 83.67 C +HETATM 15 O HYP A 3 5.433 -0.192 -5.632 1.00 85.01 O +HETATM 16 CB HYP A 3 7.398 -0.145 -3.115 1.00 79.26 C +HETATM 17 CG HYP A 3 8.900 0.006 -3.315 1.00 72.30 C +HETATM 18 CD HYP A 3 9.031 -0.076 -4.861 1.00 79.70 C +HETATM 19 OD1 HYP A 3 9.550 -1.092 -2.745 1.00 81.06 O +ATOM 20 N GLY A 4 4.670 -1.687 -4.116 1.00 85.44 N +ATOM 21 CA GLY A 4 3.304 -1.534 -4.529 1.00 84.75 C +ATOM 22 C GLY A 4 2.777 -0.171 -4.132 1.00 85.62 C +ATOM 23 O GLY A 4 3.436 0.581 -3.418 1.00 85.90 O +ATOM 24 N PRO A 5 1.587 0.148 -4.595 1.00 86.41 N +ATOM 25 CA PRO A 5 0.992 1.436 -4.271 1.00 86.17 C +ATOM 26 C PRO A 5 0.556 1.500 -2.819 1.00 86.50 C +ATOM 27 O PRO A 5 0.411 0.483 -2.155 1.00 84.89 O +ATOM 28 CB PRO A 5 -0.193 1.526 -5.227 1.00 83.81 C +ATOM 29 CG PRO A 5 -0.576 0.105 -5.447 1.00 81.83 C +ATOM 30 CD PRO A 5 0.720 -0.648 -5.473 1.00 83.17 C +HETATM 31 N HYP A 6 0.374 2.710 -2.353 1.00 86.07 N +HETATM 32 CA HYP A 6 -0.148 2.889 -1.013 1.00 90.25 C +HETATM 33 C HYP A 6 -1.490 2.255 -0.849 1.00 87.69 C +HETATM 34 O HYP A 6 -2.281 2.201 -1.825 1.00 87.28 O +HETATM 35 CB HYP A 6 -0.255 4.436 -0.914 1.00 83.60 C +HETATM 36 CG HYP A 6 0.824 4.925 -1.853 1.00 81.93 C +HETATM 37 CD HYP A 6 0.696 3.953 -3.013 1.00 86.01 C +HETATM 38 OD1 HYP A 6 2.085 4.770 -1.242 1.00 83.65 O +ATOM 39 N GLY A 7 -1.735 1.730 0.320 1.00 86.81 N +ATOM 40 CA GLY A 7 -2.996 1.112 0.606 1.00 84.96 C +ATOM 41 C GLY A 7 -4.114 2.139 0.613 1.00 85.50 C +ATOM 42 O GLY A 7 -3.874 3.341 0.483 1.00 84.63 O +ATOM 43 N PRO A 8 -5.331 1.666 0.758 1.00 85.60 N +ATOM 44 CA PRO A 8 -6.466 2.579 0.760 1.00 85.46 C +ATOM 45 C PRO A 8 -6.518 3.408 2.029 1.00 85.51 C +ATOM 46 O PRO A 8 -5.998 3.022 3.067 1.00 81.99 O +ATOM 47 CB PRO A 8 -7.667 1.643 0.650 1.00 81.94 C +ATOM 48 CG PRO A 8 -7.195 0.394 1.298 1.00 80.61 C +ATOM 49 CD PRO A 8 -5.745 0.276 0.911 1.00 81.15 C +HETATM 50 N HYP A 9 -7.167 4.549 1.934 1.00 82.68 N +HETATM 51 CA HYP A 9 -7.331 5.377 3.071 1.00 83.69 C +HETATM 52 C HYP A 9 -8.267 4.741 4.049 1.00 82.39 C +HETATM 53 O HYP A 9 -9.154 3.957 3.668 1.00 82.02 O +HETATM 54 CB HYP A 9 -8.029 6.641 2.482 1.00 78.38 C +HETATM 55 CG HYP A 9 -7.689 6.627 1.028 1.00 76.53 C +HETATM 56 CD HYP A 9 -7.639 5.191 0.678 1.00 83.37 C +HETATM 57 OD1 HYP A 9 -6.418 7.181 0.845 1.00 77.98 O +ATOM 58 N GLY A 10 -8.106 5.009 5.305 1.00 82.88 N +ATOM 59 CA GLY A 10 -9.094 4.612 6.276 1.00 78.85 C +ATOM 60 C GLY A 10 -10.263 5.568 6.146 1.00 79.74 C +ATOM 61 O GLY A 10 -10.295 6.426 5.262 1.00 77.22 O +ATOM 62 N VAL A 11 -11.201 5.448 7.015 1.00 84.46 N +ATOM 63 CA VAL A 11 -12.317 6.384 6.996 1.00 87.63 C +ATOM 64 C VAL A 11 -11.750 7.712 7.488 1.00 87.57 C +ATOM 65 O VAL A 11 -11.470 7.880 8.669 1.00 85.62 O +ATOM 66 CB VAL A 11 -13.458 5.896 7.906 1.00 84.99 C +ATOM 67 CG1 VAL A 11 -14.567 6.936 7.948 1.00 78.11 C +ATOM 68 CG2 VAL A 11 -14.002 4.566 7.390 1.00 80.32 C +ATOM 69 N ASP A 12 -11.544 8.621 6.565 1.00 78.07 N +ATOM 70 CA ASP A 12 -10.885 9.896 6.844 1.00 81.88 C +ATOM 71 C ASP A 12 -9.506 9.685 7.463 1.00 82.84 C +ATOM 72 O ASP A 12 -9.092 10.438 8.336 1.00 77.40 O +ATOM 73 CB ASP A 12 -11.758 10.780 7.736 1.00 79.01 C +ATOM 74 CG ASP A 12 -13.015 11.249 7.010 1.00 72.55 C +ATOM 75 OD1 ASP A 12 -14.115 10.984 7.513 1.00 71.04 O +ATOM 76 OD2 ASP A 12 -12.881 11.872 5.943 1.00 69.73 O +ATOM 77 N GLY A 13 -8.810 8.669 6.989 1.00 85.56 N +ATOM 78 CA GLY A 13 -7.492 8.360 7.508 1.00 83.00 C +ATOM 79 C GLY A 13 -6.452 8.345 6.410 1.00 83.31 C +ATOM 80 O GLY A 13 -6.777 8.462 5.229 1.00 83.54 O +ATOM 81 N PRO A 14 -5.195 8.209 6.786 1.00 86.13 N +ATOM 82 CA PRO A 14 -4.123 8.206 5.810 1.00 85.87 C +ATOM 83 C PRO A 14 -4.110 6.926 4.989 1.00 86.32 C +ATOM 84 O PRO A 14 -4.681 5.913 5.385 1.00 83.25 O +ATOM 85 CB PRO A 14 -2.861 8.328 6.665 1.00 83.04 C +ATOM 86 CG PRO A 14 -3.240 7.668 7.941 1.00 80.87 C +ATOM 87 CD PRO A 14 -4.676 8.051 8.154 1.00 80.43 C +HETATM 88 N HYP A 15 -3.466 7.016 3.885 1.00 88.18 N +HETATM 89 CA HYP A 15 -3.254 5.832 3.069 1.00 89.65 C +HETATM 90 C HYP A 15 -2.443 4.809 3.781 1.00 91.35 C +HETATM 91 O HYP A 15 -1.649 5.159 4.681 1.00 88.41 O +HETATM 92 CB HYP A 15 -2.498 6.432 1.867 1.00 83.21 C +HETATM 93 CG HYP A 15 -2.950 7.874 1.822 1.00 79.49 C +HETATM 94 CD HYP A 15 -3.030 8.242 3.275 1.00 87.82 C +HETATM 95 OD1 HYP A 15 -4.206 7.984 1.230 1.00 86.24 O +ATOM 96 N GLY A 16 -2.667 3.591 3.445 1.00 91.24 N +ATOM 97 CA GLY A 16 -1.905 2.526 4.027 1.00 90.39 C +ATOM 98 C GLY A 16 -0.480 2.556 3.503 1.00 91.23 C +ATOM 99 O GLY A 16 -0.137 3.358 2.630 1.00 90.67 O +ATOM 100 N PRO A 17 0.360 1.680 4.038 1.00 88.22 N +ATOM 101 CA PRO A 17 1.747 1.646 3.600 1.00 87.86 C +ATOM 102 C PRO A 17 1.873 1.077 2.199 1.00 88.92 C +ATOM 103 O PRO A 17 0.983 0.396 1.707 1.00 86.86 O +ATOM 104 CB PRO A 17 2.421 0.749 4.639 1.00 85.52 C +ATOM 105 CG PRO A 17 1.324 -0.143 5.100 1.00 84.91 C +ATOM 106 CD PRO A 17 0.087 0.708 5.093 1.00 85.65 C +HETATM 107 N HYP A 18 2.991 1.374 1.556 1.00 83.95 N +HETATM 108 CA HYP A 18 3.263 0.794 0.285 1.00 89.47 C +HETATM 109 C HYP A 18 3.302 -0.688 0.329 1.00 84.85 C +HETATM 110 O HYP A 18 3.665 -1.271 1.375 1.00 87.68 O +HETATM 111 CB HYP A 18 4.644 1.358 -0.063 1.00 83.20 C +HETATM 112 CG HYP A 18 4.689 2.675 0.673 1.00 82.96 C +HETATM 113 CD HYP A 18 3.973 2.327 1.968 1.00 88.46 C +HETATM 114 OD1 HYP A 18 3.941 3.652 -0.030 1.00 85.84 O +ATOM 115 N GLY A 19 2.920 -1.308 -0.741 1.00 87.32 N +ATOM 116 CA GLY A 19 2.970 -2.736 -0.838 1.00 86.36 C +ATOM 117 C GLY A 19 4.405 -3.212 -0.893 1.00 87.02 C +ATOM 118 O GLY A 19 5.340 -2.417 -0.998 1.00 86.33 O +ATOM 119 N PRO A 20 4.592 -4.512 -0.823 1.00 80.91 N +ATOM 120 CA PRO A 20 5.935 -5.064 -0.869 1.00 80.48 C +ATOM 121 C PRO A 20 6.543 -4.921 -2.250 1.00 80.41 C +ATOM 122 O PRO A 20 5.842 -4.715 -3.234 1.00 78.93 O +ATOM 123 CB PRO A 20 5.724 -6.524 -0.493 1.00 77.94 C +ATOM 124 CG PRO A 20 4.334 -6.809 -0.941 1.00 75.58 C +ATOM 125 CD PRO A 20 3.571 -5.540 -0.686 1.00 75.82 C +HETATM 126 N HYP A 21 7.843 -5.023 -2.300 1.00 85.06 N +HETATM 127 CA HYP A 21 8.512 -4.988 -3.567 1.00 85.49 C +HETATM 128 C HYP A 21 8.042 -6.066 -4.524 1.00 84.39 C +HETATM 129 O HYP A 21 7.681 -7.148 -4.062 1.00 88.17 O +HETATM 130 CB HYP A 21 9.979 -5.213 -3.213 1.00 82.50 C +HETATM 131 CG HYP A 21 10.097 -4.707 -1.788 1.00 77.99 C +HETATM 132 CD HYP A 21 8.780 -5.117 -1.185 1.00 84.65 C +HETATM 133 OD1 HYP A 21 10.138 -3.271 -1.772 1.00 82.22 O +ATOM 134 N GLY A 22 7.927 -5.733 -5.775 1.00 82.04 N +ATOM 135 CA GLY A 22 7.518 -6.690 -6.755 1.00 79.38 C +ATOM 136 C GLY A 22 8.623 -7.709 -6.980 1.00 79.60 C +ATOM 137 O GLY A 22 9.694 -7.623 -6.380 1.00 78.76 O +ATOM 138 N PRO A 23 8.383 -8.674 -7.851 1.00 81.53 N +ATOM 139 CA PRO A 23 9.393 -9.688 -8.116 1.00 82.38 C +ATOM 140 C PRO A 23 10.598 -9.077 -8.794 1.00 82.04 C +ATOM 141 O PRO A 23 10.517 -8.030 -9.426 1.00 77.57 O +ATOM 142 CB PRO A 23 8.673 -10.685 -9.013 1.00 77.42 C +ATOM 143 CG PRO A 23 7.613 -9.875 -9.675 1.00 73.77 C +ATOM 144 CD PRO A 23 7.177 -8.881 -8.634 1.00 75.12 C +HETATM 145 N HYP A 24 11.693 -9.658 -8.737 1.00 86.69 N +HETATM 146 CA HYP A 24 12.885 -9.070 -9.319 1.00 82.71 C +HETATM 147 C HYP A 24 12.724 -8.154 -10.425 1.00 81.86 C +HETATM 148 O HYP A 24 13.365 -8.254 -11.470 1.00 74.74 O +HETATM 149 CB HYP A 24 13.848 -10.205 -9.420 1.00 79.33 C +HETATM 150 CG HYP A 24 13.384 -11.251 -8.434 1.00 77.41 C +HETATM 151 CD HYP A 24 11.874 -11.038 -8.358 1.00 83.48 C +HETATM 152 OD1 HYP A 24 13.921 -10.985 -7.137 1.00 79.72 O +HETATM 153 OXT HYP A 24 11.924 -7.232 -10.219 1.00 75.96 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_428.txt b/protein_pdb_428.txt new file mode 100644 index 0000000000000000000000000000000000000000..c680caf5cb9951faa174ee716ecfa305d12eeae1 --- /dev/null +++ b/protein_pdb_428.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 4.052 -16.106 0.714 1.00 89.10 N +ATOM 2 CA GLY A 1 4.274 -15.403 -0.509 1.00 88.93 C +ATOM 3 C GLY A 1 4.892 -14.033 -0.310 1.00 88.92 C +ATOM 4 O GLY A 1 5.025 -13.557 0.817 1.00 87.00 O +ATOM 5 N PRO A 2 5.246 -13.388 -1.378 1.00 90.22 N +ATOM 6 CA PRO A 2 5.884 -12.085 -1.317 1.00 90.28 C +ATOM 7 C PRO A 2 4.883 -10.967 -1.074 1.00 89.84 C +ATOM 8 O PRO A 2 3.673 -11.171 -1.135 1.00 87.78 O +ATOM 9 CB PRO A 2 6.522 -11.963 -2.701 1.00 87.14 C +ATOM 10 CG PRO A 2 5.594 -12.731 -3.575 1.00 83.42 C +ATOM 11 CD PRO A 2 5.103 -13.884 -2.742 1.00 86.12 C +HETATM 12 N HYP A 3 5.434 -9.801 -0.807 1.00 90.66 N +HETATM 13 CA HYP A 3 4.564 -8.616 -0.641 1.00 89.65 C +HETATM 14 C HYP A 3 3.755 -8.332 -1.887 1.00 91.78 C +HETATM 15 O HYP A 3 4.211 -8.627 -3.009 1.00 93.01 O +HETATM 16 CB HYP A 3 5.615 -7.477 -0.382 1.00 90.38 C +HETATM 17 CG HYP A 3 6.798 -8.214 0.229 1.00 87.06 C +HETATM 18 CD HYP A 3 6.814 -9.563 -0.543 1.00 89.92 C +HETATM 19 OD1 HYP A 3 6.507 -8.452 1.565 1.00 88.22 O +ATOM 20 N GLY A 4 2.564 -7.848 -1.690 1.00 92.32 N +ATOM 21 CA GLY A 4 1.727 -7.476 -2.796 1.00 91.69 C +ATOM 22 C GLY A 4 2.242 -6.224 -3.488 1.00 91.81 C +ATOM 23 O GLY A 4 3.173 -5.570 -3.014 1.00 91.76 O +ATOM 24 N PRO A 5 1.645 -5.872 -4.623 1.00 89.62 N +ATOM 25 CA PRO A 5 2.079 -4.699 -5.364 1.00 89.48 C +ATOM 26 C PRO A 5 1.704 -3.412 -4.651 1.00 89.33 C +ATOM 27 O PRO A 5 0.834 -3.392 -3.785 1.00 88.10 O +ATOM 28 CB PRO A 5 1.349 -4.829 -6.689 1.00 87.32 C +ATOM 29 CG PRO A 5 0.123 -5.601 -6.353 1.00 85.46 C +ATOM 30 CD PRO A 5 0.529 -6.558 -5.264 1.00 88.09 C +HETATM 31 N HYP A 6 2.404 -2.326 -5.027 1.00 91.68 N +HETATM 32 CA HYP A 6 2.034 -1.011 -4.521 1.00 93.25 C +HETATM 33 C HYP A 6 0.620 -0.640 -4.855 1.00 92.98 C +HETATM 34 O HYP A 6 0.081 -1.070 -5.903 1.00 93.67 O +HETATM 35 CB HYP A 6 3.029 -0.083 -5.261 1.00 90.15 C +HETATM 36 CG HYP A 6 4.208 -0.970 -5.538 1.00 87.96 C +HETATM 37 CD HYP A 6 3.561 -2.286 -5.860 1.00 90.92 C +HETATM 38 OD1 HYP A 6 4.979 -1.073 -4.374 1.00 88.28 O +ATOM 39 N GLY A 7 -0.014 0.052 -3.979 1.00 92.81 N +ATOM 40 CA GLY A 7 -1.344 0.533 -4.226 1.00 91.96 C +ATOM 41 C GLY A 7 -1.360 1.556 -5.336 1.00 92.13 C +ATOM 42 O GLY A 7 -0.319 2.043 -5.779 1.00 91.53 O +ATOM 43 N PRO A 8 -2.545 1.884 -5.813 1.00 92.21 N +ATOM 44 CA PRO A 8 -2.657 2.859 -6.889 1.00 91.75 C +ATOM 45 C PRO A 8 -2.361 4.269 -6.392 1.00 91.21 C +ATOM 46 O PRO A 8 -2.439 4.562 -5.202 1.00 89.66 O +ATOM 47 CB PRO A 8 -4.108 2.719 -7.345 1.00 89.55 C +ATOM 48 CG PRO A 8 -4.815 2.249 -6.139 1.00 88.96 C +ATOM 49 CD PRO A 8 -3.839 1.372 -5.396 1.00 90.72 C +HETATM 50 N HYP A 9 -2.024 5.156 -7.341 1.00 92.45 N +HETATM 51 CA HYP A 9 -1.805 6.538 -7.007 1.00 91.77 C +HETATM 52 C HYP A 9 -3.063 7.198 -6.531 1.00 90.87 C +HETATM 53 O HYP A 9 -4.170 6.884 -6.970 1.00 91.29 O +HETATM 54 CB HYP A 9 -1.455 7.165 -8.399 1.00 89.22 C +HETATM 55 CG HYP A 9 -0.934 6.048 -9.173 1.00 87.86 C +HETATM 56 CD HYP A 9 -1.714 4.871 -8.737 1.00 90.83 C +HETATM 57 OD1 HYP A 9 0.423 5.865 -8.847 1.00 87.11 O +ATOM 58 N GLY A 10 -2.977 8.091 -5.598 1.00 90.77 N +ATOM 59 CA GLY A 10 -4.064 8.963 -5.249 1.00 88.87 C +ATOM 60 C GLY A 10 -4.253 10.011 -6.323 1.00 89.71 C +ATOM 61 O GLY A 10 -3.497 10.090 -7.290 1.00 89.50 O +ATOM 62 N TRP A 11 -5.259 10.866 -6.134 1.00 89.15 N +ATOM 63 CA TRP A 11 -5.537 11.878 -7.156 1.00 89.99 C +ATOM 64 C TRP A 11 -4.333 12.775 -7.435 1.00 88.93 C +ATOM 65 O TRP A 11 -4.198 13.287 -8.537 1.00 88.05 O +ATOM 66 CB TRP A 11 -6.756 12.717 -6.752 1.00 88.87 C +ATOM 67 CG TRP A 11 -6.582 13.519 -5.498 1.00 83.65 C +ATOM 68 CD1 TRP A 11 -6.823 13.103 -4.225 1.00 83.09 C +ATOM 69 CD2 TRP A 11 -6.150 14.888 -5.390 1.00 83.62 C +ATOM 70 NE1 TRP A 11 -6.553 14.104 -3.333 1.00 77.96 N +ATOM 71 CE2 TRP A 11 -6.134 15.218 -4.016 1.00 81.45 C +ATOM 72 CE3 TRP A 11 -5.771 15.853 -6.325 1.00 77.76 C +ATOM 73 CZ2 TRP A 11 -5.750 16.482 -3.554 1.00 83.72 C +ATOM 74 CZ3 TRP A 11 -5.385 17.103 -5.864 1.00 76.77 C +ATOM 75 CH2 TRP A 11 -5.381 17.403 -4.505 1.00 75.37 C +ATOM 76 N ALA A 12 -3.462 12.947 -6.442 1.00 86.44 N +ATOM 77 CA ALA A 12 -2.209 13.671 -6.619 1.00 87.83 C +ATOM 78 C ALA A 12 -1.116 13.048 -5.768 1.00 88.64 C +ATOM 79 O ALA A 12 -0.172 13.722 -5.365 1.00 83.80 O +ATOM 80 CB ALA A 12 -2.386 15.151 -6.271 1.00 83.58 C +ATOM 81 N GLY A 13 -1.231 11.767 -5.483 1.00 93.78 N +ATOM 82 CA GLY A 13 -0.365 11.101 -4.537 1.00 92.59 C +ATOM 83 C GLY A 13 0.366 9.907 -5.111 1.00 92.63 C +ATOM 84 O GLY A 13 0.075 9.443 -6.215 1.00 92.58 O +ATOM 85 N PRO A 14 1.336 9.420 -4.368 1.00 94.34 N +ATOM 86 CA PRO A 14 2.146 8.294 -4.809 1.00 93.88 C +ATOM 87 C PRO A 14 1.412 6.975 -4.659 1.00 93.70 C +ATOM 88 O PRO A 14 0.349 6.897 -4.057 1.00 92.53 O +ATOM 89 CB PRO A 14 3.354 8.357 -3.873 1.00 92.33 C +ATOM 90 CG PRO A 14 2.777 8.883 -2.607 1.00 90.96 C +ATOM 91 CD PRO A 14 1.723 9.883 -3.030 1.00 92.70 C +HETATM 92 N HYP A 15 2.016 5.958 -5.217 1.00 94.18 N +HETATM 93 CA HYP A 15 1.519 4.608 -4.991 1.00 95.07 C +HETATM 94 C HYP A 15 1.451 4.266 -3.549 1.00 95.48 C +HETATM 95 O HYP A 15 2.276 4.773 -2.733 1.00 94.75 O +HETATM 96 CB HYP A 15 2.600 3.752 -5.729 1.00 92.25 C +HETATM 97 CG HYP A 15 3.121 4.668 -6.801 1.00 90.93 C +HETATM 98 CD HYP A 15 3.148 6.001 -6.120 1.00 93.62 C +HETATM 99 OD1 HYP A 15 2.239 4.670 -7.879 1.00 90.95 O +ATOM 100 N GLY A 16 0.529 3.474 -3.187 1.00 94.21 N +ATOM 101 CA GLY A 16 0.464 2.982 -1.843 1.00 93.67 C +ATOM 102 C GLY A 16 1.593 2.014 -1.555 1.00 94.00 C +ATOM 103 O GLY A 16 2.346 1.634 -2.456 1.00 93.63 O +ATOM 104 N PRO A 17 1.717 1.624 -0.306 1.00 94.51 N +ATOM 105 CA PRO A 17 2.771 0.689 0.058 1.00 94.28 C +ATOM 106 C PRO A 17 2.489 -0.706 -0.484 1.00 94.51 C +ATOM 107 O PRO A 17 1.363 -1.023 -0.853 1.00 93.40 O +ATOM 108 CB PRO A 17 2.749 0.714 1.589 1.00 92.94 C +ATOM 109 CG PRO A 17 1.354 1.088 1.923 1.00 91.75 C +ATOM 110 CD PRO A 17 0.896 2.018 0.837 1.00 93.23 C +HETATM 111 N HYP A 18 3.546 -1.508 -0.539 1.00 92.67 N +HETATM 112 CA HYP A 18 3.361 -2.896 -0.903 1.00 94.55 C +HETATM 113 C HYP A 18 2.377 -3.586 -0.016 1.00 93.58 C +HETATM 114 O HYP A 18 2.248 -3.251 1.176 1.00 93.53 O +HETATM 115 CB HYP A 18 4.777 -3.467 -0.747 1.00 90.25 C +HETATM 116 CG HYP A 18 5.698 -2.286 -0.954 1.00 89.62 C +HETATM 117 CD HYP A 18 4.938 -1.146 -0.311 1.00 92.88 C +HETATM 118 OD1 HYP A 18 5.836 -2.033 -2.340 1.00 90.18 O +ATOM 119 N GLY A 19 1.660 -4.495 -0.563 1.00 91.82 N +ATOM 120 CA GLY A 19 0.754 -5.291 0.211 1.00 91.55 C +ATOM 121 C GLY A 19 1.500 -6.184 1.185 1.00 91.72 C +ATOM 122 O GLY A 19 2.720 -6.294 1.142 1.00 92.75 O +ATOM 123 N PRO A 20 0.762 -6.825 2.066 1.00 88.10 N +ATOM 124 CA PRO A 20 1.389 -7.714 3.027 1.00 87.69 C +ATOM 125 C PRO A 20 1.890 -8.985 2.356 1.00 87.02 C +ATOM 126 O PRO A 20 1.489 -9.304 1.244 1.00 87.03 O +ATOM 127 CB PRO A 20 0.264 -8.003 4.013 1.00 84.84 C +ATOM 128 CG PRO A 20 -0.967 -7.864 3.198 1.00 82.44 C +ATOM 129 CD PRO A 20 -0.683 -6.775 2.201 1.00 85.56 C +HETATM 130 N HYP A 21 2.787 -9.665 3.062 1.00 92.15 N +HETATM 131 CA HYP A 21 3.226 -10.953 2.561 1.00 91.08 C +HETATM 132 C HYP A 21 2.083 -11.914 2.332 1.00 91.09 C +HETATM 133 O HYP A 21 1.121 -11.906 3.093 1.00 92.67 O +HETATM 134 CB HYP A 21 4.193 -11.454 3.631 1.00 89.18 C +HETATM 135 CG HYP A 21 4.717 -10.203 4.277 1.00 87.91 C +HETATM 136 CD HYP A 21 3.537 -9.277 4.274 1.00 91.31 C +HETATM 137 OD1 HYP A 21 5.739 -9.645 3.465 1.00 86.96 O +ATOM 138 N GLY A 22 2.155 -12.635 1.239 1.00 88.82 N +ATOM 139 CA GLY A 22 1.160 -13.618 0.936 1.00 86.25 C +ATOM 140 C GLY A 22 1.210 -14.760 1.941 1.00 85.20 C +ATOM 141 O GLY A 22 2.126 -14.844 2.755 1.00 84.76 O +ATOM 142 N PRO A 23 0.237 -15.664 1.885 1.00 91.34 N +ATOM 143 CA PRO A 23 0.248 -16.811 2.788 1.00 90.85 C +ATOM 144 C PRO A 23 1.374 -17.754 2.399 1.00 89.44 C +ATOM 145 O PRO A 23 1.297 -18.405 1.357 1.00 85.86 O +ATOM 146 CB PRO A 23 -1.121 -17.457 2.595 1.00 87.38 C +ATOM 147 CG PRO A 23 -1.823 -16.650 1.575 1.00 84.00 C +ATOM 148 CD PRO A 23 -0.864 -15.685 0.959 1.00 88.28 C +HETATM 149 N HYP A 24 2.438 -17.770 3.035 1.00 91.75 N +HETATM 150 CA HYP A 24 3.801 -18.217 2.530 1.00 85.84 C +HETATM 151 C HYP A 24 4.337 -17.656 1.397 1.00 92.28 C +HETATM 152 O HYP A 24 4.443 -18.395 0.333 1.00 89.33 O +HETATM 153 CB HYP A 24 4.519 -18.550 3.798 1.00 82.79 C +HETATM 154 CG HYP A 24 3.396 -19.041 4.738 1.00 85.78 C +HETATM 155 CD HYP A 24 2.130 -18.282 4.279 1.00 89.62 C +HETATM 156 OD1 HYP A 24 3.669 -18.730 6.087 1.00 85.87 O +HETATM 157 OXT HYP A 24 5.625 -17.245 1.407 1.00 83.48 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_429.txt b/protein_pdb_429.txt new file mode 100644 index 0000000000000000000000000000000000000000..6e008206523966131e328762048e717d2eed2b49 --- /dev/null +++ b/protein_pdb_429.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 10.471 -4.397 -9.817 1.00 76.51 N +ATOM 2 CA GLY A 1 9.777 -3.159 -10.125 1.00 79.44 C +ATOM 3 C GLY A 1 9.633 -2.292 -8.898 1.00 81.13 C +ATOM 4 O GLY A 1 10.046 -2.686 -7.806 1.00 76.97 O +ATOM 5 N PRO A 2 9.043 -1.131 -9.053 1.00 80.41 N +ATOM 6 CA PRO A 2 8.881 -0.219 -7.930 1.00 83.29 C +ATOM 7 C PRO A 2 7.863 -0.726 -6.927 1.00 83.03 C +ATOM 8 O PRO A 2 7.042 -1.588 -7.229 1.00 80.65 O +ATOM 9 CB PRO A 2 8.409 1.078 -8.587 1.00 79.46 C +ATOM 10 CG PRO A 2 7.714 0.619 -9.816 1.00 74.36 C +ATOM 11 CD PRO A 2 8.483 -0.579 -10.290 1.00 74.87 C +HETATM 12 N HYP A 3 7.965 -0.207 -5.770 1.00 81.47 N +HETATM 13 CA HYP A 3 6.939 -0.500 -4.737 1.00 79.55 C +HETATM 14 C HYP A 3 5.578 -0.137 -5.208 1.00 83.05 C +HETATM 15 O HYP A 3 5.403 0.790 -6.028 1.00 87.40 O +HETATM 16 CB HYP A 3 7.400 0.421 -3.582 1.00 81.92 C +HETATM 17 CG HYP A 3 8.878 0.574 -3.778 1.00 78.31 C +HETATM 18 CD HYP A 3 9.014 0.650 -5.310 1.00 83.33 C +HETATM 19 OD1 HYP A 3 9.512 -0.585 -3.313 1.00 82.34 O +ATOM 20 N GLY A 4 4.612 -0.898 -4.741 1.00 86.40 N +ATOM 21 CA GLY A 4 3.242 -0.615 -5.064 1.00 86.25 C +ATOM 22 C GLY A 4 2.779 0.670 -4.411 1.00 87.44 C +ATOM 23 O GLY A 4 3.477 1.248 -3.580 1.00 87.16 O +ATOM 24 N PRO A 5 1.601 1.128 -4.787 1.00 85.50 N +ATOM 25 CA PRO A 5 1.070 2.352 -4.204 1.00 86.78 C +ATOM 26 C PRO A 5 0.652 2.145 -2.761 1.00 86.91 C +ATOM 27 O PRO A 5 0.467 1.016 -2.313 1.00 84.70 O +ATOM 28 CB PRO A 5 -0.125 2.665 -5.094 1.00 83.72 C +ATOM 29 CG PRO A 5 -0.566 1.338 -5.588 1.00 81.95 C +ATOM 30 CD PRO A 5 0.682 0.539 -5.763 1.00 84.13 C +HETATM 31 N HYP A 6 0.513 3.262 -2.064 1.00 85.89 N +HETATM 32 CA HYP A 6 0.010 3.192 -0.699 1.00 90.35 C +HETATM 33 C HYP A 6 -1.354 2.564 -0.650 1.00 85.76 C +HETATM 34 O HYP A 6 -2.162 2.712 -1.600 1.00 85.62 O +HETATM 35 CB HYP A 6 -0.076 4.709 -0.350 1.00 82.74 C +HETATM 36 CG HYP A 6 0.979 5.349 -1.199 1.00 80.42 C +HETATM 37 CD HYP A 6 0.860 4.584 -2.488 1.00 85.25 C +HETATM 38 OD1 HYP A 6 2.242 5.108 -0.622 1.00 83.67 O +ATOM 39 N GLY A 7 -1.585 1.826 0.398 1.00 87.51 N +ATOM 40 CA GLY A 7 -2.873 1.215 0.589 1.00 86.06 C +ATOM 41 C GLY A 7 -3.948 2.256 0.817 1.00 86.72 C +ATOM 42 O GLY A 7 -3.670 3.450 0.954 1.00 85.82 O +ATOM 43 N PRO A 8 -5.186 1.816 0.851 1.00 87.72 N +ATOM 44 CA PRO A 8 -6.286 2.744 1.055 1.00 87.66 C +ATOM 45 C PRO A 8 -6.330 3.245 2.487 1.00 87.61 C +ATOM 46 O PRO A 8 -5.829 2.610 3.405 1.00 84.74 O +ATOM 47 CB PRO A 8 -7.519 1.903 0.728 1.00 84.33 C +ATOM 48 CG PRO A 8 -7.108 0.521 1.073 1.00 84.03 C +ATOM 49 CD PRO A 8 -5.649 0.432 0.706 1.00 86.35 C +HETATM 50 N HYP A 9 -6.969 4.402 2.662 1.00 81.27 N +HETATM 51 CA HYP A 9 -7.164 4.931 3.968 1.00 85.59 C +HETATM 52 C HYP A 9 -8.118 4.063 4.759 1.00 81.75 C +HETATM 53 O HYP A 9 -9.022 3.451 4.169 1.00 83.19 O +HETATM 54 CB HYP A 9 -7.918 6.281 3.699 1.00 78.85 C +HETATM 55 CG HYP A 9 -7.554 6.641 2.295 1.00 77.46 C +HETATM 56 CD HYP A 9 -7.425 5.338 1.614 1.00 82.88 C +HETATM 57 OD1 HYP A 9 -6.294 7.270 2.311 1.00 79.89 O +ATOM 58 N GLY A 10 -7.917 3.935 6.011 1.00 85.03 N +ATOM 59 CA GLY A 10 -8.902 3.314 6.866 1.00 81.43 C +ATOM 60 C GLY A 10 -10.045 4.280 7.098 1.00 82.65 C +ATOM 61 O GLY A 10 -10.053 5.397 6.588 1.00 79.91 O +ATOM 62 N ASP A 11 -11.002 3.856 7.891 1.00 82.54 N +ATOM 63 CA ASP A 11 -12.122 4.744 8.187 1.00 85.86 C +ATOM 64 C ASP A 11 -11.659 6.058 8.793 1.00 85.25 C +ATOM 65 O ASP A 11 -12.209 7.116 8.490 1.00 82.63 O +ATOM 66 CB ASP A 11 -13.098 4.066 9.141 1.00 83.14 C +ATOM 67 CG ASP A 11 -13.867 2.937 8.490 1.00 77.80 C +ATOM 68 OD1 ASP A 11 -14.107 2.989 7.271 1.00 76.99 O +ATOM 69 OD2 ASP A 11 -14.241 1.994 9.215 1.00 75.04 O +ATOM 70 N LEU A 12 -10.658 5.977 9.650 1.00 84.90 N +ATOM 71 CA LEU A 12 -10.105 7.148 10.325 1.00 86.91 C +ATOM 72 C LEU A 12 -8.586 7.083 10.363 1.00 87.13 C +ATOM 73 O LEU A 12 -7.955 7.512 11.329 1.00 81.72 O +ATOM 74 CB LEU A 12 -10.645 7.245 11.756 1.00 82.36 C +ATOM 75 CG LEU A 12 -12.137 7.530 11.905 1.00 74.87 C +ATOM 76 CD1 LEU A 12 -12.562 7.368 13.352 1.00 73.37 C +ATOM 77 CD2 LEU A 12 -12.463 8.943 11.428 1.00 69.57 C +ATOM 78 N GLY A 13 -7.982 6.543 9.319 1.00 85.56 N +ATOM 79 CA GLY A 13 -6.551 6.311 9.349 1.00 84.69 C +ATOM 80 C GLY A 13 -5.843 6.678 8.071 1.00 85.94 C +ATOM 81 O GLY A 13 -6.467 6.929 7.038 1.00 85.74 O +ATOM 82 N PRO A 14 -4.532 6.722 8.140 1.00 88.13 N +ATOM 83 CA PRO A 14 -3.721 7.049 6.985 1.00 87.97 C +ATOM 84 C PRO A 14 -3.700 5.898 5.988 1.00 87.81 C +ATOM 85 O PRO A 14 -4.115 4.788 6.289 1.00 85.26 O +ATOM 86 CB PRO A 14 -2.339 7.278 7.583 1.00 85.21 C +ATOM 87 CG PRO A 14 -2.309 6.376 8.757 1.00 85.15 C +ATOM 88 CD PRO A 14 -3.707 6.416 9.315 1.00 85.23 C +HETATM 89 N HYP A 15 -3.180 6.243 4.862 1.00 85.47 N +HETATM 90 CA HYP A 15 -2.970 5.181 3.869 1.00 88.36 C +HETATM 91 C HYP A 15 -2.074 4.113 4.372 1.00 88.38 C +HETATM 92 O HYP A 15 -1.213 4.385 5.242 1.00 87.80 O +HETATM 93 CB HYP A 15 -2.274 6.004 2.738 1.00 83.18 C +HETATM 94 CG HYP A 15 -2.759 7.431 2.923 1.00 78.55 C +HETATM 95 CD HYP A 15 -2.839 7.565 4.420 1.00 85.22 C +HETATM 96 OD1 HYP A 15 -4.034 7.562 2.373 1.00 83.63 O +ATOM 97 N GLY A 16 -2.295 2.929 3.898 1.00 91.63 N +ATOM 98 CA GLY A 16 -1.435 1.837 4.252 1.00 90.95 C +ATOM 99 C GLY A 16 -0.067 2.000 3.636 1.00 91.94 C +ATOM 100 O GLY A 16 0.178 2.923 2.851 1.00 91.52 O +ATOM 101 N PRO A 17 0.843 1.106 3.996 1.00 89.51 N +ATOM 102 CA PRO A 17 2.192 1.177 3.452 1.00 89.45 C +ATOM 103 C PRO A 17 2.216 0.814 1.981 1.00 90.33 C +ATOM 104 O PRO A 17 1.304 0.176 1.472 1.00 88.42 O +ATOM 105 CB PRO A 17 2.968 0.170 4.292 1.00 87.02 C +ATOM 106 CG PRO A 17 1.944 -0.806 4.717 1.00 86.88 C +ATOM 107 CD PRO A 17 0.680 -0.030 4.904 1.00 88.15 C +HETATM 108 N HYP A 18 3.264 1.233 1.316 1.00 85.79 N +HETATM 109 CA HYP A 18 3.459 0.829 -0.037 1.00 90.96 C +HETATM 110 C HYP A 18 3.500 -0.653 -0.186 1.00 85.97 C +HETATM 111 O HYP A 18 3.944 -1.375 0.732 1.00 88.00 O +HETATM 112 CB HYP A 18 4.831 1.439 -0.360 1.00 86.37 C +HETATM 113 CG HYP A 18 4.946 2.631 0.558 1.00 84.25 C +HETATM 114 CD HYP A 18 4.269 2.127 1.811 1.00 88.63 C +HETATM 115 OD1 HYP A 18 4.198 3.711 0.023 1.00 87.16 O +ATOM 116 N GLY A 19 3.025 -1.126 -1.298 1.00 84.94 N +ATOM 117 CA GLY A 19 3.082 -2.522 -1.597 1.00 84.57 C +ATOM 118 C GLY A 19 4.509 -2.975 -1.832 1.00 85.14 C +ATOM 119 O GLY A 19 5.430 -2.166 -1.907 1.00 84.82 O +ATOM 120 N PRO A 20 4.693 -4.272 -1.943 1.00 82.00 N +ATOM 121 CA PRO A 20 6.021 -4.800 -2.172 1.00 82.27 C +ATOM 122 C PRO A 20 6.508 -4.469 -3.576 1.00 82.34 C +ATOM 123 O PRO A 20 5.719 -4.147 -4.458 1.00 81.34 O +ATOM 124 CB PRO A 20 5.838 -6.306 -1.986 1.00 78.84 C +ATOM 125 CG PRO A 20 4.418 -6.540 -2.334 1.00 76.32 C +ATOM 126 CD PRO A 20 3.679 -5.315 -1.875 1.00 78.51 C +HETATM 127 N HYP A 21 7.800 -4.548 -3.731 1.00 84.96 N +HETATM 128 CA HYP A 21 8.356 -4.362 -5.049 1.00 84.79 C +HETATM 129 C HYP A 21 7.792 -5.304 -6.083 1.00 82.15 C +HETATM 130 O HYP A 21 7.457 -6.446 -5.738 1.00 87.47 O +HETATM 131 CB HYP A 21 9.840 -4.633 -4.848 1.00 82.05 C +HETATM 132 CG HYP A 21 10.089 -4.327 -3.391 1.00 78.45 C +HETATM 133 CD HYP A 21 8.818 -4.779 -2.718 1.00 85.12 C +HETATM 134 OD1 HYP A 21 10.176 -2.902 -3.215 1.00 83.29 O +ATOM 135 N GLY A 22 7.560 -4.801 -7.267 1.00 82.04 N +ATOM 136 CA GLY A 22 7.082 -5.619 -8.344 1.00 79.95 C +ATOM 137 C GLY A 22 8.163 -6.574 -8.818 1.00 79.94 C +ATOM 138 O GLY A 22 9.279 -6.578 -8.304 1.00 78.08 O +ATOM 139 N PRO A 23 7.843 -7.384 -9.812 1.00 82.40 N +ATOM 140 CA PRO A 23 8.832 -8.317 -10.336 1.00 83.65 C +ATOM 141 C PRO A 23 9.983 -7.574 -10.977 1.00 82.80 C +ATOM 142 O PRO A 23 9.847 -6.438 -11.415 1.00 78.28 O +ATOM 143 CB PRO A 23 8.046 -9.144 -11.347 1.00 78.18 C +ATOM 144 CG PRO A 23 6.937 -8.256 -11.753 1.00 75.83 C +ATOM 145 CD PRO A 23 6.585 -7.450 -10.537 1.00 78.38 C +HETATM 146 N HYP A 24 11.082 -8.135 -11.075 1.00 85.17 N +HETATM 147 CA HYP A 24 12.253 -7.440 -11.600 1.00 77.33 C +HETATM 148 C HYP A 24 12.019 -6.241 -12.360 1.00 81.55 C +HETATM 149 O HYP A 24 12.529 -6.059 -13.466 1.00 75.48 O +HETATM 150 CB HYP A 24 13.148 -8.490 -12.072 1.00 79.21 C +HETATM 151 CG HYP A 24 12.721 -9.749 -11.378 1.00 76.56 C +HETATM 152 CD HYP A 24 11.255 -9.540 -11.055 1.00 81.90 C +HETATM 153 OD1 HYP A 24 13.409 -9.887 -10.133 1.00 78.42 O +HETATM 154 OXT HYP A 24 11.314 -5.394 -11.823 1.00 76.16 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_43.txt b/protein_pdb_43.txt new file mode 100644 index 0000000000000000000000000000000000000000..868086de9dcfe755c020c44ab32a7692a151b3fd --- /dev/null +++ b/protein_pdb_43.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -25.886 18.554 13.089 1.00 83.54 N +ATOM 2 CA GLY A 1 -25.077 19.262 12.094 1.00 87.00 C +ATOM 3 C GLY A 1 -24.828 18.425 10.861 1.00 87.80 C +ATOM 4 O GLY A 1 -25.149 17.231 10.838 1.00 84.94 O +ATOM 5 N PRO A 2 -24.243 19.000 9.818 1.00 86.51 N +ATOM 6 CA PRO A 2 -23.968 18.264 8.588 1.00 89.07 C +ATOM 7 C PRO A 2 -22.832 17.262 8.781 1.00 88.81 C +ATOM 8 O PRO A 2 -22.045 17.370 9.713 1.00 87.62 O +ATOM 9 CB PRO A 2 -23.582 19.356 7.591 1.00 86.29 C +ATOM 10 CG PRO A 2 -22.990 20.412 8.448 1.00 81.85 C +ATOM 11 CD PRO A 2 -23.802 20.387 9.724 1.00 83.50 C +HETATM 12 N HYP A 3 -22.821 16.346 7.963 1.00 91.37 N +HETATM 13 CA HYP A 3 -21.695 15.327 7.924 1.00 90.55 C +HETATM 14 C HYP A 3 -20.342 16.009 7.716 1.00 91.57 C +HETATM 15 O HYP A 3 -20.241 17.056 7.050 1.00 91.12 O +HETATM 16 CB HYP A 3 -22.073 14.463 6.744 1.00 89.46 C +HETATM 17 CG HYP A 3 -23.580 14.618 6.563 1.00 88.52 C +HETATM 18 CD HYP A 3 -23.793 16.095 6.927 1.00 90.27 C +HETATM 19 OD1 HYP A 3 -24.304 13.811 7.440 1.00 90.15 O +ATOM 20 N GLY A 4 -19.305 15.459 8.331 1.00 93.04 N +ATOM 21 CA GLY A 4 -17.972 16.003 8.196 1.00 92.15 C +ATOM 22 C GLY A 4 -17.400 15.736 6.810 1.00 92.22 C +ATOM 23 O GLY A 4 -17.988 15.014 6.003 1.00 91.84 O +ATOM 24 N PRO A 5 -16.234 16.327 6.522 1.00 92.91 N +ATOM 25 CA PRO A 5 -15.605 16.129 5.221 1.00 92.47 C +ATOM 26 C PRO A 5 -15.074 14.707 5.066 1.00 92.60 C +ATOM 27 O PRO A 5 -14.852 14.009 6.047 1.00 91.55 O +ATOM 28 CB PRO A 5 -14.482 17.157 5.204 1.00 90.51 C +ATOM 29 CG PRO A 5 -14.128 17.300 6.646 1.00 88.70 C +ATOM 30 CD PRO A 5 -15.439 17.184 7.384 1.00 89.97 C +HETATM 31 N HYP A 6 -14.900 14.316 3.824 1.00 89.67 N +HETATM 32 CA HYP A 6 -14.238 12.994 3.569 1.00 93.45 C +HETATM 33 C HYP A 6 -12.886 12.883 4.170 1.00 89.19 C +HETATM 34 O HYP A 6 -12.153 13.886 4.277 1.00 88.36 O +HETATM 35 CB HYP A 6 -14.223 12.966 2.033 1.00 86.27 C +HETATM 36 CG HYP A 6 -15.378 13.849 1.594 1.00 84.17 C +HETATM 37 CD HYP A 6 -15.331 14.951 2.625 1.00 87.61 C +HETATM 38 OD1 HYP A 6 -16.616 13.176 1.660 1.00 87.13 O +ATOM 39 N GLY A 7 -12.516 11.684 4.666 1.00 95.01 N +ATOM 40 CA GLY A 7 -11.239 11.442 5.293 1.00 94.16 C +ATOM 41 C GLY A 7 -10.101 11.495 4.291 1.00 94.10 C +ATOM 42 O GLY A 7 -10.318 11.569 3.082 1.00 93.50 O +ATOM 43 N PRO A 8 -8.860 11.434 4.792 1.00 90.00 N +ATOM 44 CA PRO A 8 -7.694 11.463 3.916 1.00 89.96 C +ATOM 45 C PRO A 8 -7.544 10.153 3.149 1.00 89.61 C +ATOM 46 O PRO A 8 -8.117 9.131 3.529 1.00 87.93 O +ATOM 47 CB PRO A 8 -6.536 11.688 4.878 1.00 87.86 C +ATOM 48 CG PRO A 8 -7.006 11.041 6.137 1.00 87.19 C +ATOM 49 CD PRO A 8 -8.483 11.330 6.191 1.00 88.68 C +HETATM 50 N HYP A 9 -6.806 10.162 2.092 1.00 89.58 N +HETATM 51 CA HYP A 9 -6.448 8.959 1.358 1.00 90.79 C +HETATM 52 C HYP A 9 -5.788 7.958 2.205 1.00 88.69 C +HETATM 53 O HYP A 9 -5.030 8.329 3.116 1.00 87.70 O +HETATM 54 CB HYP A 9 -5.471 9.508 0.278 1.00 87.65 C +HETATM 55 CG HYP A 9 -5.865 10.920 0.089 1.00 85.66 C +HETATM 56 CD HYP A 9 -6.283 11.320 1.481 1.00 87.12 C +HETATM 57 OD1 HYP A 9 -6.983 11.028 -0.786 1.00 84.67 O +ATOM 58 N GLY A 10 -5.988 6.671 1.923 1.00 92.50 N +ATOM 59 CA GLY A 10 -5.375 5.606 2.672 1.00 90.25 C +ATOM 60 C GLY A 10 -3.867 5.566 2.468 1.00 90.64 C +ATOM 61 O GLY A 10 -3.317 6.279 1.629 1.00 90.16 O +ATOM 62 N PRO A 11 -3.171 4.707 3.241 1.00 89.84 N +ATOM 63 CA PRO A 11 -1.718 4.618 3.113 1.00 89.23 C +ATOM 64 C PRO A 11 -1.292 3.944 1.815 1.00 89.07 C +ATOM 65 O PRO A 11 -2.029 3.156 1.226 1.00 85.98 O +ATOM 66 CB PRO A 11 -1.305 3.796 4.336 1.00 86.34 C +ATOM 67 CG PRO A 11 -2.495 2.933 4.584 1.00 86.52 C +ATOM 68 CD PRO A 11 -3.685 3.806 4.260 1.00 87.76 C +ATOM 69 N ILE A 12 -0.074 4.262 1.376 1.00 90.24 N +ATOM 70 CA ILE A 12 0.493 3.614 0.200 1.00 89.68 C +ATOM 71 C ILE A 12 0.726 2.146 0.553 1.00 89.54 C +ATOM 72 O ILE A 12 1.069 1.817 1.694 1.00 86.44 O +ATOM 73 CB ILE A 12 1.805 4.309 -0.219 1.00 86.88 C +ATOM 74 CG1 ILE A 12 1.514 5.738 -0.674 1.00 83.02 C +ATOM 75 CG2 ILE A 12 2.514 3.533 -1.324 1.00 80.97 C +ATOM 76 CD1 ILE A 12 2.749 6.580 -0.882 1.00 74.74 C +ATOM 77 N GLY A 13 0.511 1.275 -0.430 1.00 91.32 N +ATOM 78 CA GLY A 13 0.660 -0.153 -0.200 1.00 89.47 C +ATOM 79 C GLY A 13 2.078 -0.568 0.149 1.00 90.21 C +ATOM 80 O GLY A 13 3.021 0.208 0.002 1.00 90.47 O +ATOM 81 N PRO A 14 2.248 -1.816 0.610 1.00 90.83 N +ATOM 82 CA PRO A 14 3.571 -2.311 0.984 1.00 91.37 C +ATOM 83 C PRO A 14 4.449 -2.522 -0.240 1.00 91.42 C +ATOM 84 O PRO A 14 3.967 -2.631 -1.358 1.00 90.77 O +ATOM 85 CB PRO A 14 3.272 -3.634 1.690 1.00 89.54 C +ATOM 86 CG PRO A 14 2.016 -4.092 1.044 1.00 87.99 C +ATOM 87 CD PRO A 14 1.214 -2.834 0.806 1.00 88.61 C +HETATM 88 N HYP A 15 5.755 -2.614 -0.008 1.00 85.48 N +HETATM 89 CA HYP A 15 6.711 -2.893 -1.066 1.00 84.15 C +HETATM 90 C HYP A 15 6.442 -4.261 -1.718 1.00 87.95 C +HETATM 91 O HYP A 15 5.898 -5.158 -1.058 1.00 78.64 O +HETATM 92 CB HYP A 15 8.027 -2.950 -0.279 1.00 85.61 C +HETATM 93 CG HYP A 15 7.783 -2.081 0.923 1.00 80.21 C +HETATM 94 CD HYP A 15 6.364 -2.379 1.233 1.00 83.92 C +HETATM 95 OD1 HYP A 15 7.934 -0.714 0.600 1.00 84.03 O +ATOM 96 N GLY A 16 6.747 -4.381 -2.962 1.00 93.04 N +ATOM 97 CA GLY A 16 6.593 -5.639 -3.636 1.00 91.59 C +ATOM 98 C GLY A 16 7.577 -6.671 -3.104 1.00 92.23 C +ATOM 99 O GLY A 16 8.467 -6.349 -2.309 1.00 91.98 O +ATOM 100 N PRO A 17 7.428 -7.934 -3.529 1.00 85.22 N +ATOM 101 CA PRO A 17 8.324 -8.988 -3.062 1.00 86.06 C +ATOM 102 C PRO A 17 9.729 -8.812 -3.618 1.00 86.32 C +ATOM 103 O PRO A 17 9.930 -8.169 -4.642 1.00 87.03 O +ATOM 104 CB PRO A 17 7.664 -10.267 -3.572 1.00 84.01 C +ATOM 105 CG PRO A 17 6.931 -9.823 -4.791 1.00 80.85 C +ATOM 106 CD PRO A 17 6.425 -8.445 -4.464 1.00 80.73 C +HETATM 107 N HYP A 18 10.718 -9.404 -2.951 1.00 88.55 N +HETATM 108 CA HYP A 18 12.080 -9.376 -3.441 1.00 90.77 C +HETATM 109 C HYP A 18 12.231 -10.021 -4.797 1.00 84.65 C +HETATM 110 O HYP A 18 11.512 -10.983 -5.129 1.00 85.70 O +HETATM 111 CB HYP A 18 12.812 -10.199 -2.371 1.00 84.95 C +HETATM 112 CG HYP A 18 11.984 -10.085 -1.126 1.00 82.99 C +HETATM 113 CD HYP A 18 10.584 -10.039 -1.666 1.00 86.87 C +HETATM 114 OD1 HYP A 18 12.244 -8.883 -0.426 1.00 87.23 O +ATOM 115 N GLY A 19 13.086 -9.459 -5.657 1.00 90.52 N +ATOM 116 CA GLY A 19 13.342 -10.006 -6.967 1.00 90.16 C +ATOM 117 C GLY A 19 14.054 -11.341 -6.865 1.00 90.62 C +ATOM 118 O GLY A 19 14.520 -11.735 -5.797 1.00 89.85 O +ATOM 119 N PRO A 20 14.159 -12.060 -7.980 1.00 87.71 N +ATOM 120 CA PRO A 20 14.822 -13.356 -7.978 1.00 87.98 C +ATOM 121 C PRO A 20 16.328 -13.207 -7.846 1.00 87.91 C +ATOM 122 O PRO A 20 16.887 -12.156 -8.138 1.00 86.88 O +ATOM 123 CB PRO A 20 14.424 -13.956 -9.326 1.00 84.91 C +ATOM 124 CG PRO A 20 14.250 -12.760 -10.191 1.00 81.73 C +ATOM 125 CD PRO A 20 13.646 -11.701 -9.295 1.00 83.58 C +HETATM 126 N HYP A 21 17.024 -14.270 -7.392 1.00 92.46 N +HETATM 127 CA HYP A 21 18.464 -14.259 -7.355 1.00 91.29 C +HETATM 128 C HYP A 21 19.112 -14.065 -8.708 1.00 91.19 C +HETATM 129 O HYP A 21 18.530 -14.458 -9.716 1.00 91.04 O +HETATM 130 CB HYP A 21 18.790 -15.690 -6.804 1.00 88.64 C +HETATM 131 CG HYP A 21 17.555 -16.123 -6.034 1.00 86.54 C +HETATM 132 CD HYP A 21 16.443 -15.495 -6.815 1.00 88.09 C +HETATM 133 OD1 HYP A 21 17.554 -15.592 -4.715 1.00 88.10 O +ATOM 134 N GLY A 22 20.247 -13.393 -8.811 1.00 89.54 N +ATOM 135 CA GLY A 22 20.958 -13.187 -10.045 1.00 88.68 C +ATOM 136 C GLY A 22 21.446 -14.510 -10.615 1.00 89.00 C +ATOM 137 O GLY A 22 21.380 -15.549 -9.954 1.00 87.29 O +ATOM 138 N PRO A 23 21.983 -14.486 -11.838 1.00 90.33 N +ATOM 139 CA PRO A 23 22.468 -15.714 -12.461 1.00 90.08 C +ATOM 140 C PRO A 23 23.718 -16.214 -11.756 1.00 89.34 C +ATOM 141 O PRO A 23 24.450 -15.446 -11.130 1.00 86.25 O +ATOM 142 CB PRO A 23 22.743 -15.304 -13.899 1.00 86.64 C +ATOM 143 CG PRO A 23 23.042 -13.845 -13.805 1.00 84.25 C +ATOM 144 CD PRO A 23 22.136 -13.335 -12.715 1.00 84.88 C +HETATM 145 N HYP A 24 24.062 -17.469 -11.869 1.00 90.49 N +HETATM 146 CA HYP A 24 25.265 -17.980 -11.202 1.00 87.61 C +HETATM 147 C HYP A 24 26.467 -17.278 -11.720 1.00 89.96 C +HETATM 148 O HYP A 24 27.297 -16.945 -10.945 1.00 88.10 O +HETATM 149 CB HYP A 24 25.294 -19.490 -11.646 1.00 89.67 C +HETATM 150 CG HYP A 24 23.903 -19.839 -12.061 1.00 87.78 C +HETATM 151 CD HYP A 24 23.331 -18.510 -12.576 1.00 89.90 C +HETATM 152 OD1 HYP A 24 23.149 -20.251 -10.934 1.00 84.01 O +HETATM 153 OXT HYP A 24 26.556 -17.098 -12.958 1.00 83.42 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_430.txt b/protein_pdb_430.txt new file mode 100644 index 0000000000000000000000000000000000000000..e25a8fba45f628fee165fa3448607cc7de99c1da --- /dev/null +++ b/protein_pdb_430.txt @@ -0,0 +1,209 @@ +ATOM 1 N GLY A 1 14.277 8.616 -6.389 1.00 68.19 N +ATOM 2 CA GLY A 1 12.931 9.155 -6.211 1.00 72.50 C +ATOM 3 C GLY A 1 12.281 8.606 -4.966 1.00 72.61 C +ATOM 4 O GLY A 1 12.869 7.785 -4.263 1.00 68.51 O +ATOM 5 N LEU A 2 11.077 9.040 -4.695 1.00 71.66 N +ATOM 6 CA LEU A 2 10.353 8.605 -3.512 1.00 75.28 C +ATOM 7 C LEU A 2 9.770 7.214 -3.699 1.00 74.40 C +ATOM 8 O LEU A 2 9.319 6.853 -4.786 1.00 70.63 O +ATOM 9 CB LEU A 2 9.208 9.571 -3.206 1.00 70.97 C +ATOM 10 CG LEU A 2 9.605 11.016 -2.915 1.00 64.58 C +ATOM 11 CD1 LEU A 2 8.361 11.872 -2.773 1.00 64.63 C +ATOM 12 CD2 LEU A 2 10.449 11.090 -1.658 1.00 61.82 C +ATOM 13 N ALA A 3 9.773 6.434 -2.625 1.00 81.43 N +ATOM 14 CA ALA A 3 9.139 5.129 -2.669 1.00 82.65 C +ATOM 15 C ALA A 3 7.636 5.330 -2.790 1.00 83.25 C +ATOM 16 O ALA A 3 7.078 6.293 -2.259 1.00 79.00 O +ATOM 17 CB ALA A 3 9.461 4.338 -1.408 1.00 76.25 C +ATOM 18 N GLY A 4 6.984 4.419 -3.466 1.00 83.69 N +ATOM 19 CA GLY A 4 5.546 4.499 -3.616 1.00 83.60 C +ATOM 20 C GLY A 4 4.837 4.263 -2.301 1.00 85.55 C +ATOM 21 O GLY A 4 5.408 3.727 -1.350 1.00 84.94 O +ATOM 22 N GLU A 5 3.565 4.668 -2.247 1.00 82.50 N +ATOM 23 CA GLU A 5 2.782 4.488 -1.042 1.00 84.52 C +ATOM 24 C GLU A 5 2.438 3.024 -0.846 1.00 84.35 C +ATOM 25 O GLU A 5 2.492 2.226 -1.764 1.00 82.81 O +ATOM 26 CB GLU A 5 1.518 5.332 -1.094 1.00 80.77 C +ATOM 27 CG GLU A 5 0.540 4.922 -2.169 1.00 76.70 C +ATOM 28 CD GLU A 5 -0.727 5.775 -2.161 1.00 74.39 C +ATOM 29 OE1 GLU A 5 -0.796 6.735 -1.384 1.00 72.52 O +ATOM 30 OE2 GLU A 5 -1.641 5.479 -2.941 1.00 73.22 O +HETATM 31 N HYP A 6 2.115 2.655 0.350 1.00 83.22 N +HETATM 32 CA HYP A 6 1.664 1.327 0.669 1.00 79.69 C +HETATM 33 C HYP A 6 0.438 0.932 -0.108 1.00 81.22 C +HETATM 34 O HYP A 6 -0.402 1.784 -0.480 1.00 84.40 O +HETATM 35 CB HYP A 6 1.377 1.497 2.208 1.00 83.57 C +HETATM 36 CG HYP A 6 2.324 2.559 2.623 1.00 82.80 C +HETATM 37 CD HYP A 6 2.284 3.518 1.488 1.00 84.70 C +HETATM 38 OD1 HYP A 6 3.611 2.059 2.810 1.00 84.31 O +ATOM 39 N GLY A 7 0.327 -0.343 -0.381 1.00 89.12 N +ATOM 40 CA GLY A 7 -0.822 -0.849 -1.081 1.00 87.85 C +ATOM 41 C GLY A 7 -2.083 -0.693 -0.246 1.00 88.30 C +ATOM 42 O GLY A 7 -2.032 -0.390 0.949 1.00 86.85 O +ATOM 43 N LYS A 8 -3.221 -0.906 -0.895 1.00 88.48 N +ATOM 44 CA LYS A 8 -4.498 -0.798 -0.219 1.00 87.75 C +ATOM 45 C LYS A 8 -4.671 -1.933 0.781 1.00 86.95 C +ATOM 46 O LYS A 8 -4.047 -2.979 0.662 1.00 87.21 O +ATOM 47 CB LYS A 8 -5.631 -0.834 -1.235 1.00 83.71 C +ATOM 48 CG LYS A 8 -5.640 0.365 -2.157 1.00 79.70 C +ATOM 49 CD LYS A 8 -6.771 0.278 -3.156 1.00 79.26 C +ATOM 50 CE LYS A 8 -6.788 1.475 -4.081 1.00 75.46 C +ATOM 51 NZ LYS A 8 -7.868 1.387 -5.095 1.00 71.57 N +HETATM 52 N HYP A 9 -5.538 -1.756 1.747 1.00 84.07 N +HETATM 53 CA HYP A 9 -5.824 -2.785 2.711 1.00 85.73 C +HETATM 54 C HYP A 9 -6.411 -4.032 2.073 1.00 82.63 C +HETATM 55 O HYP A 9 -7.101 -3.926 1.043 1.00 84.90 O +HETATM 56 CB HYP A 9 -6.883 -2.071 3.624 1.00 83.73 C +HETATM 57 CG HYP A 9 -6.511 -0.646 3.518 1.00 84.15 C +HETATM 58 CD HYP A 9 -6.151 -0.477 2.083 1.00 85.92 C +HETATM 59 OD1 HYP A 9 -5.421 -0.331 4.338 1.00 83.15 O +ATOM 60 N GLY A 10 -6.103 -5.166 2.652 1.00 85.94 N +ATOM 61 CA GLY A 10 -6.599 -6.409 2.131 1.00 84.36 C +ATOM 62 C GLY A 10 -8.095 -6.543 2.334 1.00 85.94 C +ATOM 63 O GLY A 10 -8.740 -5.689 2.949 1.00 85.49 O +ATOM 64 N ILE A 11 -8.648 -7.641 1.812 1.00 87.06 N +ATOM 65 CA ILE A 11 -10.075 -7.888 1.959 1.00 86.13 C +ATOM 66 C ILE A 11 -10.400 -8.185 3.411 1.00 86.08 C +ATOM 67 O ILE A 11 -9.543 -8.601 4.184 1.00 84.98 O +ATOM 68 CB ILE A 11 -10.540 -9.043 1.061 1.00 83.60 C +ATOM 69 CG1 ILE A 11 -9.815 -10.337 1.421 1.00 81.87 C +ATOM 70 CG2 ILE A 11 -10.328 -8.670 -0.400 1.00 81.46 C +ATOM 71 CD1 ILE A 11 -10.396 -11.562 0.721 1.00 77.33 C +HETATM 72 N HYP A 12 -11.636 -8.022 3.759 1.00 84.97 N +HETATM 73 CA HYP A 12 -12.074 -8.277 5.070 1.00 83.52 C +HETATM 74 C HYP A 12 -11.977 -9.711 5.523 1.00 83.23 C +HETATM 75 O HYP A 12 -12.272 -10.619 4.758 1.00 83.88 O +HETATM 76 CB HYP A 12 -13.520 -7.771 5.076 1.00 84.20 C +HETATM 77 CG HYP A 12 -13.474 -6.674 4.072 1.00 82.69 C +HETATM 78 CD HYP A 12 -12.593 -7.207 3.018 1.00 85.09 C +HETATM 79 OD1 HYP A 12 -12.944 -5.497 4.580 1.00 84.13 O +ATOM 80 N GLY A 13 -11.476 -9.897 6.737 1.00 88.20 N +ATOM 81 CA GLY A 13 -11.373 -11.216 7.300 1.00 87.63 C +ATOM 82 C GLY A 13 -12.633 -11.547 8.072 1.00 88.56 C +ATOM 83 O GLY A 13 -13.647 -10.858 7.972 1.00 88.01 O +ATOM 84 N LEU A 14 -12.569 -12.601 8.879 1.00 85.08 N +ATOM 85 CA LEU A 14 -13.696 -13.012 9.689 1.00 85.85 C +ATOM 86 C LEU A 14 -14.048 -11.907 10.673 1.00 85.52 C +ATOM 87 O LEU A 14 -13.173 -11.388 11.359 1.00 83.53 O +ATOM 88 CB LEU A 14 -13.339 -14.300 10.432 1.00 82.63 C +ATOM 89 CG LEU A 14 -14.486 -14.961 11.199 1.00 76.48 C +ATOM 90 CD1 LEU A 14 -15.561 -15.449 10.253 1.00 76.36 C +ATOM 91 CD2 LEU A 14 -13.958 -16.124 12.032 1.00 73.84 C +HETATM 92 N HYP A 15 -15.331 -11.618 10.781 1.00 82.98 N +HETATM 93 CA HYP A 15 -15.792 -10.414 11.316 1.00 79.02 C +HETATM 94 C HYP A 15 -15.517 -9.152 10.655 1.00 81.68 C +HETATM 95 O HYP A 15 -15.547 -8.036 11.227 1.00 83.90 O +HETATM 96 CB HYP A 15 -16.669 -10.546 12.483 1.00 84.41 C +HETATM 97 CG HYP A 15 -16.956 -12.048 12.448 1.00 80.30 C +HETATM 98 CD HYP A 15 -15.915 -12.634 11.524 1.00 83.92 C +HETATM 99 OD1 HYP A 15 -18.209 -12.403 11.985 1.00 81.48 O +ATOM 100 N GLY A 16 -15.121 -9.289 9.421 1.00 89.50 N +ATOM 101 CA GLY A 16 -14.965 -8.145 8.557 1.00 88.19 C +ATOM 102 C GLY A 16 -13.722 -7.319 8.802 1.00 87.85 C +ATOM 103 O GLY A 16 -13.597 -6.218 8.267 1.00 86.94 O +ATOM 104 N ARG A 17 -12.784 -7.828 9.587 1.00 85.90 N +ATOM 105 CA ARG A 17 -11.564 -7.096 9.883 1.00 85.58 C +ATOM 106 C ARG A 17 -10.734 -6.979 8.612 1.00 85.31 C +ATOM 107 O ARG A 17 -10.338 -7.982 8.029 1.00 84.89 O +ATOM 108 CB ARG A 17 -10.761 -7.791 10.978 1.00 80.59 C +ATOM 109 CG ARG A 17 -9.542 -7.005 11.428 1.00 76.32 C +ATOM 110 CD ARG A 17 -8.789 -7.758 12.502 1.00 73.59 C +ATOM 111 NE ARG A 17 -7.667 -6.974 13.029 1.00 72.11 N +ATOM 112 CZ ARG A 17 -6.762 -7.442 13.881 1.00 68.93 C +ATOM 113 NH1 ARG A 17 -6.825 -8.685 14.300 1.00 66.68 N +ATOM 114 NH2 ARG A 17 -5.808 -6.648 14.307 1.00 64.21 N +ATOM 115 N ALA A 18 -10.466 -5.756 8.188 1.00 86.30 N +ATOM 116 CA ALA A 18 -9.695 -5.543 6.976 1.00 85.75 C +ATOM 117 C ALA A 18 -8.280 -6.067 7.120 1.00 85.86 C +ATOM 118 O ALA A 18 -7.696 -6.032 8.205 1.00 82.67 O +ATOM 119 CB ALA A 18 -9.668 -4.056 6.629 1.00 82.18 C +ATOM 120 N GLY A 19 -7.733 -6.537 6.031 1.00 86.95 N +ATOM 121 CA GLY A 19 -6.362 -6.986 6.023 1.00 86.36 C +ATOM 122 C GLY A 19 -5.404 -5.821 6.121 1.00 89.13 C +ATOM 123 O GLY A 19 -5.808 -4.664 6.039 1.00 90.18 O +ATOM 124 N PRO A 20 -4.124 -6.114 6.315 1.00 86.94 N +ATOM 125 CA PRO A 20 -3.124 -5.071 6.444 1.00 87.76 C +ATOM 126 C PRO A 20 -2.834 -4.406 5.107 1.00 88.92 C +ATOM 127 O PRO A 20 -3.133 -4.950 4.051 1.00 88.27 O +ATOM 128 CB PRO A 20 -1.900 -5.822 6.959 1.00 84.78 C +ATOM 129 CG PRO A 20 -2.062 -7.180 6.365 1.00 84.15 C +ATOM 130 CD PRO A 20 -3.539 -7.445 6.433 1.00 86.06 C +HETATM 131 N HYP A 21 -2.239 -3.247 5.177 1.00 83.48 N +HETATM 132 CA HYP A 21 -1.812 -2.550 4.001 1.00 80.96 C +HETATM 133 C HYP A 21 -0.837 -3.381 3.200 1.00 82.79 C +HETATM 134 O HYP A 21 -0.053 -4.176 3.776 1.00 84.16 O +HETATM 135 CB HYP A 21 -1.112 -1.304 4.608 1.00 84.71 C +HETATM 136 CG HYP A 21 -1.784 -1.119 5.945 1.00 84.23 C +HETATM 137 CD HYP A 21 -2.031 -2.512 6.423 1.00 85.93 C +HETATM 138 OD1 HYP A 21 -2.995 -0.426 5.816 1.00 84.08 O +ATOM 139 N GLY A 22 -0.885 -3.238 1.913 1.00 88.93 N +ATOM 140 CA GLY A 22 0.048 -3.930 1.067 1.00 89.08 C +ATOM 141 C GLY A 22 1.447 -3.358 1.225 1.00 91.43 C +ATOM 142 O GLY A 22 1.654 -2.374 1.932 1.00 92.54 O +ATOM 143 N PRO A 23 2.415 -3.994 0.568 1.00 88.83 N +ATOM 144 CA PRO A 23 3.794 -3.531 0.666 1.00 88.55 C +ATOM 145 C PRO A 23 3.983 -2.183 -0.026 1.00 89.62 C +ATOM 146 O PRO A 23 3.194 -1.800 -0.880 1.00 88.81 O +ATOM 147 CB PRO A 23 4.583 -4.635 -0.032 1.00 85.29 C +ATOM 148 CG PRO A 23 3.603 -5.206 -1.003 1.00 85.22 C +ATOM 149 CD PRO A 23 2.290 -5.159 -0.296 1.00 87.69 C +HETATM 150 N HYP A 24 5.045 -1.488 0.320 1.00 86.49 N +HETATM 151 CA HYP A 24 5.364 -0.230 -0.283 1.00 83.07 C +HETATM 152 C HYP A 24 5.611 -0.372 -1.775 1.00 84.88 C +HETATM 153 O HYP A 24 6.138 -1.410 -2.219 1.00 87.37 O +HETATM 154 CB HYP A 24 6.633 0.167 0.471 1.00 86.80 C +HETATM 155 CG HYP A 24 6.518 -0.541 1.787 1.00 85.40 C +HETATM 156 CD HYP A 24 5.885 -1.857 1.432 1.00 88.69 C +HETATM 157 OD1 HYP A 24 5.692 0.153 2.677 1.00 87.43 O +ATOM 158 N GLY A 25 5.223 0.626 -2.513 1.00 89.73 N +ATOM 159 CA GLY A 25 5.453 0.620 -3.926 1.00 87.45 C +ATOM 160 C GLY A 25 6.930 0.777 -4.233 1.00 88.52 C +ATOM 161 O GLY A 25 7.744 1.040 -3.344 1.00 88.85 O +ATOM 162 N PRO A 26 7.291 0.612 -5.495 1.00 89.12 N +ATOM 163 CA PRO A 26 8.685 0.741 -5.895 1.00 87.99 C +ATOM 164 C PRO A 26 9.155 2.190 -5.851 1.00 88.21 C +ATOM 165 O PRO A 26 8.343 3.112 -5.821 1.00 87.07 O +ATOM 166 CB PRO A 26 8.687 0.195 -7.318 1.00 83.54 C +ATOM 167 CG PRO A 26 7.319 0.527 -7.816 1.00 81.88 C +ATOM 168 CD PRO A 26 6.428 0.305 -6.630 1.00 85.41 C +HETATM 169 N HYP A 27 10.458 2.392 -5.863 1.00 87.05 N +HETATM 170 CA HYP A 27 10.997 3.690 -5.914 1.00 83.19 C +HETATM 171 C HYP A 27 10.616 4.470 -7.145 1.00 82.35 C +HETATM 172 O HYP A 27 10.498 3.881 -8.229 1.00 87.23 O +HETATM 173 CB HYP A 27 12.513 3.447 -5.845 1.00 84.87 C +HETATM 174 CG HYP A 27 12.650 2.110 -5.163 1.00 84.50 C +HETATM 175 CD HYP A 27 11.471 1.340 -5.659 1.00 87.06 C +HETATM 176 OD1 HYP A 27 12.587 2.221 -3.761 1.00 86.37 O +ATOM 177 N GLY A 28 10.372 5.738 -6.985 1.00 89.64 N +ATOM 178 CA GLY A 28 10.077 6.573 -8.110 1.00 88.07 C +ATOM 179 C GLY A 28 11.346 6.857 -8.891 1.00 89.11 C +ATOM 180 O GLY A 28 12.440 6.464 -8.488 1.00 89.27 O +ATOM 181 N PRO A 29 11.224 7.555 -10.018 1.00 88.92 N +ATOM 182 CA PRO A 29 12.392 7.887 -10.821 1.00 88.57 C +ATOM 183 C PRO A 29 13.250 8.918 -10.110 1.00 88.74 C +ATOM 184 O PRO A 29 12.767 9.658 -9.256 1.00 87.05 O +ATOM 185 CB PRO A 29 11.789 8.435 -12.108 1.00 83.13 C +ATOM 186 CG PRO A 29 10.494 9.008 -11.665 1.00 81.52 C +ATOM 187 CD PRO A 29 9.995 8.056 -10.614 1.00 84.78 C +HETATM 188 N HYP A 30 14.554 8.988 -10.477 1.00 83.96 N +HETATM 189 CA HYP A 30 15.410 9.953 -9.884 1.00 85.55 C +HETATM 190 C HYP A 30 14.996 11.367 -10.122 1.00 81.48 C +HETATM 191 O HYP A 30 14.526 11.717 -11.233 1.00 85.97 O +HETATM 192 CB HYP A 30 16.784 9.634 -10.520 1.00 84.56 C +HETATM 193 CG HYP A 30 16.690 8.205 -10.934 1.00 81.81 C +HETATM 194 CD HYP A 30 15.253 8.021 -11.332 1.00 85.61 C +HETATM 195 OD1 HYP A 30 17.006 7.345 -9.852 1.00 85.58 O +ATOM 196 N GLY A 31 15.123 12.251 -9.078 1.00 86.88 N +ATOM 197 CA GLY A 31 14.811 13.651 -9.200 1.00 84.69 C +ATOM 198 C GLY A 31 15.990 14.385 -9.816 1.00 83.44 C +ATOM 199 O GLY A 31 16.924 13.771 -10.329 1.00 80.12 O +ATOM 200 N VAL A 32 15.961 15.708 -9.743 1.00 88.81 N +ATOM 201 CA VAL A 32 17.035 16.529 -10.300 1.00 86.43 C +ATOM 202 C VAL A 32 17.861 17.192 -9.208 1.00 82.89 C +ATOM 203 O VAL A 32 18.970 17.657 -9.496 1.00 78.56 O +ATOM 204 CB VAL A 32 16.482 17.594 -11.275 1.00 77.57 C +ATOM 205 CG1 VAL A 32 15.828 16.918 -12.450 1.00 68.92 C +ATOM 206 CG2 VAL A 32 15.504 18.517 -10.570 1.00 70.22 C +ATOM 207 OXT VAL A 32 17.420 17.247 -8.039 1.00 67.41 O +TER 208 VAL A 32 +END diff --git a/protein_pdb_431.txt b/protein_pdb_431.txt new file mode 100644 index 0000000000000000000000000000000000000000..6b0902188de66b0b5cabf7224b2b4de8a6a1a760 --- /dev/null +++ b/protein_pdb_431.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 6.030 -14.535 -6.970 1.00 76.41 N +ATOM 2 CA GLY A 1 5.656 -13.531 -7.949 1.00 80.14 C +ATOM 3 C GLY A 1 6.139 -12.163 -7.539 1.00 81.63 C +ATOM 4 O GLY A 1 6.747 -12.012 -6.483 1.00 78.70 O +ATOM 5 N PRO A 2 5.858 -11.172 -8.344 1.00 77.61 N +ATOM 6 CA PRO A 2 6.302 -9.818 -8.034 1.00 81.09 C +ATOM 7 C PRO A 2 5.521 -9.220 -6.881 1.00 81.63 C +ATOM 8 O PRO A 2 4.437 -9.677 -6.544 1.00 79.83 O +ATOM 9 CB PRO A 2 6.050 -9.059 -9.332 1.00 77.49 C +ATOM 10 CG PRO A 2 4.902 -9.777 -9.944 1.00 71.30 C +ATOM 11 CD PRO A 2 5.123 -11.228 -9.606 1.00 70.82 C +HETATM 12 N HYP A 3 6.102 -8.239 -6.314 1.00 81.97 N +HETATM 13 CA HYP A 3 5.402 -7.486 -5.251 1.00 84.95 C +HETATM 14 C HYP A 3 4.100 -6.930 -5.747 1.00 84.15 C +HETATM 15 O HYP A 3 3.919 -6.661 -6.967 1.00 84.40 O +HETATM 16 CB HYP A 3 6.437 -6.341 -4.987 1.00 81.53 C +HETATM 17 CG HYP A 3 7.766 -6.937 -5.353 1.00 73.57 C +HETATM 18 CD HYP A 3 7.443 -7.759 -6.617 1.00 76.63 C +HETATM 19 OD1 HYP A 3 8.226 -7.806 -4.359 1.00 82.42 O +ATOM 20 N GLY A 4 3.161 -6.857 -4.865 1.00 86.90 N +ATOM 21 CA GLY A 4 1.871 -6.323 -5.205 1.00 86.25 C +ATOM 22 C GLY A 4 1.950 -4.832 -5.460 1.00 86.14 C +ATOM 23 O GLY A 4 2.984 -4.205 -5.255 1.00 85.89 O +ATOM 24 N PRO A 5 0.847 -4.261 -5.920 1.00 86.00 N +ATOM 25 CA PRO A 5 0.824 -2.836 -6.188 1.00 86.28 C +ATOM 26 C PRO A 5 0.841 -2.034 -4.894 1.00 86.81 C +ATOM 27 O PRO A 5 0.528 -2.547 -3.827 1.00 84.63 O +ATOM 28 CB PRO A 5 -0.486 -2.634 -6.943 1.00 83.00 C +ATOM 29 CG PRO A 5 -1.360 -3.725 -6.425 1.00 81.55 C +ATOM 30 CD PRO A 5 -0.439 -4.895 -6.224 1.00 83.19 C +HETATM 31 N HYP A 6 1.226 -0.789 -5.020 1.00 87.19 N +HETATM 32 CA HYP A 6 1.158 0.099 -3.862 1.00 89.05 C +HETATM 33 C HYP A 6 -0.196 0.176 -3.277 1.00 88.86 C +HETATM 34 O HYP A 6 -1.225 0.020 -4.016 1.00 85.38 O +HETATM 35 CB HYP A 6 1.565 1.432 -4.615 1.00 84.66 C +HETATM 36 CG HYP A 6 2.459 0.983 -5.738 1.00 81.79 C +HETATM 37 CD HYP A 6 1.773 -0.232 -6.243 1.00 86.27 C +HETATM 38 OD1 HYP A 6 3.735 0.647 -5.267 1.00 82.43 O +ATOM 39 N GLY A 7 -0.281 0.321 -1.999 1.00 85.91 N +ATOM 40 CA GLY A 7 -1.545 0.424 -1.322 1.00 83.46 C +ATOM 41 C GLY A 7 -2.282 1.677 -1.738 1.00 83.82 C +ATOM 42 O GLY A 7 -1.746 2.533 -2.437 1.00 82.67 O +ATOM 43 N PRO A 8 -3.531 1.783 -1.304 1.00 85.52 N +ATOM 44 CA PRO A 8 -4.316 2.960 -1.653 1.00 85.26 C +ATOM 45 C PRO A 8 -3.813 4.194 -0.920 1.00 85.61 C +ATOM 46 O PRO A 8 -3.219 4.109 0.146 1.00 82.64 O +ATOM 47 CB PRO A 8 -5.729 2.586 -1.212 1.00 81.89 C +ATOM 48 CG PRO A 8 -5.509 1.623 -0.108 1.00 80.89 C +ATOM 49 CD PRO A 8 -4.290 0.833 -0.501 1.00 82.22 C +HETATM 50 N HYP A 9 -4.115 5.339 -1.483 1.00 81.77 N +HETATM 51 CA HYP A 9 -3.720 6.559 -0.878 1.00 86.69 C +HETATM 52 C HYP A 9 -4.482 6.792 0.426 1.00 83.35 C +HETATM 53 O HYP A 9 -5.608 6.322 0.590 1.00 81.48 O +HETATM 54 CB HYP A 9 -4.271 7.582 -1.935 1.00 80.19 C +HETATM 55 CG HYP A 9 -4.357 6.852 -3.213 1.00 78.86 C +HETATM 56 CD HYP A 9 -4.746 5.493 -2.800 1.00 81.75 C +HETATM 57 OD1 HYP A 9 -3.090 6.798 -3.847 1.00 76.44 O +ATOM 58 N GLY A 10 -3.911 7.477 1.336 1.00 84.76 N +ATOM 59 CA GLY A 10 -4.614 7.871 2.532 1.00 81.67 C +ATOM 60 C GLY A 10 -5.643 8.929 2.188 1.00 81.45 C +ATOM 61 O GLY A 10 -5.815 9.299 1.025 1.00 78.89 O +ATOM 62 N MET A 11 -6.320 9.412 3.194 1.00 80.49 N +ATOM 63 CA MET A 11 -7.324 10.453 2.972 1.00 82.46 C +ATOM 64 C MET A 11 -6.734 11.564 2.100 1.00 81.05 C +ATOM 65 O MET A 11 -7.336 11.969 1.107 1.00 76.09 O +ATOM 66 CB MET A 11 -7.781 11.014 4.320 1.00 78.91 C +ATOM 67 CG MET A 11 -8.902 12.048 4.201 1.00 76.25 C +ATOM 68 SD MET A 11 -10.437 11.363 3.605 1.00 70.53 S +ATOM 69 CE MET A 11 -11.055 10.593 5.093 1.00 65.61 C +ATOM 70 N ASP A 12 -5.563 12.032 2.479 1.00 80.08 N +ATOM 71 CA ASP A 12 -4.801 13.015 1.713 1.00 81.51 C +ATOM 72 C ASP A 12 -3.333 12.603 1.735 1.00 81.33 C +ATOM 73 O ASP A 12 -2.450 13.443 1.581 1.00 76.03 O +ATOM 74 CB ASP A 12 -4.966 14.417 2.309 1.00 78.43 C +ATOM 75 CG ASP A 12 -6.356 14.990 2.054 1.00 73.18 C +ATOM 76 OD1 ASP A 12 -7.234 14.791 2.908 1.00 70.91 O +ATOM 77 OD2 ASP A 12 -6.543 15.634 1.005 1.00 68.96 O +ATOM 78 N GLY A 13 -3.089 11.338 1.949 1.00 83.36 N +ATOM 79 CA GLY A 13 -1.748 10.840 2.160 1.00 80.21 C +ATOM 80 C GLY A 13 -1.165 10.132 0.958 1.00 80.64 C +ATOM 81 O GLY A 13 -1.824 9.961 -0.068 1.00 81.61 O +ATOM 82 N PRO A 14 0.085 9.729 1.084 1.00 82.43 N +ATOM 83 CA PRO A 14 0.764 9.033 -0.001 1.00 83.97 C +ATOM 84 C PRO A 14 0.228 7.616 -0.158 1.00 83.91 C +ATOM 85 O PRO A 14 -0.436 7.082 0.734 1.00 81.18 O +ATOM 86 CB PRO A 14 2.223 9.025 0.445 1.00 80.67 C +ATOM 87 CG PRO A 14 2.135 8.990 1.930 1.00 77.53 C +ATOM 88 CD PRO A 14 0.952 9.862 2.267 1.00 77.28 C +HETATM 89 N HYP A 15 0.570 7.060 -1.273 1.00 77.97 N +HETATM 90 CA HYP A 15 0.196 5.663 -1.481 1.00 82.26 C +HETATM 91 C HYP A 15 0.796 4.793 -0.442 1.00 81.88 C +HETATM 92 O HYP A 15 1.831 5.139 0.173 1.00 82.51 O +HETATM 93 CB HYP A 15 0.918 5.469 -2.876 1.00 76.18 C +HETATM 94 CG HYP A 15 0.916 6.838 -3.523 1.00 73.30 C +HETATM 95 CD HYP A 15 1.232 7.740 -2.377 1.00 79.75 C +HETATM 96 OD1 HYP A 15 -0.329 7.153 -4.064 1.00 78.24 O +ATOM 97 N GLY A 16 0.143 3.698 -0.176 1.00 86.93 N +ATOM 98 CA GLY A 16 0.672 2.749 0.764 1.00 84.55 C +ATOM 99 C GLY A 16 1.869 2.026 0.187 1.00 86.24 C +ATOM 100 O GLY A 16 2.234 2.227 -0.971 1.00 85.97 O +ATOM 101 N PRO A 17 2.491 1.181 1.005 1.00 86.51 N +ATOM 102 CA PRO A 17 3.642 0.428 0.530 1.00 86.35 C +ATOM 103 C PRO A 17 3.223 -0.639 -0.466 1.00 86.93 C +ATOM 104 O PRO A 17 2.055 -1.001 -0.549 1.00 85.55 O +ATOM 105 CB PRO A 17 4.210 -0.184 1.813 1.00 83.75 C +ATOM 106 CG PRO A 17 3.023 -0.328 2.688 1.00 82.93 C +ATOM 107 CD PRO A 17 2.165 0.871 2.402 1.00 84.15 C +HETATM 108 N HYP A 18 4.194 -1.122 -1.185 1.00 84.19 N +HETATM 109 CA HYP A 18 3.907 -2.215 -2.116 1.00 86.46 C +HETATM 110 C HYP A 18 3.346 -3.388 -1.422 1.00 83.97 C +HETATM 111 O HYP A 18 3.661 -3.645 -0.225 1.00 86.82 O +HETATM 112 CB HYP A 18 5.333 -2.456 -2.636 1.00 82.75 C +HETATM 113 CG HYP A 18 6.051 -1.145 -2.513 1.00 80.18 C +HETATM 114 CD HYP A 18 5.547 -0.609 -1.212 1.00 84.99 C +HETATM 115 OD1 HYP A 18 5.668 -0.257 -3.557 1.00 82.46 O +ATOM 116 N GLY A 19 2.490 -4.086 -2.077 1.00 87.14 N +ATOM 117 CA GLY A 19 1.895 -5.262 -1.517 1.00 86.07 C +ATOM 118 C GLY A 19 2.920 -6.363 -1.355 1.00 86.74 C +ATOM 119 O GLY A 19 4.072 -6.231 -1.769 1.00 86.91 O +ATOM 120 N PRO A 20 2.495 -7.468 -0.757 1.00 82.00 N +ATOM 121 CA PRO A 20 3.407 -8.577 -0.568 1.00 82.17 C +ATOM 122 C PRO A 20 3.712 -9.258 -1.889 1.00 82.54 C +ATOM 123 O PRO A 20 2.995 -9.073 -2.869 1.00 81.15 O +ATOM 124 CB PRO A 20 2.638 -9.498 0.374 1.00 78.40 C +ATOM 125 CG PRO A 20 1.210 -9.207 0.055 1.00 75.18 C +ATOM 126 CD PRO A 20 1.163 -7.737 -0.239 1.00 76.37 C +HETATM 127 N HYP A 21 4.765 -10.054 -1.906 1.00 84.26 N +HETATM 128 CA HYP A 21 5.072 -10.792 -3.074 1.00 83.59 C +HETATM 129 C HYP A 21 3.950 -11.694 -3.533 1.00 83.25 C +HETATM 130 O HYP A 21 3.195 -12.183 -2.690 1.00 85.49 O +HETATM 131 CB HYP A 21 6.273 -11.612 -2.639 1.00 81.39 C +HETATM 132 CG HYP A 21 6.953 -10.757 -1.604 1.00 79.33 C +HETATM 133 CD HYP A 21 5.802 -10.181 -0.851 1.00 84.35 C +HETATM 134 OD1 HYP A 21 7.668 -9.689 -2.203 1.00 79.90 O +ATOM 135 N GLY A 22 3.762 -11.790 -4.803 1.00 83.64 N +ATOM 136 CA GLY A 22 2.717 -12.597 -5.352 1.00 82.25 C +ATOM 137 C GLY A 22 2.983 -14.069 -5.107 1.00 82.24 C +ATOM 138 O GLY A 22 3.965 -14.439 -4.474 1.00 81.05 O +ATOM 139 N PRO A 23 2.115 -14.937 -5.633 1.00 80.80 N +ATOM 140 CA PRO A 23 2.295 -16.376 -5.462 1.00 82.45 C +ATOM 141 C PRO A 23 3.620 -16.831 -6.031 1.00 81.30 C +ATOM 142 O PRO A 23 4.121 -16.253 -6.992 1.00 77.41 O +ATOM 143 CB PRO A 23 1.134 -16.972 -6.243 1.00 76.58 C +ATOM 144 CG PRO A 23 0.119 -15.889 -6.246 1.00 71.85 C +ATOM 145 CD PRO A 23 0.902 -14.625 -6.373 1.00 73.71 C +HETATM 146 N HYP A 24 4.187 -17.868 -5.534 1.00 85.67 N +HETATM 147 CA HYP A 24 5.456 -18.272 -6.052 1.00 81.93 C +HETATM 148 C HYP A 24 5.528 -18.294 -7.521 1.00 83.15 C +HETATM 149 O HYP A 24 4.587 -18.852 -8.145 1.00 81.25 O +HETATM 150 CB HYP A 24 5.679 -19.640 -5.371 1.00 82.86 C +HETATM 151 CG HYP A 24 4.758 -19.648 -4.156 1.00 80.16 C +HETATM 152 CD HYP A 24 3.596 -18.724 -4.526 1.00 83.52 C +HETATM 153 OD1 HYP A 24 5.421 -19.037 -3.036 1.00 79.18 O +HETATM 154 OXT HYP A 24 6.517 -17.681 -8.029 1.00 77.85 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_432.txt b/protein_pdb_432.txt new file mode 100644 index 0000000000000000000000000000000000000000..5fcba4ce46e3681816b10dfc74ac196d37f37e4d --- /dev/null +++ b/protein_pdb_432.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 7.445 -0.745 -6.374 1.00 83.24 N +ATOM 2 CA GLY A 1 6.992 0.617 -6.161 1.00 84.22 C +ATOM 3 C GLY A 1 6.903 0.941 -4.691 1.00 84.23 C +ATOM 4 O GLY A 1 7.198 0.096 -3.840 1.00 81.69 O +ATOM 5 N PRO A 2 6.474 2.167 -4.326 1.00 82.21 N +ATOM 6 CA PRO A 2 6.366 2.578 -2.931 1.00 83.46 C +ATOM 7 C PRO A 2 5.221 1.886 -2.217 1.00 82.72 C +ATOM 8 O PRO A 2 4.335 1.318 -2.840 1.00 81.03 O +ATOM 9 CB PRO A 2 6.128 4.084 -3.032 1.00 80.91 C +ATOM 10 CG PRO A 2 5.425 4.237 -4.329 1.00 76.17 C +ATOM 11 CD PRO A 2 6.082 3.236 -5.237 1.00 75.83 C +HETATM 12 N HYP A 3 5.261 1.891 -0.916 1.00 84.85 N +HETATM 13 CA HYP A 3 4.146 1.404 -0.136 1.00 87.46 C +HETATM 14 C HYP A 3 2.864 2.067 -0.469 1.00 86.79 C +HETATM 15 O HYP A 3 2.870 3.240 -0.884 1.00 86.14 O +HETATM 16 CB HYP A 3 4.636 1.632 1.301 1.00 81.40 C +HETATM 17 CG HYP A 3 6.144 1.517 1.193 1.00 79.49 C +HETATM 18 CD HYP A 3 6.404 2.241 -0.104 1.00 82.74 C +HETATM 19 OD1 HYP A 3 6.516 0.177 1.078 1.00 83.68 O +ATOM 20 N GLY A 4 1.795 1.369 -0.389 1.00 86.52 N +ATOM 21 CA GLY A 4 0.505 1.908 -0.698 1.00 84.99 C +ATOM 22 C GLY A 4 0.101 2.992 0.288 1.00 84.01 C +ATOM 23 O GLY A 4 0.789 3.232 1.285 1.00 83.36 O +ATOM 24 N PRO A 5 -1.016 3.639 0.025 1.00 84.50 N +ATOM 25 CA PRO A 5 -1.494 4.698 0.905 1.00 82.99 C +ATOM 26 C PRO A 5 -2.029 4.146 2.211 1.00 82.40 C +ATOM 27 O PRO A 5 -2.282 2.955 2.343 1.00 80.88 O +ATOM 28 CB PRO A 5 -2.588 5.362 0.075 1.00 80.12 C +ATOM 29 CG PRO A 5 -3.100 4.256 -0.777 1.00 77.41 C +ATOM 30 CD PRO A 5 -1.887 3.444 -1.129 1.00 79.12 C +HETATM 31 N HYP A 6 -2.183 5.009 3.152 1.00 84.75 N +HETATM 32 CA HYP A 6 -2.775 4.652 4.435 1.00 88.38 C +HETATM 33 C HYP A 6 -4.118 4.035 4.311 1.00 86.78 C +HETATM 34 O HYP A 6 -4.845 4.360 3.365 1.00 86.96 O +HETATM 35 CB HYP A 6 -2.782 5.999 5.159 1.00 83.59 C +HETATM 36 CG HYP A 6 -1.616 6.716 4.564 1.00 80.17 C +HETATM 37 CD HYP A 6 -1.717 6.333 3.138 1.00 84.11 C +HETATM 38 OD1 HYP A 6 -0.403 6.258 5.107 1.00 81.78 O +ATOM 39 N GLY A 7 -4.437 3.145 5.185 1.00 85.04 N +ATOM 40 CA GLY A 7 -5.707 2.471 5.167 1.00 83.07 C +ATOM 41 C GLY A 7 -6.860 3.426 5.424 1.00 83.21 C +ATOM 42 O GLY A 7 -6.660 4.610 5.698 1.00 82.60 O +ATOM 43 N PRO A 8 -8.077 2.911 5.347 1.00 84.91 N +ATOM 44 CA PRO A 8 -9.269 3.726 5.535 1.00 84.59 C +ATOM 45 C PRO A 8 -9.486 4.143 6.978 1.00 84.01 C +ATOM 46 O PRO A 8 -8.884 3.596 7.901 1.00 82.90 O +ATOM 47 CB PRO A 8 -10.390 2.821 5.036 1.00 82.76 C +ATOM 48 CG PRO A 8 -9.887 1.451 5.334 1.00 82.65 C +ATOM 49 CD PRO A 8 -8.412 1.520 5.045 1.00 83.42 C +HETATM 50 N HYP A 9 -10.380 5.091 7.158 1.00 83.68 N +HETATM 51 CA HYP A 9 -10.816 5.535 8.426 1.00 85.67 C +HETATM 52 C HYP A 9 -11.469 4.493 9.215 1.00 86.49 C +HETATM 53 O HYP A 9 -11.678 3.425 8.704 1.00 84.02 O +HETATM 54 CB HYP A 9 -11.703 6.718 8.168 1.00 81.93 C +HETATM 55 CG HYP A 9 -11.136 7.266 6.911 1.00 81.91 C +HETATM 56 CD HYP A 9 -10.774 6.044 6.139 1.00 84.52 C +HETATM 57 OD1 HYP A 9 -9.977 8.032 7.137 1.00 80.49 O +ATOM 58 N GLY A 10 -11.914 4.728 10.363 1.00 86.16 N +ATOM 59 CA GLY A 10 -12.404 3.733 11.276 1.00 82.56 C +ATOM 60 C GLY A 10 -11.230 3.212 12.072 1.00 82.39 C +ATOM 61 O GLY A 10 -11.271 2.113 12.620 1.00 79.77 O +ATOM 62 N GLY A 11 -10.199 4.011 12.076 1.00 82.58 N +ATOM 63 CA GLY A 11 -8.882 3.650 12.536 1.00 81.48 C +ATOM 64 C GLY A 11 -8.082 3.414 11.271 1.00 83.14 C +ATOM 65 O GLY A 11 -8.280 2.412 10.588 1.00 79.53 O +ATOM 66 N LEU A 12 -7.214 4.355 10.920 1.00 82.45 N +ATOM 67 CA LEU A 12 -6.429 4.202 9.701 1.00 85.05 C +ATOM 68 C LEU A 12 -5.650 2.906 9.752 1.00 85.49 C +ATOM 69 O LEU A 12 -5.076 2.546 10.781 1.00 81.24 O +ATOM 70 CB LEU A 12 -5.456 5.364 9.521 1.00 82.26 C +ATOM 71 CG LEU A 12 -6.062 6.710 9.150 1.00 76.27 C +ATOM 72 CD1 LEU A 12 -4.970 7.759 9.090 1.00 74.81 C +ATOM 73 CD2 LEU A 12 -6.785 6.647 7.814 1.00 71.41 C +ATOM 74 N GLY A 13 -5.617 2.235 8.622 1.00 87.46 N +ATOM 75 CA GLY A 13 -4.842 1.020 8.524 1.00 85.46 C +ATOM 76 C GLY A 13 -3.400 1.318 8.189 1.00 85.53 C +ATOM 77 O GLY A 13 -3.013 2.472 7.999 1.00 84.75 O +ATOM 78 N PRO A 14 -2.583 0.295 8.120 1.00 85.53 N +ATOM 79 CA PRO A 14 -1.172 0.474 7.777 1.00 85.27 C +ATOM 80 C PRO A 14 -1.025 0.828 6.309 1.00 85.20 C +ATOM 81 O PRO A 14 -1.953 0.681 5.525 1.00 82.88 O +ATOM 82 CB PRO A 14 -0.564 -0.889 8.080 1.00 82.80 C +ATOM 83 CG PRO A 14 -1.687 -1.839 7.841 1.00 82.24 C +ATOM 84 CD PRO A 14 -2.908 -1.117 8.348 1.00 81.59 C +HETATM 85 N HYP A 15 0.145 1.291 5.939 1.00 83.59 N +HETATM 86 CA HYP A 15 0.427 1.501 4.572 1.00 85.85 C +HETATM 87 C HYP A 15 0.221 0.287 3.756 1.00 86.79 C +HETATM 88 O HYP A 15 0.402 -0.824 4.290 1.00 84.10 O +HETATM 89 CB HYP A 15 1.839 2.072 4.606 1.00 80.15 C +HETATM 90 CG HYP A 15 1.872 2.738 5.972 1.00 79.20 C +HETATM 91 CD HYP A 15 1.159 1.735 6.819 1.00 83.93 C +HETATM 92 OD1 HYP A 15 1.186 3.960 5.954 1.00 83.67 O +ATOM 93 N GLY A 16 -0.156 0.424 2.548 1.00 87.63 N +ATOM 94 CA GLY A 16 -0.366 -0.698 1.685 1.00 86.48 C +ATOM 95 C GLY A 16 0.934 -1.408 1.364 1.00 87.20 C +ATOM 96 O GLY A 16 2.016 -0.951 1.731 1.00 86.42 O +ATOM 97 N PRO A 17 0.819 -2.530 0.683 1.00 82.84 N +ATOM 98 CA PRO A 17 2.012 -3.288 0.324 1.00 82.67 C +ATOM 99 C PRO A 17 2.826 -2.574 -0.744 1.00 83.12 C +ATOM 100 O PRO A 17 2.340 -1.686 -1.427 1.00 81.57 O +ATOM 101 CB PRO A 17 1.444 -4.612 -0.185 1.00 80.39 C +ATOM 102 CG PRO A 17 0.105 -4.239 -0.718 1.00 79.04 C +ATOM 103 CD PRO A 17 -0.403 -3.179 0.221 1.00 80.06 C +HETATM 104 N HYP A 18 4.061 -2.964 -0.892 1.00 82.85 N +HETATM 105 CA HYP A 18 4.890 -2.438 -1.909 1.00 85.99 C +HETATM 106 C HYP A 18 4.311 -2.618 -3.261 1.00 84.38 C +HETATM 107 O HYP A 18 3.635 -3.629 -3.515 1.00 83.46 O +HETATM 108 CB HYP A 18 6.183 -3.225 -1.730 1.00 79.53 C +HETATM 109 CG HYP A 18 6.173 -3.591 -0.279 1.00 74.94 C +HETATM 110 CD HYP A 18 4.734 -3.894 -0.032 1.00 82.58 C +HETATM 111 OD1 HYP A 18 6.568 -2.506 0.542 1.00 79.43 O +ATOM 112 N GLY A 19 4.487 -1.656 -4.126 1.00 83.82 N +ATOM 113 CA GLY A 19 4.019 -1.752 -5.480 1.00 82.45 C +ATOM 114 C GLY A 19 4.817 -2.786 -6.257 1.00 83.02 C +ATOM 115 O GLY A 19 5.826 -3.299 -5.776 1.00 82.70 O +ATOM 116 N PRO A 20 4.357 -3.088 -7.447 1.00 78.62 N +ATOM 117 CA PRO A 20 5.040 -4.078 -8.263 1.00 79.66 C +ATOM 118 C PRO A 20 6.364 -3.560 -8.792 1.00 78.71 C +ATOM 119 O PRO A 20 6.620 -2.364 -8.801 1.00 78.80 O +ATOM 120 CB PRO A 20 4.042 -4.336 -9.394 1.00 78.95 C +ATOM 121 CG PRO A 20 3.331 -3.033 -9.524 1.00 75.71 C +ATOM 122 CD PRO A 20 3.187 -2.533 -8.106 1.00 74.74 C +HETATM 123 N HYP A 21 7.208 -4.461 -9.203 1.00 81.05 N +HETATM 124 CA HYP A 21 8.432 -4.095 -9.855 1.00 84.86 C +HETATM 125 C HYP A 21 8.229 -3.234 -11.063 1.00 80.49 C +HETATM 126 O HYP A 21 7.205 -3.373 -11.734 1.00 79.67 O +HETATM 127 CB HYP A 21 9.022 -5.465 -10.222 1.00 76.09 C +HETATM 128 CG HYP A 21 8.458 -6.408 -9.173 1.00 74.68 C +HETATM 129 CD HYP A 21 7.074 -5.888 -8.985 1.00 80.70 C +HETATM 130 OD1 HYP A 21 9.158 -6.289 -7.944 1.00 78.57 O +ATOM 131 N GLY A 22 9.103 -2.287 -11.329 1.00 80.22 N +ATOM 132 CA GLY A 22 8.988 -1.420 -12.465 1.00 78.09 C +ATOM 133 C GLY A 22 9.161 -2.185 -13.771 1.00 77.02 C +ATOM 134 O GLY A 22 9.513 -3.362 -13.771 1.00 77.66 O +ATOM 135 N PRO A 23 8.931 -1.498 -14.869 1.00 80.10 N +ATOM 136 CA PRO A 23 9.061 -2.148 -16.167 1.00 82.86 C +ATOM 137 C PRO A 23 10.516 -2.406 -16.503 1.00 81.74 C +ATOM 138 O PRO A 23 11.418 -1.810 -15.927 1.00 80.47 O +ATOM 139 CB PRO A 23 8.424 -1.147 -17.121 1.00 79.15 C +ATOM 140 CG PRO A 23 8.680 0.163 -16.467 1.00 73.60 C +ATOM 141 CD PRO A 23 8.523 -0.113 -14.995 1.00 74.89 C +HETATM 142 N HYP A 24 10.751 -3.220 -17.422 1.00 82.38 N +HETATM 143 CA HYP A 24 12.130 -3.498 -17.830 1.00 82.23 C +HETATM 144 C HYP A 24 12.732 -2.232 -18.317 1.00 75.45 C +HETATM 145 O HYP A 24 13.935 -2.084 -18.271 1.00 75.72 O +HETATM 146 CB HYP A 24 11.938 -4.473 -19.010 1.00 76.06 C +HETATM 147 CG HYP A 24 10.619 -5.091 -18.824 1.00 76.29 C +HETATM 148 CD HYP A 24 9.822 -4.037 -18.150 1.00 78.02 C +HETATM 149 OD1 HYP A 24 10.726 -6.212 -17.951 1.00 80.96 O +HETATM 150 OXT HYP A 24 12.010 -1.376 -18.866 1.00 76.87 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_433.txt b/protein_pdb_433.txt new file mode 100644 index 0000000000000000000000000000000000000000..ba102afef8eca7c1e32a2f809e90a17abcf407ea --- /dev/null +++ b/protein_pdb_433.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 10.142 -0.584 -11.300 1.00 77.41 N +ATOM 2 CA GLY A 1 10.044 0.718 -10.662 1.00 80.54 C +ATOM 3 C GLY A 1 9.924 0.592 -9.169 1.00 83.03 C +ATOM 4 O GLY A 1 9.942 -0.515 -8.630 1.00 79.39 O +ATOM 5 N PRO A 2 9.790 1.703 -8.477 1.00 77.21 N +ATOM 6 CA PRO A 2 9.687 1.670 -7.025 1.00 80.79 C +ATOM 7 C PRO A 2 8.373 1.066 -6.558 1.00 81.53 C +ATOM 8 O PRO A 2 7.415 0.977 -7.316 1.00 78.93 O +ATOM 9 CB PRO A 2 9.791 3.139 -6.632 1.00 77.03 C +ATOM 10 CG PRO A 2 9.291 3.870 -7.820 1.00 72.60 C +ATOM 11 CD PRO A 2 9.709 3.060 -9.008 1.00 72.96 C +HETATM 12 N HYP A 3 8.370 0.653 -5.357 1.00 85.57 N +HETATM 13 CA HYP A 3 7.110 0.164 -4.731 1.00 81.15 C +HETATM 14 C HYP A 3 6.052 1.219 -4.780 1.00 84.55 C +HETATM 15 O HYP A 3 6.346 2.435 -4.720 1.00 87.30 O +HETATM 16 CB HYP A 3 7.563 -0.146 -3.278 1.00 83.11 C +HETATM 17 CG HYP A 3 9.036 -0.520 -3.427 1.00 78.37 C +HETATM 18 CD HYP A 3 9.521 0.502 -4.492 1.00 83.21 C +HETATM 19 OD1 HYP A 3 9.129 -1.813 -3.950 1.00 83.49 O +ATOM 20 N GLY A 4 4.823 0.758 -4.945 1.00 89.00 N +ATOM 21 CA GLY A 4 3.705 1.661 -4.943 1.00 88.45 C +ATOM 22 C GLY A 4 3.507 2.307 -3.584 1.00 88.94 C +ATOM 23 O GLY A 4 4.120 1.912 -2.596 1.00 88.87 O +ATOM 24 N PRO A 5 2.649 3.313 -3.536 1.00 87.90 N +ATOM 25 CA PRO A 5 2.390 3.995 -2.273 1.00 87.88 C +ATOM 26 C PRO A 5 1.603 3.116 -1.318 1.00 88.21 C +ATOM 27 O PRO A 5 0.968 2.149 -1.722 1.00 86.66 O +ATOM 28 CB PRO A 5 1.586 5.222 -2.699 1.00 85.41 C +ATOM 29 CG PRO A 5 0.903 4.793 -3.945 1.00 83.55 C +ATOM 30 CD PRO A 5 1.854 3.859 -4.636 1.00 85.26 C +HETATM 31 N HYP A 6 1.676 3.473 -0.051 1.00 89.39 N +HETATM 32 CA HYP A 6 0.873 2.766 0.944 1.00 93.05 C +HETATM 33 C HYP A 6 -0.590 2.912 0.679 1.00 90.26 C +HETATM 34 O HYP A 6 -1.050 3.946 0.149 1.00 88.82 O +HETATM 35 CB HYP A 6 1.263 3.539 2.250 1.00 85.23 C +HETATM 36 CG HYP A 6 2.648 4.048 1.968 1.00 84.22 C +HETATM 37 CD HYP A 6 2.562 4.467 0.516 1.00 88.35 C +HETATM 38 OD1 HYP A 6 3.568 2.981 2.099 1.00 84.01 O +ATOM 39 N GLY A 7 -1.308 1.854 0.961 1.00 90.51 N +ATOM 40 CA GLY A 7 -2.740 1.891 0.818 1.00 89.56 C +ATOM 41 C GLY A 7 -3.368 2.863 1.797 1.00 90.32 C +ATOM 42 O GLY A 7 -2.713 3.379 2.703 1.00 89.69 O +ATOM 43 N PRO A 8 -4.644 3.118 1.617 1.00 87.02 N +ATOM 44 CA PRO A 8 -5.342 4.028 2.517 1.00 87.56 C +ATOM 45 C PRO A 8 -5.556 3.399 3.885 1.00 87.91 C +ATOM 46 O PRO A 8 -5.509 2.186 4.046 1.00 84.95 O +ATOM 47 CB PRO A 8 -6.666 4.281 1.808 1.00 84.38 C +ATOM 48 CG PRO A 8 -6.891 3.042 1.026 1.00 82.29 C +ATOM 49 CD PRO A 8 -5.532 2.576 0.589 1.00 83.65 C +HETATM 50 N HYP A 9 -5.788 4.258 4.866 1.00 86.57 N +HETATM 51 CA HYP A 9 -6.105 3.781 6.179 1.00 90.59 C +HETATM 52 C HYP A 9 -7.394 3.038 6.211 1.00 87.35 C +HETATM 53 O HYP A 9 -8.321 3.333 5.442 1.00 86.60 O +HETATM 54 CB HYP A 9 -6.236 5.100 7.001 1.00 83.99 C +HETATM 55 CG HYP A 9 -5.418 6.086 6.264 1.00 82.74 C +HETATM 56 CD HYP A 9 -5.613 5.728 4.832 1.00 86.89 C +HETATM 57 OD1 HYP A 9 -4.059 5.895 6.596 1.00 81.58 O +ATOM 58 N GLY A 10 -7.510 2.019 7.019 1.00 87.83 N +ATOM 59 CA GLY A 10 -8.789 1.409 7.302 1.00 85.27 C +ATOM 60 C GLY A 10 -9.668 2.372 8.074 1.00 85.53 C +ATOM 61 O GLY A 10 -9.279 3.501 8.361 1.00 83.97 O +ATOM 62 N ILE A 11 -10.855 1.918 8.434 1.00 89.94 N +ATOM 63 CA ILE A 11 -11.766 2.830 9.135 1.00 90.81 C +ATOM 64 C ILE A 11 -11.139 3.406 10.405 1.00 90.55 C +ATOM 65 O ILE A 11 -11.339 4.581 10.705 1.00 87.93 O +ATOM 66 CB ILE A 11 -13.124 2.157 9.426 1.00 89.26 C +ATOM 67 CG1 ILE A 11 -12.962 0.864 10.221 1.00 85.39 C +ATOM 68 CG2 ILE A 11 -13.871 1.914 8.130 1.00 83.50 C +ATOM 69 CD1 ILE A 11 -14.295 0.281 10.686 1.00 77.25 C +ATOM 70 N ASP A 12 -10.365 2.594 11.109 1.00 88.70 N +ATOM 71 CA ASP A 12 -9.627 3.037 12.290 1.00 90.61 C +ATOM 72 C ASP A 12 -8.227 2.439 12.299 1.00 91.43 C +ATOM 73 O ASP A 12 -7.680 2.166 13.362 1.00 86.71 O +ATOM 74 CB ASP A 12 -10.363 2.632 13.569 1.00 88.09 C +ATOM 75 CG ASP A 12 -11.655 3.398 13.775 1.00 81.53 C +ATOM 76 OD1 ASP A 12 -12.731 2.768 13.748 1.00 80.22 O +ATOM 77 OD2 ASP A 12 -11.591 4.632 13.981 1.00 78.80 O +ATOM 78 N GLY A 13 -7.655 2.213 11.133 1.00 92.16 N +ATOM 79 CA GLY A 13 -6.459 1.396 11.040 1.00 91.01 C +ATOM 80 C GLY A 13 -5.310 2.050 10.315 1.00 91.34 C +ATOM 81 O GLY A 13 -5.424 3.155 9.786 1.00 90.83 O +ATOM 82 N PRO A 14 -4.180 1.361 10.309 1.00 91.53 N +ATOM 83 CA PRO A 14 -2.985 1.865 9.653 1.00 91.27 C +ATOM 84 C PRO A 14 -3.121 1.818 8.139 1.00 91.61 C +ATOM 85 O PRO A 14 -4.007 1.170 7.598 1.00 89.35 O +ATOM 86 CB PRO A 14 -1.896 0.908 10.131 1.00 88.93 C +ATOM 87 CG PRO A 14 -2.619 -0.369 10.341 1.00 87.56 C +ATOM 88 CD PRO A 14 -3.976 0.016 10.861 1.00 88.78 C +HETATM 89 N HYP A 15 -2.204 2.501 7.510 1.00 91.77 N +HETATM 90 CA HYP A 15 -2.122 2.424 6.069 1.00 94.96 C +HETATM 91 C HYP A 15 -1.852 1.035 5.584 1.00 94.28 C +HETATM 92 O HYP A 15 -1.220 0.243 6.305 1.00 92.90 O +HETATM 93 CB HYP A 15 -0.911 3.343 5.778 1.00 88.43 C +HETATM 94 CG HYP A 15 -0.876 4.306 6.944 1.00 86.73 C +HETATM 95 CD HYP A 15 -1.273 3.434 8.112 1.00 90.94 C +HETATM 96 OD1 HYP A 15 -1.830 5.321 6.776 1.00 87.78 O +ATOM 97 N GLY A 16 -2.349 0.724 4.435 1.00 93.73 N +ATOM 98 CA GLY A 16 -2.062 -0.551 3.844 1.00 93.35 C +ATOM 99 C GLY A 16 -0.604 -0.672 3.461 1.00 93.94 C +ATOM 100 O GLY A 16 0.155 0.297 3.515 1.00 93.34 O +ATOM 101 N PRO A 17 -0.201 -1.883 3.074 1.00 90.21 N +ATOM 102 CA PRO A 17 1.181 -2.097 2.681 1.00 90.25 C +ATOM 103 C PRO A 17 1.495 -1.418 1.358 1.00 90.93 C +ATOM 104 O PRO A 17 0.601 -1.091 0.583 1.00 88.87 O +ATOM 105 CB PRO A 17 1.287 -3.617 2.574 1.00 88.16 C +ATOM 106 CG PRO A 17 -0.093 -4.053 2.259 1.00 87.13 C +ATOM 107 CD PRO A 17 -1.007 -3.099 2.968 1.00 88.07 C +HETATM 108 N HYP A 18 2.786 -1.228 1.109 1.00 87.89 N +HETATM 109 CA HYP A 18 3.206 -0.700 -0.145 1.00 91.16 C +HETATM 110 C HYP A 18 2.805 -1.572 -1.293 1.00 90.27 C +HETATM 111 O HYP A 18 2.723 -2.814 -1.151 1.00 89.48 O +HETATM 112 CB HYP A 18 4.752 -0.698 -0.009 1.00 86.06 C +HETATM 113 CG HYP A 18 4.971 -0.562 1.478 1.00 84.57 C +HETATM 114 CD HYP A 18 3.858 -1.428 2.042 1.00 88.85 C +HETATM 115 OD1 HYP A 18 4.764 0.792 1.880 1.00 86.78 O +ATOM 116 N GLY A 19 2.496 -0.975 -2.406 1.00 88.34 N +ATOM 117 CA GLY A 19 2.193 -1.711 -3.601 1.00 87.87 C +ATOM 118 C GLY A 19 3.422 -2.406 -4.153 1.00 88.54 C +ATOM 119 O GLY A 19 4.542 -2.184 -3.700 1.00 88.38 O +ATOM 120 N PRO A 20 3.210 -3.263 -5.131 1.00 81.90 N +ATOM 121 CA PRO A 20 4.323 -3.978 -5.732 1.00 82.07 C +ATOM 122 C PRO A 20 5.190 -3.052 -6.571 1.00 82.24 C +ATOM 123 O PRO A 20 4.780 -1.952 -6.925 1.00 81.89 O +ATOM 124 CB PRO A 20 3.631 -5.034 -6.597 1.00 79.90 C +ATOM 125 CG PRO A 20 2.326 -4.411 -6.944 1.00 77.46 C +ATOM 126 CD PRO A 20 1.931 -3.586 -5.754 1.00 78.17 C +HETATM 127 N HYP A 21 6.395 -3.524 -6.849 1.00 87.96 N +HETATM 128 CA HYP A 21 7.257 -2.786 -7.732 1.00 88.79 C +HETATM 129 C HYP A 21 6.630 -2.484 -9.074 1.00 87.65 C +HETATM 130 O HYP A 21 5.855 -3.302 -9.571 1.00 88.27 O +HETATM 131 CB HYP A 21 8.493 -3.677 -7.884 1.00 83.16 C +HETATM 132 CG HYP A 21 8.524 -4.463 -6.597 1.00 80.07 C +HETATM 133 CD HYP A 21 7.065 -4.724 -6.314 1.00 85.09 C +HETATM 134 OD1 HYP A 21 9.025 -3.639 -5.538 1.00 81.08 O +ATOM 135 N GLY A 22 6.868 -1.309 -9.595 1.00 85.64 N +ATOM 136 CA GLY A 22 6.366 -0.946 -10.889 1.00 83.45 C +ATOM 137 C GLY A 22 7.045 -1.735 -11.997 1.00 83.94 C +ATOM 138 O GLY A 22 7.961 -2.519 -11.746 1.00 83.20 O +ATOM 139 N PRO A 23 6.613 -1.519 -13.241 1.00 86.60 N +ATOM 140 CA PRO A 23 7.200 -2.238 -14.362 1.00 86.75 C +ATOM 141 C PRO A 23 8.639 -1.813 -14.588 1.00 86.00 C +ATOM 142 O PRO A 23 9.070 -0.753 -14.149 1.00 81.77 O +ATOM 143 CB PRO A 23 6.308 -1.867 -15.532 1.00 82.62 C +ATOM 144 CG PRO A 23 5.752 -0.546 -15.159 1.00 80.00 C +ATOM 145 CD PRO A 23 5.592 -0.581 -13.664 1.00 82.35 C +HETATM 146 N HYP A 24 9.379 -2.550 -15.247 1.00 90.07 N +HETATM 147 CA HYP A 24 10.791 -2.247 -15.467 1.00 83.53 C +HETATM 148 C HYP A 24 11.083 -0.809 -15.616 1.00 85.65 C +HETATM 149 O HYP A 24 11.388 -0.300 -16.692 1.00 78.03 O +HETATM 150 CB HYP A 24 11.190 -3.080 -16.651 1.00 80.87 C +HETATM 151 CG HYP A 24 10.105 -4.103 -16.864 1.00 79.93 C +HETATM 152 CD HYP A 24 8.890 -3.560 -16.148 1.00 86.32 C +HETATM 153 OD1 HYP A 24 10.466 -5.312 -16.202 1.00 80.05 O +HETATM 154 OXT HYP A 24 11.043 -0.162 -14.547 1.00 75.95 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_434.txt b/protein_pdb_434.txt new file mode 100644 index 0000000000000000000000000000000000000000..f5d2517f848e4b852dc377236d09fb21c4670651 --- /dev/null +++ b/protein_pdb_434.txt @@ -0,0 +1,208 @@ +ATOM 1 N GLY A 1 45.809 -4.470 -5.853 1.00 93.69 N +ATOM 2 CA GLY A 1 45.135 -3.473 -5.022 1.00 94.46 C +ATOM 3 C GLY A 1 43.946 -4.064 -4.296 1.00 94.84 C +ATOM 4 O GLY A 1 43.524 -5.180 -4.603 1.00 92.58 O +ATOM 5 N SER A 2 43.370 -3.308 -3.375 1.00 96.92 N +ATOM 6 CA SER A 2 42.213 -3.755 -2.612 1.00 96.86 C +ATOM 7 C SER A 2 40.943 -3.636 -3.448 1.00 97.14 C +ATOM 8 O SER A 2 40.844 -2.780 -4.328 1.00 96.07 O +ATOM 9 CB SER A 2 42.056 -2.927 -1.342 1.00 93.88 C +ATOM 10 OG SER A 2 43.194 -3.077 -0.513 1.00 85.34 O +HETATM 11 N HYP A 3 40.030 -4.470 -3.216 1.00 96.61 N +HETATM 12 CA HYP A 3 38.724 -4.392 -3.838 1.00 96.32 C +HETATM 13 C HYP A 3 37.994 -3.072 -3.614 1.00 96.21 C +HETATM 14 O HYP A 3 38.158 -2.454 -2.539 1.00 95.42 O +HETATM 15 CB HYP A 3 37.900 -5.549 -3.234 1.00 96.41 C +HETATM 16 CG HYP A 3 38.906 -6.488 -2.732 1.00 95.70 C +HETATM 17 CD HYP A 3 40.082 -5.606 -2.305 1.00 95.72 C +HETATM 18 OD1 HYP A 3 39.337 -7.386 -3.699 1.00 95.86 O +ATOM 19 N GLY A 4 37.167 -2.670 -4.581 1.00 97.59 N +ATOM 20 CA GLY A 4 36.404 -1.449 -4.451 1.00 96.92 C +ATOM 21 C GLY A 4 35.353 -1.573 -3.355 1.00 97.03 C +ATOM 22 O GLY A 4 34.998 -2.672 -2.929 1.00 96.83 O +ATOM 23 N ALA A 5 34.842 -0.420 -2.912 1.00 97.30 N +ATOM 24 CA ALA A 5 33.835 -0.388 -1.860 1.00 96.77 C +ATOM 25 C ALA A 5 32.512 -0.973 -2.352 1.00 96.34 C +ATOM 26 O ALA A 5 32.159 -0.857 -3.528 1.00 94.66 O +ATOM 27 CB ALA A 5 33.624 1.036 -1.372 1.00 94.53 C +ATOM 28 N GLN A 6 31.736 -1.585 -1.443 1.00 95.93 N +ATOM 29 CA GLN A 6 30.445 -2.146 -1.790 1.00 95.22 C +ATOM 30 C GLN A 6 29.484 -1.030 -2.176 1.00 95.59 C +ATOM 31 O GLN A 6 29.515 0.060 -1.616 1.00 94.15 O +ATOM 32 CB GLN A 6 29.879 -2.938 -0.602 1.00 92.29 C +ATOM 33 CG GLN A 6 28.574 -3.664 -0.911 1.00 85.05 C +ATOM 34 CD GLN A 6 28.097 -4.518 0.243 1.00 82.07 C +ATOM 35 OE1 GLN A 6 28.652 -4.463 1.336 1.00 79.91 O +ATOM 36 NE2 GLN A 6 27.058 -5.315 0.005 1.00 77.09 N +ATOM 37 N GLY A 7 28.644 -1.299 -3.148 1.00 97.11 N +ATOM 38 CA GLY A 7 27.686 -0.303 -3.591 1.00 96.71 C +ATOM 39 C GLY A 7 26.653 0.033 -2.539 1.00 96.93 C +ATOM 40 O GLY A 7 26.448 -0.719 -1.584 1.00 96.92 O +ATOM 41 N LEU A 8 25.980 1.171 -2.719 1.00 96.94 N +ATOM 42 CA LEU A 8 24.948 1.611 -1.788 1.00 97.06 C +ATOM 43 C LEU A 8 23.706 0.741 -1.928 1.00 96.90 C +ATOM 44 O LEU A 8 23.381 0.259 -3.010 1.00 96.40 O +ATOM 45 CB LEU A 8 24.575 3.067 -2.051 1.00 95.76 C +ATOM 46 CG LEU A 8 25.691 4.102 -1.846 1.00 89.82 C +ATOM 47 CD1 LEU A 8 25.194 5.476 -2.274 1.00 86.67 C +ATOM 48 CD2 LEU A 8 26.140 4.123 -0.394 1.00 85.11 C +ATOM 49 N GLN A 9 22.990 0.568 -0.815 1.00 96.60 N +ATOM 50 CA GLN A 9 21.753 -0.199 -0.838 1.00 96.91 C +ATOM 51 C GLN A 9 20.722 0.553 -1.663 1.00 96.89 C +ATOM 52 O GLN A 9 20.649 1.777 -1.623 1.00 95.24 O +ATOM 53 CB GLN A 9 21.239 -0.424 0.585 1.00 95.48 C +ATOM 54 CG GLN A 9 19.995 -1.296 0.656 1.00 92.17 C +ATOM 55 CD GLN A 9 19.555 -1.585 2.080 1.00 88.16 C +ATOM 56 OE1 GLN A 9 20.042 -0.966 3.030 1.00 85.21 O +ATOM 57 NE2 GLN A 9 18.642 -2.517 2.245 1.00 82.98 N +ATOM 58 N GLY A 10 19.930 -0.181 -2.420 1.00 97.36 N +ATOM 59 CA GLY A 10 18.909 0.444 -3.245 1.00 96.98 C +ATOM 60 C GLY A 10 17.809 1.091 -2.423 1.00 97.24 C +ATOM 61 O GLY A 10 17.684 0.837 -1.223 1.00 97.44 O +ATOM 62 N PRO A 11 16.977 1.933 -3.057 1.00 97.66 N +ATOM 63 CA PRO A 11 15.899 2.610 -2.334 1.00 97.58 C +ATOM 64 C PRO A 11 14.805 1.643 -1.907 1.00 97.69 C +ATOM 65 O PRO A 11 14.638 0.569 -2.476 1.00 97.03 O +ATOM 66 CB PRO A 11 15.373 3.625 -3.354 1.00 96.39 C +ATOM 67 CG PRO A 11 15.653 2.972 -4.668 1.00 95.07 C +ATOM 68 CD PRO A 11 16.987 2.291 -4.476 1.00 96.71 C +ATOM 69 N ARG A 12 14.040 2.041 -0.891 1.00 97.68 N +ATOM 70 CA ARG A 12 12.937 1.229 -0.413 1.00 97.48 C +ATOM 71 C ARG A 12 11.862 1.144 -1.487 1.00 97.65 C +ATOM 72 O ARG A 12 11.643 2.100 -2.234 1.00 97.29 O +ATOM 73 CB ARG A 12 12.363 1.823 0.877 1.00 95.93 C +ATOM 74 CG ARG A 12 11.290 0.967 1.517 1.00 91.68 C +ATOM 75 CD ARG A 12 10.850 1.533 2.846 1.00 88.38 C +ATOM 76 NE ARG A 12 9.851 0.694 3.492 1.00 83.70 N +ATOM 77 CZ ARG A 12 9.365 0.896 4.700 1.00 80.81 C +ATOM 78 NH1 ARG A 12 9.765 1.927 5.422 1.00 77.20 N +ATOM 79 NH2 ARG A 12 8.462 0.075 5.204 1.00 76.95 N +ATOM 80 N GLY A 13 11.203 0.004 -1.566 1.00 98.16 N +ATOM 81 CA GLY A 13 10.147 -0.184 -2.541 1.00 97.86 C +ATOM 82 C GLY A 13 8.945 0.702 -2.293 1.00 98.12 C +ATOM 83 O GLY A 13 8.788 1.283 -1.213 1.00 98.04 O +ATOM 84 N LEU A 14 8.083 0.816 -3.307 1.00 97.87 N +ATOM 85 CA LEU A 14 6.871 1.621 -3.215 1.00 97.86 C +ATOM 86 C LEU A 14 5.874 0.990 -2.256 1.00 97.90 C +ATOM 87 O LEU A 14 5.863 -0.218 -2.065 1.00 97.88 O +ATOM 88 CB LEU A 14 6.226 1.764 -4.588 1.00 96.96 C +ATOM 89 CG LEU A 14 7.045 2.522 -5.627 1.00 92.18 C +ATOM 90 CD1 LEU A 14 6.359 2.430 -6.985 1.00 90.57 C +ATOM 91 CD2 LEU A 14 7.216 3.975 -5.213 1.00 89.57 C +HETATM 92 N HYP A 15 4.986 1.779 -1.710 1.00 97.79 N +HETATM 93 CA HYP A 15 3.938 1.292 -0.821 1.00 97.71 C +HETATM 94 C HYP A 15 2.976 0.354 -1.548 1.00 97.79 C +HETATM 95 O HYP A 15 2.802 0.450 -2.787 1.00 97.11 O +HETATM 96 CB HYP A 15 3.189 2.594 -0.386 1.00 96.67 C +HETATM 97 CG HYP A 15 4.220 3.670 -0.551 1.00 95.82 C +HETATM 98 CD HYP A 15 5.012 3.257 -1.743 1.00 96.73 C +HETATM 99 OD1 HYP A 15 5.060 3.746 0.577 1.00 95.63 O +ATOM 100 N GLY A 16 2.371 -0.531 -0.826 1.00 98.24 N +ATOM 101 CA GLY A 16 1.405 -1.424 -1.415 1.00 98.06 C +ATOM 102 C GLY A 16 0.177 -0.666 -1.900 1.00 98.26 C +ATOM 103 O GLY A 16 -0.015 0.515 -1.584 1.00 98.14 O +ATOM 104 N THR A 17 -0.664 -1.360 -2.681 1.00 98.16 N +ATOM 105 CA THR A 17 -1.886 -0.753 -3.197 1.00 98.01 C +ATOM 106 C THR A 17 -2.899 -0.546 -2.080 1.00 98.19 C +ATOM 107 O THR A 17 -2.865 -1.228 -1.062 1.00 97.89 O +ATOM 108 CB THR A 17 -2.497 -1.621 -4.296 1.00 96.97 C +ATOM 109 OG1 THR A 17 -2.766 -2.915 -3.777 1.00 94.14 O +ATOM 110 CG2 THR A 17 -1.536 -1.750 -5.466 1.00 93.04 C +HETATM 111 N HYP A 18 -3.828 0.349 -2.253 1.00 97.56 N +HETATM 112 CA HYP A 18 -4.884 0.638 -1.302 1.00 97.59 C +HETATM 113 C HYP A 18 -5.789 -0.571 -1.081 1.00 97.23 C +HETATM 114 O HYP A 18 -5.983 -1.394 -2.004 1.00 97.02 O +HETATM 115 CB HYP A 18 -5.672 1.778 -1.924 1.00 96.17 C +HETATM 116 CG HYP A 18 -4.663 2.457 -2.776 1.00 95.73 C +HETATM 117 CD HYP A 18 -3.801 1.351 -3.287 1.00 96.89 C +HETATM 118 OD1 HYP A 18 -3.867 3.344 -2.030 1.00 95.36 O +ATOM 119 N GLY A 19 -6.335 -0.660 0.089 1.00 98.01 N +ATOM 120 CA GLY A 19 -7.251 -1.732 0.388 1.00 97.66 C +ATOM 121 C GLY A 19 -8.541 -1.586 -0.404 1.00 97.92 C +ATOM 122 O GLY A 19 -8.765 -0.567 -1.068 1.00 98.05 O +ATOM 123 N PRO A 20 -9.407 -2.605 -0.347 1.00 97.70 N +ATOM 124 CA PRO A 20 -10.665 -2.575 -1.079 1.00 97.49 C +ATOM 125 C PRO A 20 -11.634 -1.546 -0.506 1.00 97.72 C +ATOM 126 O PRO A 20 -11.535 -1.164 0.654 1.00 97.59 O +ATOM 127 CB PRO A 20 -11.202 -3.994 -0.917 1.00 96.16 C +ATOM 128 CG PRO A 20 -10.632 -4.430 0.385 1.00 95.01 C +ATOM 129 CD PRO A 20 -9.250 -3.838 0.414 1.00 96.94 C +HETATM 130 N HYP A 21 -12.579 -1.104 -1.290 1.00 96.88 N +HETATM 131 CA HYP A 21 -13.631 -0.210 -0.877 1.00 96.66 C +HETATM 132 C HYP A 21 -14.483 -0.792 0.261 1.00 96.76 C +HETATM 133 O HYP A 21 -14.609 -2.026 0.355 1.00 96.45 O +HETATM 134 CB HYP A 21 -14.497 -0.031 -2.134 1.00 95.30 C +HETATM 135 CG HYP A 21 -13.530 -0.240 -3.249 1.00 93.47 C +HETATM 136 CD HYP A 21 -12.635 -1.336 -2.723 1.00 95.95 C +HETATM 137 OD1 HYP A 21 -12.756 0.904 -3.491 1.00 94.10 O +ATOM 138 N GLY A 22 -14.997 0.049 1.097 1.00 97.42 N +ATOM 139 CA GLY A 22 -15.847 -0.393 2.166 1.00 96.98 C +ATOM 140 C GLY A 22 -17.150 -0.963 1.628 1.00 97.34 C +ATOM 141 O GLY A 22 -17.451 -0.834 0.437 1.00 97.63 O +ATOM 142 N PRO A 23 -17.958 -1.577 2.499 1.00 97.44 N +ATOM 143 CA PRO A 23 -19.225 -2.168 2.077 1.00 97.17 C +ATOM 144 C PRO A 23 -20.240 -1.099 1.700 1.00 97.32 C +ATOM 145 O PRO A 23 -20.156 0.040 2.144 1.00 96.93 O +ATOM 146 CB PRO A 23 -19.670 -2.957 3.307 1.00 95.50 C +ATOM 147 CG PRO A 23 -19.056 -2.215 4.440 1.00 94.07 C +ATOM 148 CD PRO A 23 -17.709 -1.773 3.925 1.00 96.55 C +HETATM 149 N HYP A 24 -21.216 -1.442 0.911 1.00 96.66 N +HETATM 150 CA HYP A 24 -22.288 -0.559 0.539 1.00 95.95 C +HETATM 151 C HYP A 24 -23.077 -0.074 1.756 1.00 95.86 C +HETATM 152 O HYP A 24 -23.179 -0.794 2.763 1.00 95.95 O +HETATM 153 CB HYP A 24 -23.177 -1.446 -0.350 1.00 94.51 C +HETATM 154 CG HYP A 24 -22.256 -2.454 -0.934 1.00 93.47 C +HETATM 155 CD HYP A 24 -21.279 -2.716 0.197 1.00 95.48 C +HETATM 156 OD1 HYP A 24 -21.542 -1.949 -2.045 1.00 92.48 O +ATOM 157 N GLY A 25 -23.606 1.100 1.672 1.00 95.90 N +ATOM 158 CA GLY A 25 -24.411 1.628 2.743 1.00 95.16 C +ATOM 159 C GLY A 25 -25.693 0.829 2.916 1.00 95.62 C +ATOM 160 O GLY A 25 -26.025 -0.022 2.084 1.00 96.10 O +ATOM 161 N PRO A 26 -26.446 1.109 3.989 1.00 96.60 N +ATOM 162 CA PRO A 26 -27.679 0.373 4.246 1.00 96.05 C +ATOM 163 C PRO A 26 -28.764 0.723 3.246 1.00 96.21 C +ATOM 164 O PRO A 26 -28.749 1.789 2.640 1.00 95.99 O +ATOM 165 CB PRO A 26 -28.053 0.821 5.662 1.00 93.94 C +ATOM 166 CG PRO A 26 -27.462 2.175 5.770 1.00 92.45 C +ATOM 167 CD PRO A 26 -26.157 2.095 5.023 1.00 95.48 C +HETATM 168 N HYP A 27 -29.735 -0.157 3.061 1.00 96.06 N +HETATM 169 CA HYP A 27 -30.852 0.098 2.196 1.00 94.78 C +HETATM 170 C HYP A 27 -31.676 1.281 2.656 1.00 95.59 C +HETATM 171 O HYP A 27 -31.738 1.571 3.835 1.00 95.26 O +HETATM 172 CB HYP A 27 -31.702 -1.209 2.361 1.00 93.68 C +HETATM 173 CG HYP A 27 -30.716 -2.282 2.743 1.00 92.83 C +HETATM 174 CD HYP A 27 -29.737 -1.527 3.613 1.00 94.99 C +HETATM 175 OD1 HYP A 27 -30.037 -2.780 1.608 1.00 91.28 O +ATOM 176 N GLY A 28 -32.297 1.950 1.727 1.00 94.41 N +ATOM 177 CA GLY A 28 -33.146 3.062 2.056 1.00 94.05 C +ATOM 178 C GLY A 28 -34.385 2.605 2.812 1.00 94.81 C +ATOM 179 O GLY A 28 -34.633 1.400 2.945 1.00 95.15 O +ATOM 180 N PRO A 29 -35.199 3.545 3.301 1.00 94.91 N +ATOM 181 CA PRO A 29 -36.411 3.203 4.037 1.00 94.69 C +ATOM 182 C PRO A 29 -37.387 2.425 3.171 1.00 94.73 C +ATOM 183 O PRO A 29 -37.422 2.615 1.956 1.00 93.90 O +ATOM 184 CB PRO A 29 -36.990 4.560 4.421 1.00 91.80 C +ATOM 185 CG PRO A 29 -35.824 5.479 4.377 1.00 89.90 C +ATOM 186 CD PRO A 29 -34.983 4.981 3.248 1.00 93.57 C +HETATM 187 N HYP A 30 -38.223 1.567 3.776 1.00 91.88 N +HETATM 188 CA HYP A 30 -39.216 0.827 3.030 1.00 92.76 C +HETATM 189 C HYP A 30 -40.227 1.730 2.412 1.00 88.48 C +HETATM 190 O HYP A 30 -40.582 2.750 2.987 1.00 88.95 O +HETATM 191 CB HYP A 30 -39.909 -0.050 4.147 1.00 87.45 C +HETATM 192 CG HYP A 30 -38.913 -0.157 5.252 1.00 86.76 C +HETATM 193 CD HYP A 30 -38.152 1.177 5.188 1.00 89.69 C +HETATM 194 OD1 HYP A 30 -38.006 -1.211 4.972 1.00 88.30 O +ATOM 195 N GLY A 31 -40.734 1.342 1.203 1.00 90.76 N +ATOM 196 CA GLY A 31 -41.747 2.113 0.527 1.00 88.57 C +ATOM 197 C GLY A 31 -43.017 2.164 1.369 1.00 86.92 C +ATOM 198 O GLY A 31 -43.276 1.292 2.189 1.00 83.46 O +ATOM 199 N VAL A 32 -43.826 3.205 1.142 1.00 92.34 N +ATOM 200 CA VAL A 32 -45.074 3.381 1.871 1.00 89.93 C +ATOM 201 C VAL A 32 -46.248 3.512 0.893 1.00 85.38 C +ATOM 202 O VAL A 32 -46.037 3.572 -0.320 1.00 81.39 O +ATOM 203 CB VAL A 32 -45.021 4.617 2.795 1.00 81.81 C +ATOM 204 CG1 VAL A 32 -43.966 4.422 3.866 1.00 71.73 C +ATOM 205 CG2 VAL A 32 -44.734 5.869 1.985 1.00 74.28 C +ATOM 206 OXT VAL A 32 -47.410 3.562 1.339 1.00 71.21 O +TER 207 VAL A 32 +END diff --git a/protein_pdb_435.txt b/protein_pdb_435.txt new file mode 100644 index 0000000000000000000000000000000000000000..4efe402b342aa84fc52ed929af0dfe0d079e0698 --- /dev/null +++ b/protein_pdb_435.txt @@ -0,0 +1,143 @@ +ATOM 1 N GLY A 1 9.950 -14.126 31.621 1.00 85.01 N +ATOM 2 CA GLY A 1 10.937 -13.858 30.562 1.00 87.31 C +ATOM 3 C GLY A 1 10.703 -12.502 29.919 1.00 88.53 C +ATOM 4 O GLY A 1 9.698 -11.850 30.196 1.00 86.65 O +ATOM 5 N PRO A 2 11.611 -12.054 29.057 1.00 85.86 N +ATOM 6 CA PRO A 2 11.451 -10.752 28.407 1.00 90.74 C +ATOM 7 C PRO A 2 10.296 -10.756 27.412 1.00 91.18 C +ATOM 8 O PRO A 2 9.926 -11.796 26.861 1.00 87.58 O +ATOM 9 CB PRO A 2 12.801 -10.531 27.717 1.00 86.50 C +ATOM 10 CG PRO A 2 13.264 -11.917 27.426 1.00 81.68 C +ATOM 11 CD PRO A 2 12.861 -12.709 28.651 1.00 82.01 C +ATOM 12 N ALA A 3 9.744 -9.570 27.182 1.00 89.49 N +ATOM 13 CA ALA A 3 8.646 -9.435 26.232 1.00 92.60 C +ATOM 14 C ALA A 3 9.157 -9.681 24.810 1.00 93.25 C +ATOM 15 O ALA A 3 10.310 -9.389 24.491 1.00 89.40 O +ATOM 16 CB ALA A 3 8.023 -8.044 26.330 1.00 88.22 C +ATOM 17 N GLY A 4 8.296 -10.213 23.970 1.00 93.99 N +ATOM 18 CA GLY A 4 8.679 -10.474 22.586 1.00 93.50 C +ATOM 19 C GLY A 4 8.790 -9.196 21.777 1.00 93.95 C +ATOM 20 O GLY A 4 8.278 -8.148 22.170 1.00 94.10 O +ATOM 21 N ALA A 5 9.474 -9.286 20.657 1.00 93.63 N +ATOM 22 CA ALA A 5 9.655 -8.133 19.779 1.00 94.47 C +ATOM 23 C ALA A 5 8.374 -7.861 19.001 1.00 94.53 C +ATOM 24 O ALA A 5 7.544 -8.747 18.810 1.00 92.15 O +ATOM 25 CB ALA A 5 10.802 -8.390 18.803 1.00 90.86 C +ATOM 26 N ALA A 6 8.228 -6.614 18.533 1.00 95.14 N +ATOM 27 CA ALA A 6 7.062 -6.249 17.742 1.00 95.64 C +ATOM 28 C ALA A 6 7.116 -7.015 16.422 1.00 95.98 C +ATOM 29 O ALA A 6 8.193 -7.305 15.895 1.00 92.98 O +ATOM 30 CB ALA A 6 7.050 -4.752 17.473 1.00 93.21 C +ATOM 31 N GLY A 7 5.957 -7.357 15.896 1.00 96.49 N +ATOM 32 CA GLY A 7 5.900 -8.087 14.644 1.00 95.96 C +ATOM 33 C GLY A 7 6.274 -7.212 13.456 1.00 96.23 C +ATOM 34 O GLY A 7 6.420 -5.992 13.598 1.00 96.40 O +ATOM 35 N PRO A 8 6.418 -7.819 12.275 1.00 96.97 N +ATOM 36 CA PRO A 8 6.784 -7.050 11.082 1.00 96.62 C +ATOM 37 C PRO A 8 5.619 -6.209 10.582 1.00 96.95 C +ATOM 38 O PRO A 8 4.463 -6.431 10.943 1.00 95.85 O +ATOM 39 CB PRO A 8 7.161 -8.136 10.075 1.00 94.74 C +ATOM 40 CG PRO A 8 6.273 -9.273 10.464 1.00 93.36 C +ATOM 41 CD PRO A 8 6.288 -9.243 11.981 1.00 95.40 C +ATOM 42 N ALA A 9 5.940 -5.231 9.749 1.00 96.65 N +ATOM 43 CA ALA A 9 4.911 -4.382 9.163 1.00 96.71 C +ATOM 44 C ALA A 9 4.004 -5.242 8.296 1.00 96.99 C +ATOM 45 O ALA A 9 4.441 -6.246 7.727 1.00 95.49 O +ATOM 46 CB ALA A 9 5.552 -3.282 8.318 1.00 95.18 C +ATOM 47 N GLY A 10 2.748 -4.848 8.196 1.00 97.55 N +ATOM 48 CA GLY A 10 1.802 -5.598 7.395 1.00 97.35 C +ATOM 49 C GLY A 10 2.057 -5.441 5.907 1.00 97.54 C +ATOM 50 O GLY A 10 2.940 -4.687 5.492 1.00 97.34 O +ATOM 51 N PRO A 11 1.285 -6.161 5.078 1.00 97.14 N +ATOM 52 CA PRO A 11 1.468 -6.103 3.623 1.00 97.08 C +ATOM 53 C PRO A 11 1.022 -4.764 3.055 1.00 97.23 C +ATOM 54 O PRO A 11 0.255 -4.035 3.674 1.00 96.42 O +ATOM 55 CB PRO A 11 0.593 -7.252 3.119 1.00 95.75 C +ATOM 56 CG PRO A 11 -0.491 -7.326 4.137 1.00 94.40 C +ATOM 57 CD PRO A 11 0.216 -7.096 5.455 1.00 96.27 C +HETATM 58 N HYP A 12 1.482 -4.484 1.864 1.00 97.47 N +HETATM 59 CA HYP A 12 1.102 -3.275 1.170 1.00 97.15 C +HETATM 60 C HYP A 12 -0.376 -3.265 0.885 1.00 97.48 C +HETATM 61 O HYP A 12 -0.989 -4.345 0.662 1.00 96.57 O +HETATM 62 CB HYP A 12 1.892 -3.394 -0.168 1.00 95.95 C +HETATM 63 CG HYP A 12 3.057 -4.252 0.184 1.00 94.77 C +HETATM 64 CD HYP A 12 2.513 -5.223 1.134 1.00 96.21 C +HETATM 65 OD1 HYP A 12 4.080 -3.504 0.797 1.00 93.55 O +ATOM 66 N GLY A 13 -0.980 -2.095 0.907 1.00 97.50 N +ATOM 67 CA GLY A 13 -2.388 -1.986 0.618 1.00 97.48 C +ATOM 68 C GLY A 13 -2.634 -2.219 -0.865 1.00 97.64 C +ATOM 69 O GLY A 13 -1.699 -2.404 -1.647 1.00 97.39 O +ATOM 70 N PRO A 14 -3.915 -2.212 -1.270 1.00 96.92 N +ATOM 71 CA PRO A 14 -4.250 -2.442 -2.678 1.00 96.97 C +ATOM 72 C PRO A 14 -3.830 -1.272 -3.560 1.00 97.00 C +ATOM 73 O PRO A 14 -3.649 -0.154 -3.086 1.00 96.16 O +ATOM 74 CB PRO A 14 -5.771 -2.604 -2.641 1.00 95.77 C +ATOM 75 CG PRO A 14 -6.177 -1.765 -1.481 1.00 94.46 C +ATOM 76 CD PRO A 14 -5.102 -2.015 -0.447 1.00 96.34 C +HETATM 77 N HYP A 15 -3.689 -1.555 -4.835 1.00 97.16 N +HETATM 78 CA HYP A 15 -3.375 -0.497 -5.789 1.00 96.45 C +HETATM 79 C HYP A 15 -4.478 0.553 -5.819 1.00 97.06 C +HETATM 80 O HYP A 15 -5.662 0.225 -5.644 1.00 96.39 O +HETATM 81 CB HYP A 15 -3.384 -1.279 -7.142 1.00 95.14 C +HETATM 82 CG HYP A 15 -3.025 -2.678 -6.746 1.00 94.66 C +HETATM 83 CD HYP A 15 -3.712 -2.878 -5.442 1.00 95.67 C +HETATM 84 OD1 HYP A 15 -1.637 -2.844 -6.560 1.00 92.60 O +ATOM 85 N GLY A 16 -4.075 1.807 -5.995 1.00 96.80 N +ATOM 86 CA GLY A 16 -5.031 2.883 -6.052 1.00 96.87 C +ATOM 87 C GLY A 16 -5.851 2.789 -7.325 1.00 97.11 C +ATOM 88 O GLY A 16 -5.567 1.975 -8.208 1.00 96.90 O +ATOM 89 N PRO A 17 -6.883 3.639 -7.443 1.00 96.30 N +ATOM 90 CA PRO A 17 -7.736 3.619 -8.626 1.00 96.38 C +ATOM 91 C PRO A 17 -6.998 4.149 -9.851 1.00 96.43 C +ATOM 92 O PRO A 17 -6.043 4.906 -9.731 1.00 95.37 O +ATOM 93 CB PRO A 17 -8.907 4.515 -8.227 1.00 94.90 C +ATOM 94 CG PRO A 17 -8.278 5.470 -7.274 1.00 93.51 C +ATOM 95 CD PRO A 17 -7.316 4.620 -6.464 1.00 95.62 C +HETATM 96 N HYP A 18 -7.452 3.732 -11.020 1.00 96.45 N +HETATM 97 CA HYP A 18 -6.890 4.265 -12.249 1.00 96.09 C +HETATM 98 C HYP A 18 -7.066 5.766 -12.328 1.00 96.56 C +HETATM 99 O HYP A 18 -8.037 6.309 -11.816 1.00 95.45 O +HETATM 100 CB HYP A 18 -7.774 3.588 -13.331 1.00 94.27 C +HETATM 101 CG HYP A 18 -8.278 2.311 -12.702 1.00 93.02 C +HETATM 102 CD HYP A 18 -8.485 2.704 -11.260 1.00 94.72 C +HETATM 103 OD1 HYP A 18 -7.320 1.261 -12.750 1.00 90.45 O +ATOM 104 N GLY A 19 -6.094 6.439 -12.917 1.00 95.50 N +ATOM 105 CA GLY A 19 -6.158 7.873 -13.061 1.00 95.55 C +ATOM 106 C GLY A 19 -7.271 8.248 -14.022 1.00 96.10 C +ATOM 107 O GLY A 19 -7.847 7.393 -14.697 1.00 95.89 O +ATOM 108 N PRO A 20 -7.581 9.543 -14.114 1.00 95.82 N +ATOM 109 CA PRO A 20 -8.649 9.994 -15.008 1.00 95.75 C +ATOM 110 C PRO A 20 -8.247 9.834 -16.467 1.00 95.90 C +ATOM 111 O PRO A 20 -7.064 9.817 -16.799 1.00 94.62 O +ATOM 112 CB PRO A 20 -8.834 11.459 -14.622 1.00 94.19 C +ATOM 113 CG PRO A 20 -7.474 11.848 -14.133 1.00 93.10 C +ATOM 114 CD PRO A 20 -6.986 10.638 -13.376 1.00 95.03 C +HETATM 115 N HYP A 21 -9.246 9.698 -17.352 1.00 94.96 N +HETATM 116 CA HYP A 21 -8.980 9.632 -18.759 1.00 94.55 C +HETATM 117 C HYP A 21 -8.298 10.862 -19.248 1.00 94.06 C +HETATM 118 O HYP A 21 -8.505 11.945 -18.717 1.00 92.09 O +HETATM 119 CB HYP A 21 -10.424 9.577 -19.364 1.00 92.94 C +HETATM 120 CG HYP A 21 -11.310 9.023 -18.284 1.00 90.37 C +HETATM 121 CD HYP A 21 -10.686 9.570 -17.031 1.00 92.84 C +HETATM 122 OD1 HYP A 21 -11.251 7.587 -18.248 1.00 89.56 O +ATOM 123 N GLY A 22 -7.400 10.723 -20.244 1.00 93.41 N +ATOM 124 CA GLY A 22 -6.690 11.845 -20.796 1.00 92.98 C +ATOM 125 C GLY A 22 -7.640 12.785 -21.520 1.00 92.91 C +ATOM 126 O GLY A 22 -8.807 12.451 -21.743 1.00 91.70 O +ATOM 127 N PRO A 23 -7.151 13.958 -21.930 1.00 93.26 N +ATOM 128 CA PRO A 23 -8.004 14.910 -22.634 1.00 93.19 C +ATOM 129 C PRO A 23 -8.356 14.397 -24.030 1.00 92.84 C +ATOM 130 O PRO A 23 -7.659 13.546 -24.587 1.00 89.61 O +ATOM 131 CB PRO A 23 -7.149 16.174 -22.691 1.00 90.30 C +ATOM 132 CG PRO A 23 -5.765 15.627 -22.734 1.00 88.14 C +ATOM 133 CD PRO A 23 -5.799 14.461 -21.767 1.00 90.44 C +ATOM 134 N PRO A 24 -9.456 14.907 -24.610 1.00 92.85 N +ATOM 135 CA PRO A 24 -9.828 14.461 -25.954 1.00 91.80 C +ATOM 136 C PRO A 24 -8.837 15.000 -26.995 1.00 89.36 C +ATOM 137 O PRO A 24 -8.051 15.900 -26.683 1.00 84.80 O +ATOM 138 CB PRO A 24 -11.235 15.037 -26.139 1.00 85.78 C +ATOM 139 CG PRO A 24 -11.215 16.248 -25.280 1.00 84.69 C +ATOM 140 CD PRO A 24 -10.440 15.827 -24.057 1.00 87.06 C +ATOM 141 OXT PRO A 24 -8.819 14.504 -28.131 1.00 77.85 O +TER 142 PRO A 24 +END diff --git a/protein_pdb_436.txt b/protein_pdb_436.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d79adec4703f64fe9790f48edb7184ffa18e32d --- /dev/null +++ b/protein_pdb_436.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 8.061 -6.274 -10.760 1.00 79.01 N +ATOM 2 CA GLY A 1 7.305 -5.082 -11.112 1.00 81.24 C +ATOM 3 C GLY A 1 7.437 -4.024 -10.052 1.00 83.23 C +ATOM 4 O GLY A 1 8.109 -4.230 -9.045 1.00 80.59 O +ATOM 5 N PRO A 2 6.793 -2.873 -10.246 1.00 82.41 N +ATOM 6 CA PRO A 2 6.887 -1.784 -9.287 1.00 84.59 C +ATOM 7 C PRO A 2 6.163 -2.096 -7.993 1.00 84.73 C +ATOM 8 O PRO A 2 5.330 -2.994 -7.926 1.00 82.01 O +ATOM 9 CB PRO A 2 6.235 -0.618 -10.022 1.00 80.71 C +ATOM 10 CG PRO A 2 5.264 -1.274 -10.930 1.00 76.18 C +ATOM 11 CD PRO A 2 5.956 -2.529 -11.394 1.00 77.28 C +HETATM 12 N HYP A 3 6.522 -1.384 -7.007 1.00 82.87 N +HETATM 13 CA HYP A 3 5.822 -1.498 -5.710 1.00 83.75 C +HETATM 14 C HYP A 3 4.357 -1.230 -5.850 1.00 86.95 C +HETATM 15 O HYP A 3 3.936 -0.439 -6.729 1.00 87.19 O +HETATM 16 CB HYP A 3 6.525 -0.388 -4.878 1.00 84.04 C +HETATM 17 CG HYP A 3 7.916 -0.284 -5.482 1.00 76.73 C +HETATM 18 CD HYP A 3 7.628 -0.456 -6.992 1.00 82.97 C +HETATM 19 OD1 HYP A 3 8.683 -1.371 -5.051 1.00 82.73 O +ATOM 20 N GLY A 4 3.581 -1.886 -5.036 1.00 88.20 N +ATOM 21 CA GLY A 4 2.162 -1.697 -5.061 1.00 87.05 C +ATOM 22 C GLY A 4 1.796 -0.300 -4.586 1.00 88.14 C +ATOM 23 O GLY A 4 2.641 0.442 -4.091 1.00 88.05 O +ATOM 24 N PRO A 5 0.541 0.063 -4.730 1.00 88.90 N +ATOM 25 CA PRO A 5 0.096 1.383 -4.310 1.00 88.88 C +ATOM 26 C PRO A 5 0.054 1.502 -2.794 1.00 88.91 C +ATOM 27 O PRO A 5 0.063 0.506 -2.081 1.00 86.92 O +ATOM 28 CB PRO A 5 -1.290 1.499 -4.922 1.00 86.65 C +ATOM 29 CG PRO A 5 -1.769 0.091 -4.971 1.00 84.03 C +ATOM 30 CD PRO A 5 -0.548 -0.716 -5.318 1.00 86.04 C +HETATM 31 N HYP A 6 0.016 2.734 -2.341 1.00 89.19 N +HETATM 32 CA HYP A 6 -0.121 2.972 -0.912 1.00 92.65 C +HETATM 33 C HYP A 6 -1.382 2.372 -0.361 1.00 89.96 C +HETATM 34 O HYP A 6 -2.415 2.298 -1.077 1.00 87.73 O +HETATM 35 CB HYP A 6 -0.175 4.521 -0.865 1.00 85.63 C +HETATM 36 CG HYP A 6 0.606 4.965 -2.089 1.00 84.18 C +HETATM 37 CD HYP A 6 0.176 3.944 -3.119 1.00 87.55 C +HETATM 38 OD1 HYP A 6 1.989 4.816 -1.834 1.00 83.66 O +ATOM 39 N GLY A 7 -1.308 1.906 0.847 1.00 90.71 N +ATOM 40 CA GLY A 7 -2.450 1.328 1.492 1.00 89.46 C +ATOM 41 C GLY A 7 -3.519 2.376 1.730 1.00 90.22 C +ATOM 42 O GLY A 7 -3.312 3.570 1.485 1.00 89.64 O +ATOM 43 N PRO A 8 -4.666 1.942 2.206 1.00 90.62 N +ATOM 44 CA PRO A 8 -5.756 2.875 2.452 1.00 89.96 C +ATOM 45 C PRO A 8 -5.478 3.775 3.643 1.00 90.31 C +ATOM 46 O PRO A 8 -4.736 3.424 4.545 1.00 87.32 O +ATOM 47 CB PRO A 8 -6.953 1.964 2.710 1.00 87.08 C +ATOM 48 CG PRO A 8 -6.341 0.741 3.287 1.00 85.91 C +ATOM 49 CD PRO A 8 -5.041 0.566 2.536 1.00 88.29 C +HETATM 50 N HYP A 9 -6.098 4.931 3.621 1.00 85.57 N +HETATM 51 CA HYP A 9 -5.982 5.846 4.723 1.00 88.39 C +HETATM 52 C HYP A 9 -6.684 5.299 5.926 1.00 86.95 C +HETATM 53 O HYP A 9 -7.686 4.583 5.813 1.00 84.24 O +HETATM 54 CB HYP A 9 -6.789 7.077 4.212 1.00 82.64 C +HETATM 55 CG HYP A 9 -6.822 6.958 2.728 1.00 80.70 C +HETATM 56 CD HYP A 9 -6.847 5.506 2.478 1.00 84.70 C +HETATM 57 OD1 HYP A 9 -5.630 7.482 2.196 1.00 82.49 O +ATOM 58 N GLY A 10 -6.201 5.586 7.096 1.00 87.53 N +ATOM 59 CA GLY A 10 -6.925 5.287 8.308 1.00 83.87 C +ATOM 60 C GLY A 10 -8.023 6.324 8.473 1.00 83.73 C +ATOM 61 O GLY A 10 -8.191 7.213 7.641 1.00 82.36 O +ATOM 62 N ASN A 11 -8.759 6.217 9.549 1.00 88.39 N +ATOM 63 CA ASN A 11 -9.816 7.196 9.777 1.00 91.86 C +ATOM 64 C ASN A 11 -9.249 8.609 9.859 1.00 92.13 C +ATOM 65 O ASN A 11 -9.809 9.546 9.291 1.00 90.03 O +ATOM 66 CB ASN A 11 -10.581 6.862 11.057 1.00 89.04 C +ATOM 67 CG ASN A 11 -11.452 5.637 10.900 1.00 83.37 C +ATOM 68 OD1 ASN A 11 -12.132 5.469 9.882 1.00 79.91 O +ATOM 69 ND2 ASN A 11 -11.450 4.776 11.891 1.00 76.33 N +ATOM 70 N ASP A 12 -8.146 8.739 10.574 1.00 88.98 N +ATOM 71 CA ASP A 12 -7.471 10.025 10.719 1.00 89.91 C +ATOM 72 C ASP A 12 -5.972 9.849 10.573 1.00 90.23 C +ATOM 73 O ASP A 12 -5.191 10.529 11.234 1.00 85.23 O +ATOM 74 CB ASP A 12 -7.792 10.636 12.091 1.00 87.95 C +ATOM 75 CG ASP A 12 -9.244 11.038 12.201 1.00 82.31 C +ATOM 76 OD1 ASP A 12 -10.030 10.264 12.766 1.00 81.27 O +ATOM 77 OD2 ASP A 12 -9.593 12.147 11.730 1.00 79.19 O +ATOM 78 N GLY A 13 -5.559 8.937 9.718 1.00 90.86 N +ATOM 79 CA GLY A 13 -4.153 8.623 9.597 1.00 88.81 C +ATOM 80 C GLY A 13 -3.676 8.583 8.166 1.00 89.54 C +ATOM 81 O GLY A 13 -4.465 8.674 7.225 1.00 88.92 O +ATOM 82 N PRO A 14 -2.376 8.462 8.000 1.00 89.93 N +ATOM 83 CA PRO A 14 -1.788 8.429 6.673 1.00 89.47 C +ATOM 84 C PRO A 14 -2.091 7.125 5.960 1.00 90.01 C +ATOM 85 O PRO A 14 -2.501 6.142 6.567 1.00 87.71 O +ATOM 86 CB PRO A 14 -0.294 8.580 6.944 1.00 86.86 C +ATOM 87 CG PRO A 14 -0.119 7.940 8.273 1.00 85.92 C +ATOM 88 CD PRO A 14 -1.351 8.324 9.046 1.00 86.75 C +HETATM 89 N HYP A 15 -1.856 7.170 4.700 1.00 90.47 N +HETATM 90 CA HYP A 15 -1.982 5.942 3.911 1.00 90.86 C +HETATM 91 C HYP A 15 -0.983 4.920 4.346 1.00 92.68 C +HETATM 92 O HYP A 15 0.075 5.274 4.909 1.00 90.91 O +HETATM 93 CB HYP A 15 -1.650 6.477 2.501 1.00 86.72 C +HETATM 94 CG HYP A 15 -2.039 7.943 2.551 1.00 84.93 C +HETATM 95 CD HYP A 15 -1.602 8.353 3.931 1.00 88.99 C +HETATM 96 OD1 HYP A 15 -3.425 8.086 2.431 1.00 87.36 O +ATOM 97 N GLY A 16 -1.329 3.684 4.137 1.00 92.73 N +ATOM 98 CA GLY A 16 -0.426 2.626 4.463 1.00 92.25 C +ATOM 99 C GLY A 16 0.769 2.629 3.539 1.00 93.04 C +ATOM 100 O GLY A 16 0.827 3.399 2.579 1.00 92.31 O +ATOM 101 N PRO A 17 1.738 1.770 3.828 1.00 90.31 N +ATOM 102 CA PRO A 17 2.928 1.710 3.001 1.00 89.85 C +ATOM 103 C PRO A 17 2.641 1.091 1.647 1.00 90.63 C +ATOM 104 O PRO A 17 1.636 0.412 1.460 1.00 88.59 O +ATOM 105 CB PRO A 17 3.883 0.855 3.823 1.00 87.58 C +ATOM 106 CG PRO A 17 2.981 -0.027 4.598 1.00 86.48 C +ATOM 107 CD PRO A 17 1.797 0.834 4.945 1.00 87.77 C +HETATM 108 N HYP A 18 3.525 1.343 0.692 1.00 87.89 N +HETATM 109 CA HYP A 18 3.421 0.709 -0.571 1.00 90.96 C +HETATM 110 C HYP A 18 3.464 -0.784 -0.478 1.00 90.77 C +HETATM 111 O HYP A 18 4.095 -1.337 0.444 1.00 90.80 O +HETATM 112 CB HYP A 18 4.657 1.246 -1.323 1.00 88.48 C +HETATM 113 CG HYP A 18 4.915 2.595 -0.692 1.00 83.82 C +HETATM 114 CD HYP A 18 4.593 2.311 0.764 1.00 88.78 C +HETATM 115 OD1 HYP A 18 4.003 3.543 -1.208 1.00 85.96 O +ATOM 116 N GLY A 19 2.787 -1.434 -1.361 1.00 89.14 N +ATOM 117 CA GLY A 19 2.786 -2.866 -1.407 1.00 88.47 C +ATOM 118 C GLY A 19 4.135 -3.383 -1.861 1.00 89.14 C +ATOM 119 O GLY A 19 5.007 -2.622 -2.261 1.00 88.70 O +ATOM 120 N PRO A 20 4.316 -4.695 -1.803 1.00 84.10 N +ATOM 121 CA PRO A 20 5.574 -5.279 -2.213 1.00 83.77 C +ATOM 122 C PRO A 20 5.762 -5.197 -3.716 1.00 84.04 C +ATOM 123 O PRO A 20 4.812 -5.002 -4.464 1.00 83.75 O +ATOM 124 CB PRO A 20 5.456 -6.728 -1.743 1.00 81.16 C +ATOM 125 CG PRO A 20 3.992 -6.980 -1.772 1.00 77.74 C +ATOM 126 CD PRO A 20 3.363 -5.686 -1.337 1.00 78.75 C +HETATM 127 N HYP A 21 7.000 -5.332 -4.140 1.00 84.76 N +HETATM 128 CA HYP A 21 7.273 -5.364 -5.538 1.00 87.79 C +HETATM 129 C HYP A 21 6.542 -6.450 -6.285 1.00 85.65 C +HETATM 130 O HYP A 21 6.323 -7.534 -5.725 1.00 88.98 O +HETATM 131 CB HYP A 21 8.785 -5.618 -5.603 1.00 82.98 C +HETATM 132 CG HYP A 21 9.314 -5.083 -4.292 1.00 78.80 C +HETATM 133 CD HYP A 21 8.219 -5.423 -3.317 1.00 85.21 C +HETATM 134 OD1 HYP A 21 9.390 -3.645 -4.355 1.00 81.22 O +ATOM 135 N GLY A 22 6.062 -6.147 -7.458 1.00 82.94 N +ATOM 136 CA GLY A 22 5.386 -7.109 -8.265 1.00 79.65 C +ATOM 137 C GLY A 22 6.370 -8.135 -8.791 1.00 79.44 C +ATOM 138 O GLY A 22 7.569 -8.055 -8.535 1.00 79.43 O +ATOM 139 N PRO A 23 5.886 -9.106 -9.545 1.00 87.10 N +ATOM 140 CA PRO A 23 6.771 -10.122 -10.093 1.00 87.35 C +ATOM 141 C PRO A 23 7.735 -9.519 -11.094 1.00 86.70 C +ATOM 142 O PRO A 23 7.483 -8.469 -11.668 1.00 83.06 O +ATOM 143 CB PRO A 23 5.816 -11.115 -10.743 1.00 83.24 C +ATOM 144 CG PRO A 23 4.625 -10.295 -11.079 1.00 80.08 C +ATOM 145 CD PRO A 23 4.500 -9.312 -9.951 1.00 82.70 C +HETATM 146 N HYP A 24 8.795 -10.098 -11.334 1.00 89.17 N +HETATM 147 CA HYP A 24 9.796 -9.500 -12.239 1.00 83.53 C +HETATM 148 C HYP A 24 9.292 -8.540 -13.177 1.00 83.75 C +HETATM 149 O HYP A 24 10.069 -7.720 -13.671 1.00 79.90 O +HETATM 150 CB HYP A 24 10.613 -10.648 -12.690 1.00 82.33 C +HETATM 151 CG HYP A 24 10.411 -11.766 -11.701 1.00 80.46 C +HETATM 152 CD HYP A 24 9.038 -11.496 -11.082 1.00 86.76 C +HETATM 153 OD1 HYP A 24 11.358 -11.673 -10.637 1.00 80.49 O +HETATM 154 OXT HYP A 24 8.127 -8.650 -13.599 1.00 76.41 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_437.txt b/protein_pdb_437.txt new file mode 100644 index 0000000000000000000000000000000000000000..b10aa5e111e7939f38840faae2f53cba66ab2f0e --- /dev/null +++ b/protein_pdb_437.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 9.037 -7.003 -9.870 1.00 87.90 N +ATOM 2 CA GLY A 1 8.398 -5.802 -10.380 1.00 89.63 C +ATOM 3 C GLY A 1 8.455 -4.689 -9.370 1.00 91.52 C +ATOM 4 O GLY A 1 8.973 -4.867 -8.270 1.00 89.40 O +ATOM 5 N PRO A 2 7.908 -3.539 -9.715 1.00 91.02 N +ATOM 6 CA PRO A 2 7.934 -2.401 -8.813 1.00 91.68 C +ATOM 7 C PRO A 2 7.043 -2.602 -7.600 1.00 92.04 C +ATOM 8 O PRO A 2 6.164 -3.459 -7.596 1.00 90.79 O +ATOM 9 CB PRO A 2 7.434 -1.244 -9.678 1.00 89.15 C +ATOM 10 CG PRO A 2 6.572 -1.906 -10.691 1.00 85.98 C +ATOM 11 CD PRO A 2 7.230 -3.218 -10.971 1.00 87.68 C +HETATM 12 N HYP A 3 7.300 -1.837 -6.605 1.00 90.56 N +HETATM 13 CA HYP A 3 6.451 -1.851 -5.422 1.00 90.15 C +HETATM 14 C HYP A 3 5.024 -1.525 -5.750 1.00 91.88 C +HETATM 15 O HYP A 3 4.760 -0.767 -6.708 1.00 93.33 O +HETATM 16 CB HYP A 3 7.093 -0.752 -4.548 1.00 90.36 C +HETATM 17 CG HYP A 3 8.546 -0.756 -4.976 1.00 87.70 C +HETATM 18 CD HYP A 3 8.430 -0.959 -6.499 1.00 89.65 C +HETATM 19 OD1 HYP A 3 9.195 -1.859 -4.401 1.00 89.78 O +ATOM 20 N GLY A 4 4.132 -2.121 -5.019 1.00 94.92 N +ATOM 21 CA GLY A 4 2.735 -1.847 -5.211 1.00 94.39 C +ATOM 22 C GLY A 4 2.399 -0.424 -4.820 1.00 94.71 C +ATOM 23 O GLY A 4 3.223 0.299 -4.262 1.00 94.94 O +ATOM 24 N PRO A 5 1.172 -0.009 -5.109 1.00 94.62 N +ATOM 25 CA PRO A 5 0.754 1.339 -4.780 1.00 93.98 C +ATOM 26 C PRO A 5 0.564 1.525 -3.285 1.00 94.03 C +ATOM 27 O PRO A 5 0.460 0.558 -2.539 1.00 93.45 O +ATOM 28 CB PRO A 5 -0.565 1.492 -5.532 1.00 92.93 C +ATOM 29 CG PRO A 5 -1.096 0.107 -5.598 1.00 91.36 C +ATOM 30 CD PRO A 5 0.106 -0.771 -5.762 1.00 93.05 C +HETATM 31 N HYP A 6 0.531 2.796 -2.873 1.00 92.38 N +HETATM 32 CA HYP A 6 0.266 3.076 -1.494 1.00 94.55 C +HETATM 33 C HYP A 6 -1.061 2.532 -1.037 1.00 93.58 C +HETATM 34 O HYP A 6 -2.012 2.471 -1.859 1.00 94.00 O +HETATM 35 CB HYP A 6 0.278 4.624 -1.460 1.00 91.07 C +HETATM 36 CG HYP A 6 1.184 5.001 -2.606 1.00 91.10 C +HETATM 37 CD HYP A 6 0.788 3.985 -3.667 1.00 92.54 C +HETATM 38 OD1 HYP A 6 2.524 4.801 -2.228 1.00 90.49 O +ATOM 39 N GLY A 7 -1.121 2.110 0.178 1.00 93.31 N +ATOM 40 CA GLY A 7 -2.354 1.634 0.736 1.00 92.96 C +ATOM 41 C GLY A 7 -3.367 2.756 0.860 1.00 93.63 C +ATOM 42 O GLY A 7 -3.069 3.921 0.597 1.00 94.02 O +ATOM 43 N PRO A 8 -4.572 2.406 1.263 1.00 93.81 N +ATOM 44 CA PRO A 8 -5.610 3.414 1.404 1.00 93.15 C +ATOM 45 C PRO A 8 -5.350 4.316 2.592 1.00 93.51 C +ATOM 46 O PRO A 8 -4.607 3.980 3.510 1.00 93.15 O +ATOM 47 CB PRO A 8 -6.876 2.585 1.606 1.00 91.71 C +ATOM 48 CG PRO A 8 -6.385 1.336 2.234 1.00 89.94 C +ATOM 49 CD PRO A 8 -5.043 1.075 1.615 1.00 90.88 C +HETATM 50 N HYP A 9 -5.971 5.474 2.574 1.00 92.35 N +HETATM 51 CA HYP A 9 -5.877 6.374 3.663 1.00 94.17 C +HETATM 52 C HYP A 9 -6.453 5.789 4.920 1.00 93.57 C +HETATM 53 O HYP A 9 -7.421 5.008 4.857 1.00 93.91 O +HETATM 54 CB HYP A 9 -6.676 7.616 3.195 1.00 91.49 C +HETATM 55 CG HYP A 9 -6.678 7.540 1.696 1.00 90.37 C +HETATM 56 CD HYP A 9 -6.715 6.073 1.429 1.00 92.45 C +HETATM 57 OD1 HYP A 9 -5.455 8.063 1.207 1.00 90.46 O +ATOM 58 N GLY A 10 -5.924 6.089 6.052 1.00 94.71 N +ATOM 59 CA GLY A 10 -6.580 5.772 7.296 1.00 93.67 C +ATOM 60 C GLY A 10 -7.841 6.605 7.414 1.00 94.07 C +ATOM 61 O GLY A 10 -8.170 7.390 6.530 1.00 93.54 O +ATOM 62 N ARG A 11 -8.539 6.441 8.522 1.00 93.15 N +ATOM 63 CA ARG A 11 -9.762 7.213 8.705 1.00 93.54 C +ATOM 64 C ARG A 11 -9.502 8.706 8.521 1.00 93.43 C +ATOM 65 O ARG A 11 -10.275 9.394 7.861 1.00 91.30 O +ATOM 66 CB ARG A 11 -10.356 6.957 10.086 1.00 91.59 C +ATOM 67 CG ARG A 11 -10.858 5.539 10.252 1.00 86.79 C +ATOM 68 CD ARG A 11 -11.470 5.326 11.618 1.00 82.25 C +ATOM 69 NE ARG A 11 -11.826 3.936 11.834 1.00 78.66 N +ATOM 70 CZ ARG A 11 -12.930 3.350 11.366 1.00 74.31 C +ATOM 71 NH1 ARG A 11 -13.810 4.053 10.668 1.00 72.40 N +ATOM 72 NH2 ARG A 11 -13.157 2.072 11.597 1.00 70.41 N +ATOM 73 N ASN A 12 -8.427 9.173 9.101 1.00 96.56 N +ATOM 74 CA ASN A 12 -8.011 10.569 8.979 1.00 96.83 C +ATOM 75 C ASN A 12 -6.496 10.668 8.861 1.00 97.06 C +ATOM 76 O ASN A 12 -5.909 11.669 9.269 1.00 95.04 O +ATOM 77 CB ASN A 12 -8.497 11.372 10.188 1.00 95.65 C +ATOM 78 CG ASN A 12 -10.008 11.387 10.297 1.00 91.82 C +ATOM 79 OD1 ASN A 12 -10.580 10.678 11.111 1.00 89.90 O +ATOM 80 ND2 ASN A 12 -10.644 12.188 9.468 1.00 84.97 N +ATOM 81 N GLY A 13 -5.881 9.648 8.328 1.00 95.91 N +ATOM 82 CA GLY A 13 -4.437 9.564 8.331 1.00 95.62 C +ATOM 83 C GLY A 13 -3.844 9.359 6.961 1.00 96.03 C +ATOM 84 O GLY A 13 -4.545 9.373 5.953 1.00 95.59 O +ATOM 85 N PRO A 14 -2.539 9.183 6.921 1.00 95.84 N +ATOM 86 CA PRO A 14 -1.833 9.034 5.658 1.00 95.58 C +ATOM 87 C PRO A 14 -2.125 7.696 4.998 1.00 95.70 C +ATOM 88 O PRO A 14 -2.637 6.778 5.618 1.00 95.03 O +ATOM 89 CB PRO A 14 -0.366 9.146 6.058 1.00 94.13 C +ATOM 90 CG PRO A 14 -0.339 8.627 7.453 1.00 92.75 C +ATOM 91 CD PRO A 14 -1.631 9.088 8.062 1.00 94.40 C +HETATM 92 N HYP A 15 -1.765 7.648 3.744 1.00 93.78 N +HETATM 93 CA HYP A 15 -1.845 6.400 3.012 1.00 94.57 C +HETATM 94 C HYP A 15 -0.994 5.337 3.626 1.00 94.68 C +HETATM 95 O HYP A 15 0.027 5.675 4.296 1.00 94.23 O +HETATM 96 CB HYP A 15 -1.354 6.833 1.615 1.00 90.84 C +HETATM 97 CG HYP A 15 -1.681 8.307 1.521 1.00 89.92 C +HETATM 98 CD HYP A 15 -1.391 8.794 2.926 1.00 92.42 C +HETATM 99 OD1 HYP A 15 -3.033 8.472 1.211 1.00 90.69 O +ATOM 100 N GLY A 16 -1.385 4.129 3.444 1.00 95.51 N +ATOM 101 CA GLY A 16 -0.578 3.032 3.898 1.00 95.47 C +ATOM 102 C GLY A 16 0.702 2.937 3.097 1.00 95.90 C +ATOM 103 O GLY A 16 0.901 3.657 2.118 1.00 95.72 O +ATOM 104 N PRO A 17 1.580 2.033 3.519 1.00 95.11 N +ATOM 105 CA PRO A 17 2.847 1.865 2.826 1.00 94.68 C +ATOM 106 C PRO A 17 2.658 1.215 1.466 1.00 94.91 C +ATOM 107 O PRO A 17 1.631 0.602 1.191 1.00 94.25 O +ATOM 108 CB PRO A 17 3.649 0.974 3.767 1.00 93.57 C +ATOM 109 CG PRO A 17 2.611 0.194 4.486 1.00 91.95 C +ATOM 110 CD PRO A 17 1.459 1.127 4.657 1.00 93.58 C +HETATM 111 N HYP A 18 3.670 1.362 0.606 1.00 92.17 N +HETATM 112 CA HYP A 18 3.656 0.690 -0.646 1.00 92.65 C +HETATM 113 C HYP A 18 3.561 -0.797 -0.512 1.00 92.98 C +HETATM 114 O HYP A 18 4.019 -1.361 0.503 1.00 93.12 O +HETATM 115 CB HYP A 18 5.017 1.097 -1.267 1.00 89.38 C +HETATM 116 CG HYP A 18 5.308 2.432 -0.639 1.00 89.65 C +HETATM 117 CD HYP A 18 4.805 2.240 0.777 1.00 92.07 C +HETATM 118 OD1 HYP A 18 4.564 3.437 -1.287 1.00 90.41 O +ATOM 119 N GLY A 19 2.932 -1.417 -1.449 1.00 91.52 N +ATOM 120 CA GLY A 19 2.851 -2.846 -1.469 1.00 91.45 C +ATOM 121 C GLY A 19 4.212 -3.467 -1.711 1.00 92.02 C +ATOM 122 O GLY A 19 5.180 -2.778 -2.021 1.00 92.73 O +ATOM 123 N PRO A 20 4.287 -4.779 -1.582 1.00 91.60 N +ATOM 124 CA PRO A 20 5.547 -5.467 -1.792 1.00 91.19 C +ATOM 125 C PRO A 20 5.943 -5.459 -3.256 1.00 91.72 C +ATOM 126 O PRO A 20 5.127 -5.214 -4.138 1.00 91.93 O +ATOM 127 CB PRO A 20 5.261 -6.880 -1.292 1.00 89.41 C +ATOM 128 CG PRO A 20 3.800 -7.040 -1.492 1.00 87.19 C +ATOM 129 CD PRO A 20 3.203 -5.685 -1.227 1.00 88.54 C +HETATM 130 N HYP A 21 7.218 -5.721 -3.494 1.00 89.55 N +HETATM 131 CA HYP A 21 7.687 -5.839 -4.842 1.00 90.38 C +HETATM 132 C HYP A 21 6.943 -6.861 -5.656 1.00 90.59 C +HETATM 133 O HYP A 21 6.517 -7.871 -5.076 1.00 92.83 O +HETATM 134 CB HYP A 21 9.170 -6.221 -4.691 1.00 89.08 C +HETATM 135 CG HYP A 21 9.543 -5.639 -3.352 1.00 86.22 C +HETATM 136 CD HYP A 21 8.310 -5.856 -2.520 1.00 90.72 C +HETATM 137 OD1 HYP A 21 9.761 -4.235 -3.463 1.00 87.60 O +ATOM 138 N GLY A 22 6.680 -6.584 -6.893 1.00 90.12 N +ATOM 139 CA GLY A 22 6.031 -7.527 -7.754 1.00 87.85 C +ATOM 140 C GLY A 22 6.941 -8.706 -8.055 1.00 88.00 C +ATOM 141 O GLY A 22 8.088 -8.754 -7.606 1.00 88.83 O +ATOM 142 N PRO A 23 6.448 -9.672 -8.825 1.00 91.14 N +ATOM 143 CA PRO A 23 7.257 -10.835 -9.158 1.00 90.05 C +ATOM 144 C PRO A 23 8.438 -10.458 -10.020 1.00 89.14 C +ATOM 145 O PRO A 23 8.435 -9.435 -10.696 1.00 85.79 O +ATOM 146 CB PRO A 23 6.284 -11.750 -9.894 1.00 87.05 C +ATOM 147 CG PRO A 23 5.278 -10.818 -10.465 1.00 85.89 C +ATOM 148 CD PRO A 23 5.138 -9.719 -9.455 1.00 88.82 C +HETATM 149 N HYP A 24 9.422 -11.230 -10.068 1.00 92.15 N +HETATM 150 CA HYP A 24 10.574 -10.879 -10.877 1.00 86.64 C +HETATM 151 C HYP A 24 10.269 -10.306 -12.202 1.00 90.18 C +HETATM 152 O HYP A 24 11.150 -10.069 -13.014 1.00 85.65 O +HETATM 153 CB HYP A 24 11.392 -12.168 -10.933 1.00 88.73 C +HETATM 154 CG HYP A 24 10.948 -12.986 -9.756 1.00 87.24 C +HETATM 155 CD HYP A 24 9.492 -12.600 -9.549 1.00 90.48 C +HETATM 156 OD1 HYP A 24 11.661 -12.597 -8.586 1.00 86.81 O +HETATM 157 OXT HYP A 24 9.105 -10.088 -12.470 1.00 84.67 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_438.txt b/protein_pdb_438.txt new file mode 100644 index 0000000000000000000000000000000000000000..9acba2e8198300debde268a2b435700d473ab200 --- /dev/null +++ b/protein_pdb_438.txt @@ -0,0 +1,208 @@ +ATOM 1 N GLY A 1 36.655 -20.110 -24.891 1.00 93.38 N +ATOM 2 CA GLY A 1 35.344 -20.716 -24.642 1.00 94.46 C +ATOM 3 C GLY A 1 34.229 -19.698 -24.765 1.00 94.65 C +ATOM 4 O GLY A 1 34.488 -18.493 -24.764 1.00 91.72 O +ATOM 5 N ASP A 2 32.992 -20.163 -24.897 1.00 96.98 N +ATOM 6 CA ASP A 2 31.841 -19.273 -25.022 1.00 97.22 C +ATOM 7 C ASP A 2 31.496 -18.659 -23.664 1.00 97.24 C +ATOM 8 O ASP A 2 31.688 -19.271 -22.609 1.00 95.71 O +ATOM 9 CB ASP A 2 30.632 -20.032 -25.562 1.00 95.45 C +ATOM 10 CG ASP A 2 30.857 -20.553 -26.979 1.00 90.53 C +ATOM 11 OD1 ASP A 2 31.543 -19.868 -27.763 1.00 88.28 O +ATOM 12 OD2 ASP A 2 30.337 -21.641 -27.289 1.00 85.29 O +ATOM 13 N ARG A 3 30.953 -17.430 -23.681 1.00 94.81 N +ATOM 14 CA ARG A 3 30.524 -16.760 -22.466 1.00 95.52 C +ATOM 15 C ARG A 3 29.327 -17.494 -21.870 1.00 95.11 C +ATOM 16 O ARG A 3 28.466 -18.001 -22.594 1.00 92.48 O +ATOM 17 CB ARG A 3 30.161 -15.305 -22.761 1.00 91.53 C +ATOM 18 CG ARG A 3 29.810 -14.498 -21.508 1.00 85.72 C +ATOM 19 CD ARG A 3 29.371 -13.099 -21.864 1.00 82.02 C +ATOM 20 NE ARG A 3 29.036 -12.319 -20.679 1.00 76.70 N +ATOM 21 CZ ARG A 3 28.416 -11.148 -20.686 1.00 73.45 C +ATOM 22 NH1 ARG A 3 28.039 -10.609 -21.824 1.00 70.57 N +ATOM 23 NH2 ARG A 3 28.167 -10.534 -19.556 1.00 69.46 N +ATOM 24 N GLY A 4 29.267 -17.549 -20.558 1.00 97.39 N +ATOM 25 CA GLY A 4 28.154 -18.207 -19.883 1.00 97.27 C +ATOM 26 C GLY A 4 26.829 -17.493 -20.121 1.00 97.53 C +ATOM 27 O GLY A 4 26.801 -16.321 -20.493 1.00 97.30 O +ATOM 28 N GLU A 5 25.731 -18.211 -19.910 1.00 97.18 N +ATOM 29 CA GLU A 5 24.391 -17.658 -20.094 1.00 97.41 C +ATOM 30 C GLU A 5 24.094 -16.599 -19.041 1.00 97.69 C +ATOM 31 O GLU A 5 24.596 -16.654 -17.914 1.00 96.96 O +ATOM 32 CB GLU A 5 23.333 -18.762 -20.023 1.00 95.12 C +ATOM 33 CG GLU A 5 23.441 -19.791 -21.141 1.00 85.82 C +ATOM 34 CD GLU A 5 22.405 -20.907 -21.011 1.00 80.12 C +ATOM 35 OE1 GLU A 5 22.043 -21.237 -19.867 1.00 75.37 O +ATOM 36 OE2 GLU A 5 21.984 -21.441 -22.040 1.00 75.64 O +ATOM 37 N THR A 6 23.256 -15.632 -19.405 1.00 97.49 N +ATOM 38 CA THR A 6 22.819 -14.611 -18.456 1.00 97.42 C +ATOM 39 C THR A 6 21.912 -15.266 -17.419 1.00 97.60 C +ATOM 40 O THR A 6 21.036 -16.063 -17.763 1.00 97.02 O +ATOM 41 CB THR A 6 22.065 -13.481 -19.171 1.00 96.06 C +ATOM 42 OG1 THR A 6 22.920 -12.883 -20.143 1.00 92.20 O +ATOM 43 CG2 THR A 6 21.608 -12.415 -18.189 1.00 90.48 C +ATOM 44 N GLY A 7 22.114 -14.947 -16.152 1.00 97.96 N +ATOM 45 CA GLY A 7 21.302 -15.514 -15.094 1.00 97.71 C +ATOM 46 C GLY A 7 19.849 -15.047 -15.168 1.00 98.13 C +ATOM 47 O GLY A 7 19.542 -14.054 -15.838 1.00 98.21 O +ATOM 48 N PRO A 8 18.939 -15.729 -14.468 1.00 97.85 N +ATOM 49 CA PRO A 8 17.524 -15.344 -14.472 1.00 98.04 C +ATOM 50 C PRO A 8 17.301 -14.035 -13.719 1.00 98.29 C +ATOM 51 O PRO A 8 18.106 -13.636 -12.879 1.00 98.02 O +ATOM 52 CB PRO A 8 16.825 -16.518 -13.776 1.00 97.12 C +ATOM 53 CG PRO A 8 17.872 -17.041 -12.840 1.00 95.18 C +ATOM 54 CD PRO A 8 19.171 -16.903 -13.620 1.00 97.32 C +ATOM 55 N ALA A 9 16.184 -13.383 -14.032 1.00 97.66 N +ATOM 56 CA ALA A 9 15.819 -12.158 -13.328 1.00 97.81 C +ATOM 57 C ALA A 9 15.539 -12.474 -11.866 1.00 98.07 C +ATOM 58 O ALA A 9 15.047 -13.554 -11.530 1.00 97.18 O +ATOM 59 CB ALA A 9 14.591 -11.521 -13.983 1.00 96.65 C +ATOM 60 N GLY A 10 15.855 -11.538 -10.988 1.00 97.86 N +ATOM 61 CA GLY A 10 15.607 -11.728 -9.570 1.00 97.48 C +ATOM 62 C GLY A 10 14.118 -11.743 -9.245 1.00 97.84 C +ATOM 63 O GLY A 10 13.293 -11.336 -10.062 1.00 98.17 O +ATOM 64 N PRO A 11 13.760 -12.196 -8.044 1.00 98.38 N +ATOM 65 CA PRO A 11 12.350 -12.239 -7.647 1.00 98.20 C +ATOM 66 C PRO A 11 11.782 -10.840 -7.442 1.00 98.45 C +ATOM 67 O PRO A 11 12.518 -9.876 -7.199 1.00 98.17 O +ATOM 68 CB PRO A 11 12.372 -13.027 -6.334 1.00 97.47 C +ATOM 69 CG PRO A 11 13.723 -12.734 -5.767 1.00 96.16 C +ATOM 70 CD PRO A 11 14.635 -12.686 -6.977 1.00 97.89 C +ATOM 71 N ALA A 12 10.454 -10.730 -7.543 1.00 98.16 N +ATOM 72 CA ALA A 12 9.784 -9.460 -7.302 1.00 98.10 C +ATOM 73 C ALA A 12 9.961 -9.053 -5.843 1.00 98.29 C +ATOM 74 O ALA A 12 10.051 -9.905 -4.952 1.00 97.34 O +ATOM 75 CB ALA A 12 8.297 -9.573 -7.640 1.00 97.26 C +ATOM 76 N GLY A 13 10.023 -7.761 -5.598 1.00 97.97 N +ATOM 77 CA GLY A 13 10.174 -7.260 -4.243 1.00 97.46 C +ATOM 78 C GLY A 13 8.926 -7.516 -3.404 1.00 97.82 C +ATOM 79 O GLY A 13 7.868 -7.855 -3.934 1.00 98.09 O +ATOM 80 N PRO A 14 9.033 -7.336 -2.086 1.00 98.49 N +ATOM 81 CA PRO A 14 7.891 -7.566 -1.205 1.00 98.20 C +ATOM 82 C PRO A 14 6.800 -6.517 -1.410 1.00 98.30 C +ATOM 83 O PRO A 14 7.055 -5.402 -1.867 1.00 97.99 O +ATOM 84 CB PRO A 14 8.490 -7.474 0.198 1.00 97.47 C +ATOM 85 CG PRO A 14 9.650 -6.548 0.028 1.00 96.36 C +ATOM 86 CD PRO A 14 10.214 -6.897 -1.331 1.00 97.98 C +ATOM 87 N VAL A 15 5.557 -6.896 -1.061 1.00 98.31 N +ATOM 88 CA VAL A 15 4.430 -5.972 -1.125 1.00 98.21 C +ATOM 89 C VAL A 15 4.636 -4.887 -0.068 1.00 98.21 C +ATOM 90 O VAL A 15 5.075 -5.174 1.049 1.00 97.90 O +ATOM 91 CB VAL A 15 3.101 -6.714 -0.893 1.00 97.52 C +ATOM 92 CG1 VAL A 15 1.926 -5.744 -0.883 1.00 93.38 C +ATOM 93 CG2 VAL A 15 2.892 -7.767 -1.973 1.00 93.66 C +ATOM 94 N GLY A 16 4.332 -3.644 -0.430 1.00 98.26 N +ATOM 95 CA GLY A 16 4.491 -2.538 0.501 1.00 98.04 C +ATOM 96 C GLY A 16 3.507 -2.614 1.664 1.00 98.23 C +ATOM 97 O GLY A 16 2.550 -3.390 1.635 1.00 98.36 O +ATOM 98 N PRO A 17 3.723 -1.801 2.700 1.00 98.46 N +ATOM 99 CA PRO A 17 2.835 -1.813 3.860 1.00 98.31 C +ATOM 100 C PRO A 17 1.445 -1.291 3.510 1.00 98.49 C +ATOM 101 O PRO A 17 1.268 -0.537 2.554 1.00 98.07 O +ATOM 102 CB PRO A 17 3.537 -0.899 4.860 1.00 97.69 C +ATOM 103 CG PRO A 17 4.315 0.045 4.001 1.00 96.72 C +ATOM 104 CD PRO A 17 4.789 -0.804 2.845 1.00 97.97 C +ATOM 105 N ALA A 18 0.447 -1.704 4.299 1.00 98.55 N +ATOM 106 CA ALA A 18 -0.912 -1.230 4.100 1.00 98.43 C +ATOM 107 C ALA A 18 -0.987 0.272 4.372 1.00 98.46 C +ATOM 108 O ALA A 18 -0.243 0.805 5.205 1.00 97.68 O +ATOM 109 CB ALA A 18 -1.874 -1.980 5.026 1.00 97.80 C +ATOM 110 N GLY A 19 -1.883 0.946 3.650 1.00 98.49 N +ATOM 111 CA GLY A 19 -2.062 2.370 3.847 1.00 98.23 C +ATOM 112 C GLY A 19 -2.621 2.684 5.224 1.00 98.37 C +ATOM 113 O GLY A 19 -3.222 1.829 5.884 1.00 98.24 O +ATOM 114 N ALA A 20 -2.429 3.921 5.665 1.00 98.20 N +ATOM 115 CA ALA A 20 -2.926 4.353 6.963 1.00 98.04 C +ATOM 116 C ALA A 20 -4.449 4.387 6.973 1.00 98.16 C +ATOM 117 O ALA A 20 -5.099 4.585 5.949 1.00 97.67 O +ATOM 118 CB ALA A 20 -2.374 5.735 7.298 1.00 97.11 C +ATOM 119 N ARG A 21 -5.024 4.199 8.157 1.00 97.85 N +ATOM 120 CA ARG A 21 -6.469 4.279 8.310 1.00 97.78 C +ATOM 121 C ARG A 21 -6.920 5.701 7.996 1.00 97.82 C +ATOM 122 O ARG A 21 -6.220 6.665 8.307 1.00 97.27 O +ATOM 123 CB ARG A 21 -6.883 3.878 9.732 1.00 96.33 C +ATOM 124 CG ARG A 21 -8.393 3.882 9.951 1.00 91.67 C +ATOM 125 CD ARG A 21 -8.751 3.503 11.376 1.00 88.02 C +ATOM 126 NE ARG A 21 -10.196 3.514 11.588 1.00 82.67 N +ATOM 127 CZ ARG A 21 -10.788 3.283 12.747 1.00 79.58 C +ATOM 128 NH1 ARG A 21 -10.075 3.021 13.827 1.00 76.26 N +ATOM 129 NH2 ARG A 21 -12.105 3.315 12.838 1.00 75.03 N +ATOM 130 N GLY A 22 -8.099 5.828 7.401 1.00 98.42 N +ATOM 131 CA GLY A 22 -8.637 7.139 7.086 1.00 98.23 C +ATOM 132 C GLY A 22 -8.995 7.933 8.327 1.00 98.34 C +ATOM 133 O GLY A 22 -9.020 7.390 9.439 1.00 98.23 O +ATOM 134 N PRO A 23 -9.284 9.229 8.170 1.00 97.84 N +ATOM 135 CA PRO A 23 -9.622 10.082 9.303 1.00 97.85 C +ATOM 136 C PRO A 23 -10.957 9.690 9.920 1.00 98.02 C +ATOM 137 O PRO A 23 -11.792 9.065 9.272 1.00 97.80 O +ATOM 138 CB PRO A 23 -9.671 11.485 8.698 1.00 96.80 C +ATOM 139 CG PRO A 23 -10.034 11.241 7.272 1.00 95.08 C +ATOM 140 CD PRO A 23 -9.315 9.966 6.907 1.00 96.92 C +HETATM 141 N HYP A 24 -11.192 10.104 11.146 1.00 97.95 N +HETATM 142 CA HYP A 24 -12.431 9.873 11.843 1.00 97.86 C +HETATM 143 C HYP A 24 -13.580 10.553 11.094 1.00 98.16 C +HETATM 144 O HYP A 24 -13.370 11.586 10.450 1.00 97.76 O +HETATM 145 CB HYP A 24 -12.194 10.487 13.225 1.00 96.90 C +HETATM 146 CG HYP A 24 -10.694 10.463 13.412 1.00 94.72 C +HETATM 147 CD HYP A 24 -10.191 10.717 12.025 1.00 96.37 C +HETATM 148 OD1 HYP A 24 -10.266 9.196 13.855 1.00 95.34 O +ATOM 149 N GLY A 25 -14.735 9.963 11.175 1.00 98.10 N +ATOM 150 CA GLY A 25 -15.898 10.573 10.579 1.00 98.15 C +ATOM 151 C GLY A 25 -16.278 11.856 11.312 1.00 98.32 C +ATOM 152 O GLY A 25 -15.761 12.150 12.393 1.00 98.17 O +ATOM 153 N PRO A 26 -17.202 12.627 10.733 1.00 97.50 N +ATOM 154 CA PRO A 26 -17.629 13.883 11.348 1.00 97.58 C +ATOM 155 C PRO A 26 -18.408 13.640 12.628 1.00 97.71 C +ATOM 156 O PRO A 26 -18.976 12.574 12.833 1.00 97.26 O +ATOM 157 CB PRO A 26 -18.498 14.528 10.271 1.00 96.37 C +ATOM 158 CG PRO A 26 -19.026 13.363 9.497 1.00 94.58 C +ATOM 159 CD PRO A 26 -17.894 12.372 9.471 1.00 96.67 C +HETATM 160 N HYP A 27 -18.478 14.626 13.494 1.00 97.65 N +HETATM 161 CA HYP A 27 -19.257 14.546 14.728 1.00 96.75 C +HETATM 162 C HYP A 27 -20.739 14.336 14.417 1.00 97.25 C +HETATM 163 O HYP A 27 -21.238 14.830 13.411 1.00 96.82 O +HETATM 164 CB HYP A 27 -19.037 15.950 15.362 1.00 94.77 C +HETATM 165 CG HYP A 27 -17.738 16.467 14.795 1.00 93.49 C +HETATM 166 CD HYP A 27 -17.721 15.885 13.399 1.00 95.54 C +HETATM 167 OD1 HYP A 27 -16.616 15.934 15.503 1.00 93.04 O +ATOM 168 N GLY A 28 -21.395 13.595 15.265 1.00 96.11 N +ATOM 169 CA GLY A 28 -22.812 13.395 15.108 1.00 96.19 C +ATOM 170 C GLY A 28 -23.579 14.686 15.372 1.00 96.51 C +ATOM 171 O GLY A 28 -23.013 15.670 15.852 1.00 96.33 O +ATOM 172 N PRO A 29 -24.885 14.692 15.066 1.00 94.21 N +ATOM 173 CA PRO A 29 -25.701 15.886 15.277 1.00 93.86 C +ATOM 174 C PRO A 29 -25.870 16.191 16.754 1.00 93.93 C +ATOM 175 O PRO A 29 -25.752 15.306 17.601 1.00 93.05 O +ATOM 176 CB PRO A 29 -27.025 15.522 14.612 1.00 91.58 C +ATOM 177 CG PRO A 29 -27.072 14.033 14.707 1.00 89.72 C +ATOM 178 CD PRO A 29 -25.650 13.584 14.506 1.00 92.98 C +HETATM 179 N HYP A 30 -26.197 17.435 17.102 1.00 95.86 N +HETATM 180 CA HYP A 30 -26.436 17.813 18.476 1.00 92.97 C +HETATM 181 C HYP A 30 -27.663 17.083 19.062 1.00 95.55 C +HETATM 182 O HYP A 30 -28.560 16.754 18.327 1.00 93.82 O +HETATM 183 CB HYP A 30 -26.785 19.356 18.351 1.00 91.63 C +HETATM 184 CG HYP A 30 -26.119 19.817 17.076 1.00 89.19 C +HETATM 185 CD HYP A 30 -26.200 18.584 16.180 1.00 92.76 C +HETATM 186 OD1 HYP A 30 -24.737 20.102 17.297 1.00 89.19 O +ATOM 187 N GLY A 31 -27.619 16.807 20.336 1.00 88.51 N +ATOM 188 CA GLY A 31 -28.744 16.174 20.981 1.00 87.89 C +ATOM 189 C GLY A 31 -29.951 17.093 20.987 1.00 88.12 C +ATOM 190 O GLY A 31 -29.837 18.283 20.686 1.00 87.60 O +ATOM 191 N PRO A 32 -31.132 16.578 21.354 1.00 91.14 N +ATOM 192 CA PRO A 32 -32.341 17.394 21.384 1.00 91.15 C +ATOM 193 C PRO A 32 -32.248 18.476 22.441 1.00 90.52 C +ATOM 194 O PRO A 32 -31.621 18.286 23.484 1.00 87.34 O +ATOM 195 CB PRO A 32 -33.454 16.390 21.682 1.00 87.04 C +ATOM 196 CG PRO A 32 -32.754 15.284 22.393 1.00 84.24 C +ATOM 197 CD PRO A 32 -31.393 15.199 21.751 1.00 87.90 C +HETATM 198 N HYP A 33 -32.931 19.623 22.209 1.00 94.65 N +HETATM 199 CA HYP A 33 -32.806 20.686 23.179 1.00 89.51 C +HETATM 200 C HYP A 33 -33.318 20.291 24.546 1.00 88.99 C +HETATM 201 O HYP A 33 -34.311 19.551 24.626 1.00 89.03 O +HETATM 202 CB HYP A 33 -33.664 21.864 22.565 1.00 87.00 C +HETATM 203 CG HYP A 33 -33.909 21.509 21.125 1.00 84.59 C +HETATM 204 CD HYP A 33 -33.750 19.994 21.053 1.00 90.81 C +HETATM 205 OD1 HYP A 33 -32.893 22.106 20.348 1.00 82.64 O +HETATM 206 OXT HYP A 33 -32.665 20.720 25.530 1.00 89.30 O +TER 207 HYP A 33 +END diff --git a/protein_pdb_439.txt b/protein_pdb_439.txt new file mode 100644 index 0000000000000000000000000000000000000000..5b5a57ba776a732bc32eaeda5ab3595a1ed6d111 --- /dev/null +++ b/protein_pdb_439.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -5.856 15.807 2.069 1.00 87.40 N +ATOM 2 CA GLY A 1 -6.533 14.693 1.489 1.00 88.82 C +ATOM 3 C GLY A 1 -6.523 13.462 2.367 1.00 90.01 C +ATOM 4 O GLY A 1 -5.778 13.397 3.342 1.00 88.31 O +ATOM 5 N PRO A 2 -7.301 12.497 2.034 1.00 86.70 N +ATOM 6 CA PRO A 2 -7.410 11.283 2.822 1.00 88.18 C +ATOM 7 C PRO A 2 -6.241 10.343 2.594 1.00 88.54 C +ATOM 8 O PRO A 2 -5.483 10.484 1.638 1.00 86.19 O +ATOM 9 CB PRO A 2 -8.714 10.669 2.321 1.00 85.28 C +ATOM 10 CG PRO A 2 -8.782 11.112 0.908 1.00 82.25 C +ATOM 11 CD PRO A 2 -8.194 12.491 0.880 1.00 83.46 C +HETATM 12 N HYP A 3 -6.136 9.372 3.487 1.00 86.58 N +HETATM 13 CA HYP A 3 -5.125 8.347 3.320 1.00 87.38 C +HETATM 14 C HYP A 3 -5.360 7.540 2.052 1.00 89.57 C +HETATM 15 O HYP A 3 -6.515 7.389 1.611 1.00 90.13 O +HETATM 16 CB HYP A 3 -5.335 7.454 4.583 1.00 85.23 C +HETATM 17 CG HYP A 3 -5.909 8.425 5.595 1.00 82.49 C +HETATM 18 CD HYP A 3 -6.808 9.330 4.724 1.00 85.82 C +HETATM 19 OD1 HYP A 3 -4.868 9.188 6.142 1.00 86.70 O +ATOM 20 N GLY A 4 -4.302 7.123 1.439 1.00 91.02 N +ATOM 21 CA GLY A 4 -4.394 6.302 0.261 1.00 90.48 C +ATOM 22 C GLY A 4 -4.936 4.927 0.583 1.00 90.90 C +ATOM 23 O GLY A 4 -5.109 4.560 1.750 1.00 90.93 O +ATOM 24 N PRO A 5 -5.200 4.132 -0.448 1.00 89.81 N +ATOM 25 CA PRO A 5 -5.734 2.799 -0.238 1.00 89.88 C +ATOM 26 C PRO A 5 -4.684 1.853 0.322 1.00 90.23 C +ATOM 27 O PRO A 5 -3.486 2.125 0.262 1.00 88.81 O +ATOM 28 CB PRO A 5 -6.171 2.371 -1.637 1.00 87.81 C +ATOM 29 CG PRO A 5 -5.288 3.141 -2.548 1.00 86.55 C +ATOM 30 CD PRO A 5 -5.012 4.444 -1.862 1.00 88.67 C +HETATM 31 N HYP A 6 -5.167 0.731 0.873 1.00 87.55 N +HETATM 32 CA HYP A 6 -4.264 -0.301 1.330 1.00 91.19 C +HETATM 33 C HYP A 6 -3.363 -0.806 0.232 1.00 88.09 C +HETATM 34 O HYP A 6 -3.768 -0.836 -0.957 1.00 91.66 O +HETATM 35 CB HYP A 6 -5.187 -1.367 1.877 1.00 86.08 C +HETATM 36 CG HYP A 6 -6.455 -0.624 2.242 1.00 86.13 C +HETATM 37 CD HYP A 6 -6.540 0.414 1.153 1.00 88.69 C +HETATM 38 OD1 HYP A 6 -6.308 -0.004 3.492 1.00 87.86 O +ATOM 39 N GLY A 7 -2.152 -1.115 0.556 1.00 91.61 N +ATOM 40 CA GLY A 7 -1.229 -1.657 -0.404 1.00 91.09 C +ATOM 41 C GLY A 7 -1.647 -3.027 -0.892 1.00 91.12 C +ATOM 42 O GLY A 7 -2.566 -3.650 -0.353 1.00 90.66 O +ATOM 43 N PRO A 8 -0.979 -3.510 -1.910 1.00 90.72 N +ATOM 44 CA PRO A 8 -1.301 -4.823 -2.437 1.00 90.26 C +ATOM 45 C PRO A 8 -0.966 -5.931 -1.457 1.00 89.84 C +ATOM 46 O PRO A 8 -0.112 -5.774 -0.590 1.00 87.49 O +ATOM 47 CB PRO A 8 -0.432 -4.955 -3.690 1.00 88.27 C +ATOM 48 CG PRO A 8 0.153 -3.627 -3.920 1.00 87.60 C +ATOM 49 CD PRO A 8 0.109 -2.865 -2.643 1.00 89.69 C +HETATM 50 N HYP A 9 -1.624 -7.081 -1.622 1.00 87.07 N +HETATM 51 CA HYP A 9 -1.341 -8.222 -0.835 1.00 87.28 C +HETATM 52 C HYP A 9 0.055 -8.738 -1.102 1.00 86.97 C +HETATM 53 O HYP A 9 0.552 -8.656 -2.228 1.00 90.03 O +HETATM 54 CB HYP A 9 -2.312 -9.298 -1.355 1.00 84.33 C +HETATM 55 CG HYP A 9 -3.416 -8.553 -1.953 1.00 84.21 C +HETATM 56 CD HYP A 9 -2.774 -7.320 -2.486 1.00 87.11 C +HETATM 57 OD1 HYP A 9 -4.336 -8.194 -0.943 1.00 84.55 O +ATOM 58 N GLY A 10 0.744 -9.229 -0.127 1.00 89.91 N +ATOM 59 CA GLY A 10 1.965 -9.969 -0.330 1.00 86.98 C +ATOM 60 C GLY A 10 1.656 -11.380 -0.799 1.00 87.19 C +ATOM 61 O GLY A 10 0.530 -11.704 -1.177 1.00 85.36 O +ATOM 62 N HIS A 11 2.660 -12.228 -0.778 1.00 89.47 N +ATOM 63 CA HIS A 11 2.428 -13.634 -1.108 1.00 91.34 C +ATOM 64 C HIS A 11 1.418 -14.237 -0.138 1.00 91.24 C +ATOM 65 O HIS A 11 0.530 -14.991 -0.541 1.00 88.88 O +ATOM 66 CB HIS A 11 3.743 -14.408 -1.060 1.00 90.04 C +ATOM 67 CG HIS A 11 4.650 -14.110 -2.212 1.00 85.57 C +ATOM 68 ND1 HIS A 11 5.053 -12.843 -2.543 1.00 80.14 N +ATOM 69 CD2 HIS A 11 5.229 -14.933 -3.103 1.00 77.69 C +ATOM 70 CE1 HIS A 11 5.844 -12.915 -3.597 1.00 79.35 C +ATOM 71 NE2 HIS A 11 5.972 -14.169 -3.958 1.00 79.95 N +ATOM 72 N HIS A 12 1.573 -13.897 1.126 1.00 88.45 N +ATOM 73 CA HIS A 12 0.610 -14.213 2.173 1.00 90.45 C +ATOM 74 C HIS A 12 0.466 -12.973 3.026 1.00 90.17 C +ATOM 75 O HIS A 12 1.443 -12.243 3.230 1.00 86.13 O +ATOM 76 CB HIS A 12 1.100 -15.370 3.045 1.00 89.11 C +ATOM 77 CG HIS A 12 1.119 -16.687 2.340 1.00 84.91 C +ATOM 78 ND1 HIS A 12 0.026 -17.505 2.263 1.00 79.84 N +ATOM 79 CD2 HIS A 12 2.110 -17.319 1.674 1.00 75.28 C +ATOM 80 CE1 HIS A 12 0.354 -18.587 1.564 1.00 77.76 C +ATOM 81 NE2 HIS A 12 1.597 -18.502 1.204 1.00 78.37 N +ATOM 82 N GLY A 13 -0.723 -12.749 3.540 1.00 91.42 N +ATOM 83 CA GLY A 13 -0.910 -11.658 4.464 1.00 90.04 C +ATOM 84 C GLY A 13 -1.819 -10.581 3.914 1.00 90.73 C +ATOM 85 O GLY A 13 -2.222 -10.617 2.750 1.00 90.35 O +ATOM 86 N PRO A 14 -2.160 -9.659 4.768 1.00 91.12 N +ATOM 87 CA PRO A 14 -3.140 -8.641 4.428 1.00 90.97 C +ATOM 88 C PRO A 14 -2.574 -7.577 3.503 1.00 90.91 C +ATOM 89 O PRO A 14 -1.375 -7.499 3.269 1.00 88.86 O +ATOM 90 CB PRO A 14 -3.499 -8.045 5.789 1.00 89.21 C +ATOM 91 CG PRO A 14 -2.258 -8.204 6.581 1.00 88.45 C +ATOM 92 CD PRO A 14 -1.652 -9.495 6.132 1.00 89.54 C +HETATM 93 N HYP A 15 -3.474 -6.801 3.015 1.00 87.59 N +HETATM 94 CA HYP A 15 -3.097 -5.629 2.260 1.00 89.87 C +HETATM 95 C HYP A 15 -2.178 -4.764 3.047 1.00 90.48 C +HETATM 96 O HYP A 15 -2.219 -4.780 4.303 1.00 90.67 O +HETATM 97 CB HYP A 15 -4.447 -5.012 1.951 1.00 85.67 C +HETATM 98 CG HYP A 15 -5.409 -6.195 1.943 1.00 84.91 C +HETATM 99 CD HYP A 15 -4.886 -7.057 3.063 1.00 88.54 C +HETATM 100 OD1 HYP A 15 -5.337 -6.849 0.726 1.00 87.10 O +ATOM 101 N GLY A 16 -1.365 -4.014 2.408 1.00 92.50 N +ATOM 102 CA GLY A 16 -0.488 -3.094 3.086 1.00 91.55 C +ATOM 103 C GLY A 16 -1.252 -1.989 3.779 1.00 92.11 C +ATOM 104 O GLY A 16 -2.467 -1.865 3.640 1.00 91.52 O +ATOM 105 N PRO A 17 -0.527 -1.179 4.531 1.00 89.34 N +ATOM 106 CA PRO A 17 -1.167 -0.068 5.226 1.00 88.99 C +ATOM 107 C PRO A 17 -1.699 0.973 4.262 1.00 89.33 C +ATOM 108 O PRO A 17 -1.294 1.035 3.102 1.00 87.31 O +ATOM 109 CB PRO A 17 -0.042 0.531 6.081 1.00 87.02 C +ATOM 110 CG PRO A 17 1.121 -0.337 5.914 1.00 85.79 C +ATOM 111 CD PRO A 17 0.917 -1.227 4.750 1.00 87.62 C +HETATM 112 N HYP A 18 -2.628 1.789 4.757 1.00 86.27 N +HETATM 113 CA HYP A 18 -3.078 2.890 4.000 1.00 87.28 C +HETATM 114 C HYP A 18 -1.979 3.791 3.572 1.00 86.36 C +HETATM 115 O HYP A 18 -0.975 3.945 4.306 1.00 90.77 O +HETATM 116 CB HYP A 18 -4.074 3.561 4.932 1.00 85.13 C +HETATM 117 CG HYP A 18 -4.562 2.446 5.840 1.00 85.80 C +HETATM 118 CD HYP A 18 -3.323 1.640 6.017 1.00 88.54 C +HETATM 119 OD1 HYP A 18 -5.562 1.705 5.188 1.00 87.61 O +ATOM 120 N GLY A 19 -2.078 4.347 2.422 1.00 89.92 N +ATOM 121 CA GLY A 19 -1.112 5.297 1.949 1.00 89.25 C +ATOM 122 C GLY A 19 -1.108 6.560 2.784 1.00 89.61 C +ATOM 123 O GLY A 19 -1.957 6.750 3.657 1.00 89.28 O +ATOM 124 N PRO A 20 -0.159 7.416 2.523 1.00 84.30 N +ATOM 125 CA PRO A 20 -0.059 8.647 3.294 1.00 84.46 C +ATOM 126 C PRO A 20 -1.186 9.610 2.964 1.00 83.42 C +ATOM 127 O PRO A 20 -1.820 9.515 1.917 1.00 82.00 O +ATOM 128 CB PRO A 20 1.294 9.218 2.874 1.00 81.92 C +ATOM 129 CG PRO A 20 1.508 8.674 1.514 1.00 79.99 C +ATOM 130 CD PRO A 20 0.874 7.317 1.500 1.00 83.77 C +HETATM 131 N HYP A 21 -1.431 10.514 3.872 1.00 87.36 N +HETATM 132 CA HYP A 21 -2.381 11.546 3.653 1.00 85.99 C +HETATM 133 C HYP A 21 -2.052 12.414 2.475 1.00 86.97 C +HETATM 134 O HYP A 21 -0.866 12.681 2.229 1.00 90.39 O +HETATM 135 CB HYP A 21 -2.319 12.370 4.952 1.00 84.41 C +HETATM 136 CG HYP A 21 -1.799 11.415 5.998 1.00 83.23 C +HETATM 137 CD HYP A 21 -0.857 10.568 5.220 1.00 87.56 C +HETATM 138 OD1 HYP A 21 -2.878 10.607 6.474 1.00 85.99 O +ATOM 139 N GLY A 22 -3.004 12.744 1.703 1.00 88.54 N +ATOM 140 CA GLY A 22 -2.802 13.693 0.646 1.00 87.27 C +ATOM 141 C GLY A 22 -2.596 15.085 1.211 1.00 87.12 C +ATOM 142 O GLY A 22 -2.777 15.322 2.407 1.00 86.80 O +ATOM 143 N PRO A 23 -2.227 16.028 0.369 1.00 86.60 N +ATOM 144 CA PRO A 23 -2.109 17.404 0.841 1.00 87.09 C +ATOM 145 C PRO A 23 -3.497 17.965 1.106 1.00 85.62 C +ATOM 146 O PRO A 23 -4.331 17.990 0.202 1.00 81.61 O +ATOM 147 CB PRO A 23 -1.405 18.130 -0.300 1.00 83.56 C +ATOM 148 CG PRO A 23 -1.398 17.210 -1.450 1.00 81.36 C +ATOM 149 CD PRO A 23 -1.933 15.877 -1.039 1.00 83.98 C +HETATM 150 N HYP A 24 -3.844 18.261 2.286 1.00 87.79 N +HETATM 151 CA HYP A 24 -5.269 18.357 2.653 1.00 81.22 C +HETATM 152 C HYP A 24 -6.149 17.376 2.345 1.00 87.08 C +HETATM 153 O HYP A 24 -6.998 17.628 1.378 1.00 83.68 O +HETATM 154 CB HYP A 24 -5.388 19.338 3.762 1.00 81.78 C +HETATM 155 CG HYP A 24 -4.030 20.005 3.872 1.00 81.80 C +HETATM 156 CD HYP A 24 -3.080 19.210 2.937 1.00 87.28 C +HETATM 157 OD1 HYP A 24 -3.516 19.921 5.185 1.00 86.64 O +HETATM 158 OXT HYP A 24 -6.754 16.715 3.411 1.00 81.23 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_44.txt b/protein_pdb_44.txt new file mode 100644 index 0000000000000000000000000000000000000000..0cbe70e5c5d57c96a5b1d2e762141fdb4d47bd09 --- /dev/null +++ b/protein_pdb_44.txt @@ -0,0 +1,178 @@ +ATOM 1 N GLY A 1 -0.966 -10.906 -5.968 1.00 77.50 N +ATOM 2 CA GLY A 1 -0.787 -9.799 -6.886 1.00 79.54 C +ATOM 3 C GLY A 1 0.157 -8.767 -6.325 1.00 79.90 C +ATOM 4 O GLY A 1 0.682 -8.935 -5.226 1.00 76.58 O +ATOM 5 N PRO A 2 0.381 -7.706 -7.061 1.00 82.60 N +ATOM 6 CA PRO A 2 1.289 -6.671 -6.595 1.00 83.57 C +ATOM 7 C PRO A 2 0.696 -5.883 -5.438 1.00 83.40 C +ATOM 8 O PRO A 2 -0.510 -5.894 -5.220 1.00 80.99 O +ATOM 9 CB PRO A 2 1.482 -5.792 -7.825 1.00 78.58 C +ATOM 10 CG PRO A 2 0.225 -5.951 -8.587 1.00 72.59 C +ATOM 11 CD PRO A 2 -0.191 -7.380 -8.371 1.00 72.19 C +HETATM 12 N HYP A 3 1.508 -5.242 -4.729 1.00 76.65 N +HETATM 13 CA HYP A 3 1.108 -4.374 -3.678 1.00 82.88 C +HETATM 14 C HYP A 3 0.172 -3.284 -4.146 1.00 78.17 C +HETATM 15 O HYP A 3 0.270 -2.799 -5.308 1.00 83.82 O +HETATM 16 CB HYP A 3 2.479 -3.800 -3.231 1.00 78.17 C +HETATM 17 CG HYP A 3 3.458 -4.880 -3.575 1.00 75.47 C +HETATM 18 CD HYP A 3 2.930 -5.355 -4.905 1.00 76.56 C +HETATM 19 OD1 HYP A 3 3.431 -5.931 -2.644 1.00 81.50 O +ATOM 20 N GLY A 4 -0.741 -2.934 -3.302 1.00 83.94 N +ATOM 21 CA GLY A 4 -1.638 -1.858 -3.604 1.00 80.87 C +ATOM 22 C GLY A 4 -0.909 -0.522 -3.611 1.00 80.83 C +ATOM 23 O GLY A 4 0.277 -0.443 -3.288 1.00 79.54 O +ATOM 24 N PRO A 5 -1.626 0.518 -3.979 1.00 82.84 N +ATOM 25 CA PRO A 5 -1.015 1.842 -4.006 1.00 81.37 C +ATOM 26 C PRO A 5 -0.757 2.350 -2.601 1.00 80.30 C +ATOM 27 O PRO A 5 -1.322 1.858 -1.630 1.00 78.05 O +ATOM 28 CB PRO A 5 -2.051 2.690 -4.729 1.00 77.36 C +ATOM 29 CG PRO A 5 -3.343 2.026 -4.410 1.00 74.63 C +ATOM 30 CD PRO A 5 -3.031 0.560 -4.368 1.00 77.18 C +HETATM 31 N HYP A 6 0.067 3.353 -2.471 1.00 76.68 N +HETATM 32 CA HYP A 6 0.354 3.968 -1.236 1.00 77.49 C +HETATM 33 C HYP A 6 -0.874 4.566 -0.580 1.00 75.97 C +HETATM 34 O HYP A 6 -1.800 5.025 -1.266 1.00 79.45 O +HETATM 35 CB HYP A 6 1.412 5.019 -1.669 1.00 74.95 C +HETATM 36 CG HYP A 6 2.051 4.399 -2.877 1.00 76.01 C +HETATM 37 CD HYP A 6 0.885 3.775 -3.555 1.00 80.75 C +HETATM 38 OD1 HYP A 6 2.989 3.413 -2.510 1.00 76.89 O +ATOM 39 N GLY A 7 -0.875 4.466 0.713 1.00 75.05 N +ATOM 40 CA GLY A 7 -1.965 4.993 1.477 1.00 72.76 C +ATOM 41 C GLY A 7 -2.009 6.504 1.430 1.00 73.84 C +ATOM 42 O GLY A 7 -1.144 7.158 0.842 1.00 71.82 O +ATOM 43 N GLN A 8 -3.027 7.038 2.075 1.00 80.41 N +ATOM 44 CA GLN A 8 -3.180 8.469 2.165 1.00 78.96 C +ATOM 45 C GLN A 8 -2.135 9.055 3.093 1.00 78.41 C +ATOM 46 O GLN A 8 -1.517 8.344 3.879 1.00 75.88 O +ATOM 47 CB GLN A 8 -4.581 8.812 2.661 1.00 74.79 C +ATOM 48 CG GLN A 8 -5.673 8.343 1.713 1.00 71.73 C +ATOM 49 CD GLN A 8 -5.562 8.981 0.350 1.00 69.28 C +ATOM 50 OE1 GLN A 8 -5.419 10.196 0.241 1.00 67.00 O +ATOM 51 NE2 GLN A 8 -5.619 8.175 -0.693 1.00 65.82 N +HETATM 52 N HYP A 9 -1.942 10.378 3.038 1.00 74.01 N +HETATM 53 CA HYP A 9 -1.079 11.002 3.915 1.00 78.23 C +HETATM 54 C HYP A 9 -1.435 10.848 5.352 1.00 74.54 C +HETATM 55 O HYP A 9 -2.599 10.979 5.727 1.00 76.51 O +HETATM 56 CB HYP A 9 -1.033 12.441 3.457 1.00 74.77 C +HETATM 57 CG HYP A 9 -1.288 12.318 1.981 1.00 69.65 C +HETATM 58 CD HYP A 9 -2.275 11.231 1.913 1.00 74.71 C +HETATM 59 OD1 HYP A 9 -0.133 11.945 1.263 1.00 68.69 O +ATOM 60 N GLY A 10 -0.443 10.468 6.140 1.00 77.83 N +ATOM 61 CA GLY A 10 -0.647 10.212 7.541 1.00 73.61 C +ATOM 62 C GLY A 10 -0.541 11.471 8.371 1.00 75.08 C +ATOM 63 O GLY A 10 -0.493 12.595 7.857 1.00 72.37 O +ATOM 64 N LEU A 11 -0.478 11.275 9.656 1.00 77.67 N +ATOM 65 CA LEU A 11 -0.382 12.359 10.604 1.00 79.39 C +ATOM 66 C LEU A 11 0.888 13.162 10.361 1.00 79.20 C +ATOM 67 O LEU A 11 1.957 12.590 10.148 1.00 76.20 O +ATOM 68 CB LEU A 11 -0.389 11.786 12.019 1.00 75.72 C +ATOM 69 CG LEU A 11 -0.619 12.773 13.149 1.00 69.83 C +ATOM 70 CD1 LEU A 11 -2.008 13.363 13.080 1.00 69.90 C +ATOM 71 CD2 LEU A 11 -0.395 12.089 14.493 1.00 67.12 C +HETATM 72 N HYP A 12 0.813 14.458 10.446 1.00 70.39 N +HETATM 73 CA HYP A 12 1.939 15.311 10.129 1.00 73.54 C +HETATM 74 C HYP A 12 2.598 15.056 8.934 1.00 70.86 C +HETATM 75 O HYP A 12 3.835 14.775 8.945 1.00 77.63 O +HETATM 76 CB HYP A 12 1.950 16.505 10.901 1.00 74.49 C +HETATM 77 CG HYP A 12 0.627 16.397 11.602 1.00 70.19 C +HETATM 78 CD HYP A 12 0.270 14.972 11.536 1.00 73.14 C +HETATM 79 OD1 HYP A 12 -0.393 17.126 11.036 1.00 72.61 O +ATOM 80 N GLY A 13 1.887 14.959 7.857 1.00 78.80 N +ATOM 81 CA GLY A 13 2.401 14.860 6.516 1.00 76.72 C +ATOM 82 C GLY A 13 3.092 13.557 6.187 1.00 76.78 C +ATOM 83 O GLY A 13 3.557 13.382 5.063 1.00 73.85 O +ATOM 84 N LEU A 14 3.165 12.627 7.127 1.00 82.76 N +ATOM 85 CA LEU A 14 3.796 11.342 6.876 1.00 83.28 C +ATOM 86 C LEU A 14 2.861 10.504 6.025 1.00 83.24 C +ATOM 87 O LEU A 14 1.708 10.304 6.380 1.00 80.13 O +ATOM 88 CB LEU A 14 4.094 10.617 8.180 1.00 78.50 C +ATOM 89 CG LEU A 14 5.129 11.297 9.075 1.00 73.11 C +ATOM 90 CD1 LEU A 14 5.232 10.563 10.401 1.00 72.45 C +ATOM 91 CD2 LEU A 14 6.487 11.359 8.396 1.00 69.86 C +HETATM 92 N HYP A 15 3.362 9.968 4.977 1.00 75.28 N +HETATM 93 CA HYP A 15 2.507 9.206 4.076 1.00 78.84 C +HETATM 94 C HYP A 15 1.979 7.942 4.756 1.00 77.78 C +HETATM 95 O HYP A 15 2.665 7.383 5.633 1.00 79.77 O +HETATM 96 CB HYP A 15 3.483 8.801 2.959 1.00 76.96 C +HETATM 97 CG HYP A 15 4.573 9.833 3.047 1.00 74.26 C +HETATM 98 CD HYP A 15 4.713 10.082 4.515 1.00 79.67 C +HETATM 99 OD1 HYP A 15 4.202 11.020 2.402 1.00 76.85 O +ATOM 100 N GLY A 16 0.827 7.581 4.402 1.00 80.84 N +ATOM 101 CA GLY A 16 0.319 6.333 4.900 1.00 78.88 C +ATOM 102 C GLY A 16 1.113 5.182 4.325 1.00 82.04 C +ATOM 103 O GLY A 16 1.889 5.351 3.381 1.00 82.12 O +ATOM 104 N PRO A 17 0.926 4.005 4.894 1.00 80.21 N +ATOM 105 CA PRO A 17 1.643 2.852 4.379 1.00 80.55 C +ATOM 106 C PRO A 17 1.085 2.427 3.031 1.00 82.01 C +ATOM 107 O PRO A 17 -0.034 2.770 2.669 1.00 80.17 O +ATOM 108 CB PRO A 17 1.407 1.784 5.442 1.00 76.53 C +ATOM 109 CG PRO A 17 0.094 2.158 6.027 1.00 75.43 C +ATOM 110 CD PRO A 17 0.067 3.660 6.019 1.00 76.39 C +HETATM 111 N HYP A 18 1.843 1.700 2.320 1.00 74.98 N +HETATM 112 CA HYP A 18 1.389 1.136 1.070 1.00 80.95 C +HETATM 113 C HYP A 18 0.155 0.325 1.263 1.00 78.37 C +HETATM 114 O HYP A 18 -0.073 -0.206 2.368 1.00 80.69 O +HETATM 115 CB HYP A 18 2.649 0.319 0.700 1.00 77.19 C +HETATM 116 CG HYP A 18 3.793 1.069 1.343 1.00 77.21 C +HETATM 117 CD HYP A 18 3.209 1.451 2.655 1.00 80.45 C +HETATM 118 OD1 HYP A 18 4.129 2.223 0.600 1.00 78.89 O +ATOM 119 N GLY A 19 -0.654 0.275 0.273 1.00 78.43 N +ATOM 120 CA GLY A 19 -1.839 -0.538 0.336 1.00 76.18 C +ATOM 121 C GLY A 19 -1.492 -2.004 0.473 1.00 77.54 C +ATOM 122 O GLY A 19 -0.332 -2.408 0.337 1.00 77.23 O +ATOM 123 N PRO A 20 -2.508 -2.808 0.745 1.00 76.64 N +ATOM 124 CA PRO A 20 -2.267 -4.234 0.887 1.00 76.57 C +ATOM 125 C PRO A 20 -1.947 -4.868 -0.457 1.00 76.42 C +ATOM 126 O PRO A 20 -2.233 -4.305 -1.510 1.00 74.54 O +ATOM 127 CB PRO A 20 -3.584 -4.760 1.446 1.00 72.34 C +ATOM 128 CG PRO A 20 -4.595 -3.803 0.926 1.00 69.90 C +ATOM 129 CD PRO A 20 -3.914 -2.469 0.917 1.00 70.45 C +HETATM 130 N HYP A 21 -1.371 -6.008 -0.424 1.00 72.18 N +HETATM 131 CA HYP A 21 -1.099 -6.744 -1.611 1.00 76.47 C +HETATM 132 C HYP A 21 -2.336 -7.003 -2.410 1.00 73.79 C +HETATM 133 O HYP A 21 -3.426 -7.167 -1.827 1.00 79.07 O +HETATM 134 CB HYP A 21 -0.480 -8.026 -1.032 1.00 74.83 C +HETATM 135 CG HYP A 21 0.121 -7.613 0.270 1.00 74.56 C +HETATM 136 CD HYP A 21 -0.872 -6.632 0.779 1.00 80.51 C +HETATM 137 OD1 HYP A 21 1.368 -6.976 0.084 1.00 78.51 O +ATOM 138 N GLY A 22 -2.220 -7.008 -3.689 1.00 78.00 N +ATOM 139 CA GLY A 22 -3.328 -7.349 -4.534 1.00 74.97 C +ATOM 140 C GLY A 22 -3.732 -8.796 -4.340 1.00 75.82 C +ATOM 141 O GLY A 22 -3.056 -9.559 -3.650 1.00 76.30 O +ATOM 142 N PRO A 23 -4.835 -9.172 -4.950 1.00 77.42 N +ATOM 143 CA PRO A 23 -5.291 -10.551 -4.819 1.00 77.37 C +ATOM 144 C PRO A 23 -4.360 -11.493 -5.563 1.00 76.70 C +ATOM 145 O PRO A 23 -3.565 -11.076 -6.402 1.00 75.28 O +ATOM 146 CB PRO A 23 -6.681 -10.518 -5.443 1.00 73.08 C +ATOM 147 CG PRO A 23 -6.620 -9.393 -6.404 1.00 70.03 C +ATOM 148 CD PRO A 23 -5.726 -8.366 -5.779 1.00 71.48 C +HETATM 149 N HYP A 24 -4.434 -12.745 -5.276 1.00 72.98 N +HETATM 150 CA HYP A 24 -3.671 -13.727 -5.957 1.00 74.77 C +HETATM 151 C HYP A 24 -3.887 -13.712 -7.437 1.00 71.97 C +HETATM 152 O HYP A 24 -5.011 -13.386 -7.897 1.00 80.20 O +HETATM 153 CB HYP A 24 -4.106 -14.988 -5.301 1.00 74.84 C +HETATM 154 CG HYP A 24 -4.513 -14.581 -3.908 1.00 71.32 C +HETATM 155 CD HYP A 24 -5.146 -13.247 -4.117 1.00 80.04 C +HETATM 156 OD1 HYP A 24 -3.401 -14.450 -3.062 1.00 79.11 O +ATOM 157 N GLY A 25 -2.857 -13.966 -8.202 1.00 71.74 N +ATOM 158 CA GLY A 25 -2.964 -14.040 -9.633 1.00 69.15 C +ATOM 159 C GLY A 25 -3.838 -15.218 -10.042 1.00 68.04 C +ATOM 160 O GLY A 25 -4.239 -16.035 -9.216 1.00 67.87 O +ATOM 161 N PRO A 26 -4.132 -15.316 -11.328 1.00 75.02 N +ATOM 162 CA PRO A 26 -4.965 -16.417 -11.798 1.00 78.76 C +ATOM 163 C PRO A 26 -4.217 -17.735 -11.705 1.00 77.73 C +ATOM 164 O PRO A 26 -2.993 -17.771 -11.655 1.00 75.04 O +ATOM 165 CB PRO A 26 -5.257 -16.040 -13.247 1.00 72.68 C +ATOM 166 CG PRO A 26 -4.100 -15.209 -13.639 1.00 66.80 C +ATOM 167 CD PRO A 26 -3.714 -14.442 -12.410 1.00 69.60 C +HETATM 168 N HYP A 27 -4.872 -18.782 -11.722 1.00 80.09 N +HETATM 169 CA HYP A 27 -4.232 -20.058 -11.634 1.00 75.53 C +HETATM 170 C HYP A 27 -3.111 -20.220 -12.622 1.00 73.15 C +HETATM 171 O HYP A 27 -3.267 -19.686 -13.735 1.00 79.27 O +HETATM 172 CB HYP A 27 -5.387 -21.037 -11.827 1.00 76.92 C +HETATM 173 CG HYP A 27 -6.637 -20.258 -11.567 1.00 73.43 C +HETATM 174 CD HYP A 27 -6.298 -18.839 -11.964 1.00 80.04 C +HETATM 175 OD1 HYP A 27 -6.925 -20.277 -10.177 1.00 80.14 O +HETATM 176 OXT HYP A 27 -2.136 -20.913 -12.256 1.00 81.31 O +TER 177 HYP A 27 +END diff --git a/protein_pdb_440.txt b/protein_pdb_440.txt new file mode 100644 index 0000000000000000000000000000000000000000..e51746483de6bb13a3d1d3430c9a155307f3d71e --- /dev/null +++ b/protein_pdb_440.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 4.021 -16.108 -3.206 1.00 90.34 N +ATOM 2 CA GLY A 1 3.519 -15.245 -4.223 1.00 91.01 C +ATOM 3 C GLY A 1 4.224 -13.912 -4.360 1.00 91.90 C +ATOM 4 O GLY A 1 5.098 -13.578 -3.560 1.00 90.12 O +ATOM 5 N PRO A 2 3.840 -13.184 -5.311 1.00 90.44 N +ATOM 6 CA PRO A 2 4.433 -11.884 -5.574 1.00 90.65 C +ATOM 7 C PRO A 2 3.942 -10.812 -4.616 1.00 90.63 C +ATOM 8 O PRO A 2 2.973 -11.011 -3.886 1.00 88.63 O +ATOM 9 CB PRO A 2 4.007 -11.607 -7.012 1.00 87.99 C +ATOM 10 CG PRO A 2 2.672 -12.255 -7.096 1.00 85.16 C +ATOM 11 CD PRO A 2 2.832 -13.535 -6.313 1.00 87.74 C +HETATM 12 N HYP A 3 4.620 -9.665 -4.646 1.00 89.45 N +HETATM 13 CA HYP A 3 4.202 -8.566 -3.802 1.00 89.68 C +HETATM 14 C HYP A 3 2.798 -8.086 -4.143 1.00 89.88 C +HETATM 15 O HYP A 3 2.375 -8.206 -5.316 1.00 92.39 O +HETATM 16 CB HYP A 3 5.245 -7.461 -4.164 1.00 88.15 C +HETATM 17 CG HYP A 3 6.457 -8.234 -4.575 1.00 84.31 C +HETATM 18 CD HYP A 3 5.846 -9.429 -5.340 1.00 87.83 C +HETATM 19 OD1 HYP A 3 7.123 -8.689 -3.447 1.00 88.40 O +ATOM 20 N GLY A 4 2.103 -7.629 -3.160 1.00 93.41 N +ATOM 21 CA GLY A 4 0.770 -7.145 -3.350 1.00 92.67 C +ATOM 22 C GLY A 4 0.783 -5.830 -4.105 1.00 93.50 C +ATOM 23 O GLY A 4 1.839 -5.257 -4.367 1.00 93.53 O +ATOM 24 N PRO A 5 -0.395 -5.330 -4.465 1.00 91.74 N +ATOM 25 CA PRO A 5 -0.485 -4.073 -5.196 1.00 91.09 C +ATOM 26 C PRO A 5 -0.127 -2.884 -4.318 1.00 91.00 C +ATOM 27 O PRO A 5 -0.145 -2.972 -3.098 1.00 89.95 O +ATOM 28 CB PRO A 5 -1.945 -4.033 -5.641 1.00 89.21 C +ATOM 29 CG PRO A 5 -2.653 -4.792 -4.574 1.00 87.47 C +ATOM 30 CD PRO A 5 -1.711 -5.919 -4.234 1.00 89.80 C +HETATM 31 N HYP A 6 0.227 -1.774 -4.960 1.00 89.46 N +HETATM 32 CA HYP A 6 0.485 -0.543 -4.228 1.00 93.75 C +HETATM 33 C HYP A 6 -0.694 -0.105 -3.403 1.00 91.05 C +HETATM 34 O HYP A 6 -1.859 -0.384 -3.772 1.00 92.87 O +HETATM 35 CB HYP A 6 0.754 0.453 -5.374 1.00 88.00 C +HETATM 36 CG HYP A 6 1.305 -0.411 -6.489 1.00 87.73 C +HETATM 37 CD HYP A 6 0.467 -1.667 -6.369 1.00 89.39 C +HETATM 38 OD1 HYP A 6 2.650 -0.713 -6.223 1.00 88.19 O +ATOM 39 N GLY A 7 -0.440 0.507 -2.300 1.00 93.33 N +ATOM 40 CA GLY A 7 -1.480 1.007 -1.447 1.00 92.85 C +ATOM 41 C GLY A 7 -2.217 2.138 -2.124 1.00 93.74 C +ATOM 42 O GLY A 7 -1.820 2.614 -3.183 1.00 93.81 O +ATOM 43 N PRO A 8 -3.314 2.581 -1.524 1.00 92.70 N +ATOM 44 CA PRO A 8 -4.090 3.662 -2.112 1.00 92.35 C +ATOM 45 C PRO A 8 -3.360 4.996 -2.014 1.00 92.52 C +ATOM 46 O PRO A 8 -2.513 5.198 -1.152 1.00 90.45 O +ATOM 47 CB PRO A 8 -5.379 3.652 -1.305 1.00 90.03 C +ATOM 48 CG PRO A 8 -4.950 3.138 0.020 1.00 88.35 C +ATOM 49 CD PRO A 8 -3.918 2.079 -0.304 1.00 90.82 C +HETATM 50 N HYP A 9 -3.702 5.933 -2.887 1.00 90.79 N +HETATM 51 CA HYP A 9 -3.137 7.229 -2.859 1.00 91.15 C +HETATM 52 C HYP A 9 -3.552 8.006 -1.611 1.00 90.48 C +HETATM 53 O HYP A 9 -4.612 7.741 -1.038 1.00 91.36 O +HETATM 54 CB HYP A 9 -3.780 7.929 -4.087 1.00 86.71 C +HETATM 55 CG HYP A 9 -4.205 6.835 -4.986 1.00 86.37 C +HETATM 56 CD HYP A 9 -4.566 5.712 -4.074 1.00 90.11 C +HETATM 57 OD1 HYP A 9 -3.100 6.433 -5.764 1.00 86.85 O +ATOM 58 N GLY A 10 -2.767 8.921 -1.196 1.00 91.35 N +ATOM 59 CA GLY A 10 -3.168 9.834 -0.157 1.00 88.99 C +ATOM 60 C GLY A 10 -4.151 10.810 -0.768 1.00 89.84 C +ATOM 61 O GLY A 10 -4.619 10.617 -1.895 1.00 88.28 O +ATOM 62 N GLN A 11 -4.471 11.877 -0.057 1.00 91.02 N +ATOM 63 CA GLN A 11 -5.410 12.849 -0.610 1.00 91.92 C +ATOM 64 C GLN A 11 -4.979 13.302 -2.000 1.00 91.81 C +ATOM 65 O GLN A 11 -5.784 13.313 -2.930 1.00 88.65 O +ATOM 66 CB GLN A 11 -5.531 14.052 0.328 1.00 89.73 C +ATOM 67 CG GLN A 11 -6.265 13.715 1.623 1.00 85.03 C +ATOM 68 CD GLN A 11 -7.705 13.309 1.374 1.00 78.57 C +ATOM 69 OE1 GLN A 11 -8.417 13.942 0.600 1.00 74.25 O +ATOM 70 NE2 GLN A 11 -8.145 12.246 2.030 1.00 72.23 N +ATOM 71 N ASN A 12 -3.702 13.648 -2.144 1.00 94.28 N +ATOM 72 CA ASN A 12 -3.128 14.016 -3.439 1.00 95.08 C +ATOM 73 C ASN A 12 -1.748 13.387 -3.542 1.00 95.32 C +ATOM 74 O ASN A 12 -0.880 13.884 -4.257 1.00 92.47 O +ATOM 75 CB ASN A 12 -3.006 15.546 -3.572 1.00 93.39 C +ATOM 76 CG ASN A 12 -4.358 16.229 -3.644 1.00 88.47 C +ATOM 77 OD1 ASN A 12 -5.209 15.871 -4.458 1.00 85.88 O +ATOM 78 ND2 ASN A 12 -4.556 17.231 -2.812 1.00 81.68 N +ATOM 79 N GLY A 13 -1.555 12.324 -2.820 1.00 94.21 N +ATOM 80 CA GLY A 13 -0.251 11.707 -2.723 1.00 93.51 C +ATOM 81 C GLY A 13 -0.075 10.451 -3.551 1.00 94.23 C +ATOM 82 O GLY A 13 -1.002 9.987 -4.211 1.00 93.76 O +ATOM 83 N PRO A 14 1.127 9.912 -3.522 1.00 94.40 N +ATOM 84 CA PRO A 14 1.446 8.718 -4.289 1.00 93.96 C +ATOM 85 C PRO A 14 0.839 7.476 -3.670 1.00 94.01 C +ATOM 86 O PRO A 14 0.423 7.474 -2.519 1.00 93.11 O +ATOM 87 CB PRO A 14 2.972 8.682 -4.255 1.00 92.28 C +ATOM 88 CG PRO A 14 3.289 9.270 -2.922 1.00 91.29 C +ATOM 89 CD PRO A 14 2.289 10.391 -2.773 1.00 92.59 C +HETATM 90 N HYP A 15 0.799 6.456 -4.458 1.00 92.47 N +HETATM 91 CA HYP A 15 0.371 5.164 -3.959 1.00 93.27 C +HETATM 92 C HYP A 15 1.274 4.675 -2.871 1.00 93.88 C +HETATM 93 O HYP A 15 2.470 5.041 -2.828 1.00 93.76 O +HETATM 94 CB HYP A 15 0.510 4.324 -5.242 1.00 89.34 C +HETATM 95 CG HYP A 15 0.342 5.304 -6.396 1.00 88.30 C +HETATM 96 CD HYP A 15 1.036 6.535 -5.882 1.00 92.39 C +HETATM 97 OD1 HYP A 15 -1.019 5.555 -6.607 1.00 90.55 O +ATOM 98 N GLY A 16 0.747 3.897 -1.996 1.00 94.34 N +ATOM 99 CA GLY A 16 1.545 3.312 -0.959 1.00 93.87 C +ATOM 100 C GLY A 16 2.467 2.266 -1.550 1.00 94.51 C +ATOM 101 O GLY A 16 2.393 1.961 -2.745 1.00 94.30 O +ATOM 102 N PRO A 17 3.344 1.715 -0.722 1.00 93.33 N +ATOM 103 CA PRO A 17 4.271 0.704 -1.209 1.00 92.75 C +ATOM 104 C PRO A 17 3.559 -0.600 -1.540 1.00 93.42 C +ATOM 105 O PRO A 17 2.437 -0.834 -1.098 1.00 92.48 O +ATOM 106 CB PRO A 17 5.264 0.553 -0.058 1.00 91.12 C +ATOM 107 CG PRO A 17 4.455 0.910 1.139 1.00 89.82 C +ATOM 108 CD PRO A 17 3.564 2.027 0.680 1.00 91.52 C +HETATM 109 N HYP A 18 4.215 -1.444 -2.347 1.00 90.47 N +HETATM 110 CA HYP A 18 3.664 -2.736 -2.615 1.00 90.55 C +HETATM 111 C HYP A 18 3.435 -3.539 -1.379 1.00 89.46 C +HETATM 112 O HYP A 18 4.173 -3.389 -0.382 1.00 93.11 O +HETATM 113 CB HYP A 18 4.773 -3.380 -3.489 1.00 88.90 C +HETATM 114 CG HYP A 18 5.435 -2.217 -4.183 1.00 87.76 C +HETATM 115 CD HYP A 18 5.431 -1.165 -3.088 1.00 91.42 C +HETATM 116 OD1 HYP A 18 4.634 -1.801 -5.264 1.00 89.86 O +ATOM 117 N GLY A 19 2.433 -4.347 -1.395 1.00 90.33 N +ATOM 118 CA GLY A 19 2.130 -5.191 -0.279 1.00 90.18 C +ATOM 119 C GLY A 19 3.194 -6.250 -0.108 1.00 91.00 C +ATOM 120 O GLY A 19 4.083 -6.393 -0.947 1.00 91.34 O +ATOM 121 N PRO A 20 3.110 -7.005 0.972 1.00 86.83 N +ATOM 122 CA PRO A 20 4.089 -8.056 1.217 1.00 87.06 C +ATOM 123 C PRO A 20 3.928 -9.207 0.241 1.00 86.91 C +ATOM 124 O PRO A 20 2.882 -9.351 -0.395 1.00 86.87 O +ATOM 125 CB PRO A 20 3.793 -8.473 2.650 1.00 84.70 C +ATOM 126 CG PRO A 20 2.329 -8.215 2.785 1.00 82.10 C +ATOM 127 CD PRO A 20 2.114 -6.936 2.019 1.00 83.91 C +HETATM 128 N HYP A 21 4.971 -10.007 0.112 1.00 87.95 N +HETATM 129 CA HYP A 21 4.879 -11.184 -0.709 1.00 89.56 C +HETATM 130 C HYP A 21 3.743 -12.107 -0.301 1.00 87.87 C +HETATM 131 O HYP A 21 3.471 -12.188 0.894 1.00 92.22 O +HETATM 132 CB HYP A 21 6.220 -11.853 -0.573 1.00 86.42 C +HETATM 133 CG HYP A 21 7.157 -10.750 -0.209 1.00 82.77 C +HETATM 134 CD HYP A 21 6.309 -9.838 0.665 1.00 88.55 C +HETATM 135 OD1 HYP A 21 7.540 -10.045 -1.383 1.00 86.55 O +ATOM 136 N GLY A 22 3.082 -12.677 -1.245 1.00 88.00 N +ATOM 137 CA GLY A 22 2.011 -13.574 -0.961 1.00 85.09 C +ATOM 138 C GLY A 22 2.564 -14.862 -0.370 1.00 85.42 C +ATOM 139 O GLY A 22 3.780 -15.050 -0.309 1.00 85.89 O +ATOM 140 N PRO A 23 1.693 -15.773 0.043 1.00 90.91 N +ATOM 141 CA PRO A 23 2.152 -17.044 0.587 1.00 90.69 C +ATOM 142 C PRO A 23 2.892 -17.821 -0.490 1.00 89.52 C +ATOM 143 O PRO A 23 2.289 -18.186 -1.499 1.00 86.38 O +ATOM 144 CB PRO A 23 0.862 -17.753 0.990 1.00 87.56 C +ATOM 145 CG PRO A 23 -0.126 -16.652 1.129 1.00 85.76 C +ATOM 146 CD PRO A 23 0.254 -15.661 0.074 1.00 88.84 C +HETATM 147 N HYP A 24 4.093 -17.991 -0.465 1.00 92.16 N +HETATM 148 CA HYP A 24 4.956 -18.406 -1.632 1.00 88.73 C +HETATM 149 C HYP A 24 4.954 -17.755 -2.816 1.00 91.99 C +HETATM 150 O HYP A 24 5.968 -17.206 -3.428 1.00 90.14 O +HETATM 151 CB HYP A 24 6.036 -19.136 -0.981 1.00 86.06 C +HETATM 152 CG HYP A 24 5.387 -19.723 0.294 1.00 84.48 C +HETATM 153 CD HYP A 24 4.287 -18.709 0.676 1.00 90.88 C +HETATM 154 OD1 HYP A 24 6.315 -19.811 1.344 1.00 85.79 O +HETATM 155 OXT HYP A 24 4.039 -18.074 -3.691 1.00 85.10 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_441.txt b/protein_pdb_441.txt new file mode 100644 index 0000000000000000000000000000000000000000..563889606a9b5f786c7006550d252d3e098c8ce4 --- /dev/null +++ b/protein_pdb_441.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -5.204 14.488 -0.843 1.00 93.94 N +ATOM 2 CA GLY A 1 -4.637 13.721 0.223 1.00 94.34 C +ATOM 3 C GLY A 1 -3.345 13.040 -0.166 1.00 94.82 C +ATOM 4 O GLY A 1 -3.034 12.901 -1.341 1.00 93.44 O +ATOM 5 N PRO A 2 -2.598 12.544 0.808 1.00 94.03 N +ATOM 6 CA PRO A 2 -1.332 11.891 0.543 1.00 94.19 C +ATOM 7 C PRO A 2 -1.529 10.462 0.050 1.00 94.21 C +ATOM 8 O PRO A 2 -2.607 9.895 0.161 1.00 92.92 O +ATOM 9 CB PRO A 2 -0.653 11.918 1.906 1.00 91.78 C +ATOM 10 CG PRO A 2 -1.784 11.855 2.854 1.00 88.73 C +ATOM 11 CD PRO A 2 -2.870 12.681 2.232 1.00 91.48 C +HETATM 12 N HYP A 3 -0.468 9.927 -0.494 1.00 94.95 N +HETATM 13 CA HYP A 3 -0.491 8.512 -0.921 1.00 93.15 C +HETATM 14 C HYP A 3 -0.783 7.585 0.225 1.00 95.59 C +HETATM 15 O HYP A 3 -0.412 7.905 1.380 1.00 95.32 O +HETATM 16 CB HYP A 3 0.980 8.294 -1.387 1.00 93.43 C +HETATM 17 CG HYP A 3 1.455 9.653 -1.826 1.00 91.28 C +HETATM 18 CD HYP A 3 0.771 10.599 -0.806 1.00 93.45 C +HETATM 19 OD1 HYP A 3 0.958 9.900 -3.107 1.00 92.46 O +ATOM 20 N GLY A 4 -1.478 6.524 -0.073 1.00 94.30 N +ATOM 21 CA GLY A 4 -1.746 5.525 0.924 1.00 93.78 C +ATOM 22 C GLY A 4 -0.476 4.799 1.323 1.00 94.31 C +ATOM 23 O GLY A 4 0.565 4.926 0.683 1.00 94.33 O +ATOM 24 N PRO A 5 -0.552 4.030 2.398 1.00 93.90 N +ATOM 25 CA PRO A 5 0.618 3.290 2.858 1.00 93.86 C +ATOM 26 C PRO A 5 0.940 2.127 1.935 1.00 93.84 C +ATOM 27 O PRO A 5 0.103 1.691 1.154 1.00 92.92 O +ATOM 28 CB PRO A 5 0.199 2.805 4.240 1.00 92.16 C +ATOM 29 CG PRO A 5 -1.272 2.651 4.117 1.00 90.18 C +ATOM 30 CD PRO A 5 -1.721 3.778 3.229 1.00 92.87 C +HETATM 31 N HYP A 6 2.167 1.665 2.053 1.00 95.26 N +HETATM 32 CA HYP A 6 2.537 0.478 1.311 1.00 95.76 C +HETATM 33 C HYP A 6 1.677 -0.700 1.668 1.00 95.79 C +HETATM 34 O HYP A 6 1.188 -0.791 2.817 1.00 95.19 O +HETATM 35 CB HYP A 6 4.004 0.242 1.783 1.00 92.72 C +HETATM 36 CG HYP A 6 4.489 1.598 2.184 1.00 92.71 C +HETATM 37 CD HYP A 6 3.246 2.221 2.829 1.00 93.37 C +HETATM 38 OD1 HYP A 6 4.831 2.334 1.036 1.00 92.01 O +ATOM 39 N GLY A 7 1.423 -1.529 0.714 1.00 95.20 N +ATOM 40 CA GLY A 7 0.677 -2.729 0.952 1.00 94.76 C +ATOM 41 C GLY A 7 1.439 -3.681 1.849 1.00 95.42 C +ATOM 42 O GLY A 7 2.619 -3.486 2.125 1.00 95.28 O +ATOM 43 N PRO A 8 0.772 -4.714 2.307 1.00 95.10 N +ATOM 44 CA PRO A 8 1.436 -5.687 3.160 1.00 94.86 C +ATOM 45 C PRO A 8 2.403 -6.541 2.368 1.00 95.03 C +ATOM 46 O PRO A 8 2.360 -6.592 1.145 1.00 93.70 O +ATOM 47 CB PRO A 8 0.279 -6.516 3.710 1.00 93.17 C +ATOM 48 CG PRO A 8 -0.738 -6.441 2.632 1.00 91.91 C +ATOM 49 CD PRO A 8 -0.616 -5.052 2.059 1.00 94.09 C +HETATM 50 N HYP A 9 3.292 -7.213 3.088 1.00 95.15 N +HETATM 51 CA HYP A 9 4.186 -8.106 2.446 1.00 94.99 C +HETATM 52 C HYP A 9 3.488 -9.187 1.699 1.00 95.55 C +HETATM 53 O HYP A 9 2.462 -9.685 2.136 1.00 94.60 O +HETATM 54 CB HYP A 9 4.993 -8.737 3.628 1.00 91.97 C +HETATM 55 CG HYP A 9 4.921 -7.733 4.692 1.00 92.21 C +HETATM 56 CD HYP A 9 3.563 -7.092 4.540 1.00 92.95 C +HETATM 57 OD1 HYP A 9 5.907 -6.753 4.463 1.00 90.67 O +ATOM 58 N GLY A 10 3.950 -9.537 0.522 1.00 94.00 N +ATOM 59 CA GLY A 10 3.481 -10.708 -0.169 1.00 92.89 C +ATOM 60 C GLY A 10 3.906 -11.946 0.595 1.00 93.31 C +ATOM 61 O GLY A 10 4.651 -11.877 1.577 1.00 91.93 O +ATOM 62 N TYR A 11 3.437 -13.098 0.143 1.00 94.29 N +ATOM 63 CA TYR A 11 3.789 -14.332 0.840 1.00 94.30 C +ATOM 64 C TYR A 11 5.303 -14.477 0.959 1.00 94.36 C +ATOM 65 O TYR A 11 5.813 -14.822 2.025 1.00 93.22 O +ATOM 66 CB TYR A 11 3.189 -15.526 0.108 1.00 93.49 C +ATOM 67 CG TYR A 11 3.560 -16.842 0.745 1.00 88.91 C +ATOM 68 CD1 TYR A 11 3.116 -17.155 2.018 1.00 87.59 C +ATOM 69 CD2 TYR A 11 4.379 -17.756 0.092 1.00 86.25 C +ATOM 70 CE1 TYR A 11 3.475 -18.352 2.629 1.00 84.76 C +ATOM 71 CE2 TYR A 11 4.743 -18.958 0.688 1.00 84.97 C +ATOM 72 CZ TYR A 11 4.285 -19.242 1.955 1.00 85.09 C +ATOM 73 OH TYR A 11 4.650 -20.430 2.557 1.00 85.53 O +ATOM 74 N CYS A 12 6.010 -14.200 -0.132 1.00 93.10 N +ATOM 75 CA CYS A 12 7.470 -14.258 -0.146 1.00 94.09 C +ATOM 76 C CYS A 12 8.074 -12.977 -0.685 1.00 94.42 C +ATOM 77 O CYS A 12 9.250 -12.957 -1.050 1.00 91.94 O +ATOM 78 CB CYS A 12 7.950 -15.429 -1.011 1.00 91.64 C +ATOM 79 SG CYS A 12 7.472 -17.044 -0.379 1.00 86.45 S +ATOM 80 N GLY A 13 7.300 -11.920 -0.756 1.00 95.09 N +ATOM 81 CA GLY A 13 7.730 -10.725 -1.446 1.00 94.54 C +ATOM 82 C GLY A 13 7.659 -9.467 -0.620 1.00 95.24 C +ATOM 83 O GLY A 13 7.252 -9.484 0.543 1.00 95.16 O +ATOM 84 N PRO A 14 8.061 -8.374 -1.217 1.00 95.02 N +ATOM 85 CA PRO A 14 8.089 -7.085 -0.543 1.00 94.75 C +ATOM 86 C PRO A 14 6.695 -6.520 -0.359 1.00 95.02 C +ATOM 87 O PRO A 14 5.719 -7.032 -0.904 1.00 93.85 O +ATOM 88 CB PRO A 14 8.918 -6.219 -1.477 1.00 93.50 C +ATOM 89 CG PRO A 14 8.615 -6.777 -2.822 1.00 92.02 C +ATOM 90 CD PRO A 14 8.499 -8.259 -2.614 1.00 93.46 C +HETATM 91 N HYP A 15 6.651 -5.461 0.387 1.00 95.55 N +HETATM 92 CA HYP A 15 5.407 -4.753 0.528 1.00 95.85 C +HETATM 93 C HYP A 15 4.851 -4.298 -0.769 1.00 96.67 C +HETATM 94 O HYP A 15 5.636 -4.019 -1.699 1.00 95.41 O +HETATM 95 CB HYP A 15 5.818 -3.572 1.423 1.00 93.86 C +HETATM 96 CG HYP A 15 6.964 -4.110 2.233 1.00 92.66 C +HETATM 97 CD HYP A 15 7.705 -4.972 1.234 1.00 94.14 C +HETATM 98 OD1 HYP A 15 6.481 -4.884 3.292 1.00 92.41 O +ATOM 99 N GLY A 16 3.562 -4.261 -0.861 1.00 96.12 N +ATOM 100 CA GLY A 16 2.927 -3.754 -2.041 1.00 95.85 C +ATOM 101 C GLY A 16 3.189 -2.270 -2.213 1.00 96.24 C +ATOM 102 O GLY A 16 3.747 -1.619 -1.330 1.00 95.98 O +ATOM 103 N PRO A 17 2.784 -1.739 -3.359 1.00 94.03 N +ATOM 104 CA PRO A 17 3.012 -0.322 -3.626 1.00 93.68 C +ATOM 105 C PRO A 17 2.128 0.557 -2.767 1.00 94.23 C +ATOM 106 O PRO A 17 1.121 0.115 -2.226 1.00 92.99 O +ATOM 107 CB PRO A 17 2.666 -0.196 -5.105 1.00 92.20 C +ATOM 108 CG PRO A 17 1.667 -1.266 -5.332 1.00 90.17 C +ATOM 109 CD PRO A 17 2.096 -2.404 -4.460 1.00 92.19 C +HETATM 110 N HYP A 18 2.531 1.803 -2.655 1.00 93.48 N +HETATM 111 CA HYP A 18 1.728 2.755 -1.968 1.00 93.09 C +HETATM 112 C HYP A 18 0.372 2.931 -2.618 1.00 94.79 C +HETATM 113 O HYP A 18 0.232 2.731 -3.837 1.00 93.60 O +HETATM 114 CB HYP A 18 2.530 4.070 -2.157 1.00 92.00 C +HETATM 115 CG HYP A 18 3.945 3.627 -2.349 1.00 88.63 C +HETATM 116 CD HYP A 18 3.775 2.341 -3.157 1.00 92.32 C +HETATM 117 OD1 HYP A 18 4.522 3.318 -1.090 1.00 89.83 O +ATOM 118 N GLY A 19 -0.600 3.215 -1.831 1.00 92.83 N +ATOM 119 CA GLY A 19 -1.898 3.507 -2.363 1.00 92.29 C +ATOM 120 C GLY A 19 -1.886 4.809 -3.134 1.00 92.60 C +ATOM 121 O GLY A 19 -0.933 5.579 -3.070 1.00 92.85 O +ATOM 122 N PRO A 20 -2.951 5.056 -3.880 1.00 90.62 N +ATOM 123 CA PRO A 20 -3.031 6.279 -4.656 1.00 89.89 C +ATOM 124 C PRO A 20 -3.256 7.488 -3.772 1.00 90.00 C +ATOM 125 O PRO A 20 -3.667 7.361 -2.621 1.00 89.81 O +ATOM 126 CB PRO A 20 -4.228 6.032 -5.571 1.00 87.30 C +ATOM 127 CG PRO A 20 -5.085 5.117 -4.768 1.00 84.31 C +ATOM 128 CD PRO A 20 -4.133 4.231 -4.022 1.00 87.31 C +HETATM 129 N HYP A 21 -2.954 8.669 -4.330 1.00 93.15 N +HETATM 130 CA HYP A 21 -3.237 9.864 -3.609 1.00 92.39 C +HETATM 131 C HYP A 21 -4.703 10.030 -3.300 1.00 93.28 C +HETATM 132 O HYP A 21 -5.540 9.606 -4.088 1.00 93.37 O +HETATM 133 CB HYP A 21 -2.809 10.987 -4.593 1.00 90.64 C +HETATM 134 CG HYP A 21 -1.770 10.356 -5.457 1.00 88.60 C +HETATM 135 CD HYP A 21 -2.240 8.923 -5.595 1.00 91.97 C +HETATM 136 OD1 HYP A 21 -0.534 10.374 -4.755 1.00 89.21 O +ATOM 137 N GLY A 22 -5.003 10.518 -2.148 1.00 92.24 N +ATOM 138 CA GLY A 22 -6.360 10.827 -1.818 1.00 90.16 C +ATOM 139 C GLY A 22 -6.810 12.072 -2.566 1.00 90.40 C +ATOM 140 O GLY A 22 -6.014 12.734 -3.232 1.00 90.39 O +ATOM 141 N PRO A 23 -8.084 12.422 -2.453 1.00 93.44 N +ATOM 142 CA PRO A 23 -8.560 13.633 -3.108 1.00 93.27 C +ATOM 143 C PRO A 23 -7.933 14.847 -2.453 1.00 92.50 C +ATOM 144 O PRO A 23 -7.965 14.983 -1.239 1.00 89.41 O +ATOM 145 CB PRO A 23 -10.069 13.583 -2.891 1.00 90.46 C +ATOM 146 CG PRO A 23 -10.237 12.756 -1.675 1.00 87.85 C +ATOM 147 CD PRO A 23 -9.127 11.744 -1.705 1.00 91.68 C +HETATM 148 N HYP A 24 -7.360 15.662 -3.135 1.00 95.35 N +HETATM 149 CA HYP A 24 -6.387 16.648 -2.615 1.00 92.54 C +HETATM 150 C HYP A 24 -5.527 16.289 -1.576 1.00 94.87 C +HETATM 151 O HYP A 24 -4.230 16.404 -1.583 1.00 94.12 O +HETATM 152 CB HYP A 24 -6.690 17.915 -3.125 1.00 92.31 C +HETATM 153 CG HYP A 24 -7.990 17.749 -3.894 1.00 91.70 C +HETATM 154 CD HYP A 24 -8.353 16.255 -3.851 1.00 93.74 C +HETATM 155 OD1 HYP A 24 -7.789 18.078 -5.267 1.00 90.71 O +HETATM 156 OXT HYP A 24 -5.892 16.400 -0.312 1.00 90.03 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_442.txt b/protein_pdb_442.txt new file mode 100644 index 0000000000000000000000000000000000000000..ac42d3d178d68c38c13286fc872fc0ee5dcf6f58 --- /dev/null +++ b/protein_pdb_442.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 5.145 -15.355 -4.214 1.00 86.14 N +ATOM 2 CA GLY A 1 4.331 -14.556 -5.062 1.00 87.33 C +ATOM 3 C GLY A 1 4.828 -13.138 -5.242 1.00 88.33 C +ATOM 4 O GLY A 1 5.788 -12.721 -4.595 1.00 86.27 O +ATOM 5 N PRO A 2 4.190 -12.409 -6.091 1.00 85.24 N +ATOM 6 CA PRO A 2 4.583 -11.040 -6.375 1.00 86.88 C +ATOM 7 C PRO A 2 4.155 -10.085 -5.273 1.00 87.03 C +ATOM 8 O PRO A 2 3.364 -10.429 -4.404 1.00 83.87 O +ATOM 9 CB PRO A 2 3.861 -10.744 -7.683 1.00 83.03 C +ATOM 10 CG PRO A 2 2.634 -11.582 -7.594 1.00 79.21 C +ATOM 11 CD PRO A 2 3.058 -12.846 -6.897 1.00 81.13 C +HETATM 12 N HYP A 3 4.693 -8.890 -5.358 1.00 86.67 N +HETATM 13 CA HYP A 3 4.301 -7.870 -4.395 1.00 84.86 C +HETATM 14 C HYP A 3 2.820 -7.567 -4.477 1.00 88.98 C +HETATM 15 O HYP A 3 2.212 -7.715 -5.561 1.00 88.84 O +HETATM 16 CB HYP A 3 5.120 -6.639 -4.864 1.00 85.46 C +HETATM 17 CG HYP A 3 6.337 -7.240 -5.534 1.00 78.70 C +HETATM 18 CD HYP A 3 5.749 -8.490 -6.226 1.00 84.70 C +HETATM 19 OD1 HYP A 3 7.233 -7.648 -4.546 1.00 82.49 O +ATOM 20 N GLY A 4 2.258 -7.224 -3.373 1.00 89.00 N +ATOM 21 CA GLY A 4 0.868 -6.884 -3.326 1.00 88.65 C +ATOM 22 C GLY A 4 0.605 -5.563 -4.031 1.00 89.61 C +ATOM 23 O GLY A 4 1.528 -4.871 -4.446 1.00 89.00 O +ATOM 24 N PRO A 5 -0.659 -5.203 -4.175 1.00 87.84 N +ATOM 25 CA PRO A 5 -1.006 -3.957 -4.845 1.00 88.36 C +ATOM 26 C PRO A 5 -0.629 -2.744 -4.006 1.00 88.14 C +ATOM 27 O PRO A 5 -0.422 -2.843 -2.804 1.00 85.78 O +ATOM 28 CB PRO A 5 -2.517 -4.062 -5.023 1.00 86.09 C +ATOM 29 CG PRO A 5 -2.946 -4.935 -3.898 1.00 84.36 C +ATOM 30 CD PRO A 5 -1.837 -5.936 -3.727 1.00 86.44 C +HETATM 31 N HYP A 6 -0.508 -1.596 -4.666 1.00 88.38 N +HETATM 32 CA HYP A 6 -0.277 -0.352 -3.966 1.00 90.88 C +HETATM 33 C HYP A 6 -1.337 -0.049 -2.946 1.00 88.77 C +HETATM 34 O HYP A 6 -2.510 -0.458 -3.109 1.00 87.88 O +HETATM 35 CB HYP A 6 -0.337 0.687 -5.112 1.00 83.92 C +HETATM 36 CG HYP A 6 0.108 -0.087 -6.324 1.00 83.50 C +HETATM 37 CD HYP A 6 -0.537 -1.447 -6.093 1.00 86.55 C +HETATM 38 OD1 HYP A 6 1.505 -0.214 -6.306 1.00 83.65 O +ATOM 39 N GLY A 7 -0.955 0.553 -1.886 1.00 87.92 N +ATOM 40 CA GLY A 7 -1.882 0.937 -0.858 1.00 86.75 C +ATOM 41 C GLY A 7 -2.848 1.986 -1.378 1.00 87.90 C +ATOM 42 O GLY A 7 -2.682 2.527 -2.469 1.00 86.94 O +ATOM 43 N PRO A 8 -3.867 2.283 -0.601 1.00 84.34 N +ATOM 44 CA PRO A 8 -4.844 3.273 -1.031 1.00 84.75 C +ATOM 45 C PRO A 8 -4.253 4.677 -1.038 1.00 84.92 C +ATOM 46 O PRO A 8 -3.315 4.980 -0.312 1.00 80.43 O +ATOM 47 CB PRO A 8 -5.961 3.138 0.004 1.00 81.29 C +ATOM 48 CG PRO A 8 -5.273 2.627 1.212 1.00 80.56 C +ATOM 49 CD PRO A 8 -4.190 1.717 0.701 1.00 82.55 C +HETATM 50 N HYP A 9 -4.831 5.547 -1.857 1.00 84.57 N +HETATM 51 CA HYP A 9 -4.411 6.896 -1.941 1.00 81.77 C +HETATM 52 C HYP A 9 -4.729 7.631 -0.657 1.00 86.08 C +HETATM 53 O HYP A 9 -5.704 7.352 0.033 1.00 84.19 O +HETATM 54 CB HYP A 9 -5.321 7.496 -3.035 1.00 78.39 C +HETATM 55 CG HYP A 9 -5.787 6.341 -3.826 1.00 77.26 C +HETATM 56 CD HYP A 9 -5.854 5.218 -2.862 1.00 83.28 C +HETATM 57 OD1 HYP A 9 -4.811 6.046 -4.796 1.00 76.98 O +ATOM 58 N GLY A 10 -3.911 8.554 -0.295 1.00 83.41 N +ATOM 59 CA GLY A 10 -4.236 9.447 0.788 1.00 80.35 C +ATOM 60 C GLY A 10 -5.273 10.442 0.303 1.00 80.44 C +ATOM 61 O GLY A 10 -5.626 10.467 -0.880 1.00 77.89 O +ATOM 62 N SER A 11 -5.745 11.271 1.195 1.00 83.09 N +ATOM 63 CA SER A 11 -6.731 12.267 0.794 1.00 86.27 C +ATOM 64 C SER A 11 -6.166 13.194 -0.283 1.00 87.07 C +ATOM 65 O SER A 11 -6.877 13.577 -1.217 1.00 84.57 O +ATOM 66 CB SER A 11 -7.181 13.081 2.009 1.00 81.66 C +ATOM 67 OG SER A 11 -6.074 13.613 2.698 1.00 75.83 O +ATOM 68 N ASP A 12 -4.892 13.518 -0.165 1.00 79.70 N +ATOM 69 CA ASP A 12 -4.194 14.368 -1.127 1.00 81.07 C +ATOM 70 C ASP A 12 -2.838 13.760 -1.461 1.00 81.19 C +ATOM 71 O ASP A 12 -1.861 14.475 -1.671 1.00 75.58 O +ATOM 72 CB ASP A 12 -4.004 15.786 -0.559 1.00 77.79 C +ATOM 73 CG ASP A 12 -5.293 16.576 -0.522 1.00 71.99 C +ATOM 74 OD1 ASP A 12 -6.117 16.319 0.372 1.00 70.67 O +ATOM 75 OD2 ASP A 12 -5.469 17.470 -1.382 1.00 67.76 O +ATOM 76 N GLY A 13 -2.756 12.459 -1.496 1.00 87.37 N +ATOM 77 CA GLY A 13 -1.479 11.801 -1.659 1.00 85.34 C +ATOM 78 C GLY A 13 -1.492 10.620 -2.603 1.00 86.41 C +ATOM 79 O GLY A 13 -2.551 10.160 -3.040 1.00 85.42 O +ATOM 80 N PRO A 14 -0.315 10.132 -2.927 1.00 87.21 N +ATOM 81 CA PRO A 14 -0.169 9.001 -3.835 1.00 87.08 C +ATOM 82 C PRO A 14 -0.538 7.692 -3.163 1.00 87.71 C +ATOM 83 O PRO A 14 -0.680 7.612 -1.949 1.00 84.99 O +ATOM 84 CB PRO A 14 1.314 9.039 -4.201 1.00 84.43 C +ATOM 85 CG PRO A 14 1.964 9.573 -2.971 1.00 83.80 C +ATOM 86 CD PRO A 14 0.995 10.601 -2.446 1.00 84.74 C +HETATM 87 N HYP A 15 -0.656 6.697 -3.982 1.00 88.26 N +HETATM 88 CA HYP A 15 -0.892 5.360 -3.486 1.00 87.28 C +HETATM 89 C HYP A 15 0.254 4.917 -2.609 1.00 90.28 C +HETATM 90 O HYP A 15 1.402 5.373 -2.777 1.00 88.29 O +HETATM 91 CB HYP A 15 -0.891 4.560 -4.797 1.00 84.36 C +HETATM 92 CG HYP A 15 -1.337 5.549 -5.857 1.00 82.58 C +HETATM 93 CD HYP A 15 -0.657 6.821 -5.427 1.00 86.91 C +HETATM 94 OD1 HYP A 15 -2.719 5.708 -5.818 1.00 83.42 O +ATOM 95 N GLY A 16 -0.045 4.090 -1.674 1.00 90.51 N +ATOM 96 CA GLY A 16 0.983 3.543 -0.837 1.00 89.95 C +ATOM 97 C GLY A 16 1.865 2.588 -1.616 1.00 90.63 C +ATOM 98 O GLY A 16 1.589 2.281 -2.780 1.00 89.69 O +ATOM 99 N PRO A 17 2.933 2.126 -0.992 1.00 85.30 N +ATOM 100 CA PRO A 17 3.838 1.203 -1.663 1.00 85.58 C +ATOM 101 C PRO A 17 3.197 -0.159 -1.864 1.00 86.42 C +ATOM 102 O PRO A 17 2.210 -0.494 -1.214 1.00 83.94 O +ATOM 103 CB PRO A 17 5.037 1.136 -0.725 1.00 83.28 C +ATOM 104 CG PRO A 17 4.465 1.435 0.610 1.00 82.04 C +ATOM 105 CD PRO A 17 3.375 2.436 0.367 1.00 82.78 C +HETATM 106 N HYP A 18 3.765 -0.943 -2.793 1.00 80.29 N +HETATM 107 CA HYP A 18 3.299 -2.283 -2.962 1.00 84.48 C +HETATM 108 C HYP A 18 3.409 -3.109 -1.728 1.00 85.95 C +HETATM 109 O HYP A 18 4.318 -2.891 -0.898 1.00 84.42 O +HETATM 110 CB HYP A 18 4.274 -2.799 -4.053 1.00 81.10 C +HETATM 111 CG HYP A 18 4.645 -1.579 -4.842 1.00 77.55 C +HETATM 112 CD HYP A 18 4.757 -0.530 -3.748 1.00 83.01 C +HETATM 113 OD1 HYP A 18 3.595 -1.249 -5.720 1.00 79.97 O +ATOM 114 N GLY A 19 2.495 -3.997 -1.553 1.00 81.40 N +ATOM 115 CA GLY A 19 2.511 -4.883 -0.423 1.00 81.29 C +ATOM 116 C GLY A 19 3.686 -5.835 -0.500 1.00 81.81 C +ATOM 117 O GLY A 19 4.412 -5.869 -1.494 1.00 81.83 O +ATOM 118 N PRO A 20 3.889 -6.611 0.544 1.00 76.91 N +ATOM 119 CA PRO A 20 4.996 -7.550 0.563 1.00 78.75 C +ATOM 120 C PRO A 20 4.773 -8.690 -0.423 1.00 78.41 C +ATOM 121 O PRO A 20 3.649 -8.943 -0.848 1.00 77.16 O +ATOM 122 CB PRO A 20 5.008 -8.045 2.002 1.00 75.64 C +ATOM 123 CG PRO A 20 3.594 -7.904 2.440 1.00 71.32 C +ATOM 124 CD PRO A 20 3.092 -6.666 1.760 1.00 71.67 C +HETATM 125 N HYP A 21 5.858 -9.356 -0.781 1.00 82.16 N +HETATM 126 CA HYP A 21 5.746 -10.508 -1.634 1.00 80.88 C +HETATM 127 C HYP A 21 4.851 -11.583 -1.053 1.00 81.76 C +HETATM 128 O HYP A 21 4.817 -11.753 0.168 1.00 85.43 O +HETATM 129 CB HYP A 21 7.160 -11.014 -1.798 1.00 78.81 C +HETATM 130 CG HYP A 21 8.025 -9.812 -1.573 1.00 73.78 C +HETATM 131 CD HYP A 21 7.272 -9.038 -0.497 1.00 82.37 C +HETATM 132 OD1 HYP A 21 8.043 -9.037 -2.767 1.00 76.65 O +ATOM 133 N GLY A 22 4.102 -12.196 -1.903 1.00 78.61 N +ATOM 134 CA GLY A 22 3.261 -13.270 -1.484 1.00 75.96 C +ATOM 135 C GLY A 22 4.110 -14.472 -1.099 1.00 75.64 C +ATOM 136 O GLY A 22 5.321 -14.478 -1.300 1.00 75.23 O +ATOM 137 N PRO A 23 3.489 -15.527 -0.572 1.00 85.61 N +ATOM 138 CA PRO A 23 4.241 -16.718 -0.208 1.00 87.16 C +ATOM 139 C PRO A 23 4.714 -17.438 -1.465 1.00 86.03 C +ATOM 140 O PRO A 23 3.909 -18.005 -2.195 1.00 82.03 O +ATOM 141 CB PRO A 23 3.241 -17.537 0.604 1.00 82.33 C +ATOM 142 CG PRO A 23 1.914 -17.056 0.167 1.00 77.40 C +ATOM 143 CD PRO A 23 2.081 -15.627 -0.261 1.00 80.52 C +HETATM 144 N HYP A 24 5.906 -17.297 -1.871 1.00 89.37 N +HETATM 145 CA HYP A 24 6.462 -17.411 -3.238 1.00 86.22 C +HETATM 146 C HYP A 24 6.034 -16.687 -4.306 1.00 87.99 C +HETATM 147 O HYP A 24 5.458 -17.265 -5.339 1.00 88.11 O +HETATM 148 CB HYP A 24 7.644 -18.296 -3.153 1.00 83.51 C +HETATM 149 CG HYP A 24 7.567 -18.953 -1.759 1.00 83.05 C +HETATM 150 CD HYP A 24 6.397 -18.253 -1.016 1.00 88.11 C +HETATM 151 OD1 HYP A 24 8.750 -18.677 -1.016 1.00 83.13 O +HETATM 152 OXT HYP A 24 6.967 -15.771 -4.806 1.00 82.02 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_443.txt b/protein_pdb_443.txt new file mode 100644 index 0000000000000000000000000000000000000000..df6f4853fcaed99216fd06e65119f3087dd94199 --- /dev/null +++ b/protein_pdb_443.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 -12.855 11.266 -0.304 1.00 80.73 N +ATOM 2 CA GLY A 1 -13.312 9.905 -0.487 1.00 81.24 C +ATOM 3 C GLY A 1 -12.691 8.993 0.540 1.00 80.44 C +ATOM 4 O GLY A 1 -11.974 9.438 1.430 1.00 78.12 O +ATOM 5 N PRO A 2 -12.908 7.644 0.436 1.00 82.53 N +ATOM 6 CA PRO A 2 -12.399 6.695 1.411 1.00 82.98 C +ATOM 7 C PRO A 2 -10.903 6.486 1.269 1.00 82.93 C +ATOM 8 O PRO A 2 -10.310 6.790 0.239 1.00 79.94 O +ATOM 9 CB PRO A 2 -13.168 5.420 1.093 1.00 79.15 C +ATOM 10 CG PRO A 2 -13.494 5.547 -0.349 1.00 75.23 C +ATOM 11 CD PRO A 2 -13.715 7.010 -0.590 1.00 75.32 C +HETATM 12 N HYP A 3 -10.342 5.979 2.292 1.00 77.66 N +HETATM 13 CA HYP A 3 -8.915 5.584 2.251 1.00 77.99 C +HETATM 14 C HYP A 3 -8.653 4.560 1.180 1.00 83.28 C +HETATM 15 O HYP A 3 -9.562 3.749 0.820 1.00 83.35 O +HETATM 16 CB HYP A 3 -8.792 4.887 3.655 1.00 77.08 C +HETATM 17 CG HYP A 3 -9.819 5.588 4.508 1.00 75.44 C +HETATM 18 CD HYP A 3 -11.002 5.794 3.553 1.00 80.97 C +HETATM 19 OD1 HYP A 3 -9.327 6.839 4.905 1.00 80.72 O +ATOM 20 N GLY A 4 -7.482 4.623 0.624 1.00 84.12 N +ATOM 21 CA GLY A 4 -7.091 3.660 -0.368 1.00 83.18 C +ATOM 22 C GLY A 4 -6.888 2.286 0.240 1.00 83.02 C +ATOM 23 O GLY A 4 -6.931 2.110 1.455 1.00 82.03 O +ATOM 24 N PRO A 5 -6.662 1.308 -0.620 1.00 86.41 N +ATOM 25 CA PRO A 5 -6.434 -0.040 -0.131 1.00 86.16 C +ATOM 26 C PRO A 5 -5.081 -0.155 0.546 1.00 86.31 C +ATOM 27 O PRO A 5 -4.216 0.695 0.383 1.00 83.89 O +ATOM 28 CB PRO A 5 -6.502 -0.884 -1.398 1.00 83.43 C +ATOM 29 CG PRO A 5 -6.062 0.048 -2.466 1.00 82.45 C +ATOM 30 CD PRO A 5 -6.581 1.398 -2.068 1.00 84.34 C +HETATM 31 N HYP A 6 -4.947 -1.209 1.291 1.00 83.26 N +HETATM 32 CA HYP A 6 -3.641 -1.492 1.902 1.00 84.09 C +HETATM 33 C HYP A 6 -2.560 -1.560 0.891 1.00 83.67 C +HETATM 34 O HYP A 6 -2.779 -2.018 -0.270 1.00 83.44 O +HETATM 35 CB HYP A 6 -3.959 -2.846 2.557 1.00 81.16 C +HETATM 36 CG HYP A 6 -5.467 -2.832 2.806 1.00 80.31 C +HETATM 37 CD HYP A 6 -6.005 -2.147 1.594 1.00 83.83 C +HETATM 38 OD1 HYP A 6 -5.762 -2.081 3.953 1.00 80.38 O +ATOM 39 N GLY A 7 -1.398 -1.066 1.239 1.00 84.82 N +ATOM 40 CA GLY A 7 -0.264 -1.092 0.363 1.00 83.19 C +ATOM 41 C GLY A 7 0.231 -2.506 0.127 1.00 83.64 C +ATOM 42 O GLY A 7 -0.229 -3.465 0.753 1.00 82.40 O +ATOM 43 N PRO A 8 1.181 -2.641 -0.778 1.00 84.10 N +ATOM 44 CA PRO A 8 1.714 -3.960 -1.069 1.00 84.29 C +ATOM 45 C PRO A 8 2.589 -4.470 0.055 1.00 84.81 C +ATOM 46 O PRO A 8 3.113 -3.700 0.853 1.00 83.34 O +ATOM 47 CB PRO A 8 2.510 -3.748 -2.348 1.00 81.25 C +ATOM 48 CG PRO A 8 2.921 -2.324 -2.273 1.00 80.35 C +ATOM 49 CD PRO A 8 1.801 -1.606 -1.584 1.00 81.39 C +HETATM 50 N HYP A 9 2.761 -5.801 0.068 1.00 78.45 N +HETATM 51 CA HYP A 9 3.612 -6.371 1.036 1.00 81.75 C +HETATM 52 C HYP A 9 5.050 -5.948 0.845 1.00 79.55 C +HETATM 53 O HYP A 9 5.485 -5.749 -0.295 1.00 80.45 O +HETATM 54 CB HYP A 9 3.591 -7.893 0.625 1.00 78.21 C +HETATM 55 CG HYP A 9 2.296 -8.074 -0.044 1.00 75.55 C +HETATM 56 CD HYP A 9 2.086 -6.792 -0.787 1.00 79.60 C +HETATM 57 OD1 HYP A 9 1.298 -8.233 0.945 1.00 73.79 O +ATOM 58 N GLY A 10 5.789 -5.774 1.894 1.00 81.66 N +ATOM 59 CA GLY A 10 7.208 -5.568 1.793 1.00 78.67 C +ATOM 60 C GLY A 10 7.914 -6.888 1.519 1.00 78.60 C +ATOM 61 O GLY A 10 7.286 -7.899 1.219 1.00 77.88 O +ATOM 62 N TRP A 11 9.221 -6.857 1.635 1.00 84.09 N +ATOM 63 CA TRP A 11 9.959 -8.105 1.465 1.00 83.95 C +ATOM 64 C TRP A 11 9.485 -9.140 2.483 1.00 81.54 C +ATOM 65 O TRP A 11 9.380 -10.324 2.164 1.00 80.33 O +ATOM 66 CB TRP A 11 11.453 -7.862 1.640 1.00 83.38 C +ATOM 67 CG TRP A 11 12.060 -6.997 0.578 1.00 78.46 C +ATOM 68 CD1 TRP A 11 11.577 -6.740 -0.662 1.00 79.71 C +ATOM 69 CD2 TRP A 11 13.303 -6.286 0.666 1.00 79.51 C +ATOM 70 NE1 TRP A 11 12.429 -5.924 -1.355 1.00 72.36 N +ATOM 71 CE2 TRP A 11 13.494 -5.629 -0.570 1.00 76.73 C +ATOM 72 CE3 TRP A 11 14.270 -6.148 1.665 1.00 72.98 C +ATOM 73 CZ2 TRP A 11 14.619 -4.841 -0.819 1.00 81.44 C +ATOM 74 CZ3 TRP A 11 15.390 -5.368 1.408 1.00 74.73 C +ATOM 75 CH2 TRP A 11 15.554 -4.727 0.192 1.00 73.88 C +ATOM 76 N VAL A 12 9.226 -8.678 3.674 1.00 75.82 N +ATOM 77 CA VAL A 12 8.652 -9.471 4.741 1.00 78.10 C +ATOM 78 C VAL A 12 7.595 -8.599 5.400 1.00 77.32 C +ATOM 79 O VAL A 12 7.873 -7.453 5.748 1.00 74.08 O +ATOM 80 CB VAL A 12 9.707 -9.885 5.787 1.00 74.48 C +ATOM 81 CG1 VAL A 12 9.056 -10.574 6.967 1.00 68.09 C +ATOM 82 CG2 VAL A 12 10.751 -10.796 5.157 1.00 69.72 C +ATOM 83 N GLY A 13 6.408 -9.140 5.569 1.00 80.19 N +ATOM 84 CA GLY A 13 5.402 -8.420 6.315 1.00 77.83 C +ATOM 85 C GLY A 13 4.119 -8.223 5.543 1.00 77.40 C +ATOM 86 O GLY A 13 4.033 -8.505 4.345 1.00 77.72 O +ATOM 87 N PRO A 14 3.116 -7.761 6.243 1.00 80.90 N +ATOM 88 CA PRO A 14 1.793 -7.598 5.676 1.00 81.27 C +ATOM 89 C PRO A 14 1.700 -6.383 4.773 1.00 81.12 C +ATOM 90 O PRO A 14 2.631 -5.592 4.664 1.00 78.71 O +ATOM 91 CB PRO A 14 0.913 -7.429 6.913 1.00 78.05 C +ATOM 92 CG PRO A 14 1.806 -6.740 7.874 1.00 77.18 C +ATOM 93 CD PRO A 14 3.172 -7.331 7.640 1.00 77.28 C +HETATM 94 N HYP A 15 0.569 -6.302 4.152 1.00 79.05 N +HETATM 95 CA HYP A 15 0.268 -5.104 3.387 1.00 80.88 C +HETATM 96 C HYP A 15 0.421 -3.866 4.191 1.00 82.89 C +HETATM 97 O HYP A 15 0.250 -3.906 5.442 1.00 82.78 O +HETATM 98 CB HYP A 15 -1.231 -5.387 3.034 1.00 77.17 C +HETATM 99 CG HYP A 15 -1.313 -6.879 2.986 1.00 77.71 C +HETATM 100 CD HYP A 15 -0.438 -7.319 4.138 1.00 82.70 C +HETATM 101 OD1 HYP A 15 -0.807 -7.340 1.780 1.00 78.08 O +ATOM 102 N GLY A 16 0.795 -2.820 3.538 1.00 83.14 N +ATOM 103 CA GLY A 16 0.939 -1.563 4.213 1.00 81.47 C +ATOM 104 C GLY A 16 -0.401 -1.005 4.643 1.00 82.34 C +ATOM 105 O GLY A 16 -1.452 -1.596 4.403 1.00 81.34 O +ATOM 106 N PRO A 17 -0.349 0.149 5.288 1.00 84.93 N +ATOM 107 CA PRO A 17 -1.584 0.779 5.740 1.00 84.97 C +ATOM 108 C PRO A 17 -2.396 1.296 4.565 1.00 85.41 C +ATOM 109 O PRO A 17 -1.908 1.421 3.447 1.00 83.08 O +ATOM 110 CB PRO A 17 -1.088 1.919 6.620 1.00 82.86 C +ATOM 111 CG PRO A 17 0.256 2.228 6.098 1.00 82.92 C +ATOM 112 CD PRO A 17 0.834 0.930 5.616 1.00 83.78 C +HETATM 113 N HYP A 18 -3.639 1.566 4.829 1.00 82.68 N +HETATM 114 CA HYP A 18 -4.491 2.153 3.854 1.00 86.37 C +HETATM 115 C HYP A 18 -3.940 3.393 3.270 1.00 85.77 C +HETATM 116 O HYP A 18 -3.241 4.168 3.981 1.00 86.38 O +HETATM 117 CB HYP A 18 -5.759 2.393 4.672 1.00 81.21 C +HETATM 118 CG HYP A 18 -5.726 1.325 5.748 1.00 81.08 C +HETATM 119 CD HYP A 18 -4.289 1.283 6.090 1.00 85.14 C +HETATM 120 OD1 HYP A 18 -6.141 0.095 5.201 1.00 82.52 O +ATOM 121 N GLY A 19 -4.151 3.586 2.019 1.00 85.33 N +ATOM 122 CA GLY A 19 -3.715 4.783 1.358 1.00 84.88 C +ATOM 123 C GLY A 19 -4.429 6.002 1.894 1.00 86.14 C +ATOM 124 O GLY A 19 -5.316 5.908 2.740 1.00 86.11 O +ATOM 125 N PRO A 20 -4.037 7.156 1.402 1.00 78.71 N +ATOM 126 CA PRO A 20 -4.646 8.383 1.884 1.00 79.57 C +ATOM 127 C PRO A 20 -6.084 8.509 1.417 1.00 79.31 C +ATOM 128 O PRO A 20 -6.495 7.898 0.436 1.00 77.93 O +ATOM 129 CB PRO A 20 -3.770 9.469 1.274 1.00 76.20 C +ATOM 130 CG PRO A 20 -3.220 8.844 0.050 1.00 74.91 C +ATOM 131 CD PRO A 20 -3.036 7.392 0.378 1.00 77.22 C +HETATM 132 N HYP A 21 -6.834 9.292 2.116 1.00 77.35 N +HETATM 133 CA HYP A 21 -8.170 9.594 1.717 1.00 81.87 C +HETATM 134 C HYP A 21 -8.278 10.265 0.371 1.00 80.68 C +HETATM 135 O HYP A 21 -7.341 11.002 0.005 1.00 81.41 O +HETATM 136 CB HYP A 21 -8.608 10.591 2.813 1.00 78.27 C +HETATM 137 CG HYP A 21 -7.759 10.246 4.008 1.00 75.93 C +HETATM 138 CD HYP A 21 -6.452 9.894 3.387 1.00 80.79 C +HETATM 139 OD1 HYP A 21 -8.271 9.077 4.644 1.00 81.54 O +ATOM 140 N GLY A 22 -9.209 9.900 -0.408 1.00 79.92 N +ATOM 141 CA GLY A 22 -9.448 10.562 -1.655 1.00 77.56 C +ATOM 142 C GLY A 22 -9.953 11.973 -1.426 1.00 76.53 C +ATOM 143 O GLY A 22 -10.049 12.433 -0.292 1.00 75.44 O +ATOM 144 N PRO A 23 -10.301 12.664 -2.489 1.00 78.82 N +ATOM 145 CA PRO A 23 -10.852 14.007 -2.342 1.00 80.16 C +ATOM 146 C PRO A 23 -12.142 13.968 -1.551 1.00 78.80 C +ATOM 147 O PRO A 23 -12.845 12.967 -1.538 1.00 75.62 O +ATOM 148 CB PRO A 23 -11.111 14.453 -3.779 1.00 75.09 C +ATOM 149 CG PRO A 23 -10.277 13.551 -4.611 1.00 71.47 C +ATOM 150 CD PRO A 23 -10.201 12.261 -3.882 1.00 74.00 C +HETATM 151 N HYP A 24 -12.503 15.035 -0.885 1.00 81.97 N +HETATM 152 CA HYP A 24 -13.716 14.941 -0.149 1.00 78.20 C +HETATM 153 C HYP A 24 -14.656 13.990 -0.685 1.00 78.87 C +HETATM 154 O HYP A 24 -15.304 14.355 -1.676 1.00 78.86 O +HETATM 155 CB HYP A 24 -14.127 16.301 0.261 1.00 78.35 C +HETATM 156 CG HYP A 24 -12.864 17.136 0.067 1.00 78.59 C +HETATM 157 CD HYP A 24 -12.029 16.391 -0.996 1.00 81.76 C +HETATM 158 OD1 HYP A 24 -12.098 17.151 1.281 1.00 80.20 O +HETATM 159 OXT HYP A 24 -14.748 12.906 -0.095 1.00 78.35 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_444.txt b/protein_pdb_444.txt new file mode 100644 index 0000000000000000000000000000000000000000..868cba408349564fd473c8879cbca107aaeef6fd --- /dev/null +++ b/protein_pdb_444.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 14.912 -2.815 -2.854 1.00 83.74 N +ATOM 2 CA GLY A 1 13.866 -2.491 -3.763 1.00 84.71 C +ATOM 3 C GLY A 1 13.035 -1.295 -3.365 1.00 86.00 C +ATOM 4 O GLY A 1 13.147 -0.788 -2.246 1.00 83.82 O +ATOM 5 N PRO A 2 12.198 -0.858 -4.257 1.00 83.24 N +ATOM 6 CA PRO A 2 11.354 0.294 -4.004 1.00 85.95 C +ATOM 7 C PRO A 2 10.186 -0.040 -3.104 1.00 85.83 C +ATOM 8 O PRO A 2 9.907 -1.204 -2.827 1.00 83.75 O +ATOM 9 CB PRO A 2 10.877 0.671 -5.408 1.00 82.32 C +ATOM 10 CG PRO A 2 10.841 -0.632 -6.121 1.00 77.62 C +ATOM 11 CD PRO A 2 12.008 -1.420 -5.587 1.00 79.44 C +HETATM 12 N HYP A 3 9.521 0.991 -2.684 1.00 85.25 N +HETATM 13 CA HYP A 3 8.315 0.800 -1.878 1.00 88.88 C +HETATM 14 C HYP A 3 7.272 -0.002 -2.631 1.00 88.38 C +HETATM 15 O HYP A 3 7.211 0.072 -3.882 1.00 90.90 O +HETATM 16 CB HYP A 3 7.839 2.243 -1.632 1.00 86.58 C +HETATM 17 CG HYP A 3 9.117 3.061 -1.716 1.00 81.05 C +HETATM 18 CD HYP A 3 9.884 2.351 -2.853 1.00 84.92 C +HETATM 19 OD1 HYP A 3 9.820 2.930 -0.528 1.00 87.54 O +ATOM 20 N GLY A 4 6.549 -0.790 -1.917 1.00 91.71 N +ATOM 21 CA GLY A 4 5.493 -1.551 -2.516 1.00 91.57 C +ATOM 22 C GLY A 4 4.373 -0.652 -2.996 1.00 92.30 C +ATOM 23 O GLY A 4 4.360 0.555 -2.735 1.00 92.14 O +ATOM 24 N PRO A 5 3.412 -1.226 -3.703 1.00 88.74 N +ATOM 25 CA PRO A 5 2.298 -0.436 -4.207 1.00 89.39 C +ATOM 26 C PRO A 5 1.372 -0.000 -3.089 1.00 89.50 C +ATOM 27 O PRO A 5 1.394 -0.547 -1.991 1.00 87.92 O +ATOM 28 CB PRO A 5 1.598 -1.399 -5.164 1.00 87.07 C +ATOM 29 CG PRO A 5 1.926 -2.741 -4.636 1.00 84.19 C +ATOM 30 CD PRO A 5 3.304 -2.636 -4.072 1.00 87.20 C +HETATM 31 N HYP A 6 0.577 1.020 -3.374 1.00 87.56 N +HETATM 32 CA HYP A 6 -0.435 1.459 -2.430 1.00 92.85 C +HETATM 33 C HYP A 6 -1.357 0.360 -2.025 1.00 89.95 C +HETATM 34 O HYP A 6 -1.643 -0.562 -2.842 1.00 91.44 O +HETATM 35 CB HYP A 6 -1.134 2.570 -3.181 1.00 86.43 C +HETATM 36 CG HYP A 6 -0.092 3.077 -4.146 1.00 85.34 C +HETATM 37 CD HYP A 6 0.591 1.823 -4.558 1.00 88.27 C +HETATM 38 OD1 HYP A 6 0.807 3.922 -3.486 1.00 89.52 O +ATOM 39 N GLY A 7 -1.746 0.342 -0.794 1.00 92.03 N +ATOM 40 CA GLY A 7 -2.655 -0.648 -0.299 1.00 91.15 C +ATOM 41 C GLY A 7 -4.018 -0.533 -0.959 1.00 91.54 C +ATOM 42 O GLY A 7 -4.292 0.409 -1.709 1.00 90.74 O +ATOM 43 N PRO A 8 -4.877 -1.495 -0.681 1.00 88.90 N +ATOM 44 CA PRO A 8 -6.199 -1.478 -1.289 1.00 88.75 C +ATOM 45 C PRO A 8 -7.043 -0.328 -0.762 1.00 88.02 C +ATOM 46 O PRO A 8 -6.880 0.131 0.359 1.00 85.68 O +ATOM 47 CB PRO A 8 -6.793 -2.830 -0.896 1.00 86.34 C +ATOM 48 CG PRO A 8 -6.057 -3.220 0.325 1.00 85.48 C +ATOM 49 CD PRO A 8 -4.675 -2.647 0.189 1.00 88.09 C +HETATM 50 N HYP A 9 -7.982 0.107 -1.571 1.00 85.79 N +HETATM 51 CA HYP A 9 -8.846 1.181 -1.223 1.00 89.05 C +HETATM 52 C HYP A 9 -9.840 0.731 -0.162 1.00 86.28 C +HETATM 53 O HYP A 9 -10.269 -0.423 -0.135 1.00 89.02 O +HETATM 54 CB HYP A 9 -9.669 1.342 -2.546 1.00 82.65 C +HETATM 55 CG HYP A 9 -8.871 0.732 -3.608 1.00 82.34 C +HETATM 56 CD HYP A 9 -8.156 -0.356 -2.945 1.00 86.76 C +HETATM 57 OD1 HYP A 9 -7.934 1.678 -4.082 1.00 85.67 O +ATOM 58 N GLY A 10 -10.173 1.588 0.724 1.00 89.80 N +ATOM 59 CA GLY A 10 -11.307 1.364 1.584 1.00 87.19 C +ATOM 60 C GLY A 10 -12.585 1.587 0.798 1.00 87.77 C +ATOM 61 O GLY A 10 -12.572 2.136 -0.304 1.00 85.37 O +ATOM 62 N THR A 11 -13.699 1.187 1.372 1.00 88.62 N +ATOM 63 CA THR A 11 -14.962 1.394 0.671 1.00 89.86 C +ATOM 64 C THR A 11 -15.248 2.876 0.467 1.00 89.58 C +ATOM 65 O THR A 11 -15.838 3.257 -0.543 1.00 87.54 O +ATOM 66 CB THR A 11 -16.122 0.733 1.421 1.00 87.91 C +ATOM 67 OG1 THR A 11 -16.109 1.157 2.782 1.00 83.83 O +ATOM 68 CG2 THR A 11 -16.007 -0.775 1.366 1.00 81.10 C +ATOM 69 N HIS A 12 -14.821 3.693 1.402 1.00 87.38 N +ATOM 70 CA HIS A 12 -14.934 5.143 1.283 1.00 90.03 C +ATOM 71 C HIS A 12 -13.649 5.799 1.776 1.00 89.42 C +ATOM 72 O HIS A 12 -13.678 6.774 2.526 1.00 85.28 O +ATOM 73 CB HIS A 12 -16.143 5.666 2.069 1.00 88.80 C +ATOM 74 CG HIS A 12 -17.458 5.246 1.480 1.00 85.18 C +ATOM 75 ND1 HIS A 12 -18.177 4.180 1.944 1.00 79.44 N +ATOM 76 CD2 HIS A 12 -18.160 5.761 0.446 1.00 75.04 C +ATOM 77 CE1 HIS A 12 -19.275 4.051 1.212 1.00 77.28 C +ATOM 78 NE2 HIS A 12 -19.296 5.000 0.301 1.00 78.50 N +ATOM 79 N GLY A 13 -12.526 5.256 1.353 1.00 90.21 N +ATOM 80 CA GLY A 13 -11.257 5.757 1.826 1.00 88.41 C +ATOM 81 C GLY A 13 -10.178 5.644 0.780 1.00 89.63 C +ATOM 82 O GLY A 13 -10.333 4.957 -0.227 1.00 89.05 O +ATOM 83 N PRO A 14 -9.092 6.340 1.009 1.00 89.90 N +ATOM 84 CA PRO A 14 -7.986 6.315 0.067 1.00 89.76 C +ATOM 85 C PRO A 14 -7.261 4.982 0.105 1.00 90.11 C +ATOM 86 O PRO A 14 -7.434 4.187 1.022 1.00 88.46 O +ATOM 87 CB PRO A 14 -7.089 7.447 0.551 1.00 87.84 C +ATOM 88 CG PRO A 14 -7.335 7.496 2.013 1.00 87.42 C +ATOM 89 CD PRO A 14 -8.791 7.162 2.184 1.00 88.26 C +HETATM 90 N HYP A 15 -6.475 4.810 -0.876 1.00 86.07 N +HETATM 91 CA HYP A 15 -5.586 3.652 -0.899 1.00 90.57 C +HETATM 92 C HYP A 15 -4.739 3.617 0.317 1.00 92.08 C +HETATM 93 O HYP A 15 -4.438 4.702 0.904 1.00 90.18 O +HETATM 94 CB HYP A 15 -4.851 3.890 -2.209 1.00 85.61 C +HETATM 95 CG HYP A 15 -5.809 4.715 -3.051 1.00 81.78 C +HETATM 96 CD HYP A 15 -6.429 5.621 -2.049 1.00 86.40 C +HETATM 97 OD1 HYP A 15 -6.765 3.904 -3.645 1.00 87.83 O +ATOM 98 N GLY A 16 -4.368 2.469 0.718 1.00 91.44 N +ATOM 99 CA GLY A 16 -3.463 2.335 1.825 1.00 90.77 C +ATOM 100 C GLY A 16 -2.096 2.893 1.484 1.00 91.81 C +ATOM 101 O GLY A 16 -1.821 3.254 0.337 1.00 91.26 O +ATOM 102 N PRO A 17 -1.239 2.966 2.482 1.00 90.53 N +ATOM 103 CA PRO A 17 0.097 3.485 2.244 1.00 90.25 C +ATOM 104 C PRO A 17 0.917 2.524 1.400 1.00 91.02 C +ATOM 105 O PRO A 17 0.617 1.339 1.311 1.00 89.47 O +ATOM 106 CB PRO A 17 0.677 3.637 3.647 1.00 88.30 C +ATOM 107 CG PRO A 17 -0.071 2.654 4.461 1.00 86.76 C +ATOM 108 CD PRO A 17 -1.443 2.581 3.876 1.00 88.29 C +HETATM 109 N HYP A 18 1.955 3.074 0.770 1.00 85.87 N +HETATM 110 CA HYP A 18 2.850 2.235 0.054 1.00 90.75 C +HETATM 111 C HYP A 18 3.435 1.183 0.914 1.00 88.66 C +HETATM 112 O HYP A 18 3.611 1.367 2.136 1.00 91.03 O +HETATM 113 CB HYP A 18 3.876 3.250 -0.438 1.00 86.24 C +HETATM 114 CG HYP A 18 3.146 4.565 -0.498 1.00 84.50 C +HETATM 115 CD HYP A 18 2.249 4.474 0.678 1.00 88.24 C +HETATM 116 OD1 HYP A 18 2.397 4.627 -1.684 1.00 89.01 O +ATOM 117 N GLY A 19 3.701 0.057 0.335 1.00 89.83 N +ATOM 118 CA GLY A 19 4.331 -1.020 1.041 1.00 89.38 C +ATOM 119 C GLY A 19 5.735 -0.653 1.461 1.00 89.60 C +ATOM 120 O GLY A 19 6.289 0.357 1.034 1.00 89.29 O +ATOM 121 N PRO A 20 6.320 -1.472 2.303 1.00 83.93 N +ATOM 122 CA PRO A 20 7.675 -1.203 2.752 1.00 83.86 C +ATOM 123 C PRO A 20 8.680 -1.404 1.635 1.00 83.21 C +ATOM 124 O PRO A 20 8.409 -2.096 0.653 1.00 81.74 O +ATOM 125 CB PRO A 20 7.880 -2.214 3.874 1.00 81.26 C +ATOM 126 CG PRO A 20 6.963 -3.337 3.521 1.00 78.45 C +ATOM 127 CD PRO A 20 5.775 -2.695 2.872 1.00 80.37 C +HETATM 128 N HYP A 21 9.822 -0.787 1.792 1.00 85.65 N +HETATM 129 CA HYP A 21 10.861 -0.965 0.841 1.00 87.56 C +HETATM 130 C HYP A 21 11.289 -2.403 0.695 1.00 85.97 C +HETATM 131 O HYP A 21 11.313 -3.137 1.678 1.00 90.01 O +HETATM 132 CB HYP A 21 12.000 -0.138 1.411 1.00 83.83 C +HETATM 133 CG HYP A 21 11.345 0.876 2.289 1.00 81.49 C +HETATM 134 CD HYP A 21 10.183 0.140 2.835 1.00 86.67 C +HETATM 135 OD1 HYP A 21 10.872 1.973 1.510 1.00 85.78 O +ATOM 136 N GLY A 22 11.502 -2.826 -0.518 1.00 87.40 N +ATOM 137 CA GLY A 22 11.987 -4.149 -0.768 1.00 85.89 C +ATOM 138 C GLY A 22 13.423 -4.290 -0.289 1.00 86.22 C +ATOM 139 O GLY A 22 14.063 -3.311 0.083 1.00 85.36 O +ATOM 140 N PRO A 23 13.943 -5.492 -0.312 1.00 83.91 N +ATOM 141 CA PRO A 23 15.325 -5.703 0.088 1.00 84.89 C +ATOM 142 C PRO A 23 16.257 -5.163 -0.990 1.00 83.52 C +ATOM 143 O PRO A 23 16.362 -5.745 -2.066 1.00 79.39 O +ATOM 144 CB PRO A 23 15.421 -7.216 0.236 1.00 80.74 C +ATOM 145 CG PRO A 23 14.381 -7.748 -0.680 1.00 77.10 C +ATOM 146 CD PRO A 23 13.274 -6.725 -0.699 1.00 79.79 C +HETATM 147 N HYP A 24 16.836 -4.011 -0.811 1.00 82.86 N +HETATM 148 CA HYP A 24 17.327 -3.176 -1.925 1.00 72.93 C +HETATM 149 C HYP A 24 16.550 -2.778 -2.931 1.00 82.49 C +HETATM 150 O HYP A 24 16.643 -1.599 -3.472 1.00 80.40 O +HETATM 151 CB HYP A 24 18.514 -2.457 -1.479 1.00 75.85 C +HETATM 152 CG HYP A 24 18.978 -3.195 -0.256 1.00 76.78 C +HETATM 153 CD HYP A 24 17.740 -4.004 0.215 1.00 80.98 C +HETATM 154 OD1 HYP A 24 19.363 -2.302 0.766 1.00 82.37 O +HETATM 155 OXT HYP A 24 16.507 -3.668 -3.903 1.00 78.48 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_445.txt b/protein_pdb_445.txt new file mode 100644 index 0000000000000000000000000000000000000000..41b410ac8dedc97fcd8a152a0d9d6e6bfea22e8e --- /dev/null +++ b/protein_pdb_445.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 1.467 14.520 -2.929 1.00 88.54 N +ATOM 2 CA GLY A 1 1.385 13.416 -3.831 1.00 88.62 C +ATOM 3 C GLY A 1 0.348 12.379 -3.454 1.00 89.73 C +ATOM 4 O GLY A 1 -0.198 12.407 -2.351 1.00 88.01 O +ATOM 5 N PRO A 2 0.098 11.489 -4.334 1.00 86.01 N +ATOM 6 CA PRO A 2 -0.884 10.448 -4.107 1.00 86.56 C +ATOM 7 C PRO A 2 -0.344 9.351 -3.202 1.00 86.52 C +ATOM 8 O PRO A 2 0.850 9.309 -2.903 1.00 83.87 O +ATOM 9 CB PRO A 2 -1.152 9.930 -5.515 1.00 83.00 C +ATOM 10 CG PRO A 2 0.152 10.112 -6.203 1.00 80.06 C +ATOM 11 CD PRO A 2 0.702 11.401 -5.658 1.00 81.31 C +HETATM 12 N HYP A 3 -1.240 8.494 -2.790 1.00 88.45 N +HETATM 13 CA HYP A 3 -0.803 7.346 -1.996 1.00 88.56 C +HETATM 14 C HYP A 3 0.218 6.498 -2.707 1.00 89.49 C +HETATM 15 O HYP A 3 0.200 6.397 -3.949 1.00 89.67 O +HETATM 16 CB HYP A 3 -2.142 6.563 -1.765 1.00 86.68 C +HETATM 17 CG HYP A 3 -3.221 7.633 -1.884 1.00 81.71 C +HETATM 18 CD HYP A 3 -2.657 8.551 -3.006 1.00 85.86 C +HETATM 19 OD1 HYP A 3 -3.297 8.353 -0.687 1.00 84.94 O +ATOM 20 N GLY A 4 1.136 5.967 -1.953 1.00 90.92 N +ATOM 21 CA GLY A 4 2.140 5.108 -2.516 1.00 90.49 C +ATOM 22 C GLY A 4 1.544 3.793 -2.987 1.00 91.41 C +ATOM 23 O GLY A 4 0.370 3.508 -2.759 1.00 91.19 O +ATOM 24 N PRO A 5 2.357 2.969 -3.640 1.00 87.30 N +ATOM 25 CA PRO A 5 1.876 1.688 -4.131 1.00 86.79 C +ATOM 26 C PRO A 5 1.591 0.725 -2.989 1.00 86.80 C +ATOM 27 O PRO A 5 2.084 0.896 -1.880 1.00 85.28 O +ATOM 28 CB PRO A 5 3.022 1.189 -5.012 1.00 84.56 C +ATOM 29 CG PRO A 5 4.226 1.844 -4.442 1.00 83.60 C +ATOM 30 CD PRO A 5 3.764 3.186 -3.969 1.00 85.13 C +HETATM 31 N HYP A 6 0.765 -0.264 -3.297 1.00 88.35 N +HETATM 32 CA HYP A 6 0.512 -1.321 -2.317 1.00 92.28 C +HETATM 33 C HYP A 6 1.748 -2.008 -1.862 1.00 90.48 C +HETATM 34 O HYP A 6 2.734 -2.134 -2.629 1.00 91.99 O +HETATM 35 CB HYP A 6 -0.446 -2.243 -3.085 1.00 87.98 C +HETATM 36 CG HYP A 6 -1.138 -1.345 -4.092 1.00 85.89 C +HETATM 37 CD HYP A 6 -0.030 -0.418 -4.496 1.00 88.64 C +HETATM 38 OD1 HYP A 6 -2.173 -0.632 -3.466 1.00 86.54 O +ATOM 39 N GLY A 7 1.791 -2.391 -0.610 1.00 92.24 N +ATOM 40 CA GLY A 7 2.903 -3.122 -0.077 1.00 91.77 C +ATOM 41 C GLY A 7 2.996 -4.500 -0.693 1.00 91.91 C +ATOM 42 O GLY A 7 2.119 -4.931 -1.442 1.00 91.29 O +ATOM 43 N PRO A 8 4.069 -5.211 -0.386 1.00 89.21 N +ATOM 44 CA PRO A 8 4.251 -6.542 -0.939 1.00 89.09 C +ATOM 45 C PRO A 8 3.259 -7.532 -0.351 1.00 88.41 C +ATOM 46 O PRO A 8 2.730 -7.339 0.739 1.00 85.56 O +ATOM 47 CB PRO A 8 5.681 -6.898 -0.556 1.00 86.25 C +ATOM 48 CG PRO A 8 5.924 -6.110 0.679 1.00 85.85 C +ATOM 49 CD PRO A 8 5.165 -4.822 0.486 1.00 87.96 C +HETATM 50 N HYP A 9 3.026 -8.611 -1.082 1.00 89.18 N +HETATM 51 CA HYP A 9 2.140 -9.642 -0.626 1.00 88.07 C +HETATM 52 C HYP A 9 2.706 -10.371 0.547 1.00 88.29 C +HETATM 53 O HYP A 9 3.906 -10.549 0.697 1.00 88.29 O +HETATM 54 CB HYP A 9 2.150 -10.629 -1.827 1.00 85.25 C +HETATM 55 CG HYP A 9 2.618 -9.862 -2.989 1.00 83.98 C +HETATM 56 CD HYP A 9 3.542 -8.844 -2.411 1.00 87.94 C +HETATM 57 OD1 HYP A 9 1.531 -9.197 -3.584 1.00 85.26 O +ATOM 58 N GLY A 10 1.869 -10.786 1.459 1.00 89.92 N +ATOM 59 CA GLY A 10 2.260 -11.730 2.470 1.00 87.82 C +ATOM 60 C GLY A 10 2.343 -13.117 1.854 1.00 88.49 C +ATOM 61 O GLY A 10 2.190 -13.288 0.642 1.00 86.42 O +ATOM 62 N LEU A 11 2.570 -14.116 2.675 1.00 86.88 N +ATOM 63 CA LEU A 11 2.604 -15.488 2.175 1.00 89.58 C +ATOM 64 C LEU A 11 1.198 -15.884 1.749 1.00 90.07 C +ATOM 65 O LEU A 11 0.371 -16.283 2.568 1.00 87.26 O +ATOM 66 CB LEU A 11 3.112 -16.432 3.258 1.00 87.40 C +ATOM 67 CG LEU A 11 4.585 -16.278 3.615 1.00 82.55 C +ATOM 68 CD1 LEU A 11 4.918 -17.165 4.795 1.00 80.33 C +ATOM 69 CD2 LEU A 11 5.475 -16.616 2.432 1.00 76.81 C +ATOM 70 N GLY A 12 0.927 -15.742 0.463 1.00 89.05 N +ATOM 71 CA GLY A 12 -0.406 -15.974 -0.062 1.00 89.45 C +ATOM 72 C GLY A 12 -1.391 -14.917 0.370 1.00 91.11 C +ATOM 73 O GLY A 12 -2.591 -15.044 0.121 1.00 87.49 O +ATOM 74 N GLY A 13 -0.896 -13.873 1.011 1.00 92.14 N +ATOM 75 CA GLY A 13 -1.752 -12.834 1.525 1.00 91.13 C +ATOM 76 C GLY A 13 -1.914 -11.682 0.560 1.00 91.76 C +ATOM 77 O GLY A 13 -1.244 -11.616 -0.469 1.00 91.07 O +ATOM 78 N PRO A 14 -2.812 -10.780 0.882 1.00 91.73 N +ATOM 79 CA PRO A 14 -3.066 -9.637 0.014 1.00 91.57 C +ATOM 80 C PRO A 14 -1.926 -8.640 0.059 1.00 91.70 C +ATOM 81 O PRO A 14 -1.110 -8.645 0.973 1.00 90.22 O +ATOM 82 CB PRO A 14 -4.352 -9.037 0.583 1.00 89.70 C +ATOM 83 CG PRO A 14 -4.282 -9.368 2.030 1.00 88.41 C +ATOM 84 CD PRO A 14 -3.642 -10.730 2.090 1.00 89.56 C +HETATM 85 N HYP A 15 -1.902 -7.834 -0.942 1.00 88.99 N +HETATM 86 CA HYP A 15 -0.964 -6.740 -0.939 1.00 89.75 C +HETATM 87 C HYP A 15 -1.125 -5.881 0.255 1.00 92.09 C +HETATM 88 O HYP A 15 -2.254 -5.795 0.818 1.00 91.01 O +HETATM 89 CB HYP A 15 -1.328 -6.046 -2.272 1.00 88.11 C +HETATM 90 CG HYP A 15 -1.948 -7.147 -3.138 1.00 84.50 C +HETATM 91 CD HYP A 15 -2.703 -7.963 -2.137 1.00 89.12 C +HETATM 92 OD1 HYP A 15 -0.946 -7.923 -3.725 1.00 86.24 O +ATOM 93 N GLY A 16 -0.077 -5.272 0.681 1.00 90.83 N +ATOM 94 CA GLY A 16 -0.156 -4.346 1.775 1.00 90.58 C +ATOM 95 C GLY A 16 -0.985 -3.134 1.405 1.00 91.40 C +ATOM 96 O GLY A 16 -1.351 -2.931 0.249 1.00 90.87 O +ATOM 97 N PRO A 17 -1.287 -2.320 2.400 1.00 89.54 N +ATOM 98 CA PRO A 17 -2.067 -1.119 2.141 1.00 89.47 C +ATOM 99 C PRO A 17 -1.275 -0.110 1.325 1.00 90.22 C +ATOM 100 O PRO A 17 -0.056 -0.180 1.242 1.00 88.79 O +ATOM 101 CB PRO A 17 -2.384 -0.589 3.534 1.00 87.33 C +ATOM 102 CG PRO A 17 -1.276 -1.103 4.378 1.00 86.00 C +ATOM 103 CD PRO A 17 -0.923 -2.445 3.802 1.00 87.34 C +HETATM 104 N HYP A 18 -2.003 0.811 0.698 1.00 86.75 N +HETATM 105 CA HYP A 18 -1.348 1.864 0.004 1.00 88.99 C +HETATM 106 C HYP A 18 -0.405 2.620 0.869 1.00 88.58 C +HETATM 107 O HYP A 18 -0.643 2.777 2.076 1.00 89.01 O +HETATM 108 CB HYP A 18 -2.525 2.698 -0.511 1.00 84.73 C +HETATM 109 CG HYP A 18 -3.682 1.718 -0.614 1.00 85.34 C +HETATM 110 CD HYP A 18 -3.456 0.824 0.564 1.00 89.17 C +HETATM 111 OD1 HYP A 18 -3.564 0.980 -1.815 1.00 85.28 O +ATOM 112 N GLY A 19 0.678 3.077 0.304 1.00 87.42 N +ATOM 113 CA GLY A 19 1.638 3.864 1.018 1.00 87.15 C +ATOM 114 C GLY A 19 1.068 5.210 1.406 1.00 87.82 C +ATOM 115 O GLY A 19 -0.020 5.591 0.975 1.00 88.41 O +ATOM 116 N PRO A 20 1.791 5.927 2.232 1.00 86.52 N +ATOM 117 CA PRO A 20 1.325 7.235 2.650 1.00 86.46 C +ATOM 118 C PRO A 20 1.380 8.234 1.509 1.00 86.11 C +ATOM 119 O PRO A 20 2.075 8.026 0.516 1.00 84.42 O +ATOM 120 CB PRO A 20 2.290 7.614 3.766 1.00 83.93 C +ATOM 121 CG PRO A 20 3.533 6.865 3.439 1.00 82.46 C +ATOM 122 CD PRO A 20 3.077 5.580 2.817 1.00 85.00 C +HETATM 123 N HYP A 21 0.638 9.300 1.652 1.00 89.35 N +HETATM 124 CA HYP A 21 0.657 10.341 0.667 1.00 88.76 C +HETATM 125 C HYP A 21 2.023 10.930 0.459 1.00 87.99 C +HETATM 126 O HYP A 21 2.790 11.042 1.422 1.00 89.64 O +HETATM 127 CB HYP A 21 -0.323 11.371 1.211 1.00 85.52 C +HETATM 128 CG HYP A 21 -1.238 10.596 2.121 1.00 83.48 C +HETATM 129 CD HYP A 21 -0.340 9.547 2.701 1.00 89.66 C +HETATM 130 OD1 HYP A 21 -2.251 9.961 1.345 1.00 83.73 O +ATOM 131 N GLY A 22 2.368 11.243 -0.751 1.00 88.42 N +ATOM 132 CA GLY A 22 3.611 11.893 -1.042 1.00 87.09 C +ATOM 133 C GLY A 22 3.576 13.337 -0.561 1.00 87.22 C +ATOM 134 O GLY A 22 2.544 13.830 -0.113 1.00 86.09 O +ATOM 135 N PRO A 23 4.698 14.025 -0.664 1.00 89.80 N +ATOM 136 CA PRO A 23 4.749 15.419 -0.252 1.00 89.66 C +ATOM 137 C PRO A 23 4.062 16.293 -1.290 1.00 88.44 C +ATOM 138 O PRO A 23 4.589 16.488 -2.384 1.00 85.18 O +ATOM 139 CB PRO A 23 6.239 15.697 -0.166 1.00 85.92 C +ATOM 140 CG PRO A 23 6.841 14.765 -1.159 1.00 82.58 C +ATOM 141 CD PRO A 23 5.975 13.533 -1.137 1.00 85.49 C +HETATM 142 N HYP A 24 2.871 16.699 -1.025 1.00 91.58 N +HETATM 143 CA HYP A 24 1.945 17.112 -2.104 1.00 87.03 C +HETATM 144 C HYP A 24 1.573 16.107 -3.052 1.00 90.95 C +HETATM 145 O HYP A 24 2.182 16.257 -4.208 1.00 87.73 O +HETATM 146 CB HYP A 24 1.001 18.045 -1.536 1.00 86.39 C +HETATM 147 CG HYP A 24 1.928 18.787 -0.573 1.00 84.68 C +HETATM 148 CD HYP A 24 2.864 17.653 -0.037 1.00 87.66 C +HETATM 149 OD1 HYP A 24 1.242 19.452 0.427 1.00 85.96 O +HETATM 150 OXT HYP A 24 0.206 15.964 -3.368 1.00 83.90 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_446.txt b/protein_pdb_446.txt new file mode 100644 index 0000000000000000000000000000000000000000..956dd0cfc67072394ff926ca8c03e6dc676946e9 --- /dev/null +++ b/protein_pdb_446.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 20.740 -25.920 -12.091 1.00 92.14 N +ATOM 2 CA GLY A 1 21.243 -24.549 -12.035 1.00 93.51 C +ATOM 3 C GLY A 1 20.740 -23.821 -10.808 1.00 94.50 C +ATOM 4 O GLY A 1 19.902 -24.353 -10.075 1.00 92.80 O +ATOM 5 N PRO A 2 21.200 -22.603 -10.555 1.00 96.04 N +ATOM 6 CA PRO A 2 20.742 -21.847 -9.391 1.00 96.45 C +ATOM 7 C PRO A 2 19.289 -21.416 -9.556 1.00 96.83 C +ATOM 8 O PRO A 2 18.792 -21.290 -10.674 1.00 95.70 O +ATOM 9 CB PRO A 2 21.684 -20.642 -9.346 1.00 94.86 C +ATOM 10 CG PRO A 2 22.100 -20.462 -10.766 1.00 92.77 C +ATOM 11 CD PRO A 2 22.188 -21.850 -11.329 1.00 94.81 C +HETATM 12 N HYP A 3 18.624 -21.223 -8.473 1.00 97.45 N +HETATM 13 CA HYP A 3 17.260 -20.709 -8.456 1.00 96.98 C +HETATM 14 C HYP A 3 17.125 -19.359 -9.144 1.00 97.98 C +HETATM 15 O HYP A 3 18.055 -18.522 -9.086 1.00 96.77 O +HETATM 16 CB HYP A 3 16.940 -20.590 -7.001 1.00 96.18 C +HETATM 17 CG HYP A 3 17.888 -21.523 -6.297 1.00 94.84 C +HETATM 18 CD HYP A 3 19.145 -21.424 -7.131 1.00 96.36 C +HETATM 19 OD1 HYP A 3 17.421 -22.832 -6.278 1.00 94.63 O +ATOM 20 N GLY A 4 15.973 -19.132 -9.751 1.00 97.61 N +ATOM 21 CA GLY A 4 15.723 -17.861 -10.377 1.00 97.47 C +ATOM 22 C GLY A 4 15.455 -16.791 -9.325 1.00 97.60 C +ATOM 23 O GLY A 4 15.272 -17.101 -8.141 1.00 97.45 O +ATOM 24 N PRO A 5 15.413 -15.520 -9.738 1.00 97.24 N +ATOM 25 CA PRO A 5 15.171 -14.442 -8.780 1.00 97.09 C +ATOM 26 C PRO A 5 13.728 -14.443 -8.288 1.00 97.30 C +ATOM 27 O PRO A 5 12.829 -14.919 -8.976 1.00 96.94 O +ATOM 28 CB PRO A 5 15.496 -13.178 -9.577 1.00 96.17 C +ATOM 29 CG PRO A 5 15.190 -13.569 -10.981 1.00 94.96 C +ATOM 30 CD PRO A 5 15.609 -15.015 -11.089 1.00 96.49 C +HETATM 31 N HYP A 6 13.505 -13.922 -7.118 1.00 97.96 N +HETATM 32 CA HYP A 6 12.145 -13.716 -6.585 1.00 97.35 C +HETATM 33 C HYP A 6 11.303 -12.798 -7.426 1.00 98.05 C +HETATM 34 O HYP A 6 11.838 -11.911 -8.110 1.00 97.20 O +HETATM 35 CB HYP A 6 12.381 -13.075 -5.205 1.00 95.75 C +HETATM 36 CG HYP A 6 13.751 -13.500 -4.819 1.00 94.54 C +HETATM 37 CD HYP A 6 14.463 -13.505 -6.142 1.00 96.36 C +HETATM 38 OD1 HYP A 6 13.744 -14.775 -4.258 1.00 93.30 O +ATOM 39 N GLY A 7 10.000 -12.988 -7.422 1.00 97.23 N +ATOM 40 CA GLY A 7 9.107 -12.140 -8.170 1.00 97.05 C +ATOM 41 C GLY A 7 9.044 -10.743 -7.561 1.00 97.34 C +ATOM 42 O GLY A 7 9.545 -10.506 -6.465 1.00 97.21 O +ATOM 43 N PRO A 8 8.422 -9.809 -8.272 1.00 97.20 N +ATOM 44 CA PRO A 8 8.313 -8.437 -7.767 1.00 97.15 C +ATOM 45 C PRO A 8 7.362 -8.356 -6.580 1.00 97.22 C +ATOM 46 O PRO A 8 6.475 -9.189 -6.426 1.00 96.67 O +ATOM 47 CB PRO A 8 7.799 -7.651 -8.967 1.00 96.27 C +ATOM 48 CG PRO A 8 7.030 -8.668 -9.745 1.00 95.46 C +ATOM 49 CD PRO A 8 7.800 -9.954 -9.579 1.00 96.76 C +HETATM 50 N HYP A 9 7.486 -7.362 -5.760 1.00 97.79 N +HETATM 51 CA HYP A 9 6.586 -7.072 -4.648 1.00 97.35 C +HETATM 52 C HYP A 9 5.208 -6.761 -5.099 1.00 97.88 C +HETATM 53 O HYP A 9 5.012 -6.225 -6.197 1.00 97.00 O +HETATM 54 CB HYP A 9 7.225 -5.821 -3.960 1.00 96.00 C +HETATM 55 CG HYP A 9 8.654 -5.931 -4.299 1.00 95.46 C +HETATM 56 CD HYP A 9 8.628 -6.504 -5.694 1.00 96.63 C +HETATM 57 OD1 HYP A 9 9.295 -6.846 -3.426 1.00 93.30 O +ATOM 58 N GLY A 10 4.197 -7.073 -4.297 1.00 97.05 N +ATOM 59 CA GLY A 10 2.821 -6.772 -4.613 1.00 96.62 C +ATOM 60 C GLY A 10 2.583 -5.273 -4.681 1.00 96.84 C +ATOM 61 O GLY A 10 3.407 -4.466 -4.234 1.00 96.35 O +ATOM 62 N ALA A 11 1.437 -4.908 -5.235 1.00 96.32 N +ATOM 63 CA ALA A 11 1.085 -3.496 -5.365 1.00 95.96 C +ATOM 64 C ALA A 11 0.862 -2.845 -4.001 1.00 96.08 C +ATOM 65 O ALA A 11 0.411 -3.483 -3.055 1.00 94.61 O +ATOM 66 CB ALA A 11 -0.169 -3.358 -6.219 1.00 94.06 C +ATOM 67 N TYR A 12 1.165 -1.542 -3.902 1.00 96.48 N +ATOM 68 CA TYR A 12 0.943 -0.771 -2.686 1.00 96.03 C +ATOM 69 C TYR A 12 -0.564 -0.751 -2.412 1.00 96.59 C +ATOM 70 O TYR A 12 -1.365 -0.629 -3.341 1.00 95.61 O +ATOM 71 CB TYR A 12 1.478 0.655 -2.879 1.00 94.63 C +ATOM 72 CG TYR A 12 1.711 1.420 -1.594 1.00 90.31 C +ATOM 73 CD1 TYR A 12 2.872 1.221 -0.856 1.00 87.37 C +ATOM 74 CD2 TYR A 12 0.793 2.349 -1.133 1.00 85.75 C +ATOM 75 CE1 TYR A 12 3.108 1.921 0.317 1.00 82.63 C +ATOM 76 CE2 TYR A 12 1.014 3.062 0.044 1.00 83.15 C +ATOM 77 CZ TYR A 12 2.176 2.853 0.772 1.00 83.33 C +ATOM 78 OH TYR A 12 2.409 3.552 1.931 1.00 82.64 O +ATOM 79 N GLY A 13 -0.928 -0.896 -1.145 1.00 97.07 N +ATOM 80 CA GLY A 13 -2.336 -0.934 -0.783 1.00 96.88 C +ATOM 81 C GLY A 13 -3.067 0.369 -1.053 1.00 97.23 C +ATOM 82 O GLY A 13 -2.440 1.414 -1.253 1.00 96.91 O +ATOM 83 N PRO A 14 -4.410 0.344 -1.063 1.00 96.70 N +ATOM 84 CA PRO A 14 -5.186 1.562 -1.313 1.00 96.66 C +ATOM 85 C PRO A 14 -5.088 2.525 -0.144 1.00 97.01 C +ATOM 86 O PRO A 14 -4.794 2.125 0.979 1.00 96.38 O +ATOM 87 CB PRO A 14 -6.613 1.042 -1.500 1.00 95.40 C +ATOM 88 CG PRO A 14 -6.640 -0.206 -0.691 1.00 94.51 C +ATOM 89 CD PRO A 14 -5.273 -0.814 -0.863 1.00 95.82 C +HETATM 90 N HYP A 15 -5.347 3.799 -0.366 1.00 97.57 N +HETATM 91 CA HYP A 15 -5.402 4.822 0.661 1.00 97.17 C +HETATM 92 C HYP A 15 -6.410 4.550 1.728 1.00 98.08 C +HETATM 93 O HYP A 15 -7.420 3.891 1.452 1.00 96.39 O +HETATM 94 CB HYP A 15 -5.697 6.083 -0.113 1.00 96.18 C +HETATM 95 CG HYP A 15 -5.145 5.805 -1.474 1.00 95.15 C +HETATM 96 CD HYP A 15 -5.467 4.362 -1.653 1.00 95.79 C +HETATM 97 OD1 HYP A 15 -3.751 5.979 -1.547 1.00 94.41 O +ATOM 98 N GLY A 16 -6.171 4.960 2.919 1.00 97.44 N +ATOM 99 CA GLY A 16 -7.121 4.797 3.988 1.00 97.17 C +ATOM 100 C GLY A 16 -8.341 5.675 3.765 1.00 97.31 C +ATOM 101 O GLY A 16 -8.370 6.509 2.854 1.00 97.12 O +ATOM 102 N PRO A 17 -9.382 5.503 4.600 1.00 96.93 N +ATOM 103 CA PRO A 17 -10.602 6.290 4.443 1.00 96.65 C +ATOM 104 C PRO A 17 -10.377 7.756 4.796 1.00 96.72 C +ATOM 105 O PRO A 17 -9.484 8.094 5.562 1.00 96.15 O +ATOM 106 CB PRO A 17 -11.578 5.622 5.407 1.00 95.36 C +ATOM 107 CG PRO A 17 -10.700 5.038 6.455 1.00 94.46 C +ATOM 108 CD PRO A 17 -9.469 4.564 5.719 1.00 96.00 C +HETATM 109 N HYP A 18 -11.164 8.636 4.285 1.00 97.67 N +HETATM 110 CA HYP A 18 -11.175 10.055 4.600 1.00 96.85 C +HETATM 111 C HYP A 18 -11.480 10.320 6.059 1.00 97.46 C +HETATM 112 O HYP A 18 -12.153 9.516 6.726 1.00 96.88 O +HETATM 113 CB HYP A 18 -12.304 10.595 3.749 1.00 95.74 C +HETATM 114 CG HYP A 18 -12.419 9.649 2.609 1.00 94.60 C +HETATM 115 CD HYP A 18 -12.095 8.345 3.256 1.00 96.32 C +HETATM 116 OD1 HYP A 18 -11.471 9.933 1.600 1.00 93.76 O +ATOM 117 N GLY A 19 -10.964 11.386 6.579 1.00 96.33 N +ATOM 118 CA GLY A 19 -11.246 11.761 7.939 1.00 96.08 C +ATOM 119 C GLY A 19 -12.697 12.183 8.087 1.00 96.40 C +ATOM 120 O GLY A 19 -13.422 12.326 7.101 1.00 96.04 O +ATOM 121 N PRO A 20 -13.152 12.417 9.329 1.00 95.53 N +ATOM 122 CA PRO A 20 -14.537 12.813 9.559 1.00 95.06 C +ATOM 123 C PRO A 20 -14.801 14.232 9.066 1.00 95.21 C +ATOM 124 O PRO A 20 -13.882 15.034 8.933 1.00 94.03 O +ATOM 125 CB PRO A 20 -14.684 12.697 11.079 1.00 93.39 C +ATOM 126 CG PRO A 20 -13.304 12.930 11.585 1.00 92.17 C +ATOM 127 CD PRO A 20 -12.400 12.284 10.570 1.00 94.53 C +HETATM 128 N HYP A 21 -16.029 14.597 8.823 1.00 96.45 N +HETATM 129 CA HYP A 21 -16.451 15.896 8.398 1.00 94.96 C +HETATM 130 C HYP A 21 -16.176 16.972 9.411 1.00 96.97 C +HETATM 131 O HYP A 21 -16.212 16.677 10.624 1.00 95.49 O +HETATM 132 CB HYP A 21 -17.975 15.769 8.234 1.00 94.28 C +HETATM 133 CG HYP A 21 -18.200 14.319 7.949 1.00 93.09 C +HETATM 134 CD HYP A 21 -17.130 13.659 8.773 1.00 94.52 C +HETATM 135 OD1 HYP A 21 -17.967 14.034 6.576 1.00 92.00 O +ATOM 136 N GLY A 22 -15.843 18.160 8.982 1.00 92.40 N +ATOM 137 CA GLY A 22 -15.611 19.260 9.884 1.00 92.19 C +ATOM 138 C GLY A 22 -16.916 19.688 10.536 1.00 93.02 C +ATOM 139 O GLY A 22 -17.993 19.212 10.176 1.00 92.09 O +ATOM 140 N PRO A 23 -16.867 20.637 11.488 1.00 92.61 N +ATOM 141 CA PRO A 23 -18.081 21.089 12.166 1.00 92.99 C +ATOM 142 C PRO A 23 -18.960 21.904 11.236 1.00 92.52 C +ATOM 143 O PRO A 23 -18.476 22.530 10.299 1.00 89.32 O +ATOM 144 CB PRO A 23 -17.547 21.926 13.330 1.00 89.95 C +ATOM 145 CG PRO A 23 -16.241 22.434 12.835 1.00 87.13 C +ATOM 146 CD PRO A 23 -15.671 21.299 12.010 1.00 90.68 C +HETATM 147 N HYP A 24 -20.282 21.991 11.519 1.00 94.26 N +HETATM 148 CA HYP A 24 -21.163 22.778 10.646 1.00 89.23 C +HETATM 149 C HYP A 24 -20.979 24.283 10.946 1.00 90.89 C +HETATM 150 O HYP A 24 -21.658 25.145 10.483 1.00 89.06 O +HETATM 151 CB HYP A 24 -22.595 22.438 11.204 1.00 90.33 C +HETATM 152 CG HYP A 24 -22.460 21.218 12.023 1.00 89.19 C +HETATM 153 CD HYP A 24 -21.025 21.231 12.503 1.00 91.52 C +HETATM 154 OD1 HYP A 24 -22.625 20.090 11.186 1.00 85.36 O +HETATM 155 OXT HYP A 24 -20.079 24.595 11.712 1.00 86.97 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_447.txt b/protein_pdb_447.txt new file mode 100644 index 0000000000000000000000000000000000000000..314414442b0b384b971445e0072f672a4a3a5e5b --- /dev/null +++ b/protein_pdb_447.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 14.879 3.005 0.813 1.00 79.21 N +ATOM 2 CA GLY A 1 14.162 2.258 1.835 1.00 80.84 C +ATOM 3 C GLY A 1 13.212 1.273 1.217 1.00 82.03 C +ATOM 4 O GLY A 1 13.083 1.209 -0.006 1.00 79.33 O +ATOM 5 N PRO A 2 12.502 0.496 2.039 1.00 79.61 N +ATOM 6 CA PRO A 2 11.561 -0.492 1.523 1.00 81.99 C +ATOM 7 C PRO A 2 10.325 0.155 0.944 1.00 81.73 C +ATOM 8 O PRO A 2 10.036 1.317 1.193 1.00 79.72 O +ATOM 9 CB PRO A 2 11.222 -1.326 2.758 1.00 78.16 C +ATOM 10 CG PRO A 2 11.405 -0.376 3.891 1.00 73.20 C +ATOM 11 CD PRO A 2 12.566 0.493 3.499 1.00 74.04 C +HETATM 12 N HYP A 3 9.642 -0.590 0.154 1.00 82.67 N +HETATM 13 CA HYP A 3 8.350 -0.124 -0.373 1.00 82.05 C +HETATM 14 C HYP A 3 7.410 0.273 0.723 1.00 83.15 C +HETATM 15 O HYP A 3 7.460 -0.336 1.822 1.00 88.61 O +HETATM 16 CB HYP A 3 7.817 -1.391 -1.123 1.00 82.42 C +HETATM 17 CG HYP A 3 9.058 -2.158 -1.535 1.00 78.80 C +HETATM 18 CD HYP A 3 9.996 -1.946 -0.302 1.00 83.29 C +HETATM 19 OD1 HYP A 3 9.615 -1.519 -2.646 1.00 82.26 O +ATOM 20 N GLY A 4 6.635 1.288 0.474 1.00 89.00 N +ATOM 21 CA GLY A 4 5.661 1.727 1.430 1.00 88.55 C +ATOM 22 C GLY A 4 4.565 0.700 1.603 1.00 89.74 C +ATOM 23 O GLY A 4 4.469 -0.267 0.850 1.00 90.13 O +ATOM 24 N PRO A 5 3.726 0.904 2.603 1.00 86.40 N +ATOM 25 CA PRO A 5 2.637 -0.032 2.846 1.00 86.18 C +ATOM 26 C PRO A 5 1.558 0.088 1.786 1.00 85.71 C +ATOM 27 O PRO A 5 1.486 1.072 1.063 1.00 84.59 O +ATOM 28 CB PRO A 5 2.124 0.390 4.218 1.00 84.24 C +ATOM 29 CG PRO A 5 2.416 1.848 4.272 1.00 81.74 C +ATOM 30 CD PRO A 5 3.727 2.011 3.556 1.00 84.34 C +HETATM 31 N HYP A 6 0.742 -0.941 1.680 1.00 87.89 N +HETATM 32 CA HYP A 6 -0.414 -0.885 0.810 1.00 93.05 C +HETATM 33 C HYP A 6 -1.313 0.257 1.143 1.00 90.46 C +HETATM 34 O HYP A 6 -1.413 0.652 2.332 1.00 90.63 O +HETATM 35 CB HYP A 6 -1.110 -2.249 1.087 1.00 84.50 C +HETATM 36 CG HYP A 6 0.007 -3.168 1.502 1.00 85.34 C +HETATM 37 CD HYP A 6 0.884 -2.237 2.342 1.00 87.61 C +HETATM 38 OD1 HYP A 6 0.706 -3.599 0.371 1.00 87.49 O +ATOM 39 N GLY A 7 -1.918 0.817 0.152 1.00 89.81 N +ATOM 40 CA GLY A 7 -2.857 1.883 0.359 1.00 88.86 C +ATOM 41 C GLY A 7 -4.081 1.385 1.107 1.00 90.02 C +ATOM 42 O GLY A 7 -4.287 0.184 1.268 1.00 89.73 O +ATOM 43 N PRO A 8 -4.890 2.320 1.569 1.00 86.82 N +ATOM 44 CA PRO A 8 -6.082 1.926 2.303 1.00 86.46 C +ATOM 45 C PRO A 8 -7.113 1.274 1.395 1.00 86.61 C +ATOM 46 O PRO A 8 -7.146 1.514 0.197 1.00 84.44 O +ATOM 47 CB PRO A 8 -6.587 3.238 2.889 1.00 83.37 C +ATOM 48 CG PRO A 8 -6.075 4.270 1.962 1.00 82.21 C +ATOM 49 CD PRO A 8 -4.742 3.761 1.479 1.00 84.04 C +HETATM 50 N HYP A 9 -7.984 0.458 1.988 1.00 86.17 N +HETATM 51 CA HYP A 9 -9.005 -0.182 1.257 1.00 86.19 C +HETATM 52 C HYP A 9 -10.055 0.804 0.806 1.00 86.75 C +HETATM 53 O HYP A 9 -10.315 1.823 1.484 1.00 86.73 O +HETATM 54 CB HYP A 9 -9.680 -1.132 2.290 1.00 79.46 C +HETATM 55 CG HYP A 9 -8.639 -1.357 3.320 1.00 79.31 C +HETATM 56 CD HYP A 9 -7.902 -0.069 3.391 1.00 85.08 C +HETATM 57 OD1 HYP A 9 -7.759 -2.364 2.868 1.00 82.63 O +ATOM 58 N GLY A 10 -10.655 0.624 -0.314 1.00 88.13 N +ATOM 59 CA GLY A 10 -11.807 1.400 -0.718 1.00 85.37 C +ATOM 60 C GLY A 10 -13.040 0.876 -0.008 1.00 85.85 C +ATOM 61 O GLY A 10 -12.951 0.079 0.927 1.00 83.69 O +ATOM 62 N CYS A 11 -14.192 1.321 -0.462 1.00 85.34 N +ATOM 63 CA CYS A 11 -15.428 0.853 0.157 1.00 88.31 C +ATOM 64 C CYS A 11 -15.463 -0.674 0.187 1.00 89.03 C +ATOM 65 O CYS A 11 -15.662 -1.285 1.242 1.00 86.35 O +ATOM 66 CB CYS A 11 -16.635 1.407 -0.606 1.00 85.42 C +ATOM 67 SG CYS A 11 -18.188 0.972 0.169 1.00 79.73 S +ATOM 68 N HIS A 12 -15.246 -1.273 -0.973 1.00 87.60 N +ATOM 69 CA HIS A 12 -15.107 -2.724 -1.085 1.00 91.16 C +ATOM 70 C HIS A 12 -13.839 -3.087 -1.830 1.00 91.68 C +ATOM 71 O HIS A 12 -13.603 -4.263 -2.117 1.00 87.71 O +ATOM 72 CB HIS A 12 -16.318 -3.325 -1.807 1.00 89.64 C +ATOM 73 CG HIS A 12 -17.604 -3.144 -1.071 1.00 86.53 C +ATOM 74 ND1 HIS A 12 -18.646 -2.395 -1.555 1.00 81.16 N +ATOM 75 CD2 HIS A 12 -18.006 -3.614 0.122 1.00 76.45 C +ATOM 76 CE1 HIS A 12 -19.631 -2.423 -0.682 1.00 78.49 C +ATOM 77 NE2 HIS A 12 -19.287 -3.150 0.348 1.00 79.81 N +ATOM 78 N GLY A 13 -13.059 -2.097 -2.170 1.00 91.71 N +ATOM 79 CA GLY A 13 -11.883 -2.318 -2.970 1.00 90.61 C +ATOM 80 C GLY A 13 -10.731 -2.906 -2.189 1.00 90.84 C +ATOM 81 O GLY A 13 -10.696 -2.850 -0.958 1.00 90.98 O +ATOM 82 N PRO A 14 -9.784 -3.481 -2.901 1.00 88.93 N +ATOM 83 CA PRO A 14 -8.604 -4.042 -2.265 1.00 88.07 C +ATOM 84 C PRO A 14 -7.679 -2.940 -1.786 1.00 88.21 C +ATOM 85 O PRO A 14 -7.829 -1.780 -2.160 1.00 85.56 O +ATOM 86 CB PRO A 14 -7.960 -4.866 -3.379 1.00 85.87 C +ATOM 87 CG PRO A 14 -8.328 -4.120 -4.616 1.00 84.24 C +ATOM 88 CD PRO A 14 -9.723 -3.607 -4.358 1.00 84.55 C +HETATM 89 N HYP A 15 -6.752 -3.338 -0.984 1.00 90.27 N +HETATM 90 CA HYP A 15 -5.726 -2.406 -0.611 1.00 90.66 C +HETATM 91 C HYP A 15 -5.019 -1.866 -1.794 1.00 92.38 C +HETATM 92 O HYP A 15 -4.911 -2.581 -2.828 1.00 91.99 O +HETATM 93 CB HYP A 15 -4.822 -3.305 0.267 1.00 86.85 C +HETATM 94 CG HYP A 15 -5.724 -4.408 0.807 1.00 85.96 C +HETATM 95 CD HYP A 15 -6.654 -4.665 -0.352 1.00 89.52 C +HETATM 96 OD1 HYP A 15 -6.450 -3.931 1.914 1.00 87.99 O +ATOM 97 N GLY A 16 -4.576 -0.653 -1.725 1.00 93.03 N +ATOM 98 CA GLY A 16 -3.806 -0.073 -2.790 1.00 92.25 C +ATOM 99 C GLY A 16 -2.455 -0.752 -2.906 1.00 93.14 C +ATOM 100 O GLY A 16 -2.077 -1.561 -2.054 1.00 92.56 O +ATOM 101 N PRO A 17 -1.733 -0.425 -3.968 1.00 89.81 N +ATOM 102 CA PRO A 17 -0.422 -1.023 -4.158 1.00 88.95 C +ATOM 103 C PRO A 17 0.574 -0.500 -3.135 1.00 89.73 C +ATOM 104 O PRO A 17 0.363 0.539 -2.517 1.00 87.86 O +ATOM 105 CB PRO A 17 -0.049 -0.608 -5.573 1.00 87.07 C +ATOM 106 CG PRO A 17 -0.781 0.668 -5.768 1.00 85.09 C +ATOM 107 CD PRO A 17 -2.076 0.503 -5.036 1.00 86.26 C +HETATM 108 N HYP A 18 1.662 -1.238 -2.969 1.00 87.29 N +HETATM 109 CA HYP A 18 2.706 -0.772 -2.137 1.00 89.26 C +HETATM 110 C HYP A 18 3.245 0.554 -2.582 1.00 88.67 C +HETATM 111 O HYP A 18 3.255 0.830 -3.800 1.00 89.25 O +HETATM 112 CB HYP A 18 3.781 -1.877 -2.274 1.00 84.97 C +HETATM 113 CG HYP A 18 2.984 -3.120 -2.592 1.00 84.91 C +HETATM 114 CD HYP A 18 1.899 -2.569 -3.507 1.00 89.06 C +HETATM 115 OD1 HYP A 18 2.393 -3.637 -1.412 1.00 85.00 O +ATOM 116 N GLY A 19 3.607 1.382 -1.658 1.00 87.94 N +ATOM 117 CA GLY A 19 4.183 2.657 -1.974 1.00 87.47 C +ATOM 118 C GLY A 19 5.560 2.495 -2.585 1.00 87.54 C +ATOM 119 O GLY A 19 6.122 1.404 -2.612 1.00 87.93 O +ATOM 120 N PRO A 20 6.103 3.590 -3.081 1.00 83.00 N +ATOM 121 CA PRO A 20 7.423 3.529 -3.683 1.00 82.37 C +ATOM 122 C PRO A 20 8.503 3.321 -2.641 1.00 81.84 C +ATOM 123 O PRO A 20 8.281 3.524 -1.450 1.00 81.63 O +ATOM 124 CB PRO A 20 7.550 4.894 -4.355 1.00 79.92 C +ATOM 125 CG PRO A 20 6.709 5.781 -3.505 1.00 76.66 C +ATOM 126 CD PRO A 20 5.548 4.939 -3.083 1.00 78.34 C +HETATM 127 N HYP A 21 9.663 2.881 -3.096 1.00 84.36 N +HETATM 128 CA HYP A 21 10.785 2.785 -2.219 1.00 86.59 C +HETATM 129 C HYP A 21 11.131 4.080 -1.523 1.00 84.85 C +HETATM 130 O HYP A 21 10.853 5.141 -2.084 1.00 90.38 O +HETATM 131 CB HYP A 21 11.910 2.295 -3.109 1.00 82.27 C +HETATM 132 CG HYP A 21 11.215 1.513 -4.194 1.00 78.27 C +HETATM 133 CD HYP A 21 9.963 2.330 -4.427 1.00 84.18 C +HETATM 134 OD1 HYP A 21 10.839 0.239 -3.692 1.00 83.52 O +ATOM 135 N GLY A 22 11.600 4.015 -0.339 1.00 84.44 N +ATOM 136 CA GLY A 22 11.976 5.188 0.394 1.00 81.95 C +ATOM 137 C GLY A 22 13.145 5.896 -0.270 1.00 81.54 C +ATOM 138 O GLY A 22 13.667 5.444 -1.287 1.00 81.46 O +ATOM 139 N PRO A 23 13.583 7.009 0.309 1.00 88.50 N +ATOM 140 CA PRO A 23 14.693 7.751 -0.273 1.00 87.85 C +ATOM 141 C PRO A 23 15.970 6.930 -0.256 1.00 86.80 C +ATOM 142 O PRO A 23 16.117 5.986 0.514 1.00 82.81 O +ATOM 143 CB PRO A 23 14.798 8.990 0.606 1.00 83.76 C +ATOM 144 CG PRO A 23 14.176 8.590 1.884 1.00 82.12 C +ATOM 145 CD PRO A 23 13.100 7.616 1.537 1.00 84.71 C +HETATM 146 N HYP A 24 16.874 7.240 -1.037 1.00 89.27 N +HETATM 147 CA HYP A 24 18.109 6.470 -1.168 1.00 82.93 C +HETATM 148 C HYP A 24 18.574 5.919 0.117 1.00 85.95 C +HETATM 149 O HYP A 24 19.281 6.608 0.885 1.00 83.52 O +HETATM 150 CB HYP A 24 19.053 7.399 -1.876 1.00 84.17 C +HETATM 151 CG HYP A 24 18.282 8.628 -2.286 1.00 84.02 C +HETATM 152 CD HYP A 24 16.986 8.587 -1.501 1.00 88.16 C +HETATM 153 OD1 HYP A 24 17.910 8.528 -3.659 1.00 84.90 O +HETATM 154 OXT HYP A 24 18.284 4.717 0.343 1.00 81.55 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_448.txt b/protein_pdb_448.txt new file mode 100644 index 0000000000000000000000000000000000000000..7ed2a16855e9e7d9fa3e4f145eb08c7ac78cfefb --- /dev/null +++ b/protein_pdb_448.txt @@ -0,0 +1,151 @@ +ATOM 1 N GLY A 1 6.718 12.554 -5.205 1.00 90.31 N +ATOM 2 CA GLY A 1 5.395 12.022 -5.149 1.00 90.84 C +ATOM 3 C GLY A 1 5.035 11.415 -3.816 1.00 91.33 C +ATOM 4 O GLY A 1 5.909 11.131 -2.992 1.00 89.68 O +ATOM 5 N PRO A 2 3.782 11.212 -3.614 1.00 90.31 N +ATOM 6 CA PRO A 2 3.306 10.632 -2.376 1.00 90.75 C +ATOM 7 C PRO A 2 3.545 9.128 -2.349 1.00 90.44 C +ATOM 8 O PRO A 2 3.873 8.518 -3.356 1.00 87.72 O +ATOM 9 CB PRO A 2 1.814 10.956 -2.415 1.00 88.21 C +ATOM 10 CG PRO A 2 1.499 10.940 -3.868 1.00 85.63 C +ATOM 11 CD PRO A 2 2.701 11.521 -4.542 1.00 87.17 C +HETATM 12 N HYP A 3 3.364 8.571 -1.148 1.00 91.45 N +HETATM 13 CA HYP A 3 3.491 7.128 -1.069 1.00 89.96 C +HETATM 14 C HYP A 3 2.510 6.437 -1.957 1.00 92.99 C +HETATM 15 O HYP A 3 1.407 6.972 -2.205 1.00 92.73 O +HETATM 16 CB HYP A 3 3.127 6.858 0.428 1.00 88.38 C +HETATM 17 CG HYP A 3 3.531 8.126 1.127 1.00 85.52 C +HETATM 18 CD HYP A 3 3.108 9.200 0.116 1.00 88.49 C +HETATM 19 OD1 HYP A 3 4.905 8.139 1.276 1.00 86.67 O +ATOM 20 N GLY A 4 2.922 5.304 -2.476 1.00 91.11 N +ATOM 21 CA GLY A 4 2.050 4.508 -3.288 1.00 91.08 C +ATOM 22 C GLY A 4 0.892 3.956 -2.480 1.00 91.33 C +ATOM 23 O GLY A 4 0.883 4.020 -1.249 1.00 91.15 O +ATOM 24 N PRO A 5 -0.099 3.400 -3.159 1.00 90.03 N +ATOM 25 CA PRO A 5 -1.260 2.861 -2.467 1.00 90.08 C +ATOM 26 C PRO A 5 -0.919 1.599 -1.701 1.00 89.71 C +ATOM 27 O PRO A 5 0.067 0.927 -1.988 1.00 87.69 O +ATOM 28 CB PRO A 5 -2.238 2.574 -3.600 1.00 89.01 C +ATOM 29 CG PRO A 5 -1.370 2.324 -4.772 1.00 87.49 C +ATOM 30 CD PRO A 5 -0.188 3.235 -4.603 1.00 88.92 C +HETATM 31 N HYP A 6 -1.779 1.305 -0.697 1.00 90.38 N +HETATM 32 CA HYP A 6 -1.597 0.073 0.018 1.00 91.78 C +HETATM 33 C HYP A 6 -1.733 -1.112 -0.882 1.00 91.95 C +HETATM 34 O HYP A 6 -2.466 -1.074 -1.889 1.00 92.93 O +HETATM 35 CB HYP A 6 -2.795 0.111 1.026 1.00 88.14 C +HETATM 36 CG HYP A 6 -3.083 1.572 1.196 1.00 87.70 C +HETATM 37 CD HYP A 6 -2.876 2.094 -0.198 1.00 90.77 C +HETATM 38 OD1 HYP A 6 -2.127 2.125 2.062 1.00 87.06 O +ATOM 39 N GLY A 7 -0.967 -2.118 -0.586 1.00 91.54 N +ATOM 40 CA GLY A 7 -1.071 -3.354 -1.315 1.00 91.57 C +ATOM 41 C GLY A 7 -2.438 -3.981 -1.117 1.00 92.22 C +ATOM 42 O GLY A 7 -3.196 -3.593 -0.230 1.00 91.94 O +ATOM 43 N PRO A 8 -2.765 -4.944 -1.938 1.00 91.22 N +ATOM 44 CA PRO A 8 -4.062 -5.586 -1.835 1.00 92.09 C +ATOM 45 C PRO A 8 -4.152 -6.491 -0.622 1.00 91.80 C +ATOM 46 O PRO A 8 -3.152 -7.012 -0.141 1.00 89.70 O +ATOM 47 CB PRO A 8 -4.159 -6.391 -3.127 1.00 90.34 C +ATOM 48 CG PRO A 8 -2.746 -6.717 -3.450 1.00 89.13 C +ATOM 49 CD PRO A 8 -1.952 -5.513 -3.013 1.00 91.17 C +HETATM 50 N HYP A 9 -5.407 -6.678 -0.147 1.00 90.35 N +HETATM 51 CA HYP A 9 -5.595 -7.577 0.937 1.00 89.65 C +HETATM 52 C HYP A 9 -5.460 -8.982 0.452 1.00 91.49 C +HETATM 53 O HYP A 9 -5.803 -9.327 -0.664 1.00 91.73 O +HETATM 54 CB HYP A 9 -7.130 -7.410 1.260 1.00 85.00 C +HETATM 55 CG HYP A 9 -7.509 -6.147 0.709 1.00 86.39 C +HETATM 56 CD HYP A 9 -6.663 -5.990 -0.484 1.00 89.94 C +HETATM 57 OD1 HYP A 9 -7.158 -5.141 1.632 1.00 86.55 O +ATOM 58 N GLY A 10 -4.902 -9.845 1.237 1.00 89.97 N +ATOM 59 CA GLY A 10 -5.030 -11.260 1.016 1.00 88.38 C +ATOM 60 C GLY A 10 -6.415 -11.694 1.466 1.00 88.21 C +ATOM 61 O GLY A 10 -7.155 -10.939 2.095 1.00 87.17 O +ATOM 62 N VAL A 11 -6.771 -12.901 1.178 1.00 90.07 N +ATOM 63 CA VAL A 11 -8.040 -13.419 1.668 1.00 90.60 C +ATOM 64 C VAL A 11 -7.926 -13.531 3.181 1.00 90.50 C +ATOM 65 O VAL A 11 -7.133 -14.321 3.692 1.00 88.66 O +ATOM 66 CB VAL A 11 -8.377 -14.772 1.032 1.00 88.65 C +ATOM 67 CG1 VAL A 11 -9.640 -15.346 1.652 1.00 82.80 C +ATOM 68 CG2 VAL A 11 -8.548 -14.615 -0.469 1.00 83.45 C +ATOM 69 N GLY A 12 -8.675 -12.701 3.878 1.00 91.04 N +ATOM 70 CA GLY A 12 -8.566 -12.630 5.321 1.00 91.31 C +ATOM 71 C GLY A 12 -7.291 -11.989 5.809 1.00 92.85 C +ATOM 72 O GLY A 12 -7.004 -12.033 7.006 1.00 89.28 O +ATOM 73 N GLY A 13 -6.535 -11.386 4.905 1.00 92.83 N +ATOM 74 CA GLY A 13 -5.258 -10.813 5.257 1.00 92.11 C +ATOM 75 C GLY A 13 -5.264 -9.304 5.235 1.00 93.06 C +ATOM 76 O GLY A 13 -6.155 -8.678 4.663 1.00 92.86 O +ATOM 77 N PRO A 14 -4.270 -8.706 5.853 1.00 93.52 N +ATOM 78 CA PRO A 14 -4.185 -7.254 5.919 1.00 93.47 C +ATOM 79 C PRO A 14 -3.752 -6.657 4.591 1.00 93.83 C +ATOM 80 O PRO A 14 -3.156 -7.330 3.755 1.00 92.02 O +ATOM 81 CB PRO A 14 -3.131 -7.010 6.990 1.00 91.93 C +ATOM 82 CG PRO A 14 -2.231 -8.184 6.869 1.00 90.89 C +ATOM 83 CD PRO A 14 -3.129 -9.345 6.529 1.00 91.94 C +HETATM 84 N HYP A 15 -4.061 -5.364 4.446 1.00 93.25 N +HETATM 85 CA HYP A 15 -3.542 -4.695 3.307 1.00 92.56 C +HETATM 86 C HYP A 15 -2.058 -4.654 3.329 1.00 95.06 C +HETATM 87 O HYP A 15 -1.438 -4.659 4.416 1.00 92.18 O +HETATM 88 CB HYP A 15 -4.136 -3.264 3.518 1.00 90.30 C +HETATM 89 CG HYP A 15 -5.383 -3.494 4.343 1.00 88.54 C +HETATM 90 CD HYP A 15 -4.975 -4.580 5.265 1.00 90.92 C +HETATM 91 OD1 HYP A 15 -6.432 -3.923 3.518 1.00 88.43 O +ATOM 92 N GLY A 16 -1.470 -4.668 2.163 1.00 93.62 N +ATOM 93 CA GLY A 16 -0.044 -4.515 2.070 1.00 93.56 C +ATOM 94 C GLY A 16 0.378 -3.123 2.494 1.00 94.11 C +ATOM 95 O GLY A 16 -0.445 -2.222 2.657 1.00 93.50 O +ATOM 96 N PRO A 17 1.670 -2.937 2.678 1.00 92.91 N +ATOM 97 CA PRO A 17 2.165 -1.630 3.082 1.00 93.08 C +ATOM 98 C PRO A 17 2.061 -0.627 1.942 1.00 93.10 C +ATOM 99 O PRO A 17 1.979 -0.996 0.777 1.00 91.82 O +ATOM 100 CB PRO A 17 3.616 -1.904 3.447 1.00 91.72 C +ATOM 101 CG PRO A 17 3.980 -3.077 2.620 1.00 90.00 C +ATOM 102 CD PRO A 17 2.740 -3.916 2.522 1.00 91.32 C +HETATM 103 N HYP A 18 2.057 0.681 2.311 1.00 88.45 N +HETATM 104 CA HYP A 18 2.105 1.664 1.314 1.00 89.58 C +HETATM 105 C HYP A 18 3.320 1.576 0.463 1.00 92.46 C +HETATM 106 O HYP A 18 4.394 1.146 0.935 1.00 90.66 O +HETATM 107 CB HYP A 18 2.113 2.973 2.136 1.00 86.92 C +HETATM 108 CG HYP A 18 1.418 2.594 3.429 1.00 85.22 C +HETATM 109 CD HYP A 18 1.926 1.188 3.652 1.00 89.93 C +HETATM 110 OD1 HYP A 18 0.022 2.560 3.218 1.00 86.38 O +ATOM 111 N GLY A 19 3.184 1.897 -0.788 1.00 89.64 N +ATOM 112 CA GLY A 19 4.306 1.924 -1.685 1.00 90.36 C +ATOM 113 C GLY A 19 5.274 3.030 -1.327 1.00 90.41 C +ATOM 114 O GLY A 19 4.987 3.887 -0.494 1.00 90.85 O +ATOM 115 N PRO A 20 6.426 3.013 -1.953 1.00 88.11 N +ATOM 116 CA PRO A 20 7.423 4.039 -1.680 1.00 89.08 C +ATOM 117 C PRO A 20 7.015 5.378 -2.270 1.00 88.21 C +ATOM 118 O PRO A 20 6.164 5.454 -3.147 1.00 86.96 O +ATOM 119 CB PRO A 20 8.674 3.488 -2.363 1.00 87.41 C +ATOM 120 CG PRO A 20 8.139 2.662 -3.472 1.00 86.03 C +ATOM 121 CD PRO A 20 6.867 2.054 -2.954 1.00 87.37 C +HETATM 122 N HYP A 21 7.629 6.436 -1.732 1.00 87.25 N +HETATM 123 CA HYP A 21 7.404 7.720 -2.296 1.00 89.37 C +HETATM 124 C HYP A 21 7.761 7.812 -3.749 1.00 88.07 C +HETATM 125 O HYP A 21 8.727 7.181 -4.174 1.00 90.74 O +HETATM 126 CB HYP A 21 8.260 8.672 -1.472 1.00 85.11 C +HETATM 127 CG HYP A 21 8.434 7.955 -0.174 1.00 82.57 C +HETATM 128 CD HYP A 21 8.507 6.515 -0.584 1.00 88.03 C +HETATM 129 OD1 HYP A 21 7.264 8.137 0.623 1.00 84.39 O +ATOM 130 N GLY A 22 6.958 8.503 -4.509 1.00 89.44 N +ATOM 131 CA GLY A 22 7.236 8.717 -5.899 1.00 88.09 C +ATOM 132 C GLY A 22 8.373 9.712 -6.081 1.00 87.23 C +ATOM 133 O GLY A 22 8.853 10.308 -5.112 1.00 86.37 O +ATOM 134 N PRO A 23 8.801 9.918 -7.318 1.00 89.52 N +ATOM 135 CA PRO A 23 9.868 10.872 -7.593 1.00 89.68 C +ATOM 136 C PRO A 23 9.333 12.295 -7.511 1.00 87.94 C +ATOM 137 O PRO A 23 8.637 12.750 -8.408 1.00 84.93 O +ATOM 138 CB PRO A 23 10.302 10.503 -9.006 1.00 86.97 C +ATOM 139 CG PRO A 23 9.073 9.931 -9.628 1.00 83.98 C +ATOM 140 CD PRO A 23 8.321 9.245 -8.514 1.00 86.51 C +HETATM 141 N HYP A 24 9.475 12.921 -6.397 1.00 92.86 N +HETATM 142 CA HYP A 24 8.706 14.022 -5.853 1.00 89.83 C +HETATM 143 C HYP A 24 7.378 13.833 -5.500 1.00 93.15 C +HETATM 144 O HYP A 24 6.483 14.526 -6.140 1.00 91.17 O +HETATM 145 CB HYP A 24 9.502 15.160 -5.599 1.00 89.26 C +HETATM 146 CG HYP A 24 10.726 14.901 -6.459 1.00 88.26 C +HETATM 147 CD HYP A 24 10.728 13.362 -6.715 1.00 91.08 C +HETATM 148 OD1 HYP A 24 11.908 15.272 -5.831 1.00 88.60 O +HETATM 149 OXT HYP A 24 7.060 14.101 -4.173 1.00 86.65 O +TER 150 HYP A 24 +END diff --git a/protein_pdb_449.txt b/protein_pdb_449.txt new file mode 100644 index 0000000000000000000000000000000000000000..56644a44f953f24659e57758dde700d7c83744a2 --- /dev/null +++ b/protein_pdb_449.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 8.630 -6.473 -10.651 1.00 91.41 N +ATOM 2 CA GLY A 1 7.710 -5.391 -10.893 1.00 93.44 C +ATOM 3 C GLY A 1 7.836 -4.296 -9.863 1.00 94.73 C +ATOM 4 O GLY A 1 8.527 -4.447 -8.861 1.00 93.62 O +ATOM 5 N PRO A 2 7.100 -3.167 -10.052 1.00 93.71 N +ATOM 6 CA PRO A 2 7.166 -2.043 -9.135 1.00 94.39 C +ATOM 7 C PRO A 2 6.409 -2.308 -7.851 1.00 94.43 C +ATOM 8 O PRO A 2 5.596 -3.227 -7.763 1.00 93.11 O +ATOM 9 CB PRO A 2 6.519 -0.913 -9.933 1.00 92.37 C +ATOM 10 CG PRO A 2 5.581 -1.606 -10.844 1.00 89.56 C +ATOM 11 CD PRO A 2 6.258 -2.890 -11.215 1.00 91.83 C +HETATM 12 N HYP A 3 6.704 -1.493 -6.872 1.00 93.17 N +HETATM 13 CA HYP A 3 5.972 -1.584 -5.609 1.00 92.25 C +HETATM 14 C HYP A 3 4.507 -1.323 -5.817 1.00 93.65 C +HETATM 15 O HYP A 3 4.122 -0.578 -6.736 1.00 93.83 O +HETATM 16 CB HYP A 3 6.614 -0.434 -4.785 1.00 91.23 C +HETATM 17 CG HYP A 3 8.000 -0.279 -5.363 1.00 87.49 C +HETATM 18 CD HYP A 3 7.754 -0.506 -6.867 1.00 90.47 C +HETATM 19 OD1 HYP A 3 8.819 -1.290 -4.863 1.00 90.37 O +ATOM 20 N GLY A 4 3.709 -1.981 -5.013 1.00 94.50 N +ATOM 21 CA GLY A 4 2.289 -1.782 -5.080 1.00 94.25 C +ATOM 22 C GLY A 4 1.907 -0.386 -4.632 1.00 94.94 C +ATOM 23 O GLY A 4 2.732 0.368 -4.113 1.00 95.09 O +ATOM 24 N PRO A 5 0.649 -0.020 -4.833 1.00 95.00 N +ATOM 25 CA PRO A 5 0.188 1.303 -4.439 1.00 95.18 C +ATOM 26 C PRO A 5 0.090 1.436 -2.930 1.00 95.01 C +ATOM 27 O PRO A 5 0.066 0.451 -2.205 1.00 93.88 O +ATOM 28 CB PRO A 5 -1.187 1.402 -5.095 1.00 94.06 C +ATOM 29 CG PRO A 5 -1.647 -0.006 -5.165 1.00 92.31 C +ATOM 30 CD PRO A 5 -0.420 -0.824 -5.428 1.00 94.16 C +HETATM 31 N HYP A 6 0.050 2.693 -2.488 1.00 94.29 N +HETATM 32 CA HYP A 6 -0.146 2.932 -1.084 1.00 95.95 C +HETATM 33 C HYP A 6 -1.430 2.349 -0.587 1.00 94.36 C +HETATM 34 O HYP A 6 -2.418 2.272 -1.348 1.00 94.46 O +HETATM 35 CB HYP A 6 -0.212 4.485 -1.039 1.00 92.31 C +HETATM 36 CG HYP A 6 0.599 4.930 -2.232 1.00 90.86 C +HETATM 37 CD HYP A 6 0.215 3.898 -3.270 1.00 93.11 C +HETATM 38 OD1 HYP A 6 1.963 4.807 -1.932 1.00 90.92 O +ATOM 39 N GLY A 7 -1.407 1.892 0.630 1.00 95.41 N +ATOM 40 CA GLY A 7 -2.593 1.363 1.236 1.00 95.26 C +ATOM 41 C GLY A 7 -3.636 2.443 1.439 1.00 95.82 C +ATOM 42 O GLY A 7 -3.386 3.627 1.222 1.00 95.95 O +ATOM 43 N PRO A 8 -4.819 2.040 1.851 1.00 96.02 N +ATOM 44 CA PRO A 8 -5.894 3.003 2.053 1.00 96.06 C +ATOM 45 C PRO A 8 -5.653 3.861 3.279 1.00 96.11 C +ATOM 46 O PRO A 8 -4.926 3.492 4.188 1.00 94.56 O +ATOM 47 CB PRO A 8 -7.129 2.121 2.230 1.00 94.79 C +ATOM 48 CG PRO A 8 -6.584 0.865 2.799 1.00 93.37 C +ATOM 49 CD PRO A 8 -5.240 0.670 2.153 1.00 95.33 C +HETATM 50 N HYP A 9 -6.302 5.012 3.278 1.00 93.37 N +HETATM 51 CA HYP A 9 -6.234 5.872 4.403 1.00 93.39 C +HETATM 52 C HYP A 9 -6.932 5.245 5.569 1.00 93.65 C +HETATM 53 O HYP A 9 -7.901 4.505 5.412 1.00 92.88 O +HETATM 54 CB HYP A 9 -7.049 7.119 3.940 1.00 90.93 C +HETATM 55 CG HYP A 9 -7.059 7.066 2.466 1.00 90.54 C +HETATM 56 CD HYP A 9 -7.045 5.629 2.152 1.00 92.26 C +HETATM 57 OD1 HYP A 9 -5.873 7.642 1.982 1.00 89.96 O +ATOM 58 N GLY A 10 -6.474 5.481 6.760 1.00 94.43 N +ATOM 59 CA GLY A 10 -7.240 5.151 7.938 1.00 93.43 C +ATOM 60 C GLY A 10 -8.403 6.115 8.053 1.00 93.85 C +ATOM 61 O GLY A 10 -8.551 7.045 7.261 1.00 93.04 O +ATOM 62 N ASP A 11 -9.230 5.905 9.064 1.00 94.49 N +ATOM 63 CA ASP A 11 -10.361 6.813 9.246 1.00 95.16 C +ATOM 64 C ASP A 11 -9.895 8.253 9.370 1.00 95.55 C +ATOM 65 O ASP A 11 -10.536 9.164 8.842 1.00 93.47 O +ATOM 66 CB ASP A 11 -11.161 6.423 10.484 1.00 93.56 C +ATOM 67 CG ASP A 11 -11.949 5.145 10.284 1.00 88.27 C +ATOM 68 OD1 ASP A 11 -12.268 4.797 9.129 1.00 86.33 O +ATOM 69 OD2 ASP A 11 -12.259 4.492 11.300 1.00 84.41 O +ATOM 70 N ASN A 12 -8.793 8.449 10.070 1.00 93.10 N +ATOM 71 CA ASN A 12 -8.215 9.777 10.249 1.00 94.86 C +ATOM 72 C ASN A 12 -6.698 9.703 10.200 1.00 94.78 C +ATOM 73 O ASN A 12 -6.010 10.365 10.978 1.00 91.99 O +ATOM 74 CB ASN A 12 -8.671 10.381 11.579 1.00 92.79 C +ATOM 75 CG ASN A 12 -10.156 10.641 11.617 1.00 88.06 C +ATOM 76 OD1 ASN A 12 -10.912 9.882 12.217 1.00 85.40 O +ATOM 77 ND2 ASN A 12 -10.581 11.721 10.985 1.00 80.36 N +ATOM 78 N GLY A 13 -6.169 8.901 9.297 1.00 95.11 N +ATOM 79 CA GLY A 13 -4.744 8.667 9.270 1.00 94.61 C +ATOM 80 C GLY A 13 -4.187 8.614 7.869 1.00 95.34 C +ATOM 81 O GLY A 13 -4.923 8.679 6.885 1.00 94.92 O +ATOM 82 N PRO A 14 -2.884 8.510 7.782 1.00 95.63 N +ATOM 83 CA PRO A 14 -2.215 8.490 6.490 1.00 95.57 C +ATOM 84 C PRO A 14 -2.452 7.181 5.757 1.00 95.81 C +ATOM 85 O PRO A 14 -2.883 6.191 6.339 1.00 94.74 O +ATOM 86 CB PRO A 14 -0.742 8.653 6.847 1.00 94.15 C +ATOM 87 CG PRO A 14 -0.637 8.045 8.196 1.00 92.85 C +ATOM 88 CD PRO A 14 -1.926 8.380 8.891 1.00 94.43 C +HETATM 89 N HYP A 15 -2.144 7.252 4.502 1.00 95.47 N +HETATM 90 CA HYP A 15 -2.186 6.038 3.689 1.00 95.36 C +HETATM 91 C HYP A 15 -1.208 5.022 4.180 1.00 96.38 C +HETATM 92 O HYP A 15 -0.185 5.380 4.801 1.00 94.87 O +HETATM 93 CB HYP A 15 -1.776 6.593 2.307 1.00 92.85 C +HETATM 94 CG HYP A 15 -2.163 8.056 2.334 1.00 90.73 C +HETATM 95 CD HYP A 15 -1.862 8.465 3.756 1.00 93.35 C +HETATM 96 OD1 HYP A 15 -3.529 8.203 2.091 1.00 91.04 O +ATOM 97 N GLY A 16 -1.535 3.783 3.980 1.00 96.23 N +ATOM 98 CA GLY A 16 -0.634 2.724 4.329 1.00 96.15 C +ATOM 99 C GLY A 16 0.590 2.733 3.443 1.00 96.64 C +ATOM 100 O GLY A 16 0.667 3.479 2.467 1.00 96.38 O +ATOM 101 N PRO A 17 1.558 1.903 3.792 1.00 95.41 N +ATOM 102 CA PRO A 17 2.781 1.844 3.005 1.00 95.55 C +ATOM 103 C PRO A 17 2.544 1.195 1.655 1.00 95.83 C +ATOM 104 O PRO A 17 1.555 0.500 1.448 1.00 94.81 O +ATOM 105 CB PRO A 17 3.713 1.005 3.873 1.00 94.16 C +ATOM 106 CG PRO A 17 2.795 0.142 4.653 1.00 92.24 C +ATOM 107 CD PRO A 17 1.577 0.975 4.916 1.00 94.19 C +HETATM 108 N HYP A 18 3.478 1.457 0.728 1.00 94.39 N +HETATM 109 CA HYP A 18 3.413 0.790 -0.519 1.00 93.96 C +HETATM 110 C HYP A 18 3.467 -0.690 -0.387 1.00 95.07 C +HETATM 111 O HYP A 18 4.061 -1.217 0.574 1.00 93.72 O +HETATM 112 CB HYP A 18 4.708 1.292 -1.229 1.00 91.28 C +HETATM 113 CG HYP A 18 4.980 2.638 -0.594 1.00 89.36 C +HETATM 114 CD HYP A 18 4.565 2.405 0.839 1.00 92.84 C +HETATM 115 OD1 HYP A 18 4.143 3.614 -1.181 1.00 91.53 O +ATOM 116 N GLY A 19 2.808 -1.370 -1.275 1.00 93.74 N +ATOM 117 CA GLY A 19 2.851 -2.802 -1.306 1.00 93.57 C +ATOM 118 C GLY A 19 4.228 -3.300 -1.677 1.00 94.14 C +ATOM 119 O GLY A 19 5.097 -2.536 -2.091 1.00 94.44 O +ATOM 120 N PRO A 20 4.433 -4.595 -1.539 1.00 92.50 N +ATOM 121 CA PRO A 20 5.725 -5.173 -1.878 1.00 92.97 C +ATOM 122 C PRO A 20 5.962 -5.151 -3.374 1.00 92.94 C +ATOM 123 O PRO A 20 5.031 -5.037 -4.165 1.00 92.37 O +ATOM 124 CB PRO A 20 5.621 -6.601 -1.349 1.00 91.15 C +ATOM 125 CG PRO A 20 4.170 -6.890 -1.381 1.00 88.64 C +ATOM 126 CD PRO A 20 3.483 -5.592 -1.067 1.00 90.91 C +HETATM 127 N HYP A 21 7.229 -5.267 -3.730 1.00 92.26 N +HETATM 128 CA HYP A 21 7.554 -5.341 -5.123 1.00 90.89 C +HETATM 129 C HYP A 21 6.905 -6.500 -5.814 1.00 92.95 C +HETATM 130 O HYP A 21 6.734 -7.560 -5.200 1.00 94.08 O +HETATM 131 CB HYP A 21 9.083 -5.532 -5.140 1.00 90.62 C +HETATM 132 CG HYP A 21 9.547 -4.966 -3.820 1.00 87.57 C +HETATM 133 CD HYP A 21 8.423 -5.312 -2.876 1.00 91.68 C +HETATM 134 OD1 HYP A 21 9.624 -3.539 -3.916 1.00 90.30 O +ATOM 135 N GLY A 22 6.440 -6.289 -7.012 1.00 91.94 N +ATOM 136 CA GLY A 22 5.891 -7.349 -7.798 1.00 90.25 C +ATOM 137 C GLY A 22 6.990 -8.276 -8.285 1.00 90.54 C +ATOM 138 O GLY A 22 8.175 -8.015 -8.090 1.00 90.34 O +ATOM 139 N PRO A 23 6.614 -9.363 -8.938 1.00 94.20 N +ATOM 140 CA PRO A 23 7.611 -10.283 -9.463 1.00 94.45 C +ATOM 141 C PRO A 23 8.373 -9.624 -10.599 1.00 93.60 C +ATOM 142 O PRO A 23 7.782 -9.029 -11.493 1.00 90.66 O +ATOM 143 CB PRO A 23 6.782 -11.466 -9.950 1.00 92.30 C +ATOM 144 CG PRO A 23 5.457 -10.879 -10.250 1.00 90.09 C +ATOM 145 CD PRO A 23 5.257 -9.779 -9.243 1.00 92.88 C +HETATM 146 N HYP A 24 9.603 -9.614 -10.548 1.00 94.57 N +HETATM 147 CA HYP A 24 10.378 -8.805 -11.501 1.00 90.13 C +HETATM 148 C HYP A 24 9.983 -7.453 -11.709 1.00 93.65 C +HETATM 149 O HYP A 24 10.765 -6.453 -11.379 1.00 92.60 O +HETATM 150 CB HYP A 24 11.526 -9.452 -11.921 1.00 90.36 C +HETATM 151 CG HYP A 24 11.321 -10.900 -11.473 1.00 89.08 C +HETATM 152 CD HYP A 24 10.196 -10.853 -10.394 1.00 93.06 C +HETATM 153 OD1 HYP A 24 12.475 -11.393 -10.877 1.00 88.66 O +HETATM 154 OXT HYP A 24 9.113 -7.222 -12.624 1.00 88.30 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_45.txt b/protein_pdb_45.txt new file mode 100644 index 0000000000000000000000000000000000000000..8a780545fd14c7e9ab13252f646e1702436468af --- /dev/null +++ b/protein_pdb_45.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -21.696 26.045 -8.946 1.00 86.91 N +ATOM 2 CA GLY A 1 -20.538 26.283 -8.091 1.00 89.94 C +ATOM 3 C GLY A 1 -19.265 25.741 -8.716 1.00 91.33 C +ATOM 4 O GLY A 1 -19.318 25.036 -9.717 1.00 88.26 O +ATOM 5 N PRO A 2 -18.108 26.028 -8.133 1.00 89.11 N +ATOM 6 CA PRO A 2 -16.835 25.538 -8.663 1.00 91.59 C +ATOM 7 C PRO A 2 -16.709 24.027 -8.485 1.00 91.83 C +ATOM 8 O PRO A 2 -17.395 23.427 -7.664 1.00 89.57 O +ATOM 9 CB PRO A 2 -15.790 26.289 -7.847 1.00 87.94 C +ATOM 10 CG PRO A 2 -16.479 26.550 -6.551 1.00 84.73 C +ATOM 11 CD PRO A 2 -17.914 26.820 -6.929 1.00 86.66 C +HETATM 12 N HYP A 3 -15.894 23.482 -9.255 1.00 94.37 N +HETATM 13 CA HYP A 3 -15.557 22.018 -9.133 1.00 93.05 C +HETATM 14 C HYP A 3 -15.073 21.691 -7.744 1.00 93.35 C +HETATM 15 O HYP A 3 -14.418 22.525 -7.077 1.00 92.69 O +HETATM 16 CB HYP A 3 -14.484 21.852 -10.186 1.00 91.98 C +HETATM 17 CG HYP A 3 -14.745 22.936 -11.210 1.00 91.56 C +HETATM 18 CD HYP A 3 -15.167 24.117 -10.317 1.00 92.91 C +HETATM 19 OD1 HYP A 3 -15.772 22.625 -12.083 1.00 91.80 O +ATOM 20 N GLY A 4 -15.417 20.475 -7.284 1.00 94.40 N +ATOM 21 CA GLY A 4 -15.001 20.031 -5.979 1.00 93.65 C +ATOM 22 C GLY A 4 -13.500 19.797 -5.926 1.00 93.94 C +ATOM 23 O GLY A 4 -12.821 19.781 -6.962 1.00 93.42 O +ATOM 24 N PRO A 5 -12.965 19.602 -4.724 1.00 94.70 N +ATOM 25 CA PRO A 5 -11.529 19.365 -4.575 1.00 94.58 C +ATOM 26 C PRO A 5 -11.153 17.981 -5.089 1.00 94.71 C +ATOM 27 O PRO A 5 -11.996 17.104 -5.228 1.00 93.98 O +ATOM 28 CB PRO A 5 -11.303 19.494 -3.070 1.00 92.05 C +ATOM 29 CG PRO A 5 -12.601 19.059 -2.493 1.00 89.80 C +ATOM 30 CD PRO A 5 -13.653 19.584 -3.443 1.00 92.35 C +HETATM 31 N HYP A 6 -9.910 17.834 -5.387 1.00 94.99 N +HETATM 32 CA HYP A 6 -9.370 16.465 -5.723 1.00 95.15 C +HETATM 33 C HYP A 6 -9.669 15.457 -4.671 1.00 93.56 C +HETATM 34 O HYP A 6 -9.717 15.812 -3.476 1.00 93.60 O +HETATM 35 CB HYP A 6 -7.876 16.777 -5.900 1.00 92.82 C +HETATM 36 CG HYP A 6 -7.815 18.240 -6.302 1.00 91.08 C +HETATM 37 CD HYP A 6 -8.931 18.850 -5.444 1.00 94.17 C +HETATM 38 OD1 HYP A 6 -8.105 18.427 -7.649 1.00 89.97 O +ATOM 39 N GLY A 7 -9.915 14.185 -5.065 1.00 96.41 N +ATOM 40 CA GLY A 7 -10.220 13.126 -4.146 1.00 95.96 C +ATOM 41 C GLY A 7 -9.045 12.799 -3.243 1.00 96.32 C +ATOM 42 O GLY A 7 -7.928 13.279 -3.459 1.00 96.01 O +ATOM 43 N PRO A 8 -9.279 11.961 -2.228 1.00 95.02 N +ATOM 44 CA PRO A 8 -8.214 11.578 -1.310 1.00 95.06 C +ATOM 45 C PRO A 8 -7.231 10.634 -1.977 1.00 95.31 C +ATOM 46 O PRO A 8 -7.517 10.040 -3.016 1.00 94.79 O +ATOM 47 CB PRO A 8 -8.964 10.897 -0.169 1.00 93.50 C +ATOM 48 CG PRO A 8 -10.155 10.315 -0.846 1.00 92.19 C +ATOM 49 CD PRO A 8 -10.541 11.336 -1.889 1.00 93.81 C +HETATM 50 N HYP A 9 -6.090 10.485 -1.393 1.00 94.77 N +HETATM 51 CA HYP A 9 -5.094 9.509 -1.851 1.00 94.99 C +HETATM 52 C HYP A 9 -5.634 8.110 -1.863 1.00 95.65 C +HETATM 53 O HYP A 9 -6.481 7.765 -1.018 1.00 93.54 O +HETATM 54 CB HYP A 9 -3.965 9.598 -0.745 1.00 92.73 C +HETATM 55 CG HYP A 9 -4.119 10.971 -0.201 1.00 91.05 C +HETATM 56 CD HYP A 9 -5.633 11.187 -0.246 1.00 93.98 C +HETATM 57 OD1 HYP A 9 -3.492 11.910 -1.061 1.00 88.67 O +ATOM 58 N GLY A 10 -5.199 7.301 -2.793 1.00 96.43 N +ATOM 59 CA GLY A 10 -5.634 5.929 -2.878 1.00 95.77 C +ATOM 60 C GLY A 10 -5.175 5.125 -1.672 1.00 95.93 C +ATOM 61 O GLY A 10 -4.387 5.603 -0.853 1.00 95.63 O +ATOM 62 N PRO A 11 -5.649 3.869 -1.557 1.00 95.09 N +ATOM 63 CA PRO A 11 -5.251 3.040 -0.426 1.00 94.66 C +ATOM 64 C PRO A 11 -3.776 2.668 -0.502 1.00 94.65 C +ATOM 65 O PRO A 11 -3.177 2.620 -1.573 1.00 92.50 O +ATOM 66 CB PRO A 11 -6.151 1.813 -0.551 1.00 93.06 C +ATOM 67 CG PRO A 11 -6.444 1.738 -2.004 1.00 92.29 C +ATOM 68 CD PRO A 11 -6.555 3.173 -2.452 1.00 93.70 C +ATOM 69 N GLN A 12 -3.202 2.389 0.661 1.00 93.30 N +ATOM 70 CA GLN A 12 -1.806 1.982 0.726 1.00 93.01 C +ATOM 71 C GLN A 12 -1.630 0.650 -0.003 1.00 93.78 C +ATOM 72 O GLN A 12 -2.507 -0.207 0.025 1.00 90.89 O +ATOM 73 CB GLN A 12 -1.372 1.855 2.186 1.00 90.18 C +ATOM 74 CG GLN A 12 0.100 1.538 2.364 1.00 83.49 C +ATOM 75 CD GLN A 12 0.539 1.596 3.810 1.00 78.22 C +ATOM 76 OE1 GLN A 12 -0.259 1.860 4.703 1.00 74.35 O +ATOM 77 NE2 GLN A 12 1.819 1.351 4.065 1.00 71.81 N +ATOM 78 N GLY A 13 -0.494 0.516 -0.673 1.00 95.36 N +ATOM 79 CA GLY A 13 -0.211 -0.707 -1.396 1.00 94.69 C +ATOM 80 C GLY A 13 -0.057 -1.908 -0.481 1.00 95.34 C +ATOM 81 O GLY A 13 0.044 -1.766 0.740 1.00 95.02 O +ATOM 82 N PRO A 14 -0.028 -3.119 -1.055 1.00 93.63 N +ATOM 83 CA PRO A 14 0.099 -4.329 -0.256 1.00 93.77 C +ATOM 84 C PRO A 14 1.494 -4.468 0.338 1.00 94.01 C +ATOM 85 O PRO A 14 2.444 -3.863 -0.146 1.00 92.95 O +ATOM 86 CB PRO A 14 -0.198 -5.451 -1.256 1.00 92.35 C +ATOM 87 CG PRO A 14 0.249 -4.881 -2.559 1.00 91.40 C +ATOM 88 CD PRO A 14 -0.128 -3.424 -2.483 1.00 92.26 C +HETATM 89 N HYP A 15 1.624 -5.291 1.369 1.00 90.17 N +HETATM 90 CA HYP A 15 2.903 -5.584 1.952 1.00 92.56 C +HETATM 91 C HYP A 15 3.857 -6.227 0.944 1.00 94.68 C +HETATM 92 O HYP A 15 3.384 -6.914 0.017 1.00 86.02 O +HETATM 93 CB HYP A 15 2.527 -6.607 3.053 1.00 91.43 C +HETATM 94 CG HYP A 15 1.098 -6.235 3.398 1.00 88.40 C +HETATM 95 CD HYP A 15 0.526 -5.892 2.065 1.00 90.64 C +HETATM 96 OD1 HYP A 15 1.030 -5.110 4.246 1.00 91.49 O +ATOM 97 N GLY A 16 5.104 -5.982 1.070 1.00 96.33 N +ATOM 98 CA GLY A 16 6.074 -6.592 0.199 1.00 95.85 C +ATOM 99 C GLY A 16 6.147 -8.095 0.447 1.00 96.34 C +ATOM 100 O GLY A 16 5.546 -8.614 1.394 1.00 96.06 O +ATOM 101 N PRO A 17 6.894 -8.813 -0.404 1.00 92.81 N +ATOM 102 CA PRO A 17 7.016 -10.261 -0.246 1.00 93.05 C +ATOM 103 C PRO A 17 7.836 -10.621 0.979 1.00 93.03 C +ATOM 104 O PRO A 17 8.596 -9.811 1.494 1.00 92.14 O +ATOM 105 CB PRO A 17 7.710 -10.692 -1.541 1.00 90.99 C +ATOM 106 CG PRO A 17 8.509 -9.498 -1.918 1.00 89.37 C +ATOM 107 CD PRO A 17 7.652 -8.322 -1.551 1.00 91.05 C +HETATM 108 N HYP A 18 7.695 -11.841 1.434 1.00 91.99 N +HETATM 109 CA HYP A 18 8.506 -12.339 2.524 1.00 93.06 C +HETATM 110 C HYP A 18 9.989 -12.249 2.224 1.00 93.07 C +HETATM 111 O HYP A 18 10.403 -12.442 1.062 1.00 92.09 O +HETATM 112 CB HYP A 18 8.055 -13.793 2.637 1.00 91.70 C +HETATM 113 CG HYP A 18 6.657 -13.841 2.083 1.00 91.09 C +HETATM 114 CD HYP A 18 6.712 -12.811 0.988 1.00 89.81 C +HETATM 115 OD1 HYP A 18 5.701 -13.431 3.032 1.00 91.78 O +ATOM 116 N GLY A 19 10.783 -11.934 3.226 1.00 91.94 N +ATOM 117 CA GLY A 19 12.204 -11.833 3.061 1.00 91.07 C +ATOM 118 C GLY A 19 12.809 -13.189 2.731 1.00 91.84 C +ATOM 119 O GLY A 19 12.146 -14.221 2.834 1.00 91.42 O +ATOM 120 N PRO A 20 14.093 -13.200 2.352 1.00 91.70 N +ATOM 121 CA PRO A 20 14.752 -14.460 2.013 1.00 91.47 C +ATOM 122 C PRO A 20 14.998 -15.298 3.254 1.00 91.24 C +ATOM 123 O PRO A 20 15.016 -14.790 4.370 1.00 89.48 O +ATOM 124 CB PRO A 20 16.055 -14.001 1.361 1.00 88.91 C +ATOM 125 CG PRO A 20 16.331 -12.694 2.021 1.00 86.75 C +ATOM 126 CD PRO A 20 14.980 -12.053 2.200 1.00 89.38 C +HETATM 127 N HYP A 21 15.221 -16.577 3.076 1.00 94.76 N +HETATM 128 CA HYP A 21 15.552 -17.468 4.158 1.00 93.29 C +HETATM 129 C HYP A 21 16.830 -17.064 4.870 1.00 94.75 C +HETATM 130 O HYP A 21 17.739 -16.504 4.230 1.00 93.02 O +HETATM 131 CB HYP A 21 15.777 -18.837 3.467 1.00 92.79 C +HETATM 132 CG HYP A 21 14.988 -18.770 2.187 1.00 91.81 C +HETATM 133 CD HYP A 21 15.107 -17.300 1.812 1.00 94.06 C +HETATM 134 OD1 HYP A 21 13.616 -19.056 2.435 1.00 90.78 O +ATOM 135 N GLY A 22 16.911 -17.230 6.152 1.00 89.44 N +ATOM 136 CA GLY A 22 18.095 -16.909 6.907 1.00 88.45 C +ATOM 137 C GLY A 22 19.248 -17.808 6.479 1.00 89.14 C +ATOM 138 O GLY A 22 19.065 -18.781 5.744 1.00 87.41 O +ATOM 139 N PRO A 23 20.469 -17.528 6.963 1.00 91.40 N +ATOM 140 CA PRO A 23 21.618 -18.343 6.596 1.00 91.55 C +ATOM 141 C PRO A 23 21.509 -19.736 7.200 1.00 91.10 C +ATOM 142 O PRO A 23 20.863 -19.933 8.223 1.00 87.58 O +ATOM 143 CB PRO A 23 22.804 -17.563 7.165 1.00 87.90 C +ATOM 144 CG PRO A 23 22.220 -16.798 8.287 1.00 84.36 C +ATOM 145 CD PRO A 23 20.828 -16.433 7.849 1.00 87.28 C +HETATM 146 N HYP A 24 22.179 -20.733 6.641 1.00 91.97 N +HETATM 147 CA HYP A 24 22.090 -22.080 7.153 1.00 87.83 C +HETATM 148 C HYP A 24 22.568 -22.165 8.573 1.00 89.85 C +HETATM 149 O HYP A 24 23.567 -21.484 8.903 1.00 87.54 O +HETATM 150 CB HYP A 24 23.028 -22.942 6.247 1.00 91.09 C +HETATM 151 CG HYP A 24 23.207 -22.123 4.996 1.00 88.72 C +HETATM 152 CD HYP A 24 23.044 -20.660 5.463 1.00 90.67 C +HETATM 153 OD1 HYP A 24 22.147 -22.419 4.102 1.00 85.65 O +HETATM 154 OXT HYP A 24 21.930 -22.923 9.328 1.00 84.21 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_450.txt b/protein_pdb_450.txt new file mode 100644 index 0000000000000000000000000000000000000000..23424afa29ce3ca5408b8e7ca47356224e1dbf2d --- /dev/null +++ b/protein_pdb_450.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 21.007 -25.650 -12.834 1.00 90.73 N +ATOM 2 CA GLY A 1 21.346 -24.251 -13.094 1.00 92.54 C +ATOM 3 C GLY A 1 20.990 -23.366 -11.919 1.00 92.94 C +ATOM 4 O GLY A 1 20.346 -23.816 -10.972 1.00 89.91 O +ATOM 5 N PRO A 2 21.382 -22.095 -11.936 1.00 94.63 N +ATOM 6 CA PRO A 2 21.079 -21.177 -10.842 1.00 95.48 C +ATOM 7 C PRO A 2 19.591 -20.832 -10.798 1.00 95.73 C +ATOM 8 O PRO A 2 18.903 -20.897 -11.802 1.00 94.19 O +ATOM 9 CB PRO A 2 21.931 -19.945 -11.148 1.00 93.83 C +ATOM 10 CG PRO A 2 22.046 -19.968 -12.631 1.00 90.68 C +ATOM 11 CD PRO A 2 22.152 -21.433 -12.988 1.00 92.49 C +HETATM 12 N HYP A 3 19.127 -20.516 -9.665 1.00 96.46 N +HETATM 13 CA HYP A 3 17.748 -20.028 -9.463 1.00 94.89 C +HETATM 14 C HYP A 3 17.408 -18.792 -10.269 1.00 96.88 C +HETATM 15 O HYP A 3 18.281 -17.938 -10.523 1.00 94.82 O +HETATM 16 CB HYP A 3 17.699 -19.772 -7.984 1.00 93.20 C +HETATM 17 CG HYP A 3 18.796 -20.600 -7.358 1.00 92.33 C +HETATM 18 CD HYP A 3 19.881 -20.554 -8.425 1.00 95.66 C +HETATM 19 OD1 HYP A 3 18.407 -21.909 -7.119 1.00 93.61 O +ATOM 20 N GLY A 4 16.154 -18.663 -10.682 1.00 95.52 N +ATOM 21 CA GLY A 4 15.713 -17.499 -11.410 1.00 95.08 C +ATOM 22 C GLY A 4 15.586 -16.300 -10.477 1.00 95.22 C +ATOM 23 O GLY A 4 15.658 -16.445 -9.256 1.00 94.66 O +ATOM 24 N PRO A 5 15.390 -15.104 -11.036 1.00 96.31 N +ATOM 25 CA PRO A 5 15.279 -13.900 -10.209 1.00 96.26 C +ATOM 26 C PRO A 5 13.971 -13.875 -9.429 1.00 96.41 C +ATOM 27 O PRO A 5 12.978 -14.467 -9.838 1.00 95.62 O +ATOM 28 CB PRO A 5 15.357 -12.765 -11.227 1.00 95.10 C +ATOM 29 CG PRO A 5 14.783 -13.373 -12.463 1.00 92.94 C +ATOM 30 CD PRO A 5 15.282 -14.803 -12.452 1.00 94.53 C +HETATM 31 N HYP A 6 13.971 -13.203 -8.319 1.00 95.96 N +HETATM 32 CA HYP A 6 12.732 -12.960 -7.522 1.00 94.99 C +HETATM 33 C HYP A 6 11.671 -12.211 -8.274 1.00 94.47 C +HETATM 34 O HYP A 6 11.995 -11.399 -9.190 1.00 94.38 O +HETATM 35 CB HYP A 6 13.242 -12.162 -6.326 1.00 91.49 C +HETATM 36 CG HYP A 6 14.706 -12.497 -6.198 1.00 89.34 C +HETATM 37 CD HYP A 6 15.108 -12.682 -7.647 1.00 93.32 C +HETATM 38 OD1 HYP A 6 14.885 -13.696 -5.489 1.00 92.93 O +ATOM 39 N GLY A 7 10.407 -12.425 -7.947 1.00 95.62 N +ATOM 40 CA GLY A 7 9.314 -11.723 -8.575 1.00 95.09 C +ATOM 41 C GLY A 7 9.275 -10.270 -8.134 1.00 95.54 C +ATOM 42 O GLY A 7 9.988 -9.863 -7.215 1.00 95.09 O +ATOM 43 N PRO A 8 8.428 -9.463 -8.780 1.00 95.30 N +ATOM 44 CA PRO A 8 8.327 -8.049 -8.432 1.00 95.29 C +ATOM 45 C PRO A 8 7.679 -7.849 -7.063 1.00 95.11 C +ATOM 46 O PRO A 8 6.893 -8.676 -6.616 1.00 94.15 O +ATOM 47 CB PRO A 8 7.477 -7.461 -9.555 1.00 94.11 C +ATOM 48 CG PRO A 8 6.636 -8.618 -9.979 1.00 92.92 C +ATOM 49 CD PRO A 8 7.545 -9.824 -9.867 1.00 94.35 C +HETATM 50 N HYP A 9 7.963 -6.743 -6.394 1.00 94.55 N +HETATM 51 CA HYP A 9 7.359 -6.390 -5.124 1.00 93.35 C +HETATM 52 C HYP A 9 5.865 -6.134 -5.239 1.00 94.55 C +HETATM 53 O HYP A 9 5.374 -5.683 -6.300 1.00 92.59 O +HETATM 54 CB HYP A 9 8.045 -5.010 -4.739 1.00 93.11 C +HETATM 55 CG HYP A 9 9.367 -5.082 -5.440 1.00 90.76 C +HETATM 56 CD HYP A 9 9.029 -5.830 -6.719 1.00 92.18 C +HETATM 57 OD1 HYP A 9 10.270 -5.833 -4.663 1.00 90.66 O +ATOM 58 N GLY A 10 5.147 -6.385 -4.161 1.00 94.90 N +ATOM 59 CA GLY A 10 3.734 -6.095 -4.115 1.00 93.27 C +ATOM 60 C GLY A 10 3.490 -4.597 -4.169 1.00 92.90 C +ATOM 61 O GLY A 10 4.369 -3.794 -3.851 1.00 91.60 O +ATOM 62 N LYS A 11 2.270 -4.207 -4.565 1.00 92.79 N +ATOM 63 CA LYS A 11 1.915 -2.795 -4.659 1.00 91.65 C +ATOM 64 C LYS A 11 1.557 -2.236 -3.272 1.00 90.14 C +ATOM 65 O LYS A 11 1.049 -2.950 -2.418 1.00 88.31 O +ATOM 66 CB LYS A 11 0.744 -2.598 -5.615 1.00 88.18 C +ATOM 67 CG LYS A 11 1.087 -2.948 -7.052 1.00 83.91 C +ATOM 68 CD LYS A 11 -0.095 -2.746 -7.984 1.00 80.99 C +ATOM 69 CE LYS A 11 0.270 -3.100 -9.413 1.00 74.89 C +ATOM 70 NZ LYS A 11 -0.887 -2.935 -10.330 1.00 69.87 N +ATOM 71 N TYR A 12 1.824 -0.940 -3.068 1.00 93.12 N +ATOM 72 CA TYR A 12 1.506 -0.263 -1.814 1.00 92.70 C +ATOM 73 C TYR A 12 -0.017 -0.276 -1.640 1.00 92.95 C +ATOM 74 O TYR A 12 -0.763 -0.101 -2.612 1.00 90.67 O +ATOM 75 CB TYR A 12 2.024 1.179 -1.861 1.00 91.02 C +ATOM 76 CG TYR A 12 2.248 1.810 -0.499 1.00 85.70 C +ATOM 77 CD1 TYR A 12 3.382 1.504 0.243 1.00 82.38 C +ATOM 78 CD2 TYR A 12 1.339 2.722 0.032 1.00 80.44 C +ATOM 79 CE1 TYR A 12 3.602 2.083 1.491 1.00 78.51 C +ATOM 80 CE2 TYR A 12 1.548 3.300 1.278 1.00 78.34 C +ATOM 81 CZ TYR A 12 2.679 2.986 2.003 1.00 79.02 C +ATOM 82 OH TYR A 12 2.897 3.567 3.241 1.00 78.50 O +ATOM 83 N GLY A 13 -0.454 -0.518 -0.413 1.00 94.39 N +ATOM 84 CA GLY A 13 -1.879 -0.596 -0.146 1.00 93.58 C +ATOM 85 C GLY A 13 -2.600 0.724 -0.334 1.00 94.00 C +ATOM 86 O GLY A 13 -1.964 1.783 -0.398 1.00 93.54 O +ATOM 87 N PRO A 14 -3.943 0.706 -0.416 1.00 94.60 N +ATOM 88 CA PRO A 14 -4.715 1.929 -0.594 1.00 95.07 C +ATOM 89 C PRO A 14 -4.696 2.786 0.667 1.00 95.52 C +ATOM 90 O PRO A 14 -4.496 2.275 1.768 1.00 94.55 O +ATOM 91 CB PRO A 14 -6.121 1.427 -0.912 1.00 93.69 C +ATOM 92 CG PRO A 14 -6.183 0.113 -0.213 1.00 92.64 C +ATOM 93 CD PRO A 14 -4.801 -0.473 -0.383 1.00 93.76 C +HETATM 94 N HYP A 15 -4.916 4.080 0.530 1.00 93.15 N +HETATM 95 CA HYP A 15 -5.038 5.007 1.651 1.00 91.78 C +HETATM 96 C HYP A 15 -6.161 4.664 2.610 1.00 95.49 C +HETATM 97 O HYP A 15 -7.150 4.031 2.192 1.00 87.19 O +HETATM 98 CB HYP A 15 -5.262 6.337 0.961 1.00 91.01 C +HETATM 99 CG HYP A 15 -4.607 6.168 -0.391 1.00 88.06 C +HETATM 100 CD HYP A 15 -4.933 4.738 -0.711 1.00 88.53 C +HETATM 101 OD1 HYP A 15 -3.218 6.340 -0.355 1.00 90.61 O +ATOM 102 N GLY A 16 -6.023 5.008 3.828 1.00 94.94 N +ATOM 103 CA GLY A 16 -7.065 4.780 4.794 1.00 94.07 C +ATOM 104 C GLY A 16 -8.251 5.695 4.540 1.00 94.44 C +ATOM 105 O GLY A 16 -8.177 6.621 3.729 1.00 94.27 O +ATOM 106 N PRO A 17 -9.373 5.455 5.241 1.00 93.63 N +ATOM 107 CA PRO A 17 -10.570 6.270 5.051 1.00 93.67 C +ATOM 108 C PRO A 17 -10.401 7.670 5.615 1.00 93.61 C +ATOM 109 O PRO A 17 -9.623 7.889 6.534 1.00 92.31 O +ATOM 110 CB PRO A 17 -11.646 5.487 5.786 1.00 91.72 C +ATOM 111 CG PRO A 17 -10.891 4.793 6.863 1.00 89.72 C +ATOM 112 CD PRO A 17 -9.587 4.393 6.221 1.00 91.61 C +HETATM 113 N HYP A 18 -11.133 8.630 5.109 1.00 94.38 N +HETATM 114 CA HYP A 18 -11.177 9.991 5.622 1.00 94.77 C +HETATM 115 C HYP A 18 -11.734 10.072 7.039 1.00 94.67 C +HETATM 116 O HYP A 18 -12.534 9.202 7.468 1.00 93.02 O +HETATM 117 CB HYP A 18 -12.097 10.698 4.647 1.00 93.55 C +HETATM 118 CG HYP A 18 -12.018 9.931 3.384 1.00 91.49 C +HETATM 119 CD HYP A 18 -11.857 8.521 3.880 1.00 93.08 C +HETATM 120 OD1 HYP A 18 -10.899 10.309 2.614 1.00 92.08 O +ATOM 121 N GLY A 19 -11.326 11.051 7.769 1.00 94.73 N +ATOM 122 CA GLY A 19 -11.815 11.247 9.104 1.00 94.08 C +ATOM 123 C GLY A 19 -13.273 11.677 9.090 1.00 94.34 C +ATOM 124 O GLY A 19 -13.840 11.964 8.034 1.00 93.94 O +ATOM 125 N PRO A 20 -13.903 11.748 10.270 1.00 93.41 N +ATOM 126 CA PRO A 20 -15.309 12.132 10.347 1.00 92.67 C +ATOM 127 C PRO A 20 -15.512 13.612 10.043 1.00 92.61 C +ATOM 128 O PRO A 20 -14.602 14.421 10.216 1.00 90.48 O +ATOM 129 CB PRO A 20 -15.677 11.796 11.798 1.00 90.26 C +ATOM 130 CG PRO A 20 -14.393 11.943 12.526 1.00 88.10 C +ATOM 131 CD PRO A 20 -13.349 11.420 11.574 1.00 90.80 C +HETATM 132 N HYP A 21 -16.696 14.020 9.638 1.00 95.55 N +HETATM 133 CA HYP A 21 -17.058 15.384 9.375 1.00 94.47 C +HETATM 134 C HYP A 21 -17.081 16.273 10.622 1.00 96.08 C +HETATM 135 O HYP A 21 -17.323 15.756 11.731 1.00 94.48 O +HETATM 136 CB HYP A 21 -18.522 15.296 8.864 1.00 93.47 C +HETATM 137 CG HYP A 21 -18.639 13.930 8.269 1.00 92.77 C +HETATM 138 CD HYP A 21 -17.748 13.113 9.181 1.00 94.64 C +HETATM 139 OD1 HYP A 21 -18.114 13.912 6.962 1.00 91.83 O +ATOM 140 N GLY A 22 -16.801 17.520 10.493 1.00 92.82 N +ATOM 141 CA GLY A 22 -16.852 18.437 11.604 1.00 92.26 C +ATOM 142 C GLY A 22 -18.300 18.684 12.015 1.00 92.93 C +ATOM 143 O GLY A 22 -19.230 18.240 11.333 1.00 91.57 O +ATOM 144 N PRO A 23 -18.536 19.433 13.108 1.00 91.92 N +ATOM 145 CA PRO A 23 -19.897 19.694 13.566 1.00 92.06 C +ATOM 146 C PRO A 23 -20.626 20.643 12.640 1.00 91.70 C +ATOM 147 O PRO A 23 -20.009 21.465 11.962 1.00 88.10 O +ATOM 148 CB PRO A 23 -19.688 20.305 14.951 1.00 88.77 C +ATOM 149 CG PRO A 23 -18.359 20.963 14.846 1.00 85.38 C +ATOM 150 CD PRO A 23 -17.538 20.023 13.987 1.00 89.56 C +HETATM 151 N HYP A 24 -22.005 20.610 12.633 1.00 94.17 N +HETATM 152 CA HYP A 24 -22.714 21.538 11.745 1.00 90.60 C +HETATM 153 C HYP A 24 -22.653 22.965 12.357 1.00 92.97 C +HETATM 154 O HYP A 24 -23.316 23.871 11.962 1.00 91.13 O +HETATM 155 CB HYP A 24 -24.235 21.090 11.944 1.00 92.71 C +HETATM 156 CG HYP A 24 -24.187 19.694 12.425 1.00 90.63 C +HETATM 157 CD HYP A 24 -22.898 19.620 13.231 1.00 92.52 C +HETATM 158 OD1 HYP A 24 -24.090 18.835 11.330 1.00 85.59 O +HETATM 159 OXT HYP A 24 -21.883 23.141 13.264 1.00 87.90 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_451.txt b/protein_pdb_451.txt new file mode 100644 index 0000000000000000000000000000000000000000..1a606915fa6fbeb852eae8aa2402d877d2daf404 --- /dev/null +++ b/protein_pdb_451.txt @@ -0,0 +1,1748 @@ +ATOM 1 N GLY A 1 11.662 -33.206 -22.161 1.00 45.81 N +ATOM 2 CA GLY A 1 12.649 -34.193 -21.698 1.00 53.48 C +ATOM 3 C GLY A 1 13.753 -34.247 -22.729 1.00 52.18 C +ATOM 4 O GLY A 1 13.426 -34.413 -23.892 1.00 49.90 O +ATOM 5 N GLN A 2 14.988 -33.967 -22.303 1.00 57.20 N +ATOM 6 CA GLN A 2 16.151 -34.230 -23.141 1.00 63.20 C +ATOM 7 C GLN A 2 16.773 -35.511 -22.612 1.00 60.93 C +ATOM 8 O GLN A 2 17.102 -35.582 -21.426 1.00 57.73 O +ATOM 9 CB GLN A 2 17.142 -33.059 -23.104 1.00 61.18 C +ATOM 10 CG GLN A 2 16.656 -31.863 -23.943 1.00 55.00 C +ATOM 11 CD GLN A 2 17.626 -30.689 -23.930 1.00 49.68 C +ATOM 12 OE1 GLN A 2 18.654 -30.679 -23.276 1.00 48.37 O +ATOM 13 NE2 GLN A 2 17.344 -29.611 -24.643 1.00 45.38 N +ATOM 14 N ASP A 3 16.865 -36.522 -23.461 1.00 53.45 N +ATOM 15 CA ASP A 3 17.441 -37.810 -23.109 1.00 61.57 C +ATOM 16 C ASP A 3 18.931 -37.633 -22.800 1.00 58.03 C +ATOM 17 O ASP A 3 19.705 -37.119 -23.609 1.00 54.00 O +ATOM 18 CB ASP A 3 17.200 -38.810 -24.255 1.00 59.68 C +ATOM 19 CG ASP A 3 15.712 -39.108 -24.446 1.00 53.38 C +ATOM 20 OD1 ASP A 3 15.003 -39.241 -23.414 1.00 49.92 O +ATOM 21 OD2 ASP A 3 15.273 -39.148 -25.620 1.00 46.95 O +ATOM 22 N GLY A 4 19.326 -38.021 -21.599 1.00 50.85 N +ATOM 23 CA GLY A 4 20.719 -38.021 -21.183 1.00 53.65 C +ATOM 24 C GLY A 4 21.545 -38.927 -22.086 1.00 52.93 C +ATOM 25 O GLY A 4 21.176 -40.069 -22.338 1.00 50.84 O +ATOM 26 N ARG A 5 22.668 -38.404 -22.581 1.00 55.37 N +ATOM 27 CA ARG A 5 23.621 -39.174 -23.376 1.00 63.03 C +ATOM 28 C ARG A 5 24.180 -40.308 -22.522 1.00 60.22 C +ATOM 29 O ARG A 5 24.697 -40.053 -21.432 1.00 58.74 O +ATOM 30 CB ARG A 5 24.745 -38.278 -23.900 1.00 61.47 C +ATOM 31 CG ARG A 5 24.244 -37.231 -24.926 1.00 55.55 C +ATOM 32 CD ARG A 5 25.408 -36.368 -25.408 1.00 53.08 C +ATOM 33 NE ARG A 5 24.952 -35.315 -26.339 1.00 50.40 N +ATOM 34 CZ ARG A 5 25.709 -34.371 -26.880 1.00 44.94 C +ATOM 35 NH1 ARG A 5 26.986 -34.286 -26.631 1.00 45.40 N +ATOM 36 NH2 ARG A 5 25.188 -33.479 -27.678 1.00 45.02 N +ATOM 37 N ASN A 6 24.076 -41.532 -23.011 1.00 59.47 N +ATOM 38 CA ASN A 6 24.722 -42.681 -22.375 1.00 65.93 C +ATOM 39 C ASN A 6 26.228 -42.417 -22.247 1.00 63.38 C +ATOM 40 O ASN A 6 26.886 -42.115 -23.246 1.00 58.86 O +ATOM 41 CB ASN A 6 24.454 -43.949 -23.197 1.00 61.72 C +ATOM 42 CG ASN A 6 23.051 -44.507 -23.005 1.00 55.78 C +ATOM 43 OD1 ASN A 6 22.420 -44.321 -21.983 1.00 52.49 O +ATOM 44 ND2 ASN A 6 22.535 -45.230 -23.962 1.00 49.37 N +ATOM 45 N GLY A 7 26.747 -42.512 -21.031 1.00 54.86 N +ATOM 46 CA GLY A 7 28.182 -42.406 -20.774 1.00 57.20 C +ATOM 47 C GLY A 7 28.966 -43.469 -21.551 1.00 56.82 C +ATOM 48 O GLY A 7 28.486 -44.587 -21.739 1.00 54.70 O +ATOM 49 N GLU A 8 30.155 -43.088 -21.999 1.00 52.52 N +ATOM 50 CA GLU A 8 31.042 -43.978 -22.744 1.00 59.90 C +ATOM 51 C GLU A 8 31.367 -45.224 -21.923 1.00 57.74 C +ATOM 52 O GLU A 8 31.609 -45.175 -20.713 1.00 56.29 O +ATOM 53 CB GLU A 8 32.320 -43.242 -23.182 1.00 58.98 C +ATOM 54 CG GLU A 8 32.004 -42.138 -24.222 1.00 53.78 C +ATOM 55 CD GLU A 8 33.260 -41.430 -24.750 1.00 50.06 C +ATOM 56 OE1 GLU A 8 33.138 -40.818 -25.840 1.00 47.42 O +ATOM 57 OE2 GLU A 8 34.304 -41.481 -24.073 1.00 47.69 O +ATOM 58 N ARG A 9 31.328 -46.379 -22.589 1.00 61.68 N +ATOM 59 CA ARG A 9 31.645 -47.667 -21.966 1.00 68.27 C +ATOM 60 C ARG A 9 33.112 -47.652 -21.548 1.00 64.75 C +ATOM 61 O ARG A 9 33.993 -47.599 -22.397 1.00 59.84 O +ATOM 62 CB ARG A 9 31.307 -48.796 -22.964 1.00 65.00 C +ATOM 63 CG ARG A 9 31.618 -50.192 -22.400 1.00 59.36 C +ATOM 64 CD ARG A 9 31.297 -51.299 -23.420 1.00 58.42 C +ATOM 65 NE ARG A 9 29.851 -51.614 -23.496 1.00 54.47 N +ATOM 66 CZ ARG A 9 29.278 -52.481 -24.313 1.00 49.66 C +ATOM 67 NH1 ARG A 9 29.953 -53.134 -25.217 1.00 49.46 N +ATOM 68 NH2 ARG A 9 27.998 -52.716 -24.234 1.00 48.16 N +ATOM 69 N GLY A 10 33.378 -47.727 -20.246 1.00 59.88 N +ATOM 70 CA GLY A 10 34.740 -47.776 -19.717 1.00 61.98 C +ATOM 71 C GLY A 10 35.541 -48.952 -20.281 1.00 61.41 C +ATOM 72 O GLY A 10 34.977 -50.022 -20.552 1.00 59.56 O +ATOM 73 N GLU A 11 36.863 -48.743 -20.438 1.00 55.08 N +ATOM 74 CA GLU A 11 37.785 -49.721 -21.007 1.00 62.36 C +ATOM 75 C GLU A 11 37.761 -51.041 -20.236 1.00 59.11 C +ATOM 76 O GLU A 11 37.666 -51.099 -19.006 1.00 57.85 O +ATOM 77 CB GLU A 11 39.214 -49.165 -21.057 1.00 61.51 C +ATOM 78 CG GLU A 11 39.367 -47.978 -22.034 1.00 56.46 C +ATOM 79 CD GLU A 11 40.826 -47.511 -22.173 1.00 53.71 C +ATOM 80 OE1 GLU A 11 41.131 -46.885 -23.214 1.00 50.62 O +ATOM 81 OE2 GLU A 11 41.623 -47.792 -21.252 1.00 50.80 O +ATOM 82 N GLN A 12 37.831 -52.128 -20.969 1.00 66.95 N +ATOM 83 CA GLN A 12 37.858 -53.463 -20.399 1.00 72.38 C +ATOM 84 C GLN A 12 39.147 -53.667 -19.594 1.00 69.87 C +ATOM 85 O GLN A 12 40.248 -53.615 -20.130 1.00 64.23 O +ATOM 86 CB GLN A 12 37.689 -54.489 -21.534 1.00 69.93 C +ATOM 87 CG GLN A 12 37.559 -55.935 -21.034 1.00 65.56 C +ATOM 88 CD GLN A 12 37.233 -56.925 -22.159 1.00 62.05 C +ATOM 89 OE1 GLN A 12 37.036 -56.585 -23.315 1.00 59.68 O +ATOM 90 NE2 GLN A 12 37.134 -58.199 -21.868 1.00 55.27 N +ATOM 91 N GLY A 13 38.992 -53.903 -18.285 1.00 65.87 N +ATOM 92 CA GLY A 13 40.142 -54.119 -17.408 1.00 67.66 C +ATOM 93 C GLY A 13 40.995 -55.333 -17.816 1.00 67.43 C +ATOM 94 O GLY A 13 40.477 -56.274 -18.423 1.00 65.28 O +ATOM 95 N PRO A 14 42.313 -55.351 -17.439 1.00 60.87 N +ATOM 96 CA PRO A 14 43.235 -56.407 -17.826 1.00 65.74 C +ATOM 97 C PRO A 14 42.785 -57.774 -17.304 1.00 62.74 C +ATOM 98 O PRO A 14 42.269 -57.909 -16.190 1.00 60.91 O +ATOM 99 CB PRO A 14 44.615 -55.993 -17.287 1.00 65.84 C +ATOM 100 CG PRO A 14 44.273 -55.072 -16.121 1.00 64.19 C +ATOM 101 CD PRO A 14 42.992 -54.376 -16.587 1.00 65.59 C +ATOM 102 N THR A 15 43.011 -58.797 -18.111 1.00 67.65 N +ATOM 103 CA THR A 15 42.659 -60.178 -17.773 1.00 71.53 C +ATOM 104 C THR A 15 43.501 -60.663 -16.584 1.00 68.06 C +ATOM 105 O THR A 15 44.717 -60.564 -16.608 1.00 64.09 O +ATOM 106 CB THR A 15 42.843 -61.081 -18.999 1.00 70.13 C +ATOM 107 OG1 THR A 15 42.488 -60.438 -20.202 1.00 66.12 O +ATOM 108 CG2 THR A 15 41.925 -62.305 -18.931 1.00 64.95 C +ATOM 109 N GLY A 16 42.835 -61.192 -15.545 1.00 62.57 N +ATOM 110 CA GLY A 16 43.514 -61.675 -14.336 1.00 64.64 C +ATOM 111 C GLY A 16 44.532 -62.793 -14.610 1.00 64.24 C +ATOM 112 O GLY A 16 44.418 -63.497 -15.619 1.00 62.42 O +ATOM 113 N PRO A 17 45.548 -62.990 -13.713 1.00 59.98 N +ATOM 114 CA PRO A 17 46.596 -63.994 -13.896 1.00 64.40 C +ATOM 115 C PRO A 17 46.030 -65.421 -13.900 1.00 61.12 C +ATOM 116 O PRO A 17 45.030 -65.723 -13.250 1.00 59.44 O +ATOM 117 CB PRO A 17 47.601 -63.753 -12.763 1.00 64.90 C +ATOM 118 CG PRO A 17 46.763 -63.098 -11.670 1.00 64.05 C +ATOM 119 CD PRO A 17 45.750 -62.270 -12.452 1.00 65.76 C +ATOM 120 N THR A 18 46.684 -66.295 -14.624 1.00 63.25 N +ATOM 121 CA THR A 18 46.345 -67.728 -14.666 1.00 66.60 C +ATOM 122 C THR A 18 46.540 -68.352 -13.281 1.00 62.18 C +ATOM 123 O THR A 18 47.543 -68.088 -12.625 1.00 59.01 O +ATOM 124 CB THR A 18 47.219 -68.454 -15.705 1.00 66.62 C +ATOM 125 OG1 THR A 18 47.120 -67.781 -16.949 1.00 63.55 O +ATOM 126 CG2 THR A 18 46.811 -69.896 -15.945 1.00 62.48 C +ATOM 127 N GLY A 19 45.568 -69.143 -12.829 1.00 59.95 N +ATOM 128 CA GLY A 19 45.654 -69.850 -11.547 1.00 63.12 C +ATOM 129 C GLY A 19 46.894 -70.757 -11.462 1.00 63.10 C +ATOM 130 O GLY A 19 47.377 -71.230 -12.485 1.00 61.60 O +ATOM 131 N PRO A 20 47.414 -71.035 -10.239 1.00 60.19 N +ATOM 132 CA PRO A 20 48.574 -71.898 -10.042 1.00 64.60 C +ATOM 133 C PRO A 20 48.290 -73.317 -10.558 1.00 61.16 C +ATOM 134 O PRO A 20 47.160 -73.802 -10.526 1.00 60.11 O +ATOM 135 CB PRO A 20 48.878 -71.868 -8.538 1.00 65.21 C +ATOM 136 CG PRO A 20 47.529 -71.529 -7.915 1.00 64.27 C +ATOM 137 CD PRO A 20 46.873 -70.610 -8.946 1.00 66.41 C +ATOM 138 N ALA A 21 49.335 -73.984 -11.014 1.00 62.26 N +ATOM 139 CA ALA A 21 49.230 -75.387 -11.412 1.00 67.01 C +ATOM 140 C ALA A 21 48.771 -76.255 -10.228 1.00 64.18 C +ATOM 141 O ALA A 21 49.204 -76.052 -9.093 1.00 60.83 O +ATOM 142 CB ALA A 21 50.576 -75.853 -11.975 1.00 66.17 C +ATOM 143 N GLY A 22 47.904 -77.202 -10.488 1.00 56.87 N +ATOM 144 CA GLY A 22 47.433 -78.139 -9.476 1.00 61.37 C +ATOM 145 C GLY A 22 48.578 -78.919 -8.815 1.00 61.83 C +ATOM 146 O GLY A 22 49.640 -79.098 -9.427 1.00 60.31 O +ATOM 147 N PRO A 23 48.393 -79.403 -7.565 1.00 55.49 N +ATOM 148 CA PRO A 23 49.425 -80.143 -6.839 1.00 61.37 C +ATOM 149 C PRO A 23 49.851 -81.392 -7.614 1.00 59.07 C +ATOM 150 O PRO A 23 49.054 -82.033 -8.302 1.00 57.84 O +ATOM 151 CB PRO A 23 48.826 -80.471 -5.470 1.00 61.27 C +ATOM 152 CG PRO A 23 47.320 -80.454 -5.724 1.00 59.97 C +ATOM 153 CD PRO A 23 47.156 -79.378 -6.790 1.00 62.24 C +ATOM 154 N ARG A 24 51.114 -81.694 -7.492 1.00 50.75 N +ATOM 155 CA ARG A 24 51.675 -82.900 -8.097 1.00 55.56 C +ATOM 156 C ARG A 24 50.988 -84.131 -7.511 1.00 51.89 C +ATOM 157 O ARG A 24 50.853 -84.230 -6.298 1.00 51.11 O +ATOM 158 CB ARG A 24 53.187 -82.899 -7.857 1.00 56.61 C +ATOM 159 CG ARG A 24 53.934 -83.897 -8.740 1.00 53.70 C +ATOM 160 CD ARG A 24 55.439 -83.765 -8.504 1.00 54.58 C +ATOM 161 NE ARG A 24 56.229 -84.500 -9.504 1.00 51.98 N +ATOM 162 CZ ARG A 24 57.538 -84.470 -9.636 1.00 46.88 C +ATOM 163 NH1 ARG A 24 58.313 -83.793 -8.816 1.00 47.67 N +ATOM 164 NH2 ARG A 24 58.120 -85.114 -10.603 1.00 45.82 N +ATOM 165 N GLY A 25 50.560 -85.060 -8.355 1.00 51.99 N +ATOM 166 CA GLY A 25 49.959 -86.322 -7.914 1.00 54.49 C +ATOM 167 C GLY A 25 50.870 -87.073 -6.945 1.00 53.60 C +ATOM 168 O GLY A 25 52.094 -87.052 -7.077 1.00 52.04 O +ATOM 169 N LEU A 26 50.247 -87.736 -5.922 1.00 47.21 N +ATOM 170 CA LEU A 26 50.983 -88.508 -4.927 1.00 52.45 C +ATOM 171 C LEU A 26 51.771 -89.620 -5.629 1.00 51.24 C +ATOM 172 O LEU A 26 51.310 -90.241 -6.587 1.00 50.27 O +ATOM 173 CB LEU A 26 50.016 -89.096 -3.879 1.00 51.83 C +ATOM 174 CG LEU A 26 49.347 -88.043 -2.973 1.00 47.90 C +ATOM 175 CD1 LEU A 26 48.287 -88.706 -2.088 1.00 45.48 C +ATOM 176 CD2 LEU A 26 50.347 -87.345 -2.068 1.00 44.10 C +ATOM 177 N GLN A 27 52.989 -89.850 -5.123 1.00 49.80 N +ATOM 178 CA GLN A 27 53.822 -90.952 -5.600 1.00 52.80 C +ATOM 179 C GLN A 27 53.110 -92.276 -5.318 1.00 49.78 C +ATOM 180 O GLN A 27 52.678 -92.524 -4.200 1.00 48.75 O +ATOM 181 CB GLN A 27 55.199 -90.846 -4.915 1.00 53.28 C +ATOM 182 CG GLN A 27 56.226 -91.859 -5.437 1.00 49.85 C +ATOM 183 CD GLN A 27 57.629 -91.623 -4.860 1.00 47.29 C +ATOM 184 OE1 GLN A 27 57.919 -90.672 -4.153 1.00 46.67 O +ATOM 185 NE2 GLN A 27 58.583 -92.479 -5.168 1.00 44.26 N +ATOM 186 N GLY A 28 52.936 -93.080 -6.346 1.00 48.30 N +ATOM 187 CA GLY A 28 52.347 -94.406 -6.198 1.00 50.00 C +ATOM 188 C GLY A 28 53.083 -95.223 -5.132 1.00 48.94 C +ATOM 189 O GLY A 28 54.301 -95.145 -5.019 1.00 47.76 O +ATOM 190 N LEU A 29 52.309 -96.013 -4.310 1.00 43.94 N +ATOM 191 CA LEU A 29 52.874 -96.918 -3.303 1.00 48.49 C +ATOM 192 C LEU A 29 53.839 -97.885 -3.989 1.00 48.43 C +ATOM 193 O LEU A 29 53.557 -98.424 -5.060 1.00 47.85 O +ATOM 194 CB LEU A 29 51.748 -97.670 -2.581 1.00 47.43 C +ATOM 195 CG LEU A 29 50.881 -96.784 -1.657 1.00 44.08 C +ATOM 196 CD1 LEU A 29 49.652 -97.554 -1.185 1.00 41.93 C +ATOM 197 CD2 LEU A 29 51.650 -96.310 -0.429 1.00 40.58 C +ATOM 198 N GLN A 30 54.990 -98.073 -3.347 1.00 43.14 N +ATOM 199 CA GLN A 30 56.005 -98.990 -3.843 1.00 46.23 C +ATOM 200 C GLN A 30 55.443-100.413 -3.852 1.00 44.79 C +ATOM 201 O GLN A 30 55.286-101.038 -2.811 1.00 44.73 O +ATOM 202 CB GLN A 30 57.266 -98.815 -2.971 1.00 46.95 C +ATOM 203 CG GLN A 30 58.479 -99.595 -3.486 1.00 42.98 C +ATOM 204 CD GLN A 30 59.766 -99.262 -2.713 1.00 40.36 C +ATOM 205 OE1 GLN A 30 59.812 -98.440 -1.818 1.00 40.05 O +ATOM 206 NE2 GLN A 30 60.882 -99.876 -3.051 1.00 38.98 N +ATOM 207 N GLY A 31 55.079-100.881 -5.019 1.00 42.24 N +ATOM 208 CA GLY A 31 54.738-102.283 -5.224 1.00 44.14 C +ATOM 209 C GLY A 31 55.968-103.164 -5.001 1.00 43.61 C +ATOM 210 O GLY A 31 57.096-102.738 -5.245 1.00 42.35 O +ATOM 211 N LEU A 32 55.728-104.408 -4.484 1.00 41.21 N +ATOM 212 CA LEU A 32 56.741-105.464 -4.455 1.00 45.15 C +ATOM 213 C LEU A 32 57.378-105.578 -5.850 1.00 44.74 C +ATOM 214 O LEU A 32 56.677-105.554 -6.860 1.00 44.34 O +ATOM 215 CB LEU A 32 56.077-106.788 -4.042 1.00 44.38 C +ATOM 216 CG LEU A 32 55.699-106.850 -2.548 1.00 41.32 C +ATOM 217 CD1 LEU A 32 54.686-107.955 -2.288 1.00 39.13 C +ATOM 218 CD2 LEU A 32 56.916-107.091 -1.667 1.00 37.92 C +ATOM 219 N GLN A 33 58.676-105.613 -5.859 1.00 41.72 N +ATOM 220 CA GLN A 33 59.567-105.472 -7.017 1.00 44.93 C +ATOM 221 C GLN A 33 59.013-106.114 -8.302 1.00 44.27 C +ATOM 222 O GLN A 33 59.108-107.311 -8.516 1.00 44.26 O +ATOM 223 CB GLN A 33 60.918-106.056 -6.569 1.00 45.00 C +ATOM 224 CG GLN A 33 62.078-105.758 -7.526 1.00 40.63 C +ATOM 225 CD GLN A 33 63.428-106.129 -6.903 1.00 38.45 C +ATOM 226 OE1 GLN A 33 63.558-106.511 -5.757 1.00 38.25 O +ATOM 227 NE2 GLN A 33 64.508-105.995 -7.638 1.00 37.35 N +ATOM 228 N GLY A 34 58.435-105.286 -9.151 1.00 36.81 N +ATOM 229 CA GLY A 34 57.886-105.627 -10.444 1.00 39.91 C +ATOM 230 C GLY A 34 57.357-104.358 -11.100 1.00 40.10 C +ATOM 231 O GLY A 34 56.434-103.761 -10.582 1.00 38.64 O +ATOM 232 N GLU A 35 58.036-103.956 -12.164 1.00 41.63 N +ATOM 233 CA GLU A 35 57.730-102.829 -13.055 1.00 45.73 C +ATOM 234 C GLU A 35 57.416-101.479 -12.404 1.00 46.14 C +ATOM 235 O GLU A 35 56.476-101.275 -11.649 1.00 45.90 O +ATOM 236 CB GLU A 35 56.721-103.235 -14.145 1.00 45.26 C +ATOM 237 CG GLU A 35 57.315-104.375 -14.985 1.00 40.48 C +ATOM 238 CD GLU A 35 56.559-104.669 -16.279 1.00 37.32 C +ATOM 239 OE1 GLU A 35 57.164-105.393 -17.111 1.00 35.24 O +ATOM 240 OE2 GLU A 35 55.408-104.181 -16.409 1.00 36.28 O +ATOM 241 N ARG A 36 58.292-100.531 -12.694 1.00 46.09 N +ATOM 242 CA ARG A 36 58.123 -99.132 -12.278 1.00 48.47 C +ATOM 243 C ARG A 36 56.810 -98.608 -12.846 1.00 47.59 C +ATOM 244 O ARG A 36 56.725 -98.352 -14.032 1.00 47.66 O +ATOM 245 CB ARG A 36 59.335 -98.330 -12.773 1.00 49.37 C +ATOM 246 CG ARG A 36 59.355 -96.876 -12.285 1.00 43.82 C +ATOM 247 CD ARG A 36 60.610 -96.199 -12.840 1.00 43.78 C +ATOM 248 NE ARG A 36 60.859 -94.876 -12.251 1.00 43.54 N +ATOM 249 CZ ARG A 36 61.917 -94.112 -12.471 1.00 40.27 C +ATOM 250 NH1 ARG A 36 62.862 -94.467 -13.316 1.00 42.17 N +ATOM 251 NH2 ARG A 36 62.049 -92.970 -11.852 1.00 41.63 N +ATOM 252 N GLY A 37 55.801 -98.471 -12.001 1.00 42.25 N +ATOM 253 CA GLY A 37 54.535 -97.880 -12.411 1.00 44.76 C +ATOM 254 C GLY A 37 54.763 -96.504 -13.030 1.00 44.82 C +ATOM 255 O GLY A 37 55.583 -95.721 -12.522 1.00 43.37 O +ATOM 256 N GLU A 38 54.093 -96.284 -14.125 1.00 46.36 N +ATOM 257 CA GLU A 38 54.173 -95.006 -14.813 1.00 50.17 C +ATOM 258 C GLU A 38 53.806 -93.858 -13.868 1.00 49.74 C +ATOM 259 O GLU A 38 52.916 -93.952 -13.015 1.00 49.48 O +ATOM 260 CB GLU A 38 53.279 -94.982 -16.070 1.00 49.78 C +ATOM 261 CG GLU A 38 53.775 -95.948 -17.158 1.00 45.67 C +ATOM 262 CD GLU A 38 53.024 -95.789 -18.499 1.00 42.99 C +ATOM 263 OE1 GLU A 38 53.626 -96.160 -19.542 1.00 41.53 O +ATOM 264 OE2 GLU A 38 51.880 -95.281 -18.475 1.00 41.27 O +ATOM 265 N GLN A 39 54.564 -92.781 -13.963 1.00 52.07 N +ATOM 266 CA GLN A 39 54.272 -91.582 -13.193 1.00 54.38 C +ATOM 267 C GLN A 39 52.895 -91.057 -13.607 1.00 53.15 C +ATOM 268 O GLN A 39 52.681 -90.736 -14.764 1.00 51.74 O +ATOM 269 CB GLN A 39 55.399 -90.564 -13.427 1.00 54.04 C +ATOM 270 CG GLN A 39 55.206 -89.278 -12.619 1.00 50.53 C +ATOM 271 CD GLN A 39 56.373 -88.293 -12.779 1.00 48.76 C +ATOM 272 OE1 GLN A 39 57.435 -88.570 -13.307 1.00 49.72 O +ATOM 273 NE2 GLN A 39 56.224 -87.075 -12.289 1.00 45.88 N +ATOM 274 N GLY A 40 51.978 -91.003 -12.660 1.00 45.95 N +ATOM 275 CA GLY A 40 50.650 -90.463 -12.933 1.00 47.49 C +ATOM 276 C GLY A 40 50.723 -89.083 -13.590 1.00 46.73 C +ATOM 277 O GLY A 40 51.614 -88.290 -13.241 1.00 45.72 O +ATOM 278 N PRO A 41 49.835 -88.805 -14.517 1.00 48.48 N +ATOM 279 CA PRO A 41 49.849 -87.532 -15.220 1.00 51.61 C +ATOM 280 C PRO A 41 49.706 -86.365 -14.230 1.00 50.12 C +ATOM 281 O PRO A 41 49.016 -86.456 -13.210 1.00 50.04 O +ATOM 282 CB PRO A 41 48.704 -87.594 -16.241 1.00 52.07 C +ATOM 283 CG PRO A 41 47.745 -88.604 -15.639 1.00 50.83 C +ATOM 284 CD PRO A 41 48.683 -89.589 -14.939 1.00 51.68 C +ATOM 285 N THR A 42 50.398 -85.281 -14.528 1.00 50.66 N +ATOM 286 CA THR A 42 50.231 -84.041 -13.767 1.00 52.64 C +ATOM 287 C THR A 42 48.774 -83.602 -13.844 1.00 50.49 C +ATOM 288 O THR A 42 48.205 -83.538 -14.929 1.00 49.89 O +ATOM 289 CB THR A 42 51.153 -82.935 -14.316 1.00 52.90 C +ATOM 290 OG1 THR A 42 52.481 -83.397 -14.319 1.00 50.83 O +ATOM 291 CG2 THR A 42 51.125 -81.659 -13.491 1.00 50.79 C +ATOM 292 N GLY A 43 48.173 -83.335 -12.703 1.00 48.89 N +ATOM 293 CA GLY A 43 46.797 -82.841 -12.662 1.00 50.53 C +ATOM 294 C GLY A 43 46.629 -81.584 -13.522 1.00 50.00 C +ATOM 295 O GLY A 43 47.567 -80.785 -13.624 1.00 49.05 O +ATOM 296 N PRO A 44 45.478 -81.415 -14.144 1.00 50.77 N +ATOM 297 CA PRO A 44 45.221 -80.238 -14.949 1.00 54.74 C +ATOM 298 C PRO A 44 45.396 -78.965 -14.118 1.00 52.88 C +ATOM 299 O PRO A 44 45.147 -78.954 -12.910 1.00 52.51 O +ATOM 300 CB PRO A 44 43.795 -80.399 -15.492 1.00 54.92 C +ATOM 301 CG PRO A 44 43.129 -81.303 -14.469 1.00 53.11 C +ATOM 302 CD PRO A 44 44.271 -82.212 -14.013 1.00 53.48 C +ATOM 303 N ALA A 45 45.849 -77.921 -14.766 1.00 59.08 N +ATOM 304 CA ALA A 45 45.897 -76.617 -14.115 1.00 62.42 C +ATOM 305 C ALA A 45 44.498 -76.238 -13.608 1.00 61.59 C +ATOM 306 O ALA A 45 43.503 -76.456 -14.298 1.00 58.40 O +ATOM 307 CB ALA A 45 46.455 -75.581 -15.100 1.00 60.11 C +ATOM 308 N GLY A 46 44.428 -75.681 -12.408 1.00 51.47 N +ATOM 309 CA GLY A 46 43.167 -75.206 -11.856 1.00 53.55 C +ATOM 310 C GLY A 46 42.505 -74.173 -12.779 1.00 53.33 C +ATOM 311 O GLY A 46 43.207 -73.436 -13.465 1.00 51.88 O +ATOM 312 N PRO A 47 41.202 -74.169 -12.824 1.00 53.77 N +ATOM 313 CA PRO A 47 40.495 -73.205 -13.648 1.00 57.19 C +ATOM 314 C PRO A 47 40.911 -71.784 -13.271 1.00 55.79 C +ATOM 315 O PRO A 47 41.233 -71.479 -12.117 1.00 54.72 O +ATOM 316 CB PRO A 47 38.995 -73.459 -13.419 1.00 56.63 C +ATOM 317 CG PRO A 47 38.956 -74.099 -12.050 1.00 54.42 C +ATOM 318 CD PRO A 47 40.259 -74.902 -11.991 1.00 54.88 C +ATOM 319 N ARG A 48 40.924 -70.891 -14.254 1.00 60.09 N +ATOM 320 CA ARG A 48 41.198 -69.477 -14.038 1.00 63.67 C +ATOM 321 C ARG A 48 40.163 -68.900 -13.072 1.00 61.66 C +ATOM 322 O ARG A 48 38.972 -69.098 -13.285 1.00 58.34 O +ATOM 323 CB ARG A 48 41.189 -68.774 -15.394 1.00 61.47 C +ATOM 324 CG ARG A 48 41.666 -67.331 -15.302 1.00 56.79 C +ATOM 325 CD ARG A 48 41.662 -66.694 -16.694 1.00 56.66 C +ATOM 326 NE ARG A 48 42.408 -65.446 -16.690 1.00 55.04 N +ATOM 327 CZ ARG A 48 42.979 -64.860 -17.720 1.00 48.39 C +ATOM 328 NH1 ARG A 48 42.776 -65.256 -18.947 1.00 49.24 N +ATOM 329 NH2 ARG A 48 43.785 -63.874 -17.523 1.00 48.30 N +ATOM 330 N GLY A 49 40.623 -68.209 -12.041 1.00 52.77 N +ATOM 331 CA GLY A 49 39.705 -67.525 -11.139 1.00 54.45 C +ATOM 332 C GLY A 49 38.776 -66.595 -11.912 1.00 55.42 C +ATOM 333 O GLY A 49 39.230 -65.892 -12.822 1.00 53.78 O +ATOM 334 N LEU A 50 37.487 -66.632 -11.568 1.00 60.02 N +ATOM 335 CA LEU A 50 36.517 -65.730 -12.173 1.00 63.18 C +ATOM 336 C LEU A 50 36.887 -64.288 -11.828 1.00 63.01 C +ATOM 337 O LEU A 50 37.393 -63.991 -10.741 1.00 61.02 O +ATOM 338 CB LEU A 50 35.089 -66.082 -11.715 1.00 61.11 C +ATOM 339 CG LEU A 50 34.584 -67.457 -12.195 1.00 57.16 C +ATOM 340 CD1 LEU A 50 33.213 -67.762 -11.604 1.00 55.14 C +ATOM 341 CD2 LEU A 50 34.472 -67.542 -13.721 1.00 53.92 C +ATOM 342 N GLN A 51 36.691 -63.398 -12.768 1.00 70.72 N +ATOM 343 CA GLN A 51 36.867 -61.979 -12.509 1.00 72.44 C +ATOM 344 C GLN A 51 35.828 -61.538 -11.475 1.00 71.38 C +ATOM 345 O GLN A 51 34.652 -61.806 -11.671 1.00 67.87 O +ATOM 346 CB GLN A 51 36.756 -61.214 -13.838 1.00 69.09 C +ATOM 347 CG GLN A 51 36.962 -59.711 -13.661 1.00 64.80 C +ATOM 348 CD GLN A 51 36.998 -58.957 -14.989 1.00 62.97 C +ATOM 349 OE1 GLN A 51 36.986 -59.500 -16.084 1.00 60.86 O +ATOM 350 NE2 GLN A 51 37.071 -57.650 -14.956 1.00 56.75 N +ATOM 351 N GLY A 52 36.264 -60.879 -10.419 1.00 61.60 N +ATOM 352 CA GLY A 52 35.342 -60.335 -9.424 1.00 62.81 C +ATOM 353 C GLY A 52 34.295 -59.433 -10.076 1.00 64.22 C +ATOM 354 O GLY A 52 34.626 -58.636 -10.960 1.00 62.23 O +ATOM 355 N GLU A 53 33.057 -59.609 -9.648 1.00 59.81 N +ATOM 356 CA GLU A 53 31.958 -58.786 -10.147 1.00 63.51 C +ATOM 357 C GLU A 53 32.149 -57.326 -9.753 1.00 63.84 C +ATOM 358 O GLU A 53 32.774 -56.983 -8.740 1.00 62.91 O +ATOM 359 CB GLU A 53 30.598 -59.326 -9.683 1.00 61.04 C +ATOM 360 CG GLU A 53 30.301 -60.712 -10.287 1.00 55.92 C +ATOM 361 CD GLU A 53 28.880 -61.215 -9.990 1.00 52.89 C +ATOM 362 OE1 GLU A 53 28.477 -62.172 -10.693 1.00 50.67 O +ATOM 363 OE2 GLU A 53 28.238 -60.646 -9.089 1.00 48.37 O +ATOM 364 N ARG A 54 31.663 -56.426 -10.601 1.00 68.69 N +ATOM 365 CA ARG A 54 31.705 -54.994 -10.327 1.00 71.28 C +ATOM 366 C ARG A 54 30.752 -54.688 -9.174 1.00 70.66 C +ATOM 367 O ARG A 54 29.608 -55.116 -9.215 1.00 67.08 O +ATOM 368 CB ARG A 54 31.336 -54.240 -11.609 1.00 67.67 C +ATOM 369 CG ARG A 54 31.550 -52.726 -11.509 1.00 62.41 C +ATOM 370 CD ARG A 54 31.179 -52.089 -12.860 1.00 62.67 C +ATOM 371 NE ARG A 54 31.616 -50.688 -12.946 1.00 59.92 N +ATOM 372 CZ ARG A 54 31.377 -49.848 -13.922 1.00 54.38 C +ATOM 373 NH1 ARG A 54 30.673 -50.170 -14.964 1.00 54.34 N +ATOM 374 NH2 ARG A 54 31.850 -48.638 -13.881 1.00 53.21 N +ATOM 375 N GLY A 55 31.210 -53.956 -8.171 1.00 61.45 N +ATOM 376 CA GLY A 55 30.336 -53.526 -7.085 1.00 62.09 C +ATOM 377 C GLY A 55 29.128 -52.739 -7.592 1.00 63.13 C +ATOM 378 O GLY A 55 29.244 -51.971 -8.547 1.00 61.13 O +ATOM 379 N GLU A 56 27.990 -52.949 -6.945 1.00 60.27 N +ATOM 380 CA GLU A 56 26.770 -52.216 -7.277 1.00 63.96 C +ATOM 381 C GLU A 56 26.926 -50.719 -7.011 1.00 63.33 C +ATOM 382 O GLU A 56 27.637 -50.285 -6.096 1.00 62.20 O +ATOM 383 CB GLU A 56 25.563 -52.769 -6.513 1.00 61.60 C +ATOM 384 CG GLU A 56 25.203 -54.211 -6.921 1.00 56.66 C +ATOM 385 CD GLU A 56 23.892 -54.696 -6.279 1.00 54.30 C +ATOM 386 OE1 GLU A 56 23.366 -55.718 -6.769 1.00 51.87 O +ATOM 387 OE2 GLU A 56 23.422 -54.039 -5.319 1.00 49.79 O +ATOM 388 N GLN A 57 26.271 -49.925 -7.824 1.00 67.66 N +ATOM 389 CA GLN A 57 26.231 -48.485 -7.609 1.00 69.96 C +ATOM 390 C GLN A 57 25.428 -48.169 -6.352 1.00 69.39 C +ATOM 391 O GLN A 57 24.338 -48.697 -6.153 1.00 66.21 O +ATOM 392 CB GLN A 57 25.656 -47.804 -8.858 1.00 67.37 C +ATOM 393 CG GLN A 57 25.697 -46.269 -8.771 1.00 63.48 C +ATOM 394 CD GLN A 57 25.238 -45.587 -10.048 1.00 62.38 C +ATOM 395 OE1 GLN A 57 24.951 -46.186 -11.060 1.00 61.09 O +ATOM 396 NE2 GLN A 57 25.156 -44.276 -10.056 1.00 57.06 N +ATOM 397 N GLY A 58 25.952 -47.284 -5.498 1.00 59.77 N +ATOM 398 CA GLY A 58 25.225 -46.829 -4.324 1.00 60.45 C +ATOM 399 C GLY A 58 23.896 -46.156 -4.695 1.00 59.84 C +ATOM 400 O GLY A 58 23.783 -45.536 -5.754 1.00 58.03 O +ATOM 401 N PRO A 59 22.881 -46.268 -3.821 1.00 62.69 N +ATOM 402 CA PRO A 59 21.595 -45.631 -4.083 1.00 65.41 C +ATOM 403 C PRO A 59 21.732 -44.107 -4.137 1.00 64.04 C +ATOM 404 O PRO A 59 22.547 -43.508 -3.428 1.00 61.88 O +ATOM 405 CB PRO A 59 20.670 -46.084 -2.944 1.00 64.55 C +ATOM 406 CG PRO A 59 21.637 -46.373 -1.805 1.00 62.69 C +ATOM 407 CD PRO A 59 22.874 -46.915 -2.526 1.00 65.45 C +ATOM 408 N THR A 60 20.901 -43.491 -4.946 1.00 68.89 N +ATOM 409 CA THR A 60 20.845 -42.034 -5.026 1.00 69.63 C +ATOM 410 C THR A 60 20.410 -41.421 -3.695 1.00 68.16 C +ATOM 411 O THR A 60 19.505 -41.934 -3.032 1.00 64.43 O +ATOM 412 CB THR A 60 19.879 -41.598 -6.137 1.00 67.27 C +ATOM 413 OG1 THR A 60 20.159 -42.245 -7.351 1.00 62.32 O +ATOM 414 CG2 THR A 60 19.957 -40.107 -6.423 1.00 62.53 C +ATOM 415 N GLY A 61 21.041 -40.319 -3.303 1.00 56.59 N +ATOM 416 CA GLY A 61 20.639 -39.539 -2.140 1.00 57.59 C +ATOM 417 C GLY A 61 19.195 -39.030 -2.240 1.00 57.17 C +ATOM 418 O GLY A 61 18.670 -38.789 -3.324 1.00 55.48 O +ATOM 419 N LEU A 62 18.557 -38.885 -1.089 1.00 59.26 N +ATOM 420 CA LEU A 62 17.219 -38.293 -1.033 1.00 62.57 C +ATOM 421 C LEU A 62 17.276 -36.810 -1.415 1.00 60.90 C +ATOM 422 O LEU A 62 18.256 -36.132 -1.123 1.00 59.28 O +ATOM 423 CB LEU A 62 16.607 -38.460 0.373 1.00 61.25 C +ATOM 424 CG LEU A 62 16.326 -39.915 0.787 1.00 58.52 C +ATOM 425 CD1 LEU A 62 15.812 -39.954 2.224 1.00 56.83 C +ATOM 426 CD2 LEU A 62 15.283 -40.587 -0.110 1.00 55.51 C +ATOM 427 N ALA A 63 16.199 -36.318 -2.022 1.00 65.13 N +ATOM 428 CA ALA A 63 16.063 -34.894 -2.289 1.00 67.55 C +ATOM 429 C ALA A 63 16.054 -34.077 -0.985 1.00 66.68 C +ATOM 430 O ALA A 63 15.510 -34.523 0.030 1.00 63.24 O +ATOM 431 CB ALA A 63 14.792 -34.659 -3.116 1.00 64.95 C +ATOM 432 N GLY A 64 16.639 -32.902 -1.031 1.00 54.67 N +ATOM 433 CA GLY A 64 16.557 -31.932 0.048 1.00 56.07 C +ATOM 434 C GLY A 64 15.116 -31.494 0.321 1.00 55.80 C +ATOM 435 O GLY A 64 14.246 -31.559 -0.546 1.00 54.16 O +ATOM 436 N LYS A 65 14.869 -31.081 1.562 1.00 58.94 N +ATOM 437 CA LYS A 65 13.571 -30.505 1.926 1.00 62.56 C +ATOM 438 C LYS A 65 13.397 -29.147 1.244 1.00 60.22 C +ATOM 439 O LYS A 65 14.378 -28.446 1.024 1.00 59.92 O +ATOM 440 CB LYS A 65 13.432 -30.375 3.448 1.00 61.16 C +ATOM 441 CG LYS A 65 13.389 -31.740 4.168 1.00 57.58 C +ATOM 442 CD LYS A 65 13.198 -31.506 5.668 1.00 56.29 C +ATOM 443 CE LYS A 65 13.134 -32.822 6.442 1.00 53.55 C +ATOM 444 NZ LYS A 65 12.924 -32.553 7.889 1.00 48.19 N +ATOM 445 N ALA A 66 12.157 -28.794 0.947 1.00 64.54 N +ATOM 446 CA ALA A 66 11.861 -27.437 0.503 1.00 66.72 C +ATOM 447 C ALA A 66 12.195 -26.428 1.613 1.00 66.23 C +ATOM 448 O ALA A 66 12.028 -26.738 2.798 1.00 62.71 O +ATOM 449 CB ALA A 66 10.387 -27.355 0.081 1.00 64.12 C +ATOM 450 N GLY A 67 12.660 -25.259 1.225 1.00 55.07 N +ATOM 451 CA GLY A 67 12.857 -24.148 2.143 1.00 56.43 C +ATOM 452 C GLY A 67 11.541 -23.662 2.758 1.00 56.95 C +ATOM 453 O GLY A 67 10.465 -23.859 2.194 1.00 55.29 O +ATOM 454 N GLU A 68 11.666 -23.061 3.924 1.00 54.09 N +ATOM 455 CA GLU A 68 10.513 -22.462 4.592 1.00 57.74 C +ATOM 456 C GLU A 68 9.982 -21.253 3.805 1.00 55.94 C +ATOM 457 O GLU A 68 10.714 -20.590 3.065 1.00 55.24 O +ATOM 458 CB GLU A 68 10.859 -22.081 6.046 1.00 57.30 C +ATOM 459 CG GLU A 68 11.179 -23.337 6.889 1.00 53.53 C +ATOM 460 CD GLU A 68 11.411 -23.047 8.378 1.00 51.36 C +ATOM 461 OE1 GLU A 68 11.394 -24.040 9.150 1.00 50.24 O +ATOM 462 OE2 GLU A 68 11.597 -21.871 8.744 1.00 48.82 O +ATOM 463 N ALA A 69 8.679 -20.992 3.951 1.00 62.25 N +ATOM 464 CA ALA A 69 8.079 -19.810 3.349 1.00 64.34 C +ATOM 465 C ALA A 69 8.658 -18.527 3.972 1.00 63.99 C +ATOM 466 O ALA A 69 8.902 -18.482 5.169 1.00 61.18 O +ATOM 467 CB ALA A 69 6.558 -19.878 3.498 1.00 62.01 C +ATOM 468 N GLY A 70 8.827 -17.504 3.158 1.00 55.65 N +ATOM 469 CA GLY A 70 9.260 -16.197 3.634 1.00 56.90 C +ATOM 470 C GLY A 70 8.261 -15.566 4.608 1.00 57.75 C +ATOM 471 O GLY A 70 7.061 -15.846 4.571 1.00 56.18 O +ATOM 472 N ALA A 71 8.783 -14.705 5.479 1.00 56.97 N +ATOM 473 CA ALA A 71 7.950 -13.964 6.419 1.00 60.12 C +ATOM 474 C ALA A 71 6.963 -13.040 5.677 1.00 59.47 C +ATOM 475 O ALA A 71 7.201 -12.587 4.552 1.00 58.15 O +ATOM 476 CB ALA A 71 8.850 -13.191 7.388 1.00 58.69 C +ATOM 477 N LYS A 72 5.833 -12.771 6.322 1.00 63.21 N +ATOM 478 CA LYS A 72 4.866 -11.801 5.804 1.00 67.23 C +ATOM 479 C LYS A 72 5.480 -10.400 5.812 1.00 66.43 C +ATOM 480 O LYS A 72 6.071 -9.996 6.807 1.00 64.65 O +ATOM 481 CB LYS A 72 3.588 -11.876 6.646 1.00 64.28 C +ATOM 482 CG LYS A 72 2.467 -11.010 6.061 1.00 59.14 C +ATOM 483 CD LYS A 72 1.202 -11.159 6.897 1.00 59.14 C +ATOM 484 CE LYS A 72 0.097 -10.313 6.272 1.00 56.62 C +ATOM 485 NZ LYS A 72 -1.157 -10.373 7.066 1.00 51.15 N +ATOM 486 N GLY A 73 5.281 -9.653 4.737 1.00 57.99 N +ATOM 487 CA GLY A 73 5.718 -8.262 4.657 1.00 59.31 C +ATOM 488 C GLY A 73 5.052 -7.373 5.703 1.00 60.58 C +ATOM 489 O GLY A 73 3.907 -7.595 6.107 1.00 58.77 O +ATOM 490 N GLU A 74 5.785 -6.359 6.131 1.00 54.39 N +ATOM 491 CA GLU A 74 5.260 -5.375 7.071 1.00 57.90 C +ATOM 492 C GLU A 74 4.111 -4.563 6.462 1.00 56.49 C +ATOM 493 O GLU A 74 4.042 -4.343 5.252 1.00 55.67 O +ATOM 494 CB GLU A 74 6.367 -4.422 7.541 1.00 57.37 C +ATOM 495 CG GLU A 74 7.471 -5.126 8.349 1.00 53.82 C +ATOM 496 CD GLU A 74 8.518 -4.136 8.883 1.00 51.52 C +ATOM 497 OE1 GLU A 74 9.242 -4.511 9.830 1.00 50.65 O +ATOM 498 OE2 GLU A 74 8.595 -2.999 8.351 1.00 48.97 O +ATOM 499 N THR A 75 3.224 -4.080 7.328 1.00 64.77 N +ATOM 500 CA THR A 75 2.165 -3.159 6.903 1.00 65.64 C +ATOM 501 C THR A 75 2.771 -1.823 6.477 1.00 63.61 C +ATOM 502 O THR A 75 3.665 -1.298 7.136 1.00 61.30 O +ATOM 503 CB THR A 75 1.135 -2.955 8.019 1.00 64.57 C +ATOM 504 OG1 THR A 75 0.660 -4.189 8.483 1.00 60.77 O +ATOM 505 CG2 THR A 75 -0.086 -2.174 7.555 1.00 61.01 C +ATOM 506 N GLY A 76 2.278 -1.277 5.371 1.00 57.48 N +ATOM 507 CA GLY A 76 2.693 0.042 4.902 1.00 58.21 C +ATOM 508 C GLY A 76 2.363 1.150 5.904 1.00 59.01 C +ATOM 509 O GLY A 76 1.396 1.039 6.663 1.00 57.64 O +ATOM 510 N PRO A 77 3.153 2.230 5.922 1.00 59.48 N +ATOM 511 CA PRO A 77 2.868 3.375 6.774 1.00 61.42 C +ATOM 512 C PRO A 77 1.531 4.032 6.393 1.00 59.46 C +ATOM 513 O PRO A 77 1.054 3.912 5.261 1.00 58.44 O +ATOM 514 CB PRO A 77 4.050 4.328 6.592 1.00 61.24 C +ATOM 515 CG PRO A 77 4.554 4.001 5.190 1.00 59.51 C +ATOM 516 CD PRO A 77 4.299 2.498 5.077 1.00 61.21 C +ATOM 517 N ALA A 78 0.944 4.755 7.349 1.00 62.57 N +ATOM 518 CA ALA A 78 -0.223 5.583 7.075 1.00 63.90 C +ATOM 519 C ALA A 78 0.102 6.682 6.050 1.00 62.89 C +ATOM 520 O ALA A 78 1.214 7.207 6.027 1.00 60.10 O +ATOM 521 CB ALA A 78 -0.760 6.168 8.384 1.00 62.30 C +ATOM 522 N GLY A 79 -0.871 6.995 5.214 1.00 54.95 N +ATOM 523 CA GLY A 79 -0.760 8.128 4.298 1.00 56.36 C +ATOM 524 C GLY A 79 -0.620 9.459 5.045 1.00 57.54 C +ATOM 525 O GLY A 79 -1.048 9.573 6.195 1.00 56.60 O +ATOM 526 N PRO A 80 -0.041 10.468 4.394 1.00 59.15 N +ATOM 527 CA PRO A 80 0.070 11.791 4.981 1.00 61.38 C +ATOM 528 C PRO A 80 -1.313 12.393 5.254 1.00 60.19 C +ATOM 529 O PRO A 80 -2.293 12.087 4.568 1.00 59.25 O +ATOM 530 CB PRO A 80 0.873 12.623 3.973 1.00 60.84 C +ATOM 531 CG PRO A 80 0.557 11.956 2.642 1.00 58.57 C +ATOM 532 CD PRO A 80 0.430 10.472 3.017 1.00 59.74 C +ATOM 533 N GLN A 81 -1.377 13.269 6.245 1.00 61.61 N +ATOM 534 CA GLN A 81 -2.578 14.060 6.489 1.00 64.11 C +ATOM 535 C GLN A 81 -2.851 14.987 5.305 1.00 62.86 C +ATOM 536 O GLN A 81 -1.924 15.550 4.726 1.00 60.46 O +ATOM 537 CB GLN A 81 -2.392 14.837 7.809 1.00 62.60 C +ATOM 538 CG GLN A 81 -3.653 15.574 8.250 1.00 58.91 C +ATOM 539 CD GLN A 81 -3.523 16.243 9.614 1.00 57.76 C +ATOM 540 OE1 GLN A 81 -2.521 16.158 10.290 1.00 57.25 O +ATOM 541 NE2 GLN A 81 -4.546 16.931 10.069 1.00 53.17 N +ATOM 542 N GLY A 82 -4.123 15.143 4.950 1.00 56.89 N +ATOM 543 CA GLY A 82 -4.535 16.086 3.915 1.00 58.36 C +ATOM 544 C GLY A 82 -4.203 17.534 4.283 1.00 60.03 C +ATOM 545 O GLY A 82 -4.090 17.864 5.469 1.00 59.01 O +ATOM 546 N PRO A 83 -4.058 18.407 3.281 1.00 60.96 N +ATOM 547 CA PRO A 83 -3.797 19.816 3.531 1.00 63.08 C +ATOM 548 C PRO A 83 -4.944 20.460 4.313 1.00 62.99 C +ATOM 549 O PRO A 83 -6.100 20.025 4.257 1.00 62.08 O +ATOM 550 CB PRO A 83 -3.609 20.451 2.150 1.00 61.96 C +ATOM 551 CG PRO A 83 -4.447 19.561 1.238 1.00 58.89 C +ATOM 552 CD PRO A 83 -4.269 18.169 1.865 1.00 59.74 C +ATOM 553 N ARG A 84 -4.613 21.512 5.029 1.00 63.45 N +ATOM 554 CA ARG A 84 -5.611 22.317 5.727 1.00 66.45 C +ATOM 555 C ARG A 84 -6.522 23.024 4.727 1.00 65.35 C +ATOM 556 O ARG A 84 -6.037 23.578 3.745 1.00 63.02 O +ATOM 557 CB ARG A 84 -4.884 23.314 6.642 1.00 64.16 C +ATOM 558 CG ARG A 84 -5.865 24.059 7.545 1.00 58.53 C +ATOM 559 CD ARG A 84 -5.086 24.954 8.490 1.00 58.57 C +ATOM 560 NE ARG A 84 -5.977 25.554 9.488 1.00 57.26 N +ATOM 561 CZ ARG A 84 -5.598 26.266 10.521 1.00 51.47 C +ATOM 562 NH1 ARG A 84 -4.343 26.567 10.725 1.00 51.78 N +ATOM 563 NH2 ARG A 84 -6.478 26.681 11.382 1.00 51.31 N +ATOM 564 N GLY A 85 -7.816 23.052 5.011 1.00 59.76 N +ATOM 565 CA GLY A 85 -8.783 23.782 4.192 1.00 60.65 C +ATOM 566 C GLY A 85 -8.507 25.285 4.142 1.00 62.40 C +ATOM 567 O GLY A 85 -7.967 25.869 5.089 1.00 61.41 O +ATOM 568 N GLU A 86 -8.901 25.888 3.042 1.00 57.26 N +ATOM 569 CA GLU A 86 -8.742 27.323 2.852 1.00 60.88 C +ATOM 570 C GLU A 86 -9.553 28.123 3.883 1.00 60.21 C +ATOM 571 O GLU A 86 -10.580 27.691 4.408 1.00 59.53 O +ATOM 572 CB GLU A 86 -9.127 27.743 1.430 1.00 59.57 C +ATOM 573 CG GLU A 86 -8.192 27.136 0.369 1.00 54.35 C +ATOM 574 CD GLU A 86 -8.456 27.670 -1.052 1.00 51.66 C +ATOM 575 OE1 GLU A 86 -7.559 27.473 -1.901 1.00 49.44 O +ATOM 576 OE2 GLU A 86 -9.525 28.280 -1.260 1.00 47.31 O +ATOM 577 N GLN A 87 -9.058 29.314 4.180 1.00 61.77 N +ATOM 578 CA GLN A 87 -9.767 30.216 5.068 1.00 63.06 C +ATOM 579 C GLN A 87 -11.045 30.731 4.400 1.00 61.39 C +ATOM 580 O GLN A 87 -11.024 31.114 3.237 1.00 59.05 O +ATOM 581 CB GLN A 87 -8.825 31.359 5.483 1.00 62.09 C +ATOM 582 CG GLN A 87 -9.448 32.241 6.565 1.00 57.63 C +ATOM 583 CD GLN A 87 -8.473 33.230 7.178 1.00 56.43 C +ATOM 584 OE1 GLN A 87 -7.362 33.445 6.727 1.00 56.33 O +ATOM 585 NE2 GLN A 87 -8.857 33.889 8.249 1.00 52.31 N +ATOM 586 N GLY A 88 -12.139 30.778 5.153 1.00 59.05 N +ATOM 587 CA GLY A 88 -13.399 31.318 4.651 1.00 59.59 C +ATOM 588 C GLY A 88 -13.282 32.785 4.214 1.00 60.40 C +ATOM 589 O GLY A 88 -12.454 33.536 4.743 1.00 59.44 O +ATOM 590 N PRO A 89 -14.128 33.196 3.258 1.00 59.87 N +ATOM 591 CA PRO A 89 -14.122 34.571 2.778 1.00 61.26 C +ATOM 592 C PRO A 89 -14.474 35.553 3.897 1.00 60.58 C +ATOM 593 O PRO A 89 -15.097 35.220 4.909 1.00 59.64 O +ATOM 594 CB PRO A 89 -15.137 34.612 1.630 1.00 60.54 C +ATOM 595 CG PRO A 89 -16.114 33.496 1.986 1.00 57.62 C +ATOM 596 CD PRO A 89 -15.209 32.451 2.638 1.00 58.46 C +ATOM 597 N GLN A 90 -14.062 36.787 3.703 1.00 59.01 N +ATOM 598 CA GLN A 90 -14.402 37.847 4.639 1.00 60.71 C +ATOM 599 C GLN A 90 -15.900 38.167 4.571 1.00 59.67 C +ATOM 600 O GLN A 90 -16.449 38.300 3.477 1.00 57.66 O +ATOM 601 CB GLN A 90 -13.527 39.068 4.340 1.00 59.84 C +ATOM 602 CG GLN A 90 -13.727 40.161 5.389 1.00 55.12 C +ATOM 603 CD GLN A 90 -12.652 41.232 5.340 1.00 53.76 C +ATOM 604 OE1 GLN A 90 -11.942 41.432 4.371 1.00 52.65 O +ATOM 605 NE2 GLN A 90 -12.495 41.978 6.401 1.00 48.70 N +ATOM 606 N GLY A 91 -16.518 38.341 5.718 1.00 56.91 N +ATOM 607 CA GLY A 91 -17.917 38.756 5.789 1.00 57.41 C +ATOM 608 C GLY A 91 -18.178 40.111 5.130 1.00 57.81 C +ATOM 609 O GLY A 91 -17.296 40.978 5.075 1.00 56.63 O +ATOM 610 N LEU A 92 -19.398 40.267 4.641 1.00 56.13 N +ATOM 611 CA LEU A 92 -19.822 41.497 3.984 1.00 58.15 C +ATOM 612 C LEU A 92 -19.776 42.689 4.962 1.00 57.82 C +ATOM 613 O LEU A 92 -20.011 42.513 6.164 1.00 56.78 O +ATOM 614 CB LEU A 92 -21.225 41.327 3.379 1.00 57.05 C +ATOM 615 CG LEU A 92 -21.317 40.292 2.240 1.00 53.97 C +ATOM 616 CD1 LEU A 92 -22.770 40.135 1.804 1.00 51.95 C +ATOM 617 CD2 LEU A 92 -20.494 40.700 1.019 1.00 50.73 C +ATOM 618 N PRO A 93 -19.512 43.893 4.454 1.00 57.73 N +ATOM 619 CA PRO A 93 -19.638 45.101 5.267 1.00 58.64 C +ATOM 620 C PRO A 93 -21.045 45.236 5.868 1.00 57.28 C +ATOM 621 O PRO A 93 -22.032 44.923 5.199 1.00 56.49 O +ATOM 622 CB PRO A 93 -19.327 46.271 4.333 1.00 58.56 C +ATOM 623 CG PRO A 93 -18.503 45.642 3.221 1.00 55.57 C +ATOM 624 CD PRO A 93 -19.064 44.236 3.109 1.00 56.96 C +ATOM 625 N GLY A 94 -21.114 45.726 7.080 1.00 54.43 N +ATOM 626 CA GLY A 94 -22.396 46.055 7.698 1.00 55.38 C +ATOM 627 C GLY A 94 -23.163 47.129 6.926 1.00 56.01 C +ATOM 628 O GLY A 94 -22.563 47.965 6.237 1.00 55.00 O +ATOM 629 N ALA A 95 -24.495 47.108 7.067 1.00 54.34 N +ATOM 630 CA ALA A 95 -25.362 48.108 6.453 1.00 55.92 C +ATOM 631 C ALA A 95 -24.983 49.527 6.936 1.00 56.19 C +ATOM 632 O ALA A 95 -24.559 49.738 8.065 1.00 54.75 O +ATOM 633 CB ALA A 95 -26.829 47.763 6.749 1.00 54.37 C +ATOM 634 N ARG A 96 -25.119 50.480 6.020 1.00 54.25 N +ATOM 635 CA ARG A 96 -24.855 51.882 6.363 1.00 55.87 C +ATOM 636 C ARG A 96 -25.932 52.387 7.323 1.00 55.04 C +ATOM 637 O ARG A 96 -27.105 52.340 6.980 1.00 53.87 O +ATOM 638 CB ARG A 96 -24.787 52.708 5.077 1.00 55.26 C +ATOM 639 CG ARG A 96 -24.401 54.166 5.351 1.00 49.07 C +ATOM 640 CD ARG A 96 -24.283 54.928 4.030 1.00 48.75 C +ATOM 641 NE ARG A 96 -23.886 56.323 4.244 1.00 48.11 N +ATOM 642 CZ ARG A 96 -23.679 57.226 3.311 1.00 43.45 C +ATOM 643 NH1 ARG A 96 -23.819 56.946 2.041 1.00 44.31 N +ATOM 644 NH2 ARG A 96 -23.332 58.436 3.635 1.00 43.54 N +ATOM 645 N GLY A 97 -25.539 52.921 8.454 1.00 52.98 N +ATOM 646 CA GLY A 97 -26.475 53.596 9.359 1.00 54.16 C +ATOM 647 C GLY A 97 -27.100 54.834 8.709 1.00 55.50 C +ATOM 648 O GLY A 97 -26.446 55.528 7.932 1.00 54.01 O +ATOM 649 N GLU A 98 -28.359 55.099 9.034 1.00 51.50 N +ATOM 650 CA GLU A 98 -29.162 56.100 8.316 1.00 53.93 C +ATOM 651 C GLU A 98 -28.582 57.523 8.311 1.00 53.82 C +ATOM 652 O GLU A 98 -28.924 58.311 7.429 1.00 52.64 O +ATOM 653 CB GLU A 98 -30.593 56.147 8.870 1.00 53.20 C +ATOM 654 CG GLU A 98 -31.438 54.902 8.512 1.00 48.36 C +ATOM 655 CD GLU A 98 -32.942 55.163 8.733 1.00 46.31 C +ATOM 656 OE1 GLU A 98 -33.741 54.561 7.983 1.00 43.97 O +ATOM 657 OE2 GLU A 98 -33.272 56.016 9.578 1.00 43.41 O +ATOM 658 N ARG A 99 -27.705 57.866 9.253 1.00 53.09 N +ATOM 659 CA ARG A 99 -27.183 59.246 9.346 1.00 55.34 C +ATOM 660 C ARG A 99 -25.686 59.395 9.648 1.00 55.60 C +ATOM 661 O ARG A 99 -25.221 60.525 9.702 1.00 53.70 O +ATOM 662 CB ARG A 99 -28.050 60.078 10.309 1.00 54.51 C +ATOM 663 CG ARG A 99 -29.466 60.299 9.735 1.00 48.88 C +ATOM 664 CD ARG A 99 -30.269 61.271 10.586 1.00 46.64 C +ATOM 665 NE ARG A 99 -31.633 61.407 10.057 1.00 45.35 N +ATOM 666 CZ ARG A 99 -32.645 62.034 10.636 1.00 39.28 C +ATOM 667 NH1 ARG A 99 -32.499 62.660 11.769 1.00 40.94 N +ATOM 668 NH2 ARG A 99 -33.831 62.022 10.086 1.00 40.11 N +ATOM 669 N SER A 100 -24.921 58.318 9.833 1.00 53.21 N +ATOM 670 CA SER A 100 -23.465 58.442 10.039 1.00 54.91 C +ATOM 671 C SER A 100 -22.720 57.124 9.839 1.00 55.62 C +ATOM 672 O SER A 100 -23.024 56.157 10.511 1.00 53.28 O +ATOM 673 CB SER A 100 -23.160 58.937 11.468 1.00 52.63 C +ATOM 674 OG SER A 100 -23.550 60.288 11.614 1.00 47.03 O +ATOM 675 N PHE A 101 -21.689 57.142 9.015 1.00 52.83 N +ATOM 676 CA PHE A 101 -20.640 56.147 8.788 1.00 55.30 C +ATOM 677 C PHE A 101 -21.085 54.725 8.377 1.00 55.44 C +ATOM 678 O PHE A 101 -22.058 54.193 8.882 1.00 54.65 O +ATOM 679 CB PHE A 101 -19.659 56.140 9.974 1.00 54.36 C +ATOM 680 CG PHE A 101 -19.073 57.501 10.287 1.00 51.75 C +ATOM 681 CD1 PHE A 101 -18.051 58.032 9.477 1.00 49.12 C +ATOM 682 CD2 PHE A 101 -19.573 58.258 11.357 1.00 47.72 C +ATOM 683 CE1 PHE A 101 -17.543 59.318 9.734 1.00 44.33 C +ATOM 684 CE2 PHE A 101 -19.067 59.548 11.611 1.00 45.26 C +ATOM 685 CZ PHE A 101 -18.051 60.080 10.801 1.00 45.14 C +ATOM 686 N PRO A 102 -20.350 54.066 7.461 1.00 55.42 N +ATOM 687 CA PRO A 102 -20.589 52.667 7.123 1.00 57.37 C +ATOM 688 C PRO A 102 -20.466 51.767 8.363 1.00 56.76 C +ATOM 689 O PRO A 102 -19.610 52.022 9.214 1.00 56.06 O +ATOM 690 CB PRO A 102 -19.530 52.306 6.081 1.00 57.53 C +ATOM 691 CG PRO A 102 -19.083 53.646 5.523 1.00 54.27 C +ATOM 692 CD PRO A 102 -19.236 54.588 6.709 1.00 55.67 C +ATOM 693 N GLY A 103 -21.289 50.718 8.429 1.00 53.95 N +ATOM 694 CA GLY A 103 -21.156 49.684 9.453 1.00 55.68 C +ATOM 695 C GLY A 103 -19.784 49.011 9.431 1.00 57.01 C +ATOM 696 O GLY A 103 -19.072 49.048 8.422 1.00 55.81 O +ATOM 697 N GLU A 104 -19.401 48.390 10.551 1.00 55.94 N +ATOM 698 CA GLU A 104 -18.127 47.688 10.672 1.00 58.80 C +ATOM 699 C GLU A 104 -18.026 46.557 9.643 1.00 58.72 C +ATOM 700 O GLU A 104 -19.012 45.898 9.300 1.00 58.22 O +ATOM 701 CB GLU A 104 -17.920 47.149 12.094 1.00 57.66 C +ATOM 702 CG GLU A 104 -17.742 48.280 13.125 1.00 52.72 C +ATOM 703 CD GLU A 104 -17.468 47.764 14.559 1.00 50.36 C +ATOM 704 OE1 GLU A 104 -17.069 48.601 15.393 1.00 48.81 O +ATOM 705 OE2 GLU A 104 -17.673 46.562 14.808 1.00 46.74 O +ATOM 706 N ARG A 105 -16.823 46.322 9.119 1.00 58.37 N +ATOM 707 CA ARG A 105 -16.578 45.229 8.184 1.00 59.67 C +ATOM 708 C ARG A 105 -16.754 43.889 8.893 1.00 58.07 C +ATOM 709 O ARG A 105 -16.276 43.726 10.007 1.00 56.42 O +ATOM 710 CB ARG A 105 -15.179 45.398 7.582 1.00 58.86 C +ATOM 711 CG ARG A 105 -14.957 44.502 6.365 1.00 53.38 C +ATOM 712 CD ARG A 105 -13.622 44.867 5.706 1.00 53.15 C +ATOM 713 NE ARG A 105 -13.438 44.147 4.434 1.00 52.68 N +ATOM 714 CZ ARG A 105 -12.316 44.066 3.739 1.00 47.67 C +ATOM 715 NH1 ARG A 105 -11.217 44.650 4.117 1.00 48.36 N +ATOM 716 NH2 ARG A 105 -12.277 43.380 2.636 1.00 47.65 N +ATOM 717 N GLY A 106 -17.410 42.939 8.234 1.00 54.00 N +ATOM 718 CA GLY A 106 -17.558 41.593 8.764 1.00 54.80 C +ATOM 719 C GLY A 106 -16.212 40.934 9.074 1.00 55.07 C +ATOM 720 O GLY A 106 -15.209 41.189 8.394 1.00 53.94 O +ATOM 721 N VAL A 107 -16.188 40.102 10.111 1.00 57.46 N +ATOM 722 CA VAL A 107 -14.987 39.347 10.481 1.00 59.45 C +ATOM 723 C VAL A 107 -14.719 38.245 9.460 1.00 58.86 C +ATOM 724 O VAL A 107 -15.639 37.672 8.877 1.00 57.51 O +ATOM 725 CB VAL A 107 -15.056 38.789 11.909 1.00 58.25 C +ATOM 726 CG1 VAL A 107 -15.062 39.935 12.925 1.00 54.14 C +ATOM 727 CG2 VAL A 107 -16.266 37.897 12.169 1.00 53.79 C +ATOM 728 N GLN A 108 -13.443 37.939 9.238 1.00 60.33 N +ATOM 729 CA GLN A 108 -13.062 36.848 8.362 1.00 62.13 C +ATOM 730 C GLN A 108 -13.518 35.501 8.952 1.00 60.96 C +ATOM 731 O GLN A 108 -13.420 35.297 10.163 1.00 58.68 O +ATOM 732 CB GLN A 108 -11.548 36.909 8.131 1.00 60.60 C +ATOM 733 CG GLN A 108 -11.088 35.947 7.023 1.00 55.64 C +ATOM 734 CD GLN A 108 -9.648 36.189 6.597 1.00 54.44 C +ATOM 735 OE1 GLN A 108 -8.882 36.908 7.211 1.00 53.93 O +ATOM 736 NE2 GLN A 108 -9.212 35.591 5.510 1.00 50.11 N +ATOM 737 N GLY A 109 -13.982 34.596 8.102 1.00 56.49 N +ATOM 738 CA GLY A 109 -14.337 33.240 8.508 1.00 57.27 C +ATOM 739 C GLY A 109 -13.137 32.482 9.092 1.00 57.63 C +ATOM 740 O GLY A 109 -11.991 32.761 8.739 1.00 56.45 O +ATOM 741 N PRO A 110 -13.400 31.524 9.991 1.00 59.88 N +ATOM 742 CA PRO A 110 -12.329 30.710 10.550 1.00 61.29 C +ATOM 743 C PRO A 110 -11.655 29.874 9.449 1.00 59.70 C +ATOM 744 O PRO A 110 -12.285 29.554 8.441 1.00 58.74 O +ATOM 745 CB PRO A 110 -12.999 29.831 11.614 1.00 60.61 C +ATOM 746 CG PRO A 110 -14.431 29.705 11.106 1.00 58.05 C +ATOM 747 CD PRO A 110 -14.687 31.062 10.455 1.00 58.67 C +ATOM 748 N PRO A 111 -10.391 29.465 9.639 1.00 59.47 N +ATOM 749 CA PRO A 111 -9.740 28.519 8.748 1.00 61.05 C +ATOM 750 C PRO A 111 -10.514 27.197 8.653 1.00 58.89 C +ATOM 751 O PRO A 111 -11.116 26.756 9.628 1.00 58.09 O +ATOM 752 CB PRO A 111 -8.344 28.293 9.331 1.00 61.74 C +ATOM 753 CG PRO A 111 -8.093 29.538 10.169 1.00 58.27 C +ATOM 754 CD PRO A 111 -9.478 29.899 10.685 1.00 61.06 C +ATOM 755 N GLY A 112 -10.442 26.558 7.490 1.00 55.33 N +ATOM 756 CA GLY A 112 -10.941 25.201 7.308 1.00 56.52 C +ATOM 757 C GLY A 112 -10.227 24.198 8.213 1.00 57.15 C +ATOM 758 O GLY A 112 -9.086 24.408 8.638 1.00 55.82 O +ATOM 759 N LYS A 113 -10.915 23.092 8.528 1.00 57.76 N +ATOM 760 CA LYS A 113 -10.328 22.004 9.317 1.00 61.51 C +ATOM 761 C LYS A 113 -9.258 21.280 8.503 1.00 60.98 C +ATOM 762 O LYS A 113 -9.352 21.196 7.286 1.00 60.22 O +ATOM 763 CB LYS A 113 -11.413 21.020 9.772 1.00 59.64 C +ATOM 764 CG LYS A 113 -12.414 21.658 10.738 1.00 54.95 C +ATOM 765 CD LYS A 113 -13.452 20.620 11.173 1.00 53.49 C +ATOM 766 CE LYS A 113 -14.472 21.247 12.115 1.00 49.85 C +ATOM 767 NZ LYS A 113 -15.508 20.262 12.516 1.00 45.22 N +ATOM 768 N ASP A 114 -8.272 20.727 9.200 1.00 62.51 N +ATOM 769 CA ASP A 114 -7.276 19.875 8.565 1.00 64.67 C +ATOM 770 C ASP A 114 -7.939 18.639 7.936 1.00 63.83 C +ATOM 771 O ASP A 114 -8.940 18.131 8.445 1.00 61.07 O +ATOM 772 CB ASP A 114 -6.193 19.478 9.571 1.00 62.44 C +ATOM 773 CG ASP A 114 -5.401 20.664 10.127 1.00 58.85 C +ATOM 774 OD1 ASP A 114 -5.303 21.704 9.426 1.00 56.63 O +ATOM 775 OD2 ASP A 114 -4.905 20.560 11.275 1.00 55.51 O +ATOM 776 N GLY A 115 -7.361 18.164 6.833 1.00 56.26 N +ATOM 777 CA GLY A 115 -7.773 16.913 6.216 1.00 57.29 C +ATOM 778 C GLY A 115 -7.549 15.722 7.142 1.00 57.64 C +ATOM 779 O GLY A 115 -6.656 15.723 7.983 1.00 56.29 O +ATOM 780 N GLU A 116 -8.364 14.681 6.982 1.00 54.77 N +ATOM 781 CA GLU A 116 -8.179 13.435 7.723 1.00 58.02 C +ATOM 782 C GLU A 116 -6.875 12.741 7.301 1.00 56.90 C +ATOM 783 O GLU A 116 -6.441 12.833 6.156 1.00 56.45 O +ATOM 784 CB GLU A 116 -9.387 12.505 7.534 1.00 57.17 C +ATOM 785 CG GLU A 116 -10.662 13.091 8.159 1.00 52.51 C +ATOM 786 CD GLU A 116 -11.890 12.168 8.045 1.00 50.18 C +ATOM 787 OE1 GLU A 116 -12.891 12.459 8.749 1.00 48.52 O +ATOM 788 OE2 GLU A 116 -11.856 11.206 7.246 1.00 47.01 O +ATOM 789 N ALA A 117 -6.241 12.030 8.238 1.00 61.25 N +ATOM 790 CA ALA A 117 -5.067 11.232 7.915 1.00 62.53 C +ATOM 791 C ALA A 117 -5.424 10.119 6.918 1.00 61.06 C +ATOM 792 O ALA A 117 -6.500 9.522 6.985 1.00 58.84 O +ATOM 793 CB ALA A 117 -4.458 10.671 9.205 1.00 61.20 C +ATOM 794 N GLY A 118 -4.507 9.830 6.003 1.00 52.35 N +ATOM 795 CA GLY A 118 -4.651 8.713 5.089 1.00 53.83 C +ATOM 796 C GLY A 118 -4.740 7.377 5.827 1.00 54.09 C +ATOM 797 O GLY A 118 -4.126 7.184 6.874 1.00 52.99 O +ATOM 798 N ALA A 119 -5.497 6.437 5.263 1.00 56.24 N +ATOM 799 CA ALA A 119 -5.594 5.095 5.813 1.00 59.18 C +ATOM 800 C ALA A 119 -4.228 4.390 5.781 1.00 58.32 C +ATOM 801 O ALA A 119 -3.402 4.630 4.901 1.00 56.97 O +ATOM 802 CB ALA A 119 -6.665 4.310 5.040 1.00 57.85 C +ATOM 803 N GLN A 120 -3.995 3.482 6.741 1.00 57.81 N +ATOM 804 CA GLN A 120 -2.799 2.653 6.738 1.00 61.22 C +ATOM 805 C GLN A 120 -2.774 1.751 5.499 1.00 59.87 C +ATOM 806 O GLN A 120 -3.791 1.179 5.119 1.00 57.69 O +ATOM 807 CB GLN A 120 -2.755 1.845 8.048 1.00 60.05 C +ATOM 808 CG GLN A 120 -1.415 1.131 8.237 1.00 56.53 C +ATOM 809 CD GLN A 120 -1.285 0.468 9.598 1.00 55.44 C +ATOM 810 OE1 GLN A 120 -2.233 0.269 10.342 1.00 55.54 O +ATOM 811 NE2 GLN A 120 -0.097 0.089 10.001 1.00 51.62 N +ATOM 812 N GLY A 121 -1.602 1.617 4.884 1.00 53.45 N +ATOM 813 CA GLY A 121 -1.407 0.710 3.761 1.00 55.17 C +ATOM 814 C GLY A 121 -1.652 -0.754 4.154 1.00 55.30 C +ATOM 815 O GLY A 121 -1.415 -1.134 5.300 1.00 54.36 O +ATOM 816 N PRO A 122 -2.110 -1.604 3.217 1.00 57.28 N +ATOM 817 CA PRO A 122 -2.283 -3.021 3.470 1.00 59.12 C +ATOM 818 C PRO A 122 -0.938 -3.694 3.786 1.00 57.56 C +ATOM 819 O PRO A 122 0.127 -3.211 3.389 1.00 56.85 O +ATOM 820 CB PRO A 122 -2.930 -3.596 2.212 1.00 58.75 C +ATOM 821 CG PRO A 122 -2.443 -2.661 1.113 1.00 56.74 C +ATOM 822 CD PRO A 122 -2.382 -1.304 1.822 1.00 58.28 C +ATOM 823 N ALA A 123 -0.995 -4.832 4.492 1.00 61.66 N +ATOM 824 CA ALA A 123 0.191 -5.649 4.711 1.00 63.23 C +ATOM 825 C ALA A 123 0.738 -6.192 3.378 1.00 62.25 C +ATOM 826 O ALA A 123 -0.036 -6.571 2.503 1.00 59.61 O +ATOM 827 CB ALA A 123 -0.149 -6.776 5.681 1.00 61.67 C +ATOM 828 N GLY A 124 2.059 -6.245 3.261 1.00 54.78 N +ATOM 829 CA GLY A 124 2.712 -6.866 2.125 1.00 56.29 C +ATOM 830 C GLY A 124 2.362 -8.354 1.991 1.00 56.61 C +ATOM 831 O GLY A 124 2.050 -9.011 2.991 1.00 55.46 O +ATOM 832 N PRO A 125 2.413 -8.908 0.771 1.00 55.91 N +ATOM 833 CA PRO A 125 2.198 -10.325 0.553 1.00 58.24 C +ATOM 834 C PRO A 125 3.272 -11.165 1.266 1.00 56.68 C +ATOM 835 O PRO A 125 4.384 -10.696 1.525 1.00 56.21 O +ATOM 836 CB PRO A 125 2.224 -10.514 -0.968 1.00 57.98 C +ATOM 837 CG PRO A 125 3.136 -9.382 -1.444 1.00 55.77 C +ATOM 838 CD PRO A 125 2.818 -8.253 -0.461 1.00 56.72 C +ATOM 839 N MET A 126 2.934 -12.415 1.581 1.00 59.05 N +ATOM 840 CA MET A 126 3.916 -13.371 2.083 1.00 61.20 C +ATOM 841 C MET A 126 4.951 -13.682 0.995 1.00 60.77 C +ATOM 842 O MET A 126 4.585 -13.840 -0.169 1.00 58.09 O +ATOM 843 CB MET A 126 3.190 -14.634 2.559 1.00 59.54 C +ATOM 844 CG MET A 126 4.102 -15.585 3.320 1.00 54.98 C +ATOM 845 SD MET A 126 3.214 -16.992 4.060 1.00 53.02 S +ATOM 846 CE MET A 126 2.828 -17.940 2.567 1.00 51.39 C +ATOM 847 N GLY A 127 6.218 -13.779 1.372 1.00 52.66 N +ATOM 848 CA GLY A 127 7.277 -14.191 0.460 1.00 54.19 C +ATOM 849 C GLY A 127 7.031 -15.598 -0.108 1.00 54.40 C +ATOM 850 O GLY A 127 6.384 -16.420 0.534 1.00 53.53 O +ATOM 851 N PRO A 128 7.551 -15.893 -1.307 1.00 54.58 N +ATOM 852 CA PRO A 128 7.441 -17.213 -1.898 1.00 57.34 C +ATOM 853 C PRO A 128 8.150 -18.255 -1.018 1.00 55.86 C +ATOM 854 O PRO A 128 9.096 -17.948 -0.294 1.00 55.47 O +ATOM 855 CB PRO A 128 8.071 -17.106 -3.289 1.00 57.33 C +ATOM 856 CG PRO A 128 9.087 -15.979 -3.128 1.00 55.59 C +ATOM 857 CD PRO A 128 8.398 -15.036 -2.132 1.00 56.52 C +ATOM 858 N ALA A 129 7.692 -19.511 -1.102 1.00 61.18 N +ATOM 859 CA ALA A 129 8.415 -20.612 -0.478 1.00 63.31 C +ATOM 860 C ALA A 129 9.811 -20.758 -1.103 1.00 63.29 C +ATOM 861 O ALA A 129 9.979 -20.547 -2.303 1.00 61.12 O +ATOM 862 CB ALA A 129 7.593 -21.899 -0.609 1.00 61.28 C +ATOM 863 N GLY A 130 10.787 -21.156 -0.285 1.00 54.59 N +ATOM 864 CA GLY A 130 12.120 -21.462 -0.777 1.00 56.50 C +ATOM 865 C GLY A 130 12.115 -22.606 -1.798 1.00 57.39 C +ATOM 866 O GLY A 130 11.258 -23.489 -1.773 1.00 56.09 O +ATOM 867 N GLU A 131 13.093 -22.570 -2.686 1.00 54.30 N +ATOM 868 CA GLU A 131 13.242 -23.615 -3.700 1.00 58.74 C +ATOM 869 C GLU A 131 13.526 -24.970 -3.049 1.00 57.93 C +ATOM 870 O GLU A 131 14.101 -25.075 -1.956 1.00 57.03 O +ATOM 871 CB GLU A 131 14.325 -23.235 -4.715 1.00 57.44 C +ATOM 872 CG GLU A 131 13.928 -21.987 -5.527 1.00 52.68 C +ATOM 873 CD GLU A 131 14.921 -21.642 -6.652 1.00 49.59 C +ATOM 874 OE1 GLU A 131 14.525 -20.819 -7.516 1.00 48.34 O +ATOM 875 OE2 GLU A 131 16.044 -22.185 -6.641 1.00 46.38 O +ATOM 876 N ARG A 132 13.087 -26.032 -3.720 1.00 62.15 N +ATOM 877 CA ARG A 132 13.397 -27.381 -3.258 1.00 65.97 C +ATOM 878 C ARG A 132 14.900 -27.619 -3.376 1.00 65.28 C +ATOM 879 O ARG A 132 15.481 -27.351 -4.418 1.00 62.40 O +ATOM 880 CB ARG A 132 12.580 -28.401 -4.063 1.00 63.24 C +ATOM 881 CG ARG A 132 12.850 -29.841 -3.583 1.00 57.49 C +ATOM 882 CD ARG A 132 12.040 -30.860 -4.381 1.00 56.73 C +ATOM 883 NE ARG A 132 10.602 -30.749 -4.115 1.00 55.10 N +ATOM 884 CZ ARG A 132 9.628 -31.363 -4.767 1.00 49.17 C +ATOM 885 NH1 ARG A 132 9.882 -32.180 -5.753 1.00 49.85 N +ATOM 886 NH2 ARG A 132 8.392 -31.167 -4.429 1.00 48.65 N +ATOM 887 N GLY A 133 15.501 -28.205 -2.337 1.00 58.58 N +ATOM 888 CA GLY A 133 16.900 -28.609 -2.383 1.00 59.68 C +ATOM 889 C GLY A 133 17.183 -29.586 -3.524 1.00 60.24 C +ATOM 890 O GLY A 133 16.339 -30.410 -3.882 1.00 58.72 O +ATOM 891 N GLU A 134 18.392 -29.490 -4.067 1.00 55.02 N +ATOM 892 CA GLU A 134 18.825 -30.366 -5.150 1.00 59.81 C +ATOM 893 C GLU A 134 18.837 -31.829 -4.710 1.00 58.76 C +ATOM 894 O GLU A 134 18.969 -32.175 -3.535 1.00 57.57 O +ATOM 895 CB GLU A 134 20.194 -29.935 -5.698 1.00 58.46 C +ATOM 896 CG GLU A 134 20.133 -28.533 -6.349 1.00 54.17 C +ATOM 897 CD GLU A 134 21.432 -28.158 -7.085 1.00 51.24 C +ATOM 898 OE1 GLU A 134 21.350 -27.218 -7.914 1.00 49.94 O +ATOM 899 OE2 GLU A 134 22.462 -28.811 -6.833 1.00 48.26 O +ATOM 900 N LYS A 135 18.635 -32.703 -5.681 1.00 66.31 N +ATOM 901 CA LYS A 135 18.713 -34.137 -5.425 1.00 69.85 C +ATOM 902 C LYS A 135 20.161 -34.508 -5.094 1.00 68.75 C +ATOM 903 O LYS A 135 21.060 -34.116 -5.827 1.00 66.82 O +ATOM 904 CB LYS A 135 18.185 -34.883 -6.652 1.00 66.33 C +ATOM 905 CG LYS A 135 18.042 -36.387 -6.397 1.00 60.96 C +ATOM 906 CD LYS A 135 17.496 -37.074 -7.644 1.00 60.42 C +ATOM 907 CE LYS A 135 17.330 -38.562 -7.358 1.00 57.77 C +ATOM 908 NZ LYS A 135 16.979 -39.325 -8.571 1.00 52.01 N +ATOM 909 N GLY A 136 20.374 -35.288 -4.028 1.00 60.16 N +ATOM 910 CA GLY A 136 21.708 -35.780 -3.692 1.00 60.83 C +ATOM 911 C GLY A 136 22.342 -36.557 -4.842 1.00 61.15 C +ATOM 912 O GLY A 136 21.646 -37.264 -5.577 1.00 59.21 O +ATOM 913 N GLU A 137 23.655 -36.433 -4.969 1.00 55.80 N +ATOM 914 CA GLU A 137 24.405 -37.130 -6.004 1.00 59.67 C +ATOM 915 C GLU A 137 24.297 -38.657 -5.850 1.00 57.58 C +ATOM 916 O GLU A 137 24.144 -39.178 -4.731 1.00 56.34 O +ATOM 917 CB GLU A 137 25.876 -36.693 -6.017 1.00 58.78 C +ATOM 918 CG GLU A 137 26.044 -35.208 -6.404 1.00 55.10 C +ATOM 919 CD GLU A 137 27.522 -34.814 -6.618 1.00 52.51 C +ATOM 920 OE1 GLU A 137 27.741 -33.792 -7.311 1.00 51.04 O +ATOM 921 OE2 GLU A 137 28.407 -35.539 -6.120 1.00 49.99 O +ATOM 922 N PRO A 138 24.346 -39.404 -6.948 1.00 61.29 N +ATOM 923 CA PRO A 138 24.431 -40.855 -6.886 1.00 63.36 C +ATOM 924 C PRO A 138 25.637 -41.310 -6.064 1.00 61.08 C +ATOM 925 O PRO A 138 26.724 -40.737 -6.168 1.00 59.35 O +ATOM 926 CB PRO A 138 24.547 -41.341 -8.334 1.00 63.65 C +ATOM 927 CG PRO A 138 23.947 -40.195 -9.152 1.00 60.12 C +ATOM 928 CD PRO A 138 24.318 -38.965 -8.337 1.00 63.52 C +ATOM 929 N GLY A 139 25.478 -42.381 -5.289 1.00 56.35 N +ATOM 930 CA GLY A 139 26.590 -42.999 -4.587 1.00 57.20 C +ATOM 931 C GLY A 139 27.699 -43.424 -5.551 1.00 57.09 C +ATOM 932 O GLY A 139 27.440 -43.842 -6.679 1.00 55.53 O +ATOM 933 N THR A 140 28.940 -43.334 -5.070 1.00 55.23 N +ATOM 934 CA THR A 140 30.094 -43.760 -5.863 1.00 57.12 C +ATOM 935 C THR A 140 30.013 -45.254 -6.186 1.00 54.81 C +ATOM 936 O THR A 140 29.442 -46.050 -5.448 1.00 53.40 O +ATOM 937 CB THR A 140 31.427 -43.423 -5.185 1.00 57.10 C +ATOM 938 OG1 THR A 140 31.497 -43.989 -3.905 1.00 54.12 O +ATOM 939 CG2 THR A 140 31.610 -41.920 -5.022 1.00 54.93 C +ATOM 940 N GLN A 141 30.596 -45.621 -7.302 1.00 58.03 N +ATOM 941 CA GLN A 141 30.650 -47.021 -7.690 1.00 59.66 C +ATOM 942 C GLN A 141 31.514 -47.828 -6.712 1.00 57.63 C +ATOM 943 O GLN A 141 32.604 -47.396 -6.348 1.00 54.98 O +ATOM 944 CB GLN A 141 31.166 -47.083 -9.123 1.00 58.12 C +ATOM 945 CG GLN A 141 31.082 -48.510 -9.617 1.00 54.52 C +ATOM 946 CD GLN A 141 31.467 -48.662 -11.062 1.00 53.20 C +ATOM 947 OE1 GLN A 141 31.932 -47.791 -11.769 1.00 52.99 O +ATOM 948 NE2 GLN A 141 31.269 -49.861 -11.551 1.00 49.64 N +ATOM 949 N GLY A 142 31.033 -48.997 -6.335 1.00 50.65 N +ATOM 950 CA GLY A 142 31.817 -49.917 -5.508 1.00 51.79 C +ATOM 951 C GLY A 142 33.172 -50.266 -6.131 1.00 51.77 C +ATOM 952 O GLY A 142 33.298 -50.382 -7.354 1.00 50.57 O +ATOM 953 N ALA A 143 34.188 -50.438 -5.264 1.00 51.57 N +ATOM 954 CA ALA A 143 35.510 -50.862 -5.704 1.00 53.82 C +ATOM 955 C ALA A 143 35.439 -52.223 -6.410 1.00 53.17 C +ATOM 956 O ALA A 143 34.574 -53.055 -6.119 1.00 52.08 O +ATOM 957 CB ALA A 143 36.466 -50.873 -4.496 1.00 52.69 C +ATOM 958 N LYS A 144 36.351 -52.442 -7.339 1.00 54.31 N +ATOM 959 CA LYS A 144 36.462 -53.751 -7.981 1.00 57.21 C +ATOM 960 C LYS A 144 36.836 -54.810 -6.938 1.00 56.60 C +ATOM 961 O LYS A 144 37.797 -54.605 -6.202 1.00 55.33 O +ATOM 962 CB LYS A 144 37.492 -53.664 -9.120 1.00 56.02 C +ATOM 963 CG LYS A 144 37.580 -54.960 -9.925 1.00 49.83 C +ATOM 964 CD LYS A 144 38.566 -54.787 -11.079 1.00 49.49 C +ATOM 965 CE LYS A 144 38.642 -56.067 -11.912 1.00 47.94 C +ATOM 966 NZ LYS A 144 39.583 -55.929 -13.029 1.00 43.77 N +ATOM 967 N GLY A 145 36.088 -55.906 -6.876 1.00 46.55 N +ATOM 968 CA GLY A 145 36.368 -56.993 -5.937 1.00 48.26 C +ATOM 969 C GLY A 145 37.736 -57.624 -6.180 1.00 49.24 C +ATOM 970 O GLY A 145 38.126 -57.854 -7.327 1.00 48.12 O +ATOM 971 N ASP A 146 38.447 -57.935 -5.076 1.00 44.75 N +ATOM 972 CA ASP A 146 39.640 -58.763 -5.138 1.00 47.04 C +ATOM 973 C ASP A 146 39.234 -60.182 -5.525 1.00 46.92 C +ATOM 974 O ASP A 146 38.286 -60.751 -4.971 1.00 47.07 O +ATOM 975 CB ASP A 146 40.412 -58.725 -3.812 1.00 46.66 C +ATOM 976 CG ASP A 146 41.135 -57.390 -3.565 1.00 44.46 C +ATOM 977 OD1 ASP A 146 41.598 -56.796 -4.573 1.00 42.59 O +ATOM 978 OD2 ASP A 146 41.256 -57.011 -2.387 1.00 41.17 O +ATOM 979 N ARG A 147 39.908 -60.688 -6.495 1.00 47.03 N +ATOM 980 CA ARG A 147 39.879 -62.079 -6.987 1.00 49.40 C +ATOM 981 C ARG A 147 38.722 -62.964 -6.462 1.00 48.34 C +ATOM 982 O ARG A 147 38.934 -63.852 -5.648 1.00 48.66 O +ATOM 983 CB ARG A 147 41.279 -62.703 -6.740 1.00 50.46 C +ATOM 984 CG ARG A 147 41.686 -63.659 -7.874 1.00 46.41 C +ATOM 985 CD ARG A 147 43.031 -64.361 -7.591 1.00 46.73 C +ATOM 986 NE ARG A 147 44.197 -63.589 -8.047 1.00 46.58 N +ATOM 987 CZ ARG A 147 45.471 -63.864 -7.788 1.00 42.81 C +ATOM 988 NH1 ARG A 147 45.812 -64.869 -7.033 1.00 44.37 N +ATOM 989 NH2 ARG A 147 46.440 -63.132 -8.279 1.00 43.75 N +ATOM 990 N GLY A 148 37.508 -62.747 -6.957 1.00 45.98 N +ATOM 991 CA GLY A 148 36.329 -63.580 -6.715 1.00 47.09 C +ATOM 992 C GLY A 148 35.258 -62.984 -5.789 1.00 47.24 C +ATOM 993 O GLY A 148 34.152 -63.510 -5.776 1.00 45.98 O +ATOM 994 N GLU A 149 35.542 -61.925 -5.088 1.00 46.56 N +ATOM 995 CA GLU A 149 34.549 -61.237 -4.261 1.00 48.73 C +ATOM 996 C GLU A 149 33.963 -60.014 -4.995 1.00 47.49 C +ATOM 997 O GLU A 149 34.670 -59.264 -5.671 1.00 47.19 O +ATOM 998 CB GLU A 149 35.125 -60.848 -2.895 1.00 48.62 C +ATOM 999 CG GLU A 149 35.500 -62.085 -2.050 1.00 45.65 C +ATOM 1000 CD GLU A 149 35.914 -61.751 -0.607 1.00 43.54 C +ATOM 1001 OE1 GLU A 149 35.991 -62.708 0.198 1.00 42.16 O +ATOM 1002 OE2 GLU A 149 36.156 -60.562 -0.311 1.00 42.04 O +ATOM 1003 N THR A 150 32.655 -59.841 -4.860 1.00 50.69 N +ATOM 1004 CA THR A 150 31.974 -58.640 -5.361 1.00 50.83 C +ATOM 1005 C THR A 150 32.437 -57.419 -4.564 1.00 48.63 C +ATOM 1006 O THR A 150 32.492 -57.464 -3.334 1.00 48.35 O +ATOM 1007 CB THR A 150 30.452 -58.803 -5.276 1.00 51.11 C +ATOM 1008 OG1 THR A 150 30.063 -59.963 -5.966 1.00 48.86 O +ATOM 1009 CG2 THR A 150 29.680 -57.639 -5.900 1.00 49.17 C +ATOM 1010 N GLY A 151 32.803 -56.360 -5.238 1.00 47.68 N +ATOM 1011 CA GLY A 151 33.201 -55.124 -4.567 1.00 48.92 C +ATOM 1012 C GLY A 151 32.075 -54.566 -3.685 1.00 49.30 C +ATOM 1013 O GLY A 151 30.901 -54.753 -4.006 1.00 48.33 O +ATOM 1014 N PRO A 152 32.436 -53.886 -2.593 1.00 51.39 N +ATOM 1015 CA PRO A 152 31.427 -53.310 -1.716 1.00 53.84 C +ATOM 1016 C PRO A 152 30.553 -52.303 -2.477 1.00 51.81 C +ATOM 1017 O PRO A 152 31.020 -51.605 -3.382 1.00 52.03 O +ATOM 1018 CB PRO A 152 32.198 -52.653 -0.562 1.00 54.41 C +ATOM 1019 CG PRO A 152 33.557 -52.341 -1.185 1.00 53.13 C +ATOM 1020 CD PRO A 152 33.769 -53.503 -2.166 1.00 53.68 C +ATOM 1021 N VAL A 153 29.288 -52.249 -2.088 1.00 58.91 N +ATOM 1022 CA VAL A 153 28.371 -51.228 -2.610 1.00 61.82 C +ATOM 1023 C VAL A 153 28.913 -49.842 -2.253 1.00 60.70 C +ATOM 1024 O VAL A 153 29.350 -49.618 -1.123 1.00 58.07 O +ATOM 1025 CB VAL A 153 26.945 -51.443 -2.061 1.00 60.26 C +ATOM 1026 CG1 VAL A 153 25.952 -50.394 -2.575 1.00 55.85 C +ATOM 1027 CG2 VAL A 153 26.401 -52.812 -2.474 1.00 57.10 C +ATOM 1028 N GLY A 154 28.889 -48.936 -3.194 1.00 52.69 N +ATOM 1029 CA GLY A 154 29.312 -47.563 -2.954 1.00 54.61 C +ATOM 1030 C GLY A 154 28.469 -46.885 -1.864 1.00 56.52 C +ATOM 1031 O GLY A 154 27.294 -47.225 -1.683 1.00 55.26 O +ATOM 1032 N PRO A 155 29.056 -45.940 -1.138 1.00 55.95 N +ATOM 1033 CA PRO A 155 28.316 -45.224 -0.112 1.00 59.86 C +ATOM 1034 C PRO A 155 27.089 -44.535 -0.719 1.00 58.88 C +ATOM 1035 O PRO A 155 27.078 -44.126 -1.886 1.00 57.77 O +ATOM 1036 CB PRO A 155 29.310 -44.229 0.506 1.00 59.14 C +ATOM 1037 CG PRO A 155 30.313 -44.002 -0.612 1.00 56.12 C +ATOM 1038 CD PRO A 155 30.379 -45.357 -1.314 1.00 55.87 C +ATOM 1039 N ARG A 156 26.033 -44.431 0.082 1.00 60.15 N +ATOM 1040 CA ARG A 156 24.839 -43.691 -0.317 1.00 65.27 C +ATOM 1041 C ARG A 156 25.202 -42.219 -0.533 1.00 62.67 C +ATOM 1042 O ARG A 156 25.867 -41.641 0.316 1.00 59.33 O +ATOM 1043 CB ARG A 156 23.756 -43.863 0.748 1.00 63.40 C +ATOM 1044 CG ARG A 156 22.428 -43.250 0.310 1.00 58.82 C +ATOM 1045 CD ARG A 156 21.378 -43.490 1.382 1.00 58.60 C +ATOM 1046 NE ARG A 156 20.049 -43.110 0.911 1.00 57.01 N +ATOM 1047 CZ ARG A 156 18.903 -43.380 1.522 1.00 51.31 C +ATOM 1048 NH1 ARG A 156 18.862 -43.944 2.700 1.00 51.39 N +ATOM 1049 NH2 ARG A 156 17.784 -43.096 0.945 1.00 50.38 N +ATOM 1050 N GLY A 157 24.720 -41.635 -1.607 1.00 55.38 N +ATOM 1051 CA GLY A 157 24.879 -40.203 -1.841 1.00 56.69 C +ATOM 1052 C GLY A 157 24.287 -39.377 -0.700 1.00 58.60 C +ATOM 1053 O GLY A 157 23.256 -39.746 -0.115 1.00 56.30 O +ATOM 1054 N GLU A 158 24.956 -38.285 -0.377 1.00 56.11 N +ATOM 1055 CA GLU A 158 24.475 -37.371 0.654 1.00 61.84 C +ATOM 1056 C GLU A 158 23.117 -36.783 0.264 1.00 60.74 C +ATOM 1057 O GLU A 158 22.755 -36.653 -0.911 1.00 59.16 O +ATOM 1058 CB GLU A 158 25.512 -36.274 0.950 1.00 59.50 C +ATOM 1059 CG GLU A 158 26.798 -36.876 1.554 1.00 54.53 C +ATOM 1060 CD GLU A 158 27.790 -35.817 2.061 1.00 51.27 C +ATOM 1061 OE1 GLU A 158 28.688 -36.230 2.834 1.00 48.71 O +ATOM 1062 OE2 GLU A 158 27.626 -34.634 1.700 1.00 47.79 O +ATOM 1063 N ARG A 159 22.323 -36.474 1.292 1.00 61.66 N +ATOM 1064 CA ARG A 159 21.040 -35.798 1.057 1.00 65.66 C +ATOM 1065 C ARG A 159 21.337 -34.401 0.516 1.00 62.68 C +ATOM 1066 O ARG A 159 22.154 -33.702 1.092 1.00 59.60 O +ATOM 1067 CB ARG A 159 20.216 -35.775 2.351 1.00 63.88 C +ATOM 1068 CG ARG A 159 18.909 -34.985 2.174 1.00 59.36 C +ATOM 1069 CD ARG A 159 18.064 -34.970 3.443 1.00 59.32 C +ATOM 1070 NE ARG A 159 17.388 -36.257 3.683 1.00 57.57 N +ATOM 1071 CZ ARG A 159 16.578 -36.534 4.685 1.00 52.25 C +ATOM 1072 NH1 ARG A 159 16.310 -35.671 5.621 1.00 52.37 N +ATOM 1073 NH2 ARG A 159 16.010 -37.708 4.765 1.00 51.18 N +ATOM 1074 N GLY A 160 20.620 -33.996 -0.509 1.00 55.79 N +ATOM 1075 CA GLY A 160 20.689 -32.622 -0.983 1.00 56.26 C +ATOM 1076 C GLY A 160 20.356 -31.627 0.127 1.00 56.71 C +ATOM 1077 O GLY A 160 19.504 -31.900 0.981 1.00 54.38 O +ATOM 1078 N GLU A 161 21.043 -30.496 0.129 1.00 53.77 N +ATOM 1079 CA GLU A 161 20.783 -29.428 1.091 1.00 58.32 C +ATOM 1080 C GLU A 161 19.338 -28.922 0.968 1.00 56.31 C +ATOM 1081 O GLU A 161 18.697 -29.010 -0.085 1.00 55.50 O +ATOM 1082 CB GLU A 161 21.795 -28.285 0.932 1.00 57.22 C +ATOM 1083 CG GLU A 161 23.231 -28.739 1.274 1.00 52.60 C +ATOM 1084 CD GLU A 161 24.240 -27.577 1.312 1.00 49.88 C +ATOM 1085 OE1 GLU A 161 25.310 -27.784 1.918 1.00 48.17 O +ATOM 1086 OE2 GLU A 161 23.926 -26.496 0.765 1.00 47.18 O +ATOM 1087 N ALA A 162 18.808 -28.439 2.087 1.00 59.86 N +ATOM 1088 CA ALA A 162 17.500 -27.810 2.059 1.00 61.34 C +ATOM 1089 C ALA A 162 17.556 -26.535 1.200 1.00 60.18 C +ATOM 1090 O ALA A 162 18.545 -25.800 1.235 1.00 57.44 O +ATOM 1091 CB ALA A 162 17.030 -27.522 3.486 1.00 59.86 C +ATOM 1092 N GLY A 163 16.498 -26.276 0.448 1.00 52.18 N +ATOM 1093 CA GLY A 163 16.406 -25.028 -0.301 1.00 53.06 C +ATOM 1094 C GLY A 163 16.461 -23.815 0.632 1.00 52.81 C +ATOM 1095 O GLY A 163 16.037 -23.907 1.785 1.00 51.14 O +ATOM 1096 N PRO A 164 16.965 -22.687 0.147 1.00 52.36 N +ATOM 1097 CA PRO A 164 16.985 -21.472 0.939 1.00 55.10 C +ATOM 1098 C PRO A 164 15.566 -21.071 1.359 1.00 53.55 C +ATOM 1099 O PRO A 164 14.592 -21.357 0.651 1.00 53.13 O +ATOM 1100 CB PRO A 164 17.652 -20.406 0.053 1.00 55.29 C +ATOM 1101 CG PRO A 164 17.356 -20.896 -1.361 1.00 53.59 C +ATOM 1102 CD PRO A 164 17.395 -22.419 -1.220 1.00 54.02 C +ATOM 1103 N ALA A 165 15.451 -20.388 2.492 1.00 54.59 N +ATOM 1104 CA ALA A 165 14.178 -19.812 2.899 1.00 56.94 C +ATOM 1105 C ALA A 165 13.677 -18.804 1.844 1.00 55.17 C +ATOM 1106 O ALA A 165 14.466 -18.123 1.185 1.00 53.56 O +ATOM 1107 CB ALA A 165 14.318 -19.168 4.281 1.00 55.99 C +ATOM 1108 N GLY A 166 12.359 -18.731 1.685 1.00 48.09 N +ATOM 1109 CA GLY A 166 11.756 -17.716 0.835 1.00 49.38 C +ATOM 1110 C GLY A 166 12.106 -16.311 1.330 1.00 49.50 C +ATOM 1111 O GLY A 166 12.240 -16.082 2.525 1.00 48.20 O +ATOM 1112 N LYS A 167 12.250 -15.383 0.401 1.00 50.85 N +ATOM 1113 CA LYS A 167 12.493 -13.983 0.751 1.00 54.64 C +ATOM 1114 C LYS A 167 11.297 -13.410 1.511 1.00 54.09 C +ATOM 1115 O LYS A 167 10.156 -13.801 1.259 1.00 53.08 O +ATOM 1116 CB LYS A 167 12.777 -13.149 -0.508 1.00 52.74 C +ATOM 1117 CG LYS A 167 14.073 -13.581 -1.212 1.00 48.83 C +ATOM 1118 CD LYS A 167 14.316 -12.724 -2.456 1.00 46.77 C +ATOM 1119 CE LYS A 167 15.577 -13.198 -3.177 1.00 44.09 C +ATOM 1120 NZ LYS A 167 15.816 -12.440 -4.433 1.00 40.63 N +ATOM 1121 N ASP A 168 11.579 -12.459 2.391 1.00 53.11 N +ATOM 1122 CA ASP A 168 10.518 -11.728 3.068 1.00 56.25 C +ATOM 1123 C ASP A 168 9.567 -11.073 2.060 1.00 55.72 C +ATOM 1124 O ASP A 168 9.978 -10.630 0.980 1.00 53.96 O +ATOM 1125 CB ASP A 168 11.104 -10.679 4.021 1.00 54.22 C +ATOM 1126 CG ASP A 168 11.860 -11.294 5.202 1.00 51.01 C +ATOM 1127 OD1 ASP A 168 11.602 -12.478 5.524 1.00 48.59 O +ATOM 1128 OD2 ASP A 168 12.690 -10.570 5.795 1.00 47.59 O +ATOM 1129 N GLY A 169 8.285 -11.025 2.417 1.00 49.78 N +ATOM 1130 CA GLY A 169 7.299 -10.313 1.625 1.00 50.76 C +ATOM 1131 C GLY A 169 7.621 -8.824 1.537 1.00 51.32 C +ATOM 1132 O GLY A 169 8.125 -8.222 2.478 1.00 49.76 O +ATOM 1133 N GLU A 170 7.317 -8.238 0.403 1.00 50.82 N +ATOM 1134 CA GLU A 170 7.494 -6.799 0.221 1.00 54.54 C +ATOM 1135 C GLU A 170 6.615 -6.014 1.196 1.00 54.32 C +ATOM 1136 O GLU A 170 5.500 -6.427 1.545 1.00 53.51 O +ATOM 1137 CB GLU A 170 7.211 -6.387 -1.230 1.00 52.96 C +ATOM 1138 CG GLU A 170 8.233 -6.993 -2.208 1.00 47.56 C +ATOM 1139 CD GLU A 170 8.038 -6.515 -3.657 1.00 44.12 C +ATOM 1140 OE1 GLU A 170 8.977 -6.757 -4.459 1.00 41.97 O +ATOM 1141 OE2 GLU A 170 6.975 -5.935 -3.964 1.00 41.48 O +ATOM 1142 N ARG A 171 7.111 -4.860 1.635 1.00 54.97 N +ATOM 1143 CA ARG A 171 6.313 -3.953 2.463 1.00 57.46 C +ATOM 1144 C ARG A 171 5.068 -3.511 1.693 1.00 56.29 C +ATOM 1145 O ARG A 171 5.136 -3.194 0.507 1.00 54.72 O +ATOM 1146 CB ARG A 171 7.185 -2.769 2.918 1.00 56.42 C +ATOM 1147 CG ARG A 171 6.387 -1.816 3.832 1.00 51.51 C +ATOM 1148 CD ARG A 171 7.242 -0.675 4.365 1.00 50.73 C +ATOM 1149 NE ARG A 171 8.076 -1.073 5.512 1.00 49.86 N +ATOM 1150 CZ ARG A 171 8.859 -0.267 6.221 1.00 45.04 C +ATOM 1151 NH1 ARG A 171 9.004 0.995 5.912 1.00 45.63 N +ATOM 1152 NH2 ARG A 171 9.507 -0.730 7.249 1.00 45.55 N +ATOM 1153 N GLY A 172 3.937 -3.457 2.393 1.00 50.43 N +ATOM 1154 CA GLY A 172 2.702 -2.955 1.807 1.00 51.02 C +ATOM 1155 C GLY A 172 2.839 -1.513 1.293 1.00 51.30 C +ATOM 1156 O GLY A 172 3.643 -0.742 1.828 1.00 50.12 O +ATOM 1157 N PRO A 173 2.059 -1.142 0.279 1.00 52.07 N +ATOM 1158 CA PRO A 173 2.082 0.214 -0.243 1.00 54.12 C +ATOM 1159 C PRO A 173 1.657 1.233 0.828 1.00 52.91 C +ATOM 1160 O PRO A 173 0.885 0.913 1.740 1.00 52.71 O +ATOM 1161 CB PRO A 173 1.138 0.218 -1.450 1.00 53.94 C +ATOM 1162 CG PRO A 173 0.155 -0.911 -1.124 1.00 52.29 C +ATOM 1163 CD PRO A 173 1.037 -1.925 -0.391 1.00 52.70 C +ATOM 1164 N VAL A 174 2.136 2.452 0.680 1.00 54.40 N +ATOM 1165 CA VAL A 174 1.706 3.570 1.523 1.00 56.61 C +ATOM 1166 C VAL A 174 0.206 3.815 1.322 1.00 56.21 C +ATOM 1167 O VAL A 174 -0.288 3.744 0.196 1.00 54.81 O +ATOM 1168 CB VAL A 174 2.535 4.838 1.220 1.00 55.29 C +ATOM 1169 CG1 VAL A 174 2.144 6.024 2.106 1.00 51.28 C +ATOM 1170 CG2 VAL A 174 4.031 4.582 1.447 1.00 50.99 C +ATOM 1171 N GLY A 175 -0.510 4.077 2.412 1.00 49.55 N +ATOM 1172 CA GLY A 175 -1.919 4.433 2.335 1.00 50.60 C +ATOM 1173 C GLY A 175 -2.151 5.722 1.525 1.00 50.63 C +ATOM 1174 O GLY A 175 -1.257 6.553 1.426 1.00 49.59 O +ATOM 1175 N PRO A 176 -3.354 5.879 0.958 1.00 50.97 N +ATOM 1176 CA PRO A 176 -3.691 7.090 0.224 1.00 53.91 C +ATOM 1177 C PRO A 176 -3.600 8.329 1.128 1.00 52.58 C +ATOM 1178 O PRO A 176 -3.807 8.230 2.340 1.00 52.22 O +ATOM 1179 CB PRO A 176 -5.109 6.865 -0.309 1.00 54.13 C +ATOM 1180 CG PRO A 176 -5.711 5.890 0.694 1.00 52.84 C +ATOM 1181 CD PRO A 176 -4.512 5.018 1.082 1.00 53.18 C +ATOM 1182 N ALA A 177 -3.330 9.477 0.523 1.00 54.57 N +ATOM 1183 CA ALA A 177 -3.375 10.745 1.235 1.00 57.73 C +ATOM 1184 C ALA A 177 -4.777 11.006 1.821 1.00 56.59 C +ATOM 1185 O ALA A 177 -5.788 10.583 1.249 1.00 54.93 O +ATOM 1186 CB ALA A 177 -2.935 11.876 0.301 1.00 56.81 C +ATOM 1187 N GLY A 178 -4.818 11.679 2.957 1.00 49.05 N +ATOM 1188 CA GLY A 178 -6.070 12.147 3.528 1.00 50.79 C +ATOM 1189 C GLY A 178 -6.782 13.126 2.597 1.00 50.74 C +ATOM 1190 O GLY A 178 -6.151 13.788 1.773 1.00 49.39 O +ATOM 1191 N LYS A 179 -8.097 13.186 2.724 1.00 50.65 N +ATOM 1192 CA LYS A 179 -8.904 14.146 1.961 1.00 54.92 C +ATOM 1193 C LYS A 179 -8.561 15.573 2.391 1.00 53.78 C +ATOM 1194 O LYS A 179 -8.227 15.810 3.548 1.00 53.15 O +ATOM 1195 CB LYS A 179 -10.392 13.875 2.163 1.00 54.26 C +ATOM 1196 CG LYS A 179 -10.819 12.518 1.595 1.00 51.58 C +ATOM 1197 CD LYS A 179 -12.310 12.299 1.848 1.00 49.78 C +ATOM 1198 CE LYS A 179 -12.738 10.921 1.353 1.00 47.43 C +ATOM 1199 NZ LYS A 179 -14.141 10.634 1.733 1.00 42.84 N +ATOM 1200 N ASP A 180 -8.728 16.489 1.467 1.00 52.61 N +ATOM 1201 CA ASP A 180 -8.558 17.903 1.767 1.00 56.09 C +ATOM 1202 C ASP A 180 -9.494 18.354 2.892 1.00 54.92 C +ATOM 1203 O ASP A 180 -10.621 17.861 3.035 1.00 53.40 O +ATOM 1204 CB ASP A 180 -8.770 18.761 0.505 1.00 55.13 C +ATOM 1205 CG ASP A 180 -7.744 18.484 -0.599 1.00 52.88 C +ATOM 1206 OD1 ASP A 180 -6.664 17.937 -0.272 1.00 50.77 O +ATOM 1207 OD2 ASP A 180 -8.048 18.809 -1.763 1.00 49.67 O +ATOM 1208 N GLY A 181 -9.005 19.282 3.701 1.00 51.86 N +ATOM 1209 CA GLY A 181 -9.822 19.918 4.724 1.00 53.04 C +ATOM 1210 C GLY A 181 -11.002 20.674 4.107 1.00 52.82 C +ATOM 1211 O GLY A 181 -10.919 21.201 3.005 1.00 51.14 O +ATOM 1212 N GLN A 182 -12.098 20.717 4.835 1.00 49.20 N +ATOM 1213 CA GLN A 182 -13.258 21.492 4.398 1.00 52.11 C +ATOM 1214 C GLN A 182 -12.936 22.985 4.415 1.00 51.83 C +ATOM 1215 O GLN A 182 -12.227 23.459 5.303 1.00 50.93 O +ATOM 1216 CB GLN A 182 -14.474 21.186 5.278 1.00 51.23 C +ATOM 1217 CG GLN A 182 -14.961 19.742 5.100 1.00 49.18 C +ATOM 1218 CD GLN A 182 -16.191 19.408 5.944 1.00 46.60 C +ATOM 1219 OE1 GLN A 182 -16.597 20.105 6.860 1.00 45.79 O +ATOM 1220 NE2 GLN A 182 -16.835 18.288 5.679 1.00 43.01 N +ATOM 1221 N ASN A 183 -13.508 23.721 3.474 1.00 54.88 N +ATOM 1222 CA ASN A 183 -13.384 25.171 3.453 1.00 57.67 C +ATOM 1223 C ASN A 183 -13.914 25.783 4.761 1.00 56.71 C +ATOM 1224 O ASN A 183 -14.861 25.285 5.367 1.00 54.85 O +ATOM 1225 CB ASN A 183 -14.106 25.758 2.230 1.00 55.96 C +ATOM 1226 CG ASN A 183 -13.453 25.391 0.911 1.00 52.68 C +ATOM 1227 OD1 ASN A 183 -12.360 24.859 0.850 1.00 50.42 O +ATOM 1228 ND2 ASN A 183 -14.094 25.662 -0.202 1.00 48.85 N +ATOM 1229 N GLY A 184 -13.290 26.868 5.170 1.00 51.10 N +ATOM 1230 CA GLY A 184 -13.787 27.664 6.280 1.00 52.21 C +ATOM 1231 C GLY A 184 -15.188 28.214 6.001 1.00 51.92 C +ATOM 1232 O GLY A 184 -15.548 28.469 4.855 1.00 50.48 O +ATOM 1233 N GLN A 185 -15.963 28.380 7.041 1.00 49.23 N +ATOM 1234 CA GLN A 185 -17.288 29.008 6.927 1.00 51.94 C +ATOM 1235 C GLN A 185 -17.138 30.482 6.563 1.00 51.84 C +ATOM 1236 O GLN A 185 -16.172 31.133 6.968 1.00 50.92 O +ATOM 1237 CB GLN A 185 -18.073 28.841 8.229 1.00 50.91 C +ATOM 1238 CG GLN A 185 -18.440 27.371 8.499 1.00 48.31 C +ATOM 1239 CD GLN A 185 -19.242 27.180 9.785 1.00 45.97 C +ATOM 1240 OE1 GLN A 185 -19.349 28.022 10.647 1.00 45.11 O +ATOM 1241 NE2 GLN A 185 -19.824 26.019 9.978 1.00 42.39 N +ATOM 1242 N ASP A 186 -18.129 30.974 5.843 1.00 53.07 N +ATOM 1243 CA ASP A 186 -18.178 32.392 5.527 1.00 55.55 C +ATOM 1244 C ASP A 186 -18.174 33.260 6.790 1.00 54.93 C +ATOM 1245 O ASP A 186 -18.745 32.897 7.829 1.00 53.53 O +ATOM 1246 CB ASP A 186 -19.406 32.716 4.658 1.00 54.30 C +ATOM 1247 CG ASP A 186 -19.371 32.065 3.277 1.00 51.99 C +ATOM 1248 OD1 ASP A 186 -18.268 31.649 2.851 1.00 50.01 O +ATOM 1249 OD2 ASP A 186 -20.446 32.001 2.650 1.00 48.99 O +ATOM 1250 N GLY A 187 -17.513 34.390 6.696 1.00 50.66 N +ATOM 1251 CA GLY A 187 -17.549 35.375 7.766 1.00 51.63 C +ATOM 1252 C GLY A 187 -18.968 35.887 8.012 1.00 51.19 C +ATOM 1253 O GLY A 187 -19.748 36.074 7.081 1.00 49.75 O +ATOM 1254 N LEU A 188 -19.285 36.137 9.262 1.00 48.80 N +ATOM 1255 CA LEU A 188 -20.581 36.712 9.603 1.00 51.75 C +ATOM 1256 C LEU A 188 -20.700 38.130 9.013 1.00 51.41 C +ATOM 1257 O LEU A 188 -19.702 38.858 8.978 1.00 51.27 O +ATOM 1258 CB LEU A 188 -20.777 36.739 11.131 1.00 51.01 C +ATOM 1259 CG LEU A 188 -20.867 35.349 11.789 1.00 48.64 C +ATOM 1260 CD1 LEU A 188 -20.925 35.507 13.310 1.00 47.28 C +ATOM 1261 CD2 LEU A 188 -22.117 34.574 11.345 1.00 46.58 C +ATOM 1262 N PRO A 189 -21.912 38.534 8.606 1.00 53.24 N +ATOM 1263 CA PRO A 189 -22.158 39.916 8.189 1.00 55.24 C +ATOM 1264 C PRO A 189 -21.719 40.920 9.265 1.00 53.95 C +ATOM 1265 O PRO A 189 -21.832 40.663 10.467 1.00 54.05 O +ATOM 1266 CB PRO A 189 -23.668 40.009 7.912 1.00 55.53 C +ATOM 1267 CG PRO A 189 -24.051 38.576 7.554 1.00 52.76 C +ATOM 1268 CD PRO A 189 -23.132 37.738 8.436 1.00 53.77 C +ATOM 1269 N GLY A 190 -21.220 42.037 8.818 1.00 49.62 N +ATOM 1270 CA GLY A 190 -20.935 43.142 9.722 1.00 51.20 C +ATOM 1271 C GLY A 190 -22.213 43.626 10.427 1.00 51.26 C +ATOM 1272 O GLY A 190 -23.293 43.578 9.851 1.00 50.15 O +ATOM 1273 N LYS A 191 -22.051 44.075 11.651 1.00 49.46 N +ATOM 1274 CA LYS A 191 -23.185 44.632 12.395 1.00 52.63 C +ATOM 1275 C LYS A 191 -23.684 45.913 11.724 1.00 51.87 C +ATOM 1276 O LYS A 191 -22.877 46.684 11.206 1.00 51.61 O +ATOM 1277 CB LYS A 191 -22.798 44.903 13.856 1.00 51.97 C +ATOM 1278 CG LYS A 191 -22.480 43.610 14.621 1.00 49.63 C +ATOM 1279 CD LYS A 191 -22.083 43.929 16.058 1.00 48.19 C +ATOM 1280 CE LYS A 191 -21.725 42.639 16.786 1.00 46.14 C +ATOM 1281 NZ LYS A 191 -21.205 42.910 18.154 1.00 42.15 N +ATOM 1282 N ASP A 192 -24.981 46.124 11.805 1.00 51.60 N +ATOM 1283 CA ASP A 192 -25.578 47.371 11.337 1.00 54.58 C +ATOM 1284 C ASP A 192 -24.927 48.586 12.014 1.00 53.33 C +ATOM 1285 O ASP A 192 -24.552 48.548 13.195 1.00 52.11 O +ATOM 1286 CB ASP A 192 -27.095 47.367 11.547 1.00 53.43 C +ATOM 1287 CG ASP A 192 -27.807 46.302 10.711 1.00 50.85 C +ATOM 1288 OD1 ASP A 192 -27.249 45.913 9.657 1.00 48.69 O +ATOM 1289 OD2 ASP A 192 -28.898 45.872 11.138 1.00 47.75 O +ATOM 1290 N GLY A 193 -24.783 49.644 11.253 1.00 49.82 N +ATOM 1291 CA GLY A 193 -24.317 50.910 11.802 1.00 51.55 C +ATOM 1292 C GLY A 193 -25.276 51.413 12.884 1.00 51.11 C +ATOM 1293 O GLY A 193 -26.486 51.301 12.744 1.00 49.95 O +ATOM 1294 N LYS A 194 -24.713 51.968 13.939 1.00 49.25 N +ATOM 1295 CA LYS A 194 -25.546 52.550 14.997 1.00 52.40 C +ATOM 1296 C LYS A 194 -26.353 53.716 14.429 1.00 51.48 C +ATOM 1297 O LYS A 194 -25.799 54.545 13.704 1.00 51.34 O +ATOM 1298 CB LYS A 194 -24.696 53.015 16.185 1.00 51.91 C +ATOM 1299 CG LYS A 194 -24.033 51.838 16.923 1.00 48.90 C +ATOM 1300 CD LYS A 194 -23.184 52.353 18.086 1.00 47.37 C +ATOM 1301 CE LYS A 194 -22.484 51.175 18.775 1.00 44.83 C +ATOM 1302 NZ LYS A 194 -21.535 51.628 19.818 1.00 41.11 N +ATOM 1303 N ASP A 195 -27.620 53.792 14.829 1.00 51.32 N +ATOM 1304 CA ASP A 195 -28.463 54.927 14.477 1.00 54.47 C +ATOM 1305 C ASP A 195 -27.796 56.247 14.870 1.00 52.94 C +ATOM 1306 O ASP A 195 -27.228 56.391 15.960 1.00 51.47 O +ATOM 1307 CB ASP A 195 -29.847 54.814 15.135 1.00 53.48 C +ATOM 1308 CG ASP A 195 -30.667 53.620 14.632 1.00 50.27 C +ATOM 1309 OD1 ASP A 195 -30.426 53.205 13.477 1.00 47.96 O +ATOM 1310 OD2 ASP A 195 -31.501 53.139 15.420 1.00 46.74 O +ATOM 1311 N GLY A 196 -27.862 57.196 13.974 1.00 49.56 N +ATOM 1312 CA GLY A 196 -27.392 58.539 14.271 1.00 52.12 C +ATOM 1313 C GLY A 196 -28.184 59.141 15.440 1.00 51.94 C +ATOM 1314 O GLY A 196 -29.400 58.994 15.504 1.00 50.85 O +ATOM 1315 N GLN A 197 -27.486 59.821 16.326 1.00 46.52 N +ATOM 1316 CA GLN A 197 -28.175 60.529 17.413 1.00 50.53 C +ATOM 1317 C GLN A 197 -29.123 61.576 16.827 1.00 49.82 C +ATOM 1318 O GLN A 197 -28.726 62.346 15.953 1.00 49.61 O +ATOM 1319 CB GLN A 197 -27.168 61.173 18.379 1.00 50.31 C +ATOM 1320 CG GLN A 197 -26.385 60.135 19.188 1.00 47.15 C +ATOM 1321 CD GLN A 197 -25.387 60.757 20.166 1.00 43.77 C +ATOM 1322 OE1 GLN A 197 -25.135 61.952 20.211 1.00 42.46 O +ATOM 1323 NE2 GLN A 197 -24.759 59.964 21.002 1.00 40.03 N +ATOM 1324 N ASN A 198 -30.354 61.598 17.334 1.00 52.96 N +ATOM 1325 CA ASN A 198 -31.316 62.617 16.937 1.00 57.46 C +ATOM 1326 C ASN A 198 -30.707 64.014 17.127 1.00 55.51 C +ATOM 1327 O ASN A 198 -30.175 64.334 18.195 1.00 53.48 O +ATOM 1328 CB ASN A 198 -32.619 62.464 17.733 1.00 56.06 C +ATOM 1329 CG ASN A 198 -33.447 61.250 17.330 1.00 51.31 C +ATOM 1330 OD1 ASN A 198 -33.311 60.704 16.245 1.00 48.94 O +ATOM 1331 ND2 ASN A 198 -34.345 60.797 18.174 1.00 46.40 N +ATOM 1332 N GLY A 199 -30.782 64.793 16.093 1.00 49.93 N +ATOM 1333 CA GLY A 199 -30.429 66.203 16.219 1.00 52.62 C +ATOM 1334 C GLY A 199 -31.306 66.877 17.280 1.00 51.67 C +ATOM 1335 O GLY A 199 -32.481 66.554 17.406 1.00 50.98 O +ATOM 1336 N LYS A 200 -30.692 67.784 18.031 1.00 49.27 N +ATOM 1337 CA LYS A 200 -31.482 68.588 18.971 1.00 55.72 C +ATOM 1338 C LYS A 200 -32.521 69.390 18.188 1.00 53.95 C +ATOM 1339 O LYS A 200 -32.173 69.996 17.175 1.00 55.08 O +ATOM 1340 CB LYS A 200 -30.582 69.522 19.783 1.00 56.13 C +ATOM 1341 CG LYS A 200 -29.643 68.763 20.737 1.00 52.25 C +ATOM 1342 CD LYS A 200 -28.771 69.742 21.523 1.00 49.60 C +ATOM 1343 CE LYS A 200 -27.830 68.976 22.452 1.00 46.35 C +ATOM 1344 NZ LYS A 200 -26.923 69.878 23.186 1.00 40.95 N +ATOM 1345 N ASP A 201 -33.756 69.406 18.699 1.00 53.50 N +ATOM 1346 CA ASP A 201 -34.840 70.169 18.084 1.00 59.26 C +ATOM 1347 C ASP A 201 -34.412 71.626 17.861 1.00 56.20 C +ATOM 1348 O ASP A 201 -33.918 72.307 18.764 1.00 53.77 O +ATOM 1349 CB ASP A 201 -36.105 70.103 18.956 1.00 58.46 C +ATOM 1350 CG ASP A 201 -36.696 68.693 19.071 1.00 54.06 C +ATOM 1351 OD1 ASP A 201 -36.533 67.915 18.100 1.00 50.53 O +ATOM 1352 OD2 ASP A 201 -37.273 68.403 20.135 1.00 48.42 O +ATOM 1353 N GLY A 202 -34.567 72.041 16.620 1.00 51.45 N +ATOM 1354 CA GLY A 202 -34.345 73.438 16.285 1.00 53.41 C +ATOM 1355 C GLY A 202 -35.399 74.333 16.947 1.00 52.59 C +ATOM 1356 O GLY A 202 -36.563 73.963 17.043 1.00 51.31 O +ATOM 1357 N LEU A 203 -34.980 75.518 17.359 1.00 48.53 N +ATOM 1358 CA LEU A 203 -35.927 76.525 17.839 1.00 55.69 C +ATOM 1359 C LEU A 203 -36.937 76.880 16.723 1.00 54.03 C +ATOM 1360 O LEU A 203 -36.529 76.968 15.560 1.00 55.18 O +ATOM 1361 CB LEU A 203 -35.163 77.779 18.303 1.00 55.82 C +ATOM 1362 CG LEU A 203 -34.314 77.590 19.568 1.00 50.31 C +ATOM 1363 CD1 LEU A 203 -33.416 78.796 19.774 1.00 47.63 C +ATOM 1364 CD2 LEU A 203 -35.182 77.407 20.817 1.00 46.54 C +ATOM 1365 N PRO A 204 -38.208 77.093 17.043 1.00 53.20 N +ATOM 1366 CA PRO A 204 -39.214 77.441 16.043 1.00 58.53 C +ATOM 1367 C PRO A 204 -38.774 78.655 15.211 1.00 56.27 C +ATOM 1368 O PRO A 204 -38.503 79.727 15.750 1.00 56.82 O +ATOM 1369 CB PRO A 204 -40.509 77.719 16.822 1.00 59.25 C +ATOM 1370 CG PRO A 204 -40.333 76.934 18.122 1.00 54.44 C +ATOM 1371 CD PRO A 204 -38.842 76.994 18.378 1.00 54.42 C +ATOM 1372 N GLY A 205 -38.723 78.417 13.896 1.00 51.91 N +ATOM 1373 CA GLY A 205 -38.498 79.505 12.957 1.00 55.10 C +ATOM 1374 C GLY A 205 -39.757 80.371 12.823 1.00 55.29 C +ATOM 1375 O GLY A 205 -40.871 79.867 12.893 1.00 54.40 O +ATOM 1376 N LYS A 206 -39.565 81.680 12.621 1.00 53.69 N +ATOM 1377 CA LYS A 206 -40.669 82.582 12.259 1.00 60.71 C +ATOM 1378 C LYS A 206 -41.160 82.243 10.853 1.00 59.19 C +ATOM 1379 O LYS A 206 -40.342 81.986 9.982 1.00 59.77 O +ATOM 1380 CB LYS A 206 -40.204 84.044 12.322 1.00 59.75 C +ATOM 1381 CG LYS A 206 -39.862 84.506 13.743 1.00 55.15 C +ATOM 1382 CD LYS A 206 -39.386 85.963 13.739 1.00 52.18 C +ATOM 1383 CE LYS A 206 -39.049 86.421 15.166 1.00 48.76 C +ATOM 1384 NZ LYS A 206 -38.513 87.791 15.195 1.00 43.17 N +ATOM 1385 N ASP A 207 -42.471 82.276 10.650 1.00 56.91 N +ATOM 1386 CA ASP A 207 -43.112 81.987 9.369 1.00 62.09 C +ATOM 1387 C ASP A 207 -42.442 82.735 8.209 1.00 58.01 C +ATOM 1388 O ASP A 207 -42.377 83.969 8.179 1.00 55.26 O +ATOM 1389 CB ASP A 207 -44.615 82.319 9.442 1.00 61.08 C +ATOM 1390 CG ASP A 207 -45.379 81.481 10.470 1.00 56.74 C +ATOM 1391 OD1 ASP A 207 -44.977 80.323 10.685 1.00 53.32 O +ATOM 1392 OD2 ASP A 207 -46.335 82.035 11.060 1.00 51.20 O +ATOM 1393 N GLY A 208 -41.932 81.956 7.256 1.00 56.22 N +ATOM 1394 CA GLY A 208 -41.361 82.456 6.020 1.00 57.78 C +ATOM 1395 C GLY A 208 -42.412 82.502 4.906 1.00 58.13 C +ATOM 1396 O GLY A 208 -43.261 81.633 4.822 1.00 56.29 O +ATOM 1397 N LYS A 209 -42.313 83.519 4.043 1.00 56.55 N +ATOM 1398 CA LYS A 209 -43.169 83.665 2.852 1.00 63.02 C +ATOM 1399 C LYS A 209 -42.888 82.543 1.849 1.00 61.57 C +ATOM 1400 O LYS A 209 -41.737 82.177 1.667 1.00 61.56 O +ATOM 1401 CB LYS A 209 -42.910 85.029 2.190 1.00 61.55 C +ATOM 1402 CG LYS A 209 -43.317 86.216 3.065 1.00 56.59 C +ATOM 1403 CD LYS A 209 -42.980 87.538 2.359 1.00 53.88 C +ATOM 1404 CE LYS A 209 -43.409 88.734 3.221 1.00 50.28 C +ATOM 1405 NZ LYS A 209 -43.042 90.013 2.588 1.00 44.94 N +ATOM 1406 N ASP A 210 -43.940 82.061 1.158 1.00 58.72 N +ATOM 1407 CA ASP A 210 -43.882 81.005 0.149 1.00 63.46 C +ATOM 1408 C ASP A 210 -42.780 81.235 -0.898 1.00 60.22 C +ATOM 1409 O ASP A 210 -42.723 82.270 -1.564 1.00 56.78 O +ATOM 1410 CB ASP A 210 -45.246 80.864 -0.546 1.00 62.39 C +ATOM 1411 CG ASP A 210 -46.374 80.420 0.390 1.00 58.00 C +ATOM 1412 OD1 ASP A 210 -46.067 79.670 1.337 1.00 54.43 O +ATOM 1413 OD2 ASP A 210 -47.515 80.870 0.159 1.00 52.54 O +ATOM 1414 N GLY A 211 -41.905 80.222 -1.060 1.00 59.77 N +ATOM 1415 CA GLY A 211 -40.863 80.184 -2.082 1.00 61.31 C +ATOM 1416 C GLY A 211 -41.333 79.450 -3.343 1.00 62.14 C +ATOM 1417 O GLY A 211 -42.058 78.469 -3.268 1.00 59.78 O +ATOM 1418 N GLN A 212 -40.900 79.931 -4.518 1.00 52.41 N +ATOM 1419 CA GLN A 212 -41.197 79.326 -5.820 1.00 58.12 C +ATOM 1420 C GLN A 212 -40.481 77.977 -6.000 1.00 57.40 C +ATOM 1421 O GLN A 212 -39.329 77.827 -5.623 1.00 56.29 O +ATOM 1422 CB GLN A 212 -40.780 80.296 -6.944 1.00 57.74 C +ATOM 1423 CG GLN A 212 -41.659 81.560 -6.993 1.00 54.63 C +ATOM 1424 CD GLN A 212 -41.201 82.567 -8.055 1.00 50.11 C +ATOM 1425 OE1 GLN A 212 -40.101 82.540 -8.577 1.00 49.30 O +ATOM 1426 NE2 GLN A 212 -42.026 83.530 -8.389 1.00 45.72 N +ATOM 1427 N ASN A 213 -41.165 76.994 -6.633 1.00 61.55 N +ATOM 1428 CA ASN A 213 -40.654 75.647 -6.904 1.00 66.89 C +ATOM 1429 C ASN A 213 -39.341 75.672 -7.711 1.00 64.14 C +ATOM 1430 O ASN A 213 -39.248 76.299 -8.764 1.00 60.09 O +ATOM 1431 CB ASN A 213 -41.731 74.840 -7.660 1.00 64.17 C +ATOM 1432 CG ASN A 213 -42.938 74.466 -6.817 1.00 59.42 C +ATOM 1433 OD1 ASN A 213 -42.908 74.483 -5.598 1.00 57.18 O +ATOM 1434 ND2 ASN A 213 -44.039 74.106 -7.429 1.00 53.69 N +ATOM 1435 N GLY A 214 -38.349 74.905 -7.241 1.00 58.60 N +ATOM 1436 CA GLY A 214 -37.125 74.597 -7.980 1.00 60.52 C +ATOM 1437 C GLY A 214 -37.354 73.531 -9.057 1.00 60.68 C +ATOM 1438 O GLY A 214 -38.231 72.691 -8.920 1.00 58.56 O +ATOM 1439 N LYS A 215 -36.551 73.561 -10.146 1.00 56.19 N +ATOM 1440 CA LYS A 215 -36.627 72.592 -11.257 1.00 63.92 C +ATOM 1441 C LYS A 215 -35.965 71.260 -10.876 1.00 61.67 C +ATOM 1442 O LYS A 215 -34.901 71.254 -10.271 1.00 61.18 O +ATOM 1443 CB LYS A 215 -35.948 73.161 -12.512 1.00 63.28 C +ATOM 1444 CG LYS A 215 -36.679 74.372 -13.096 1.00 59.51 C +ATOM 1445 CD LYS A 215 -35.956 74.895 -14.346 1.00 56.83 C +ATOM 1446 CE LYS A 215 -36.690 76.103 -14.924 1.00 53.35 C +ATOM 1447 NZ LYS A 215 -35.985 76.664 -16.099 1.00 47.44 N +ATOM 1448 N ASP A 216 -36.590 70.144 -11.319 1.00 60.84 N +ATOM 1449 CA ASP A 216 -36.122 68.789 -11.072 1.00 66.26 C +ATOM 1450 C ASP A 216 -34.717 68.514 -11.654 1.00 63.21 C +ATOM 1451 O ASP A 216 -34.365 68.965 -12.747 1.00 58.37 O +ATOM 1452 CB ASP A 216 -37.131 67.766 -11.632 1.00 64.68 C +ATOM 1453 CG ASP A 216 -38.512 67.865 -10.982 1.00 62.12 C +ATOM 1454 OD1 ASP A 216 -38.564 68.208 -9.784 1.00 58.61 O +ATOM 1455 OD2 ASP A 216 -39.503 67.638 -11.708 1.00 55.61 O +ATOM 1456 N GLY A 217 -33.921 67.759 -10.929 1.00 56.89 N +ATOM 1457 CA GLY A 217 -32.607 67.279 -11.361 1.00 58.72 C +ATOM 1458 C GLY A 217 -32.705 66.083 -12.312 1.00 58.79 C +ATOM 1459 O GLY A 217 -33.644 65.300 -12.250 1.00 56.22 O +ATOM 1460 N LEU A 218 -31.705 65.926 -13.207 1.00 54.63 N +ATOM 1461 CA LEU A 218 -31.654 64.830 -14.185 1.00 60.66 C +ATOM 1462 C LEU A 218 -31.357 63.470 -13.517 1.00 59.83 C +ATOM 1463 O LEU A 218 -30.526 63.418 -12.609 1.00 59.60 O +ATOM 1464 CB LEU A 218 -30.585 65.140 -15.257 1.00 59.66 C +ATOM 1465 CG LEU A 218 -30.913 66.316 -16.180 1.00 55.02 C +ATOM 1466 CD1 LEU A 218 -29.692 66.680 -17.018 1.00 53.12 C +ATOM 1467 CD2 LEU A 218 -32.061 65.992 -17.139 1.00 51.09 C +ATOM 1468 N PRO A 219 -31.948 62.350 -14.010 1.00 57.44 N +ATOM 1469 CA PRO A 219 -31.704 61.004 -13.476 1.00 63.00 C +ATOM 1470 C PRO A 219 -30.243 60.548 -13.638 1.00 59.99 C +ATOM 1471 O PRO A 219 -29.600 60.818 -14.653 1.00 58.50 O +ATOM 1472 CB PRO A 219 -32.655 60.065 -14.232 1.00 63.61 C +ATOM 1473 CG PRO A 219 -33.744 60.974 -14.768 1.00 60.28 C +ATOM 1474 CD PRO A 219 -33.015 62.283 -15.025 1.00 59.70 C +ATOM 1475 N GLY A 220 -29.733 59.799 -12.646 1.00 55.53 N +ATOM 1476 CA GLY A 220 -28.446 59.091 -12.716 1.00 57.62 C +ATOM 1477 C GLY A 220 -28.522 57.839 -13.606 1.00 57.16 C +ATOM 1478 O GLY A 220 -29.591 57.294 -13.818 1.00 55.77 O +ATOM 1479 N LYS A 221 -27.368 57.400 -14.149 1.00 55.25 N +ATOM 1480 CA LYS A 221 -27.278 56.206 -15.015 1.00 63.01 C +ATOM 1481 C LYS A 221 -27.374 54.916 -14.194 1.00 61.98 C +ATOM 1482 O LYS A 221 -26.729 54.815 -13.154 1.00 62.04 O +ATOM 1483 CB LYS A 221 -25.959 56.218 -15.813 1.00 61.74 C +ATOM 1484 CG LYS A 221 -25.881 57.350 -16.832 1.00 58.04 C +ATOM 1485 CD LYS A 221 -24.558 57.289 -17.601 1.00 54.71 C +ATOM 1486 CE LYS A 221 -24.481 58.421 -18.630 1.00 51.79 C +ATOM 1487 NZ LYS A 221 -23.194 58.431 -19.338 1.00 45.71 N +ATOM 1488 N ASP A 222 -28.095 53.901 -14.730 1.00 58.52 N +ATOM 1489 CA ASP A 222 -28.289 52.593 -14.108 1.00 65.19 C +ATOM 1490 C ASP A 222 -26.964 51.832 -13.910 1.00 61.60 C +ATOM 1491 O ASP A 222 -26.051 51.861 -14.745 1.00 58.02 O +ATOM 1492 CB ASP A 222 -29.277 51.754 -14.950 1.00 64.49 C +ATOM 1493 CG ASP A 222 -30.659 52.403 -15.072 1.00 61.89 C +ATOM 1494 OD1 ASP A 222 -31.065 53.087 -14.108 1.00 58.99 O +ATOM 1495 OD2 ASP A 222 -31.264 52.267 -16.154 1.00 55.82 O +ATOM 1496 N GLY A 223 -26.857 51.158 -12.773 1.00 57.84 N +ATOM 1497 CA GLY A 223 -25.773 50.223 -12.463 1.00 59.58 C +ATOM 1498 C GLY A 223 -25.989 48.871 -13.156 1.00 59.43 C +ATOM 1499 O GLY A 223 -27.105 48.513 -13.491 1.00 57.43 O +ATOM 1500 N LYS A 224 -24.879 48.122 -13.392 1.00 56.46 N +ATOM 1501 CA LYS A 224 -24.935 46.793 -14.017 1.00 63.03 C +ATOM 1502 C LYS A 224 -25.497 45.755 -13.031 1.00 62.18 C +ATOM 1503 O LYS A 224 -25.082 45.749 -11.882 1.00 62.48 O +ATOM 1504 CB LYS A 224 -23.538 46.352 -14.483 1.00 61.87 C +ATOM 1505 CG LYS A 224 -22.988 47.202 -15.626 1.00 57.73 C +ATOM 1506 CD LYS A 224 -21.599 46.695 -16.033 1.00 55.25 C +ATOM 1507 CE LYS A 224 -21.037 47.526 -17.189 1.00 52.03 C +ATOM 1508 NZ LYS A 224 -19.689 47.065 -17.558 1.00 46.26 N +ATOM 1509 N ASP A 225 -26.353 44.850 -13.533 1.00 61.63 N +ATOM 1510 CA ASP A 225 -26.961 43.774 -12.762 1.00 68.39 C +ATOM 1511 C ASP A 225 -25.910 42.862 -12.112 1.00 65.02 C +ATOM 1512 O ASP A 225 -24.947 42.422 -12.752 1.00 60.98 O +ATOM 1513 CB ASP A 225 -27.919 42.954 -13.655 1.00 67.14 C +ATOM 1514 CG ASP A 225 -29.076 43.784 -14.223 1.00 63.57 C +ATOM 1515 OD1 ASP A 225 -29.502 44.728 -13.527 1.00 60.48 O +ATOM 1516 OD2 ASP A 225 -29.473 43.496 -15.365 1.00 57.50 O +ATOM 1517 N GLY A 226 -26.090 42.580 -10.832 1.00 60.19 N +ATOM 1518 CA GLY A 226 -25.349 41.564 -10.091 1.00 61.63 C +ATOM 1519 C GLY A 226 -25.958 40.169 -10.294 1.00 62.13 C +ATOM 1520 O GLY A 226 -27.144 40.042 -10.579 1.00 59.79 O +ATOM 1521 N GLN A 227 -25.131 39.126 -10.166 1.00 56.14 N +ATOM 1522 CA GLN A 227 -25.593 37.735 -10.262 1.00 61.42 C +ATOM 1523 C GLN A 227 -26.450 37.358 -9.042 1.00 61.14 C +ATOM 1524 O GLN A 227 -26.087 37.688 -7.915 1.00 59.14 O +ATOM 1525 CB GLN A 227 -24.392 36.780 -10.378 1.00 60.49 C +ATOM 1526 CG GLN A 227 -23.674 36.919 -11.733 1.00 56.91 C +ATOM 1527 CD GLN A 227 -22.462 36.002 -11.873 1.00 51.94 C +ATOM 1528 OE1 GLN A 227 -21.905 35.458 -10.939 1.00 51.34 O +ATOM 1529 NE2 GLN A 227 -21.961 35.822 -13.074 1.00 47.15 N +ATOM 1530 N ASP A 228 -27.541 36.626 -9.290 1.00 62.29 N +ATOM 1531 CA ASP A 228 -28.486 36.201 -8.261 1.00 68.35 C +ATOM 1532 C ASP A 228 -27.808 35.360 -7.172 1.00 65.51 C +ATOM 1533 O ASP A 228 -27.218 34.298 -7.430 1.00 61.32 O +ATOM 1534 CB ASP A 228 -29.647 35.419 -8.899 1.00 66.89 C +ATOM 1535 CG ASP A 228 -30.524 36.257 -9.823 1.00 62.72 C +ATOM 1536 OD1 ASP A 228 -30.689 37.460 -9.537 1.00 59.61 O +ATOM 1537 OD2 ASP A 228 -31.025 35.677 -10.808 1.00 57.00 O +ATOM 1538 N GLY A 229 -27.910 35.800 -5.943 1.00 63.60 N +ATOM 1539 CA GLY A 229 -27.592 35.009 -4.758 1.00 64.95 C +ATOM 1540 C GLY A 229 -28.733 34.046 -4.415 1.00 64.90 C +ATOM 1541 O GLY A 229 -29.890 34.312 -4.705 1.00 62.31 O +ATOM 1542 N LYS A 230 -28.403 32.925 -3.789 1.00 58.26 N +ATOM 1543 CA LYS A 230 -29.417 31.960 -3.332 1.00 64.90 C +ATOM 1544 C LYS A 230 -30.268 32.580 -2.230 1.00 64.15 C +ATOM 1545 O LYS A 230 -29.731 33.164 -1.294 1.00 62.76 O +ATOM 1546 CB LYS A 230 -28.757 30.671 -2.825 1.00 63.29 C +ATOM 1547 CG LYS A 230 -28.064 29.887 -3.950 1.00 59.08 C +ATOM 1548 CD LYS A 230 -27.409 28.625 -3.400 1.00 56.71 C +ATOM 1549 CE LYS A 230 -26.707 27.873 -4.531 1.00 53.52 C +ATOM 1550 NZ LYS A 230 -25.980 26.687 -4.032 1.00 47.42 N +ATOM 1551 N ASP A 231 -31.589 32.356 -2.316 1.00 62.43 N +ATOM 1552 CA ASP A 231 -32.553 32.872 -1.352 1.00 68.19 C +ATOM 1553 C ASP A 231 -32.191 32.466 0.086 1.00 65.40 C +ATOM 1554 O ASP A 231 -32.025 31.289 0.418 1.00 60.53 O +ATOM 1555 CB ASP A 231 -33.965 32.388 -1.697 1.00 66.55 C +ATOM 1556 CG ASP A 231 -34.500 32.941 -3.022 1.00 63.32 C +ATOM 1557 OD1 ASP A 231 -34.136 34.090 -3.351 1.00 60.20 O +ATOM 1558 OD2 ASP A 231 -35.261 32.208 -3.677 1.00 57.59 O +ATOM 1559 N GLY A 232 -32.070 33.431 0.943 1.00 62.36 N +ATOM 1560 CA GLY A 232 -31.961 33.217 2.376 1.00 63.62 C +ATOM 1561 C GLY A 232 -33.295 32.780 2.983 1.00 63.69 C +ATOM 1562 O GLY A 232 -34.358 33.142 2.506 1.00 60.92 O +ATOM 1563 N LEU A 233 -33.224 32.013 4.061 1.00 55.32 N +ATOM 1564 CA LEU A 233 -34.429 31.614 4.798 1.00 60.98 C +ATOM 1565 C LEU A 233 -35.149 32.858 5.366 1.00 60.40 C +ATOM 1566 O LEU A 233 -34.472 33.758 5.863 1.00 59.71 O +ATOM 1567 CB LEU A 233 -34.061 30.638 5.926 1.00 60.47 C +ATOM 1568 CG LEU A 233 -33.571 29.261 5.450 1.00 56.49 C +ATOM 1569 CD1 LEU A 233 -33.031 28.471 6.637 1.00 54.28 C +ATOM 1570 CD2 LEU A 233 -34.683 28.437 4.804 1.00 52.93 C +ATOM 1571 N PRO A 234 -36.501 32.860 5.365 1.00 61.00 N +ATOM 1572 CA PRO A 234 -37.266 33.981 5.894 1.00 66.73 C +ATOM 1573 C PRO A 234 -36.907 34.287 7.355 1.00 63.48 C +ATOM 1574 O PRO A 234 -36.857 33.386 8.202 1.00 61.27 O +ATOM 1575 CB PRO A 234 -38.744 33.603 5.748 1.00 67.36 C +ATOM 1576 CG PRO A 234 -38.747 32.569 4.611 1.00 62.27 C +ATOM 1577 CD PRO A 234 -37.407 31.865 4.777 1.00 61.85 C +ATOM 1578 N GLY A 235 -36.689 35.538 7.643 1.00 62.91 N +ATOM 1579 CA GLY A 235 -36.572 36.003 9.023 1.00 64.93 C +ATOM 1580 C GLY A 235 -37.897 35.838 9.775 1.00 64.46 C +ATOM 1581 O GLY A 235 -38.965 35.876 9.175 1.00 62.79 O +ATOM 1582 N LYS A 236 -37.810 35.640 11.081 1.00 58.86 N +ATOM 1583 CA LYS A 236 -39.014 35.595 11.926 1.00 65.74 C +ATOM 1584 C LYS A 236 -39.632 36.990 12.004 1.00 65.25 C +ATOM 1585 O LYS A 236 -38.904 37.950 12.236 1.00 63.24 O +ATOM 1586 CB LYS A 236 -38.691 35.077 13.333 1.00 63.84 C +ATOM 1587 CG LYS A 236 -38.267 33.604 13.328 1.00 59.90 C +ATOM 1588 CD LYS A 236 -37.958 33.117 14.743 1.00 56.29 C +ATOM 1589 CE LYS A 236 -37.530 31.640 14.706 1.00 53.63 C +ATOM 1590 NZ LYS A 236 -37.160 31.143 16.045 1.00 46.91 N +ATOM 1591 N ASP A 237 -40.955 37.035 11.898 1.00 61.91 N +ATOM 1592 CA ASP A 237 -41.701 38.283 11.995 1.00 68.98 C +ATOM 1593 C ASP A 237 -41.355 39.045 13.284 1.00 65.44 C +ATOM 1594 O ASP A 237 -41.283 38.473 14.383 1.00 60.39 O +ATOM 1595 CB ASP A 237 -43.213 38.020 11.895 1.00 67.54 C +ATOM 1596 CG ASP A 237 -43.630 37.394 10.565 1.00 63.54 C +ATOM 1597 OD1 ASP A 237 -42.972 37.710 9.545 1.00 60.02 O +ATOM 1598 OD2 ASP A 237 -44.571 36.586 10.583 1.00 57.60 O +ATOM 1599 N GLY A 238 -41.131 40.315 13.137 1.00 66.32 N +ATOM 1600 CA GLY A 238 -40.951 41.217 14.273 1.00 66.99 C +ATOM 1601 C GLY A 238 -42.234 41.308 15.098 1.00 65.83 C +ATOM 1602 O GLY A 238 -43.336 41.216 14.571 1.00 63.39 O +ATOM 1603 N LYS A 239 -42.091 41.488 16.402 1.00 62.87 N +ATOM 1604 CA LYS A 239 -43.257 41.707 17.271 1.00 68.81 C +ATOM 1605 C LYS A 239 -43.878 43.064 16.965 1.00 67.79 C +ATOM 1606 O LYS A 239 -43.151 44.052 16.886 1.00 65.26 O +ATOM 1607 CB LYS A 239 -42.867 41.623 18.749 1.00 66.44 C +ATOM 1608 CG LYS A 239 -42.440 40.211 19.174 1.00 61.52 C +ATOM 1609 CD LYS A 239 -42.084 40.184 20.657 1.00 58.34 C +ATOM 1610 CE LYS A 239 -41.663 38.782 21.080 1.00 55.36 C +ATOM 1611 NZ LYS A 239 -41.269 38.736 22.508 1.00 48.74 N +ATOM 1612 N ASP A 240 -45.195 43.060 16.888 1.00 66.91 N +ATOM 1613 CA ASP A 240 -45.951 44.292 16.665 1.00 72.68 C +ATOM 1614 C ASP A 240 -45.574 45.385 17.675 1.00 69.52 C +ATOM 1615 O ASP A 240 -45.431 45.133 18.879 1.00 63.06 O +ATOM 1616 CB ASP A 240 -47.461 44.017 16.717 1.00 70.31 C +ATOM 1617 CG ASP A 240 -47.950 43.082 15.610 1.00 66.27 C +ATOM 1618 OD1 ASP A 240 -47.350 43.117 14.517 1.00 62.69 O +ATOM 1619 OD2 ASP A 240 -48.907 42.333 15.887 1.00 59.91 O +ATOM 1620 N GLY A 241 -45.426 46.582 17.173 1.00 68.37 N +ATOM 1621 CA GLY A 241 -45.190 47.758 18.014 1.00 68.94 C +ATOM 1622 C GLY A 241 -46.392 48.069 18.911 1.00 68.26 C +ATOM 1623 O GLY A 241 -47.539 47.849 18.533 1.00 65.32 O +ATOM 1624 N LEU A 242 -46.113 48.572 20.085 1.00 62.54 N +ATOM 1625 CA LEU A 242 -47.179 48.992 20.999 1.00 67.35 C +ATOM 1626 C LEU A 242 -47.982 50.167 20.401 1.00 66.14 C +ATOM 1627 O LEU A 242 -47.371 51.075 19.824 1.00 64.22 O +ATOM 1628 CB LEU A 242 -46.591 49.385 22.364 1.00 65.66 C +ATOM 1629 CG LEU A 242 -45.973 48.215 23.167 1.00 60.42 C +ATOM 1630 CD1 LEU A 242 -45.221 48.761 24.372 1.00 57.12 C +ATOM 1631 CD2 LEU A 242 -47.044 47.241 23.671 1.00 56.53 C +ATOM 1632 N PRO A 243 -49.312 50.184 20.589 1.00 67.31 N +ATOM 1633 CA PRO A 243 -50.148 51.277 20.098 1.00 72.02 C +ATOM 1634 C PRO A 243 -49.692 52.640 20.650 1.00 69.35 C +ATOM 1635 O PRO A 243 -49.372 52.772 21.835 1.00 65.23 O +ATOM 1636 CB PRO A 243 -51.583 50.954 20.529 1.00 70.98 C +ATOM 1637 CG PRO A 243 -51.575 49.430 20.705 1.00 65.31 C +ATOM 1638 CD PRO A 243 -50.167 49.137 21.185 1.00 65.24 C +ATOM 1639 N GLY A 244 -49.709 53.620 19.789 1.00 70.03 N +ATOM 1640 CA GLY A 244 -49.470 55.002 20.200 1.00 70.92 C +ATOM 1641 C GLY A 244 -50.553 55.494 21.176 1.00 69.45 C +ATOM 1642 O GLY A 244 -51.699 55.062 21.114 1.00 67.15 O +ATOM 1643 N LYS A 245 -50.159 56.387 22.070 1.00 69.16 N +ATOM 1644 CA LYS A 245 -51.126 57.002 22.997 1.00 72.93 C +ATOM 1645 C LYS A 245 -52.026 57.970 22.246 1.00 72.47 C +ATOM 1646 O LYS A 245 -51.524 58.782 21.470 1.00 69.57 O +ATOM 1647 CB LYS A 245 -50.406 57.725 24.148 1.00 69.12 C +ATOM 1648 CG LYS A 245 -49.653 56.758 25.071 1.00 63.49 C +ATOM 1649 CD LYS A 245 -48.971 57.512 26.208 1.00 59.47 C +ATOM 1650 CE LYS A 245 -48.220 56.526 27.110 1.00 57.00 C +ATOM 1651 NZ LYS A 245 -47.489 57.212 28.196 1.00 50.14 N +ATOM 1652 N ASP A 246 -53.315 57.913 22.565 1.00 68.54 N +ATOM 1653 CA ASP A 246 -54.306 58.818 21.991 1.00 73.35 C +ATOM 1654 C ASP A 246 -53.919 60.293 22.182 1.00 69.74 C +ATOM 1655 O ASP A 246 -53.434 60.706 23.243 1.00 63.52 O +ATOM 1656 CB ASP A 246 -55.694 58.532 22.585 1.00 70.49 C +ATOM 1657 CG ASP A 246 -56.212 57.129 22.281 1.00 65.41 C +ATOM 1658 OD1 ASP A 246 -55.889 56.611 21.179 1.00 61.94 O +ATOM 1659 OD2 ASP A 246 -56.891 56.561 23.156 1.00 59.96 O +ATOM 1660 N GLY A 247 -54.141 61.057 21.147 1.00 71.52 N +ATOM 1661 CA GLY A 247 -53.939 62.501 21.191 1.00 71.49 C +ATOM 1662 C GLY A 247 -54.899 63.180 22.176 1.00 70.20 C +ATOM 1663 O GLY A 247 -56.034 62.748 22.351 1.00 67.62 O +ATOM 1664 N LYS A 248 -54.424 64.237 22.785 1.00 69.37 N +ATOM 1665 CA LYS A 248 -55.286 65.017 23.685 1.00 72.63 C +ATOM 1666 C LYS A 248 -56.350 65.765 22.885 1.00 71.55 C +ATOM 1667 O LYS A 248 -56.025 66.407 21.890 1.00 68.73 O +ATOM 1668 CB LYS A 248 -54.462 66.012 24.516 1.00 68.78 C +ATOM 1669 CG LYS A 248 -53.528 65.322 25.517 1.00 62.57 C +ATOM 1670 CD LYS A 248 -52.748 66.370 26.315 1.00 59.12 C +ATOM 1671 CE LYS A 248 -51.804 65.701 27.321 1.00 56.39 C +ATOM 1672 NZ LYS A 248 -51.006 66.706 28.051 1.00 49.82 N +ATOM 1673 N ASP A 249 -57.579 65.714 23.385 1.00 69.62 N +ATOM 1674 CA ASP A 249 -58.703 66.441 22.793 1.00 73.76 C +ATOM 1675 C ASP A 249 -58.401 67.935 22.614 1.00 69.80 C +ATOM 1676 O ASP A 249 -57.857 68.606 23.502 1.00 63.69 O +ATOM 1677 CB ASP A 249 -59.970 66.251 23.639 1.00 71.05 C +ATOM 1678 CG ASP A 249 -60.468 64.808 23.688 1.00 65.66 C +ATOM 1679 OD1 ASP A 249 -60.319 64.114 22.659 1.00 62.09 O +ATOM 1680 OD2 ASP A 249 -60.987 64.422 24.750 1.00 59.78 O +ATOM 1681 N GLY A 250 -58.778 68.435 21.454 1.00 70.69 N +ATOM 1682 CA GLY A 250 -58.657 69.858 21.147 1.00 70.61 C +ATOM 1683 C GLY A 250 -59.543 70.728 22.054 1.00 70.13 C +ATOM 1684 O GLY A 250 -60.668 70.350 22.376 1.00 66.99 O +ATOM 1685 N GLN A 251 -59.025 71.876 22.407 1.00 65.72 N +ATOM 1686 CA GLN A 251 -59.810 72.822 23.211 1.00 68.41 C +ATOM 1687 C GLN A 251 -60.971 73.429 22.406 1.00 67.00 C +ATOM 1688 O GLN A 251 -60.772 73.784 21.244 1.00 64.71 O +ATOM 1689 CB GLN A 251 -58.922 73.941 23.780 1.00 65.96 C +ATOM 1690 CG GLN A 251 -57.948 73.426 24.862 1.00 60.79 C +ATOM 1691 CD GLN A 251 -57.148 74.542 25.523 1.00 55.83 C +ATOM 1692 OE1 GLN A 251 -57.169 75.701 25.154 1.00 55.79 O +ATOM 1693 NE2 GLN A 251 -56.393 74.236 26.568 1.00 50.93 N +ATOM 1694 N PRO A 252 -62.146 73.586 23.020 1.00 66.53 N +ATOM 1695 CA PRO A 252 -63.287 74.183 22.340 1.00 70.46 C +ATOM 1696 C PRO A 252 -63.009 75.623 21.883 1.00 67.42 C +ATOM 1697 O PRO A 252 -62.475 76.433 22.640 1.00 63.55 O +ATOM 1698 CB PRO A 252 -64.453 74.131 23.340 1.00 69.49 C +ATOM 1699 CG PRO A 252 -64.043 73.046 24.341 1.00 63.00 C +ATOM 1700 CD PRO A 252 -62.532 73.132 24.365 1.00 63.68 C +ATOM 1701 N GLY A 253 -63.431 75.900 20.663 1.00 67.93 N +ATOM 1702 CA GLY A 253 -63.336 77.257 20.116 1.00 69.01 C +ATOM 1703 C GLY A 253 -64.160 78.272 20.925 1.00 67.95 C +ATOM 1704 O GLY A 253 -65.254 77.967 21.395 1.00 65.58 O +ATOM 1705 N LYS A 254 -63.619 79.483 21.065 1.00 62.79 N +ATOM 1706 CA LYS A 254 -64.331 80.567 21.752 1.00 68.91 C +ATOM 1707 C LYS A 254 -65.522 81.046 20.913 1.00 66.00 C +ATOM 1708 O LYS A 254 -65.361 81.230 19.706 1.00 65.66 O +ATOM 1709 CB LYS A 254 -63.391 81.741 22.053 1.00 66.46 C +ATOM 1710 CG LYS A 254 -62.337 81.389 23.106 1.00 60.29 C +ATOM 1711 CD LYS A 254 -61.424 82.590 23.404 1.00 57.55 C +ATOM 1712 CE LYS A 254 -60.377 82.208 24.450 1.00 54.63 C +ATOM 1713 NZ LYS A 254 -59.419 83.310 24.720 1.00 48.32 N +ATOM 1714 N PRO A 255 -66.697 81.295 21.527 1.00 63.36 N +ATOM 1715 CA PRO A 255 -67.858 81.782 20.796 1.00 67.77 C +ATOM 1716 C PRO A 255 -67.608 83.197 20.248 1.00 63.53 C +ATOM 1717 O PRO A 255 -67.053 84.055 20.936 1.00 60.03 O +ATOM 1718 CB PRO A 255 -69.027 81.725 21.790 1.00 67.59 C +ATOM 1719 CG PRO A 255 -68.349 81.797 23.154 1.00 62.60 C +ATOM 1720 CD PRO A 255 -67.011 81.124 22.947 1.00 63.68 C +ATOM 1721 N GLY A 256 -68.033 83.358 19.016 1.00 63.62 N +ATOM 1722 CA GLY A 256 -67.994 84.666 18.370 1.00 64.50 C +ATOM 1723 C GLY A 256 -68.891 85.677 19.095 1.00 59.98 C +ATOM 1724 O GLY A 256 -69.980 85.340 19.550 1.00 57.30 O +ATOM 1725 N LYS A 257 -68.421 86.939 19.199 1.00 60.48 N +ATOM 1726 CA LYS A 257 -69.239 88.064 19.676 1.00 67.66 C +ATOM 1727 C LYS A 257 -69.981 88.665 18.482 1.00 61.63 C +ATOM 1728 O LYS A 257 -69.339 88.942 17.477 1.00 58.10 O +ATOM 1729 CB LYS A 257 -68.379 89.121 20.378 1.00 64.61 C +ATOM 1730 CG LYS A 257 -67.833 88.643 21.722 1.00 57.04 C +ATOM 1731 CD LYS A 257 -67.074 89.789 22.432 1.00 54.02 C +ATOM 1732 CE LYS A 257 -66.604 89.362 23.823 1.00 51.35 C +ATOM 1733 NZ LYS A 257 -65.959 90.470 24.540 1.00 45.18 N +ATOM 1734 N TYR A 258 -71.311 88.825 18.652 1.00 70.15 N +ATOM 1735 CA TYR A 258 -72.178 89.623 17.786 1.00 72.43 C +ATOM 1736 C TYR A 258 -71.906 91.113 17.962 1.00 61.23 C +ATOM 1737 O TYR A 258 -71.559 91.510 19.106 1.00 54.39 O +ATOM 1738 CB TYR A 258 -73.651 89.318 18.101 1.00 66.76 C +ATOM 1739 CG TYR A 258 -74.141 87.989 17.557 1.00 58.12 C +ATOM 1740 CD1 TYR A 258 -74.632 87.917 16.243 1.00 53.69 C +ATOM 1741 CD2 TYR A 258 -74.134 86.829 18.362 1.00 52.44 C +ATOM 1742 CE1 TYR A 258 -75.107 86.700 15.724 1.00 49.28 C +ATOM 1743 CE2 TYR A 258 -74.589 85.608 17.846 1.00 60.29 C +ATOM 1744 CZ TYR A 258 -75.085 85.553 16.528 1.00 51.94 C +ATOM 1745 OH TYR A 258 -75.536 84.377 16.028 1.00 53.41 O +ATOM 1746 OXT TYR A 258 -72.080 91.790 16.932 1.00 50.99 O +TER 1747 TYR A 258 +END diff --git a/protein_pdb_452.txt b/protein_pdb_452.txt new file mode 100644 index 0000000000000000000000000000000000000000..7d8d728707a88b64b7d329474817a06977b6844d --- /dev/null +++ b/protein_pdb_452.txt @@ -0,0 +1,1749 @@ +ATOM 1 N GLY A 1 85.186 72.012 8.654 1.00 53.53 N +ATOM 2 CA GLY A 1 84.913 70.857 7.775 1.00 58.06 C +ATOM 3 C GLY A 1 83.419 70.767 7.571 1.00 56.65 C +ATOM 4 O GLY A 1 82.703 71.345 8.383 1.00 54.70 O +ATOM 5 N GLN A 2 82.995 70.212 6.490 1.00 60.12 N +ATOM 6 CA GLN A 2 81.578 69.902 6.338 1.00 63.50 C +ATOM 7 C GLN A 2 81.289 68.623 7.128 1.00 62.70 C +ATOM 8 O GLN A 2 82.000 67.640 6.939 1.00 58.72 O +ATOM 9 CB GLN A 2 81.214 69.728 4.851 1.00 60.97 C +ATOM 10 CG GLN A 2 81.198 71.068 4.090 1.00 55.59 C +ATOM 11 CD GLN A 2 80.905 70.929 2.596 1.00 51.52 C +ATOM 12 OE1 GLN A 2 80.918 69.865 2.001 1.00 50.16 O +ATOM 13 NE2 GLN A 2 80.649 72.013 1.900 1.00 47.01 N +ATOM 14 N ASP A 3 80.266 68.666 7.982 1.00 58.77 N +ATOM 15 CA ASP A 3 79.837 67.476 8.720 1.00 63.18 C +ATOM 16 C ASP A 3 79.433 66.374 7.734 1.00 61.60 C +ATOM 17 O ASP A 3 78.834 66.634 6.676 1.00 57.66 O +ATOM 18 CB ASP A 3 78.691 67.843 9.678 1.00 60.24 C +ATOM 19 CG ASP A 3 79.080 68.927 10.690 1.00 54.42 C +ATOM 20 OD1 ASP A 3 80.266 68.928 11.125 1.00 51.56 O +ATOM 21 OD2 ASP A 3 78.231 69.799 10.962 1.00 50.09 O +ATOM 22 N GLY A 4 79.834 65.166 8.045 1.00 56.68 N +ATOM 23 CA GLY A 4 79.442 64.006 7.261 1.00 57.99 C +ATOM 24 C GLY A 4 77.919 63.890 7.207 1.00 58.01 C +ATOM 25 O GLY A 4 77.244 64.041 8.227 1.00 55.78 O +ATOM 26 N ARG A 5 77.385 63.690 6.024 1.00 60.78 N +ATOM 27 CA ARG A 5 75.938 63.471 5.894 1.00 66.01 C +ATOM 28 C ARG A 5 75.579 62.128 6.524 1.00 64.71 C +ATOM 29 O ARG A 5 76.245 61.137 6.245 1.00 63.02 O +ATOM 30 CB ARG A 5 75.494 63.524 4.430 1.00 63.75 C +ATOM 31 CG ARG A 5 75.654 64.914 3.811 1.00 57.61 C +ATOM 32 CD ARG A 5 75.141 64.905 2.366 1.00 55.44 C +ATOM 33 NE ARG A 5 75.297 66.226 1.726 1.00 52.90 N +ATOM 34 CZ ARG A 5 74.947 66.548 0.491 1.00 47.34 C +ATOM 35 NH1 ARG A 5 74.437 65.655 -0.328 1.00 47.47 N +ATOM 36 NH2 ARG A 5 75.108 67.754 0.056 1.00 46.93 N +ATOM 37 N ASN A 6 74.546 62.135 7.316 1.00 62.96 N +ATOM 38 CA ASN A 6 74.001 60.880 7.844 1.00 66.93 C +ATOM 39 C ASN A 6 73.673 59.926 6.688 1.00 65.66 C +ATOM 40 O ASN A 6 73.207 60.353 5.627 1.00 61.73 O +ATOM 41 CB ASN A 6 72.758 61.171 8.705 1.00 62.73 C +ATOM 42 CG ASN A 6 73.070 61.885 10.015 1.00 56.60 C +ATOM 43 OD1 ASN A 6 74.210 62.162 10.343 1.00 53.44 O +ATOM 44 ND2 ASN A 6 72.077 62.227 10.790 1.00 51.43 N +ATOM 45 N GLY A 7 73.926 58.651 6.888 1.00 59.77 N +ATOM 46 CA GLY A 7 73.550 57.621 5.926 1.00 60.72 C +ATOM 47 C GLY A 7 72.034 57.599 5.696 1.00 61.33 C +ATOM 48 O GLY A 7 71.254 57.846 6.625 1.00 58.79 O +ATOM 49 N GLU A 8 71.670 57.370 4.479 1.00 58.34 N +ATOM 50 CA GLU A 8 70.247 57.232 4.145 1.00 64.02 C +ATOM 51 C GLU A 8 69.646 56.040 4.905 1.00 62.82 C +ATOM 52 O GLU A 8 70.275 54.993 5.067 1.00 60.87 O +ATOM 53 CB GLU A 8 70.059 57.118 2.619 1.00 62.14 C +ATOM 54 CG GLU A 8 70.382 58.436 1.884 1.00 56.73 C +ATOM 55 CD GLU A 8 70.373 58.350 0.338 1.00 53.37 C +ATOM 56 OE1 GLU A 8 70.760 59.354 -0.310 1.00 51.16 O +ATOM 57 OE2 GLU A 8 70.081 57.271 -0.213 1.00 49.72 O +ATOM 58 N ARG A 9 68.403 56.200 5.390 1.00 65.06 N +ATOM 59 CA ARG A 9 67.664 55.111 6.033 1.00 70.49 C +ATOM 60 C ARG A 9 67.477 53.968 5.032 1.00 68.55 C +ATOM 61 O ARG A 9 67.143 54.214 3.876 1.00 63.71 O +ATOM 62 CB ARG A 9 66.321 55.647 6.573 1.00 66.63 C +ATOM 63 CG ARG A 9 65.446 54.547 7.183 1.00 60.46 C +ATOM 64 CD ARG A 9 64.092 55.071 7.664 1.00 59.57 C +ATOM 65 NE ARG A 9 64.082 55.454 9.083 1.00 56.48 N +ATOM 66 CZ ARG A 9 63.127 55.151 9.952 1.00 50.87 C +ATOM 67 NH1 ARG A 9 62.056 54.490 9.615 1.00 50.90 N +ATOM 68 NH2 ARG A 9 63.233 55.490 11.195 1.00 49.97 N +ATOM 69 N GLY A 10 67.717 52.760 5.459 1.00 64.55 N +ATOM 70 CA GLY A 10 67.441 51.585 4.644 1.00 65.46 C +ATOM 71 C GLY A 10 65.966 51.510 4.234 1.00 66.13 C +ATOM 72 O GLY A 10 65.084 51.919 4.994 1.00 63.53 O +ATOM 73 N GLU A 11 65.720 51.029 3.027 1.00 59.86 N +ATOM 74 CA GLU A 11 64.357 50.828 2.544 1.00 66.06 C +ATOM 75 C GLU A 11 63.616 49.810 3.421 1.00 63.80 C +ATOM 76 O GLU A 11 64.186 48.825 3.892 1.00 62.18 O +ATOM 77 CB GLU A 11 64.340 50.380 1.073 1.00 64.29 C +ATOM 78 CG GLU A 11 64.867 51.457 0.106 1.00 59.18 C +ATOM 79 CD GLU A 11 64.768 51.048 -1.382 1.00 57.17 C +ATOM 80 OE1 GLU A 11 64.910 51.963 -2.235 1.00 54.31 O +ATOM 81 OE2 GLU A 11 64.566 49.845 -1.660 1.00 53.53 O +ATOM 82 N GLN A 12 62.319 50.035 3.638 1.00 65.67 N +ATOM 83 CA GLN A 12 61.458 49.096 4.355 1.00 70.48 C +ATOM 84 C GLN A 12 61.378 47.777 3.582 1.00 68.56 C +ATOM 85 O GLN A 12 61.209 47.764 2.364 1.00 63.77 O +ATOM 86 CB GLN A 12 60.081 49.745 4.565 1.00 68.46 C +ATOM 87 CG GLN A 12 59.147 48.873 5.429 1.00 64.18 C +ATOM 88 CD GLN A 12 57.859 49.582 5.818 1.00 61.41 C +ATOM 89 OE1 GLN A 12 57.467 50.592 5.277 1.00 60.00 O +ATOM 90 NE2 GLN A 12 57.134 49.073 6.793 1.00 55.65 N +ATOM 91 N GLY A 13 61.508 46.692 4.283 1.00 67.17 N +ATOM 92 CA GLY A 13 61.337 45.371 3.683 1.00 67.87 C +ATOM 93 C GLY A 13 59.950 45.211 3.060 1.00 68.13 C +ATOM 94 O GLY A 13 58.977 45.798 3.549 1.00 65.95 O +ATOM 95 N PRO A 14 59.834 44.438 1.979 1.00 65.07 N +ATOM 96 CA PRO A 14 58.545 44.217 1.345 1.00 68.14 C +ATOM 97 C PRO A 14 57.566 43.552 2.322 1.00 65.71 C +ATOM 98 O PRO A 14 57.959 42.726 3.150 1.00 63.68 O +ATOM 99 CB PRO A 14 58.822 43.333 0.123 1.00 67.33 C +ATOM 100 CG PRO A 14 60.097 42.581 0.513 1.00 64.90 C +ATOM 101 CD PRO A 14 60.855 43.608 1.361 1.00 66.64 C +ATOM 102 N THR A 15 56.280 43.895 2.189 1.00 69.45 N +ATOM 103 CA THR A 15 55.208 43.208 2.917 1.00 72.34 C +ATOM 104 C THR A 15 55.219 41.713 2.582 1.00 69.58 C +ATOM 105 O THR A 15 55.383 41.336 1.425 1.00 65.66 O +ATOM 106 CB THR A 15 53.845 43.826 2.582 1.00 70.47 C +ATOM 107 OG1 THR A 15 53.884 45.216 2.823 1.00 65.92 O +ATOM 108 CG2 THR A 15 52.694 43.272 3.407 1.00 65.32 C +ATOM 109 N GLY A 16 55.091 40.888 3.592 1.00 65.37 N +ATOM 110 CA GLY A 16 54.981 39.444 3.401 1.00 65.90 C +ATOM 111 C GLY A 16 53.785 39.079 2.515 1.00 66.10 C +ATOM 112 O GLY A 16 52.790 39.804 2.484 1.00 64.39 O +ATOM 113 N PRO A 17 53.864 37.977 1.779 1.00 65.98 N +ATOM 114 CA PRO A 17 52.759 37.544 0.938 1.00 68.64 C +ATOM 115 C PRO A 17 51.506 37.282 1.774 1.00 65.70 C +ATOM 116 O PRO A 17 51.589 36.792 2.907 1.00 63.56 O +ATOM 117 CB PRO A 17 53.251 36.279 0.226 1.00 68.00 C +ATOM 118 CG PRO A 17 54.298 35.713 1.182 1.00 66.78 C +ATOM 119 CD PRO A 17 54.927 36.977 1.795 1.00 69.15 C +ATOM 120 N THR A 18 50.346 37.572 1.208 1.00 69.75 N +ATOM 121 CA THR A 18 49.063 37.200 1.810 1.00 71.51 C +ATOM 122 C THR A 18 49.001 35.684 2.014 1.00 68.56 C +ATOM 123 O THR A 18 49.407 34.918 1.137 1.00 64.57 O +ATOM 124 CB THR A 18 47.894 37.681 0.942 1.00 69.88 C +ATOM 125 OG1 THR A 18 48.004 39.069 0.728 1.00 65.86 O +ATOM 126 CG2 THR A 18 46.522 37.434 1.550 1.00 65.35 C +ATOM 127 N GLY A 19 48.528 35.275 3.164 1.00 67.56 N +ATOM 128 CA GLY A 19 48.351 33.856 3.463 1.00 68.24 C +ATOM 129 C GLY A 19 47.423 33.162 2.450 1.00 69.22 C +ATOM 130 O GLY A 19 46.553 33.806 1.868 1.00 67.51 O +ATOM 131 N PRO A 20 47.594 31.868 2.247 1.00 67.26 N +ATOM 132 CA PRO A 20 46.735 31.126 1.330 1.00 69.74 C +ATOM 133 C PRO A 20 45.272 31.207 1.765 1.00 67.37 C +ATOM 134 O PRO A 20 44.960 31.302 2.957 1.00 65.76 O +ATOM 135 CB PRO A 20 47.264 29.685 1.340 1.00 68.93 C +ATOM 136 CG PRO A 20 47.924 29.555 2.706 1.00 67.65 C +ATOM 137 CD PRO A 20 48.493 30.956 2.954 1.00 70.32 C +ATOM 138 N ALA A 21 44.363 31.147 0.790 1.00 71.59 N +ATOM 139 CA ALA A 21 42.946 31.045 1.085 1.00 73.94 C +ATOM 140 C ALA A 21 42.659 29.793 1.932 1.00 72.97 C +ATOM 141 O ALA A 21 43.270 28.743 1.725 1.00 69.49 O +ATOM 142 CB ALA A 21 42.142 31.045 -0.219 1.00 71.35 C +ATOM 143 N GLY A 22 41.746 29.928 2.869 1.00 65.75 N +ATOM 144 CA GLY A 22 41.313 28.796 3.679 1.00 67.25 C +ATOM 145 C GLY A 22 40.763 27.648 2.821 1.00 68.32 C +ATOM 146 O GLY A 22 40.253 27.886 1.718 1.00 66.31 O +ATOM 147 N PRO A 23 40.859 26.422 3.306 1.00 63.08 N +ATOM 148 CA PRO A 23 40.357 25.275 2.568 1.00 66.75 C +ATOM 149 C PRO A 23 38.860 25.433 2.275 1.00 65.17 C +ATOM 150 O PRO A 23 38.098 26.004 3.064 1.00 63.72 O +ATOM 151 CB PRO A 23 40.649 24.053 3.439 1.00 65.57 C +ATOM 152 CG PRO A 23 40.703 24.622 4.854 1.00 63.41 C +ATOM 153 CD PRO A 23 41.303 26.015 4.635 1.00 65.58 C +ATOM 154 N ARG A 24 38.422 24.909 1.123 1.00 61.68 N +ATOM 155 CA ARG A 24 37.002 24.866 0.781 1.00 66.45 C +ATOM 156 C ARG A 24 36.252 24.048 1.829 1.00 63.37 C +ATOM 157 O ARG A 24 36.699 22.966 2.224 1.00 60.24 O +ATOM 158 CB ARG A 24 36.845 24.307 -0.640 1.00 64.94 C +ATOM 159 CG ARG A 24 35.376 24.185 -1.069 1.00 60.88 C +ATOM 160 CD ARG A 24 35.250 23.650 -2.503 1.00 61.31 C +ATOM 161 NE ARG A 24 35.252 24.717 -3.511 1.00 58.36 N +ATOM 162 CZ ARG A 24 35.301 24.542 -4.826 1.00 52.29 C +ATOM 163 NH1 ARG A 24 35.454 23.356 -5.368 1.00 52.78 N +ATOM 164 NH2 ARG A 24 35.198 25.558 -5.632 1.00 50.93 N +ATOM 165 N GLY A 25 35.092 24.532 2.227 1.00 62.19 N +ATOM 166 CA GLY A 25 34.200 23.779 3.100 1.00 63.76 C +ATOM 167 C GLY A 25 33.827 22.418 2.506 1.00 63.72 C +ATOM 168 O GLY A 25 33.698 22.278 1.286 1.00 60.95 O +ATOM 169 N LEU A 26 33.698 21.437 3.378 1.00 56.11 N +ATOM 170 CA LEU A 26 33.296 20.095 2.966 1.00 60.88 C +ATOM 171 C LEU A 26 31.916 20.139 2.295 1.00 59.44 C +ATOM 172 O LEU A 26 31.033 20.895 2.714 1.00 57.99 O +ATOM 173 CB LEU A 26 33.302 19.129 4.167 1.00 59.54 C +ATOM 174 CG LEU A 26 34.693 18.895 4.798 1.00 55.63 C +ATOM 175 CD1 LEU A 26 34.559 18.009 6.034 1.00 53.78 C +ATOM 176 CD2 LEU A 26 35.668 18.227 3.829 1.00 52.12 C +ATOM 177 N GLN A 27 31.746 19.326 1.254 1.00 60.40 N +ATOM 178 CA GLN A 27 30.432 19.151 0.645 1.00 64.14 C +ATOM 179 C GLN A 27 29.478 18.531 1.668 1.00 60.66 C +ATOM 180 O GLN A 27 29.856 17.606 2.391 1.00 57.67 O +ATOM 181 CB GLN A 27 30.570 18.309 -0.632 1.00 63.51 C +ATOM 182 CG GLN A 27 29.248 18.183 -1.415 1.00 60.91 C +ATOM 183 CD GLN A 27 29.418 17.522 -2.770 1.00 58.74 C +ATOM 184 OE1 GLN A 27 30.500 17.192 -3.212 1.00 57.43 O +ATOM 185 NE2 GLN A 27 28.339 17.316 -3.507 1.00 53.39 N +ATOM 186 N GLY A 28 28.249 19.043 1.724 1.00 60.81 N +ATOM 187 CA GLY A 28 27.210 18.453 2.552 1.00 62.82 C +ATOM 188 C GLY A 28 26.954 16.990 2.174 1.00 62.23 C +ATOM 189 O GLY A 28 27.077 16.617 1.007 1.00 59.71 O +ATOM 190 N LEU A 29 26.617 16.188 3.168 1.00 56.33 N +ATOM 191 CA LEU A 29 26.280 14.784 2.935 1.00 61.06 C +ATOM 192 C LEU A 29 25.047 14.684 2.030 1.00 60.44 C +ATOM 193 O LEU A 29 24.109 15.483 2.152 1.00 58.76 O +ATOM 194 CB LEU A 29 26.040 14.052 4.269 1.00 59.28 C +ATOM 195 CG LEU A 29 27.282 13.950 5.176 1.00 55.24 C +ATOM 196 CD1 LEU A 29 26.904 13.297 6.506 1.00 53.20 C +ATOM 197 CD2 LEU A 29 28.398 13.109 4.540 1.00 51.32 C +ATOM 198 N GLN A 30 25.040 13.688 1.147 1.00 58.30 N +ATOM 199 CA GLN A 30 23.873 13.400 0.325 1.00 62.90 C +ATOM 200 C GLN A 30 22.675 13.065 1.217 1.00 59.68 C +ATOM 201 O GLN A 30 22.801 12.312 2.188 1.00 56.69 O +ATOM 202 CB GLN A 30 24.215 12.255 -0.640 1.00 62.29 C +ATOM 203 CG GLN A 30 23.085 12.021 -1.663 1.00 59.45 C +ATOM 204 CD GLN A 30 23.490 11.062 -2.779 1.00 57.35 C +ATOM 205 OE1 GLN A 30 24.322 10.185 -2.630 1.00 55.94 O +ATOM 206 NE2 GLN A 30 22.896 11.189 -3.947 1.00 52.37 N +ATOM 207 N GLY A 31 21.513 13.615 0.880 1.00 55.00 N +ATOM 208 CA GLY A 31 20.272 13.300 1.572 1.00 57.34 C +ATOM 209 C GLY A 31 19.944 11.806 1.491 1.00 57.13 C +ATOM 210 O GLY A 31 20.215 11.150 0.488 1.00 55.01 O +ATOM 211 N LEU A 32 19.357 11.283 2.554 1.00 53.84 N +ATOM 212 CA LEU A 32 18.922 9.888 2.578 1.00 58.56 C +ATOM 213 C LEU A 32 17.871 9.649 1.484 1.00 58.01 C +ATOM 214 O LEU A 32 17.034 10.501 1.206 1.00 56.65 O +ATOM 215 CB LEU A 32 18.378 9.510 3.966 1.00 57.11 C +ATOM 216 CG LEU A 32 19.415 9.570 5.097 1.00 53.40 C +ATOM 217 CD1 LEU A 32 18.751 9.263 6.438 1.00 51.44 C +ATOM 218 CD2 LEU A 32 20.562 8.568 4.896 1.00 49.97 C +ATOM 219 N GLN A 33 17.936 8.474 0.877 1.00 57.91 N +ATOM 220 CA GLN A 33 16.919 8.055 -0.080 1.00 62.90 C +ATOM 221 C GLN A 33 15.548 8.005 0.606 1.00 60.19 C +ATOM 222 O GLN A 33 15.432 7.470 1.712 1.00 57.19 O +ATOM 223 CB GLN A 33 17.313 6.704 -0.690 1.00 61.36 C +ATOM 224 CG GLN A 33 16.367 6.291 -1.829 1.00 57.78 C +ATOM 225 CD GLN A 33 16.790 5.008 -2.539 1.00 55.49 C +ATOM 226 OE1 GLN A 33 17.707 4.299 -2.169 1.00 54.86 O +ATOM 227 NE2 GLN A 33 16.117 4.652 -3.615 1.00 51.83 N +ATOM 228 N GLY A 34 14.522 8.519 -0.068 1.00 54.80 N +ATOM 229 CA GLY A 34 13.152 8.441 0.423 1.00 57.60 C +ATOM 230 C GLY A 34 12.698 6.992 0.642 1.00 58.41 C +ATOM 231 O GLY A 34 13.104 6.078 -0.070 1.00 56.26 O +ATOM 232 N GLU A 35 11.845 6.814 1.652 1.00 51.92 N +ATOM 233 CA GLU A 35 11.285 5.499 1.940 1.00 58.04 C +ATOM 234 C GLU A 35 10.490 4.974 0.744 1.00 57.42 C +ATOM 235 O GLU A 35 9.860 5.718 -0.010 1.00 56.61 O +ATOM 236 CB GLU A 35 10.419 5.526 3.203 1.00 56.33 C +ATOM 237 CG GLU A 35 11.263 5.842 4.457 1.00 51.64 C +ATOM 238 CD GLU A 35 10.471 5.703 5.770 1.00 48.33 C +ATOM 239 OE1 GLU A 35 11.146 5.624 6.816 1.00 46.04 O +ATOM 240 OE2 GLU A 35 9.228 5.669 5.710 1.00 45.54 O +ATOM 241 N ARG A 36 10.556 3.660 0.555 1.00 59.47 N +ATOM 242 CA ARG A 36 9.781 3.018 -0.506 1.00 64.69 C +ATOM 243 C ARG A 36 8.298 3.094 -0.174 1.00 61.79 C +ATOM 244 O ARG A 36 7.901 2.745 0.933 1.00 58.64 O +ATOM 245 CB ARG A 36 10.273 1.572 -0.684 1.00 63.11 C +ATOM 246 CG ARG A 36 9.492 0.851 -1.788 1.00 59.10 C +ATOM 247 CD ARG A 36 10.073 -0.531 -2.069 1.00 58.93 C +ATOM 248 NE ARG A 36 11.264 -0.476 -2.947 1.00 57.25 N +ATOM 249 CZ ARG A 36 11.717 -1.464 -3.712 1.00 52.47 C +ATOM 250 NH1 ARG A 36 11.168 -2.635 -3.719 1.00 52.91 N +ATOM 251 NH2 ARG A 36 12.739 -1.285 -4.491 1.00 51.43 N +ATOM 252 N GLY A 37 7.492 3.471 -1.160 1.00 58.25 N +ATOM 253 CA GLY A 37 6.043 3.506 -1.007 1.00 60.19 C +ATOM 254 C GLY A 37 5.463 2.159 -0.573 1.00 61.11 C +ATOM 255 O GLY A 37 5.964 1.093 -0.936 1.00 58.96 O +ATOM 256 N GLU A 38 4.399 2.228 0.227 1.00 53.98 N +ATOM 257 CA GLU A 38 3.691 1.043 0.694 1.00 59.89 C +ATOM 258 C GLU A 38 3.130 0.240 -0.486 1.00 58.64 C +ATOM 259 O GLU A 38 2.759 0.769 -1.533 1.00 58.00 O +ATOM 260 CB GLU A 38 2.576 1.403 1.676 1.00 58.44 C +ATOM 261 CG GLU A 38 3.128 2.005 2.987 1.00 53.65 C +ATOM 262 CD GLU A 38 2.041 2.193 4.055 1.00 51.01 C +ATOM 263 OE1 GLU A 38 2.418 2.371 5.232 1.00 48.44 O +ATOM 264 OE2 GLU A 38 0.835 2.125 3.704 1.00 47.83 O +ATOM 265 N GLN A 39 3.087 -1.072 -0.304 1.00 64.78 N +ATOM 266 CA GLN A 39 2.485 -1.940 -1.304 1.00 68.46 C +ATOM 267 C GLN A 39 0.975 -1.698 -1.361 1.00 66.17 C +ATOM 268 O GLN A 39 0.318 -1.696 -0.328 1.00 62.23 O +ATOM 269 CB GLN A 39 2.845 -3.397 -0.991 1.00 66.98 C +ATOM 270 CG GLN A 39 2.288 -4.336 -2.050 1.00 64.30 C +ATOM 271 CD GLN A 39 2.938 -5.714 -2.036 1.00 62.34 C +ATOM 272 OE1 GLN A 39 3.461 -6.229 -1.063 1.00 61.84 O +ATOM 273 NE2 GLN A 39 2.946 -6.384 -3.167 1.00 58.08 N +ATOM 274 N GLY A 40 0.434 -1.551 -2.565 1.00 60.29 N +ATOM 275 CA GLY A 40 -1.003 -1.397 -2.744 1.00 61.89 C +ATOM 276 C GLY A 40 -1.793 -2.566 -2.145 1.00 62.11 C +ATOM 277 O GLY A 40 -1.305 -3.700 -2.110 1.00 60.13 O +ATOM 278 N PRO A 41 -3.027 -2.307 -1.671 1.00 60.86 N +ATOM 279 CA PRO A 41 -3.864 -3.345 -1.098 1.00 64.51 C +ATOM 280 C PRO A 41 -4.154 -4.449 -2.128 1.00 62.92 C +ATOM 281 O PRO A 41 -4.214 -4.209 -3.328 1.00 61.46 O +ATOM 282 CB PRO A 41 -5.137 -2.642 -0.615 1.00 63.79 C +ATOM 283 CG PRO A 41 -5.225 -1.415 -1.523 1.00 62.46 C +ATOM 284 CD PRO A 41 -3.759 -1.045 -1.738 1.00 65.96 C +ATOM 285 N THR A 42 -4.357 -5.658 -1.627 1.00 65.46 N +ATOM 286 CA THR A 42 -4.804 -6.767 -2.477 1.00 67.13 C +ATOM 287 C THR A 42 -6.184 -6.445 -3.039 1.00 64.67 C +ATOM 288 O THR A 42 -7.054 -5.977 -2.308 1.00 61.28 O +ATOM 289 CB THR A 42 -4.836 -8.079 -1.690 1.00 65.65 C +ATOM 290 OG1 THR A 42 -3.559 -8.330 -1.143 1.00 61.76 O +ATOM 291 CG2 THR A 42 -5.185 -9.290 -2.542 1.00 61.95 C +ATOM 292 N GLY A 43 -6.386 -6.683 -4.331 1.00 58.67 N +ATOM 293 CA GLY A 43 -7.678 -6.493 -4.965 1.00 60.12 C +ATOM 294 C GLY A 43 -8.789 -7.305 -4.276 1.00 60.53 C +ATOM 295 O GLY A 43 -8.518 -8.357 -3.689 1.00 58.96 O +ATOM 296 N PRO A 44 -10.037 -6.817 -4.333 1.00 60.56 N +ATOM 297 CA PRO A 44 -11.164 -7.523 -3.738 1.00 63.52 C +ATOM 298 C PRO A 44 -11.311 -8.919 -4.356 1.00 62.16 C +ATOM 299 O PRO A 44 -10.984 -9.141 -5.523 1.00 60.93 O +ATOM 300 CB PRO A 44 -12.389 -6.638 -3.987 1.00 62.95 C +ATOM 301 CG PRO A 44 -12.006 -5.857 -5.243 1.00 61.92 C +ATOM 302 CD PRO A 44 -10.497 -5.658 -5.079 1.00 64.93 C +ATOM 303 N ALA A 45 -11.841 -9.846 -3.559 1.00 64.76 N +ATOM 304 CA ALA A 45 -12.192 -11.160 -4.080 1.00 67.00 C +ATOM 305 C ALA A 45 -13.227 -11.022 -5.212 1.00 66.86 C +ATOM 306 O ALA A 45 -14.133 -10.195 -5.131 1.00 64.02 O +ATOM 307 CB ALA A 45 -12.705 -12.051 -2.945 1.00 64.53 C +ATOM 308 N GLY A 46 -13.080 -11.846 -6.238 1.00 57.65 N +ATOM 309 CA GLY A 46 -14.050 -11.906 -7.318 1.00 59.67 C +ATOM 310 C GLY A 46 -15.463 -12.221 -6.806 1.00 60.62 C +ATOM 311 O GLY A 46 -15.626 -12.835 -5.745 1.00 59.05 O +ATOM 312 N PRO A 47 -16.496 -11.799 -7.552 1.00 60.68 N +ATOM 313 CA PRO A 47 -17.870 -12.068 -7.163 1.00 64.39 C +ATOM 314 C PRO A 47 -18.099 -13.572 -7.025 1.00 64.25 C +ATOM 315 O PRO A 47 -17.514 -14.388 -7.744 1.00 62.92 O +ATOM 316 CB PRO A 47 -18.744 -11.443 -8.253 1.00 63.18 C +ATOM 317 CG PRO A 47 -17.826 -11.429 -9.477 1.00 61.44 C +ATOM 318 CD PRO A 47 -16.443 -11.193 -8.866 1.00 63.97 C +ATOM 319 N ARG A 48 -18.977 -13.932 -6.082 1.00 64.49 N +ATOM 320 CA ARG A 48 -19.404 -15.324 -5.941 1.00 68.48 C +ATOM 321 C ARG A 48 -20.097 -15.776 -7.222 1.00 67.29 C +ATOM 322 O ARG A 48 -20.963 -15.061 -7.732 1.00 63.65 O +ATOM 323 CB ARG A 48 -20.297 -15.451 -4.704 1.00 65.65 C +ATOM 324 CG ARG A 48 -20.832 -16.885 -4.528 1.00 60.64 C +ATOM 325 CD ARG A 48 -21.667 -17.023 -3.256 1.00 60.69 C +ATOM 326 NE ARG A 48 -20.844 -17.254 -2.067 1.00 57.70 N +ATOM 327 CZ ARG A 48 -21.260 -17.233 -0.814 1.00 51.09 C +ATOM 328 NH1 ARG A 48 -22.493 -16.918 -0.497 1.00 51.48 N +ATOM 329 NH2 ARG A 48 -20.447 -17.531 0.160 1.00 49.61 N +ATOM 330 N GLY A 49 -19.764 -16.970 -7.688 1.00 59.38 N +ATOM 331 CA GLY A 49 -20.450 -17.593 -8.811 1.00 61.09 C +ATOM 332 C GLY A 49 -21.961 -17.685 -8.568 1.00 62.20 C +ATOM 333 O GLY A 49 -22.424 -17.851 -7.434 1.00 60.39 O +ATOM 334 N LEU A 50 -22.724 -17.539 -9.642 1.00 61.21 N +ATOM 335 CA LEU A 50 -24.172 -17.656 -9.577 1.00 64.79 C +ATOM 336 C LEU A 50 -24.555 -19.043 -9.060 1.00 64.60 C +ATOM 337 O LEU A 50 -23.888 -20.044 -9.340 1.00 62.79 O +ATOM 338 CB LEU A 50 -24.807 -17.366 -10.950 1.00 62.84 C +ATOM 339 CG LEU A 50 -24.620 -15.925 -11.456 1.00 59.28 C +ATOM 340 CD1 LEU A 50 -25.219 -15.782 -12.850 1.00 57.53 C +ATOM 341 CD2 LEU A 50 -25.271 -14.894 -10.535 1.00 55.90 C +ATOM 342 N GLN A 51 -25.627 -19.085 -8.263 1.00 68.74 N +ATOM 343 CA GLN A 51 -26.151 -20.355 -7.795 1.00 71.42 C +ATOM 344 C GLN A 51 -26.693 -21.137 -8.992 1.00 70.26 C +ATOM 345 O GLN A 51 -27.428 -20.568 -9.791 1.00 66.81 O +ATOM 346 CB GLN A 51 -27.209 -20.080 -6.728 1.00 68.29 C +ATOM 347 CG GLN A 51 -27.823 -21.373 -6.194 1.00 64.00 C +ATOM 348 CD GLN A 51 -28.435 -21.161 -4.825 1.00 61.90 C +ATOM 349 OE1 GLN A 51 -29.208 -20.261 -4.535 1.00 60.04 O +ATOM 350 NE2 GLN A 51 -28.089 -22.000 -3.882 1.00 56.05 N +ATOM 351 N GLY A 52 -26.358 -22.411 -9.067 1.00 62.74 N +ATOM 352 CA GLY A 52 -26.909 -23.284 -10.089 1.00 64.12 C +ATOM 353 C GLY A 52 -28.442 -23.274 -10.063 1.00 65.22 C +ATOM 354 O GLY A 52 -29.070 -23.145 -9.009 1.00 63.42 O +ATOM 355 N GLU A 53 -29.039 -23.374 -11.251 1.00 60.02 N +ATOM 356 CA GLU A 53 -30.486 -23.426 -11.391 1.00 63.94 C +ATOM 357 C GLU A 53 -31.064 -24.614 -10.627 1.00 63.73 C +ATOM 358 O GLU A 53 -30.423 -25.652 -10.434 1.00 62.76 O +ATOM 359 CB GLU A 53 -30.901 -23.444 -12.865 1.00 61.77 C +ATOM 360 CG GLU A 53 -30.514 -22.129 -13.580 1.00 57.28 C +ATOM 361 CD GLU A 53 -31.067 -22.026 -15.009 1.00 54.32 C +ATOM 362 OE1 GLU A 53 -31.040 -20.885 -15.533 1.00 52.00 O +ATOM 363 OE2 GLU A 53 -31.494 -23.062 -15.548 1.00 50.11 O +ATOM 364 N ARG A 54 -32.284 -24.418 -10.121 1.00 67.75 N +ATOM 365 CA ARG A 54 -32.991 -25.497 -9.438 1.00 70.97 C +ATOM 366 C ARG A 54 -33.307 -26.584 -10.455 1.00 69.85 C +ATOM 367 O ARG A 54 -33.873 -26.277 -11.497 1.00 66.34 O +ATOM 368 CB ARG A 54 -34.255 -24.933 -8.794 1.00 67.56 C +ATOM 369 CG ARG A 54 -34.936 -25.933 -7.870 1.00 62.89 C +ATOM 370 CD ARG A 54 -36.192 -25.282 -7.279 1.00 63.23 C +ATOM 371 NE ARG A 54 -36.527 -25.844 -5.976 1.00 60.26 N +ATOM 372 CZ ARG A 54 -37.651 -25.679 -5.315 1.00 54.83 C +ATOM 373 NH1 ARG A 54 -38.649 -25.015 -5.801 1.00 54.78 N +ATOM 374 NH2 ARG A 54 -37.787 -26.190 -4.130 1.00 53.10 N +ATOM 375 N GLY A 55 -32.989 -27.816 -10.123 1.00 64.15 N +ATOM 376 CA GLY A 55 -33.368 -28.935 -10.968 1.00 64.98 C +ATOM 377 C GLY A 55 -34.873 -28.955 -11.224 1.00 65.91 C +ATOM 378 O GLY A 55 -35.672 -28.594 -10.354 1.00 64.05 O +ATOM 379 N GLU A 56 -35.255 -29.383 -12.424 1.00 59.68 N +ATOM 380 CA GLU A 56 -36.662 -29.513 -12.804 1.00 63.98 C +ATOM 381 C GLU A 56 -37.391 -30.477 -11.869 1.00 62.72 C +ATOM 382 O GLU A 56 -36.829 -31.438 -11.330 1.00 61.62 O +ATOM 383 CB GLU A 56 -36.802 -29.968 -14.261 1.00 62.25 C +ATOM 384 CG GLU A 56 -36.271 -28.923 -15.260 1.00 57.88 C +ATOM 385 CD GLU A 56 -36.549 -29.297 -16.729 1.00 55.38 C +ATOM 386 OE1 GLU A 56 -36.431 -28.393 -17.583 1.00 52.87 O +ATOM 387 OE2 GLU A 56 -36.881 -30.477 -16.976 1.00 51.30 O +ATOM 388 N GLN A 57 -38.668 -30.182 -11.616 1.00 67.69 N +ATOM 389 CA GLN A 57 -39.502 -31.084 -10.839 1.00 70.26 C +ATOM 390 C GLN A 57 -39.669 -32.396 -11.602 1.00 69.27 C +ATOM 391 O GLN A 57 -39.988 -32.393 -12.779 1.00 66.05 O +ATOM 392 CB GLN A 57 -40.839 -30.400 -10.542 1.00 67.91 C +ATOM 393 CG GLN A 57 -41.716 -31.257 -9.616 1.00 64.36 C +ATOM 394 CD GLN A 57 -42.989 -30.555 -9.177 1.00 62.46 C +ATOM 395 OE1 GLN A 57 -43.298 -29.439 -9.520 1.00 61.40 O +ATOM 396 NE2 GLN A 57 -43.793 -31.203 -8.365 1.00 57.26 N +ATOM 397 N GLY A 58 -39.478 -33.491 -10.897 1.00 62.66 N +ATOM 398 CA GLY A 58 -39.715 -34.796 -11.493 1.00 63.36 C +ATOM 399 C GLY A 58 -41.159 -34.938 -11.996 1.00 63.04 C +ATOM 400 O GLY A 58 -42.073 -34.315 -11.448 1.00 61.25 O +ATOM 401 N PRO A 59 -41.391 -35.763 -13.028 1.00 60.49 N +ATOM 402 CA PRO A 59 -42.731 -35.966 -13.560 1.00 64.54 C +ATOM 403 C PRO A 59 -43.660 -36.521 -12.478 1.00 62.51 C +ATOM 404 O PRO A 59 -43.249 -37.279 -11.600 1.00 60.72 O +ATOM 405 CB PRO A 59 -42.564 -36.934 -14.739 1.00 64.52 C +ATOM 406 CG PRO A 59 -41.283 -37.691 -14.394 1.00 63.24 C +ATOM 407 CD PRO A 59 -40.440 -36.640 -13.680 1.00 66.21 C +ATOM 408 N THR A 60 -44.934 -36.122 -12.554 1.00 67.16 N +ATOM 409 CA THR A 60 -45.953 -36.690 -11.671 1.00 68.61 C +ATOM 410 C THR A 60 -46.069 -38.193 -11.922 1.00 66.48 C +ATOM 411 O THR A 60 -46.150 -38.610 -13.078 1.00 63.02 O +ATOM 412 CB THR A 60 -47.310 -36.007 -11.888 1.00 67.11 C +ATOM 413 OG1 THR A 60 -47.181 -34.618 -11.699 1.00 63.07 O +ATOM 414 CG2 THR A 60 -48.382 -36.479 -10.917 1.00 63.11 C +ATOM 415 N GLY A 61 -46.117 -38.956 -10.837 1.00 60.18 N +ATOM 416 CA GLY A 61 -46.325 -40.393 -10.943 1.00 61.37 C +ATOM 417 C GLY A 61 -47.613 -40.724 -11.707 1.00 61.28 C +ATOM 418 O GLY A 61 -48.617 -40.012 -11.623 1.00 59.47 O +ATOM 419 N LEU A 62 -47.560 -41.805 -12.478 1.00 57.97 N +ATOM 420 CA LEU A 62 -48.724 -42.277 -13.210 1.00 62.08 C +ATOM 421 C LEU A 62 -49.847 -42.645 -12.233 1.00 59.93 C +ATOM 422 O LEU A 62 -49.597 -43.153 -11.143 1.00 58.51 O +ATOM 423 CB LEU A 62 -48.341 -43.470 -14.115 1.00 61.46 C +ATOM 424 CG LEU A 62 -47.345 -43.131 -15.243 1.00 59.10 C +ATOM 425 CD1 LEU A 62 -46.961 -44.408 -15.992 1.00 57.29 C +ATOM 426 CD2 LEU A 62 -47.934 -42.138 -16.251 1.00 55.89 C +ATOM 427 N ALA A 63 -51.090 -42.379 -12.633 1.00 66.43 N +ATOM 428 CA ALA A 63 -52.229 -42.818 -11.845 1.00 69.25 C +ATOM 429 C ALA A 63 -52.220 -44.348 -11.717 1.00 67.95 C +ATOM 430 O ALA A 63 -51.939 -45.057 -12.685 1.00 64.62 O +ATOM 431 CB ALA A 63 -53.522 -42.307 -12.493 1.00 66.88 C +ATOM 432 N GLY A 64 -52.559 -44.824 -10.527 1.00 60.57 N +ATOM 433 CA GLY A 64 -52.720 -46.251 -10.295 1.00 61.76 C +ATOM 434 C GLY A 64 -53.767 -46.848 -11.242 1.00 61.80 C +ATOM 435 O GLY A 64 -54.740 -46.193 -11.616 1.00 60.08 O +ATOM 436 N LYS A 65 -53.521 -48.079 -11.628 1.00 58.54 N +ATOM 437 CA LYS A 65 -54.479 -48.800 -12.470 1.00 63.88 C +ATOM 438 C LYS A 65 -55.808 -48.936 -11.728 1.00 60.90 C +ATOM 439 O LYS A 65 -55.832 -49.072 -10.505 1.00 60.87 O +ATOM 440 CB LYS A 65 -53.925 -50.171 -12.877 1.00 62.96 C +ATOM 441 CG LYS A 65 -52.698 -50.065 -13.788 1.00 59.76 C +ATOM 442 CD LYS A 65 -52.214 -51.461 -14.195 1.00 58.38 C +ATOM 443 CE LYS A 65 -50.970 -51.392 -15.087 1.00 54.84 C +ATOM 444 NZ LYS A 65 -50.476 -52.748 -15.427 1.00 48.60 N +ATOM 445 N ALA A 66 -56.914 -48.882 -12.459 1.00 65.34 N +ATOM 446 CA ALA A 66 -58.210 -49.205 -11.873 1.00 68.23 C +ATOM 447 C ALA A 66 -58.189 -50.651 -11.345 1.00 67.60 C +ATOM 448 O ALA A 66 -57.600 -51.528 -11.967 1.00 64.10 O +ATOM 449 CB ALA A 66 -59.310 -48.996 -12.923 1.00 65.91 C +ATOM 450 N GLY A 67 -58.829 -50.846 -10.201 1.00 61.87 N +ATOM 451 CA GLY A 67 -58.996 -52.180 -9.642 1.00 63.24 C +ATOM 452 C GLY A 67 -59.745 -53.096 -10.608 1.00 63.88 C +ATOM 453 O GLY A 67 -60.579 -52.648 -11.399 1.00 62.43 O +ATOM 454 N GLU A 68 -59.431 -54.377 -10.522 1.00 53.27 N +ATOM 455 CA GLU A 68 -60.109 -55.382 -11.339 1.00 57.94 C +ATOM 456 C GLU A 68 -61.607 -55.437 -10.999 1.00 55.43 C +ATOM 457 O GLU A 68 -62.032 -55.173 -9.870 1.00 55.01 O +ATOM 458 CB GLU A 68 -59.437 -56.755 -11.184 1.00 58.23 C +ATOM 459 CG GLU A 68 -57.997 -56.746 -11.743 1.00 54.82 C +ATOM 460 CD GLU A 68 -57.317 -58.120 -11.736 1.00 52.37 C +ATOM 461 OE1 GLU A 68 -56.280 -58.235 -12.439 1.00 50.97 O +ATOM 462 OE2 GLU A 68 -57.807 -59.029 -11.047 1.00 50.67 O +ATOM 463 N ALA A 69 -62.419 -55.734 -11.994 1.00 63.59 N +ATOM 464 CA ALA A 69 -63.839 -55.932 -11.757 1.00 65.80 C +ATOM 465 C ALA A 69 -64.049 -57.106 -10.783 1.00 64.78 C +ATOM 466 O ALA A 69 -63.383 -58.126 -10.890 1.00 61.71 O +ATOM 467 CB ALA A 69 -64.554 -56.171 -13.098 1.00 64.07 C +ATOM 468 N GLY A 70 -65.010 -56.924 -9.866 1.00 59.99 N +ATOM 469 CA GLY A 70 -65.356 -57.986 -8.929 1.00 60.94 C +ATOM 470 C GLY A 70 -65.761 -59.267 -9.656 1.00 61.18 C +ATOM 471 O GLY A 70 -66.355 -59.232 -10.739 1.00 59.62 O +ATOM 472 N ALA A 71 -65.458 -60.391 -9.028 1.00 58.96 N +ATOM 473 CA ALA A 71 -65.822 -61.691 -9.570 1.00 63.10 C +ATOM 474 C ALA A 71 -67.347 -61.790 -9.777 1.00 62.49 C +ATOM 475 O ALA A 71 -68.140 -61.205 -9.035 1.00 61.17 O +ATOM 476 CB ALA A 71 -65.286 -62.790 -8.641 1.00 61.72 C +ATOM 477 N LYS A 72 -67.721 -62.500 -10.787 1.00 61.81 N +ATOM 478 CA LYS A 72 -69.143 -62.781 -11.016 1.00 66.91 C +ATOM 479 C LYS A 72 -69.712 -63.534 -9.802 1.00 64.80 C +ATOM 480 O LYS A 72 -69.105 -64.484 -9.331 1.00 62.47 O +ATOM 481 CB LYS A 72 -69.295 -63.584 -12.312 1.00 64.60 C +ATOM 482 CG LYS A 72 -70.763 -63.768 -12.710 1.00 61.26 C +ATOM 483 CD LYS A 72 -70.861 -64.495 -14.055 1.00 61.26 C +ATOM 484 CE LYS A 72 -72.323 -64.626 -14.469 1.00 58.46 C +ATOM 485 NZ LYS A 72 -72.478 -65.355 -15.735 1.00 52.46 N +ATOM 486 N GLY A 73 -70.865 -63.100 -9.317 1.00 59.57 N +ATOM 487 CA GLY A 73 -71.538 -63.778 -8.215 1.00 60.81 C +ATOM 488 C GLY A 73 -71.825 -65.244 -8.544 1.00 61.75 C +ATOM 489 O GLY A 73 -72.084 -65.598 -9.696 1.00 60.11 O +ATOM 490 N GLU A 74 -71.794 -66.072 -7.504 1.00 55.19 N +ATOM 491 CA GLU A 74 -72.098 -67.485 -7.636 1.00 59.61 C +ATOM 492 C GLU A 74 -73.539 -67.698 -8.124 1.00 58.18 C +ATOM 493 O GLU A 74 -74.450 -66.903 -7.868 1.00 56.91 O +ATOM 494 CB GLU A 74 -71.862 -68.238 -6.308 1.00 58.73 C +ATOM 495 CG GLU A 74 -70.377 -68.210 -5.893 1.00 55.64 C +ATOM 496 CD GLU A 74 -70.087 -69.061 -4.637 1.00 52.89 C +ATOM 497 OE1 GLU A 74 -68.888 -69.340 -4.402 1.00 51.78 O +ATOM 498 OE2 GLU A 74 -71.052 -69.422 -3.923 1.00 50.41 O +ATOM 499 N THR A 75 -73.715 -68.760 -8.857 1.00 64.55 N +ATOM 500 CA THR A 75 -75.061 -69.152 -9.295 1.00 65.81 C +ATOM 501 C THR A 75 -75.907 -69.489 -8.069 1.00 63.20 C +ATOM 502 O THR A 75 -75.464 -70.220 -7.190 1.00 60.29 O +ATOM 503 CB THR A 75 -75.000 -70.341 -10.253 1.00 64.87 C +ATOM 504 OG1 THR A 75 -74.180 -70.016 -11.360 1.00 61.86 O +ATOM 505 CG2 THR A 75 -76.360 -70.730 -10.817 1.00 61.84 C +ATOM 506 N GLY A 76 -77.099 -68.948 -8.002 1.00 61.39 N +ATOM 507 CA GLY A 76 -78.022 -69.258 -6.918 1.00 61.81 C +ATOM 508 C GLY A 76 -78.305 -70.761 -6.819 1.00 62.40 C +ATOM 509 O GLY A 76 -78.265 -71.470 -7.830 1.00 61.14 O +ATOM 510 N PRO A 77 -78.631 -71.258 -5.609 1.00 60.38 N +ATOM 511 CA PRO A 77 -78.951 -72.670 -5.411 1.00 63.03 C +ATOM 512 C PRO A 77 -80.174 -73.077 -6.247 1.00 60.66 C +ATOM 513 O PRO A 77 -81.037 -72.254 -6.561 1.00 59.54 O +ATOM 514 CB PRO A 77 -79.196 -72.833 -3.903 1.00 62.82 C +ATOM 515 CG PRO A 77 -79.639 -71.444 -3.466 1.00 61.41 C +ATOM 516 CD PRO A 77 -78.823 -70.514 -4.369 1.00 64.17 C +ATOM 517 N ALA A 78 -80.237 -74.357 -6.572 1.00 64.65 N +ATOM 518 CA ALA A 78 -81.434 -74.892 -7.223 1.00 66.34 C +ATOM 519 C ALA A 78 -82.668 -74.680 -6.342 1.00 64.58 C +ATOM 520 O ALA A 78 -82.614 -74.822 -5.121 1.00 61.38 O +ATOM 521 CB ALA A 78 -81.219 -76.381 -7.560 1.00 64.91 C +ATOM 522 N GLY A 79 -83.764 -74.338 -6.948 1.00 59.75 N +ATOM 523 CA GLY A 79 -85.024 -74.195 -6.237 1.00 60.89 C +ATOM 524 C GLY A 79 -85.422 -75.503 -5.546 1.00 62.14 C +ATOM 525 O GLY A 79 -85.040 -76.589 -5.985 1.00 60.90 O +ATOM 526 N PRO A 80 -86.194 -75.416 -4.467 1.00 61.19 N +ATOM 527 CA PRO A 80 -86.658 -76.598 -3.755 1.00 64.18 C +ATOM 528 C PRO A 80 -87.489 -77.494 -4.682 1.00 62.67 C +ATOM 529 O PRO A 80 -88.170 -77.020 -5.594 1.00 61.48 O +ATOM 530 CB PRO A 80 -87.475 -76.069 -2.562 1.00 63.38 C +ATOM 531 CG PRO A 80 -87.956 -74.709 -3.045 1.00 61.17 C +ATOM 532 CD PRO A 80 -86.801 -74.205 -3.909 1.00 63.39 C +ATOM 533 N GLN A 81 -87.428 -78.772 -4.415 1.00 61.50 N +ATOM 534 CA GLN A 81 -88.290 -79.721 -5.128 1.00 63.94 C +ATOM 535 C GLN A 81 -89.767 -79.360 -4.903 1.00 61.67 C +ATOM 536 O GLN A 81 -90.180 -79.038 -3.783 1.00 58.80 O +ATOM 537 CB GLN A 81 -87.956 -81.147 -4.660 1.00 62.59 C +ATOM 538 CG GLN A 81 -88.704 -82.227 -5.460 1.00 59.35 C +ATOM 539 CD GLN A 81 -88.304 -83.651 -5.083 1.00 58.19 C +ATOM 540 OE1 GLN A 81 -87.468 -83.908 -4.245 1.00 58.13 O +ATOM 541 NE2 GLN A 81 -88.913 -84.652 -5.694 1.00 53.87 N +ATOM 542 N GLY A 82 -90.552 -79.425 -5.947 1.00 61.95 N +ATOM 543 CA GLY A 82 -91.985 -79.194 -5.857 1.00 62.75 C +ATOM 544 C GLY A 82 -92.665 -80.169 -4.894 1.00 64.43 C +ATOM 545 O GLY A 82 -92.206 -81.294 -4.706 1.00 63.08 O +ATOM 546 N PRO A 83 -93.779 -79.754 -4.273 1.00 62.69 N +ATOM 547 CA PRO A 83 -94.504 -80.614 -3.355 1.00 65.59 C +ATOM 548 C PRO A 83 -94.969 -81.893 -4.071 1.00 64.75 C +ATOM 549 O PRO A 83 -95.241 -81.892 -5.274 1.00 63.14 O +ATOM 550 CB PRO A 83 -95.681 -79.767 -2.838 1.00 64.31 C +ATOM 551 CG PRO A 83 -95.916 -78.769 -3.957 1.00 61.35 C +ATOM 552 CD PRO A 83 -94.505 -78.501 -4.495 1.00 63.30 C +ATOM 553 N ARG A 84 -95.024 -82.938 -3.314 1.00 63.95 N +ATOM 554 CA ARG A 84 -95.566 -84.190 -3.843 1.00 66.88 C +ATOM 555 C ARG A 84 -96.999 -83.974 -4.317 1.00 64.49 C +ATOM 556 O ARG A 84 -97.794 -83.366 -3.613 1.00 61.37 O +ATOM 557 CB ARG A 84 -95.481 -85.274 -2.764 1.00 64.41 C +ATOM 558 CG ARG A 84 -95.813 -86.649 -3.334 1.00 59.77 C +ATOM 559 CD ARG A 84 -95.619 -87.721 -2.270 1.00 60.32 C +ATOM 560 NE ARG A 84 -95.583 -89.044 -2.874 1.00 59.01 N +ATOM 561 CZ ARG A 84 -95.314 -90.179 -2.277 1.00 53.00 C +ATOM 562 NH1 ARG A 84 -95.142 -90.266 -0.981 1.00 53.65 N +ATOM 563 NH2 ARG A 84 -95.197 -91.261 -2.979 1.00 53.21 N +ATOM 564 N GLY A 85 -97.330 -84.537 -5.474 1.00 63.25 N +ATOM 565 CA GLY A 85 -98.678 -84.482 -6.011 1.00 63.67 C +ATOM 566 C GLY A 85 -99.705 -85.088 -5.045 1.00 65.54 C +ATOM 567 O GLY A 85 -99.416 -86.043 -4.325 1.00 63.68 O +ATOM 568 N GLU A 86 -100.887 -84.508 -5.049 1.00 55.68 N +ATOM 569 CA GLU A 86 -101.980 -84.987 -4.225 1.00 60.38 C +ATOM 570 C GLU A 86 -102.336 -86.441 -4.565 1.00 59.43 C +ATOM 571 O GLU A 86 -102.228 -86.896 -5.705 1.00 58.28 O +ATOM 572 CB GLU A 86 -103.224 -84.090 -4.364 1.00 58.99 C +ATOM 573 CG GLU A 86 -102.976 -82.657 -3.843 1.00 54.39 C +ATOM 574 CD GLU A 86 -104.229 -81.766 -3.873 1.00 51.70 C +ATOM 575 OE1 GLU A 86 -104.186 -80.678 -3.236 1.00 49.30 O +ATOM 576 OE2 GLU A 86 -105.230 -82.166 -4.517 1.00 47.75 O +ATOM 577 N GLN A 87 -102.712 -87.144 -3.548 1.00 61.96 N +ATOM 578 CA GLN A 87 -103.165 -88.515 -3.762 1.00 63.47 C +ATOM 579 C GLN A 87 -104.399 -88.512 -4.663 1.00 60.56 C +ATOM 580 O GLN A 87 -105.333 -87.743 -4.456 1.00 57.78 O +ATOM 581 CB GLN A 87 -103.424 -89.175 -2.397 1.00 62.65 C +ATOM 582 CG GLN A 87 -103.773 -90.665 -2.544 1.00 59.28 C +ATOM 583 CD GLN A 87 -103.913 -91.385 -1.214 1.00 58.52 C +ATOM 584 OE1 GLN A 87 -103.809 -90.849 -0.132 1.00 59.11 O +ATOM 585 NE2 GLN A 87 -104.155 -92.682 -1.239 1.00 55.03 N +ATOM 586 N GLY A 88 -104.372 -89.367 -5.639 1.00 61.17 N +ATOM 587 CA GLY A 88 -105.516 -89.529 -6.520 1.00 61.35 C +ATOM 588 C GLY A 88 -106.808 -89.843 -5.745 1.00 62.44 C +ATOM 589 O GLY A 88 -106.761 -90.488 -4.695 1.00 60.90 O +ATOM 590 N PRO A 89 -107.925 -89.375 -6.246 1.00 58.09 N +ATOM 591 CA PRO A 89 -109.201 -89.587 -5.583 1.00 60.29 C +ATOM 592 C PRO A 89 -109.492 -91.090 -5.431 1.00 58.76 C +ATOM 593 O PRO A 89 -109.095 -91.914 -6.262 1.00 57.35 O +ATOM 594 CB PRO A 89 -110.245 -88.872 -6.449 1.00 59.94 C +ATOM 595 CG PRO A 89 -109.609 -88.856 -7.831 1.00 56.98 C +ATOM 596 CD PRO A 89 -108.120 -88.701 -7.536 1.00 58.22 C +ATOM 597 N GLN A 90 -110.151 -91.373 -4.376 1.00 59.82 N +ATOM 598 CA GLN A 90 -110.597 -92.744 -4.187 1.00 61.63 C +ATOM 599 C GLN A 90 -111.543 -93.156 -5.322 1.00 59.38 C +ATOM 600 O GLN A 90 -112.418 -92.391 -5.726 1.00 56.97 O +ATOM 601 CB GLN A 90 -111.268 -92.857 -2.807 1.00 60.66 C +ATOM 602 CG GLN A 90 -111.629 -94.305 -2.445 1.00 56.57 C +ATOM 603 CD GLN A 90 -112.167 -94.460 -1.025 1.00 55.88 C +ATOM 604 OE1 GLN A 90 -112.258 -93.549 -0.233 1.00 55.24 O +ATOM 605 NE2 GLN A 90 -112.535 -95.661 -0.631 1.00 51.20 N +ATOM 606 N GLY A 91 -111.319 -94.343 -5.818 1.00 55.83 N +ATOM 607 CA GLY A 91 -112.193 -94.907 -6.842 1.00 56.34 C +ATOM 608 C GLY A 91 -113.664 -94.885 -6.415 1.00 56.32 C +ATOM 609 O GLY A 91 -113.995 -95.075 -5.244 1.00 54.97 O +ATOM 610 N LEU A 92 -114.532 -94.616 -7.386 1.00 52.71 N +ATOM 611 CA LEU A 92 -115.976 -94.585 -7.132 1.00 55.06 C +ATOM 612 C LEU A 92 -116.463 -95.961 -6.634 1.00 54.50 C +ATOM 613 O LEU A 92 -115.945 -96.996 -7.056 1.00 53.67 O +ATOM 614 CB LEU A 92 -116.723 -94.168 -8.411 1.00 54.39 C +ATOM 615 CG LEU A 92 -116.432 -92.733 -8.887 1.00 51.45 C +ATOM 616 CD1 LEU A 92 -117.115 -92.482 -10.225 1.00 49.76 C +ATOM 617 CD2 LEU A 92 -116.931 -91.681 -7.893 1.00 48.88 C +ATOM 618 N PRO A 93 -117.408 -95.908 -5.758 1.00 56.92 N +ATOM 619 CA PRO A 93 -118.036 -97.161 -5.345 1.00 58.01 C +ATOM 620 C PRO A 93 -118.550 -97.946 -6.562 1.00 56.36 C +ATOM 621 O PRO A 93 -119.115 -97.351 -7.487 1.00 55.50 O +ATOM 622 CB PRO A 93 -119.183 -96.780 -4.408 1.00 58.22 C +ATOM 623 CG PRO A 93 -118.823 -95.395 -3.911 1.00 55.23 C +ATOM 624 CD PRO A 93 -118.059 -94.778 -5.058 1.00 57.15 C +ATOM 625 N GLY A 94 -118.342 -99.216 -6.506 1.00 51.30 N +ATOM 626 CA GLY A 94 -118.897-100.094 -7.526 1.00 52.87 C +ATOM 627 C GLY A 94 -120.409 -99.886 -7.683 1.00 52.70 C +ATOM 628 O GLY A 94 -121.122 -99.638 -6.710 1.00 51.86 O +ATOM 629 N ALA A 95 -120.888-100.003 -8.915 1.00 50.41 N +ATOM 630 CA ALA A 95 -122.304 -99.875 -9.213 1.00 52.11 C +ATOM 631 C ALA A 95 -123.121-100.903 -8.399 1.00 51.67 C +ATOM 632 O ALA A 95 -122.695-102.039 -8.185 1.00 50.60 O +ATOM 633 CB ALA A 95 -122.519-100.029 -10.724 1.00 51.28 C +ATOM 634 N ARG A 96 -124.187-100.394 -7.930 1.00 51.58 N +ATOM 635 CA ARG A 96 -125.093-101.279 -7.208 1.00 53.45 C +ATOM 636 C ARG A 96 -125.548-102.391 -8.134 1.00 52.82 C +ATOM 637 O ARG A 96 -126.189-102.117 -9.134 1.00 51.89 O +ATOM 638 CB ARG A 96 -126.260-100.468 -6.652 1.00 52.42 C +ATOM 639 CG ARG A 96 -127.087-101.251 -5.634 1.00 46.04 C +ATOM 640 CD ARG A 96 -128.201-100.376 -5.080 1.00 45.46 C +ATOM 641 NE ARG A 96 -128.645-100.809 -3.751 1.00 44.19 N +ATOM 642 CZ ARG A 96 -129.537-100.223 -2.991 1.00 40.37 C +ATOM 643 NH1 ARG A 96 -130.218 -99.188 -3.394 1.00 41.47 N +ATOM 644 NH2 ARG A 96 -129.772-100.657 -1.794 1.00 40.53 N +ATOM 645 N GLY A 97 -125.216-103.609 -7.757 1.00 50.06 N +ATOM 646 CA GLY A 97 -125.665-104.777 -8.482 1.00 51.87 C +ATOM 647 C GLY A 97 -127.189-104.905 -8.463 1.00 52.84 C +ATOM 648 O GLY A 97 -127.837-104.587 -7.468 1.00 51.24 O +ATOM 649 N GLU A 98 -127.711-105.365 -9.565 1.00 47.02 N +ATOM 650 CA GLU A 98 -129.099-105.800 -9.583 1.00 50.22 C +ATOM 651 C GLU A 98 -129.286-106.990 -8.632 1.00 49.53 C +ATOM 652 O GLU A 98 -128.380-107.799 -8.423 1.00 48.45 O +ATOM 653 CB GLU A 98 -129.559-106.115 -11.014 1.00 49.89 C +ATOM 654 CG GLU A 98 -129.649-104.845 -11.883 1.00 44.90 C +ATOM 655 CD GLU A 98 -130.370-105.066 -13.225 1.00 42.26 C +ATOM 656 OE1 GLU A 98 -130.890-104.067 -13.766 1.00 39.67 O +ATOM 657 OE2 GLU A 98 -130.412-106.224 -13.675 1.00 39.66 O +ATOM 658 N ARG A 99 -130.325-106.973 -7.986 1.00 49.50 N +ATOM 659 CA ARG A 99 -130.610-107.850 -6.850 1.00 51.53 C +ATOM 660 C ARG A 99 -130.119-109.284 -7.056 1.00 50.85 C +ATOM 661 O ARG A 99 -130.708-109.985 -7.857 1.00 49.03 O +ATOM 662 CB ARG A 99 -132.125-107.886 -6.604 1.00 50.47 C +ATOM 663 CG ARG A 99 -132.721-106.546 -6.156 1.00 44.41 C +ATOM 664 CD ARG A 99 -134.248-106.727 -6.006 1.00 41.98 C +ATOM 665 NE ARG A 99 -134.881-105.467 -5.578 1.00 39.54 N +ATOM 666 CZ ARG A 99 -136.174-105.240 -5.482 1.00 34.64 C +ATOM 667 NH1 ARG A 99 -137.052-106.160 -5.771 1.00 36.43 N +ATOM 668 NH2 ARG A 99 -136.622-104.084 -5.089 1.00 35.06 N +ATOM 669 N VAL A 100 -129.038-109.640 -6.348 1.00 50.40 N +ATOM 670 CA VAL A 100 -128.722-110.895 -5.657 1.00 52.41 C +ATOM 671 C VAL A 100 -127.362-110.804 -4.913 1.00 52.76 C +ATOM 672 O VAL A 100 -127.226-111.389 -3.850 1.00 49.94 O +ATOM 673 CB VAL A 100 -128.795-112.159 -6.561 1.00 50.18 C +ATOM 674 CG1 VAL A 100 -128.294-113.446 -5.914 1.00 44.32 C +ATOM 675 CG2 VAL A 100 -130.256-112.486 -6.952 1.00 43.95 C +ATOM 676 N PHE A 101 -126.376-109.972 -5.365 1.00 47.95 N +ATOM 677 CA PHE A 101 -125.075-109.811 -4.687 1.00 50.74 C +ATOM 678 C PHE A 101 -124.672-108.336 -4.581 1.00 49.83 C +ATOM 679 O PHE A 101 -124.889-107.564 -5.509 1.00 49.12 O +ATOM 680 CB PHE A 101 -124.002-110.631 -5.417 1.00 50.40 C +ATOM 681 CG PHE A 101 -124.263-112.117 -5.415 1.00 47.95 C +ATOM 682 CD1 PHE A 101 -123.988-112.899 -4.276 1.00 45.33 C +ATOM 683 CD2 PHE A 101 -124.841-112.737 -6.543 1.00 44.32 C +ATOM 684 CE1 PHE A 101 -124.284-114.265 -4.252 1.00 40.79 C +ATOM 685 CE2 PHE A 101 -125.145-114.116 -6.511 1.00 42.28 C +ATOM 686 CZ PHE A 101 -124.870-114.879 -5.376 1.00 42.13 C +ATOM 687 N PRO A 102 -124.029-107.891 -3.443 1.00 52.34 N +ATOM 688 CA PRO A 102 -123.483-106.532 -3.348 1.00 53.55 C +ATOM 689 C PRO A 102 -122.298-106.356 -4.310 1.00 52.77 C +ATOM 690 O PRO A 102 -121.452-107.234 -4.416 1.00 52.10 O +ATOM 691 CB PRO A 102 -123.078-106.364 -1.881 1.00 53.57 C +ATOM 692 CG PRO A 102 -122.856-107.782 -1.390 1.00 50.99 C +ATOM 693 CD PRO A 102 -123.778-108.622 -2.222 1.00 53.14 C +ATOM 694 N GLY A 103 -122.233-105.207 -4.972 1.00 50.78 N +ATOM 695 CA GLY A 103 -121.124-104.870 -5.858 1.00 52.95 C +ATOM 696 C GLY A 103 -119.812-104.716 -5.099 1.00 54.14 C +ATOM 697 O GLY A 103 -119.801-104.299 -3.930 1.00 53.05 O +ATOM 698 N GLU A 104 -118.700-105.084 -5.744 1.00 50.71 N +ATOM 699 CA GLU A 104 -117.358-104.911 -5.177 1.00 54.33 C +ATOM 700 C GLU A 104 -117.044-103.449 -4.901 1.00 54.12 C +ATOM 701 O GLU A 104 -117.478-102.532 -5.615 1.00 53.82 O +ATOM 702 CB GLU A 104 -116.289-105.545 -6.095 1.00 53.89 C +ATOM 703 CG GLU A 104 -116.436-107.062 -6.202 1.00 49.24 C +ATOM 704 CD GLU A 104 -115.294-107.734 -6.979 1.00 46.91 C +ATOM 705 OE1 GLU A 104 -115.104-108.961 -6.772 1.00 45.72 O +ATOM 706 OE2 GLU A 104 -114.621-107.024 -7.763 1.00 44.06 O +ATOM 707 N ARG A 105 -116.260-103.205 -3.840 1.00 56.56 N +ATOM 708 CA ARG A 105 -115.788-101.854 -3.534 1.00 58.29 C +ATOM 709 C ARG A 105 -114.854-101.398 -4.633 1.00 56.38 C +ATOM 710 O ARG A 105 -113.939-102.123 -5.011 1.00 54.81 O +ATOM 711 CB ARG A 105 -115.129-101.835 -2.141 1.00 57.69 C +ATOM 712 CG ARG A 105 -114.663-100.425 -1.740 1.00 52.90 C +ATOM 713 CD ARG A 105 -113.974-100.389 -0.373 1.00 53.44 C +ATOM 714 NE ARG A 105 -114.920-100.624 0.737 1.00 52.75 N +ATOM 715 CZ ARG A 105 -114.665-100.474 2.028 1.00 47.48 C +ATOM 716 NH1 ARG A 105 -113.502-100.105 2.470 1.00 48.37 N +ATOM 717 NH2 ARG A 105 -115.598-100.716 2.921 1.00 47.98 N +ATOM 718 N GLY A 106 -115.017-100.192 -5.078 1.00 52.21 N +ATOM 719 CA GLY A 106 -114.129 -99.597 -6.049 1.00 53.50 C +ATOM 720 C GLY A 106 -112.678 -99.568 -5.550 1.00 53.48 C +ATOM 721 O GLY A 106 -112.427 -99.309 -4.363 1.00 52.37 O +ATOM 722 N VAL A 107 -111.726 -99.845 -6.437 1.00 55.65 N +ATOM 723 CA VAL A 107 -110.298 -99.768 -6.129 1.00 58.58 C +ATOM 724 C VAL A 107 -109.875 -98.320 -5.879 1.00 57.48 C +ATOM 725 O VAL A 107 -110.384 -97.380 -6.497 1.00 56.12 O +ATOM 726 CB VAL A 107 -109.432-100.437 -7.216 1.00 57.73 C +ATOM 727 CG1 VAL A 107 -109.641-101.946 -7.218 1.00 53.68 C +ATOM 728 CG2 VAL A 107 -109.708 -99.909 -8.626 1.00 54.15 C +ATOM 729 N GLN A 108 -108.958 -98.104 -4.933 1.00 59.40 N +ATOM 730 CA GLN A 108 -108.405 -96.778 -4.668 1.00 61.91 C +ATOM 731 C GLN A 108 -107.596 -96.303 -5.874 1.00 59.88 C +ATOM 732 O GLN A 108 -106.837 -97.072 -6.461 1.00 57.25 O +ATOM 733 CB GLN A 108 -107.573 -96.844 -3.376 1.00 60.66 C +ATOM 734 CG GLN A 108 -107.052 -95.467 -2.941 1.00 56.43 C +ATOM 735 CD GLN A 108 -106.400 -95.492 -1.562 1.00 55.43 C +ATOM 736 OE1 GLN A 108 -106.225 -96.504 -0.909 1.00 55.16 O +ATOM 737 NE2 GLN A 108 -106.027 -94.338 -1.033 1.00 51.19 N +ATOM 738 N GLY A 109 -107.737 -95.055 -6.239 1.00 57.97 N +ATOM 739 CA GLY A 109 -106.944 -94.447 -7.291 1.00 58.65 C +ATOM 740 C GLY A 109 -105.448 -94.459 -6.947 1.00 58.80 C +ATOM 741 O GLY A 109 -105.097 -94.409 -5.764 1.00 57.27 O +ATOM 742 N PRO A 110 -104.562 -94.532 -7.936 1.00 60.17 N +ATOM 743 CA PRO A 110 -103.123 -94.496 -7.704 1.00 62.17 C +ATOM 744 C PRO A 110 -102.706 -93.173 -7.051 1.00 59.91 C +ATOM 745 O PRO A 110 -103.374 -92.155 -7.243 1.00 58.43 O +ATOM 746 CB PRO A 110 -102.483 -94.691 -9.086 1.00 61.48 C +ATOM 747 CG PRO A 110 -103.533 -94.153 -10.042 1.00 59.04 C +ATOM 748 CD PRO A 110 -104.843 -94.525 -9.360 1.00 59.90 C +ATOM 749 N PRO A 111 -101.581 -93.164 -6.279 1.00 61.69 N +ATOM 750 CA PRO A 111 -101.020 -91.916 -5.767 1.00 63.35 C +ATOM 751 C PRO A 111 -100.742 -90.930 -6.905 1.00 60.38 C +ATOM 752 O PRO A 111 -100.348 -91.328 -8.001 1.00 58.83 O +ATOM 753 CB PRO A 111 -99.730 -92.299 -5.042 1.00 63.75 C +ATOM 754 CG PRO A 111 -99.923 -93.766 -4.690 1.00 60.07 C +ATOM 755 CD PRO A 111 -100.775 -94.287 -5.830 1.00 63.58 C +ATOM 756 N GLY A 112 -100.893 -89.664 -6.641 1.00 58.81 N +ATOM 757 CA GLY A 112 -100.460 -88.605 -7.544 1.00 59.93 C +ATOM 758 C GLY A 112 -98.953 -88.665 -7.795 1.00 60.58 C +ATOM 759 O GLY A 112 -98.186 -89.087 -6.924 1.00 58.69 O +ATOM 760 N LYS A 113 -98.479 -88.227 -8.974 1.00 59.39 N +ATOM 761 CA LYS A 113 -97.049 -88.154 -9.307 1.00 63.60 C +ATOM 762 C LYS A 113 -96.364 -87.095 -8.456 1.00 62.67 C +ATOM 763 O LYS A 113 -96.970 -86.082 -8.114 1.00 61.32 O +ATOM 764 CB LYS A 113 -96.856 -87.852 -10.807 1.00 61.31 C +ATOM 765 CG LYS A 113 -97.394 -88.959 -11.714 1.00 56.64 C +ATOM 766 CD LYS A 113 -97.125 -88.610 -13.188 1.00 55.22 C +ATOM 767 CE LYS A 113 -97.694 -89.668 -14.118 1.00 51.46 C +ATOM 768 NZ LYS A 113 -97.493 -89.316 -15.538 1.00 46.39 N +ATOM 769 N ASP A 114 -95.133 -87.365 -8.134 1.00 64.84 N +ATOM 770 CA ASP A 114 -94.329 -86.356 -7.463 1.00 66.78 C +ATOM 771 C ASP A 114 -94.245 -85.081 -8.317 1.00 65.22 C +ATOM 772 O ASP A 114 -94.198 -85.140 -9.551 1.00 61.69 O +ATOM 773 CB ASP A 114 -92.927 -86.908 -7.148 1.00 64.03 C +ATOM 774 CG ASP A 114 -92.920 -88.010 -6.081 1.00 60.72 C +ATOM 775 OD1 ASP A 114 -93.903 -88.126 -5.313 1.00 58.66 O +ATOM 776 OD2 ASP A 114 -91.925 -88.746 -6.011 1.00 57.57 O +ATOM 777 N GLY A 115 -94.251 -83.940 -7.666 1.00 61.78 N +ATOM 778 CA GLY A 115 -94.072 -82.654 -8.321 1.00 62.19 C +ATOM 779 C GLY A 115 -92.700 -82.550 -8.985 1.00 62.63 C +ATOM 780 O GLY A 115 -91.710 -83.121 -8.506 1.00 60.46 O +ATOM 781 N GLU A 116 -92.621 -81.807 -10.061 1.00 55.05 N +ATOM 782 CA GLU A 116 -91.358 -81.547 -10.740 1.00 58.74 C +ATOM 783 C GLU A 116 -90.392 -80.759 -9.844 1.00 56.70 C +ATOM 784 O GLU A 116 -90.797 -79.955 -9.001 1.00 55.79 O +ATOM 785 CB GLU A 116 -91.594 -80.824 -12.081 1.00 58.13 C +ATOM 786 CG GLU A 116 -92.374 -81.688 -13.084 1.00 54.10 C +ATOM 787 CD GLU A 116 -92.542 -81.057 -14.480 1.00 51.75 C +ATOM 788 OE1 GLU A 116 -92.909 -81.821 -15.401 1.00 50.04 O +ATOM 789 OE2 GLU A 116 -92.315 -79.831 -14.612 1.00 48.84 O +ATOM 790 N ALA A 117 -89.089 -81.014 -9.997 1.00 63.75 N +ATOM 791 CA ALA A 117 -88.072 -80.242 -9.288 1.00 64.72 C +ATOM 792 C ALA A 117 -88.168 -78.758 -9.662 1.00 62.59 C +ATOM 793 O ALA A 117 -88.384 -78.406 -10.820 1.00 59.73 O +ATOM 794 CB ALA A 117 -86.683 -80.826 -9.602 1.00 63.31 C +ATOM 795 N GLY A 118 -88.016 -77.922 -8.674 1.00 57.39 N +ATOM 796 CA GLY A 118 -87.996 -76.483 -8.888 1.00 58.53 C +ATOM 797 C GLY A 118 -86.895 -76.078 -9.878 1.00 58.99 C +ATOM 798 O GLY A 118 -85.821 -76.676 -9.919 1.00 57.47 O +ATOM 799 N ALA A 119 -87.161 -75.036 -10.648 1.00 57.54 N +ATOM 800 CA ALA A 119 -86.183 -74.487 -11.576 1.00 61.56 C +ATOM 801 C ALA A 119 -84.922 -73.998 -10.835 1.00 60.32 C +ATOM 802 O ALA A 119 -84.984 -73.559 -9.676 1.00 58.79 O +ATOM 803 CB ALA A 119 -86.833 -73.358 -12.398 1.00 60.47 C +ATOM 804 N GLN A 120 -83.763 -74.056 -11.483 1.00 57.13 N +ATOM 805 CA GLN A 120 -82.517 -73.507 -10.943 1.00 61.04 C +ATOM 806 C GLN A 120 -82.668 -72.004 -10.693 1.00 58.99 C +ATOM 807 O GLN A 120 -83.200 -71.271 -11.526 1.00 56.37 O +ATOM 808 CB GLN A 120 -81.365 -73.824 -11.915 1.00 60.60 C +ATOM 809 CG GLN A 120 -79.994 -73.392 -11.359 1.00 58.51 C +ATOM 810 CD GLN A 120 -78.829 -73.848 -12.251 1.00 57.33 C +ATOM 811 OE1 GLN A 120 -78.980 -74.365 -13.336 1.00 57.98 O +ATOM 812 NE2 GLN A 120 -77.603 -73.674 -11.798 1.00 53.85 N +ATOM 813 N GLY A 121 -82.203 -71.542 -9.556 1.00 57.07 N +ATOM 814 CA GLY A 121 -82.196 -70.120 -9.216 1.00 58.85 C +ATOM 815 C GLY A 121 -81.387 -69.294 -10.225 1.00 59.12 C +ATOM 816 O GLY A 121 -80.451 -69.810 -10.845 1.00 57.94 O +ATOM 817 N PRO A 122 -81.720 -68.026 -10.386 1.00 57.49 N +ATOM 818 CA PRO A 122 -80.974 -67.142 -11.274 1.00 60.11 C +ATOM 819 C PRO A 122 -79.516 -67.004 -10.818 1.00 58.05 C +ATOM 820 O PRO A 122 -79.201 -67.158 -9.636 1.00 57.08 O +ATOM 821 CB PRO A 122 -81.725 -65.798 -11.253 1.00 60.02 C +ATOM 822 CG PRO A 122 -82.385 -65.801 -9.876 1.00 58.35 C +ATOM 823 CD PRO A 122 -82.733 -67.271 -9.660 1.00 60.39 C +ATOM 824 N ALA A 123 -78.615 -66.673 -11.749 1.00 61.06 N +ATOM 825 CA ALA A 123 -77.236 -66.342 -11.404 1.00 63.03 C +ATOM 826 C ALA A 123 -77.188 -65.116 -10.473 1.00 61.07 C +ATOM 827 O ALA A 123 -77.934 -64.159 -10.675 1.00 58.14 O +ATOM 828 CB ALA A 123 -76.424 -66.102 -12.687 1.00 61.99 C +ATOM 829 N GLY A 124 -76.309 -65.160 -9.492 1.00 57.06 N +ATOM 830 CA GLY A 124 -76.073 -64.026 -8.609 1.00 58.69 C +ATOM 831 C GLY A 124 -75.621 -62.780 -9.388 1.00 58.71 C +ATOM 832 O GLY A 124 -75.041 -62.898 -10.468 1.00 57.48 O +ATOM 833 N PRO A 125 -75.891 -61.604 -8.835 1.00 56.73 N +ATOM 834 CA PRO A 125 -75.442 -60.365 -9.463 1.00 59.94 C +ATOM 835 C PRO A 125 -73.913 -60.347 -9.596 1.00 57.98 C +ATOM 836 O PRO A 125 -73.187 -60.974 -8.823 1.00 57.29 O +ATOM 837 CB PRO A 125 -75.970 -59.229 -8.572 1.00 59.84 C +ATOM 838 CG PRO A 125 -76.067 -59.884 -7.204 1.00 57.85 C +ATOM 839 CD PRO A 125 -76.467 -61.317 -7.529 1.00 60.06 C +ATOM 840 N MET A 126 -73.405 -59.599 -10.590 1.00 61.49 N +ATOM 841 CA MET A 126 -71.974 -59.347 -10.707 1.00 63.82 C +ATOM 842 C MET A 126 -71.481 -58.584 -9.479 1.00 63.09 C +ATOM 843 O MET A 126 -72.157 -57.656 -9.020 1.00 59.51 O +ATOM 844 CB MET A 126 -71.699 -58.590 -12.020 1.00 61.98 C +ATOM 845 CG MET A 126 -70.214 -58.319 -12.257 1.00 57.87 C +ATOM 846 SD MET A 126 -69.858 -57.530 -13.864 1.00 55.83 S +ATOM 847 CE MET A 126 -70.002 -58.955 -14.965 1.00 53.12 C +ATOM 848 N GLY A 127 -70.343 -58.966 -8.933 1.00 58.08 N +ATOM 849 CA GLY A 127 -69.697 -58.243 -7.849 1.00 59.69 C +ATOM 850 C GLY A 127 -69.389 -56.786 -8.235 1.00 59.93 C +ATOM 851 O GLY A 127 -69.235 -56.481 -9.414 1.00 58.73 O +ATOM 852 N PRO A 128 -69.302 -55.891 -7.242 1.00 58.75 N +ATOM 853 CA PRO A 128 -68.946 -54.503 -7.510 1.00 62.52 C +ATOM 854 C PRO A 128 -67.580 -54.423 -8.193 1.00 61.08 C +ATOM 855 O PRO A 128 -66.717 -55.283 -8.001 1.00 60.04 O +ATOM 856 CB PRO A 128 -68.963 -53.794 -6.146 1.00 61.75 C +ATOM 857 CG PRO A 128 -68.673 -54.926 -5.161 1.00 59.89 C +ATOM 858 CD PRO A 128 -69.356 -56.126 -5.803 1.00 62.49 C +ATOM 859 N ALA A 129 -67.382 -53.383 -8.998 1.00 65.69 N +ATOM 860 CA ALA A 129 -66.062 -53.109 -9.553 1.00 67.80 C +ATOM 861 C ALA A 129 -65.059 -52.854 -8.423 1.00 67.75 C +ATOM 862 O ALA A 129 -65.397 -52.217 -7.434 1.00 64.94 O +ATOM 863 CB ALA A 129 -66.148 -51.918 -10.525 1.00 65.20 C +ATOM 864 N GLY A 130 -63.854 -53.341 -8.600 1.00 60.77 N +ATOM 865 CA GLY A 130 -62.783 -53.059 -7.659 1.00 62.81 C +ATOM 866 C GLY A 130 -62.506 -51.564 -7.539 1.00 64.26 C +ATOM 867 O GLY A 130 -62.733 -50.789 -8.473 1.00 62.92 O +ATOM 868 N GLU A 131 -62.036 -51.178 -6.366 1.00 58.80 N +ATOM 869 CA GLU A 131 -61.670 -49.781 -6.117 1.00 63.72 C +ATOM 870 C GLU A 131 -60.579 -49.317 -7.084 1.00 62.40 C +ATOM 871 O GLU A 131 -59.737 -50.087 -7.555 1.00 61.61 O +ATOM 872 CB GLU A 131 -61.235 -49.575 -4.661 1.00 62.01 C +ATOM 873 CG GLU A 131 -62.404 -49.830 -3.679 1.00 58.01 C +ATOM 874 CD GLU A 131 -62.076 -49.467 -2.220 1.00 55.14 C +ATOM 875 OE1 GLU A 131 -63.056 -49.354 -1.445 1.00 52.98 O +ATOM 876 OE2 GLU A 131 -60.880 -49.321 -1.904 1.00 51.52 O +ATOM 877 N ARG A 132 -60.623 -48.012 -7.435 1.00 67.29 N +ATOM 878 CA ARG A 132 -59.585 -47.421 -8.277 1.00 70.36 C +ATOM 879 C ARG A 132 -58.263 -47.432 -7.526 1.00 69.46 C +ATOM 880 O ARG A 132 -58.222 -47.007 -6.377 1.00 66.32 O +ATOM 881 CB ARG A 132 -59.996 -46.003 -8.680 1.00 67.03 C +ATOM 882 CG ARG A 132 -59.005 -45.369 -9.645 1.00 61.88 C +ATOM 883 CD ARG A 132 -59.448 -43.974 -10.062 1.00 61.50 C +ATOM 884 NE ARG A 132 -59.417 -43.786 -11.508 1.00 58.89 N +ATOM 885 CZ ARG A 132 -59.744 -42.704 -12.162 1.00 53.06 C +ATOM 886 NH1 ARG A 132 -60.107 -41.610 -11.559 1.00 53.22 N +ATOM 887 NH2 ARG A 132 -59.721 -42.694 -13.476 1.00 51.37 N +ATOM 888 N GLY A 133 -57.204 -47.846 -8.170 1.00 65.75 N +ATOM 889 CA GLY A 133 -55.870 -47.784 -7.593 1.00 66.67 C +ATOM 890 C GLY A 133 -55.497 -46.355 -7.177 1.00 67.71 C +ATOM 891 O GLY A 133 -55.915 -45.384 -7.814 1.00 66.17 O +ATOM 892 N GLU A 134 -54.732 -46.268 -6.110 1.00 59.01 N +ATOM 893 CA GLU A 134 -54.248 -44.985 -5.606 1.00 63.51 C +ATOM 894 C GLU A 134 -53.433 -44.237 -6.670 1.00 62.18 C +ATOM 895 O GLU A 134 -52.786 -44.831 -7.542 1.00 61.17 O +ATOM 896 CB GLU A 134 -53.425 -45.166 -4.315 1.00 61.97 C +ATOM 897 CG GLU A 134 -54.279 -45.705 -3.170 1.00 58.01 C +ATOM 898 CD GLU A 134 -53.530 -45.751 -1.810 1.00 55.23 C +ATOM 899 OE1 GLU A 134 -54.230 -45.858 -0.786 1.00 53.24 O +ATOM 900 OE2 GLU A 134 -52.282 -45.670 -1.834 1.00 51.96 O +ATOM 901 N LYS A 135 -53.534 -42.901 -6.622 1.00 71.64 N +ATOM 902 CA LYS A 135 -52.741 -42.055 -7.523 1.00 74.27 C +ATOM 903 C LYS A 135 -51.267 -42.220 -7.174 1.00 73.79 C +ATOM 904 O LYS A 135 -50.911 -42.136 -6.013 1.00 71.64 O +ATOM 905 CB LYS A 135 -53.218 -40.606 -7.400 1.00 70.21 C +ATOM 906 CG LYS A 135 -52.556 -39.702 -8.447 1.00 65.81 C +ATOM 907 CD LYS A 135 -53.098 -38.275 -8.347 1.00 64.68 C +ATOM 908 CE LYS A 135 -52.457 -37.405 -9.419 1.00 60.94 C +ATOM 909 NZ LYS A 135 -52.887 -35.989 -9.309 1.00 54.94 N +ATOM 910 N GLY A 136 -50.433 -42.391 -8.175 1.00 67.06 N +ATOM 911 CA GLY A 136 -48.996 -42.446 -7.964 1.00 67.51 C +ATOM 912 C GLY A 136 -48.474 -41.177 -7.293 1.00 68.49 C +ATOM 913 O GLY A 136 -48.967 -40.072 -7.551 1.00 66.58 O +ATOM 914 N GLU A 137 -47.492 -41.355 -6.427 1.00 58.81 N +ATOM 915 CA GLU A 137 -46.855 -40.233 -5.744 1.00 63.58 C +ATOM 916 C GLU A 137 -46.225 -39.257 -6.757 1.00 61.29 C +ATOM 917 O GLU A 137 -45.725 -39.675 -7.809 1.00 60.33 O +ATOM 918 CB GLU A 137 -45.804 -40.717 -4.741 1.00 62.34 C +ATOM 919 CG GLU A 137 -46.421 -41.520 -3.581 1.00 59.24 C +ATOM 920 CD GLU A 137 -45.400 -41.867 -2.481 1.00 56.43 C +ATOM 921 OE1 GLU A 137 -45.847 -42.145 -1.351 1.00 54.27 O +ATOM 922 OE2 GLU A 137 -44.184 -41.840 -2.772 1.00 53.43 O +ATOM 923 N PRO A 138 -46.242 -37.949 -6.461 1.00 67.87 N +ATOM 924 CA PRO A 138 -45.514 -36.980 -7.267 1.00 69.96 C +ATOM 925 C PRO A 138 -44.029 -37.337 -7.339 1.00 67.96 C +ATOM 926 O PRO A 138 -43.429 -37.745 -6.348 1.00 65.54 O +ATOM 927 CB PRO A 138 -45.724 -35.615 -6.600 1.00 69.68 C +ATOM 928 CG PRO A 138 -47.006 -35.806 -5.799 1.00 66.65 C +ATOM 929 CD PRO A 138 -46.951 -37.272 -5.385 1.00 71.04 C +ATOM 930 N GLY A 139 -43.433 -37.111 -8.498 1.00 63.95 N +ATOM 931 CA GLY A 139 -41.995 -37.264 -8.647 1.00 64.83 C +ATOM 932 C GLY A 139 -41.229 -36.364 -7.676 1.00 65.09 C +ATOM 933 O GLY A 139 -41.638 -35.238 -7.384 1.00 63.35 O +ATOM 934 N THR A 140 -40.108 -36.866 -7.187 1.00 59.03 N +ATOM 935 CA THR A 140 -39.246 -36.089 -6.289 1.00 62.33 C +ATOM 936 C THR A 140 -38.715 -34.847 -7.001 1.00 59.51 C +ATOM 937 O THR A 140 -38.470 -34.838 -8.211 1.00 57.52 O +ATOM 938 CB THR A 140 -38.084 -36.924 -5.733 1.00 62.05 C +ATOM 939 OG1 THR A 140 -37.349 -37.513 -6.776 1.00 60.17 O +ATOM 940 CG2 THR A 140 -38.589 -38.059 -4.842 1.00 61.20 C +ATOM 941 N GLN A 141 -38.563 -33.784 -6.235 1.00 66.63 N +ATOM 942 CA GLN A 141 -37.978 -32.575 -6.783 1.00 69.09 C +ATOM 943 C GLN A 141 -36.521 -32.824 -7.181 1.00 66.92 C +ATOM 944 O GLN A 141 -35.766 -33.421 -6.417 1.00 63.02 O +ATOM 945 CB GLN A 141 -38.119 -31.462 -5.741 1.00 66.30 C +ATOM 946 CG GLN A 141 -37.571 -30.176 -6.316 1.00 63.33 C +ATOM 947 CD GLN A 141 -37.821 -28.945 -5.504 1.00 60.98 C +ATOM 948 OE1 GLN A 141 -38.271 -28.894 -4.379 1.00 59.53 O +ATOM 949 NE2 GLN A 141 -37.490 -27.835 -6.116 1.00 55.75 N +ATOM 950 N GLY A 142 -36.118 -32.302 -8.336 1.00 61.77 N +ATOM 951 CA GLY A 142 -34.733 -32.358 -8.773 1.00 62.39 C +ATOM 952 C GLY A 142 -33.782 -31.733 -7.751 1.00 62.46 C +ATOM 953 O GLY A 142 -34.115 -30.756 -7.071 1.00 60.68 O +ATOM 954 N ALA A 143 -32.596 -32.312 -7.639 1.00 59.98 N +ATOM 955 CA ALA A 143 -31.563 -31.799 -6.750 1.00 63.24 C +ATOM 956 C ALA A 143 -31.228 -30.341 -7.111 1.00 62.35 C +ATOM 957 O ALA A 143 -31.257 -29.929 -8.273 1.00 60.59 O +ATOM 958 CB ALA A 143 -30.331 -32.707 -6.811 1.00 61.35 C +ATOM 959 N LYS A 144 -30.934 -29.549 -6.083 1.00 66.94 N +ATOM 960 CA LYS A 144 -30.499 -28.168 -6.295 1.00 70.92 C +ATOM 961 C LYS A 144 -29.138 -28.179 -6.979 1.00 70.43 C +ATOM 962 O LYS A 144 -28.255 -28.909 -6.529 1.00 67.78 O +ATOM 963 CB LYS A 144 -30.460 -27.460 -4.942 1.00 66.88 C +ATOM 964 CG LYS A 144 -30.279 -25.961 -5.095 1.00 60.59 C +ATOM 965 CD LYS A 144 -30.354 -25.308 -3.718 1.00 60.44 C +ATOM 966 CE LYS A 144 -30.534 -23.806 -3.901 1.00 57.36 C +ATOM 967 NZ LYS A 144 -30.620 -23.104 -2.617 1.00 51.22 N +ATOM 968 N GLY A 145 -28.969 -27.345 -7.994 1.00 60.17 N +ATOM 969 CA GLY A 145 -27.676 -27.197 -8.649 1.00 62.08 C +ATOM 970 C GLY A 145 -26.589 -26.764 -7.668 1.00 63.54 C +ATOM 971 O GLY A 145 -26.852 -26.018 -6.719 1.00 61.51 O +ATOM 972 N ASP A 146 -25.373 -27.227 -7.914 1.00 59.67 N +ATOM 973 CA ASP A 146 -24.234 -26.872 -7.095 1.00 63.62 C +ATOM 974 C ASP A 146 -23.997 -25.359 -7.112 1.00 63.01 C +ATOM 975 O ASP A 146 -24.273 -24.650 -8.080 1.00 61.27 O +ATOM 976 CB ASP A 146 -22.974 -27.635 -7.547 1.00 61.12 C +ATOM 977 CG ASP A 146 -23.070 -29.143 -7.285 1.00 58.36 C +ATOM 978 OD1 ASP A 146 -23.640 -29.504 -6.232 1.00 56.35 O +ATOM 979 OD2 ASP A 146 -22.582 -29.902 -8.141 1.00 53.81 O +ATOM 980 N ARG A 147 -23.500 -24.847 -5.983 1.00 66.63 N +ATOM 981 CA ARG A 147 -23.131 -23.433 -5.902 1.00 70.53 C +ATOM 982 C ARG A 147 -21.925 -23.200 -6.811 1.00 68.81 C +ATOM 983 O ARG A 147 -20.926 -23.896 -6.676 1.00 65.22 O +ATOM 984 CB ARG A 147 -22.859 -23.057 -4.442 1.00 67.08 C +ATOM 985 CG ARG A 147 -22.388 -21.597 -4.313 1.00 62.27 C +ATOM 986 CD ARG A 147 -22.141 -21.229 -2.850 1.00 62.64 C +ATOM 987 NE ARG A 147 -23.393 -21.016 -2.116 1.00 59.80 N +ATOM 988 CZ ARG A 147 -23.525 -20.884 -0.811 1.00 54.50 C +ATOM 989 NH1 ARG A 147 -22.497 -20.956 -0.004 1.00 54.36 N +ATOM 990 NH2 ARG A 147 -24.700 -20.667 -0.277 1.00 52.22 N +ATOM 991 N GLY A 148 -22.007 -22.160 -7.632 1.00 58.99 N +ATOM 992 CA GLY A 148 -20.867 -21.744 -8.435 1.00 59.85 C +ATOM 993 C GLY A 148 -19.647 -21.418 -7.571 1.00 60.72 C +ATOM 994 O GLY A 148 -19.771 -20.888 -6.464 1.00 58.54 O +ATOM 995 N GLU A 149 -18.472 -21.740 -8.078 1.00 55.07 N +ATOM 996 CA GLU A 149 -17.211 -21.449 -7.410 1.00 59.11 C +ATOM 997 C GLU A 149 -17.035 -19.934 -7.198 1.00 57.28 C +ATOM 998 O GLU A 149 -17.510 -19.099 -7.978 1.00 56.07 O +ATOM 999 CB GLU A 149 -16.023 -22.038 -8.181 1.00 57.99 C +ATOM 1000 CG GLU A 149 -16.072 -23.580 -8.217 1.00 54.53 C +ATOM 1001 CD GLU A 149 -14.812 -24.202 -8.841 1.00 52.16 C +ATOM 1002 OE1 GLU A 149 -14.618 -25.418 -8.616 1.00 50.72 O +ATOM 1003 OE2 GLU A 149 -14.057 -23.470 -9.519 1.00 49.41 O +ATOM 1004 N THR A 150 -16.387 -19.586 -6.091 1.00 67.67 N +ATOM 1005 CA THR A 150 -16.044 -18.187 -5.835 1.00 68.12 C +ATOM 1006 C THR A 150 -14.974 -17.766 -6.843 1.00 65.74 C +ATOM 1007 O THR A 150 -14.009 -18.488 -7.042 1.00 62.06 O +ATOM 1008 CB THR A 150 -15.548 -17.999 -4.396 1.00 66.36 C +ATOM 1009 OG1 THR A 150 -16.562 -18.427 -3.505 1.00 62.63 O +ATOM 1010 CG2 THR A 150 -15.246 -16.543 -4.042 1.00 63.00 C +ATOM 1011 N GLY A 151 -15.156 -16.594 -7.447 1.00 55.16 N +ATOM 1012 CA GLY A 151 -14.160 -16.059 -8.363 1.00 56.43 C +ATOM 1013 C GLY A 151 -12.785 -15.915 -7.708 1.00 57.41 C +ATOM 1014 O GLY A 151 -12.691 -15.736 -6.487 1.00 55.86 O +ATOM 1015 N PRO A 152 -11.709 -15.962 -8.502 1.00 58.37 N +ATOM 1016 CA PRO A 152 -10.360 -15.823 -7.976 1.00 61.50 C +ATOM 1017 C PRO A 152 -10.185 -14.469 -7.278 1.00 59.62 C +ATOM 1018 O PRO A 152 -10.827 -13.474 -7.620 1.00 58.66 O +ATOM 1019 CB PRO A 152 -9.433 -15.975 -9.185 1.00 61.18 C +ATOM 1020 CG PRO A 152 -10.303 -15.543 -10.363 1.00 59.24 C +ATOM 1021 CD PRO A 152 -11.694 -16.027 -9.941 1.00 60.44 C +ATOM 1022 N VAL A 153 -9.295 -14.440 -6.284 1.00 65.23 N +ATOM 1023 CA VAL A 153 -8.892 -13.188 -5.641 1.00 67.83 C +ATOM 1024 C VAL A 153 -8.241 -12.286 -6.691 1.00 67.11 C +ATOM 1025 O VAL A 153 -7.430 -12.748 -7.490 1.00 64.10 O +ATOM 1026 CB VAL A 153 -7.947 -13.458 -4.453 1.00 65.19 C +ATOM 1027 CG1 VAL A 153 -7.472 -12.177 -3.774 1.00 59.73 C +ATOM 1028 CG2 VAL A 153 -8.652 -14.303 -3.389 1.00 61.51 C +ATOM 1029 N GLY A 154 -8.608 -11.007 -6.686 1.00 56.29 N +ATOM 1030 CA GLY A 154 -8.003 -10.029 -7.576 1.00 58.50 C +ATOM 1031 C GLY A 154 -6.479 -9.946 -7.397 1.00 60.93 C +ATOM 1032 O GLY A 154 -5.965 -10.234 -6.314 1.00 59.37 O +ATOM 1033 N PRO A 155 -5.746 -9.532 -8.444 1.00 57.97 N +ATOM 1034 CA PRO A 155 -4.302 -9.402 -8.356 1.00 61.95 C +ATOM 1035 C PRO A 155 -3.916 -8.428 -7.243 1.00 61.29 C +ATOM 1036 O PRO A 155 -4.634 -7.472 -6.941 1.00 59.69 O +ATOM 1037 CB PRO A 155 -3.843 -8.924 -9.737 1.00 60.86 C +ATOM 1038 CG PRO A 155 -5.071 -8.218 -10.297 1.00 58.21 C +ATOM 1039 CD PRO A 155 -6.232 -9.026 -9.711 1.00 58.66 C +ATOM 1040 N ARG A 156 -2.766 -8.686 -6.613 1.00 64.37 N +ATOM 1041 CA ARG A 156 -2.212 -7.758 -5.632 1.00 69.26 C +ATOM 1042 C ARG A 156 -1.869 -6.434 -6.318 1.00 66.96 C +ATOM 1043 O ARG A 156 -1.289 -6.449 -7.398 1.00 63.64 O +ATOM 1044 CB ARG A 156 -0.995 -8.410 -4.956 1.00 66.31 C +ATOM 1045 CG ARG A 156 -0.381 -7.495 -3.896 1.00 61.57 C +ATOM 1046 CD ARG A 156 0.775 -8.173 -3.169 1.00 60.88 C +ATOM 1047 NE ARG A 156 0.321 -9.036 -2.069 1.00 58.78 N +ATOM 1048 CZ ARG A 156 1.116 -9.675 -1.224 1.00 52.73 C +ATOM 1049 NH1 ARG A 156 2.410 -9.642 -1.331 1.00 52.63 N +ATOM 1050 NH2 ARG A 156 0.617 -10.364 -0.243 1.00 51.05 N +ATOM 1051 N GLY A 157 -2.203 -5.318 -5.656 1.00 59.59 N +ATOM 1052 CA GLY A 157 -1.839 -3.999 -6.152 1.00 61.39 C +ATOM 1053 C GLY A 157 -0.330 -3.849 -6.356 1.00 63.64 C +ATOM 1054 O GLY A 157 0.467 -4.458 -5.637 1.00 61.00 O +ATOM 1055 N GLU A 158 0.038 -3.053 -7.346 1.00 55.54 N +ATOM 1056 CA GLU A 158 1.438 -2.764 -7.621 1.00 61.52 C +ATOM 1057 C GLU A 158 2.101 -2.083 -6.423 1.00 60.12 C +ATOM 1058 O GLU A 158 1.468 -1.363 -5.641 1.00 58.52 O +ATOM 1059 CB GLU A 158 1.594 -1.928 -8.893 1.00 59.67 C +ATOM 1060 CG GLU A 158 1.133 -2.713 -10.137 1.00 55.47 C +ATOM 1061 CD GLU A 158 1.393 -1.976 -11.464 1.00 52.06 C +ATOM 1062 OE1 GLU A 158 1.278 -2.661 -12.504 1.00 49.68 O +ATOM 1063 OE2 GLU A 158 1.692 -0.771 -11.414 1.00 48.96 O +ATOM 1064 N ARG A 159 3.385 -2.366 -6.253 1.00 63.99 N +ATOM 1065 CA ARG A 159 4.163 -1.731 -5.190 1.00 67.98 C +ATOM 1066 C ARG A 159 4.354 -0.259 -5.522 1.00 64.98 C +ATOM 1067 O ARG A 159 4.763 0.043 -6.636 1.00 61.73 O +ATOM 1068 CB ARG A 159 5.484 -2.463 -5.038 1.00 65.83 C +ATOM 1069 CG ARG A 159 6.229 -2.011 -3.786 1.00 61.48 C +ATOM 1070 CD ARG A 159 7.470 -2.878 -3.605 1.00 61.53 C +ATOM 1071 NE ARG A 159 7.876 -2.918 -2.200 1.00 59.24 N +ATOM 1072 CZ ARG A 159 8.798 -3.699 -1.680 1.00 54.11 C +ATOM 1073 NH1 ARG A 159 9.513 -4.500 -2.413 1.00 54.12 N +ATOM 1074 NH2 ARG A 159 9.007 -3.686 -0.393 1.00 52.49 N +ATOM 1075 N GLY A 160 4.127 0.615 -4.538 1.00 58.47 N +ATOM 1076 CA GLY A 160 4.399 2.034 -4.709 1.00 59.69 C +ATOM 1077 C GLY A 160 5.853 2.296 -5.137 1.00 60.62 C +ATOM 1078 O GLY A 160 6.772 1.595 -4.710 1.00 57.73 O +ATOM 1079 N GLU A 161 6.030 3.301 -5.981 1.00 52.86 N +ATOM 1080 CA GLU A 161 7.356 3.729 -6.409 1.00 58.31 C +ATOM 1081 C GLU A 161 8.185 4.201 -5.210 1.00 55.61 C +ATOM 1082 O GLU A 161 7.664 4.724 -4.221 1.00 55.03 O +ATOM 1083 CB GLU A 161 7.267 4.819 -7.475 1.00 58.15 C +ATOM 1084 CG GLU A 161 6.639 4.303 -8.790 1.00 54.50 C +ATOM 1085 CD GLU A 161 6.686 5.333 -9.929 1.00 51.94 C +ATOM 1086 OE1 GLU A 161 6.512 4.905 -11.087 1.00 50.27 O +ATOM 1087 OE2 GLU A 161 6.909 6.534 -9.647 1.00 49.93 O +ATOM 1088 N ALA A 162 9.498 3.965 -5.279 1.00 60.86 N +ATOM 1089 CA ALA A 162 10.402 4.482 -4.264 1.00 63.32 C +ATOM 1090 C ALA A 162 10.391 6.018 -4.304 1.00 61.77 C +ATOM 1091 O ALA A 162 10.384 6.611 -5.375 1.00 59.20 O +ATOM 1092 CB ALA A 162 11.809 3.913 -4.481 1.00 62.10 C +ATOM 1093 N GLY A 163 10.400 6.632 -3.125 1.00 55.55 N +ATOM 1094 CA GLY A 163 10.533 8.083 -3.049 1.00 57.58 C +ATOM 1095 C GLY A 163 11.817 8.561 -3.747 1.00 57.30 C +ATOM 1096 O GLY A 163 12.815 7.841 -3.770 1.00 55.44 O +ATOM 1097 N PRO A 164 11.812 9.790 -4.306 1.00 52.45 N +ATOM 1098 CA PRO A 164 13.000 10.354 -4.921 1.00 57.34 C +ATOM 1099 C PRO A 164 14.140 10.444 -3.906 1.00 55.29 C +ATOM 1100 O PRO A 164 13.906 10.658 -2.703 1.00 54.59 O +ATOM 1101 CB PRO A 164 12.580 11.731 -5.456 1.00 57.91 C +ATOM 1102 CG PRO A 164 11.413 12.116 -4.557 1.00 56.27 C +ATOM 1103 CD PRO A 164 10.737 10.768 -4.269 1.00 57.84 C +ATOM 1104 N ALA A 165 15.373 10.295 -4.383 1.00 57.36 N +ATOM 1105 CA ALA A 165 16.540 10.525 -3.543 1.00 61.84 C +ATOM 1106 C ALA A 165 16.517 11.961 -2.984 1.00 59.68 C +ATOM 1107 O ALA A 165 16.113 12.902 -3.673 1.00 57.53 O +ATOM 1108 CB ALA A 165 17.818 10.236 -4.339 1.00 60.95 C +ATOM 1109 N GLY A 166 16.948 12.111 -1.738 1.00 54.69 N +ATOM 1110 CA GLY A 166 17.130 13.426 -1.149 1.00 57.38 C +ATOM 1111 C GLY A 166 18.111 14.267 -1.968 1.00 57.54 C +ATOM 1112 O GLY A 166 19.057 13.747 -2.542 1.00 55.85 O +ATOM 1113 N LYS A 167 17.865 15.575 -2.016 1.00 55.99 N +ATOM 1114 CA LYS A 167 18.779 16.499 -2.697 1.00 62.83 C +ATOM 1115 C LYS A 167 20.139 16.487 -2.000 1.00 61.09 C +ATOM 1116 O LYS A 167 20.208 16.377 -0.777 1.00 60.05 O +ATOM 1117 CB LYS A 167 18.198 17.924 -2.721 1.00 60.42 C +ATOM 1118 CG LYS A 167 16.907 18.018 -3.543 1.00 56.34 C +ATOM 1119 CD LYS A 167 16.397 19.457 -3.555 1.00 54.30 C +ATOM 1120 CE LYS A 167 15.088 19.562 -4.338 1.00 50.62 C +ATOM 1121 NZ LYS A 167 14.555 20.946 -4.322 1.00 45.12 N +ATOM 1122 N ASP A 168 21.198 16.641 -2.795 1.00 60.01 N +ATOM 1123 CA ASP A 168 22.533 16.819 -2.250 1.00 65.86 C +ATOM 1124 C ASP A 168 22.561 18.023 -1.293 1.00 64.14 C +ATOM 1125 O ASP A 168 21.941 19.056 -1.557 1.00 60.26 O +ATOM 1126 CB ASP A 168 23.569 17.012 -3.370 1.00 62.97 C +ATOM 1127 CG ASP A 168 23.816 15.763 -4.208 1.00 59.58 C +ATOM 1128 OD1 ASP A 168 23.491 14.649 -3.741 1.00 56.64 O +ATOM 1129 OD2 ASP A 168 24.381 15.930 -5.320 1.00 54.69 O +ATOM 1130 N GLY A 169 23.292 17.872 -0.196 1.00 57.36 N +ATOM 1131 CA GLY A 169 23.518 18.974 0.721 1.00 59.08 C +ATOM 1132 C GLY A 169 24.225 20.139 0.031 1.00 59.33 C +ATOM 1133 O GLY A 169 25.081 19.958 -0.839 1.00 57.22 O +ATOM 1134 N GLU A 170 23.882 21.351 0.437 1.00 52.31 N +ATOM 1135 CA GLU A 170 24.544 22.549 -0.073 1.00 58.74 C +ATOM 1136 C GLU A 170 26.046 22.501 0.233 1.00 57.13 C +ATOM 1137 O GLU A 170 26.490 22.028 1.284 1.00 55.96 O +ATOM 1138 CB GLU A 170 23.909 23.830 0.488 1.00 58.07 C +ATOM 1139 CG GLU A 170 22.457 24.008 -0.007 1.00 53.75 C +ATOM 1140 CD GLU A 170 21.834 25.356 0.413 1.00 50.02 C +ATOM 1141 OE1 GLU A 170 20.764 25.683 -0.166 1.00 47.84 O +ATOM 1142 OE2 GLU A 170 22.406 26.033 1.287 1.00 47.01 O +ATOM 1143 N ARG A 171 26.831 22.998 -0.728 1.00 57.39 N +ATOM 1144 CA ARG A 171 28.279 23.105 -0.528 1.00 61.57 C +ATOM 1145 C ARG A 171 28.560 24.093 0.599 1.00 59.15 C +ATOM 1146 O ARG A 171 28.032 25.206 0.596 1.00 56.40 O +ATOM 1147 CB ARG A 171 28.943 23.503 -1.857 1.00 60.35 C +ATOM 1148 CG ARG A 171 30.461 23.669 -1.704 1.00 56.60 C +ATOM 1149 CD ARG A 171 31.117 23.994 -3.054 1.00 56.38 C +ATOM 1150 NE ARG A 171 31.293 22.789 -3.888 1.00 54.41 N +ATOM 1151 CZ ARG A 171 31.633 22.773 -5.166 1.00 49.22 C +ATOM 1152 NH1 ARG A 171 31.786 23.866 -5.853 1.00 49.91 N +ATOM 1153 NH2 ARG A 171 31.835 21.642 -5.776 1.00 48.31 N +ATOM 1154 N GLY A 172 29.436 23.700 1.517 1.00 57.53 N +ATOM 1155 CA GLY A 172 29.889 24.599 2.573 1.00 58.62 C +ATOM 1156 C GLY A 172 30.512 25.889 2.011 1.00 58.73 C +ATOM 1157 O GLY A 172 31.103 25.862 0.922 1.00 56.98 O +ATOM 1158 N PRO A 173 30.423 27.007 2.740 1.00 57.07 N +ATOM 1159 CA PRO A 173 31.012 28.265 2.315 1.00 61.12 C +ATOM 1160 C PRO A 173 32.537 28.118 2.142 1.00 58.83 C +ATOM 1161 O PRO A 173 33.189 27.314 2.819 1.00 57.62 O +ATOM 1162 CB PRO A 173 30.639 29.298 3.379 1.00 61.02 C +ATOM 1163 CG PRO A 173 30.437 28.445 4.632 1.00 58.57 C +ATOM 1164 CD PRO A 173 29.850 27.145 4.073 1.00 59.75 C +ATOM 1165 N VAL A 174 33.088 28.908 1.224 1.00 61.02 N +ATOM 1166 CA VAL A 174 34.542 29.004 1.086 1.00 64.61 C +ATOM 1167 C VAL A 174 35.124 29.570 2.384 1.00 63.02 C +ATOM 1168 O VAL A 174 34.574 30.522 2.943 1.00 59.79 O +ATOM 1169 CB VAL A 174 34.925 29.864 -0.140 1.00 62.73 C +ATOM 1170 CG1 VAL A 174 36.441 30.006 -0.315 1.00 57.71 C +ATOM 1171 CG2 VAL A 174 34.384 29.234 -1.433 1.00 58.77 C +ATOM 1172 N GLY A 175 36.218 28.973 2.866 1.00 56.77 N +ATOM 1173 CA GLY A 175 36.910 29.476 4.047 1.00 57.92 C +ATOM 1174 C GLY A 175 37.395 30.922 3.839 1.00 57.90 C +ATOM 1175 O GLY A 175 37.688 31.313 2.710 1.00 56.55 O +ATOM 1176 N PRO A 176 37.502 31.706 4.911 1.00 55.69 N +ATOM 1177 CA PRO A 176 37.993 33.070 4.813 1.00 60.21 C +ATOM 1178 C PRO A 176 39.411 33.092 4.227 1.00 58.15 C +ATOM 1179 O PRO A 176 40.194 32.154 4.431 1.00 57.13 O +ATOM 1180 CB PRO A 176 37.939 33.636 6.234 1.00 60.42 C +ATOM 1181 CG PRO A 176 38.047 32.393 7.115 1.00 58.49 C +ATOM 1182 CD PRO A 176 37.299 31.330 6.304 1.00 59.23 C +ATOM 1183 N ALA A 177 39.742 34.179 3.519 1.00 57.79 N +ATOM 1184 CA ALA A 177 41.112 34.397 3.068 1.00 62.04 C +ATOM 1185 C ALA A 177 42.080 34.404 4.264 1.00 60.46 C +ATOM 1186 O ALA A 177 41.731 34.855 5.362 1.00 57.88 O +ATOM 1187 CB ALA A 177 41.184 35.700 2.259 1.00 60.53 C +ATOM 1188 N GLY A 178 43.294 33.891 4.039 1.00 55.88 N +ATOM 1189 CA GLY A 178 44.354 33.976 5.025 1.00 57.77 C +ATOM 1190 C GLY A 178 44.684 35.432 5.365 1.00 57.74 C +ATOM 1191 O GLY A 178 44.515 36.329 4.543 1.00 55.81 O +ATOM 1192 N LYS A 179 45.137 35.655 6.589 1.00 53.58 N +ATOM 1193 CA LYS A 179 45.551 37.000 7.027 1.00 60.23 C +ATOM 1194 C LYS A 179 46.755 37.461 6.216 1.00 57.67 C +ATOM 1195 O LYS A 179 47.626 36.655 5.894 1.00 57.23 O +ATOM 1196 CB LYS A 179 45.879 37.011 8.523 1.00 59.52 C +ATOM 1197 CG LYS A 179 44.645 36.713 9.406 1.00 56.97 C +ATOM 1198 CD LYS A 179 45.025 36.761 10.880 1.00 55.34 C +ATOM 1199 CE LYS A 179 43.803 36.437 11.751 1.00 52.31 C +ATOM 1200 NZ LYS A 179 44.138 36.449 13.192 1.00 46.75 N +ATOM 1201 N ASP A 180 46.809 38.764 5.952 1.00 55.43 N +ATOM 1202 CA ASP A 180 47.981 39.370 5.329 1.00 60.45 C +ATOM 1203 C ASP A 180 49.242 39.089 6.155 1.00 58.20 C +ATOM 1204 O ASP A 180 49.214 39.061 7.395 1.00 55.63 O +ATOM 1205 CB ASP A 180 47.777 40.880 5.128 1.00 59.17 C +ATOM 1206 CG ASP A 180 46.679 41.214 4.118 1.00 56.38 C +ATOM 1207 OD1 ASP A 180 46.400 40.347 3.250 1.00 54.04 O +ATOM 1208 OD2 ASP A 180 46.126 42.317 4.225 1.00 51.83 O +ATOM 1209 N GLY A 181 50.365 38.867 5.445 1.00 59.27 N +ATOM 1210 CA GLY A 181 51.673 38.748 6.073 1.00 60.92 C +ATOM 1211 C GLY A 181 52.048 40.037 6.813 1.00 61.00 C +ATOM 1212 O GLY A 181 51.666 41.137 6.423 1.00 58.42 O +ATOM 1213 N GLN A 182 52.805 39.879 7.880 1.00 52.31 N +ATOM 1214 CA GLN A 182 53.298 41.047 8.620 1.00 56.80 C +ATOM 1215 C GLN A 182 54.269 41.849 7.758 1.00 55.51 C +ATOM 1216 O GLN A 182 55.052 41.283 6.997 1.00 54.20 O +ATOM 1217 CB GLN A 182 53.957 40.606 9.940 1.00 56.52 C +ATOM 1218 CG GLN A 182 52.931 40.007 10.920 1.00 54.51 C +ATOM 1219 CD GLN A 182 53.538 39.591 12.261 1.00 50.88 C +ATOM 1220 OE1 GLN A 182 54.739 39.550 12.472 1.00 50.40 O +ATOM 1221 NE2 GLN A 182 52.729 39.251 13.237 1.00 46.71 N +ATOM 1222 N ASN A 183 54.226 43.173 7.903 1.00 59.85 N +ATOM 1223 CA ASN A 183 55.189 44.046 7.240 1.00 64.29 C +ATOM 1224 C ASN A 183 56.616 43.699 7.680 1.00 62.40 C +ATOM 1225 O ASN A 183 56.860 43.400 8.848 1.00 59.09 O +ATOM 1226 CB ASN A 183 54.859 45.520 7.541 1.00 61.60 C +ATOM 1227 CG ASN A 183 53.570 46.002 6.891 1.00 57.61 C +ATOM 1228 OD1 ASN A 183 52.978 45.360 6.046 1.00 55.20 O +ATOM 1229 ND2 ASN A 183 53.086 47.165 7.261 1.00 52.81 N +ATOM 1230 N GLY A 184 57.554 43.772 6.734 1.00 59.51 N +ATOM 1231 CA GLY A 184 58.972 43.665 7.050 1.00 60.71 C +ATOM 1232 C GLY A 184 59.408 44.755 8.035 1.00 61.32 C +ATOM 1233 O GLY A 184 58.862 45.855 8.048 1.00 59.08 O +ATOM 1234 N GLN A 185 60.395 44.440 8.864 1.00 52.34 N +ATOM 1235 CA GLN A 185 60.960 45.418 9.793 1.00 57.04 C +ATOM 1236 C GLN A 185 61.702 46.516 9.021 1.00 56.02 C +ATOM 1237 O GLN A 185 62.325 46.247 7.997 1.00 54.71 O +ATOM 1238 CB GLN A 185 61.884 44.738 10.807 1.00 56.70 C +ATOM 1239 CG GLN A 185 61.099 43.817 11.770 1.00 54.13 C +ATOM 1240 CD GLN A 185 61.979 43.141 12.815 1.00 50.84 C +ATOM 1241 OE1 GLN A 185 63.199 43.150 12.786 1.00 50.08 O +ATOM 1242 NE2 GLN A 185 61.397 42.486 13.792 1.00 46.43 N +ATOM 1243 N ASP A 186 61.632 47.734 9.543 1.00 57.97 N +ATOM 1244 CA ASP A 186 62.398 48.853 9.001 1.00 62.48 C +ATOM 1245 C ASP A 186 63.897 48.538 9.010 1.00 60.82 C +ATOM 1246 O ASP A 186 64.431 47.981 9.970 1.00 57.48 O +ATOM 1247 CB ASP A 186 62.142 50.127 9.825 1.00 60.79 C +ATOM 1248 CG ASP A 186 60.771 50.767 9.625 1.00 58.23 C +ATOM 1249 OD1 ASP A 186 60.022 50.328 8.727 1.00 56.24 O +ATOM 1250 OD2 ASP A 186 60.519 51.770 10.335 1.00 53.92 O +ATOM 1251 N GLY A 187 64.604 48.944 7.955 1.00 61.29 N +ATOM 1252 CA GLY A 187 66.062 48.867 7.914 1.00 61.71 C +ATOM 1253 C GLY A 187 66.709 49.693 9.037 1.00 61.88 C +ATOM 1254 O GLY A 187 66.218 50.757 9.411 1.00 59.64 O +ATOM 1255 N LEU A 188 67.834 49.209 9.553 1.00 51.83 N +ATOM 1256 CA LEU A 188 68.565 49.924 10.607 1.00 56.89 C +ATOM 1257 C LEU A 188 69.117 51.263 10.075 1.00 56.22 C +ATOM 1258 O LEU A 188 69.532 51.327 8.915 1.00 56.07 O +ATOM 1259 CB LEU A 188 69.698 49.037 11.159 1.00 56.49 C +ATOM 1260 CG LEU A 188 69.235 47.778 11.918 1.00 53.01 C +ATOM 1261 CD1 LEU A 188 70.440 46.917 12.269 1.00 51.54 C +ATOM 1262 CD2 LEU A 188 68.492 48.120 13.201 1.00 50.56 C +ATOM 1263 N PRO A 189 69.168 52.297 10.912 1.00 58.40 N +ATOM 1264 CA PRO A 189 69.814 53.560 10.541 1.00 61.64 C +ATOM 1265 C PRO A 189 71.281 53.336 10.134 1.00 59.65 C +ATOM 1266 O PRO A 189 71.988 52.526 10.741 1.00 58.50 O +ATOM 1267 CB PRO A 189 69.707 54.474 11.762 1.00 61.32 C +ATOM 1268 CG PRO A 189 68.516 53.917 12.536 1.00 56.70 C +ATOM 1269 CD PRO A 189 68.575 52.426 12.258 1.00 58.54 C +ATOM 1270 N GLY A 190 71.730 54.068 9.124 1.00 58.01 N +ATOM 1271 CA GLY A 190 73.147 54.096 8.770 1.00 59.31 C +ATOM 1272 C GLY A 190 74.007 54.623 9.940 1.00 59.45 C +ATOM 1273 O GLY A 190 73.549 55.443 10.730 1.00 57.78 O +ATOM 1274 N LYS A 191 75.267 54.155 10.041 1.00 51.17 N +ATOM 1275 CA LYS A 191 76.200 54.637 11.076 1.00 56.44 C +ATOM 1276 C LYS A 191 76.596 56.083 10.793 1.00 54.87 C +ATOM 1277 O LYS A 191 76.849 56.428 9.640 1.00 54.48 O +ATOM 1278 CB LYS A 191 77.442 53.734 11.149 1.00 55.96 C +ATOM 1279 CG LYS A 191 77.117 52.316 11.632 1.00 53.05 C +ATOM 1280 CD LYS A 191 78.371 51.450 11.705 1.00 51.29 C +ATOM 1281 CE LYS A 191 77.998 50.032 12.153 1.00 48.51 C +ATOM 1282 NZ LYS A 191 79.155 49.105 12.152 1.00 43.30 N +ATOM 1283 N ASP A 192 76.722 56.887 11.860 1.00 55.10 N +ATOM 1284 CA ASP A 192 77.184 58.266 11.763 1.00 59.15 C +ATOM 1285 C ASP A 192 78.584 58.337 11.124 1.00 57.11 C +ATOM 1286 O ASP A 192 79.459 57.500 11.381 1.00 54.82 O +ATOM 1287 CB ASP A 192 77.177 58.939 13.142 1.00 57.38 C +ATOM 1288 CG ASP A 192 75.777 59.055 13.765 1.00 53.32 C +ATOM 1289 OD1 ASP A 192 74.796 59.086 12.996 1.00 50.73 O +ATOM 1290 OD2 ASP A 192 75.709 59.075 15.003 1.00 49.06 O +ATOM 1291 N GLY A 193 78.783 59.334 10.269 1.00 55.94 N +ATOM 1292 CA GLY A 193 80.097 59.636 9.711 1.00 56.96 C +ATOM 1293 C GLY A 193 81.088 60.043 10.815 1.00 57.00 C +ATOM 1294 O GLY A 193 80.702 60.640 11.817 1.00 55.04 O +ATOM 1295 N LYS A 194 82.387 59.722 10.614 1.00 51.57 N +ATOM 1296 CA LYS A 194 83.433 60.150 11.561 1.00 56.04 C +ATOM 1297 C LYS A 194 83.624 61.670 11.472 1.00 54.17 C +ATOM 1298 O LYS A 194 83.721 62.207 10.371 1.00 53.51 O +ATOM 1299 CB LYS A 194 84.763 59.429 11.277 1.00 55.32 C +ATOM 1300 CG LYS A 194 84.713 57.931 11.565 1.00 51.40 C +ATOM 1301 CD LYS A 194 86.081 57.293 11.278 1.00 49.52 C +ATOM 1302 CE LYS A 194 86.055 55.789 11.534 1.00 46.17 C +ATOM 1303 NZ LYS A 194 87.343 55.148 11.177 1.00 41.62 N +ATOM 1304 N ASP A 195 83.753 62.307 12.633 1.00 53.12 N +ATOM 1305 CA ASP A 195 84.004 63.742 12.724 1.00 56.76 C +ATOM 1306 C ASP A 195 85.264 64.147 11.939 1.00 54.81 C +ATOM 1307 O ASP A 195 86.341 63.566 12.099 1.00 52.80 O +ATOM 1308 CB ASP A 195 84.136 64.183 14.189 1.00 55.49 C +ATOM 1309 CG ASP A 195 82.858 64.016 15.008 1.00 51.71 C +ATOM 1310 OD1 ASP A 195 81.775 64.048 14.393 1.00 49.29 O +ATOM 1311 OD2 ASP A 195 82.990 63.844 16.235 1.00 47.73 O +ATOM 1312 N GLY A 196 85.117 65.169 11.102 1.00 52.99 N +ATOM 1313 CA GLY A 196 86.247 65.802 10.422 1.00 54.23 C +ATOM 1314 C GLY A 196 87.083 66.637 11.393 1.00 54.51 C +ATOM 1315 O GLY A 196 86.554 67.304 12.279 1.00 52.68 O +ATOM 1316 N GLN A 197 88.419 66.669 11.205 1.00 46.83 N +ATOM 1317 CA GLN A 197 89.304 67.527 11.998 1.00 51.02 C +ATOM 1318 C GLN A 197 89.054 69.013 11.699 1.00 49.63 C +ATOM 1319 O GLN A 197 88.941 69.413 10.539 1.00 48.90 O +ATOM 1320 CB GLN A 197 90.778 67.161 11.751 1.00 51.05 C +ATOM 1321 CG GLN A 197 91.165 65.789 12.330 1.00 47.97 C +ATOM 1322 CD GLN A 197 92.636 65.436 12.119 1.00 44.38 C +ATOM 1323 OE1 GLN A 197 93.390 66.084 11.432 1.00 43.11 O +ATOM 1324 NE2 GLN A 197 93.105 64.356 12.719 1.00 40.66 N +ATOM 1325 N ASN A 198 88.989 69.839 12.747 1.00 53.99 N +ATOM 1326 CA ASN A 198 88.723 71.273 12.668 1.00 58.67 C +ATOM 1327 C ASN A 198 89.742 72.019 11.785 1.00 56.41 C +ATOM 1328 O ASN A 198 90.931 72.078 12.097 1.00 53.67 O +ATOM 1329 CB ASN A 198 88.715 71.869 14.090 1.00 56.06 C +ATOM 1330 CG ASN A 198 87.456 71.561 14.878 1.00 50.72 C +ATOM 1331 OD1 ASN A 198 86.411 71.276 14.327 1.00 48.14 O +ATOM 1332 ND2 ASN A 198 87.497 71.620 16.187 1.00 45.31 N +ATOM 1333 N GLY A 199 89.243 72.695 10.742 1.00 51.20 N +ATOM 1334 CA GLY A 199 89.948 73.700 9.957 1.00 52.42 C +ATOM 1335 C GLY A 199 89.265 75.067 10.074 1.00 52.25 C +ATOM 1336 O GLY A 199 88.051 75.135 10.261 1.00 50.76 O +ATOM 1337 N LYS A 200 90.067 76.164 9.996 1.00 48.07 N +ATOM 1338 CA LYS A 200 89.695 77.546 10.360 1.00 54.84 C +ATOM 1339 C LYS A 200 88.509 78.122 9.564 1.00 52.96 C +ATOM 1340 O LYS A 200 88.318 77.814 8.398 1.00 53.08 O +ATOM 1341 CB LYS A 200 90.933 78.451 10.182 1.00 55.03 C +ATOM 1342 CG LYS A 200 92.082 78.110 11.129 1.00 51.48 C +ATOM 1343 CD LYS A 200 93.328 78.943 10.806 1.00 49.42 C +ATOM 1344 CE LYS A 200 94.468 78.584 11.768 1.00 46.44 C +ATOM 1345 NZ LYS A 200 95.731 79.293 11.441 1.00 41.15 N +ATOM 1346 N ASP A 201 87.776 79.033 10.230 1.00 53.13 N +ATOM 1347 CA ASP A 201 86.525 79.665 9.806 1.00 58.56 C +ATOM 1348 C ASP A 201 86.555 80.317 8.411 1.00 55.34 C +ATOM 1349 O ASP A 201 87.475 81.050 8.050 1.00 53.07 O +ATOM 1350 CB ASP A 201 86.146 80.745 10.833 1.00 57.33 C +ATOM 1351 CG ASP A 201 85.927 80.184 12.234 1.00 53.54 C +ATOM 1352 OD1 ASP A 201 85.350 79.079 12.319 1.00 50.83 O +ATOM 1353 OD2 ASP A 201 86.374 80.838 13.194 1.00 48.12 O +ATOM 1354 N GLY A 202 85.473 80.147 7.643 1.00 53.48 N +ATOM 1355 CA GLY A 202 85.210 80.867 6.400 1.00 55.11 C +ATOM 1356 C GLY A 202 83.787 80.702 5.845 1.00 54.56 C +ATOM 1357 O GLY A 202 83.493 79.675 5.254 1.00 53.08 O +ATOM 1358 N LEU A 203 82.970 81.755 5.995 1.00 48.44 N +ATOM 1359 CA LEU A 203 81.709 82.163 5.318 1.00 55.65 C +ATOM 1360 C LEU A 203 80.494 81.185 5.257 1.00 54.01 C +ATOM 1361 O LEU A 203 80.632 80.012 4.934 1.00 54.35 O +ATOM 1362 CB LEU A 203 82.032 82.746 3.922 1.00 55.47 C +ATOM 1363 CG LEU A 203 82.941 83.993 3.935 1.00 50.28 C +ATOM 1364 CD1 LEU A 203 83.320 84.378 2.511 1.00 47.49 C +ATOM 1365 CD2 LEU A 203 82.271 85.193 4.593 1.00 46.45 C +ATOM 1366 N PRO A 204 79.253 81.723 5.479 1.00 56.73 N +ATOM 1367 CA PRO A 204 78.039 80.900 5.580 1.00 61.64 C +ATOM 1368 C PRO A 204 77.565 80.344 4.222 1.00 58.99 C +ATOM 1369 O PRO A 204 77.475 81.072 3.237 1.00 58.33 O +ATOM 1370 CB PRO A 204 76.950 81.798 6.201 1.00 61.14 C +ATOM 1371 CG PRO A 204 77.663 83.051 6.687 1.00 55.46 C +ATOM 1372 CD PRO A 204 78.882 83.135 5.829 1.00 56.37 C +ATOM 1373 N GLY A 205 77.210 79.103 4.190 1.00 56.54 N +ATOM 1374 CA GLY A 205 76.527 78.448 3.067 1.00 59.61 C +ATOM 1375 C GLY A 205 75.006 78.395 3.247 1.00 59.89 C +ATOM 1376 O GLY A 205 74.519 78.437 4.374 1.00 59.08 O +ATOM 1377 N LYS A 206 74.233 78.354 2.110 1.00 52.95 N +ATOM 1378 CA LYS A 206 72.757 78.420 2.070 1.00 61.30 C +ATOM 1379 C LYS A 206 72.099 77.115 2.548 1.00 59.27 C +ATOM 1380 O LYS A 206 72.597 76.037 2.249 1.00 59.86 O +ATOM 1381 CB LYS A 206 72.289 78.722 0.628 1.00 61.12 C +ATOM 1382 CG LYS A 206 72.701 80.106 0.120 1.00 55.90 C +ATOM 1383 CD LYS A 206 72.261 80.292 -1.340 1.00 52.38 C +ATOM 1384 CE LYS A 206 72.655 81.684 -1.843 1.00 49.18 C +ATOM 1385 NZ LYS A 206 72.343 81.879 -3.277 1.00 43.39 N +ATOM 1386 N ASP A 207 70.937 77.269 3.173 1.00 56.13 N +ATOM 1387 CA ASP A 207 70.116 76.161 3.672 1.00 63.65 C +ATOM 1388 C ASP A 207 69.719 75.163 2.572 1.00 59.24 C +ATOM 1389 O ASP A 207 69.407 75.533 1.434 1.00 56.33 O +ATOM 1390 CB ASP A 207 68.852 76.723 4.365 1.00 62.33 C +ATOM 1391 CG ASP A 207 69.170 77.651 5.546 1.00 56.74 C +ATOM 1392 OD1 ASP A 207 70.181 77.394 6.228 1.00 52.68 O +ATOM 1393 OD2 ASP A 207 68.431 78.640 5.708 1.00 49.80 O +ATOM 1394 N GLY A 208 69.761 73.894 2.905 1.00 58.60 N +ATOM 1395 CA GLY A 208 69.290 72.804 2.051 1.00 60.56 C +ATOM 1396 C GLY A 208 67.756 72.678 2.048 1.00 60.32 C +ATOM 1397 O GLY A 208 67.109 72.997 3.037 1.00 58.84 O +ATOM 1398 N LYS A 209 67.168 72.230 0.911 1.00 54.79 N +ATOM 1399 CA LYS A 209 65.718 72.006 0.792 1.00 62.73 C +ATOM 1400 C LYS A 209 65.314 70.670 1.427 1.00 60.07 C +ATOM 1401 O LYS A 209 65.998 69.670 1.215 1.00 60.61 O +ATOM 1402 CB LYS A 209 65.276 72.026 -0.687 1.00 62.49 C +ATOM 1403 CG LYS A 209 65.401 73.395 -1.348 1.00 57.35 C +ATOM 1404 CD LYS A 209 64.909 73.315 -2.798 1.00 53.91 C +ATOM 1405 CE LYS A 209 64.990 74.685 -3.489 1.00 50.63 C +ATOM 1406 NZ LYS A 209 64.525 74.616 -4.885 1.00 44.90 N +ATOM 1407 N ASP A 210 64.184 70.686 2.107 1.00 58.31 N +ATOM 1408 CA ASP A 210 63.585 69.487 2.688 1.00 64.75 C +ATOM 1409 C ASP A 210 63.275 68.410 1.630 1.00 60.43 C +ATOM 1410 O ASP A 210 62.878 68.708 0.490 1.00 57.17 O +ATOM 1411 CB ASP A 210 62.299 69.864 3.455 1.00 63.83 C +ATOM 1412 CG ASP A 210 62.547 70.795 4.652 1.00 58.24 C +ATOM 1413 OD1 ASP A 210 63.633 70.688 5.250 1.00 54.23 O +ATOM 1414 OD2 ASP A 210 61.651 71.620 4.919 1.00 51.23 O +ATOM 1415 N GLY A 211 63.469 67.155 1.982 1.00 61.36 N +ATOM 1416 CA GLY A 211 63.113 66.008 1.154 1.00 62.83 C +ATOM 1417 C GLY A 211 61.592 65.816 1.044 1.00 62.71 C +ATOM 1418 O GLY A 211 60.859 66.048 2.005 1.00 60.81 O +ATOM 1419 N GLN A 212 61.116 65.402 -0.126 1.00 51.23 N +ATOM 1420 CA GLN A 212 59.690 65.113 -0.339 1.00 57.92 C +ATOM 1421 C GLN A 212 59.308 63.749 0.256 1.00 56.82 C +ATOM 1422 O GLN A 212 60.027 62.774 0.075 1.00 55.86 O +ATOM 1423 CB GLN A 212 59.346 65.163 -1.846 1.00 58.27 C +ATOM 1424 CG GLN A 212 59.417 66.580 -2.423 1.00 55.02 C +ATOM 1425 CD GLN A 212 59.067 66.654 -3.915 1.00 49.44 C +ATOM 1426 OE1 GLN A 212 59.001 65.684 -4.649 1.00 48.83 O +ATOM 1427 NE2 GLN A 212 58.849 67.836 -4.446 1.00 45.31 N +ATOM 1428 N ASN A 213 58.147 63.711 0.903 1.00 59.18 N +ATOM 1429 CA ASN A 213 57.581 62.465 1.416 1.00 65.18 C +ATOM 1430 C ASN A 213 57.316 61.453 0.286 1.00 61.21 C +ATOM 1431 O ASN A 213 56.920 61.832 -0.816 1.00 58.29 O +ATOM 1432 CB ASN A 213 56.284 62.776 2.200 1.00 63.54 C +ATOM 1433 CG ASN A 213 56.513 63.526 3.508 1.00 59.44 C +ATOM 1434 OD1 ASN A 213 57.591 63.553 4.070 1.00 57.22 O +ATOM 1435 ND2 ASN A 213 55.497 64.170 4.035 1.00 53.75 N +ATOM 1436 N GLY A 214 57.523 60.184 0.560 1.00 61.10 N +ATOM 1437 CA GLY A 214 57.161 59.092 -0.341 1.00 62.43 C +ATOM 1438 C GLY A 214 55.651 59.040 -0.609 1.00 62.15 C +ATOM 1439 O GLY A 214 54.855 59.407 0.252 1.00 60.43 O +ATOM 1440 N LYS A 215 55.265 58.619 -1.824 1.00 52.57 N +ATOM 1441 CA LYS A 215 53.850 58.480 -2.202 1.00 60.03 C +ATOM 1442 C LYS A 215 53.259 57.204 -1.594 1.00 58.37 C +ATOM 1443 O LYS A 215 53.902 56.165 -1.622 1.00 58.39 O +ATOM 1444 CB LYS A 215 53.692 58.453 -3.731 1.00 59.88 C +ATOM 1445 CG LYS A 215 54.071 59.780 -4.398 1.00 57.23 C +ATOM 1446 CD LYS A 215 53.876 59.688 -5.915 1.00 54.23 C +ATOM 1447 CE LYS A 215 54.263 61.007 -6.579 1.00 51.46 C +ATOM 1448 NZ LYS A 215 54.161 60.928 -8.052 1.00 45.47 N +ATOM 1449 N ASP A 216 52.022 57.321 -1.138 1.00 56.42 N +ATOM 1450 CA ASP A 216 51.267 56.172 -0.652 1.00 62.16 C +ATOM 1451 C ASP A 216 51.118 55.087 -1.727 1.00 58.91 C +ATOM 1452 O ASP A 216 50.962 55.369 -2.924 1.00 55.78 O +ATOM 1453 CB ASP A 216 49.870 56.620 -0.147 1.00 61.93 C +ATOM 1454 CG ASP A 216 49.928 57.594 1.036 1.00 59.74 C +ATOM 1455 OD1 ASP A 216 50.897 57.510 1.820 1.00 56.50 O +ATOM 1456 OD2 ASP A 216 49.018 58.443 1.119 1.00 53.74 O +ATOM 1457 N GLY A 217 51.175 53.831 -1.311 1.00 59.58 N +ATOM 1458 CA GLY A 217 50.960 52.682 -2.194 1.00 60.61 C +ATOM 1459 C GLY A 217 49.533 52.626 -2.752 1.00 60.05 C +ATOM 1460 O GLY A 217 48.576 52.986 -2.068 1.00 57.81 O +ATOM 1461 N LEU A 218 49.398 52.181 -4.004 1.00 52.92 N +ATOM 1462 CA LEU A 218 48.081 52.010 -4.636 1.00 59.15 C +ATOM 1463 C LEU A 218 47.318 50.824 -4.006 1.00 58.50 C +ATOM 1464 O LEU A 218 47.932 49.816 -3.670 1.00 59.20 O +ATOM 1465 CB LEU A 218 48.243 51.800 -6.146 1.00 58.64 C +ATOM 1466 CG LEU A 218 48.761 53.024 -6.926 1.00 54.66 C +ATOM 1467 CD1 LEU A 218 49.080 52.636 -8.362 1.00 52.63 C +ATOM 1468 CD2 LEU A 218 47.739 54.155 -6.960 1.00 51.06 C +ATOM 1469 N PRO A 219 45.983 50.898 -3.916 1.00 57.94 N +ATOM 1470 CA PRO A 219 45.158 49.784 -3.451 1.00 63.54 C +ATOM 1471 C PRO A 219 45.358 48.517 -4.298 1.00 60.48 C +ATOM 1472 O PRO A 219 45.480 48.590 -5.520 1.00 59.63 O +ATOM 1473 CB PRO A 219 43.697 50.269 -3.512 1.00 64.90 C +ATOM 1474 CG PRO A 219 43.803 51.789 -3.474 1.00 61.20 C +ATOM 1475 CD PRO A 219 45.119 52.076 -4.188 1.00 61.60 C +ATOM 1476 N GLY A 220 45.399 47.377 -3.651 1.00 59.72 N +ATOM 1477 CA GLY A 220 45.458 46.080 -4.322 1.00 61.44 C +ATOM 1478 C GLY A 220 44.220 45.815 -5.193 1.00 61.07 C +ATOM 1479 O GLY A 220 43.119 46.249 -4.862 1.00 60.03 O +ATOM 1480 N LYS A 221 44.412 45.122 -6.320 1.00 54.99 N +ATOM 1481 CA LYS A 221 43.301 44.686 -7.179 1.00 61.22 C +ATOM 1482 C LYS A 221 42.600 43.475 -6.558 1.00 60.79 C +ATOM 1483 O LYS A 221 43.271 42.597 -6.037 1.00 60.53 O +ATOM 1484 CB LYS A 221 43.790 44.349 -8.592 1.00 59.68 C +ATOM 1485 CG LYS A 221 44.299 45.574 -9.346 1.00 56.12 C +ATOM 1486 CD LYS A 221 44.753 45.197 -10.764 1.00 53.02 C +ATOM 1487 CE LYS A 221 45.273 46.433 -11.492 1.00 49.98 C +ATOM 1488 NZ LYS A 221 45.790 46.109 -12.828 1.00 44.65 N +ATOM 1489 N ASP A 222 41.277 43.410 -6.714 1.00 57.81 N +ATOM 1490 CA ASP A 222 40.465 42.282 -6.264 1.00 63.25 C +ATOM 1491 C ASP A 222 40.985 40.940 -6.813 1.00 60.40 C +ATOM 1492 O ASP A 222 41.374 40.819 -7.978 1.00 57.71 O +ATOM 1493 CB ASP A 222 38.986 42.484 -6.664 1.00 62.78 C +ATOM 1494 CG ASP A 222 38.351 43.721 -6.024 1.00 59.97 C +ATOM 1495 OD1 ASP A 222 38.766 44.079 -4.900 1.00 57.28 O +ATOM 1496 OD2 ASP A 222 37.485 44.324 -6.688 1.00 54.90 O +ATOM 1497 N GLY A 223 41.047 39.953 -5.956 1.00 62.94 N +ATOM 1498 CA GLY A 223 41.532 38.613 -6.288 1.00 63.59 C +ATOM 1499 C GLY A 223 40.631 37.903 -7.302 1.00 63.33 C +ATOM 1500 O GLY A 223 39.410 37.964 -7.213 1.00 61.66 O +ATOM 1501 N LYS A 224 41.256 37.219 -8.271 1.00 57.18 N +ATOM 1502 CA LYS A 224 40.542 36.272 -9.137 1.00 62.14 C +ATOM 1503 C LYS A 224 40.291 34.967 -8.379 1.00 61.38 C +ATOM 1504 O LYS A 224 41.139 34.543 -7.599 1.00 60.50 O +ATOM 1505 CB LYS A 224 41.336 35.998 -10.422 1.00 60.27 C +ATOM 1506 CG LYS A 224 41.433 37.233 -11.330 1.00 56.12 C +ATOM 1507 CD LYS A 224 42.183 36.881 -12.618 1.00 54.03 C +ATOM 1508 CE LYS A 224 42.288 38.102 -13.534 1.00 50.35 C +ATOM 1509 NZ LYS A 224 43.024 37.783 -14.769 1.00 45.27 N +ATOM 1510 N ASP A 225 39.158 34.320 -8.657 1.00 64.72 N +ATOM 1511 CA ASP A 225 38.785 33.032 -8.064 1.00 68.79 C +ATOM 1512 C ASP A 225 39.925 32.003 -8.155 1.00 66.91 C +ATOM 1513 O ASP A 225 40.522 31.789 -9.208 1.00 63.07 O +ATOM 1514 CB ASP A 225 37.513 32.479 -8.743 1.00 66.77 C +ATOM 1515 CG ASP A 225 36.275 33.331 -8.470 1.00 63.35 C +ATOM 1516 OD1 ASP A 225 36.184 33.871 -7.347 1.00 60.08 O +ATOM 1517 OD2 ASP A 225 35.438 33.429 -9.394 1.00 58.00 O +ATOM 1518 N GLY A 226 40.256 31.414 -7.006 1.00 63.65 N +ATOM 1519 CA GLY A 226 41.428 30.566 -6.845 1.00 63.94 C +ATOM 1520 C GLY A 226 41.315 29.212 -7.543 1.00 64.03 C +ATOM 1521 O GLY A 226 40.338 28.489 -7.366 1.00 62.03 O +ATOM 1522 N GLN A 227 42.372 28.873 -8.293 1.00 58.44 N +ATOM 1523 CA GLN A 227 42.723 27.485 -8.592 1.00 62.81 C +ATOM 1524 C GLN A 227 43.498 26.897 -7.408 1.00 62.82 C +ATOM 1525 O GLN A 227 44.182 27.630 -6.698 1.00 60.85 O +ATOM 1526 CB GLN A 227 43.544 27.407 -9.888 1.00 60.93 C +ATOM 1527 CG GLN A 227 42.697 27.741 -11.131 1.00 56.94 C +ATOM 1528 CD GLN A 227 43.464 27.622 -12.441 1.00 53.05 C +ATOM 1529 OE1 GLN A 227 44.670 27.512 -12.510 1.00 51.54 O +ATOM 1530 NE2 GLN A 227 42.784 27.667 -13.559 1.00 48.07 N +ATOM 1531 N ASP A 228 43.388 25.584 -7.216 1.00 62.55 N +ATOM 1532 CA ASP A 228 43.979 24.867 -6.081 1.00 67.38 C +ATOM 1533 C ASP A 228 45.471 25.202 -5.906 1.00 65.73 C +ATOM 1534 O ASP A 228 46.285 25.072 -6.818 1.00 61.74 O +ATOM 1535 CB ASP A 228 43.788 23.347 -6.266 1.00 65.38 C +ATOM 1536 CG ASP A 228 42.314 22.932 -6.261 1.00 61.78 C +ATOM 1537 OD1 ASP A 228 41.525 23.517 -5.478 1.00 59.35 O +ATOM 1538 OD2 ASP A 228 41.964 22.045 -7.070 1.00 57.19 O +ATOM 1539 N GLY A 229 45.823 25.669 -4.708 1.00 62.51 N +ATOM 1540 CA GLY A 229 47.168 26.134 -4.389 1.00 63.18 C +ATOM 1541 C GLY A 229 48.177 24.991 -4.293 1.00 62.43 C +ATOM 1542 O GLY A 229 47.943 24.005 -3.601 1.00 60.28 O +ATOM 1543 N LYS A 230 49.314 25.159 -4.991 1.00 58.35 N +ATOM 1544 CA LYS A 230 50.532 24.389 -4.689 1.00 64.84 C +ATOM 1545 C LYS A 230 51.209 24.986 -3.453 1.00 64.78 C +ATOM 1546 O LYS A 230 51.142 26.193 -3.261 1.00 63.79 O +ATOM 1547 CB LYS A 230 51.490 24.398 -5.890 1.00 62.71 C +ATOM 1548 CG LYS A 230 50.921 23.623 -7.087 1.00 58.56 C +ATOM 1549 CD LYS A 230 51.914 23.615 -8.251 1.00 56.32 C +ATOM 1550 CE LYS A 230 51.323 22.853 -9.432 1.00 52.50 C +ATOM 1551 NZ LYS A 230 52.227 22.862 -10.602 1.00 46.74 N +ATOM 1552 N ASP A 231 51.881 24.133 -2.675 1.00 60.00 N +ATOM 1553 CA ASP A 231 52.603 24.544 -1.466 1.00 65.29 C +ATOM 1554 C ASP A 231 53.506 25.756 -1.729 1.00 63.02 C +ATOM 1555 O ASP A 231 54.252 25.810 -2.718 1.00 58.89 O +ATOM 1556 CB ASP A 231 53.427 23.371 -0.913 1.00 64.20 C +ATOM 1557 CG ASP A 231 52.567 22.194 -0.450 1.00 61.58 C +ATOM 1558 OD1 ASP A 231 51.444 22.445 0.042 1.00 58.90 O +ATOM 1559 OD2 ASP A 231 53.028 21.046 -0.626 1.00 56.76 O +ATOM 1560 N GLY A 232 53.404 26.748 -0.854 1.00 63.68 N +ATOM 1561 CA GLY A 232 54.174 27.982 -0.981 1.00 64.32 C +ATOM 1562 C GLY A 232 55.681 27.743 -0.838 1.00 63.57 C +ATOM 1563 O GLY A 232 56.116 27.002 0.037 1.00 60.98 O +ATOM 1564 N LEU A 233 56.454 28.387 -1.702 1.00 59.11 N +ATOM 1565 CA LEU A 233 57.913 28.384 -1.581 1.00 64.69 C +ATOM 1566 C LEU A 233 58.348 29.239 -0.371 1.00 64.80 C +ATOM 1567 O LEU A 233 57.690 30.243 -0.080 1.00 64.12 O +ATOM 1568 CB LEU A 233 58.557 28.903 -2.879 1.00 62.89 C +ATOM 1569 CG LEU A 233 58.388 27.975 -4.098 1.00 58.46 C +ATOM 1570 CD1 LEU A 233 58.873 28.694 -5.356 1.00 55.86 C +ATOM 1571 CD2 LEU A 233 59.181 26.684 -3.955 1.00 54.60 C +ATOM 1572 N PRO A 234 59.469 28.884 0.292 1.00 63.00 N +ATOM 1573 CA PRO A 234 60.021 29.704 1.372 1.00 68.82 C +ATOM 1574 C PRO A 234 60.270 31.150 0.918 1.00 66.58 C +ATOM 1575 O PRO A 234 60.706 31.393 -0.207 1.00 63.74 O +ATOM 1576 CB PRO A 234 61.330 29.027 1.800 1.00 68.70 C +ATOM 1577 CG PRO A 234 61.145 27.575 1.359 1.00 63.86 C +ATOM 1578 CD PRO A 234 60.285 27.680 0.107 1.00 64.26 C +ATOM 1579 N GLY A 235 59.990 32.103 1.791 1.00 69.34 N +ATOM 1580 CA GLY A 235 60.278 33.513 1.532 1.00 70.82 C +ATOM 1581 C GLY A 235 61.770 33.738 1.270 1.00 70.38 C +ATOM 1582 O GLY A 235 62.609 33.064 1.857 1.00 68.43 O +ATOM 1583 N LYS A 236 62.097 34.675 0.360 1.00 66.07 N +ATOM 1584 CA LYS A 236 63.497 35.058 0.105 1.00 71.54 C +ATOM 1585 C LYS A 236 64.002 35.941 1.242 1.00 71.96 C +ATOM 1586 O LYS A 236 63.279 36.818 1.694 1.00 70.47 O +ATOM 1587 CB LYS A 236 63.632 35.797 -1.235 1.00 67.96 C +ATOM 1588 CG LYS A 236 63.335 34.886 -2.430 1.00 63.54 C +ATOM 1589 CD LYS A 236 63.532 35.635 -3.750 1.00 60.23 C +ATOM 1590 CE LYS A 236 63.230 34.714 -4.933 1.00 56.55 C +ATOM 1591 NZ LYS A 236 63.377 35.420 -6.227 1.00 49.75 N +ATOM 1592 N ASP A 237 65.267 35.729 1.623 1.00 68.24 N +ATOM 1593 CA ASP A 237 65.939 36.579 2.604 1.00 73.09 C +ATOM 1594 C ASP A 237 65.920 38.047 2.169 1.00 71.01 C +ATOM 1595 O ASP A 237 66.000 38.368 0.976 1.00 65.43 O +ATOM 1596 CB ASP A 237 67.384 36.081 2.831 1.00 70.07 C +ATOM 1597 CG ASP A 237 67.445 34.660 3.393 1.00 66.30 C +ATOM 1598 OD1 ASP A 237 66.526 34.282 4.149 1.00 62.67 O +ATOM 1599 OD2 ASP A 237 68.399 33.935 3.023 1.00 60.49 O +ATOM 1600 N GLY A 238 65.764 38.937 3.129 1.00 75.00 N +ATOM 1601 CA GLY A 238 65.802 40.380 2.891 1.00 74.76 C +ATOM 1602 C GLY A 238 67.138 40.809 2.273 1.00 73.94 C +ATOM 1603 O GLY A 238 68.182 40.226 2.559 1.00 71.23 O +ATOM 1604 N LYS A 239 67.119 41.823 1.402 1.00 73.46 N +ATOM 1605 CA LYS A 239 68.351 42.362 0.809 1.00 76.81 C +ATOM 1606 C LYS A 239 69.154 43.114 1.866 1.00 76.88 C +ATOM 1607 O LYS A 239 68.593 43.910 2.610 1.00 75.50 O +ATOM 1608 CB LYS A 239 68.038 43.296 -0.366 1.00 72.78 C +ATOM 1609 CG LYS A 239 67.430 42.571 -1.579 1.00 67.28 C +ATOM 1610 CD LYS A 239 67.167 43.581 -2.681 1.00 64.34 C +ATOM 1611 CE LYS A 239 66.522 42.950 -3.915 1.00 59.59 C +ATOM 1612 NZ LYS A 239 66.167 43.991 -4.916 1.00 53.26 N +ATOM 1613 N ASP A 240 70.462 42.894 1.844 1.00 73.92 N +ATOM 1614 CA ASP A 240 71.371 43.663 2.689 1.00 76.57 C +ATOM 1615 C ASP A 240 71.264 45.165 2.393 1.00 75.20 C +ATOM 1616 O ASP A 240 71.088 45.587 1.243 1.00 69.64 O +ATOM 1617 CB ASP A 240 72.822 43.180 2.490 1.00 73.09 C +ATOM 1618 CG ASP A 240 73.065 41.744 2.956 1.00 69.28 C +ATOM 1619 OD1 ASP A 240 72.372 41.324 3.905 1.00 65.86 O +ATOM 1620 OD2 ASP A 240 73.946 41.097 2.363 1.00 63.13 O +ATOM 1621 N GLY A 241 71.366 45.977 3.448 1.00 77.95 N +ATOM 1622 CA GLY A 241 71.393 47.434 3.311 1.00 77.12 C +ATOM 1623 C GLY A 241 72.586 47.908 2.466 1.00 76.67 C +ATOM 1624 O GLY A 241 73.658 47.314 2.507 1.00 74.02 O +ATOM 1625 N LEU A 242 72.382 48.970 1.701 1.00 73.24 N +ATOM 1626 CA LEU A 242 73.458 49.534 0.876 1.00 76.16 C +ATOM 1627 C LEU A 242 74.603 50.061 1.757 1.00 76.14 C +ATOM 1628 O LEU A 242 74.342 50.692 2.790 1.00 74.90 O +ATOM 1629 CB LEU A 242 72.908 50.649 -0.035 1.00 73.20 C +ATOM 1630 CG LEU A 242 71.943 50.170 -1.136 1.00 67.67 C +ATOM 1631 CD1 LEU A 242 71.318 51.370 -1.829 1.00 63.78 C +ATOM 1632 CD2 LEU A 242 72.633 49.316 -2.185 1.00 62.84 C +ATOM 1633 N PRO A 243 75.882 49.867 1.355 1.00 72.62 N +ATOM 1634 CA PRO A 243 77.017 50.449 2.062 1.00 75.43 C +ATOM 1635 C PRO A 243 76.935 51.976 2.105 1.00 74.06 C +ATOM 1636 O PRO A 243 76.546 52.618 1.122 1.00 70.96 O +ATOM 1637 CB PRO A 243 78.274 49.980 1.312 1.00 73.46 C +ATOM 1638 CG PRO A 243 77.816 48.724 0.571 1.00 69.00 C +ATOM 1639 CD PRO A 243 76.359 49.007 0.266 1.00 70.72 C +ATOM 1640 N GLY A 244 77.318 52.563 3.219 1.00 78.61 N +ATOM 1641 CA GLY A 244 77.450 54.016 3.314 1.00 77.74 C +ATOM 1642 C GLY A 244 78.467 54.556 2.296 1.00 76.77 C +ATOM 1643 O GLY A 244 79.456 53.892 1.997 1.00 74.91 O +ATOM 1644 N LYS A 245 78.202 55.755 1.756 1.00 77.08 N +ATOM 1645 CA LYS A 245 79.132 56.393 0.802 1.00 78.52 C +ATOM 1646 C LYS A 245 80.422 56.786 1.520 1.00 79.17 C +ATOM 1647 O LYS A 245 80.373 57.379 2.591 1.00 77.64 O +ATOM 1648 CB LYS A 245 78.479 57.624 0.141 1.00 74.11 C +ATOM 1649 CG LYS A 245 77.331 57.236 -0.801 1.00 67.59 C +ATOM 1650 CD LYS A 245 76.592 58.455 -1.355 1.00 65.09 C +ATOM 1651 CE LYS A 245 75.401 57.997 -2.210 1.00 60.26 C +ATOM 1652 NZ LYS A 245 74.352 59.028 -2.355 1.00 53.78 N +ATOM 1653 N ASP A 246 81.573 56.504 0.870 1.00 76.14 N +ATOM 1654 CA ASP A 246 82.880 56.885 1.393 1.00 77.48 C +ATOM 1655 C ASP A 246 82.983 58.408 1.574 1.00 75.83 C +ATOM 1656 O ASP A 246 82.471 59.199 0.774 1.00 71.44 O +ATOM 1657 CB ASP A 246 84.005 56.370 0.476 1.00 73.95 C +ATOM 1658 CG ASP A 246 84.102 54.845 0.431 1.00 68.82 C +ATOM 1659 OD1 ASP A 246 83.778 54.215 1.456 1.00 65.63 O +ATOM 1660 OD2 ASP A 246 84.491 54.327 -0.633 1.00 63.35 O +ATOM 1661 N GLY A 247 83.659 58.835 2.639 1.00 80.12 N +ATOM 1662 CA GLY A 247 83.951 60.241 2.885 1.00 78.77 C +ATOM 1663 C GLY A 247 84.823 60.828 1.766 1.00 78.12 C +ATOM 1664 O GLY A 247 85.698 60.159 1.238 1.00 76.20 O +ATOM 1665 N LYS A 248 84.581 62.084 1.399 1.00 77.78 N +ATOM 1666 CA LYS A 248 85.402 62.764 0.380 1.00 79.02 C +ATOM 1667 C LYS A 248 86.827 62.976 0.898 1.00 79.79 C +ATOM 1668 O LYS A 248 87.001 63.452 2.017 1.00 78.58 O +ATOM 1669 CB LYS A 248 84.784 64.114 -0.024 1.00 74.44 C +ATOM 1670 CG LYS A 248 83.471 63.958 -0.794 1.00 67.21 C +ATOM 1671 CD LYS A 248 82.942 65.320 -1.217 1.00 64.71 C +ATOM 1672 CE LYS A 248 81.625 65.171 -1.992 1.00 60.54 C +ATOM 1673 NZ LYS A 248 81.089 66.485 -2.391 1.00 54.26 N +ATOM 1674 N ASP A 249 87.793 62.689 0.025 1.00 76.40 N +ATOM 1675 CA ASP A 249 89.203 62.931 0.328 1.00 78.58 C +ATOM 1676 C ASP A 249 89.454 64.397 0.713 1.00 76.40 C +ATOM 1677 O ASP A 249 88.926 65.336 0.105 1.00 71.89 O +ATOM 1678 CB ASP A 249 90.092 62.543 -0.871 1.00 75.18 C +ATOM 1679 CG ASP A 249 90.075 61.048 -1.180 1.00 70.01 C +ATOM 1680 OD1 ASP A 249 89.961 60.262 -0.216 1.00 66.59 O +ATOM 1681 OD2 ASP A 249 90.188 60.715 -2.374 1.00 64.19 O +ATOM 1682 N GLY A 250 90.319 64.605 1.720 1.00 79.55 N +ATOM 1683 CA GLY A 250 90.741 65.942 2.135 1.00 78.03 C +ATOM 1684 C GLY A 250 91.506 66.669 1.023 1.00 77.20 C +ATOM 1685 O GLY A 250 92.311 66.071 0.315 1.00 74.72 O +ATOM 1686 N GLN A 251 91.269 67.955 0.859 1.00 75.50 N +ATOM 1687 CA GLN A 251 91.980 68.755 -0.145 1.00 76.00 C +ATOM 1688 C GLN A 251 93.484 68.855 0.188 1.00 75.34 C +ATOM 1689 O GLN A 251 93.834 69.062 1.347 1.00 73.48 O +ATOM 1690 CB GLN A 251 91.380 70.158 -0.278 1.00 72.35 C +ATOM 1691 CG GLN A 251 89.990 70.154 -0.938 1.00 66.15 C +ATOM 1692 CD GLN A 251 89.456 71.553 -1.243 1.00 61.84 C +ATOM 1693 OE1 GLN A 251 89.996 72.574 -0.848 1.00 59.97 O +ATOM 1694 NE2 GLN A 251 88.366 71.664 -1.967 1.00 55.80 N +ATOM 1695 N PRO A 252 94.360 68.769 -0.843 1.00 72.61 N +ATOM 1696 CA PRO A 252 95.792 68.911 -0.635 1.00 75.45 C +ATOM 1697 C PRO A 252 96.143 70.289 -0.049 1.00 72.83 C +ATOM 1698 O PRO A 252 95.634 71.315 -0.508 1.00 69.01 O +ATOM 1699 CB PRO A 252 96.454 68.703 -1.997 1.00 73.31 C +ATOM 1700 CG PRO A 252 95.413 67.928 -2.807 1.00 67.68 C +ATOM 1701 CD PRO A 252 94.089 68.414 -2.243 1.00 69.31 C +ATOM 1702 N GLY A 253 97.062 70.303 0.915 1.00 76.62 N +ATOM 1703 CA GLY A 253 97.561 71.551 1.495 1.00 75.74 C +ATOM 1704 C GLY A 253 98.236 72.449 0.450 1.00 74.15 C +ATOM 1705 O GLY A 253 98.950 71.969 -0.416 1.00 71.66 O +ATOM 1706 N LYS A 254 98.012 73.760 0.530 1.00 71.17 N +ATOM 1707 CA LYS A 254 98.658 74.734 -0.365 1.00 74.93 C +ATOM 1708 C LYS A 254 100.169 74.778 -0.108 1.00 73.23 C +ATOM 1709 O LYS A 254 100.572 74.793 1.060 1.00 71.16 O +ATOM 1710 CB LYS A 254 98.050 76.134 -0.189 1.00 70.72 C +ATOM 1711 CG LYS A 254 96.608 76.219 -0.698 1.00 64.61 C +ATOM 1712 CD LYS A 254 96.040 77.630 -0.540 1.00 62.09 C +ATOM 1713 CE LYS A 254 94.589 77.684 -1.043 1.00 58.52 C +ATOM 1714 NZ LYS A 254 93.961 79.013 -0.818 1.00 52.24 N +ATOM 1715 N PRO A 255 101.052 74.859 -1.169 1.00 70.97 N +ATOM 1716 CA PRO A 255 102.501 74.935 -1.000 1.00 74.65 C +ATOM 1717 C PRO A 255 102.889 76.232 -0.279 1.00 70.41 C +ATOM 1718 O PRO A 255 102.331 77.301 -0.547 1.00 65.58 O +ATOM 1719 CB PRO A 255 103.093 74.820 -2.406 1.00 73.12 C +ATOM 1720 CG PRO A 255 101.967 75.271 -3.322 1.00 67.35 C +ATOM 1721 CD PRO A 255 100.695 74.874 -2.590 1.00 68.85 C +ATOM 1722 N GLY A 256 103.834 76.076 0.616 1.00 68.82 N +ATOM 1723 CA GLY A 256 104.373 77.218 1.360 1.00 68.52 C +ATOM 1724 C GLY A 256 105.027 78.244 0.429 1.00 63.38 C +ATOM 1725 O GLY A 256 105.688 77.876 -0.535 1.00 60.19 O +ATOM 1726 N LYS A 257 104.873 79.560 0.705 1.00 64.99 N +ATOM 1727 CA LYS A 257 105.610 80.658 0.061 1.00 69.98 C +ATOM 1728 C LYS A 257 106.977 80.793 0.723 1.00 64.63 C +ATOM 1729 O LYS A 257 107.049 80.746 1.949 1.00 59.92 O +ATOM 1730 CB LYS A 257 104.827 81.976 0.129 1.00 65.79 C +ATOM 1731 CG LYS A 257 103.586 81.976 -0.757 1.00 58.40 C +ATOM 1732 CD LYS A 257 102.907 83.356 -0.735 1.00 55.43 C +ATOM 1733 CE LYS A 257 101.702 83.395 -1.706 1.00 53.39 C +ATOM 1734 NZ LYS A 257 101.096 84.733 -1.758 1.00 46.95 N +ATOM 1735 N TYR A 258 108.053 80.975 -0.150 1.00 72.09 N +ATOM 1736 CA TYR A 258 109.420 81.294 0.251 1.00 73.01 C +ATOM 1737 C TYR A 258 109.506 82.659 0.920 1.00 63.04 C +ATOM 1738 O TYR A 258 108.729 83.561 0.528 1.00 55.82 O +ATOM 1739 CB TYR A 258 110.335 81.270 -0.987 1.00 66.13 C +ATOM 1740 CG TYR A 258 110.667 79.874 -1.491 1.00 57.53 C +ATOM 1741 CD1 TYR A 258 111.767 79.191 -0.956 1.00 53.20 C +ATOM 1742 CD2 TYR A 258 109.902 79.271 -2.507 1.00 52.28 C +ATOM 1743 CE1 TYR A 258 112.105 77.919 -1.418 1.00 47.99 C +ATOM 1744 CE2 TYR A 258 110.223 77.986 -2.963 1.00 57.68 C +ATOM 1745 CZ TYR A 258 111.337 77.306 -2.428 1.00 50.42 C +ATOM 1746 OH TYR A 258 111.650 76.073 -2.871 1.00 52.14 O +ATOM 1747 OXT TYR A 258 110.392 82.742 1.808 1.00 50.07 O +TER 1748 TYR A 258 +END diff --git a/protein_pdb_453.txt b/protein_pdb_453.txt new file mode 100644 index 0000000000000000000000000000000000000000..0fc51f765a610e5edfdcd1aa2f64f2663690df44 --- /dev/null +++ b/protein_pdb_453.txt @@ -0,0 +1,1747 @@ +ATOM 1 N GLY A 1 30.955 -79.407 -13.755 1.00 52.70 N +ATOM 2 CA GLY A 1 30.570 -78.235 -12.940 1.00 59.99 C +ATOM 3 C GLY A 1 29.734 -77.333 -13.814 1.00 58.15 C +ATOM 4 O GLY A 1 30.074 -77.187 -14.983 1.00 55.77 O +ATOM 5 N GLN A 2 28.617 -76.839 -13.301 1.00 62.82 N +ATOM 6 CA GLN A 2 27.831 -75.814 -13.990 1.00 67.83 C +ATOM 7 C GLN A 2 28.312 -74.451 -13.491 1.00 65.83 C +ATOM 8 O GLN A 2 28.306 -74.215 -12.286 1.00 61.76 O +ATOM 9 CB GLN A 2 26.329 -76.007 -13.712 1.00 64.72 C +ATOM 10 CG GLN A 2 25.746 -77.218 -14.453 1.00 57.57 C +ATOM 11 CD GLN A 2 24.252 -77.439 -14.169 1.00 52.61 C +ATOM 12 OE1 GLN A 2 23.602 -76.721 -13.433 1.00 50.74 O +ATOM 13 NE2 GLN A 2 23.646 -78.460 -14.730 1.00 47.49 N +ATOM 14 N ASP A 3 28.751 -73.607 -14.432 1.00 63.09 N +ATOM 15 CA ASP A 3 29.148 -72.236 -14.118 1.00 68.89 C +ATOM 16 C ASP A 3 27.930 -71.443 -13.644 1.00 66.04 C +ATOM 17 O ASP A 3 26.904 -71.349 -14.339 1.00 60.66 O +ATOM 18 CB ASP A 3 29.817 -71.587 -15.338 1.00 65.08 C +ATOM 19 CG ASP A 3 31.143 -72.254 -15.710 1.00 57.61 C +ATOM 20 OD1 ASP A 3 31.893 -72.635 -14.776 1.00 54.19 O +ATOM 21 OD2 ASP A 3 31.389 -72.418 -16.925 1.00 52.32 O +ATOM 22 N GLY A 4 28.025 -70.897 -12.457 1.00 60.68 N +ATOM 23 CA GLY A 4 26.997 -70.041 -11.884 1.00 62.96 C +ATOM 24 C GLY A 4 26.820 -68.774 -12.724 1.00 61.72 C +ATOM 25 O GLY A 4 27.776 -68.052 -12.974 1.00 59.22 O +ATOM 26 N ARG A 5 25.600 -68.509 -13.171 1.00 60.49 N +ATOM 27 CA ARG A 5 25.257 -67.251 -13.855 1.00 67.81 C +ATOM 28 C ARG A 5 25.373 -66.099 -12.863 1.00 65.34 C +ATOM 29 O ARG A 5 24.799 -66.158 -11.782 1.00 63.97 O +ATOM 30 CB ARG A 5 23.849 -67.320 -14.457 1.00 65.19 C +ATOM 31 CG ARG A 5 23.747 -68.324 -15.626 1.00 57.88 C +ATOM 32 CD ARG A 5 22.327 -68.325 -16.211 1.00 54.95 C +ATOM 33 NE ARG A 5 22.184 -69.285 -17.322 1.00 51.87 N +ATOM 34 CZ ARG A 5 21.087 -69.528 -18.014 1.00 45.99 C +ATOM 35 NH1 ARG A 5 19.960 -68.910 -17.759 1.00 46.56 N +ATOM 36 NH2 ARG A 5 21.090 -70.397 -18.983 1.00 45.83 N +ATOM 37 N ASN A 6 26.104 -65.055 -13.253 1.00 63.68 N +ATOM 38 CA ASN A 6 26.127 -63.802 -12.496 1.00 69.62 C +ATOM 39 C ASN A 6 24.699 -63.260 -12.342 1.00 66.57 C +ATOM 40 O ASN A 6 23.954 -63.195 -13.319 1.00 61.83 O +ATOM 41 CB ASN A 6 27.033 -62.777 -13.200 1.00 65.36 C +ATOM 42 CG ASN A 6 28.517 -63.022 -12.993 1.00 59.35 C +ATOM 43 OD1 ASN A 6 28.945 -63.639 -12.033 1.00 56.08 O +ATOM 44 ND2 ASN A 6 29.363 -62.523 -13.861 1.00 53.38 N +ATOM 45 N GLY A 7 24.329 -62.870 -11.146 1.00 62.16 N +ATOM 46 CA GLY A 7 23.031 -62.285 -10.850 1.00 63.93 C +ATOM 47 C GLY A 7 22.783 -61.012 -11.659 1.00 63.94 C +ATOM 48 O GLY A 7 23.702 -60.209 -11.869 1.00 61.48 O +ATOM 49 N GLU A 8 21.563 -60.835 -12.125 1.00 56.34 N +ATOM 50 CA GLU A 8 21.154 -59.652 -12.880 1.00 63.01 C +ATOM 51 C GLU A 8 21.261 -58.392 -12.009 1.00 61.00 C +ATOM 52 O GLU A 8 21.055 -58.402 -10.794 1.00 59.46 O +ATOM 53 CB GLU A 8 19.752 -59.821 -13.477 1.00 61.07 C +ATOM 54 CG GLU A 8 19.735 -60.904 -14.568 1.00 55.43 C +ATOM 55 CD GLU A 8 18.379 -61.032 -15.292 1.00 52.27 C +ATOM 56 OE1 GLU A 8 18.377 -61.682 -16.370 1.00 50.10 O +ATOM 57 OE2 GLU A 8 17.374 -60.518 -14.762 1.00 49.14 O +ATOM 58 N ARG A 9 21.641 -57.271 -12.648 1.00 65.48 N +ATOM 59 CA ARG A 9 21.820 -55.980 -11.993 1.00 70.75 C +ATOM 60 C ARG A 9 20.453 -55.416 -11.594 1.00 67.16 C +ATOM 61 O ARG A 9 19.605 -55.255 -12.460 1.00 61.96 O +ATOM 62 CB ARG A 9 22.558 -55.063 -12.977 1.00 67.24 C +ATOM 63 CG ARG A 9 23.012 -53.750 -12.361 1.00 62.24 C +ATOM 64 CD ARG A 9 23.738 -52.941 -13.447 1.00 61.25 C +ATOM 65 NE ARG A 9 24.772 -52.069 -12.885 1.00 58.16 N +ATOM 66 CZ ARG A 9 25.677 -51.395 -13.574 1.00 52.62 C +ATOM 67 NH1 ARG A 9 25.663 -51.346 -14.875 1.00 52.73 N +ATOM 68 NH2 ARG A 9 26.628 -50.767 -12.952 1.00 51.76 N +ATOM 69 N GLY A 10 20.271 -55.085 -10.333 1.00 61.18 N +ATOM 70 CA GLY A 10 19.016 -54.510 -9.844 1.00 62.35 C +ATOM 71 C GLY A 10 18.600 -53.244 -10.603 1.00 61.64 C +ATOM 72 O GLY A 10 19.461 -52.445 -10.997 1.00 59.91 O +ATOM 73 N GLU A 11 17.296 -53.095 -10.826 1.00 56.06 N +ATOM 74 CA GLU A 11 16.704 -51.952 -11.525 1.00 62.07 C +ATOM 75 C GLU A 11 16.892 -50.640 -10.734 1.00 60.02 C +ATOM 76 O GLU A 11 16.939 -50.612 -9.503 1.00 58.76 O +ATOM 77 CB GLU A 11 15.225 -52.196 -11.838 1.00 60.65 C +ATOM 78 CG GLU A 11 15.014 -53.345 -12.846 1.00 55.55 C +ATOM 79 CD GLU A 11 13.552 -53.493 -13.302 1.00 53.00 C +ATOM 80 OE1 GLU A 11 13.347 -54.110 -14.372 1.00 50.52 O +ATOM 81 OE2 GLU A 11 12.653 -52.980 -12.603 1.00 49.14 O +ATOM 82 N GLN A 12 17.031 -49.517 -11.473 1.00 61.65 N +ATOM 83 CA GLN A 12 17.164 -48.196 -10.875 1.00 65.86 C +ATOM 84 C GLN A 12 15.828 -47.764 -10.258 1.00 63.16 C +ATOM 85 O GLN A 12 14.791 -47.837 -10.913 1.00 59.28 O +ATOM 86 CB GLN A 12 17.658 -47.215 -11.954 1.00 64.42 C +ATOM 87 CG GLN A 12 17.883 -45.796 -11.427 1.00 60.65 C +ATOM 88 CD GLN A 12 18.520 -44.856 -12.453 1.00 58.27 C +ATOM 89 OE1 GLN A 12 18.957 -45.233 -13.537 1.00 57.79 O +ATOM 90 NE2 GLN A 12 18.642 -43.588 -12.142 1.00 53.54 N +ATOM 91 N GLY A 13 15.851 -47.268 -9.025 1.00 59.75 N +ATOM 92 CA GLY A 13 14.647 -46.786 -8.350 1.00 61.08 C +ATOM 93 C GLY A 13 13.961 -45.634 -9.111 1.00 60.63 C +ATOM 94 O GLY A 13 14.634 -44.864 -9.798 1.00 58.83 O +ATOM 95 N PRO A 14 12.631 -45.512 -8.982 1.00 57.36 N +ATOM 96 CA PRO A 14 11.875 -44.461 -9.657 1.00 60.93 C +ATOM 97 C PRO A 14 12.300 -43.063 -9.178 1.00 59.23 C +ATOM 98 O PRO A 14 12.680 -42.861 -8.026 1.00 58.06 O +ATOM 99 CB PRO A 14 10.403 -44.752 -9.366 1.00 60.73 C +ATOM 100 CG PRO A 14 10.443 -45.502 -8.040 1.00 58.12 C +ATOM 101 CD PRO A 14 11.750 -46.311 -8.137 1.00 58.63 C +ATOM 102 N THR A 15 12.207 -42.077 -10.090 1.00 63.09 N +ATOM 103 CA THR A 15 12.445 -40.672 -9.747 1.00 66.34 C +ATOM 104 C THR A 15 11.329 -40.162 -8.827 1.00 63.55 C +ATOM 105 O THR A 15 10.159 -40.408 -9.102 1.00 60.46 O +ATOM 106 CB THR A 15 12.489 -39.802 -11.005 1.00 65.10 C +ATOM 107 OG1 THR A 15 13.392 -40.312 -11.959 1.00 60.82 O +ATOM 108 CG2 THR A 15 12.925 -38.370 -10.713 1.00 60.79 C +ATOM 109 N GLY A 16 11.686 -39.428 -7.789 1.00 59.57 N +ATOM 110 CA GLY A 16 10.705 -38.830 -6.874 1.00 60.81 C +ATOM 111 C GLY A 16 9.731 -37.866 -7.574 1.00 60.51 C +ATOM 112 O GLY A 16 10.081 -37.259 -8.592 1.00 59.00 O +ATOM 113 N PRO A 17 8.515 -37.713 -7.031 1.00 58.48 N +ATOM 114 CA PRO A 17 7.521 -36.795 -7.576 1.00 61.72 C +ATOM 115 C PRO A 17 8.007 -35.340 -7.505 1.00 59.83 C +ATOM 116 O PRO A 17 8.828 -34.960 -6.673 1.00 58.59 O +ATOM 117 CB PRO A 17 6.242 -37.026 -6.761 1.00 61.46 C +ATOM 118 CG PRO A 17 6.768 -37.514 -5.418 1.00 59.20 C +ATOM 119 CD PRO A 17 8.014 -38.323 -5.801 1.00 59.86 C +ATOM 120 N THR A 18 7.486 -34.508 -8.424 1.00 63.16 N +ATOM 121 CA THR A 18 7.730 -33.060 -8.378 1.00 66.24 C +ATOM 122 C THR A 18 7.000 -32.453 -7.182 1.00 63.56 C +ATOM 123 O THR A 18 5.826 -32.751 -6.980 1.00 60.48 O +ATOM 124 CB THR A 18 7.247 -32.380 -9.659 1.00 65.03 C +ATOM 125 OG1 THR A 18 7.769 -32.997 -10.815 1.00 61.42 O +ATOM 126 CG2 THR A 18 7.653 -30.909 -9.726 1.00 61.38 C +ATOM 127 N GLY A 19 7.663 -31.569 -6.439 1.00 60.45 N +ATOM 128 CA GLY A 19 7.034 -30.868 -5.317 1.00 61.94 C +ATOM 129 C GLY A 19 5.810 -30.033 -5.726 1.00 62.00 C +ATOM 130 O GLY A 19 5.729 -29.570 -6.872 1.00 60.71 O +ATOM 131 N PRO A 20 4.876 -29.819 -4.799 1.00 60.79 N +ATOM 132 CA PRO A 20 3.691 -29.016 -5.053 1.00 64.20 C +ATOM 133 C PRO A 20 4.065 -27.563 -5.378 1.00 62.37 C +ATOM 134 O PRO A 20 5.089 -27.038 -4.953 1.00 61.16 O +ATOM 135 CB PRO A 20 2.832 -29.125 -3.785 1.00 63.52 C +ATOM 136 CG PRO A 20 3.853 -29.405 -2.688 1.00 60.82 C +ATOM 137 CD PRO A 20 4.908 -30.256 -3.404 1.00 61.50 C +ATOM 138 N ALA A 21 3.197 -26.890 -6.158 1.00 66.27 N +ATOM 139 CA ALA A 21 3.343 -25.463 -6.388 1.00 70.43 C +ATOM 140 C ALA A 21 3.179 -24.681 -5.071 1.00 69.56 C +ATOM 141 O ALA A 21 2.347 -25.028 -4.239 1.00 65.54 O +ATOM 142 CB ALA A 21 2.326 -25.003 -7.444 1.00 67.90 C +ATOM 143 N GLY A 22 3.965 -23.617 -4.910 1.00 62.07 N +ATOM 144 CA GLY A 22 3.839 -22.738 -3.753 1.00 64.45 C +ATOM 145 C GLY A 22 2.443 -22.105 -3.649 1.00 64.84 C +ATOM 146 O GLY A 22 1.777 -21.906 -4.671 1.00 63.05 O +ATOM 147 N PRO A 23 2.014 -21.769 -2.428 1.00 61.98 N +ATOM 148 CA PRO A 23 0.725 -21.121 -2.226 1.00 65.79 C +ATOM 149 C PRO A 23 0.664 -19.784 -2.977 1.00 63.88 C +ATOM 150 O PRO A 23 1.662 -19.087 -3.152 1.00 61.72 O +ATOM 151 CB PRO A 23 0.575 -20.954 -0.711 1.00 64.33 C +ATOM 152 CG PRO A 23 2.014 -20.918 -0.214 1.00 61.48 C +ATOM 153 CD PRO A 23 2.741 -21.867 -1.174 1.00 62.15 C +ATOM 154 N ARG A 24 -0.550 -19.411 -3.415 1.00 62.68 N +ATOM 155 CA ARG A 24 -0.807 -18.122 -4.059 1.00 68.38 C +ATOM 156 C ARG A 24 -0.507 -16.981 -3.087 1.00 65.97 C +ATOM 157 O ARG A 24 -0.902 -17.051 -1.928 1.00 61.41 O +ATOM 158 CB ARG A 24 -2.270 -18.112 -4.532 1.00 66.21 C +ATOM 159 CG ARG A 24 -2.662 -16.868 -5.351 1.00 63.01 C +ATOM 160 CD ARG A 24 -4.123 -17.004 -5.783 1.00 62.92 C +ATOM 161 NE ARG A 24 -4.611 -15.861 -6.567 1.00 59.21 N +ATOM 162 CZ ARG A 24 -5.832 -15.711 -7.037 1.00 52.99 C +ATOM 163 NH1 ARG A 24 -6.759 -16.592 -6.850 1.00 53.21 N +ATOM 164 NH2 ARG A 24 -6.180 -14.646 -7.718 1.00 51.68 N +ATOM 165 N GLY A 25 0.174 -15.950 -3.583 1.00 61.57 N +ATOM 166 CA GLY A 25 0.415 -14.737 -2.802 1.00 63.36 C +ATOM 167 C GLY A 25 -0.896 -14.119 -2.297 1.00 63.90 C +ATOM 168 O GLY A 25 -1.926 -14.205 -2.971 1.00 61.14 O +ATOM 169 N LEU A 26 -0.845 -13.530 -1.106 1.00 61.60 N +ATOM 170 CA LEU A 26 -1.994 -12.824 -0.558 1.00 66.28 C +ATOM 171 C LEU A 26 -2.388 -11.672 -1.487 1.00 64.63 C +ATOM 172 O LEU A 26 -1.530 -10.986 -2.048 1.00 62.17 O +ATOM 173 CB LEU A 26 -1.708 -12.321 0.870 1.00 63.99 C +ATOM 174 CG LEU A 26 -1.496 -13.439 1.911 1.00 59.25 C +ATOM 175 CD1 LEU A 26 -1.107 -12.832 3.254 1.00 56.55 C +ATOM 176 CD2 LEU A 26 -2.754 -14.285 2.120 1.00 54.99 C +ATOM 177 N GLN A 27 -3.694 -11.472 -1.647 1.00 64.62 N +ATOM 178 CA GLN A 27 -4.222 -10.329 -2.385 1.00 68.83 C +ATOM 179 C GLN A 27 -3.797 -9.037 -1.678 1.00 66.75 C +ATOM 180 O GLN A 27 -3.936 -8.937 -0.460 1.00 62.64 O +ATOM 181 CB GLN A 27 -5.747 -10.477 -2.475 1.00 66.69 C +ATOM 182 CG GLN A 27 -6.429 -9.382 -3.310 1.00 63.07 C +ATOM 183 CD GLN A 27 -7.923 -9.626 -3.458 1.00 60.38 C +ATOM 184 OE1 GLN A 27 -8.469 -10.675 -3.138 1.00 58.53 O +ATOM 185 NE2 GLN A 27 -8.677 -8.682 -3.958 1.00 54.04 N +ATOM 186 N GLY A 28 -3.268 -8.076 -2.442 1.00 61.30 N +ATOM 187 CA GLY A 28 -2.941 -6.758 -1.909 1.00 63.12 C +ATOM 188 C GLY A 28 -4.153 -6.127 -1.225 1.00 62.91 C +ATOM 189 O GLY A 28 -5.284 -6.265 -1.704 1.00 60.37 O +ATOM 190 N LEU A 29 -3.912 -5.466 -0.094 1.00 61.71 N +ATOM 191 CA LEU A 29 -4.977 -4.750 0.605 1.00 66.36 C +ATOM 192 C LEU A 29 -5.536 -3.665 -0.320 1.00 64.91 C +ATOM 193 O LEU A 29 -4.801 -2.993 -1.043 1.00 62.64 O +ATOM 194 CB LEU A 29 -4.474 -4.161 1.930 1.00 63.72 C +ATOM 195 CG LEU A 29 -4.086 -5.211 2.988 1.00 59.65 C +ATOM 196 CD1 LEU A 29 -3.512 -4.518 4.231 1.00 57.30 C +ATOM 197 CD2 LEU A 29 -5.284 -6.057 3.441 1.00 55.20 C +ATOM 198 N GLN A 30 -6.861 -3.513 -0.299 1.00 65.30 N +ATOM 199 CA GLN A 30 -7.507 -2.431 -1.023 1.00 69.11 C +ATOM 200 C GLN A 30 -7.066 -1.089 -0.430 1.00 67.18 C +ATOM 201 O GLN A 30 -7.154 -0.904 0.781 1.00 62.75 O +ATOM 202 CB GLN A 30 -9.020 -2.663 -0.951 1.00 66.32 C +ATOM 203 CG GLN A 30 -9.782 -1.491 -1.551 1.00 62.39 C +ATOM 204 CD GLN A 30 -11.131 -1.901 -2.078 1.00 59.60 C +ATOM 205 OE1 GLN A 30 -11.909 -2.662 -1.524 1.00 57.56 O +ATOM 206 NE2 GLN A 30 -11.437 -1.400 -3.254 1.00 53.35 N +ATOM 207 N GLY A 31 -6.610 -0.174 -1.286 1.00 58.50 N +ATOM 208 CA GLY A 31 -6.301 1.188 -0.859 1.00 59.84 C +ATOM 209 C GLY A 31 -7.501 1.830 -0.154 1.00 60.22 C +ATOM 210 O GLY A 31 -8.643 1.634 -0.572 1.00 58.24 O +ATOM 211 N LEU A 32 -7.233 2.559 0.928 1.00 62.13 N +ATOM 212 CA LEU A 32 -8.277 3.290 1.636 1.00 66.07 C +ATOM 213 C LEU A 32 -8.919 4.309 0.688 1.00 65.00 C +ATOM 214 O LEU A 32 -8.243 4.950 -0.113 1.00 63.09 O +ATOM 215 CB LEU A 32 -7.728 3.962 2.906 1.00 63.80 C +ATOM 216 CG LEU A 32 -7.263 2.984 3.996 1.00 59.34 C +ATOM 217 CD1 LEU A 32 -6.649 3.754 5.171 1.00 56.78 C +ATOM 218 CD2 LEU A 32 -8.412 2.132 4.554 1.00 55.28 C +ATOM 219 N GLN A 33 -10.245 4.431 0.767 1.00 66.04 N +ATOM 220 CA GLN A 33 -10.959 5.448 0.015 1.00 69.43 C +ATOM 221 C GLN A 33 -10.514 6.831 0.490 1.00 67.88 C +ATOM 222 O GLN A 33 -10.524 7.090 1.689 1.00 64.00 O +ATOM 223 CB GLN A 33 -12.464 5.214 0.198 1.00 66.23 C +ATOM 224 CG GLN A 33 -13.313 6.179 -0.640 1.00 61.59 C +ATOM 225 CD GLN A 33 -14.790 5.771 -0.665 1.00 58.59 C +ATOM 226 OE1 GLN A 33 -15.297 4.989 0.123 1.00 56.95 O +ATOM 227 NE2 GLN A 33 -15.542 6.272 -1.598 1.00 52.97 N +ATOM 228 N GLY A 34 -10.123 7.695 -0.442 1.00 61.21 N +ATOM 229 CA GLY A 34 -9.782 9.073 -0.108 1.00 62.52 C +ATOM 230 C GLY A 34 -10.938 9.761 0.625 1.00 63.40 C +ATOM 231 O GLY A 34 -12.099 9.598 0.254 1.00 61.90 O +ATOM 232 N GLU A 35 -10.597 10.508 1.681 1.00 59.83 N +ATOM 233 CA GLU A 35 -11.604 11.296 2.399 1.00 65.24 C +ATOM 234 C GLU A 35 -12.241 12.319 1.456 1.00 64.42 C +ATOM 235 O GLU A 35 -11.587 12.914 0.587 1.00 63.60 O +ATOM 236 CB GLU A 35 -11.006 11.987 3.635 1.00 62.93 C +ATOM 237 CG GLU A 35 -10.580 10.971 4.724 1.00 58.43 C +ATOM 238 CD GLU A 35 -10.141 11.653 6.039 1.00 55.42 C +ATOM 239 OE1 GLU A 35 -10.149 10.944 7.072 1.00 52.67 O +ATOM 240 OE2 GLU A 35 -9.791 12.851 6.006 1.00 51.17 O +ATOM 241 N ARG A 36 -13.553 12.511 1.610 1.00 64.79 N +ATOM 242 CA ARG A 36 -14.272 13.538 0.862 1.00 69.09 C +ATOM 243 C ARG A 36 -13.713 14.909 1.237 1.00 67.99 C +ATOM 244 O ARG A 36 -13.627 15.223 2.417 1.00 63.95 O +ATOM 245 CB ARG A 36 -15.777 13.425 1.159 1.00 66.14 C +ATOM 246 CG ARG A 36 -16.620 14.403 0.319 1.00 61.28 C +ATOM 247 CD ARG A 36 -18.100 14.216 0.661 1.00 60.92 C +ATOM 248 NE ARG A 36 -18.959 15.046 -0.183 1.00 58.73 N +ATOM 249 CZ ARG A 36 -20.266 15.115 -0.132 1.00 53.40 C +ATOM 250 NH1 ARG A 36 -20.958 14.463 0.755 1.00 53.57 N +ATOM 251 NH2 ARG A 36 -20.927 15.853 -0.984 1.00 51.90 N +ATOM 252 N GLY A 37 -13.367 15.708 0.236 1.00 61.09 N +ATOM 253 CA GLY A 37 -12.946 17.088 0.485 1.00 61.65 C +ATOM 254 C GLY A 37 -13.978 17.840 1.330 1.00 62.91 C +ATOM 255 O GLY A 37 -15.185 17.693 1.124 1.00 61.40 O +ATOM 256 N GLU A 38 -13.483 18.618 2.308 1.00 59.36 N +ATOM 257 CA GLU A 38 -14.369 19.447 3.135 1.00 64.55 C +ATOM 258 C GLU A 38 -15.134 20.449 2.264 1.00 63.21 C +ATOM 259 O GLU A 38 -14.601 21.024 1.312 1.00 62.23 O +ATOM 260 CB GLU A 38 -13.582 20.162 4.249 1.00 62.36 C +ATOM 261 CG GLU A 38 -13.088 19.185 5.343 1.00 57.74 C +ATOM 262 CD GLU A 38 -12.327 19.881 6.492 1.00 55.21 C +ATOM 263 OE1 GLU A 38 -11.859 19.146 7.407 1.00 52.72 O +ATOM 264 OE2 GLU A 38 -12.153 21.115 6.460 1.00 51.59 O +ATOM 265 N GLN A 39 -16.411 20.645 2.598 1.00 65.56 N +ATOM 266 CA GLN A 39 -17.226 21.650 1.926 1.00 68.57 C +ATOM 267 C GLN A 39 -16.605 23.034 2.138 1.00 67.66 C +ATOM 268 O GLN A 39 -16.285 23.413 3.257 1.00 64.16 O +ATOM 269 CB GLN A 39 -18.666 21.569 2.465 1.00 66.61 C +ATOM 270 CG GLN A 39 -19.619 22.543 1.762 1.00 63.39 C +ATOM 271 CD GLN A 39 -21.069 22.368 2.193 1.00 60.95 C +ATOM 272 OE1 GLN A 39 -21.449 21.548 3.012 1.00 60.56 O +ATOM 273 NE2 GLN A 39 -21.974 23.137 1.641 1.00 56.66 N +ATOM 274 N GLY A 40 -16.426 23.766 1.054 1.00 58.38 N +ATOM 275 CA GLY A 40 -15.928 25.137 1.148 1.00 59.05 C +ATOM 276 C GLY A 40 -16.797 25.983 2.094 1.00 59.41 C +ATOM 277 O GLY A 40 -18.015 25.793 2.138 1.00 58.18 O +ATOM 278 N PRO A 41 -16.180 26.894 2.863 1.00 64.17 N +ATOM 279 CA PRO A 41 -16.939 27.755 3.761 1.00 67.23 C +ATOM 280 C PRO A 41 -17.966 28.574 2.967 1.00 66.24 C +ATOM 281 O PRO A 41 -17.705 29.022 1.850 1.00 64.96 O +ATOM 282 CB PRO A 41 -15.910 28.640 4.472 1.00 65.92 C +ATOM 283 CG PRO A 41 -14.746 28.688 3.480 1.00 63.73 C +ATOM 284 CD PRO A 41 -14.793 27.292 2.839 1.00 66.21 C +ATOM 285 N THR A 42 -19.135 28.767 3.575 1.00 65.98 N +ATOM 286 CA THR A 42 -20.147 29.665 3.009 1.00 68.24 C +ATOM 287 C THR A 42 -19.547 31.057 2.823 1.00 66.59 C +ATOM 288 O THR A 42 -18.962 31.602 3.759 1.00 63.27 O +ATOM 289 CB THR A 42 -21.372 29.752 3.934 1.00 66.56 C +ATOM 290 OG1 THR A 42 -21.898 28.457 4.173 1.00 62.43 O +ATOM 291 CG2 THR A 42 -22.502 30.596 3.373 1.00 62.76 C +ATOM 292 N GLY A 43 -19.678 31.598 1.632 1.00 58.96 N +ATOM 293 CA GLY A 43 -19.224 32.965 1.376 1.00 60.42 C +ATOM 294 C GLY A 43 -19.829 33.953 2.385 1.00 61.10 C +ATOM 295 O GLY A 43 -20.987 33.786 2.794 1.00 60.03 O +ATOM 296 N PRO A 44 -19.063 34.964 2.799 1.00 63.88 N +ATOM 297 CA PRO A 44 -19.584 35.976 3.703 1.00 67.10 C +ATOM 298 C PRO A 44 -20.813 36.659 3.082 1.00 65.78 C +ATOM 299 O PRO A 44 -20.907 36.816 1.864 1.00 64.63 O +ATOM 300 CB PRO A 44 -18.427 36.958 3.950 1.00 66.30 C +ATOM 301 CG PRO A 44 -17.573 36.811 2.692 1.00 64.48 C +ATOM 302 CD PRO A 44 -17.743 35.331 2.333 1.00 66.73 C +ATOM 303 N ALA A 45 -21.742 37.034 3.938 1.00 67.37 N +ATOM 304 CA ALA A 45 -22.845 37.855 3.474 1.00 70.11 C +ATOM 305 C ALA A 45 -22.296 39.153 2.853 1.00 69.36 C +ATOM 306 O ALA A 45 -21.384 39.756 3.417 1.00 65.97 O +ATOM 307 CB ALA A 45 -23.798 38.147 4.642 1.00 67.66 C +ATOM 308 N GLY A 46 -22.852 39.535 1.718 1.00 60.89 N +ATOM 309 CA GLY A 46 -22.468 40.800 1.103 1.00 62.36 C +ATOM 310 C GLY A 46 -22.628 41.966 2.091 1.00 62.62 C +ATOM 311 O GLY A 46 -23.550 41.946 2.918 1.00 60.82 O +ATOM 312 N PRO A 47 -21.723 42.955 2.034 1.00 62.56 N +ATOM 313 CA PRO A 47 -21.838 44.118 2.895 1.00 66.15 C +ATOM 314 C PRO A 47 -23.208 44.771 2.697 1.00 64.55 C +ATOM 315 O PRO A 47 -23.739 44.828 1.586 1.00 63.27 O +ATOM 316 CB PRO A 47 -20.667 45.040 2.527 1.00 65.30 C +ATOM 317 CG PRO A 47 -20.331 44.638 1.093 1.00 63.64 C +ATOM 318 CD PRO A 47 -20.648 43.145 1.063 1.00 66.04 C +ATOM 319 N ARG A 48 -23.780 45.230 3.800 1.00 62.18 N +ATOM 320 CA ARG A 48 -25.016 46.019 3.722 1.00 65.77 C +ATOM 321 C ARG A 48 -24.738 47.258 2.877 1.00 63.29 C +ATOM 322 O ARG A 48 -23.764 47.950 3.128 1.00 60.07 O +ATOM 323 CB ARG A 48 -25.484 46.370 5.140 1.00 64.04 C +ATOM 324 CG ARG A 48 -26.866 47.037 5.151 1.00 59.82 C +ATOM 325 CD ARG A 48 -27.316 47.291 6.592 1.00 60.83 C +ATOM 326 NE ARG A 48 -28.666 47.865 6.654 1.00 58.06 N +ATOM 327 CZ ARG A 48 -29.353 48.135 7.747 1.00 51.82 C +ATOM 328 NH1 ARG A 48 -28.864 47.922 8.941 1.00 52.05 N +ATOM 329 NH2 ARG A 48 -30.550 48.632 7.666 1.00 49.73 N +ATOM 330 N GLY A 49 -25.590 47.494 1.891 1.00 61.68 N +ATOM 331 CA GLY A 49 -25.477 48.706 1.087 1.00 61.98 C +ATOM 332 C GLY A 49 -25.337 49.944 1.981 1.00 62.04 C +ATOM 333 O GLY A 49 -26.008 50.046 3.012 1.00 59.61 O +ATOM 334 N LEU A 50 -24.414 50.818 1.604 1.00 60.74 N +ATOM 335 CA LEU A 50 -24.237 52.070 2.341 1.00 64.99 C +ATOM 336 C LEU A 50 -25.568 52.828 2.351 1.00 63.84 C +ATOM 337 O LEU A 50 -26.261 52.902 1.337 1.00 62.01 O +ATOM 338 CB LEU A 50 -23.105 52.910 1.729 1.00 63.57 C +ATOM 339 CG LEU A 50 -21.692 52.298 1.849 1.00 59.79 C +ATOM 340 CD1 LEU A 50 -20.674 53.168 1.114 1.00 57.90 C +ATOM 341 CD2 LEU A 50 -21.241 52.166 3.306 1.00 56.33 C +ATOM 342 N GLN A 51 -25.902 53.347 3.511 1.00 62.80 N +ATOM 343 CA GLN A 51 -27.052 54.247 3.598 1.00 65.30 C +ATOM 344 C GLN A 51 -26.793 55.440 2.680 1.00 62.26 C +ATOM 345 O GLN A 51 -25.739 56.069 2.774 1.00 58.76 O +ATOM 346 CB GLN A 51 -27.252 54.657 5.064 1.00 63.26 C +ATOM 347 CG GLN A 51 -28.484 55.559 5.264 1.00 59.28 C +ATOM 348 CD GLN A 51 -28.774 55.874 6.730 1.00 57.54 C +ATOM 349 OE1 GLN A 51 -28.168 55.381 7.663 1.00 57.08 O +ATOM 350 NE2 GLN A 51 -29.754 56.700 7.001 1.00 53.53 N +ATOM 351 N GLY A 52 -27.716 55.689 1.780 1.00 58.82 N +ATOM 352 CA GLY A 52 -27.607 56.867 0.917 1.00 59.62 C +ATOM 353 C GLY A 52 -27.368 58.129 1.756 1.00 60.32 C +ATOM 354 O GLY A 52 -27.987 58.286 2.815 1.00 58.14 O +ATOM 355 N GLU A 53 -26.441 58.956 1.304 1.00 53.84 N +ATOM 356 CA GLU A 53 -26.170 60.225 1.984 1.00 58.02 C +ATOM 357 C GLU A 53 -27.470 61.025 2.104 1.00 57.01 C +ATOM 358 O GLU A 53 -28.298 61.086 1.186 1.00 55.98 O +ATOM 359 CB GLU A 53 -25.075 61.026 1.273 1.00 57.07 C +ATOM 360 CG GLU A 53 -23.692 60.348 1.401 1.00 52.61 C +ATOM 361 CD GLU A 53 -22.530 61.205 0.859 1.00 50.27 C +ATOM 362 OE1 GLU A 53 -21.371 60.858 1.200 1.00 48.14 O +ATOM 363 OE2 GLU A 53 -22.794 62.150 0.103 1.00 47.07 O +ATOM 364 N ARG A 54 -27.668 61.573 3.283 1.00 56.75 N +ATOM 365 CA ARG A 54 -28.830 62.417 3.524 1.00 59.59 C +ATOM 366 C ARG A 54 -28.719 63.629 2.601 1.00 56.86 C +ATOM 367 O ARG A 54 -27.780 64.400 2.740 1.00 54.78 O +ATOM 368 CB ARG A 54 -28.869 62.810 5.013 1.00 58.59 C +ATOM 369 CG ARG A 54 -30.092 63.672 5.375 1.00 53.19 C +ATOM 370 CD ARG A 54 -30.081 63.969 6.875 1.00 54.54 C +ATOM 371 NE ARG A 54 -31.215 64.801 7.285 1.00 53.33 N +ATOM 372 CZ ARG A 54 -31.516 65.168 8.518 1.00 48.62 C +ATOM 373 NH1 ARG A 54 -30.789 64.810 9.536 1.00 49.20 N +ATOM 374 NH2 ARG A 54 -32.537 65.926 8.735 1.00 48.11 N +ATOM 375 N GLY A 55 -29.659 63.746 1.688 1.00 53.06 N +ATOM 376 CA GLY A 55 -29.724 64.941 0.857 1.00 53.75 C +ATOM 377 C GLY A 55 -29.692 66.201 1.723 1.00 53.91 C +ATOM 378 O GLY A 55 -30.290 66.218 2.809 1.00 52.24 O +ATOM 379 N GLU A 56 -28.972 67.216 1.258 1.00 46.67 N +ATOM 380 CA GLU A 56 -28.905 68.497 1.965 1.00 48.97 C +ATOM 381 C GLU A 56 -30.309 69.019 2.259 1.00 48.02 C +ATOM 382 O GLU A 56 -31.234 68.949 1.436 1.00 47.86 O +ATOM 383 CB GLU A 56 -28.093 69.541 1.188 1.00 49.06 C +ATOM 384 CG GLU A 56 -26.581 69.234 1.175 1.00 44.58 C +ATOM 385 CD GLU A 56 -25.738 70.443 0.698 1.00 42.47 C +ATOM 386 OE1 GLU A 56 -24.569 70.516 1.133 1.00 40.82 O +ATOM 387 OE2 GLU A 56 -26.289 71.276 -0.043 1.00 41.05 O +ATOM 388 N GLN A 57 -30.484 69.440 3.492 1.00 48.85 N +ATOM 389 CA GLN A 57 -31.788 69.833 3.995 1.00 49.87 C +ATOM 390 C GLN A 57 -32.235 71.154 3.355 1.00 48.36 C +ATOM 391 O GLN A 57 -31.957 72.228 3.868 1.00 47.75 O +ATOM 392 CB GLN A 57 -31.719 69.877 5.539 1.00 49.51 C +ATOM 393 CG GLN A 57 -33.077 70.163 6.192 1.00 45.20 C +ATOM 394 CD GLN A 57 -33.036 70.089 7.726 1.00 43.41 C +ATOM 395 OE1 GLN A 57 -32.101 69.620 8.357 1.00 44.10 O +ATOM 396 NE2 GLN A 57 -34.072 70.519 8.398 1.00 41.84 N +ATOM 397 N GLY A 58 -32.961 71.000 2.268 1.00 45.48 N +ATOM 398 CA GLY A 58 -33.876 72.070 1.892 1.00 47.09 C +ATOM 399 C GLY A 58 -34.973 72.226 2.956 1.00 46.54 C +ATOM 400 O GLY A 58 -35.350 71.236 3.588 1.00 45.52 O +ATOM 401 N PRO A 59 -35.501 73.430 3.174 1.00 44.58 N +ATOM 402 CA PRO A 59 -36.564 73.606 4.152 1.00 46.71 C +ATOM 403 C PRO A 59 -37.768 72.731 3.757 1.00 44.90 C +ATOM 404 O PRO A 59 -38.414 72.976 2.743 1.00 45.36 O +ATOM 405 CB PRO A 59 -36.857 75.115 4.174 1.00 48.00 C +ATOM 406 CG PRO A 59 -36.404 75.604 2.794 1.00 47.75 C +ATOM 407 CD PRO A 59 -35.251 74.655 2.447 1.00 49.45 C +ATOM 408 N THR A 60 -38.025 71.655 4.565 1.00 43.58 N +ATOM 409 CA THR A 60 -39.126 70.686 4.435 1.00 44.60 C +ATOM 410 C THR A 60 -39.034 69.690 3.264 1.00 42.98 C +ATOM 411 O THR A 60 -39.910 69.618 2.406 1.00 43.42 O +ATOM 412 CB THR A 60 -40.528 71.332 4.571 1.00 45.55 C +ATOM 413 OG1 THR A 60 -40.499 72.740 4.614 1.00 42.86 O +ATOM 414 CG2 THR A 60 -41.216 70.873 5.840 1.00 43.08 C +ATOM 415 N GLY A 61 -38.006 68.771 3.264 1.00 42.57 N +ATOM 416 CA GLY A 61 -37.949 67.565 2.428 1.00 43.65 C +ATOM 417 C GLY A 61 -37.873 66.293 3.279 1.00 43.25 C +ATOM 418 O GLY A 61 -37.108 66.239 4.241 1.00 42.27 O +ATOM 419 N LEU A 62 -38.701 65.259 2.963 1.00 43.85 N +ATOM 420 CA LEU A 62 -38.687 63.963 3.650 1.00 46.66 C +ATOM 421 C LEU A 62 -37.343 63.250 3.406 1.00 45.33 C +ATOM 422 O LEU A 62 -36.819 63.257 2.305 1.00 45.78 O +ATOM 423 CB LEU A 62 -39.871 63.106 3.164 1.00 46.62 C +ATOM 424 CG LEU A 62 -41.266 63.603 3.619 1.00 44.75 C +ATOM 425 CD1 LEU A 62 -42.367 62.866 2.856 1.00 43.67 C +ATOM 426 CD2 LEU A 62 -41.489 63.384 5.104 1.00 42.73 C +ATOM 427 N ALA A 63 -36.793 62.577 4.447 1.00 47.22 N +ATOM 428 CA ALA A 63 -35.573 61.785 4.331 1.00 48.88 C +ATOM 429 C ALA A 63 -35.778 60.613 3.353 1.00 47.69 C +ATOM 430 O ALA A 63 -36.783 59.901 3.430 1.00 47.57 O +ATOM 431 CB ALA A 63 -35.174 61.288 5.732 1.00 48.58 C +ATOM 432 N GLY A 64 -34.818 60.390 2.442 1.00 45.56 N +ATOM 433 CA GLY A 64 -34.822 59.245 1.534 1.00 46.99 C +ATOM 434 C GLY A 64 -34.821 57.918 2.296 1.00 46.81 C +ATOM 435 O GLY A 64 -34.221 57.806 3.365 1.00 45.98 O +ATOM 436 N LYS A 65 -35.519 56.885 1.743 1.00 47.63 N +ATOM 437 CA LYS A 65 -35.553 55.534 2.335 1.00 52.78 C +ATOM 438 C LYS A 65 -34.158 54.903 2.284 1.00 50.54 C +ATOM 439 O LYS A 65 -33.426 55.076 1.318 1.00 51.28 O +ATOM 440 CB LYS A 65 -36.586 54.653 1.621 1.00 53.17 C +ATOM 441 CG LYS A 65 -38.050 55.098 1.869 1.00 50.46 C +ATOM 442 CD LYS A 65 -39.001 54.158 1.131 1.00 49.65 C +ATOM 443 CE LYS A 65 -40.457 54.576 1.318 1.00 47.28 C +ATOM 444 NZ LYS A 65 -41.353 53.738 0.479 1.00 42.56 N +ATOM 445 N ALA A 66 -33.796 54.157 3.332 1.00 54.40 N +ATOM 446 CA ALA A 66 -32.555 53.382 3.338 1.00 56.92 C +ATOM 447 C ALA A 66 -32.615 52.273 2.271 1.00 55.53 C +ATOM 448 O ALA A 66 -33.640 51.608 2.151 1.00 53.95 O +ATOM 449 CB ALA A 66 -32.330 52.803 4.738 1.00 55.94 C +ATOM 450 N GLY A 67 -31.519 52.045 1.538 1.00 51.95 N +ATOM 451 CA GLY A 67 -31.415 50.960 0.566 1.00 54.13 C +ATOM 452 C GLY A 67 -31.564 49.586 1.222 1.00 54.45 C +ATOM 453 O GLY A 67 -31.151 49.388 2.369 1.00 52.80 O +ATOM 454 N GLU A 68 -32.162 48.625 0.495 1.00 48.19 N +ATOM 455 CA GLU A 68 -32.339 47.249 0.963 1.00 53.12 C +ATOM 456 C GLU A 68 -30.984 46.542 1.147 1.00 51.23 C +ATOM 457 O GLU A 68 -30.001 46.822 0.461 1.00 51.43 O +ATOM 458 CB GLU A 68 -33.287 46.453 0.048 1.00 53.63 C +ATOM 459 CG GLU A 68 -34.720 47.004 0.098 1.00 50.18 C +ATOM 460 CD GLU A 68 -35.769 46.102 -0.591 1.00 48.14 C +ATOM 461 OE1 GLU A 68 -36.967 46.280 -0.259 1.00 47.06 O +ATOM 462 OE2 GLU A 68 -35.373 45.237 -1.391 1.00 46.73 O +ATOM 463 N ALA A 69 -30.914 45.615 2.130 1.00 58.58 N +ATOM 464 CA ALA A 69 -29.707 44.829 2.365 1.00 61.70 C +ATOM 465 C ALA A 69 -29.486 43.840 1.211 1.00 60.08 C +ATOM 466 O ALA A 69 -30.419 43.161 0.800 1.00 57.81 O +ATOM 467 CB ALA A 69 -29.818 44.111 3.715 1.00 60.43 C +ATOM 468 N GLY A 70 -28.237 43.717 0.722 1.00 54.65 N +ATOM 469 CA GLY A 70 -27.889 42.745 -0.306 1.00 56.23 C +ATOM 470 C GLY A 70 -28.218 41.308 0.125 1.00 56.49 C +ATOM 471 O GLY A 70 -28.058 40.944 1.290 1.00 54.47 O +ATOM 472 N ALA A 71 -28.674 40.475 -0.838 1.00 55.08 N +ATOM 473 CA ALA A 71 -28.981 39.062 -0.603 1.00 59.61 C +ATOM 474 C ALA A 71 -27.734 38.301 -0.125 1.00 58.16 C +ATOM 475 O ALA A 71 -26.606 38.570 -0.542 1.00 56.70 O +ATOM 476 CB ALA A 71 -29.574 38.461 -1.878 1.00 58.54 C +ATOM 477 N LYS A 72 -27.927 37.301 0.786 1.00 59.64 N +ATOM 478 CA LYS A 72 -26.854 36.423 1.264 1.00 65.32 C +ATOM 479 C LYS A 72 -26.338 35.580 0.095 1.00 62.44 C +ATOM 480 O LYS A 72 -27.131 34.966 -0.607 1.00 60.24 O +ATOM 481 CB LYS A 72 -27.391 35.555 2.414 1.00 62.87 C +ATOM 482 CG LYS A 72 -26.312 34.660 3.039 1.00 59.45 C +ATOM 483 CD LYS A 72 -26.870 33.841 4.219 1.00 59.15 C +ATOM 484 CE LYS A 72 -25.775 32.937 4.780 1.00 56.29 C +ATOM 485 NZ LYS A 72 -26.267 32.062 5.868 1.00 50.97 N +ATOM 486 N GLY A 73 -25.017 35.519 -0.100 1.00 52.98 N +ATOM 487 CA GLY A 73 -24.398 34.662 -1.108 1.00 54.74 C +ATOM 488 C GLY A 73 -24.745 33.186 -0.889 1.00 55.18 C +ATOM 489 O GLY A 73 -24.841 32.727 0.250 1.00 53.25 O +ATOM 490 N GLU A 74 -24.934 32.435 -1.991 1.00 53.48 N +ATOM 491 CA GLU A 74 -25.210 30.997 -1.953 1.00 58.33 C +ATOM 492 C GLU A 74 -24.001 30.217 -1.428 1.00 56.49 C +ATOM 493 O GLU A 74 -22.839 30.582 -1.619 1.00 55.36 O +ATOM 494 CB GLU A 74 -25.651 30.483 -3.329 1.00 57.52 C +ATOM 495 CG GLU A 74 -27.002 31.082 -3.759 1.00 54.30 C +ATOM 496 CD GLU A 74 -27.564 30.464 -5.055 1.00 51.46 C +ATOM 497 OE1 GLU A 74 -28.777 30.651 -5.285 1.00 50.26 O +ATOM 498 OE2 GLU A 74 -26.789 29.816 -5.788 1.00 49.16 O +ATOM 499 N THR A 75 -24.280 29.102 -0.718 1.00 58.86 N +ATOM 500 CA THR A 75 -23.232 28.194 -0.246 1.00 61.12 C +ATOM 501 C THR A 75 -22.642 27.466 -1.444 1.00 58.71 C +ATOM 502 O THR A 75 -23.378 26.852 -2.206 1.00 56.84 O +ATOM 503 CB THR A 75 -23.802 27.194 0.768 1.00 60.92 C +ATOM 504 OG1 THR A 75 -24.369 27.890 1.857 1.00 58.17 O +ATOM 505 CG2 THR A 75 -22.750 26.245 1.345 1.00 57.45 C +ATOM 506 N GLY A 76 -21.308 27.484 -1.604 1.00 53.25 N +ATOM 507 CA GLY A 76 -20.626 26.754 -2.673 1.00 54.43 C +ATOM 508 C GLY A 76 -20.931 25.253 -2.635 1.00 54.31 C +ATOM 509 O GLY A 76 -21.134 24.691 -1.555 1.00 53.11 O +ATOM 510 N PRO A 77 -20.963 24.579 -3.806 1.00 54.89 N +ATOM 511 CA PRO A 77 -21.210 23.142 -3.884 1.00 57.92 C +ATOM 512 C PRO A 77 -20.127 22.372 -3.123 1.00 56.06 C +ATOM 513 O PRO A 77 -18.977 22.789 -3.004 1.00 55.28 O +ATOM 514 CB PRO A 77 -21.247 22.797 -5.378 1.00 58.00 C +ATOM 515 CG PRO A 77 -20.387 23.891 -6.014 1.00 56.22 C +ATOM 516 CD PRO A 77 -20.671 25.110 -5.132 1.00 57.02 C +ATOM 517 N ALA A 78 -20.503 21.186 -2.574 1.00 56.99 N +ATOM 518 CA ALA A 78 -19.531 20.292 -1.965 1.00 59.82 C +ATOM 519 C ALA A 78 -18.580 19.742 -3.037 1.00 58.75 C +ATOM 520 O ALA A 78 -19.045 19.311 -4.091 1.00 56.32 O +ATOM 521 CB ALA A 78 -20.269 19.168 -1.241 1.00 58.90 C +ATOM 522 N GLY A 79 -17.267 19.702 -2.738 1.00 52.27 N +ATOM 523 CA GLY A 79 -16.280 19.120 -3.647 1.00 53.89 C +ATOM 524 C GLY A 79 -16.591 17.656 -3.970 1.00 54.41 C +ATOM 525 O GLY A 79 -17.170 16.946 -3.135 1.00 53.38 O +ATOM 526 N PRO A 80 -16.220 17.179 -5.184 1.00 55.75 N +ATOM 527 CA PRO A 80 -16.417 15.797 -5.580 1.00 58.55 C +ATOM 528 C PRO A 80 -15.674 14.847 -4.631 1.00 57.59 C +ATOM 529 O PRO A 80 -14.648 15.175 -4.036 1.00 56.92 O +ATOM 530 CB PRO A 80 -15.936 15.693 -7.028 1.00 58.09 C +ATOM 531 CG PRO A 80 -14.910 16.818 -7.144 1.00 55.70 C +ATOM 532 CD PRO A 80 -15.472 17.900 -6.223 1.00 55.87 C +ATOM 533 N GLN A 81 -16.214 13.623 -4.463 1.00 56.74 N +ATOM 534 CA GLN A 81 -15.542 12.570 -3.713 1.00 60.62 C +ATOM 535 C GLN A 81 -14.315 12.115 -4.493 1.00 59.48 C +ATOM 536 O GLN A 81 -14.424 11.835 -5.681 1.00 57.48 O +ATOM 537 CB GLN A 81 -16.538 11.433 -3.473 1.00 59.53 C +ATOM 538 CG GLN A 81 -15.956 10.307 -2.613 1.00 56.90 C +ATOM 539 CD GLN A 81 -17.021 9.309 -2.166 1.00 55.05 C +ATOM 540 OE1 GLN A 81 -18.132 9.245 -2.653 1.00 55.52 O +ATOM 541 NE2 GLN A 81 -16.725 8.489 -1.183 1.00 51.47 N +ATOM 542 N GLY A 82 -13.151 12.013 -3.827 1.00 57.28 N +ATOM 543 CA GLY A 82 -11.937 11.509 -4.455 1.00 58.75 C +ATOM 544 C GLY A 82 -12.147 10.112 -5.051 1.00 59.52 C +ATOM 545 O GLY A 82 -12.907 9.316 -4.498 1.00 58.45 O +ATOM 546 N PRO A 83 -11.482 9.793 -6.198 1.00 58.89 N +ATOM 547 CA PRO A 83 -11.600 8.484 -6.822 1.00 61.89 C +ATOM 548 C PRO A 83 -11.154 7.388 -5.855 1.00 61.15 C +ATOM 549 O PRO A 83 -10.263 7.561 -5.018 1.00 60.08 O +ATOM 550 CB PRO A 83 -10.752 8.544 -8.094 1.00 60.72 C +ATOM 551 CG PRO A 83 -9.725 9.627 -7.787 1.00 57.77 C +ATOM 552 CD PRO A 83 -10.504 10.600 -6.903 1.00 57.80 C +ATOM 553 N ARG A 84 -11.796 6.203 -5.958 1.00 59.65 N +ATOM 554 CA ARG A 84 -11.402 5.035 -5.183 1.00 64.29 C +ATOM 555 C ARG A 84 -10.016 4.594 -5.634 1.00 63.27 C +ATOM 556 O ARG A 84 -9.814 4.389 -6.827 1.00 60.70 O +ATOM 557 CB ARG A 84 -12.449 3.926 -5.388 1.00 62.27 C +ATOM 558 CG ARG A 84 -12.197 2.674 -4.533 1.00 57.82 C +ATOM 559 CD ARG A 84 -13.312 1.657 -4.811 1.00 57.54 C +ATOM 560 NE ARG A 84 -13.259 0.489 -3.926 1.00 55.79 N +ATOM 561 CZ ARG A 84 -14.128 -0.503 -3.892 1.00 50.51 C +ATOM 562 NH1 ARG A 84 -15.125 -0.566 -4.713 1.00 50.75 N +ATOM 563 NH2 ARG A 84 -14.019 -1.468 -3.029 1.00 50.52 N +ATOM 564 N GLY A 85 -9.080 4.395 -4.689 1.00 56.48 N +ATOM 565 CA GLY A 85 -7.756 3.864 -5.004 1.00 57.78 C +ATOM 566 C GLY A 85 -7.846 2.542 -5.762 1.00 59.51 C +ATOM 567 O GLY A 85 -8.689 1.698 -5.451 1.00 58.08 O +ATOM 568 N GLU A 86 -6.988 2.371 -6.780 1.00 55.88 N +ATOM 569 CA GLU A 86 -6.945 1.143 -7.570 1.00 61.97 C +ATOM 570 C GLU A 86 -6.561 -0.052 -6.696 1.00 60.61 C +ATOM 571 O GLU A 86 -5.760 0.037 -5.762 1.00 59.29 O +ATOM 572 CB GLU A 86 -5.998 1.266 -8.764 1.00 60.01 C +ATOM 573 CG GLU A 86 -6.496 2.294 -9.806 1.00 55.38 C +ATOM 574 CD GLU A 86 -5.693 2.255 -11.123 1.00 51.85 C +ATOM 575 OE1 GLU A 86 -6.234 2.776 -12.128 1.00 49.67 O +ATOM 576 OE2 GLU A 86 -4.594 1.666 -11.122 1.00 48.59 O +ATOM 577 N GLN A 87 -7.162 -1.219 -6.993 1.00 59.45 N +ATOM 578 CA GLN A 87 -6.801 -2.454 -6.313 1.00 62.88 C +ATOM 579 C GLN A 87 -5.369 -2.839 -6.692 1.00 61.35 C +ATOM 580 O GLN A 87 -5.046 -2.931 -7.873 1.00 58.91 O +ATOM 581 CB GLN A 87 -7.818 -3.534 -6.689 1.00 62.26 C +ATOM 582 CG GLN A 87 -7.554 -4.870 -5.979 1.00 59.67 C +ATOM 583 CD GLN A 87 -8.597 -5.928 -6.304 1.00 57.69 C +ATOM 584 OE1 GLN A 87 -9.625 -5.701 -6.908 1.00 58.59 O +ATOM 585 NE2 GLN A 87 -8.374 -7.161 -5.912 1.00 54.50 N +ATOM 586 N GLY A 88 -4.516 -3.101 -5.698 1.00 56.39 N +ATOM 587 CA GLY A 88 -3.151 -3.561 -5.941 1.00 57.78 C +ATOM 588 C GLY A 88 -3.124 -4.819 -6.820 1.00 59.11 C +ATOM 589 O GLY A 88 -3.992 -5.687 -6.681 1.00 58.14 O +ATOM 590 N PRO A 89 -2.116 -4.946 -7.731 1.00 57.19 N +ATOM 591 CA PRO A 89 -2.002 -6.106 -8.598 1.00 60.79 C +ATOM 592 C PRO A 89 -1.858 -7.378 -7.765 1.00 59.37 C +ATOM 593 O PRO A 89 -1.241 -7.412 -6.698 1.00 57.85 O +ATOM 594 CB PRO A 89 -0.790 -5.851 -9.496 1.00 60.05 C +ATOM 595 CG PRO A 89 0.056 -4.886 -8.676 1.00 57.24 C +ATOM 596 CD PRO A 89 -0.992 -4.052 -7.928 1.00 57.83 C +ATOM 597 N GLN A 90 -2.440 -8.472 -8.274 1.00 57.22 N +ATOM 598 CA GLN A 90 -2.311 -9.771 -7.640 1.00 61.44 C +ATOM 599 C GLN A 90 -0.846 -10.220 -7.648 1.00 59.56 C +ATOM 600 O GLN A 90 -0.189 -10.184 -8.682 1.00 56.96 O +ATOM 601 CB GLN A 90 -3.215 -10.759 -8.394 1.00 60.74 C +ATOM 602 CG GLN A 90 -3.306 -12.107 -7.687 1.00 57.76 C +ATOM 603 CD GLN A 90 -3.961 -13.154 -8.563 1.00 56.02 C +ATOM 604 OE1 GLN A 90 -4.946 -12.939 -9.244 1.00 55.48 O +ATOM 605 NE2 GLN A 90 -3.437 -14.365 -8.572 1.00 51.55 N +ATOM 606 N GLY A 91 -0.346 -10.707 -6.502 1.00 55.13 N +ATOM 607 CA GLY A 91 0.989 -11.301 -6.423 1.00 56.81 C +ATOM 608 C GLY A 91 1.153 -12.462 -7.416 1.00 58.13 C +ATOM 609 O GLY A 91 0.233 -13.252 -7.630 1.00 56.37 O +ATOM 610 N LEU A 92 2.338 -12.546 -8.027 1.00 57.43 N +ATOM 611 CA LEU A 92 2.655 -13.616 -8.963 1.00 62.15 C +ATOM 612 C LEU A 92 2.642 -14.984 -8.250 1.00 61.20 C +ATOM 613 O LEU A 92 3.050 -15.067 -7.086 1.00 59.83 O +ATOM 614 CB LEU A 92 4.016 -13.361 -9.650 1.00 60.33 C +ATOM 615 CG LEU A 92 4.056 -12.126 -10.569 1.00 56.93 C +ATOM 616 CD1 LEU A 92 5.480 -11.917 -11.085 1.00 55.16 C +ATOM 617 CD2 LEU A 92 3.132 -12.278 -11.780 1.00 53.37 C +ATOM 618 N PRO A 93 2.203 -16.067 -8.934 1.00 59.00 N +ATOM 619 CA PRO A 93 2.317 -17.423 -8.395 1.00 62.53 C +ATOM 620 C PRO A 93 3.770 -17.755 -8.027 1.00 60.97 C +ATOM 621 O PRO A 93 4.689 -17.412 -8.761 1.00 59.55 O +ATOM 622 CB PRO A 93 1.783 -18.360 -9.485 1.00 62.49 C +ATOM 623 CG PRO A 93 0.881 -17.465 -10.327 1.00 59.13 C +ATOM 624 CD PRO A 93 1.555 -16.099 -10.243 1.00 60.81 C +ATOM 625 N GLY A 94 3.964 -18.463 -6.917 1.00 55.03 N +ATOM 626 CA GLY A 94 5.275 -18.995 -6.563 1.00 57.67 C +ATOM 627 C GLY A 94 5.812 -19.944 -7.647 1.00 58.74 C +ATOM 628 O GLY A 94 5.053 -20.660 -8.298 1.00 57.11 O +ATOM 629 N ALA A 95 7.141 -19.928 -7.845 1.00 55.71 N +ATOM 630 CA ALA A 95 7.794 -20.834 -8.790 1.00 60.00 C +ATOM 631 C ALA A 95 7.537 -22.302 -8.404 1.00 59.69 C +ATOM 632 O ALA A 95 7.461 -22.653 -7.221 1.00 58.03 O +ATOM 633 CB ALA A 95 9.286 -20.502 -8.860 1.00 58.00 C +ATOM 634 N ARG A 96 7.389 -23.165 -9.423 1.00 56.88 N +ATOM 635 CA ARG A 96 7.247 -24.611 -9.202 1.00 61.55 C +ATOM 636 C ARG A 96 8.534 -25.168 -8.591 1.00 59.31 C +ATOM 637 O ARG A 96 9.608 -24.893 -9.115 1.00 56.79 O +ATOM 638 CB ARG A 96 6.888 -25.293 -10.526 1.00 59.99 C +ATOM 639 CG ARG A 96 6.594 -26.795 -10.362 1.00 55.42 C +ATOM 640 CD ARG A 96 6.197 -27.387 -11.708 1.00 55.55 C +ATOM 641 NE ARG A 96 5.847 -28.815 -11.587 1.00 53.91 N +ATOM 642 CZ ARG A 96 5.382 -29.602 -12.551 1.00 48.39 C +ATOM 643 NH1 ARG A 96 5.203 -29.152 -13.758 1.00 48.85 N +ATOM 644 NH2 ARG A 96 5.094 -30.837 -12.300 1.00 47.53 N +ATOM 645 N GLY A 97 8.428 -25.969 -7.542 1.00 55.48 N +ATOM 646 CA GLY A 97 9.582 -26.647 -6.940 1.00 57.79 C +ATOM 647 C GLY A 97 10.325 -27.541 -7.951 1.00 58.90 C +ATOM 648 O GLY A 97 9.717 -28.111 -8.861 1.00 57.20 O +ATOM 649 N GLU A 98 11.645 -27.642 -7.783 1.00 50.20 N +ATOM 650 CA GLU A 98 12.494 -28.477 -8.636 1.00 54.40 C +ATOM 651 C GLU A 98 12.171 -29.967 -8.478 1.00 53.04 C +ATOM 652 O GLU A 98 11.660 -30.420 -7.451 1.00 52.47 O +ATOM 653 CB GLU A 98 13.982 -28.201 -8.383 1.00 53.84 C +ATOM 654 CG GLU A 98 14.381 -26.759 -8.762 1.00 50.64 C +ATOM 655 CD GLU A 98 15.899 -26.532 -8.750 1.00 48.55 C +ATOM 656 OE1 GLU A 98 16.321 -25.526 -9.380 1.00 46.79 O +ATOM 657 OE2 GLU A 98 16.611 -27.364 -8.160 1.00 46.16 O +ATOM 658 N ARG A 99 12.451 -30.729 -9.548 1.00 53.49 N +ATOM 659 CA ARG A 99 12.236 -32.187 -9.536 1.00 55.88 C +ATOM 660 C ARG A 99 13.251 -32.850 -8.601 1.00 53.38 C +ATOM 661 O ARG A 99 14.437 -32.584 -8.707 1.00 52.58 O +ATOM 662 CB ARG A 99 12.335 -32.722 -10.972 1.00 56.03 C +ATOM 663 CG ARG A 99 11.967 -34.206 -11.063 1.00 52.34 C +ATOM 664 CD ARG A 99 12.045 -34.664 -12.520 1.00 53.58 C +ATOM 665 NE ARG A 99 11.589 -36.056 -12.678 1.00 52.92 N +ATOM 666 CZ ARG A 99 11.564 -36.755 -13.799 1.00 47.39 C +ATOM 667 NH1 ARG A 99 11.981 -36.255 -14.919 1.00 49.01 N +ATOM 668 NH2 ARG A 99 11.112 -37.974 -13.802 1.00 47.00 N +ATOM 669 N GLY A 100 12.799 -33.755 -7.745 1.00 54.65 N +ATOM 670 CA GLY A 100 13.685 -34.529 -6.870 1.00 55.33 C +ATOM 671 C GLY A 100 14.743 -35.336 -7.654 1.00 55.73 C +ATOM 672 O GLY A 100 14.477 -35.815 -8.760 1.00 53.92 O +ATOM 673 N PHE A 101 15.932 -35.477 -7.059 1.00 50.47 N +ATOM 674 CA PHE A 101 17.035 -36.217 -7.670 1.00 53.94 C +ATOM 675 C PHE A 101 16.715 -37.717 -7.814 1.00 52.67 C +ATOM 676 O PHE A 101 16.016 -38.280 -6.973 1.00 52.59 O +ATOM 677 CB PHE A 101 18.331 -36.003 -6.869 1.00 53.64 C +ATOM 678 CG PHE A 101 18.874 -34.589 -6.934 1.00 51.42 C +ATOM 679 CD1 PHE A 101 19.604 -34.156 -8.060 1.00 49.65 C +ATOM 680 CD2 PHE A 101 18.637 -33.694 -5.876 1.00 48.03 C +ATOM 681 CE1 PHE A 101 20.089 -32.839 -8.125 1.00 44.55 C +ATOM 682 CE2 PHE A 101 19.117 -32.378 -5.943 1.00 46.13 C +ATOM 683 CZ PHE A 101 19.847 -31.943 -7.069 1.00 46.37 C +ATOM 684 N PRO A 102 17.257 -38.396 -8.871 1.00 52.20 N +ATOM 685 CA PRO A 102 17.153 -39.844 -9.006 1.00 53.86 C +ATOM 686 C PRO A 102 17.775 -40.577 -7.801 1.00 51.56 C +ATOM 687 O PRO A 102 18.838 -40.184 -7.325 1.00 51.40 O +ATOM 688 CB PRO A 102 17.890 -40.201 -10.308 1.00 54.46 C +ATOM 689 CG PRO A 102 17.906 -38.899 -11.096 1.00 51.82 C +ATOM 690 CD PRO A 102 17.967 -37.829 -10.017 1.00 54.17 C +ATOM 691 N GLY A 103 17.141 -41.646 -7.354 1.00 48.88 N +ATOM 692 CA GLY A 103 17.691 -42.482 -6.286 1.00 50.16 C +ATOM 693 C GLY A 103 19.016 -43.159 -6.678 1.00 50.61 C +ATOM 694 O GLY A 103 19.212 -43.543 -7.839 1.00 49.39 O +ATOM 695 N GLU A 104 19.932 -43.317 -5.715 1.00 45.41 N +ATOM 696 CA GLU A 104 21.209 -44.000 -5.917 1.00 48.44 C +ATOM 697 C GLU A 104 21.034 -45.507 -6.160 1.00 48.21 C +ATOM 698 O GLU A 104 20.051 -46.144 -5.764 1.00 48.03 O +ATOM 699 CB GLU A 104 22.188 -43.746 -4.761 1.00 47.81 C +ATOM 700 CG GLU A 104 22.666 -42.277 -4.714 1.00 43.13 C +ATOM 701 CD GLU A 104 23.816 -42.058 -3.707 1.00 40.46 C +ATOM 702 OE1 GLU A 104 24.480 -41.004 -3.843 1.00 38.46 O +ATOM 703 OE2 GLU A 104 24.017 -42.936 -2.848 1.00 38.58 O +ATOM 704 N ARG A 105 21.995 -46.080 -6.870 1.00 45.37 N +ATOM 705 CA ARG A 105 21.961 -47.449 -7.369 1.00 47.07 C +ATOM 706 C ARG A 105 22.397 -48.451 -6.290 1.00 45.68 C +ATOM 707 O ARG A 105 23.515 -48.347 -5.810 1.00 45.80 O +ATOM 708 CB ARG A 105 22.880 -47.496 -8.597 1.00 47.69 C +ATOM 709 CG ARG A 105 22.716 -48.739 -9.470 1.00 42.96 C +ATOM 710 CD ARG A 105 23.773 -48.687 -10.592 1.00 42.01 C +ATOM 711 NE ARG A 105 23.353 -49.458 -11.754 1.00 40.92 N +ATOM 712 CZ ARG A 105 23.781 -49.282 -12.987 1.00 37.73 C +ATOM 713 NH1 ARG A 105 24.815 -48.541 -13.268 1.00 39.43 N +ATOM 714 NH2 ARG A 105 23.158 -49.847 -13.989 1.00 38.28 N +ATOM 715 N GLY A 106 21.599 -49.474 -6.019 1.00 49.30 N +ATOM 716 CA GLY A 106 22.082 -50.716 -5.383 1.00 50.41 C +ATOM 717 C GLY A 106 21.500 -51.128 -4.033 1.00 49.95 C +ATOM 718 O GLY A 106 21.857 -52.196 -3.540 1.00 48.41 O +ATOM 719 N VAL A 107 20.566 -50.379 -3.473 1.00 44.57 N +ATOM 720 CA VAL A 107 19.707 -50.857 -2.375 1.00 47.17 C +ATOM 721 C VAL A 107 18.293 -50.472 -2.803 1.00 46.59 C +ATOM 722 O VAL A 107 18.146 -49.536 -3.591 1.00 46.32 O +ATOM 723 CB VAL A 107 20.105 -50.244 -1.011 1.00 46.83 C +ATOM 724 CG1 VAL A 107 19.607 -51.123 0.149 1.00 43.51 C +ATOM 725 CG2 VAL A 107 21.614 -50.092 -0.826 1.00 43.52 C +ATOM 726 N GLN A 108 17.240 -51.175 -2.369 1.00 45.48 N +ATOM 727 CA GLN A 108 15.865 -50.707 -2.563 1.00 48.39 C +ATOM 728 C GLN A 108 15.718 -49.365 -1.835 1.00 48.88 C +ATOM 729 O GLN A 108 15.370 -49.311 -0.656 1.00 47.75 O +ATOM 730 CB GLN A 108 14.889 -51.806 -2.097 1.00 46.75 C +ATOM 731 CG GLN A 108 13.455 -51.585 -2.602 1.00 41.67 C +ATOM 732 CD GLN A 108 12.537 -52.781 -2.293 1.00 38.07 C +ATOM 733 OE1 GLN A 108 12.848 -53.663 -1.518 1.00 37.04 O +ATOM 734 NE2 GLN A 108 11.376 -52.856 -2.899 1.00 35.59 N +ATOM 735 N ALA A 109 16.167 -48.286 -2.503 1.00 45.49 N +ATOM 736 CA ALA A 109 16.319 -46.978 -1.908 1.00 46.60 C +ATOM 737 C ALA A 109 14.924 -46.405 -1.633 1.00 46.31 C +ATOM 738 O ALA A 109 14.030 -46.587 -2.462 1.00 45.58 O +ATOM 739 CB ALA A 109 17.170 -46.087 -2.826 1.00 45.61 C +ATOM 740 N PRO A 110 14.733 -45.753 -0.490 1.00 48.02 N +ATOM 741 CA PRO A 110 13.481 -45.060 -0.241 1.00 49.74 C +ATOM 742 C PRO A 110 13.200 -44.083 -1.396 1.00 47.92 C +ATOM 743 O PRO A 110 14.150 -43.580 -2.007 1.00 48.55 O +ATOM 744 CB PRO A 110 13.652 -44.352 1.110 1.00 50.63 C +ATOM 745 CG PRO A 110 15.166 -44.199 1.249 1.00 50.18 C +ATOM 746 CD PRO A 110 15.712 -45.436 0.537 1.00 51.40 C +ATOM 747 N PRO A 111 11.917 -43.831 -1.718 1.00 50.29 N +ATOM 748 CA PRO A 111 11.558 -42.842 -2.725 1.00 51.86 C +ATOM 749 C PRO A 111 12.332 -41.538 -2.511 1.00 50.37 C +ATOM 750 O PRO A 111 12.564 -41.136 -1.364 1.00 50.90 O +ATOM 751 CB PRO A 111 10.046 -42.621 -2.582 1.00 52.96 C +ATOM 752 CG PRO A 111 9.561 -43.931 -1.955 1.00 51.15 C +ATOM 753 CD PRO A 111 10.726 -44.378 -1.083 1.00 53.52 C +ATOM 754 N GLY A 112 12.751 -40.890 -3.607 1.00 50.62 N +ATOM 755 CA GLY A 112 13.366 -39.569 -3.518 1.00 52.42 C +ATOM 756 C GLY A 112 12.458 -38.623 -2.732 1.00 53.06 C +ATOM 757 O GLY A 112 11.240 -38.674 -2.889 1.00 51.73 O +ATOM 758 N LYS A 113 13.054 -37.786 -1.868 1.00 50.69 N +ATOM 759 CA LYS A 113 12.272 -36.810 -1.100 1.00 55.23 C +ATOM 760 C LYS A 113 11.508 -35.900 -2.059 1.00 54.88 C +ATOM 761 O LYS A 113 12.047 -35.510 -3.093 1.00 54.75 O +ATOM 762 CB LYS A 113 13.174 -35.979 -0.166 1.00 54.60 C +ATOM 763 CG LYS A 113 13.806 -36.812 0.957 1.00 50.71 C +ATOM 764 CD LYS A 113 14.582 -35.898 1.916 1.00 49.19 C +ATOM 765 CE LYS A 113 15.177 -36.690 3.078 1.00 46.75 C +ATOM 766 NZ LYS A 113 15.795 -35.787 4.090 1.00 42.14 N +ATOM 767 N ASP A 114 10.281 -35.579 -1.699 1.00 55.72 N +ATOM 768 CA ASP A 114 9.505 -34.593 -2.437 1.00 59.37 C +ATOM 769 C ASP A 114 10.291 -33.283 -2.550 1.00 58.33 C +ATOM 770 O ASP A 114 10.972 -32.876 -1.611 1.00 56.43 O +ATOM 771 CB ASP A 114 8.141 -34.358 -1.756 1.00 57.57 C +ATOM 772 CG ASP A 114 7.224 -35.584 -1.782 1.00 54.15 C +ATOM 773 OD1 ASP A 114 7.396 -36.428 -2.690 1.00 51.99 O +ATOM 774 OD2 ASP A 114 6.341 -35.660 -0.912 1.00 50.77 O +ATOM 775 N GLY A 115 10.218 -32.633 -3.717 1.00 54.99 N +ATOM 776 CA GLY A 115 10.803 -31.307 -3.894 1.00 56.39 C +ATOM 777 C GLY A 115 10.201 -30.313 -2.893 1.00 56.84 C +ATOM 778 O GLY A 115 9.013 -30.381 -2.585 1.00 54.85 O +ATOM 779 N GLU A 116 11.029 -29.389 -2.391 1.00 52.65 N +ATOM 780 CA GLU A 116 10.523 -28.347 -1.496 1.00 56.81 C +ATOM 781 C GLU A 116 9.440 -27.512 -2.196 1.00 55.01 C +ATOM 782 O GLU A 116 9.509 -27.220 -3.392 1.00 54.77 O +ATOM 783 CB GLU A 116 11.653 -27.455 -0.966 1.00 56.44 C +ATOM 784 CG GLU A 116 12.618 -28.219 -0.034 1.00 52.40 C +ATOM 785 CD GLU A 116 13.589 -27.284 0.721 1.00 50.23 C +ATOM 786 OE1 GLU A 116 14.033 -27.697 1.810 1.00 49.08 O +ATOM 787 OE2 GLU A 116 13.852 -26.171 0.228 1.00 47.78 O +ATOM 788 N ALA A 117 8.407 -27.136 -1.437 1.00 60.38 N +ATOM 789 CA ALA A 117 7.369 -26.256 -1.956 1.00 62.23 C +ATOM 790 C ALA A 117 7.975 -24.905 -2.364 1.00 61.08 C +ATOM 791 O ALA A 117 8.797 -24.338 -1.644 1.00 58.80 O +ATOM 792 CB ALA A 117 6.268 -26.092 -0.905 1.00 60.48 C +ATOM 793 N GLY A 118 7.552 -24.390 -3.514 1.00 54.76 N +ATOM 794 CA GLY A 118 7.985 -23.065 -3.960 1.00 56.53 C +ATOM 795 C GLY A 118 7.656 -21.984 -2.920 1.00 56.86 C +ATOM 796 O GLY A 118 6.630 -22.041 -2.246 1.00 55.05 O +ATOM 797 N ALA A 119 8.537 -20.990 -2.810 1.00 56.32 N +ATOM 798 CA ALA A 119 8.312 -19.865 -1.907 1.00 60.36 C +ATOM 799 C ALA A 119 7.006 -19.126 -2.263 1.00 58.84 C +ATOM 800 O ALA A 119 6.645 -18.986 -3.437 1.00 57.23 O +ATOM 801 CB ALA A 119 9.528 -18.935 -1.943 1.00 58.92 C +ATOM 802 N GLN A 120 6.306 -18.647 -1.237 1.00 56.10 N +ATOM 803 CA GLN A 120 5.116 -17.815 -1.444 1.00 60.53 C +ATOM 804 C GLN A 120 5.510 -16.529 -2.186 1.00 58.89 C +ATOM 805 O GLN A 120 6.497 -15.892 -1.835 1.00 56.52 O +ATOM 806 CB GLN A 120 4.470 -17.525 -0.082 1.00 59.73 C +ATOM 807 CG GLN A 120 3.162 -16.728 -0.202 1.00 57.06 C +ATOM 808 CD GLN A 120 2.418 -16.580 1.122 1.00 55.42 C +ATOM 809 OE1 GLN A 120 2.831 -17.021 2.178 1.00 55.76 O +ATOM 810 NE2 GLN A 120 1.267 -15.953 1.119 1.00 51.62 N +ATOM 811 N GLY A 121 4.731 -16.165 -3.205 1.00 54.15 N +ATOM 812 CA GLY A 121 4.943 -14.906 -3.919 1.00 56.08 C +ATOM 813 C GLY A 121 4.857 -13.698 -2.978 1.00 56.74 C +ATOM 814 O GLY A 121 4.110 -13.743 -1.990 1.00 55.27 O +ATOM 815 N PRO A 122 5.602 -12.612 -3.273 1.00 55.99 N +ATOM 816 CA PRO A 122 5.526 -11.390 -2.481 1.00 59.00 C +ATOM 817 C PRO A 122 4.101 -10.828 -2.495 1.00 57.25 C +ATOM 818 O PRO A 122 3.342 -11.020 -3.451 1.00 56.14 O +ATOM 819 CB PRO A 122 6.543 -10.429 -3.107 1.00 58.84 C +ATOM 820 CG PRO A 122 6.628 -10.901 -4.553 1.00 56.97 C +ATOM 821 CD PRO A 122 6.442 -12.417 -4.441 1.00 57.79 C +ATOM 822 N ALA A 123 3.735 -10.130 -1.414 1.00 58.88 N +ATOM 823 CA ALA A 123 2.482 -9.380 -1.379 1.00 61.21 C +ATOM 824 C ALA A 123 2.488 -8.302 -2.476 1.00 59.69 C +ATOM 825 O ALA A 123 3.530 -7.713 -2.764 1.00 57.12 O +ATOM 826 CB ALA A 123 2.271 -8.783 0.018 1.00 59.85 C +ATOM 827 N GLY A 124 1.333 -8.067 -3.098 1.00 53.96 N +ATOM 828 CA GLY A 124 1.193 -6.985 -4.065 1.00 55.55 C +ATOM 829 C GLY A 124 1.469 -5.614 -3.427 1.00 56.00 C +ATOM 830 O GLY A 124 1.212 -5.445 -2.231 1.00 54.86 O +ATOM 831 N PRO A 125 1.986 -4.643 -4.210 1.00 55.14 N +ATOM 832 CA PRO A 125 2.205 -3.294 -3.716 1.00 58.10 C +ATOM 833 C PRO A 125 0.894 -2.659 -3.247 1.00 56.26 C +ATOM 834 O PRO A 125 -0.188 -2.976 -3.759 1.00 55.61 O +ATOM 835 CB PRO A 125 2.841 -2.522 -4.880 1.00 58.14 C +ATOM 836 CG PRO A 125 2.336 -3.260 -6.113 1.00 55.87 C +ATOM 837 CD PRO A 125 2.255 -4.712 -5.635 1.00 56.76 C +ATOM 838 N MET A 126 0.992 -1.752 -2.256 1.00 58.35 N +ATOM 839 CA MET A 126 -0.156 -0.955 -1.827 1.00 60.33 C +ATOM 840 C MET A 126 -0.646 -0.067 -2.981 1.00 59.67 C +ATOM 841 O MET A 126 0.159 0.457 -3.752 1.00 56.94 O +ATOM 842 CB MET A 126 0.228 -0.138 -0.589 1.00 58.68 C +ATOM 843 CG MET A 126 -0.997 0.458 0.111 1.00 54.51 C +ATOM 844 SD MET A 126 -0.646 1.172 1.737 1.00 52.45 S +ATOM 845 CE MET A 126 0.081 2.756 1.250 1.00 50.98 C +ATOM 846 N GLY A 127 -1.968 0.078 -3.120 1.00 56.06 N +ATOM 847 CA GLY A 127 -2.544 0.972 -4.124 1.00 57.17 C +ATOM 848 C GLY A 127 -2.126 2.440 -3.905 1.00 57.31 C +ATOM 849 O GLY A 127 -1.843 2.825 -2.771 1.00 56.33 O +ATOM 850 N PRO A 128 -2.092 3.252 -4.976 1.00 56.37 N +ATOM 851 CA PRO A 128 -1.745 4.660 -4.871 1.00 59.12 C +ATOM 852 C PRO A 128 -2.713 5.404 -3.941 1.00 57.76 C +ATOM 853 O PRO A 128 -3.889 5.054 -3.820 1.00 56.92 O +ATOM 854 CB PRO A 128 -1.772 5.204 -6.304 1.00 58.62 C +ATOM 855 CG PRO A 128 -2.752 4.279 -7.020 1.00 56.44 C +ATOM 856 CD PRO A 128 -2.505 2.934 -6.336 1.00 57.18 C +ATOM 857 N ALA A 129 -2.201 6.455 -3.276 1.00 61.09 N +ATOM 858 CA ALA A 129 -3.044 7.347 -2.486 1.00 63.20 C +ATOM 859 C ALA A 129 -4.112 8.020 -3.376 1.00 62.96 C +ATOM 860 O ALA A 129 -3.854 8.331 -4.538 1.00 60.69 O +ATOM 861 CB ALA A 129 -2.164 8.376 -1.765 1.00 61.03 C +ATOM 862 N GLY A 130 -5.309 8.227 -2.813 1.00 58.68 N +ATOM 863 CA GLY A 130 -6.375 8.925 -3.527 1.00 59.83 C +ATOM 864 C GLY A 130 -5.966 10.354 -3.922 1.00 60.67 C +ATOM 865 O GLY A 130 -5.222 11.018 -3.198 1.00 59.08 O +ATOM 866 N GLU A 131 -6.464 10.816 -5.070 1.00 56.30 N +ATOM 867 CA GLU A 131 -6.189 12.176 -5.546 1.00 60.80 C +ATOM 868 C GLU A 131 -6.731 13.235 -4.578 1.00 59.73 C +ATOM 869 O GLU A 131 -7.755 13.060 -3.905 1.00 58.85 O +ATOM 870 CB GLU A 131 -6.758 12.391 -6.954 1.00 59.40 C +ATOM 871 CG GLU A 131 -6.045 11.536 -8.021 1.00 54.62 C +ATOM 872 CD GLU A 131 -6.535 11.838 -9.450 1.00 51.48 C +ATOM 873 OE1 GLU A 131 -5.794 11.450 -10.390 1.00 49.78 O +ATOM 874 OE2 GLU A 131 -7.624 12.431 -9.594 1.00 47.67 O +ATOM 875 N ARG A 132 -6.026 14.367 -4.512 1.00 61.59 N +ATOM 876 CA ARG A 132 -6.447 15.523 -3.719 1.00 64.68 C +ATOM 877 C ARG A 132 -7.792 16.043 -4.230 1.00 63.85 C +ATOM 878 O ARG A 132 -7.949 16.269 -5.421 1.00 61.21 O +ATOM 879 CB ARG A 132 -5.345 16.587 -3.781 1.00 62.29 C +ATOM 880 CG ARG A 132 -5.662 17.849 -2.960 1.00 56.64 C +ATOM 881 CD ARG A 132 -4.473 18.809 -3.033 1.00 56.27 C +ATOM 882 NE ARG A 132 -4.707 20.048 -2.295 1.00 54.76 N +ATOM 883 CZ ARG A 132 -3.764 20.886 -1.850 1.00 49.30 C +ATOM 884 NH1 ARG A 132 -2.509 20.703 -2.102 1.00 49.83 N +ATOM 885 NH2 ARG A 132 -4.077 21.907 -1.136 1.00 48.65 N +ATOM 886 N GLY A 133 -8.735 16.262 -3.307 1.00 58.36 N +ATOM 887 CA GLY A 133 -10.033 16.846 -3.665 1.00 59.16 C +ATOM 888 C GLY A 133 -9.887 18.196 -4.384 1.00 60.13 C +ATOM 889 O GLY A 133 -9.005 18.993 -4.054 1.00 58.31 O +ATOM 890 N GLU A 134 -10.750 18.435 -5.366 1.00 52.03 N +ATOM 891 CA GLU A 134 -10.757 19.695 -6.109 1.00 57.11 C +ATOM 892 C GLU A 134 -11.053 20.888 -5.199 1.00 56.29 C +ATOM 893 O GLU A 134 -11.786 20.810 -4.204 1.00 55.22 O +ATOM 894 CB GLU A 134 -11.745 19.653 -7.279 1.00 56.23 C +ATOM 895 CG GLU A 134 -11.325 18.653 -8.381 1.00 51.84 C +ATOM 896 CD GLU A 134 -12.239 18.710 -9.623 1.00 48.75 C +ATOM 897 OE1 GLU A 134 -11.796 18.196 -10.669 1.00 47.24 O +ATOM 898 OE2 GLU A 134 -13.358 19.260 -9.507 1.00 45.88 O +ATOM 899 N LYS A 135 -10.449 22.032 -5.539 1.00 60.54 N +ATOM 900 CA LYS A 135 -10.668 23.279 -4.816 1.00 64.08 C +ATOM 901 C LYS A 135 -12.111 23.748 -5.013 1.00 62.47 C +ATOM 902 O LYS A 135 -12.578 23.822 -6.148 1.00 61.03 O +ATOM 903 CB LYS A 135 -9.645 24.307 -5.313 1.00 62.00 C +ATOM 904 CG LYS A 135 -9.733 25.639 -4.561 1.00 56.91 C +ATOM 905 CD LYS A 135 -8.630 26.564 -5.065 1.00 56.62 C +ATOM 906 CE LYS A 135 -8.683 27.878 -4.300 1.00 54.85 C +ATOM 907 NZ LYS A 135 -7.545 28.750 -4.685 1.00 49.94 N +ATOM 908 N GLY A 136 -12.779 24.105 -3.924 1.00 56.28 N +ATOM 909 CA GLY A 136 -14.131 24.664 -4.006 1.00 56.64 C +ATOM 910 C GLY A 136 -14.186 25.932 -4.871 1.00 57.27 C +ATOM 911 O GLY A 136 -13.256 26.742 -4.862 1.00 55.25 O +ATOM 912 N GLU A 137 -15.277 26.086 -5.601 1.00 49.93 N +ATOM 913 CA GLU A 137 -15.495 27.261 -6.448 1.00 54.95 C +ATOM 914 C GLU A 137 -15.575 28.549 -5.602 1.00 53.69 C +ATOM 915 O GLU A 137 -16.102 28.545 -4.483 1.00 52.98 O +ATOM 916 CB GLU A 137 -16.748 27.108 -7.313 1.00 54.57 C +ATOM 917 CG GLU A 137 -16.602 26.003 -8.382 1.00 50.72 C +ATOM 918 CD GLU A 137 -17.783 25.977 -9.373 1.00 47.67 C +ATOM 919 OE1 GLU A 137 -17.579 25.452 -10.487 1.00 46.09 O +ATOM 920 OE2 GLU A 137 -18.866 26.495 -9.015 1.00 45.43 O +ATOM 921 N PRO A 138 -15.050 29.668 -6.116 1.00 56.48 N +ATOM 922 CA PRO A 138 -15.211 30.959 -5.457 1.00 58.95 C +ATOM 923 C PRO A 138 -16.695 31.318 -5.288 1.00 56.85 C +ATOM 924 O PRO A 138 -17.486 31.129 -6.212 1.00 55.82 O +ATOM 925 CB PRO A 138 -14.497 31.980 -6.344 1.00 59.79 C +ATOM 926 CG PRO A 138 -13.510 31.138 -7.155 1.00 57.03 C +ATOM 927 CD PRO A 138 -14.236 29.811 -7.318 1.00 59.39 C +ATOM 928 N GLY A 139 -17.044 31.888 -4.142 1.00 53.58 N +ATOM 929 CA GLY A 139 -18.401 32.406 -3.936 1.00 54.71 C +ATOM 930 C GLY A 139 -18.767 33.483 -4.970 1.00 55.35 C +ATOM 931 O GLY A 139 -17.918 34.260 -5.408 1.00 53.58 O +ATOM 932 N THR A 140 -20.041 33.513 -5.344 1.00 49.62 N +ATOM 933 CA THR A 140 -20.557 34.499 -6.301 1.00 53.30 C +ATOM 934 C THR A 140 -20.448 35.926 -5.742 1.00 51.71 C +ATOM 935 O THR A 140 -20.579 36.164 -4.539 1.00 50.94 O +ATOM 936 CB THR A 140 -22.003 34.184 -6.724 1.00 53.46 C +ATOM 937 OG1 THR A 140 -22.837 34.056 -5.600 1.00 50.56 O +ATOM 938 CG2 THR A 140 -22.097 32.869 -7.499 1.00 50.55 C +ATOM 939 N GLN A 141 -20.161 36.880 -6.622 1.00 52.81 N +ATOM 940 CA GLN A 141 -20.112 38.289 -6.235 1.00 56.15 C +ATOM 941 C GLN A 141 -21.509 38.763 -5.795 1.00 53.94 C +ATOM 942 O GLN A 141 -22.489 38.507 -6.484 1.00 52.29 O +ATOM 943 CB GLN A 141 -19.552 39.117 -7.400 1.00 55.51 C +ATOM 944 CG GLN A 141 -19.364 40.602 -7.051 1.00 52.79 C +ATOM 945 CD GLN A 141 -18.696 41.419 -8.163 1.00 50.71 C +ATOM 946 OE1 GLN A 141 -18.298 40.935 -9.207 1.00 50.58 O +ATOM 947 NE2 GLN A 141 -18.532 42.705 -7.974 1.00 47.44 N +ATOM 948 N GLY A 142 -21.570 39.433 -4.666 1.00 53.79 N +ATOM 949 CA GLY A 142 -22.827 40.026 -4.210 1.00 54.87 C +ATOM 950 C GLY A 142 -23.400 41.010 -5.244 1.00 55.37 C +ATOM 951 O GLY A 142 -22.642 41.730 -5.901 1.00 53.57 O +ATOM 952 N ALA A 143 -24.713 41.029 -5.371 1.00 51.35 N +ATOM 953 CA ALA A 143 -25.387 41.965 -6.265 1.00 55.52 C +ATOM 954 C ALA A 143 -25.061 43.420 -5.878 1.00 54.77 C +ATOM 955 O ALA A 143 -24.954 43.769 -4.698 1.00 53.74 O +ATOM 956 CB ALA A 143 -26.901 41.692 -6.245 1.00 54.61 C +ATOM 957 N LYS A 144 -24.879 44.247 -6.894 1.00 56.94 N +ATOM 958 CA LYS A 144 -24.662 45.682 -6.687 1.00 61.81 C +ATOM 959 C LYS A 144 -25.881 46.289 -5.989 1.00 60.10 C +ATOM 960 O LYS A 144 -27.006 46.044 -6.406 1.00 58.64 O +ATOM 961 CB LYS A 144 -24.370 46.341 -8.041 1.00 59.98 C +ATOM 962 CG LYS A 144 -24.069 47.836 -7.912 1.00 54.43 C +ATOM 963 CD LYS A 144 -23.544 48.379 -9.255 1.00 54.55 C +ATOM 964 CE LYS A 144 -23.106 49.836 -9.105 1.00 52.44 C +ATOM 965 NZ LYS A 144 -22.036 50.154 -10.069 1.00 47.61 N +ATOM 966 N GLY A 145 -25.647 47.062 -4.961 1.00 55.66 N +ATOM 967 CA GLY A 145 -26.728 47.759 -4.273 1.00 57.29 C +ATOM 968 C GLY A 145 -27.464 48.723 -5.211 1.00 58.31 C +ATOM 969 O GLY A 145 -26.842 49.357 -6.067 1.00 55.76 O +ATOM 970 N ASP A 146 -28.775 48.822 -5.030 1.00 52.45 N +ATOM 971 CA ASP A 146 -29.604 49.726 -5.828 1.00 57.03 C +ATOM 972 C ASP A 146 -29.192 51.186 -5.624 1.00 56.02 C +ATOM 973 O ASP A 146 -28.764 51.613 -4.543 1.00 55.08 O +ATOM 974 CB ASP A 146 -31.095 49.525 -5.506 1.00 55.48 C +ATOM 975 CG ASP A 146 -31.620 48.166 -5.956 1.00 52.83 C +ATOM 976 OD1 ASP A 146 -31.214 47.723 -7.062 1.00 51.18 O +ATOM 977 OD2 ASP A 146 -32.431 47.586 -5.205 1.00 48.63 O +ATOM 978 N ARG A 147 -29.280 51.931 -6.701 1.00 54.71 N +ATOM 979 CA ARG A 147 -29.003 53.371 -6.641 1.00 58.42 C +ATOM 980 C ARG A 147 -30.062 54.053 -5.776 1.00 55.73 C +ATOM 981 O ARG A 147 -31.246 53.887 -6.016 1.00 54.24 O +ATOM 982 CB ARG A 147 -28.959 53.937 -8.066 1.00 57.99 C +ATOM 983 CG ARG A 147 -28.575 55.427 -8.094 1.00 53.35 C +ATOM 984 CD ARG A 147 -28.499 55.916 -9.539 1.00 54.52 C +ATOM 985 NE ARG A 147 -28.116 57.328 -9.620 1.00 53.05 N +ATOM 986 CZ ARG A 147 -27.878 58.009 -10.723 1.00 48.65 C +ATOM 987 NH1 ARG A 147 -27.996 57.473 -11.909 1.00 49.42 N +ATOM 988 NH2 ARG A 147 -27.514 59.265 -10.661 1.00 47.68 N +ATOM 989 N GLY A 148 -29.622 54.843 -4.818 1.00 55.15 N +ATOM 990 CA GLY A 148 -30.536 55.633 -4.000 1.00 55.68 C +ATOM 991 C GLY A 148 -31.452 56.529 -4.848 1.00 55.61 C +ATOM 992 O GLY A 148 -31.024 57.085 -5.864 1.00 53.35 O +ATOM 993 N GLU A 149 -32.691 56.626 -4.428 1.00 49.25 N +ATOM 994 CA GLU A 149 -33.669 57.481 -5.105 1.00 52.64 C +ATOM 995 C GLU A 149 -33.209 58.949 -5.111 1.00 51.27 C +ATOM 996 O GLU A 149 -32.679 59.475 -4.131 1.00 50.86 O +ATOM 997 CB GLU A 149 -35.067 57.362 -4.461 1.00 52.37 C +ATOM 998 CG GLU A 149 -35.716 55.970 -4.658 1.00 48.97 C +ATOM 999 CD GLU A 149 -37.159 55.882 -4.109 1.00 46.92 C +ATOM 1000 OE1 GLU A 149 -37.868 54.922 -4.494 1.00 45.67 O +ATOM 1001 OE2 GLU A 149 -37.556 56.746 -3.306 1.00 45.24 O +ATOM 1002 N THR A 150 -33.399 59.597 -6.252 1.00 55.78 N +ATOM 1003 CA THR A 150 -33.085 61.026 -6.373 1.00 56.50 C +ATOM 1004 C THR A 150 -34.069 61.831 -5.529 1.00 53.61 C +ATOM 1005 O THR A 150 -35.278 61.676 -5.685 1.00 52.13 O +ATOM 1006 CB THR A 150 -33.129 61.479 -7.841 1.00 56.74 C +ATOM 1007 OG1 THR A 150 -32.296 60.654 -8.631 1.00 53.27 O +ATOM 1008 CG2 THR A 150 -32.640 62.918 -8.041 1.00 53.83 C +ATOM 1009 N GLY A 151 -33.560 62.669 -4.663 1.00 52.75 N +ATOM 1010 CA GLY A 151 -34.416 63.535 -3.854 1.00 53.62 C +ATOM 1011 C GLY A 151 -35.331 64.423 -4.713 1.00 53.53 C +ATOM 1012 O GLY A 151 -34.960 64.786 -5.834 1.00 52.25 O +ATOM 1013 N PRO A 152 -36.513 64.768 -4.198 1.00 48.25 N +ATOM 1014 CA PRO A 152 -37.456 65.599 -4.938 1.00 51.00 C +ATOM 1015 C PRO A 152 -36.867 66.983 -5.247 1.00 49.23 C +ATOM 1016 O PRO A 152 -36.151 67.573 -4.435 1.00 49.59 O +ATOM 1017 CB PRO A 152 -38.718 65.676 -4.070 1.00 51.92 C +ATOM 1018 CG PRO A 152 -38.197 65.436 -2.653 1.00 51.27 C +ATOM 1019 CD PRO A 152 -37.039 64.468 -2.869 1.00 53.64 C +ATOM 1020 N VAL A 153 -37.182 67.479 -6.436 1.00 49.00 N +ATOM 1021 CA VAL A 153 -36.740 68.810 -6.873 1.00 51.34 C +ATOM 1022 C VAL A 153 -37.415 69.880 -6.010 1.00 49.70 C +ATOM 1023 O VAL A 153 -38.640 69.961 -5.970 1.00 49.08 O +ATOM 1024 CB VAL A 153 -37.040 69.025 -8.373 1.00 50.85 C +ATOM 1025 CG1 VAL A 153 -36.557 70.395 -8.865 1.00 47.53 C +ATOM 1026 CG2 VAL A 153 -36.355 67.963 -9.238 1.00 48.17 C +ATOM 1027 N GLY A 154 -36.602 70.672 -5.338 1.00 46.59 N +ATOM 1028 CA GLY A 154 -37.117 71.792 -4.566 1.00 48.62 C +ATOM 1029 C GLY A 154 -37.758 72.865 -5.459 1.00 49.01 C +ATOM 1030 O GLY A 154 -37.348 73.042 -6.608 1.00 48.29 O +ATOM 1031 N PRO A 155 -38.740 73.581 -4.965 1.00 46.79 N +ATOM 1032 CA PRO A 155 -39.384 74.614 -5.755 1.00 50.29 C +ATOM 1033 C PRO A 155 -38.400 75.775 -6.009 1.00 48.98 C +ATOM 1034 O PRO A 155 -38.074 76.538 -5.104 1.00 49.24 O +ATOM 1035 CB PRO A 155 -40.633 75.018 -4.961 1.00 51.02 C +ATOM 1036 CG PRO A 155 -40.271 74.694 -3.510 1.00 50.22 C +ATOM 1037 CD PRO A 155 -39.327 73.501 -3.639 1.00 52.01 C +ATOM 1038 N ARG A 156 -37.963 75.834 -7.261 1.00 44.47 N +ATOM 1039 CA ARG A 156 -37.190 76.944 -7.849 1.00 48.46 C +ATOM 1040 C ARG A 156 -35.865 77.292 -7.134 1.00 45.75 C +ATOM 1041 O ARG A 156 -35.708 78.357 -6.560 1.00 45.84 O +ATOM 1042 CB ARG A 156 -38.129 78.139 -8.093 1.00 49.56 C +ATOM 1043 CG ARG A 156 -37.708 78.979 -9.304 1.00 46.68 C +ATOM 1044 CD ARG A 156 -38.739 80.088 -9.545 1.00 47.53 C +ATOM 1045 NE ARG A 156 -38.546 80.741 -10.854 1.00 45.82 N +ATOM 1046 CZ ARG A 156 -39.386 81.564 -11.441 1.00 42.86 C +ATOM 1047 NH1 ARG A 156 -40.508 81.935 -10.873 1.00 44.16 N +ATOM 1048 NH2 ARG A 156 -39.126 82.057 -12.628 1.00 42.75 N +ATOM 1049 N GLY A 157 -34.890 76.395 -7.267 1.00 45.26 N +ATOM 1050 CA GLY A 157 -33.469 76.583 -6.996 1.00 46.46 C +ATOM 1051 C GLY A 157 -32.679 75.546 -7.803 1.00 46.22 C +ATOM 1052 O GLY A 157 -33.276 74.576 -8.252 1.00 44.98 O +ATOM 1053 N GLU A 158 -31.389 75.776 -8.058 1.00 40.22 N +ATOM 1054 CA GLU A 158 -30.566 74.941 -8.941 1.00 45.20 C +ATOM 1055 C GLU A 158 -30.691 73.448 -8.605 1.00 43.50 C +ATOM 1056 O GLU A 158 -30.835 73.038 -7.455 1.00 42.89 O +ATOM 1057 CB GLU A 158 -29.102 75.404 -8.891 1.00 45.23 C +ATOM 1058 CG GLU A 158 -28.949 76.824 -9.487 1.00 41.37 C +ATOM 1059 CD GLU A 158 -27.498 77.312 -9.532 1.00 37.69 C +ATOM 1060 OE1 GLU A 158 -27.261 78.256 -10.337 1.00 34.74 O +ATOM 1061 OE2 GLU A 158 -26.668 76.790 -8.772 1.00 37.66 O +ATOM 1062 N ARG A 159 -30.684 72.565 -9.649 1.00 48.49 N +ATOM 1063 CA ARG A 159 -30.842 71.116 -9.519 1.00 50.57 C +ATOM 1064 C ARG A 159 -29.683 70.565 -8.691 1.00 47.69 C +ATOM 1065 O ARG A 159 -28.551 70.607 -9.155 1.00 47.51 O +ATOM 1066 CB ARG A 159 -30.893 70.499 -10.929 1.00 50.72 C +ATOM 1067 CG ARG A 159 -31.172 68.995 -10.941 1.00 47.43 C +ATOM 1068 CD ARG A 159 -31.232 68.506 -12.396 1.00 48.12 C +ATOM 1069 NE ARG A 159 -31.638 67.098 -12.511 1.00 47.22 N +ATOM 1070 CZ ARG A 159 -31.803 66.425 -13.635 1.00 43.63 C +ATOM 1071 NH1 ARG A 159 -31.593 66.978 -14.801 1.00 44.72 N +ATOM 1072 NH2 ARG A 159 -32.186 65.183 -13.607 1.00 43.71 N +ATOM 1073 N GLY A 160 -29.959 70.017 -7.502 1.00 48.16 N +ATOM 1074 CA GLY A 160 -28.939 69.388 -6.659 1.00 48.95 C +ATOM 1075 C GLY A 160 -28.176 68.304 -7.420 1.00 48.72 C +ATOM 1076 O GLY A 160 -28.766 67.575 -8.231 1.00 47.41 O +ATOM 1077 N GLU A 161 -26.861 68.204 -7.198 1.00 45.46 N +ATOM 1078 CA GLU A 161 -26.002 67.210 -7.823 1.00 49.83 C +ATOM 1079 C GLU A 161 -26.474 65.792 -7.478 1.00 47.51 C +ATOM 1080 O GLU A 161 -26.945 65.494 -6.376 1.00 47.43 O +ATOM 1081 CB GLU A 161 -24.527 67.411 -7.448 1.00 50.35 C +ATOM 1082 CG GLU A 161 -23.942 68.707 -8.059 1.00 45.95 C +ATOM 1083 CD GLU A 161 -22.413 68.811 -7.883 1.00 42.86 C +ATOM 1084 OE1 GLU A 161 -21.794 69.495 -8.737 1.00 41.11 O +ATOM 1085 OE2 GLU A 161 -21.879 68.201 -6.940 1.00 41.84 O +ATOM 1086 N ALA A 162 -26.402 64.883 -8.461 1.00 53.08 N +ATOM 1087 CA ALA A 162 -26.741 63.482 -8.225 1.00 55.00 C +ATOM 1088 C ALA A 162 -25.724 62.872 -7.252 1.00 53.47 C +ATOM 1089 O ALA A 162 -24.527 62.947 -7.494 1.00 51.97 O +ATOM 1090 CB ALA A 162 -26.766 62.739 -9.571 1.00 54.14 C +ATOM 1091 N GLY A 163 -26.200 62.199 -6.187 1.00 49.87 N +ATOM 1092 CA GLY A 163 -25.330 61.515 -5.233 1.00 51.78 C +ATOM 1093 C GLY A 163 -24.424 60.478 -5.914 1.00 51.61 C +ATOM 1094 O GLY A 163 -24.813 59.899 -6.931 1.00 50.54 O +ATOM 1095 N PRO A 164 -23.219 60.230 -5.369 1.00 47.99 N +ATOM 1096 CA PRO A 164 -22.263 59.298 -5.951 1.00 52.53 C +ATOM 1097 C PRO A 164 -22.853 57.888 -6.038 1.00 50.46 C +ATOM 1098 O PRO A 164 -23.642 57.455 -5.190 1.00 50.63 O +ATOM 1099 CB PRO A 164 -21.008 59.377 -5.072 1.00 53.97 C +ATOM 1100 CG PRO A 164 -21.536 59.869 -3.726 1.00 52.67 C +ATOM 1101 CD PRO A 164 -22.694 60.780 -4.113 1.00 53.73 C +ATOM 1102 N ALA A 165 -22.472 57.123 -7.077 1.00 51.57 N +ATOM 1103 CA ALA A 165 -22.868 55.731 -7.215 1.00 55.04 C +ATOM 1104 C ALA A 165 -22.291 54.889 -6.060 1.00 52.35 C +ATOM 1105 O ALA A 165 -21.134 55.056 -5.682 1.00 51.68 O +ATOM 1106 CB ALA A 165 -22.415 55.205 -8.583 1.00 54.97 C +ATOM 1107 N GLY A 166 -23.083 53.951 -5.521 1.00 50.48 N +ATOM 1108 CA GLY A 166 -22.615 53.002 -4.515 1.00 53.77 C +ATOM 1109 C GLY A 166 -21.412 52.199 -5.019 1.00 54.44 C +ATOM 1110 O GLY A 166 -21.345 51.852 -6.199 1.00 53.04 O +ATOM 1111 N LYS A 167 -20.446 51.898 -4.130 1.00 50.59 N +ATOM 1112 CA LYS A 167 -19.275 51.068 -4.450 1.00 57.12 C +ATOM 1113 C LYS A 167 -19.715 49.636 -4.769 1.00 55.18 C +ATOM 1114 O LYS A 167 -20.646 49.121 -4.160 1.00 54.22 O +ATOM 1115 CB LYS A 167 -18.254 51.096 -3.310 1.00 55.48 C +ATOM 1116 CG LYS A 167 -17.620 52.495 -3.107 1.00 51.54 C +ATOM 1117 CD LYS A 167 -16.564 52.457 -1.994 1.00 49.23 C +ATOM 1118 CE LYS A 167 -15.972 53.850 -1.778 1.00 46.17 C +ATOM 1119 NZ LYS A 167 -14.984 53.863 -0.683 1.00 41.27 N +ATOM 1120 N ASP A 168 -19.026 48.997 -5.713 1.00 54.12 N +ATOM 1121 CA ASP A 168 -19.254 47.583 -6.018 1.00 59.45 C +ATOM 1122 C ASP A 168 -18.958 46.722 -4.784 1.00 57.21 C +ATOM 1123 O ASP A 168 -18.041 47.008 -4.011 1.00 54.57 O +ATOM 1124 CB ASP A 168 -18.408 47.160 -7.230 1.00 57.52 C +ATOM 1125 CG ASP A 168 -18.803 47.854 -8.543 1.00 55.23 C +ATOM 1126 OD1 ASP A 168 -19.986 48.270 -8.704 1.00 53.06 O +ATOM 1127 OD2 ASP A 168 -17.928 47.980 -9.422 1.00 51.08 O +ATOM 1128 N GLY A 169 -19.756 45.654 -4.571 1.00 52.38 N +ATOM 1129 CA GLY A 169 -19.559 44.722 -3.462 1.00 54.57 C +ATOM 1130 C GLY A 169 -18.193 44.032 -3.534 1.00 55.03 C +ATOM 1131 O GLY A 169 -17.703 43.706 -4.613 1.00 53.22 O +ATOM 1132 N GLU A 170 -17.562 43.810 -2.377 1.00 47.81 N +ATOM 1133 CA GLU A 170 -16.281 43.102 -2.302 1.00 53.23 C +ATOM 1134 C GLU A 170 -16.426 41.642 -2.737 1.00 52.11 C +ATOM 1135 O GLU A 170 -17.415 40.960 -2.437 1.00 51.21 O +ATOM 1136 CB GLU A 170 -15.672 43.195 -0.893 1.00 52.59 C +ATOM 1137 CG GLU A 170 -15.246 44.636 -0.544 1.00 48.02 C +ATOM 1138 CD GLU A 170 -14.491 44.746 0.796 1.00 44.58 C +ATOM 1139 OE1 GLU A 170 -13.856 45.808 1.003 1.00 42.30 O +ATOM 1140 OE2 GLU A 170 -14.551 43.777 1.595 1.00 42.45 O +ATOM 1141 N ARG A 171 -15.428 41.127 -3.482 1.00 50.59 N +ATOM 1142 CA ARG A 171 -15.381 39.725 -3.906 1.00 53.98 C +ATOM 1143 C ARG A 171 -15.165 38.829 -2.685 1.00 51.39 C +ATOM 1144 O ARG A 171 -14.277 39.089 -1.884 1.00 50.52 O +ATOM 1145 CB ARG A 171 -14.272 39.551 -4.952 1.00 54.14 C +ATOM 1146 CG ARG A 171 -14.280 38.144 -5.586 1.00 50.99 C +ATOM 1147 CD ARG A 171 -13.195 38.050 -6.662 1.00 50.96 C +ATOM 1148 NE ARG A 171 -13.233 36.758 -7.363 1.00 49.68 N +ATOM 1149 CZ ARG A 171 -12.452 36.379 -8.352 1.00 45.25 C +ATOM 1150 NH1 ARG A 171 -11.490 37.144 -8.800 1.00 45.89 N +ATOM 1151 NH2 ARG A 171 -12.621 35.223 -8.922 1.00 44.61 N +ATOM 1152 N GLY A 172 -15.952 37.740 -2.574 1.00 50.94 N +ATOM 1153 CA GLY A 172 -15.800 36.766 -1.498 1.00 52.62 C +ATOM 1154 C GLY A 172 -14.384 36.169 -1.436 1.00 52.81 C +ATOM 1155 O GLY A 172 -13.722 36.038 -2.469 1.00 51.67 O +ATOM 1156 N PRO A 173 -13.897 35.800 -0.224 1.00 50.05 N +ATOM 1157 CA PRO A 173 -12.575 35.212 -0.050 1.00 54.03 C +ATOM 1158 C PRO A 173 -12.463 33.885 -0.814 1.00 51.92 C +ATOM 1159 O PRO A 173 -13.421 33.131 -0.960 1.00 51.49 O +ATOM 1160 CB PRO A 173 -12.376 35.033 1.456 1.00 54.70 C +ATOM 1161 CG PRO A 173 -13.807 34.908 1.985 1.00 53.25 C +ATOM 1162 CD PRO A 173 -14.592 35.836 1.051 1.00 53.90 C +ATOM 1163 N VAL A 174 -11.247 33.601 -1.293 1.00 54.82 N +ATOM 1164 CA VAL A 174 -10.920 32.332 -1.943 1.00 58.80 C +ATOM 1165 C VAL A 174 -11.012 31.205 -0.902 1.00 56.51 C +ATOM 1166 O VAL A 174 -10.471 31.346 0.190 1.00 54.30 O +ATOM 1167 CB VAL A 174 -9.519 32.410 -2.575 1.00 58.12 C +ATOM 1168 CG1 VAL A 174 -9.120 31.114 -3.260 1.00 54.79 C +ATOM 1169 CG2 VAL A 174 -9.446 33.517 -3.649 1.00 55.47 C +ATOM 1170 N GLY A 175 -11.686 30.091 -1.239 1.00 50.66 N +ATOM 1171 CA GLY A 175 -11.796 28.925 -0.359 1.00 52.33 C +ATOM 1172 C GLY A 175 -10.418 28.369 0.049 1.00 52.04 C +ATOM 1173 O GLY A 175 -9.455 28.490 -0.718 1.00 50.80 O +ATOM 1174 N PRO A 176 -10.311 27.754 1.248 1.00 48.59 N +ATOM 1175 CA PRO A 176 -9.058 27.182 1.738 1.00 52.62 C +ATOM 1176 C PRO A 176 -8.541 26.095 0.783 1.00 50.85 C +ATOM 1177 O PRO A 176 -9.312 25.410 0.103 1.00 50.76 O +ATOM 1178 CB PRO A 176 -9.353 26.642 3.136 1.00 53.29 C +ATOM 1179 CG PRO A 176 -10.852 26.357 3.089 1.00 52.30 C +ATOM 1180 CD PRO A 176 -11.390 27.458 2.173 1.00 52.61 C +ATOM 1181 N ALA A 177 -7.214 25.940 0.727 1.00 52.15 N +ATOM 1182 CA ALA A 177 -6.596 24.834 0.002 1.00 55.81 C +ATOM 1183 C ALA A 177 -7.007 23.502 0.638 1.00 53.27 C +ATOM 1184 O ALA A 177 -7.109 23.411 1.864 1.00 52.16 O +ATOM 1185 CB ALA A 177 -5.078 25.035 -0.014 1.00 55.83 C +ATOM 1186 N GLY A 178 -7.238 22.452 -0.180 1.00 50.58 N +ATOM 1187 CA GLY A 178 -7.478 21.099 0.327 1.00 52.29 C +ATOM 1188 C GLY A 178 -6.292 20.596 1.173 1.00 52.20 C +ATOM 1189 O GLY A 178 -5.162 21.057 0.979 1.00 50.88 O +ATOM 1190 N LYS A 179 -6.559 19.669 2.103 1.00 51.38 N +ATOM 1191 CA LYS A 179 -5.512 19.066 2.951 1.00 56.51 C +ATOM 1192 C LYS A 179 -4.509 18.298 2.086 1.00 54.96 C +ATOM 1193 O LYS A 179 -4.868 17.727 1.057 1.00 54.32 O +ATOM 1194 CB LYS A 179 -6.143 18.161 4.027 1.00 55.84 C +ATOM 1195 CG LYS A 179 -6.947 18.968 5.066 1.00 52.93 C +ATOM 1196 CD LYS A 179 -7.612 18.051 6.105 1.00 51.09 C +ATOM 1197 CE LYS A 179 -8.441 18.895 7.082 1.00 48.57 C +ATOM 1198 NZ LYS A 179 -9.402 18.077 7.874 1.00 43.82 N +ATOM 1199 N ASP A 180 -3.223 18.313 2.492 1.00 55.24 N +ATOM 1200 CA ASP A 180 -2.196 17.507 1.840 1.00 58.68 C +ATOM 1201 C ASP A 180 -2.493 16.010 2.031 1.00 56.53 C +ATOM 1202 O ASP A 180 -3.133 15.616 3.011 1.00 54.57 O +ATOM 1203 CB ASP A 180 -0.802 17.913 2.346 1.00 57.82 C +ATOM 1204 CG ASP A 180 -0.436 19.362 1.953 1.00 55.59 C +ATOM 1205 OD1 ASP A 180 -0.934 19.827 0.882 1.00 53.36 O +ATOM 1206 OD2 ASP A 180 0.275 20.009 2.724 1.00 52.10 O +ATOM 1207 N GLY A 181 -2.102 15.182 1.043 1.00 53.95 N +ATOM 1208 CA GLY A 181 -2.274 13.723 1.127 1.00 54.73 C +ATOM 1209 C GLY A 181 -1.527 13.150 2.338 1.00 55.14 C +ATOM 1210 O GLY A 181 -0.486 13.671 2.725 1.00 53.17 O +ATOM 1211 N GLN A 182 -2.074 12.081 2.929 1.00 50.30 N +ATOM 1212 CA GLN A 182 -1.402 11.387 4.032 1.00 54.01 C +ATOM 1213 C GLN A 182 -0.094 10.752 3.534 1.00 53.74 C +ATOM 1214 O GLN A 182 -0.043 10.227 2.425 1.00 52.57 O +ATOM 1215 CB GLN A 182 -2.325 10.335 4.661 1.00 53.33 C +ATOM 1216 CG GLN A 182 -3.546 10.966 5.368 1.00 50.90 C +ATOM 1217 CD GLN A 182 -4.464 9.945 6.042 1.00 47.93 C +ATOM 1218 OE1 GLN A 182 -4.207 8.758 6.097 1.00 46.96 O +ATOM 1219 NE2 GLN A 182 -5.590 10.365 6.579 1.00 43.93 N +ATOM 1220 N ASN A 183 0.964 10.789 4.379 1.00 54.35 N +ATOM 1221 CA ASN A 183 2.233 10.134 4.080 1.00 57.39 C +ATOM 1222 C ASN A 183 2.028 8.618 3.878 1.00 55.83 C +ATOM 1223 O ASN A 183 1.177 8.010 4.532 1.00 54.33 O +ATOM 1224 CB ASN A 183 3.248 10.417 5.200 1.00 55.92 C +ATOM 1225 CG ASN A 183 3.689 11.873 5.291 1.00 52.83 C +ATOM 1226 OD1 ASN A 183 3.457 12.693 4.413 1.00 50.78 O +ATOM 1227 ND2 ASN A 183 4.344 12.248 6.361 1.00 49.09 N +ATOM 1228 N GLY A 184 2.816 8.014 2.979 1.00 53.70 N +ATOM 1229 CA GLY A 184 2.847 6.558 2.796 1.00 54.60 C +ATOM 1230 C GLY A 184 3.241 5.843 4.094 1.00 54.71 C +ATOM 1231 O GLY A 184 3.999 6.379 4.895 1.00 53.21 O +ATOM 1232 N GLN A 185 2.705 4.637 4.301 1.00 48.23 N +ATOM 1233 CA GLN A 185 3.084 3.807 5.451 1.00 52.21 C +ATOM 1234 C GLN A 185 4.519 3.290 5.283 1.00 52.20 C +ATOM 1235 O GLN A 185 4.943 2.971 4.172 1.00 51.31 O +ATOM 1236 CB GLN A 185 2.111 2.640 5.638 1.00 51.67 C +ATOM 1237 CG GLN A 185 0.718 3.114 6.081 1.00 48.89 C +ATOM 1238 CD GLN A 185 -0.273 1.972 6.334 1.00 46.15 C +ATOM 1239 OE1 GLN A 185 -0.009 0.796 6.158 1.00 44.91 O +ATOM 1240 NE2 GLN A 185 -1.471 2.290 6.746 1.00 42.06 N +ATOM 1241 N ASP A 186 5.241 3.148 6.406 1.00 52.26 N +ATOM 1242 CA ASP A 186 6.574 2.572 6.429 1.00 55.85 C +ATOM 1243 C ASP A 186 6.582 1.143 5.861 1.00 54.30 C +ATOM 1244 O ASP A 186 5.636 0.367 6.056 1.00 52.89 O +ATOM 1245 CB ASP A 186 7.146 2.574 7.859 1.00 55.50 C +ATOM 1246 CG ASP A 186 7.304 3.976 8.460 1.00 53.69 C +ATOM 1247 OD1 ASP A 186 7.527 4.923 7.670 1.00 51.93 O +ATOM 1248 OD2 ASP A 186 7.177 4.081 9.689 1.00 50.28 O +ATOM 1249 N GLY A 187 7.650 0.791 5.140 1.00 53.78 N +ATOM 1250 CA GLY A 187 7.838 -0.557 4.613 1.00 54.40 C +ATOM 1251 C GLY A 187 7.880 -1.607 5.733 1.00 54.38 C +ATOM 1252 O GLY A 187 8.440 -1.374 6.798 1.00 52.57 O +ATOM 1253 N LEU A 188 7.310 -2.787 5.476 1.00 50.52 N +ATOM 1254 CA LEU A 188 7.359 -3.884 6.443 1.00 54.86 C +ATOM 1255 C LEU A 188 8.810 -4.348 6.666 1.00 54.43 C +ATOM 1256 O LEU A 188 9.587 -4.409 5.709 1.00 54.18 O +ATOM 1257 CB LEU A 188 6.477 -5.054 5.977 1.00 54.49 C +ATOM 1258 CG LEU A 188 4.965 -4.765 5.960 1.00 51.43 C +ATOM 1259 CD1 LEU A 188 4.221 -5.954 5.353 1.00 50.24 C +ATOM 1260 CD2 LEU A 188 4.399 -4.529 7.365 1.00 48.90 C +ATOM 1261 N PRO A 189 9.185 -4.755 7.908 1.00 53.70 N +ATOM 1262 CA PRO A 189 10.480 -5.362 8.184 1.00 57.34 C +ATOM 1263 C PRO A 189 10.754 -6.569 7.270 1.00 55.18 C +ATOM 1264 O PRO A 189 9.850 -7.352 6.963 1.00 54.85 O +ATOM 1265 CB PRO A 189 10.458 -5.774 9.657 1.00 58.25 C +ATOM 1266 CG PRO A 189 9.430 -4.825 10.271 1.00 54.63 C +ATOM 1267 CD PRO A 189 8.426 -4.611 9.144 1.00 55.30 C +ATOM 1268 N GLY A 190 12.016 -6.724 6.837 1.00 55.34 N +ATOM 1269 CA GLY A 190 12.448 -7.909 6.105 1.00 56.11 C +ATOM 1270 C GLY A 190 12.221 -9.176 6.936 1.00 56.06 C +ATOM 1271 O GLY A 190 12.379 -9.160 8.149 1.00 54.58 O +ATOM 1272 N LYS A 191 11.836 -10.284 6.266 1.00 51.57 N +ATOM 1273 CA LYS A 191 11.671 -11.572 6.954 1.00 56.53 C +ATOM 1274 C LYS A 191 13.035 -12.125 7.376 1.00 55.48 C +ATOM 1275 O LYS A 191 13.984 -12.065 6.593 1.00 54.90 O +ATOM 1276 CB LYS A 191 10.937 -12.586 6.067 1.00 56.08 C +ATOM 1277 CG LYS A 191 9.479 -12.185 5.805 1.00 53.31 C +ATOM 1278 CD LYS A 191 8.767 -13.251 4.970 1.00 51.65 C +ATOM 1279 CE LYS A 191 7.324 -12.811 4.708 1.00 49.04 C +ATOM 1280 NZ LYS A 191 6.620 -13.781 3.852 1.00 43.84 N +ATOM 1281 N ASP A 192 13.103 -12.738 8.557 1.00 51.61 N +ATOM 1282 CA ASP A 192 14.289 -13.434 9.043 1.00 55.58 C +ATOM 1283 C ASP A 192 14.721 -14.540 8.064 1.00 53.33 C +ATOM 1284 O ASP A 192 13.887 -15.182 7.412 1.00 51.98 O +ATOM 1285 CB ASP A 192 14.038 -14.010 10.452 1.00 54.96 C +ATOM 1286 CG ASP A 192 13.652 -12.938 11.479 1.00 52.28 C +ATOM 1287 OD1 ASP A 192 14.065 -11.778 11.290 1.00 50.03 O +ATOM 1288 OD2 ASP A 192 12.880 -13.289 12.393 1.00 48.33 O +ATOM 1289 N GLY A 193 16.039 -14.721 7.933 1.00 54.92 N +ATOM 1290 CA GLY A 193 16.611 -15.812 7.139 1.00 55.29 C +ATOM 1291 C GLY A 193 16.207 -17.178 7.704 1.00 55.01 C +ATOM 1292 O GLY A 193 16.084 -17.339 8.909 1.00 53.27 O +ATOM 1293 N LYS A 194 16.000 -18.170 6.821 1.00 51.58 N +ATOM 1294 CA LYS A 194 15.733 -19.541 7.272 1.00 55.92 C +ATOM 1295 C LYS A 194 16.995 -20.147 7.899 1.00 54.75 C +ATOM 1296 O LYS A 194 18.085 -20.000 7.349 1.00 54.08 O +ATOM 1297 CB LYS A 194 15.247 -20.434 6.123 1.00 55.21 C +ATOM 1298 CG LYS A 194 13.853 -20.054 5.599 1.00 51.94 C +ATOM 1299 CD LYS A 194 13.444 -21.058 4.517 1.00 50.34 C +ATOM 1300 CE LYS A 194 12.069 -20.750 3.930 1.00 47.37 C +ATOM 1301 NZ LYS A 194 11.736 -21.739 2.858 1.00 42.70 N +ATOM 1302 N ASP A 195 16.830 -20.885 8.999 1.00 51.52 N +ATOM 1303 CA ASP A 195 17.912 -21.653 9.615 1.00 55.07 C +ATOM 1304 C ASP A 195 18.501 -22.667 8.621 1.00 53.31 C +ATOM 1305 O ASP A 195 17.792 -23.279 7.823 1.00 52.03 O +ATOM 1306 CB ASP A 195 17.414 -22.377 10.874 1.00 54.65 C +ATOM 1307 CG ASP A 195 16.992 -21.433 11.999 1.00 51.98 C +ATOM 1308 OD1 ASP A 195 17.562 -20.318 12.064 1.00 49.91 O +ATOM 1309 OD2 ASP A 195 16.128 -21.851 12.786 1.00 48.29 O +ATOM 1310 N GLY A 196 19.830 -22.841 8.667 1.00 53.05 N +ATOM 1311 CA GLY A 196 20.521 -23.856 7.875 1.00 53.91 C +ATOM 1312 C GLY A 196 20.071 -25.270 8.260 1.00 53.73 C +ATOM 1313 O GLY A 196 19.840 -25.564 9.429 1.00 52.08 O +ATOM 1314 N GLN A 197 19.960 -26.163 7.270 1.00 48.81 N +ATOM 1315 CA GLN A 197 19.638 -27.564 7.546 1.00 52.23 C +ATOM 1316 C GLN A 197 20.817 -28.250 8.257 1.00 51.80 C +ATOM 1317 O GLN A 197 21.962 -28.115 7.834 1.00 50.63 O +ATOM 1318 CB GLN A 197 19.258 -28.323 6.265 1.00 51.63 C +ATOM 1319 CG GLN A 197 17.936 -27.832 5.634 1.00 49.13 C +ATOM 1320 CD GLN A 197 17.500 -28.632 4.408 1.00 46.19 C +ATOM 1321 OE1 GLN A 197 18.084 -29.621 4.012 1.00 45.03 O +ATOM 1322 NE2 GLN A 197 16.439 -28.224 3.743 1.00 42.13 N +ATOM 1323 N ASN A 198 20.533 -29.021 9.305 1.00 50.99 N +ATOM 1324 CA ASN A 198 21.542 -29.816 9.997 1.00 53.86 C +ATOM 1325 C ASN A 198 22.191 -30.825 9.029 1.00 52.34 C +ATOM 1326 O ASN A 198 21.521 -31.430 8.190 1.00 51.19 O +ATOM 1327 CB ASN A 198 20.917 -30.536 11.212 1.00 52.99 C +ATOM 1328 CG ASN A 198 20.499 -29.599 12.333 1.00 49.52 C +ATOM 1329 OD1 ASN A 198 20.730 -28.408 12.302 1.00 47.45 O +ATOM 1330 ND2 ASN A 198 19.869 -30.108 13.359 1.00 45.68 N +ATOM 1331 N GLY A 199 23.500 -30.991 9.149 1.00 50.24 N +ATOM 1332 CA GLY A 199 24.233 -32.027 8.403 1.00 51.00 C +ATOM 1333 C GLY A 199 23.702 -33.430 8.732 1.00 50.46 C +ATOM 1334 O GLY A 199 23.272 -33.692 9.849 1.00 48.99 O +ATOM 1335 N LYS A 200 23.725 -34.333 7.738 1.00 49.18 N +ATOM 1336 CA LYS A 200 23.348 -35.732 7.970 1.00 53.34 C +ATOM 1337 C LYS A 200 24.383 -36.414 8.872 1.00 52.67 C +ATOM 1338 O LYS A 200 25.579 -36.235 8.670 1.00 52.23 O +ATOM 1339 CB LYS A 200 23.217 -36.506 6.651 1.00 53.02 C +ATOM 1340 CG LYS A 200 22.043 -36.036 5.781 1.00 50.21 C +ATOM 1341 CD LYS A 200 21.982 -36.862 4.488 1.00 49.13 C +ATOM 1342 CE LYS A 200 20.883 -36.356 3.560 1.00 46.25 C +ATOM 1343 NZ LYS A 200 20.952 -37.036 2.235 1.00 41.83 N +ATOM 1344 N ASP A 201 23.904 -37.239 9.794 1.00 48.23 N +ATOM 1345 CA ASP A 201 24.767 -38.075 10.626 1.00 50.97 C +ATOM 1346 C ASP A 201 25.668 -38.969 9.761 1.00 49.63 C +ATOM 1347 O ASP A 201 25.232 -39.555 8.767 1.00 49.14 O +ATOM 1348 CB ASP A 201 23.921 -38.948 11.581 1.00 50.82 C +ATOM 1349 CG ASP A 201 23.045 -38.135 12.537 1.00 48.73 C +ATOM 1350 OD1 ASP A 201 23.439 -36.989 12.847 1.00 46.80 O +ATOM 1351 OD2 ASP A 201 21.972 -38.663 12.889 1.00 45.65 O +ATOM 1352 N GLY A 202 26.939 -39.022 10.128 1.00 47.26 N +ATOM 1353 CA GLY A 202 27.879 -39.929 9.481 1.00 48.12 C +ATOM 1354 C GLY A 202 27.528 -41.399 9.754 1.00 47.16 C +ATOM 1355 O GLY A 202 26.962 -41.732 10.788 1.00 46.08 O +ATOM 1356 N LEU A 203 27.920 -42.286 8.816 1.00 43.33 N +ATOM 1357 CA LEU A 203 27.834 -43.733 9.054 1.00 47.45 C +ATOM 1358 C LEU A 203 28.641 -44.142 10.309 1.00 46.44 C +ATOM 1359 O LEU A 203 29.615 -43.462 10.635 1.00 46.90 O +ATOM 1360 CB LEU A 203 28.311 -44.491 7.796 1.00 47.81 C +ATOM 1361 CG LEU A 203 27.328 -44.448 6.612 1.00 45.55 C +ATOM 1362 CD1 LEU A 203 28.005 -44.998 5.362 1.00 44.52 C +ATOM 1363 CD2 LEU A 203 26.072 -45.280 6.872 1.00 43.64 C +ATOM 1364 N PRO A 204 28.268 -45.239 10.998 1.00 46.24 N +ATOM 1365 CA PRO A 204 28.682 -45.499 12.378 1.00 49.01 C +ATOM 1366 C PRO A 204 30.188 -45.332 12.620 1.00 47.19 C +ATOM 1367 O PRO A 204 31.008 -46.105 12.112 1.00 47.62 O +ATOM 1368 CB PRO A 204 28.208 -46.924 12.705 1.00 49.93 C +ATOM 1369 CG PRO A 204 27.017 -47.121 11.783 1.00 47.99 C +ATOM 1370 CD PRO A 204 27.379 -46.329 10.541 1.00 48.99 C +ATOM 1371 N GLY A 205 30.526 -44.338 13.423 1.00 42.63 N +ATOM 1372 CA GLY A 205 31.916 -44.086 13.773 1.00 44.60 C +ATOM 1373 C GLY A 205 32.159 -42.739 14.452 1.00 43.75 C +ATOM 1374 O GLY A 205 32.862 -42.720 15.453 1.00 42.75 O +ATOM 1375 N LYS A 206 31.629 -41.639 13.974 1.00 44.97 N +ATOM 1376 CA LYS A 206 31.551 -40.334 14.661 1.00 49.63 C +ATOM 1377 C LYS A 206 30.426 -39.493 14.061 1.00 48.39 C +ATOM 1378 O LYS A 206 30.413 -39.304 12.848 1.00 47.88 O +ATOM 1379 CB LYS A 206 32.867 -39.523 14.530 1.00 49.35 C +ATOM 1380 CG LYS A 206 34.049 -40.183 15.241 1.00 46.50 C +ATOM 1381 CD LYS A 206 35.292 -39.307 15.376 1.00 44.78 C +ATOM 1382 CE LYS A 206 36.327 -40.158 16.133 1.00 41.86 C +ATOM 1383 NZ LYS A 206 37.569 -39.420 16.405 1.00 38.03 N +ATOM 1384 N ASP A 207 29.569 -38.935 14.915 1.00 48.14 N +ATOM 1385 CA ASP A 207 28.499 -38.027 14.506 1.00 51.36 C +ATOM 1386 C ASP A 207 29.061 -36.807 13.753 1.00 49.63 C +ATOM 1387 O ASP A 207 30.126 -36.275 14.101 1.00 48.87 O +ATOM 1388 CB ASP A 207 27.668 -37.604 15.738 1.00 50.55 C +ATOM 1389 CG ASP A 207 27.130 -38.796 16.541 1.00 47.47 C +ATOM 1390 OD1 ASP A 207 26.919 -39.868 15.929 1.00 45.06 O +ATOM 1391 OD2 ASP A 207 27.068 -38.674 17.782 1.00 43.67 O +ATOM 1392 N GLY A 208 28.398 -36.410 12.682 1.00 47.34 N +ATOM 1393 CA GLY A 208 28.708 -35.179 11.963 1.00 49.07 C +ATOM 1394 C GLY A 208 28.438 -33.963 12.855 1.00 48.63 C +ATOM 1395 O GLY A 208 27.586 -34.011 13.733 1.00 47.27 O +ATOM 1396 N LYS A 209 29.204 -32.865 12.668 1.00 49.58 N +ATOM 1397 CA LYS A 209 28.908 -31.617 13.381 1.00 54.00 C +ATOM 1398 C LYS A 209 27.681 -30.958 12.760 1.00 53.17 C +ATOM 1399 O LYS A 209 27.624 -30.848 11.540 1.00 52.40 O +ATOM 1400 CB LYS A 209 30.096 -30.643 13.347 1.00 53.01 C +ATOM 1401 CG LYS A 209 31.285 -31.130 14.191 1.00 49.54 C +ATOM 1402 CD LYS A 209 32.360 -30.044 14.235 1.00 47.70 C +ATOM 1403 CE LYS A 209 33.533 -30.483 15.116 1.00 44.49 C +ATOM 1404 NZ LYS A 209 34.507 -29.385 15.286 1.00 40.44 N +ATOM 1405 N ASP A 210 26.797 -30.465 13.604 1.00 51.53 N +ATOM 1406 CA ASP A 210 25.638 -29.689 13.182 1.00 55.49 C +ATOM 1407 C ASP A 210 26.041 -28.506 12.296 1.00 54.54 C +ATOM 1408 O ASP A 210 27.101 -27.893 12.480 1.00 52.90 O +ATOM 1409 CB ASP A 210 24.848 -29.192 14.416 1.00 54.65 C +ATOM 1410 CG ASP A 210 24.367 -30.324 15.335 1.00 51.39 C +ATOM 1411 OD1 ASP A 210 24.152 -31.440 14.812 1.00 48.93 O +ATOM 1412 OD2 ASP A 210 24.300 -30.065 16.550 1.00 47.30 O +ATOM 1413 N GLY A 211 25.218 -28.202 11.306 1.00 52.15 N +ATOM 1414 CA GLY A 211 25.375 -27.013 10.483 1.00 54.12 C +ATOM 1415 C GLY A 211 25.249 -25.736 11.322 1.00 54.44 C +ATOM 1416 O GLY A 211 24.536 -25.704 12.324 1.00 52.73 O +ATOM 1417 N GLN A 212 25.960 -24.661 10.933 1.00 47.34 N +ATOM 1418 CA GLN A 212 25.796 -23.362 11.593 1.00 52.21 C +ATOM 1419 C GLN A 212 24.489 -22.708 11.131 1.00 51.40 C +ATOM 1420 O GLN A 212 24.224 -22.665 9.936 1.00 50.81 O +ATOM 1421 CB GLN A 212 26.991 -22.437 11.315 1.00 52.56 C +ATOM 1422 CG GLN A 212 28.277 -22.933 11.999 1.00 50.21 C +ATOM 1423 CD GLN A 212 29.472 -22.002 11.800 1.00 46.70 C +ATOM 1424 OE1 GLN A 212 29.469 -21.004 11.097 1.00 46.12 O +ATOM 1425 NE2 GLN A 212 30.593 -22.302 12.432 1.00 42.96 N +ATOM 1426 N ASN A 213 23.748 -22.147 12.079 1.00 55.47 N +ATOM 1427 CA ASN A 213 22.545 -21.377 11.772 1.00 60.05 C +ATOM 1428 C ASN A 213 22.859 -20.211 10.830 1.00 58.14 C +ATOM 1429 O ASN A 213 23.936 -19.605 10.890 1.00 55.69 O +ATOM 1430 CB ASN A 213 21.896 -20.878 13.082 1.00 58.58 C +ATOM 1431 CG ASN A 213 21.367 -21.984 13.983 1.00 54.63 C +ATOM 1432 OD1 ASN A 213 21.492 -23.169 13.710 1.00 52.85 O +ATOM 1433 ND2 ASN A 213 20.782 -21.646 15.101 1.00 50.26 N +ATOM 1434 N GLY A 214 21.918 -19.904 9.944 1.00 53.64 N +ATOM 1435 CA GLY A 214 21.976 -18.706 9.113 1.00 55.12 C +ATOM 1436 C GLY A 214 22.009 -17.434 9.972 1.00 54.78 C +ATOM 1437 O GLY A 214 21.497 -17.413 11.083 1.00 53.12 O +ATOM 1438 N LYS A 215 22.654 -16.366 9.463 1.00 50.85 N +ATOM 1439 CA LYS A 215 22.618 -15.064 10.142 1.00 57.10 C +ATOM 1440 C LYS A 215 21.291 -14.365 9.841 1.00 55.25 C +ATOM 1441 O LYS A 215 20.871 -14.365 8.687 1.00 55.05 O +ATOM 1442 CB LYS A 215 23.785 -14.168 9.713 1.00 57.20 C +ATOM 1443 CG LYS A 215 25.135 -14.710 10.186 1.00 54.66 C +ATOM 1444 CD LYS A 215 26.241 -13.708 9.839 1.00 52.59 C +ATOM 1445 CE LYS A 215 27.585 -14.230 10.345 1.00 50.02 C +ATOM 1446 NZ LYS A 215 28.659 -13.231 10.143 1.00 44.45 N +ATOM 1447 N ASP A 216 20.756 -13.697 10.846 1.00 53.64 N +ATOM 1448 CA ASP A 216 19.567 -12.868 10.708 1.00 58.69 C +ATOM 1449 C ASP A 216 19.736 -11.828 9.589 1.00 56.42 C +ATOM 1450 O ASP A 216 20.825 -11.288 9.353 1.00 53.92 O +ATOM 1451 CB ASP A 216 19.235 -12.173 12.046 1.00 57.89 C +ATOM 1452 CG ASP A 216 19.118 -13.130 13.232 1.00 55.88 C +ATOM 1453 OD1 ASP A 216 18.886 -14.340 12.994 1.00 53.82 O +ATOM 1454 OD2 ASP A 216 19.397 -12.671 14.362 1.00 51.68 O +ATOM 1455 N GLY A 217 18.646 -11.555 8.875 1.00 54.95 N +ATOM 1456 CA GLY A 217 18.597 -10.486 7.883 1.00 55.50 C +ATOM 1457 C GLY A 217 18.850 -9.121 8.523 1.00 55.17 C +ATOM 1458 O GLY A 217 18.474 -8.861 9.662 1.00 53.05 O +ATOM 1459 N LEU A 218 19.525 -8.223 7.778 1.00 50.13 N +ATOM 1460 CA LEU A 218 19.680 -6.846 8.253 1.00 54.66 C +ATOM 1461 C LEU A 218 18.319 -6.129 8.228 1.00 53.83 C +ATOM 1462 O LEU A 218 17.586 -6.285 7.245 1.00 54.16 O +ATOM 1463 CB LEU A 218 20.716 -6.088 7.404 1.00 54.48 C +ATOM 1464 CG LEU A 218 22.167 -6.584 7.559 1.00 51.31 C +ATOM 1465 CD1 LEU A 218 23.061 -5.886 6.551 1.00 49.92 C +ATOM 1466 CD2 LEU A 218 22.725 -6.313 8.959 1.00 48.78 C +ATOM 1467 N PRO A 219 18.004 -5.302 9.243 1.00 55.32 N +ATOM 1468 CA PRO A 219 16.814 -4.456 9.227 1.00 59.14 C +ATOM 1469 C PRO A 219 16.756 -3.598 7.952 1.00 56.56 C +ATOM 1470 O PRO A 219 17.787 -3.109 7.469 1.00 56.01 O +ATOM 1471 CB PRO A 219 16.887 -3.586 10.492 1.00 59.79 C +ATOM 1472 CG PRO A 219 17.756 -4.405 11.444 1.00 56.24 C +ATOM 1473 CD PRO A 219 18.729 -5.114 10.514 1.00 56.97 C +ATOM 1474 N GLY A 220 15.552 -3.422 7.413 1.00 52.34 N +ATOM 1475 CA GLY A 220 15.322 -2.462 6.334 1.00 53.73 C +ATOM 1476 C GLY A 220 15.717 -1.044 6.768 1.00 53.28 C +ATOM 1477 O GLY A 220 15.644 -0.711 7.944 1.00 51.83 O +ATOM 1478 N LYS A 221 16.199 -0.218 5.814 1.00 49.25 N +ATOM 1479 CA LYS A 221 16.452 1.204 6.098 1.00 54.42 C +ATOM 1480 C LYS A 221 15.130 1.957 6.071 1.00 53.47 C +ATOM 1481 O LYS A 221 14.373 1.773 5.119 1.00 52.89 O +ATOM 1482 CB LYS A 221 17.432 1.815 5.089 1.00 54.02 C +ATOM 1483 CG LYS A 221 18.842 1.241 5.220 1.00 51.29 C +ATOM 1484 CD LYS A 221 19.789 1.956 4.263 1.00 49.12 C +ATOM 1485 CE LYS A 221 21.197 1.386 4.408 1.00 46.44 C +ATOM 1486 NZ LYS A 221 22.151 2.084 3.531 1.00 41.74 N +ATOM 1487 N ASP A 222 14.939 2.849 7.035 1.00 52.23 N +ATOM 1488 CA ASP A 222 13.792 3.752 7.069 1.00 56.29 C +ATOM 1489 C ASP A 222 13.685 4.539 5.751 1.00 54.41 C +ATOM 1490 O ASP A 222 14.691 4.988 5.178 1.00 53.10 O +ATOM 1491 CB ASP A 222 13.883 4.706 8.278 1.00 55.59 C +ATOM 1492 CG ASP A 222 14.038 3.982 9.628 1.00 53.14 C +ATOM 1493 OD1 ASP A 222 13.643 2.795 9.705 1.00 51.22 O +ATOM 1494 OD2 ASP A 222 14.646 4.590 10.530 1.00 49.92 O +ATOM 1495 N GLY A 223 12.466 4.650 5.234 1.00 51.61 N +ATOM 1496 CA GLY A 223 12.170 5.466 4.058 1.00 52.77 C +ATOM 1497 C GLY A 223 12.430 6.952 4.341 1.00 52.43 C +ATOM 1498 O GLY A 223 12.282 7.415 5.464 1.00 50.82 O +ATOM 1499 N LYS A 224 12.836 7.712 3.307 1.00 49.48 N +ATOM 1500 CA LYS A 224 12.800 9.174 3.414 1.00 53.74 C +ATOM 1501 C LYS A 224 11.355 9.637 3.286 1.00 52.35 C +ATOM 1502 O LYS A 224 10.641 9.114 2.435 1.00 51.74 O +ATOM 1503 CB LYS A 224 13.657 9.831 2.324 1.00 53.24 C +ATOM 1504 CG LYS A 224 15.157 9.595 2.529 1.00 49.96 C +ATOM 1505 CD LYS A 224 15.950 10.334 1.455 1.00 48.15 C +ATOM 1506 CE LYS A 224 17.450 10.124 1.648 1.00 45.03 C +ATOM 1507 NZ LYS A 224 18.227 10.853 0.623 1.00 41.12 N +ATOM 1508 N ASP A 225 10.968 10.649 4.057 1.00 51.70 N +ATOM 1509 CA ASP A 225 9.630 11.244 3.992 1.00 56.25 C +ATOM 1510 C ASP A 225 9.208 11.495 2.534 1.00 54.41 C +ATOM 1511 O ASP A 225 9.903 12.177 1.776 1.00 53.08 O +ATOM 1512 CB ASP A 225 9.582 12.557 4.788 1.00 55.82 C +ATOM 1513 CG ASP A 225 9.814 12.382 6.293 1.00 53.12 C +ATOM 1514 OD1 ASP A 225 9.524 11.276 6.797 1.00 51.31 O +ATOM 1515 OD2 ASP A 225 10.308 13.352 6.899 1.00 49.93 O +ATOM 1516 N GLY A 226 8.067 10.914 2.134 1.00 53.06 N +ATOM 1517 CA GLY A 226 7.467 11.086 0.810 1.00 54.20 C +ATOM 1518 C GLY A 226 7.975 10.132 -0.293 1.00 53.92 C +ATOM 1519 O GLY A 226 7.614 10.329 -1.447 1.00 52.24 O +ATOM 1520 N GLN A 227 8.797 9.127 0.029 1.00 48.64 N +ATOM 1521 CA GLN A 227 9.102 8.024 -0.895 1.00 51.62 C +ATOM 1522 C GLN A 227 8.779 6.682 -0.236 1.00 51.34 C +ATOM 1523 O GLN A 227 9.108 6.481 0.920 1.00 50.12 O +ATOM 1524 CB GLN A 227 10.574 8.051 -1.342 1.00 50.69 C +ATOM 1525 CG GLN A 227 10.878 9.244 -2.258 1.00 47.50 C +ATOM 1526 CD GLN A 227 12.279 9.235 -2.861 1.00 44.83 C +ATOM 1527 OE1 GLN A 227 13.178 8.467 -2.551 1.00 43.11 O +ATOM 1528 NE2 GLN A 227 12.541 10.137 -3.785 1.00 41.39 N +ATOM 1529 N ASP A 228 8.183 5.743 -1.005 1.00 52.29 N +ATOM 1530 CA ASP A 228 7.920 4.390 -0.533 1.00 56.19 C +ATOM 1531 C ASP A 228 9.228 3.734 -0.056 1.00 54.94 C +ATOM 1532 O ASP A 228 10.267 3.797 -0.728 1.00 53.43 O +ATOM 1533 CB ASP A 228 7.270 3.543 -1.640 1.00 55.25 C +ATOM 1534 CG ASP A 228 5.905 4.076 -2.089 1.00 52.07 C +ATOM 1535 OD1 ASP A 228 5.212 4.700 -1.250 1.00 50.46 O +ATOM 1536 OD2 ASP A 228 5.582 3.881 -3.282 1.00 49.42 O +ATOM 1537 N GLY A 229 9.185 3.111 1.126 1.00 53.74 N +ATOM 1538 CA GLY A 229 10.308 2.354 1.664 1.00 55.17 C +ATOM 1539 C GLY A 229 10.715 1.258 0.673 1.00 55.03 C +ATOM 1540 O GLY A 229 9.871 0.534 0.147 1.00 53.12 O +ATOM 1541 N LYS A 230 12.033 1.146 0.389 1.00 52.06 N +ATOM 1542 CA LYS A 230 12.511 0.044 -0.451 1.00 56.90 C +ATOM 1543 C LYS A 230 12.394 -1.260 0.330 1.00 56.35 C +ATOM 1544 O LYS A 230 12.776 -1.312 1.493 1.00 55.45 O +ATOM 1545 CB LYS A 230 13.956 0.264 -0.905 1.00 56.16 C +ATOM 1546 CG LYS A 230 14.057 1.432 -1.892 1.00 52.88 C +ATOM 1547 CD LYS A 230 15.489 1.574 -2.413 1.00 51.07 C +ATOM 1548 CE LYS A 230 15.539 2.750 -3.384 1.00 47.66 C +ATOM 1549 NZ LYS A 230 16.902 2.935 -3.947 1.00 42.94 N +ATOM 1550 N ASP A 231 11.948 -2.328 -0.366 1.00 56.62 N +ATOM 1551 CA ASP A 231 11.898 -3.674 0.201 1.00 60.69 C +ATOM 1552 C ASP A 231 13.249 -4.042 0.842 1.00 59.42 C +ATOM 1553 O ASP A 231 14.327 -3.790 0.290 1.00 56.87 O +ATOM 1554 CB ASP A 231 11.542 -4.698 -0.881 1.00 59.34 C +ATOM 1555 CG ASP A 231 10.156 -4.508 -1.488 1.00 56.62 C +ATOM 1556 OD1 ASP A 231 9.274 -3.981 -0.771 1.00 54.28 O +ATOM 1557 OD2 ASP A 231 9.985 -4.914 -2.659 1.00 52.82 O +ATOM 1558 N GLY A 232 13.181 -4.653 2.030 1.00 57.85 N +ATOM 1559 CA GLY A 232 14.362 -5.199 2.694 1.00 59.31 C +ATOM 1560 C GLY A 232 15.059 -6.231 1.796 1.00 59.56 C +ATOM 1561 O GLY A 232 14.409 -7.013 1.107 1.00 57.72 O +ATOM 1562 N LEU A 233 16.404 -6.204 1.786 1.00 53.31 N +ATOM 1563 CA LEU A 233 17.153 -7.209 1.028 1.00 58.06 C +ATOM 1564 C LEU A 233 16.876 -8.608 1.611 1.00 57.50 C +ATOM 1565 O LEU A 233 16.891 -8.750 2.836 1.00 57.15 O +ATOM 1566 CB LEU A 233 18.654 -6.898 1.037 1.00 57.74 C +ATOM 1567 CG LEU A 233 19.055 -5.645 0.244 1.00 54.34 C +ATOM 1568 CD1 LEU A 233 20.539 -5.344 0.467 1.00 52.36 C +ATOM 1569 CD2 LEU A 233 18.839 -5.813 -1.264 1.00 51.24 C +ATOM 1570 N PRO A 234 16.680 -9.643 0.758 1.00 60.63 N +ATOM 1571 CA PRO A 234 16.556 -11.014 1.231 1.00 64.84 C +ATOM 1572 C PRO A 234 17.749 -11.410 2.114 1.00 62.75 C +ATOM 1573 O PRO A 234 18.894 -11.067 1.813 1.00 61.46 O +ATOM 1574 CB PRO A 234 16.474 -11.894 -0.030 1.00 64.86 C +ATOM 1575 CG PRO A 234 15.943 -10.941 -1.101 1.00 60.77 C +ATOM 1576 CD PRO A 234 16.529 -9.594 -0.698 1.00 62.29 C +ATOM 1577 N GLY A 235 17.477 -12.129 3.195 1.00 63.53 N +ATOM 1578 CA GLY A 235 18.519 -12.752 4.007 1.00 65.63 C +ATOM 1579 C GLY A 235 19.390 -13.680 3.156 1.00 65.67 C +ATOM 1580 O GLY A 235 18.910 -14.292 2.201 1.00 63.90 O +ATOM 1581 N LYS A 236 20.695 -13.752 3.469 1.00 55.75 N +ATOM 1582 CA LYS A 236 21.583 -14.689 2.765 1.00 62.02 C +ATOM 1583 C LYS A 236 21.273 -16.119 3.203 1.00 60.77 C +ATOM 1584 O LYS A 236 21.175 -16.363 4.400 1.00 59.28 O +ATOM 1585 CB LYS A 236 23.060 -14.358 3.016 1.00 60.99 C +ATOM 1586 CG LYS A 236 23.477 -13.033 2.359 1.00 57.54 C +ATOM 1587 CD LYS A 236 24.970 -12.785 2.567 1.00 54.88 C +ATOM 1588 CE LYS A 236 25.357 -11.466 1.912 1.00 52.14 C +ATOM 1589 NZ LYS A 236 26.788 -11.156 2.098 1.00 45.84 N +ATOM 1590 N ASP A 237 21.221 -17.029 2.233 1.00 61.62 N +ATOM 1591 CA ASP A 237 21.059 -18.456 2.516 1.00 65.75 C +ATOM 1592 C ASP A 237 22.175 -18.949 3.456 1.00 63.32 C +ATOM 1593 O ASP A 237 23.335 -18.533 3.368 1.00 59.63 O +ATOM 1594 CB ASP A 237 21.038 -19.266 1.210 1.00 64.12 C +ATOM 1595 CG ASP A 237 19.883 -18.879 0.274 1.00 60.48 C +ATOM 1596 OD1 ASP A 237 18.836 -18.435 0.792 1.00 57.57 O +ATOM 1597 OD2 ASP A 237 20.085 -18.991 -0.948 1.00 55.99 O +ATOM 1598 N GLY A 238 21.803 -19.825 4.388 1.00 66.71 N +ATOM 1599 CA GLY A 238 22.760 -20.523 5.245 1.00 67.69 C +ATOM 1600 C GLY A 238 23.743 -21.353 4.418 1.00 67.12 C +ATOM 1601 O GLY A 238 23.395 -21.877 3.362 1.00 64.82 O +ATOM 1602 N LYS A 239 24.997 -21.454 4.874 1.00 57.77 N +ATOM 1603 CA LYS A 239 25.971 -22.320 4.199 1.00 63.43 C +ATOM 1604 C LYS A 239 25.610 -23.784 4.441 1.00 62.19 C +ATOM 1605 O LYS A 239 25.355 -24.163 5.582 1.00 60.56 O +ATOM 1606 CB LYS A 239 27.404 -22.044 4.664 1.00 62.07 C +ATOM 1607 CG LYS A 239 27.913 -20.673 4.191 1.00 57.80 C +ATOM 1608 CD LYS A 239 29.380 -20.500 4.599 1.00 55.53 C +ATOM 1609 CE LYS A 239 29.904 -19.153 4.119 1.00 52.23 C +ATOM 1610 NZ LYS A 239 31.335 -18.978 4.461 1.00 46.26 N +ATOM 1611 N ASP A 240 25.701 -24.585 3.384 1.00 65.94 N +ATOM 1612 CA ASP A 240 25.539 -26.032 3.499 1.00 69.37 C +ATOM 1613 C ASP A 240 26.500 -26.609 4.553 1.00 67.33 C +ATOM 1614 O ASP A 240 27.660 -26.204 4.668 1.00 62.68 O +ATOM 1615 CB ASP A 240 25.786 -26.712 2.137 1.00 66.94 C +ATOM 1616 CG ASP A 240 24.787 -26.305 1.056 1.00 63.63 C +ATOM 1617 OD1 ASP A 240 23.647 -25.948 1.427 1.00 60.42 O +ATOM 1618 OD2 ASP A 240 25.185 -26.348 -0.122 1.00 58.21 O +ATOM 1619 N GLY A 241 26.006 -27.582 5.318 1.00 67.38 N +ATOM 1620 CA GLY A 241 26.833 -28.341 6.256 1.00 67.81 C +ATOM 1621 C GLY A 241 27.985 -29.055 5.531 1.00 67.37 C +ATOM 1622 O GLY A 241 27.837 -29.516 4.402 1.00 64.84 O +ATOM 1623 N LEU A 242 29.144 -29.129 6.173 1.00 59.02 N +ATOM 1624 CA LEU A 242 30.281 -29.848 5.586 1.00 63.58 C +ATOM 1625 C LEU A 242 29.935 -31.343 5.430 1.00 62.60 C +ATOM 1626 O LEU A 242 29.394 -31.929 6.368 1.00 61.41 O +ATOM 1627 CB LEU A 242 31.546 -29.664 6.443 1.00 62.26 C +ATOM 1628 CG LEU A 242 32.138 -28.235 6.431 1.00 58.06 C +ATOM 1629 CD1 LEU A 242 33.262 -28.141 7.461 1.00 55.74 C +ATOM 1630 CD2 LEU A 242 32.709 -27.856 5.065 1.00 54.85 C +ATOM 1631 N PRO A 243 30.310 -31.979 4.295 1.00 62.93 N +ATOM 1632 CA PRO A 243 30.140 -33.419 4.124 1.00 66.54 C +ATOM 1633 C PRO A 243 30.816 -34.204 5.259 1.00 63.87 C +ATOM 1634 O PRO A 243 31.919 -33.859 5.699 1.00 61.72 O +ATOM 1635 CB PRO A 243 30.756 -33.764 2.758 1.00 66.26 C +ATOM 1636 CG PRO A 243 30.669 -32.448 1.979 1.00 61.96 C +ATOM 1637 CD PRO A 243 30.845 -31.387 3.062 1.00 63.04 C +ATOM 1638 N GLY A 244 30.165 -35.258 5.710 1.00 66.30 N +ATOM 1639 CA GLY A 244 30.769 -36.199 6.645 1.00 66.90 C +ATOM 1640 C GLY A 244 32.055 -36.807 6.067 1.00 66.37 C +ATOM 1641 O GLY A 244 32.167 -37.006 4.865 1.00 64.34 O +ATOM 1642 N LYS A 245 33.052 -37.076 6.930 1.00 61.75 N +ATOM 1643 CA LYS A 245 34.296 -37.730 6.476 1.00 66.73 C +ATOM 1644 C LYS A 245 33.999 -39.189 6.121 1.00 66.47 C +ATOM 1645 O LYS A 245 33.365 -39.876 6.912 1.00 64.20 O +ATOM 1646 CB LYS A 245 35.400 -37.649 7.537 1.00 63.85 C +ATOM 1647 CG LYS A 245 35.905 -36.216 7.734 1.00 59.10 C +ATOM 1648 CD LYS A 245 37.093 -36.189 8.713 1.00 56.22 C +ATOM 1649 CE LYS A 245 37.584 -34.753 8.879 1.00 53.34 C +ATOM 1650 NZ LYS A 245 38.759 -34.672 9.775 1.00 47.13 N +ATOM 1651 N ASP A 246 34.551 -39.637 4.987 1.00 64.32 N +ATOM 1652 CA ASP A 246 34.470 -41.036 4.584 1.00 67.59 C +ATOM 1653 C ASP A 246 34.978 -41.965 5.704 1.00 64.94 C +ATOM 1654 O ASP A 246 35.961 -41.671 6.396 1.00 60.67 O +ATOM 1655 CB ASP A 246 35.249 -41.276 3.278 1.00 65.22 C +ATOM 1656 CG ASP A 246 34.716 -40.458 2.100 1.00 60.97 C +ATOM 1657 OD1 ASP A 246 33.493 -40.198 2.072 1.00 57.70 O +ATOM 1658 OD2 ASP A 246 35.550 -40.061 1.259 1.00 56.35 O +ATOM 1659 N GLY A 247 34.284 -43.072 5.886 1.00 66.24 N +ATOM 1660 CA GLY A 247 34.711 -44.110 6.820 1.00 66.65 C +ATOM 1661 C GLY A 247 36.086 -44.664 6.433 1.00 66.00 C +ATOM 1662 O GLY A 247 36.406 -44.792 5.257 1.00 63.69 O +ATOM 1663 N LYS A 248 36.930 -44.976 7.423 1.00 64.27 N +ATOM 1664 CA LYS A 248 38.224 -45.607 7.141 1.00 69.10 C +ATOM 1665 C LYS A 248 37.992 -46.994 6.542 1.00 68.46 C +ATOM 1666 O LYS A 248 37.228 -47.767 7.109 1.00 66.01 O +ATOM 1667 CB LYS A 248 39.086 -45.717 8.400 1.00 65.83 C +ATOM 1668 CG LYS A 248 39.582 -44.352 8.903 1.00 60.01 C +ATOM 1669 CD LYS A 248 40.531 -44.553 10.089 1.00 57.72 C +ATOM 1670 CE LYS A 248 41.072 -43.206 10.579 1.00 54.53 C +ATOM 1671 NZ LYS A 248 42.063 -43.391 11.661 1.00 48.54 N +ATOM 1672 N ASP A 249 38.719 -47.297 5.456 1.00 62.91 N +ATOM 1673 CA ASP A 249 38.714 -48.627 4.859 1.00 67.29 C +ATOM 1674 C ASP A 249 38.986 -49.699 5.925 1.00 64.01 C +ATOM 1675 O ASP A 249 39.875 -49.566 6.779 1.00 59.71 O +ATOM 1676 CB ASP A 249 39.756 -48.721 3.734 1.00 65.06 C +ATOM 1677 CG ASP A 249 39.446 -47.824 2.541 1.00 60.55 C +ATOM 1678 OD1 ASP A 249 38.249 -47.634 2.252 1.00 57.31 O +ATOM 1679 OD2 ASP A 249 40.425 -47.337 1.937 1.00 55.56 O +ATOM 1680 N GLY A 250 38.229 -50.779 5.878 1.00 62.09 N +ATOM 1681 CA GLY A 250 38.415 -51.923 6.758 1.00 62.33 C +ATOM 1682 C GLY A 250 39.818 -52.526 6.586 1.00 61.80 C +ATOM 1683 O GLY A 250 40.298 -52.683 5.470 1.00 58.96 O +ATOM 1684 N GLN A 251 40.479 -52.841 7.696 1.00 60.43 N +ATOM 1685 CA GLN A 251 41.794 -53.475 7.618 1.00 64.91 C +ATOM 1686 C GLN A 251 41.688 -54.839 6.918 1.00 63.43 C +ATOM 1687 O GLN A 251 40.777 -55.608 7.227 1.00 61.55 O +ATOM 1688 CB GLN A 251 42.438 -53.636 9.007 1.00 62.79 C +ATOM 1689 CG GLN A 251 42.867 -52.293 9.606 1.00 58.12 C +ATOM 1690 CD GLN A 251 43.692 -52.434 10.886 1.00 53.69 C +ATOM 1691 OE1 GLN A 251 43.896 -53.498 11.451 1.00 52.91 O +ATOM 1692 NE2 GLN A 251 44.223 -51.351 11.409 1.00 48.39 N +ATOM 1693 N PRO A 252 42.630 -55.162 6.003 1.00 59.84 N +ATOM 1694 CA PRO A 252 42.661 -56.477 5.367 1.00 64.09 C +ATOM 1695 C PRO A 252 42.703 -57.599 6.414 1.00 60.91 C +ATOM 1696 O PRO A 252 43.458 -57.530 7.383 1.00 58.86 O +ATOM 1697 CB PRO A 252 43.910 -56.492 4.483 1.00 64.17 C +ATOM 1698 CG PRO A 252 44.185 -55.010 4.206 1.00 58.98 C +ATOM 1699 CD PRO A 252 43.700 -54.318 5.474 1.00 59.28 C +ATOM 1700 N GLY A 253 41.923 -58.640 6.188 1.00 57.60 N +ATOM 1701 CA GLY A 253 41.910 -59.813 7.051 1.00 59.74 C +ATOM 1702 C GLY A 253 43.300 -60.458 7.138 1.00 58.49 C +ATOM 1703 O GLY A 253 44.003 -60.567 6.129 1.00 56.57 O +ATOM 1704 N LYS A 254 43.699 -60.844 8.339 1.00 58.66 N +ATOM 1705 CA LYS A 254 44.991 -61.528 8.532 1.00 65.91 C +ATOM 1706 C LYS A 254 44.990 -62.860 7.766 1.00 62.34 C +ATOM 1707 O LYS A 254 44.012 -63.594 7.869 1.00 62.26 O +ATOM 1708 CB LYS A 254 45.285 -61.768 10.018 1.00 64.36 C +ATOM 1709 CG LYS A 254 45.594 -60.470 10.773 1.00 58.62 C +ATOM 1710 CD LYS A 254 45.934 -60.751 12.245 1.00 55.68 C +ATOM 1711 CE LYS A 254 46.247 -59.443 12.989 1.00 52.78 C +ATOM 1712 NZ LYS A 254 46.504 -59.665 14.420 1.00 46.32 N +ATOM 1713 N PRO A 255 46.091 -63.200 7.048 1.00 56.88 N +ATOM 1714 CA PRO A 255 46.216 -64.500 6.395 1.00 62.79 C +ATOM 1715 C PRO A 255 46.051 -65.643 7.414 1.00 58.70 C +ATOM 1716 O PRO A 255 46.618 -65.588 8.505 1.00 57.12 O +ATOM 1717 CB PRO A 255 47.602 -64.530 5.740 1.00 63.72 C +ATOM 1718 CG PRO A 255 47.987 -63.052 5.628 1.00 58.23 C +ATOM 1719 CD PRO A 255 47.282 -62.399 6.815 1.00 59.11 C +ATOM 1720 N GLY A 256 45.278 -66.616 7.022 1.00 56.41 N +ATOM 1721 CA GLY A 256 45.139 -67.829 7.823 1.00 58.34 C +ATOM 1722 C GLY A 256 46.501 -68.505 8.019 1.00 53.98 C +ATOM 1723 O GLY A 256 47.264 -68.643 7.068 1.00 51.57 O +ATOM 1724 N LYS A 257 46.831 -68.869 9.269 1.00 52.26 N +ATOM 1725 CA LYS A 257 48.004 -69.704 9.564 1.00 59.79 C +ATOM 1726 C LYS A 257 47.650 -71.158 9.258 1.00 54.14 C +ATOM 1727 O LYS A 257 46.637 -71.629 9.766 1.00 50.83 O +ATOM 1728 CB LYS A 257 48.445 -69.547 11.021 1.00 58.41 C +ATOM 1729 CG LYS A 257 49.067 -68.176 11.315 1.00 51.94 C +ATOM 1730 CD LYS A 257 49.599 -68.128 12.754 1.00 48.49 C +ATOM 1731 CE LYS A 257 50.317 -66.803 13.034 1.00 45.85 C +ATOM 1732 NZ LYS A 257 50.919 -66.797 14.387 1.00 40.32 N +ATOM 1733 N TYR A 258 48.452 -71.754 8.390 1.00 63.69 N +ATOM 1734 CA TYR A 258 48.498 -73.209 8.248 1.00 66.41 C +ATOM 1735 C TYR A 258 49.194 -73.841 9.444 1.00 55.01 C +ATOM 1736 O TYR A 258 50.137 -73.217 9.969 1.00 48.13 O +ATOM 1737 CB TYR A 258 49.210 -73.586 6.936 1.00 59.81 C +ATOM 1738 CG TYR A 258 48.336 -73.514 5.705 1.00 52.46 C +ATOM 1739 CD1 TYR A 258 47.540 -74.621 5.349 1.00 47.98 C +ATOM 1740 CD2 TYR A 258 48.323 -72.357 4.899 1.00 46.46 C +ATOM 1741 CE1 TYR A 258 46.742 -74.573 4.202 1.00 43.13 C +ATOM 1742 CE2 TYR A 258 47.508 -72.303 3.753 1.00 53.38 C +ATOM 1743 CZ TYR A 258 46.718 -73.419 3.402 1.00 45.91 C +ATOM 1744 OH TYR A 258 45.935 -73.375 2.309 1.00 49.23 O +ATOM 1745 OXT TYR A 258 48.740 -74.966 9.777 1.00 46.17 O +TER 1746 TYR A 258 +END diff --git a/protein_pdb_454.txt b/protein_pdb_454.txt new file mode 100644 index 0000000000000000000000000000000000000000..8d1852a40378c910451b528d5238ddac3f63f74d --- /dev/null +++ b/protein_pdb_454.txt @@ -0,0 +1,163 @@ +ATOM 1 N GLY A 1 15.926 -4.149 -0.480 1.00 91.13 N +ATOM 2 CA GLY A 1 15.216 -3.746 -1.645 1.00 91.53 C +ATOM 3 C GLY A 1 14.206 -2.635 -1.429 1.00 92.14 C +ATOM 4 O GLY A 1 13.915 -2.252 -0.300 1.00 90.32 O +ATOM 5 N PRO A 2 13.676 -2.160 -2.486 1.00 91.43 N +ATOM 6 CA PRO A 2 12.701 -1.084 -2.424 1.00 92.16 C +ATOM 7 C PRO A 2 11.336 -1.584 -2.000 1.00 91.91 C +ATOM 8 O PRO A 2 11.087 -2.785 -1.938 1.00 89.74 O +ATOM 9 CB PRO A 2 12.682 -0.574 -3.860 1.00 88.98 C +ATOM 10 CG PRO A 2 12.966 -1.802 -4.659 1.00 85.91 C +ATOM 11 CD PRO A 2 13.966 -2.581 -3.845 1.00 88.69 C +HETATM 12 N HYP A 3 10.487 -0.632 -1.727 1.00 92.56 N +HETATM 13 CA HYP A 3 9.111 -1.004 -1.391 1.00 90.85 C +HETATM 14 C HYP A 3 8.430 -1.747 -2.503 1.00 93.39 C +HETATM 15 O HYP A 3 8.768 -1.529 -3.687 1.00 94.26 O +HETATM 16 CB HYP A 3 8.452 0.376 -1.153 1.00 89.93 C +HETATM 17 CG HYP A 3 9.614 1.259 -0.708 1.00 87.65 C +HETATM 18 CD HYP A 3 10.783 0.749 -1.588 1.00 90.32 C +HETATM 19 OD1 HYP A 3 9.891 0.983 0.633 1.00 89.33 O +ATOM 20 N GLY A 4 7.578 -2.650 -2.147 1.00 93.03 N +ATOM 21 CA GLY A 4 6.816 -3.377 -3.122 1.00 92.27 C +ATOM 22 C GLY A 4 5.812 -2.468 -3.808 1.00 92.81 C +ATOM 23 O GLY A 4 5.630 -1.311 -3.427 1.00 92.96 O +ATOM 24 N PRO A 5 5.143 -2.978 -4.830 1.00 93.50 N +ATOM 25 CA PRO A 5 4.166 -2.183 -5.553 1.00 93.69 C +ATOM 26 C PRO A 5 2.925 -1.938 -4.717 1.00 93.40 C +ATOM 27 O PRO A 5 2.678 -2.620 -3.731 1.00 92.11 O +ATOM 28 CB PRO A 5 3.854 -3.042 -6.770 1.00 91.64 C +ATOM 29 CG PRO A 5 4.082 -4.432 -6.292 1.00 90.23 C +ATOM 30 CD PRO A 5 5.241 -4.341 -5.349 1.00 92.72 C +HETATM 31 N HYP A 6 2.165 -0.910 -5.143 1.00 93.05 N +HETATM 32 CA HYP A 6 0.900 -0.680 -4.493 1.00 94.08 C +HETATM 33 C HYP A 6 -0.005 -1.855 -4.562 1.00 94.77 C +HETATM 34 O HYP A 6 0.049 -2.658 -5.526 1.00 93.61 O +HETATM 35 CB HYP A 6 0.351 0.528 -5.267 1.00 91.75 C +HETATM 36 CG HYP A 6 1.583 1.236 -5.760 1.00 90.14 C +HETATM 37 CD HYP A 6 2.486 0.084 -6.119 1.00 92.14 C +HETATM 38 OD1 HYP A 6 2.148 1.987 -4.723 1.00 88.79 O +ATOM 39 N GLY A 7 -0.777 -2.045 -3.553 1.00 93.62 N +ATOM 40 CA GLY A 7 -1.744 -3.104 -3.539 1.00 92.76 C +ATOM 41 C GLY A 7 -2.803 -2.888 -4.597 1.00 92.91 C +ATOM 42 O GLY A 7 -2.873 -1.837 -5.229 1.00 92.40 O +ATOM 43 N PRO A 8 -3.643 -3.880 -4.797 1.00 93.04 N +ATOM 44 CA PRO A 8 -4.703 -3.763 -5.784 1.00 92.95 C +ATOM 45 C PRO A 8 -5.691 -2.678 -5.408 1.00 92.52 C +ATOM 46 O PRO A 8 -5.854 -2.347 -4.240 1.00 90.52 O +ATOM 47 CB PRO A 8 -5.383 -5.128 -5.766 1.00 90.78 C +ATOM 48 CG PRO A 8 -4.451 -6.020 -5.056 1.00 89.97 C +ATOM 49 CD PRO A 8 -3.654 -5.174 -4.126 1.00 92.17 C +HETATM 50 N HYP A 9 -6.379 -2.129 -6.425 1.00 93.57 N +HETATM 51 CA HYP A 9 -7.417 -1.193 -6.164 1.00 92.58 C +HETATM 52 C HYP A 9 -8.521 -1.810 -5.393 1.00 93.47 C +HETATM 53 O HYP A 9 -8.851 -2.985 -5.601 1.00 92.38 O +HETATM 54 CB HYP A 9 -7.906 -0.817 -7.588 1.00 91.08 C +HETATM 55 CG HYP A 9 -6.769 -1.077 -8.476 1.00 90.34 C +HETATM 56 CD HYP A 9 -6.079 -2.246 -7.870 1.00 93.14 C +HETATM 57 OD1 HYP A 9 -5.907 0.049 -8.436 1.00 88.43 O +ATOM 58 N GLY A 10 -9.117 -1.127 -4.462 1.00 91.89 N +ATOM 59 CA GLY A 10 -10.341 -1.570 -3.851 1.00 89.47 C +ATOM 60 C GLY A 10 -11.456 -1.492 -4.868 1.00 89.43 C +ATOM 61 O GLY A 10 -11.321 -0.891 -5.928 1.00 88.37 O +ATOM 62 N TRP A 11 -12.573 -2.106 -4.529 1.00 90.92 N +ATOM 63 CA TRP A 11 -13.691 -2.076 -5.465 1.00 90.86 C +ATOM 64 C TRP A 11 -14.131 -0.654 -5.773 1.00 90.27 C +ATOM 65 O TRP A 11 -14.565 -0.367 -6.887 1.00 87.97 O +ATOM 66 CB TRP A 11 -14.859 -2.867 -4.906 1.00 89.49 C +ATOM 67 CG TRP A 11 -14.572 -4.328 -4.766 1.00 85.14 C +ATOM 68 CD1 TRP A 11 -13.511 -5.009 -5.245 1.00 84.08 C +ATOM 69 CD2 TRP A 11 -15.391 -5.299 -4.099 1.00 84.25 C +ATOM 70 NE1 TRP A 11 -13.598 -6.339 -4.927 1.00 77.75 N +ATOM 71 CE2 TRP A 11 -14.750 -6.539 -4.224 1.00 81.18 C +ATOM 72 CE3 TRP A 11 -16.606 -5.233 -3.411 1.00 78.55 C +ATOM 73 CZ2 TRP A 11 -15.282 -7.705 -3.678 1.00 83.68 C +ATOM 74 CZ3 TRP A 11 -17.126 -6.382 -2.877 1.00 77.51 C +ATOM 75 CH2 TRP A 11 -16.474 -7.603 -3.008 1.00 75.82 C +ATOM 76 N GLU A 12 -14.016 0.208 -4.786 1.00 90.30 N +ATOM 77 CA GLU A 12 -14.354 1.619 -4.952 1.00 91.49 C +ATOM 78 C GLU A 12 -13.303 2.487 -4.280 1.00 91.38 C +ATOM 79 O GLU A 12 -13.605 3.574 -3.785 1.00 86.69 O +ATOM 80 CB GLU A 12 -15.733 1.913 -4.368 1.00 88.00 C +ATOM 81 CG GLU A 12 -16.842 1.135 -5.039 1.00 81.25 C +ATOM 82 CD GLU A 12 -18.218 1.425 -4.449 1.00 76.15 C +ATOM 83 OE1 GLU A 12 -18.307 2.286 -3.564 1.00 69.96 O +ATOM 84 OE2 GLU A 12 -19.181 0.780 -4.878 1.00 71.77 O +ATOM 85 N GLY A 13 -12.083 2.033 -4.255 1.00 94.35 N +ATOM 86 CA GLY A 13 -11.051 2.720 -3.510 1.00 93.56 C +ATOM 87 C GLY A 13 -9.716 2.720 -4.204 1.00 94.04 C +ATOM 88 O GLY A 13 -9.533 2.089 -5.244 1.00 93.44 O +ATOM 89 N PRO A 14 -8.781 3.446 -3.629 1.00 95.31 N +ATOM 90 CA PRO A 14 -7.451 3.572 -4.204 1.00 95.37 C +ATOM 91 C PRO A 14 -6.637 2.305 -4.025 1.00 95.31 C +ATOM 92 O PRO A 14 -7.018 1.403 -3.291 1.00 93.89 O +ATOM 93 CB PRO A 14 -6.844 4.730 -3.418 1.00 93.95 C +ATOM 94 CG PRO A 14 -7.482 4.619 -2.086 1.00 92.58 C +ATOM 95 CD PRO A 14 -8.893 4.179 -2.365 1.00 94.31 C +HETATM 96 N HYP A 15 -5.535 2.312 -4.697 1.00 94.98 N +HETATM 97 CA HYP A 15 -4.595 1.221 -4.502 1.00 95.25 C +HETATM 98 C HYP A 15 -4.153 1.122 -3.089 1.00 96.26 C +HETATM 99 O HYP A 15 -4.140 2.136 -2.349 1.00 94.55 O +HETATM 100 CB HYP A 15 -3.452 1.627 -5.452 1.00 92.51 C +HETATM 101 CG HYP A 15 -4.128 2.453 -6.525 1.00 90.83 C +HETATM 102 CD HYP A 15 -5.152 3.245 -5.751 1.00 93.09 C +HETATM 103 OD1 HYP A 15 -4.749 1.617 -7.447 1.00 89.83 O +ATOM 104 N GLY A 16 -3.806 -0.053 -2.688 1.00 95.33 N +ATOM 105 CA GLY A 16 -3.246 -0.231 -1.383 1.00 94.79 C +ATOM 106 C GLY A 16 -1.892 0.435 -1.286 1.00 95.02 C +ATOM 107 O GLY A 16 -1.335 0.908 -2.281 1.00 94.33 O +ATOM 108 N PRO A 17 -1.357 0.479 -0.088 1.00 94.31 N +ATOM 109 CA PRO A 17 -0.051 1.091 0.101 1.00 94.35 C +ATOM 110 C PRO A 17 1.047 0.238 -0.494 1.00 94.51 C +ATOM 111 O PRO A 17 0.849 -0.933 -0.788 1.00 93.23 O +ATOM 112 CB PRO A 17 0.070 1.191 1.622 1.00 92.78 C +ATOM 113 CG PRO A 17 -0.751 0.064 2.117 1.00 91.15 C +ATOM 114 CD PRO A 17 -1.906 -0.043 1.165 1.00 93.14 C +HETATM 115 N HYP A 18 2.214 0.875 -0.681 1.00 92.26 N +HETATM 116 CA HYP A 18 3.328 0.117 -1.116 1.00 91.58 C +HETATM 117 C HYP A 18 3.653 -1.018 -0.208 1.00 94.27 C +HETATM 118 O HYP A 18 3.423 -0.943 1.014 1.00 93.04 O +HETATM 119 CB HYP A 18 4.439 1.178 -1.154 1.00 89.45 C +HETATM 120 CG HYP A 18 3.696 2.483 -1.387 1.00 88.12 C +HETATM 121 CD HYP A 18 2.445 2.287 -0.581 1.00 92.05 C +HETATM 122 OD1 HYP A 18 3.377 2.594 -2.755 1.00 88.46 O +ATOM 123 N GLY A 19 4.138 -2.072 -0.763 1.00 92.33 N +ATOM 124 CA GLY A 19 4.574 -3.185 0.029 1.00 91.98 C +ATOM 125 C GLY A 19 5.775 -2.812 0.872 1.00 91.91 C +ATOM 126 O GLY A 19 6.364 -1.746 0.710 1.00 92.49 O +ATOM 127 N PRO A 20 6.136 -3.689 1.780 1.00 91.43 N +ATOM 128 CA PRO A 20 7.288 -3.419 2.629 1.00 91.98 C +ATOM 129 C PRO A 20 8.580 -3.469 1.834 1.00 91.44 C +ATOM 130 O PRO A 20 8.635 -4.028 0.744 1.00 90.97 O +ATOM 131 CB PRO A 20 7.224 -4.532 3.666 1.00 89.57 C +ATOM 132 CG PRO A 20 6.517 -5.632 2.972 1.00 87.24 C +ATOM 133 CD PRO A 20 5.524 -4.975 2.063 1.00 91.13 C +HETATM 134 N HYP A 21 9.608 -2.859 2.402 1.00 93.97 N +HETATM 135 CA HYP A 21 10.887 -2.929 1.785 1.00 90.29 C +HETATM 136 C HYP A 21 11.378 -4.328 1.589 1.00 93.29 C +HETATM 137 O HYP A 21 11.099 -5.196 2.435 1.00 93.60 O +HETATM 138 CB HYP A 21 11.798 -2.135 2.709 1.00 89.43 C +HETATM 139 CG HYP A 21 10.871 -1.159 3.419 1.00 87.13 C +HETATM 140 CD HYP A 21 9.591 -1.956 3.567 1.00 91.81 C +HETATM 141 OD1 HYP A 21 10.629 -0.058 2.557 1.00 87.52 O +ATOM 142 N GLY A 22 11.998 -4.599 0.495 1.00 90.83 N +ATOM 143 CA GLY A 22 12.617 -5.870 0.283 1.00 88.79 C +ATOM 144 C GLY A 22 13.800 -6.032 1.226 1.00 87.80 C +ATOM 145 O GLY A 22 14.206 -5.086 1.898 1.00 87.46 O +ATOM 146 N PRO A 23 14.376 -7.217 1.278 1.00 93.02 N +ATOM 147 CA PRO A 23 15.523 -7.442 2.144 1.00 93.08 C +ATOM 148 C PRO A 23 16.757 -6.766 1.557 1.00 91.22 C +ATOM 149 O PRO A 23 17.329 -7.252 0.585 1.00 87.60 O +ATOM 150 CB PRO A 23 15.649 -8.961 2.164 1.00 90.43 C +ATOM 151 CG PRO A 23 15.063 -9.387 0.872 1.00 87.24 C +ATOM 152 CD PRO A 23 13.968 -8.401 0.554 1.00 91.38 C +HETATM 153 N HYP A 24 17.117 -5.649 1.972 1.00 94.98 N +HETATM 154 CA HYP A 24 17.866 -4.560 1.253 1.00 89.40 C +HETATM 155 C HYP A 24 17.364 -3.983 0.129 1.00 93.56 C +HETATM 156 O HYP A 24 17.543 -2.673 -0.170 1.00 91.79 O +HETATM 157 CB HYP A 24 18.444 -3.749 2.382 1.00 88.45 C +HETATM 158 CG HYP A 24 18.672 -4.774 3.494 1.00 86.93 C +HETATM 159 CD HYP A 24 17.537 -5.802 3.297 1.00 92.32 C +HETATM 160 OD1 HYP A 24 18.611 -4.191 4.766 1.00 89.17 O +HETATM 161 OXT HYP A 24 17.883 -4.480 -0.995 1.00 87.35 O +TER 162 HYP A 24 +END diff --git a/protein_pdb_455.txt b/protein_pdb_455.txt new file mode 100644 index 0000000000000000000000000000000000000000..c5017be8714ea00a27892147d55f563b77a69a46 --- /dev/null +++ b/protein_pdb_455.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 -4.035 14.746 1.925 1.00 93.83 N +ATOM 2 CA GLY A 1 -4.210 13.528 2.630 1.00 94.14 C +ATOM 3 C GLY A 1 -2.924 12.786 2.925 1.00 94.74 C +ATOM 4 O GLY A 1 -1.869 13.098 2.382 1.00 93.67 O +ATOM 5 N PRO A 2 -3.013 11.821 3.753 1.00 94.33 N +ATOM 6 CA PRO A 2 -1.859 11.035 4.120 1.00 94.38 C +ATOM 7 C PRO A 2 -1.497 10.038 3.029 1.00 94.43 C +ATOM 8 O PRO A 2 -2.269 9.810 2.109 1.00 93.46 O +ATOM 9 CB PRO A 2 -2.327 10.324 5.383 1.00 92.30 C +ATOM 10 CG PRO A 2 -3.778 10.146 5.144 1.00 89.56 C +ATOM 11 CD PRO A 2 -4.221 11.401 4.440 1.00 92.50 C +HETATM 12 N HYP A 3 -0.319 9.485 3.174 1.00 94.76 N +HETATM 13 CA HYP A 3 0.087 8.455 2.217 1.00 92.49 C +HETATM 14 C HYP A 3 -0.866 7.293 2.216 1.00 94.98 C +HETATM 15 O HYP A 3 -1.461 6.997 3.269 1.00 95.58 O +HETATM 16 CB HYP A 3 1.470 8.012 2.796 1.00 92.32 C +HETATM 17 CG HYP A 3 1.977 9.223 3.548 1.00 90.37 C +HETATM 18 CD HYP A 3 0.679 9.806 4.145 1.00 92.77 C +HETATM 19 OD1 HYP A 3 2.488 10.133 2.616 1.00 91.51 O +ATOM 20 N GLY A 4 -1.051 6.710 1.070 1.00 94.72 N +ATOM 21 CA GLY A 4 -1.898 5.558 0.964 1.00 94.08 C +ATOM 22 C GLY A 4 -1.301 4.376 1.699 1.00 94.52 C +ATOM 23 O GLY A 4 -0.132 4.382 2.078 1.00 94.74 O +ATOM 24 N PRO A 5 -2.106 3.342 1.908 1.00 94.51 N +ATOM 25 CA PRO A 5 -1.617 2.164 2.609 1.00 94.36 C +ATOM 26 C PRO A 5 -0.650 1.375 1.745 1.00 94.21 C +ATOM 27 O PRO A 5 -0.616 1.529 0.532 1.00 93.50 O +ATOM 28 CB PRO A 5 -2.887 1.372 2.883 1.00 92.87 C +ATOM 29 CG PRO A 5 -3.773 1.743 1.750 1.00 91.06 C +ATOM 30 CD PRO A 5 -3.490 3.194 1.485 1.00 93.78 C +HETATM 31 N HYP A 6 0.138 0.547 2.399 1.00 95.16 N +HETATM 32 CA HYP A 6 1.003 -0.342 1.663 1.00 95.29 C +HETATM 33 C HYP A 6 0.214 -1.239 0.750 1.00 95.97 C +HETATM 34 O HYP A 6 -0.946 -1.585 1.062 1.00 95.16 O +HETATM 35 CB HYP A 6 1.663 -1.171 2.799 1.00 91.55 C +HETATM 36 CG HYP A 6 1.608 -0.276 3.988 1.00 91.65 C +HETATM 37 CD HYP A 6 0.269 0.421 3.830 1.00 93.52 C +HETATM 38 OD1 HYP A 6 2.631 0.682 3.906 1.00 91.76 O +ATOM 39 N GLY A 7 0.786 -1.536 -0.358 1.00 95.32 N +ATOM 40 CA GLY A 7 0.166 -2.456 -1.269 1.00 94.79 C +ATOM 41 C GLY A 7 0.030 -3.819 -0.637 1.00 95.34 C +ATOM 42 O GLY A 7 0.655 -4.118 0.385 1.00 95.18 O +ATOM 43 N PRO A 8 -0.782 -4.664 -1.225 1.00 95.30 N +ATOM 44 CA PRO A 8 -0.963 -5.994 -0.671 1.00 94.99 C +ATOM 45 C PRO A 8 0.261 -6.853 -0.898 1.00 95.21 C +ATOM 46 O PRO A 8 1.071 -6.589 -1.782 1.00 94.23 O +ATOM 47 CB PRO A 8 -2.165 -6.533 -1.432 1.00 93.17 C +ATOM 48 CG PRO A 8 -2.078 -5.841 -2.740 1.00 91.90 C +ATOM 49 CD PRO A 8 -1.571 -4.455 -2.421 1.00 93.97 C +HETATM 50 N HYP A 9 0.372 -7.908 -0.080 1.00 94.45 N +HETATM 51 CA HYP A 9 1.434 -8.809 -0.275 1.00 93.25 C +HETATM 52 C HYP A 9 1.289 -9.507 -1.597 1.00 94.95 C +HETATM 53 O HYP A 9 0.148 -9.811 -2.012 1.00 94.21 O +HETATM 54 CB HYP A 9 1.248 -9.865 0.869 1.00 91.01 C +HETATM 55 CG HYP A 9 0.468 -9.157 1.904 1.00 90.62 C +HETATM 56 CD HYP A 9 -0.416 -8.250 1.148 1.00 93.27 C +HETATM 57 OD1 HYP A 9 1.348 -8.368 2.678 1.00 90.13 O +ATOM 58 N GLY A 10 2.328 -9.718 -2.342 1.00 93.86 N +ATOM 59 CA GLY A 10 2.285 -10.545 -3.521 1.00 92.47 C +ATOM 60 C GLY A 10 2.115 -11.994 -3.102 1.00 92.80 C +ATOM 61 O GLY A 10 2.079 -12.319 -1.915 1.00 91.35 O +ATOM 62 N TRP A 11 2.025 -12.853 -4.090 1.00 91.70 N +ATOM 63 CA TRP A 11 1.915 -14.266 -3.747 1.00 91.73 C +ATOM 64 C TRP A 11 3.134 -14.733 -2.969 1.00 91.35 C +ATOM 65 O TRP A 11 3.027 -15.605 -2.113 1.00 90.37 O +ATOM 66 CB TRP A 11 1.753 -15.109 -5.007 1.00 91.24 C +ATOM 67 CG TRP A 11 0.443 -14.904 -5.692 1.00 85.89 C +ATOM 68 CD1 TRP A 11 -0.654 -14.258 -5.225 1.00 84.61 C +ATOM 69 CD2 TRP A 11 0.081 -15.379 -7.004 1.00 85.88 C +ATOM 70 NE1 TRP A 11 -1.661 -14.295 -6.136 1.00 79.41 N +ATOM 71 CE2 TRP A 11 -1.238 -14.977 -7.236 1.00 83.69 C +ATOM 72 CE3 TRP A 11 0.760 -16.103 -7.983 1.00 80.81 C +ATOM 73 CZ2 TRP A 11 -1.910 -15.280 -8.426 1.00 86.87 C +ATOM 74 CZ3 TRP A 11 0.095 -16.402 -9.160 1.00 78.70 C +ATOM 75 CH2 TRP A 11 -1.213 -15.994 -9.377 1.00 78.04 C +ATOM 76 N THR A 12 4.283 -14.129 -3.274 1.00 93.06 N +ATOM 77 CA THR A 12 5.516 -14.447 -2.564 1.00 93.10 C +ATOM 78 C THR A 12 6.280 -13.203 -2.141 1.00 93.22 C +ATOM 79 O THR A 12 7.056 -13.252 -1.184 1.00 90.24 O +ATOM 80 CB THR A 12 6.443 -15.316 -3.430 1.00 90.83 C +ATOM 81 OG1 THR A 12 6.769 -14.605 -4.618 1.00 87.48 O +ATOM 82 CG2 THR A 12 5.767 -16.623 -3.809 1.00 84.73 C +ATOM 83 N GLY A 13 6.097 -12.110 -2.847 1.00 95.19 N +ATOM 84 CA GLY A 13 6.854 -10.905 -2.586 1.00 94.53 C +ATOM 85 C GLY A 13 6.350 -10.102 -1.409 1.00 95.10 C +ATOM 86 O GLY A 13 5.324 -10.422 -0.803 1.00 95.01 O +ATOM 87 N PRO A 14 7.072 -9.035 -1.078 1.00 95.90 N +ATOM 88 CA PRO A 14 6.713 -8.182 0.045 1.00 95.67 C +ATOM 89 C PRO A 14 5.535 -7.284 -0.295 1.00 95.82 C +ATOM 90 O PRO A 14 5.117 -7.189 -1.440 1.00 94.85 O +ATOM 91 CB PRO A 14 7.979 -7.363 0.267 1.00 94.30 C +ATOM 92 CG PRO A 14 8.552 -7.235 -1.098 1.00 92.79 C +ATOM 93 CD PRO A 14 8.275 -8.561 -1.758 1.00 94.71 C +HETATM 94 N HYP A 15 5.045 -6.609 0.741 1.00 95.35 N +HETATM 95 CA HYP A 15 3.990 -5.666 0.501 1.00 95.28 C +HETATM 96 C HYP A 15 4.441 -4.570 -0.419 1.00 96.39 C +HETATM 97 O HYP A 15 5.652 -4.218 -0.440 1.00 95.39 O +HETATM 98 CB HYP A 15 3.744 -5.122 1.937 1.00 93.42 C +HETATM 99 CG HYP A 15 4.195 -6.243 2.841 1.00 92.56 C +HETATM 100 CD HYP A 15 5.388 -6.786 2.129 1.00 94.37 C +HETATM 101 OD1 HYP A 15 3.200 -7.226 2.922 1.00 92.12 O +ATOM 102 N GLY A 16 3.527 -4.078 -1.193 1.00 96.14 N +ATOM 103 CA GLY A 16 3.834 -2.977 -2.062 1.00 95.87 C +ATOM 104 C GLY A 16 4.125 -1.724 -1.268 1.00 96.14 C +ATOM 105 O GLY A 16 3.893 -1.667 -0.061 1.00 95.97 O +ATOM 106 N PRO A 17 4.630 -0.703 -1.951 1.00 95.23 N +ATOM 107 CA PRO A 17 4.946 0.544 -1.271 1.00 94.97 C +ATOM 108 C PRO A 17 3.685 1.304 -0.902 1.00 95.31 C +ATOM 109 O PRO A 17 2.614 1.056 -1.451 1.00 94.43 O +ATOM 110 CB PRO A 17 5.770 1.302 -2.307 1.00 93.81 C +ATOM 111 CG PRO A 17 5.244 0.802 -3.599 1.00 92.22 C +ATOM 112 CD PRO A 17 4.944 -0.643 -3.373 1.00 94.04 C +HETATM 113 N HYP A 18 3.825 2.246 0.038 1.00 92.78 N +HETATM 114 CA HYP A 18 2.735 3.077 0.352 1.00 91.47 C +HETATM 115 C HYP A 18 2.285 3.894 -0.831 1.00 93.97 C +HETATM 116 O HYP A 18 3.114 4.242 -1.694 1.00 93.42 O +HETATM 117 CB HYP A 18 3.338 4.017 1.439 1.00 90.22 C +HETATM 118 CG HYP A 18 4.450 3.215 2.054 1.00 89.35 C +HETATM 119 CD HYP A 18 4.989 2.467 0.856 1.00 92.29 C +HETATM 120 OD1 HYP A 18 3.897 2.279 2.970 1.00 89.45 O +ATOM 121 N GLY A 19 1.025 4.136 -0.909 1.00 92.23 N +ATOM 122 CA GLY A 19 0.502 4.952 -1.964 1.00 91.68 C +ATOM 123 C GLY A 19 0.953 6.387 -1.815 1.00 91.94 C +ATOM 124 O GLY A 19 1.511 6.774 -0.789 1.00 92.64 O +ATOM 125 N PRO A 20 0.720 7.196 -2.845 1.00 91.71 N +ATOM 126 CA PRO A 20 1.114 8.591 -2.782 1.00 91.57 C +ATOM 127 C PRO A 20 0.236 9.363 -1.819 1.00 91.41 C +ATOM 128 O PRO A 20 -0.861 8.931 -1.472 1.00 91.87 O +ATOM 129 CB PRO A 20 0.915 9.068 -4.212 1.00 89.65 C +ATOM 130 CG PRO A 20 -0.178 8.204 -4.724 1.00 86.86 C +ATOM 131 CD PRO A 20 0.062 6.862 -4.095 1.00 89.92 C +HETATM 132 N HYP A 21 0.765 10.511 -1.383 1.00 93.05 N +HETATM 133 CA HYP A 21 -0.040 11.359 -0.544 1.00 90.97 C +HETATM 134 C HYP A 21 -1.309 11.800 -1.222 1.00 93.68 C +HETATM 135 O HYP A 21 -1.311 11.984 -2.430 1.00 93.99 O +HETATM 136 CB HYP A 21 0.863 12.539 -0.235 1.00 90.69 C +HETATM 137 CG HYP A 21 2.254 11.997 -0.388 1.00 88.68 C +HETATM 138 CD HYP A 21 2.127 11.011 -1.521 1.00 91.40 C +HETATM 139 OD1 HYP A 21 2.591 11.272 0.800 1.00 87.84 O +ATOM 140 N GLY A 22 -2.382 11.871 -0.494 1.00 91.72 N +ATOM 141 CA GLY A 22 -3.622 12.341 -1.034 1.00 89.76 C +ATOM 142 C GLY A 22 -3.554 13.840 -1.279 1.00 89.83 C +ATOM 143 O GLY A 22 -2.596 14.504 -0.882 1.00 89.78 O +ATOM 144 N PRO A 23 -4.576 14.418 -1.914 1.00 94.12 N +ATOM 145 CA PRO A 23 -4.598 15.848 -2.168 1.00 93.26 C +ATOM 146 C PRO A 23 -4.897 16.596 -0.875 1.00 92.10 C +ATOM 147 O PRO A 23 -6.028 16.610 -0.411 1.00 89.25 O +ATOM 148 CB PRO A 23 -5.710 16.006 -3.192 1.00 90.87 C +ATOM 149 CG PRO A 23 -6.623 14.874 -2.903 1.00 88.31 C +ATOM 150 CD PRO A 23 -5.742 13.739 -2.447 1.00 92.34 C +HETATM 151 N HYP A 24 -3.938 17.070 -0.209 1.00 96.17 N +HETATM 152 CA HYP A 24 -3.676 17.314 1.245 1.00 92.20 C +HETATM 153 C HYP A 24 -3.760 16.345 2.189 1.00 95.57 C +HETATM 154 O HYP A 24 -2.788 16.182 3.070 1.00 94.43 O +HETATM 155 CB HYP A 24 -3.455 18.727 1.444 1.00 91.67 C +HETATM 156 CG HYP A 24 -3.835 19.382 0.127 1.00 91.72 C +HETATM 157 CD HYP A 24 -4.051 18.225 -0.880 1.00 94.29 C +HETATM 158 OD1 HYP A 24 -2.790 20.190 -0.366 1.00 90.79 O +HETATM 159 OXT HYP A 24 -4.786 16.333 3.077 1.00 89.58 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_456.txt b/protein_pdb_456.txt new file mode 100644 index 0000000000000000000000000000000000000000..76c4c4acaa525e98933f3cd4963e60be6b031045 --- /dev/null +++ b/protein_pdb_456.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 7.777 -6.934 -10.561 1.00 90.34 N +ATOM 2 CA GLY A 1 7.418 -5.547 -10.697 1.00 91.30 C +ATOM 3 C GLY A 1 7.690 -4.760 -9.430 1.00 91.90 C +ATOM 4 O GLY A 1 8.059 -5.329 -8.406 1.00 89.94 O +ATOM 5 N PRO A 2 7.472 -3.477 -9.473 1.00 89.31 N +ATOM 6 CA PRO A 2 7.713 -2.623 -8.318 1.00 89.57 C +ATOM 7 C PRO A 2 6.641 -2.793 -7.254 1.00 89.51 C +ATOM 8 O PRO A 2 5.575 -3.341 -7.503 1.00 87.39 O +ATOM 9 CB PRO A 2 7.681 -1.220 -8.914 1.00 86.50 C +ATOM 10 CG PRO A 2 6.781 -1.352 -10.091 1.00 83.13 C +ATOM 11 CD PRO A 2 7.034 -2.719 -10.643 1.00 83.94 C +HETATM 12 N HYP A 3 6.963 -2.302 -6.063 1.00 88.57 N +HETATM 13 CA HYP A 3 5.962 -2.329 -4.995 1.00 85.05 C +HETATM 14 C HYP A 3 4.758 -1.499 -5.350 1.00 88.07 C +HETATM 15 O HYP A 3 4.870 -0.528 -6.131 1.00 92.19 O +HETATM 16 CB HYP A 3 6.739 -1.644 -3.816 1.00 87.72 C +HETATM 17 CG HYP A 3 8.178 -1.971 -4.094 1.00 85.53 C +HETATM 18 CD HYP A 3 8.251 -1.854 -5.640 1.00 88.82 C +HETATM 19 OD1 HYP A 3 8.410 -3.289 -3.711 1.00 86.45 O +ATOM 20 N GLY A 4 3.621 -1.953 -4.867 1.00 91.54 N +ATOM 21 CA GLY A 4 2.401 -1.230 -5.105 1.00 90.55 C +ATOM 22 C GLY A 4 2.401 0.112 -4.405 1.00 90.92 C +ATOM 23 O GLY A 4 3.282 0.413 -3.600 1.00 91.33 O +ATOM 24 N PRO A 5 1.409 0.937 -4.707 1.00 89.91 N +ATOM 25 CA PRO A 5 1.323 2.245 -4.086 1.00 88.97 C +ATOM 26 C PRO A 5 0.916 2.144 -2.625 1.00 89.00 C +ATOM 27 O PRO A 5 0.402 1.121 -2.180 1.00 87.62 O +ATOM 28 CB PRO A 5 0.251 2.951 -4.912 1.00 86.85 C +ATOM 29 CG PRO A 5 -0.614 1.844 -5.385 1.00 85.60 C +ATOM 30 CD PRO A 5 0.305 0.689 -5.632 1.00 88.00 C +HETATM 31 N HYP A 6 1.169 3.228 -1.901 1.00 92.67 N +HETATM 32 CA HYP A 6 0.723 3.273 -0.530 1.00 92.65 C +HETATM 33 C HYP A 6 -0.765 3.138 -0.413 1.00 93.39 C +HETATM 34 O HYP A 6 -1.515 3.561 -1.331 1.00 90.96 O +HETATM 35 CB HYP A 6 1.158 4.722 -0.116 1.00 87.69 C +HETATM 36 CG HYP A 6 2.320 5.021 -1.012 1.00 87.37 C +HETATM 37 CD HYP A 6 1.885 4.404 -2.329 1.00 91.25 C +HETATM 38 OD1 HYP A 6 3.458 4.340 -0.528 1.00 88.93 O +ATOM 39 N GLY A 7 -1.175 2.483 0.629 1.00 91.11 N +ATOM 40 CA GLY A 7 -2.582 2.322 0.870 1.00 89.96 C +ATOM 41 C GLY A 7 -3.250 3.655 1.159 1.00 90.70 C +ATOM 42 O GLY A 7 -2.595 4.683 1.310 1.00 90.41 O +ATOM 43 N PRO A 8 -4.565 3.636 1.232 1.00 90.50 N +ATOM 44 CA PRO A 8 -5.295 4.861 1.509 1.00 90.36 C +ATOM 45 C PRO A 8 -5.116 5.301 2.950 1.00 90.71 C +ATOM 46 O PRO A 8 -4.759 4.512 3.821 1.00 89.34 O +ATOM 47 CB PRO A 8 -6.742 4.480 1.224 1.00 87.74 C +ATOM 48 CG PRO A 8 -6.789 3.022 1.520 1.00 86.36 C +ATOM 49 CD PRO A 8 -5.451 2.485 1.091 1.00 87.96 C +HETATM 50 N HYP A 9 -5.369 6.577 3.198 1.00 91.18 N +HETATM 51 CA HYP A 9 -5.335 7.078 4.530 1.00 88.89 C +HETATM 52 C HYP A 9 -6.401 6.458 5.382 1.00 91.59 C +HETATM 53 O HYP A 9 -7.470 6.075 4.871 1.00 90.26 O +HETATM 54 CB HYP A 9 -5.680 8.606 4.339 1.00 83.87 C +HETATM 55 CG HYP A 9 -5.273 8.901 2.948 1.00 84.45 C +HETATM 56 CD HYP A 9 -5.598 7.652 2.196 1.00 89.83 C +HETATM 57 OD1 HYP A 9 -3.871 9.097 2.937 1.00 84.09 O +ATOM 58 N GLY A 10 -6.161 6.278 6.627 1.00 91.68 N +ATOM 59 CA GLY A 10 -7.222 5.951 7.553 1.00 88.65 C +ATOM 60 C GLY A 10 -8.167 7.129 7.663 1.00 88.84 C +ATOM 61 O GLY A 10 -8.032 8.133 6.969 1.00 87.70 O +ATOM 62 N VAL A 11 -9.141 7.021 8.559 1.00 90.14 N +ATOM 63 CA VAL A 11 -10.097 8.113 8.706 1.00 90.78 C +ATOM 64 C VAL A 11 -9.383 9.445 8.919 1.00 90.77 C +ATOM 65 O VAL A 11 -9.706 10.444 8.276 1.00 89.47 O +ATOM 66 CB VAL A 11 -11.094 7.813 9.834 1.00 88.23 C +ATOM 67 CG1 VAL A 11 -12.029 8.989 10.046 1.00 82.41 C +ATOM 68 CG2 VAL A 11 -11.895 6.570 9.495 1.00 82.96 C +ATOM 69 N LEU A 12 -8.396 9.445 9.793 1.00 91.64 N +ATOM 70 CA LEU A 12 -7.513 10.600 9.983 1.00 92.88 C +ATOM 71 C LEU A 12 -6.086 10.118 10.163 1.00 93.14 C +ATOM 72 O LEU A 12 -5.321 10.663 10.959 1.00 89.87 O +ATOM 73 CB LEU A 12 -7.956 11.442 11.187 1.00 90.37 C +ATOM 74 CG LEU A 12 -9.220 12.290 11.007 1.00 84.56 C +ATOM 75 CD1 LEU A 12 -9.610 12.925 12.318 1.00 83.06 C +ATOM 76 CD2 LEU A 12 -9.007 13.368 9.946 1.00 79.41 C +ATOM 77 N GLY A 13 -5.713 9.092 9.424 1.00 94.26 N +ATOM 78 CA GLY A 13 -4.444 8.431 9.633 1.00 93.67 C +ATOM 79 C GLY A 13 -3.546 8.452 8.420 1.00 94.21 C +ATOM 80 O GLY A 13 -3.931 8.924 7.349 1.00 94.31 O +ATOM 81 N PRO A 14 -2.344 7.948 8.587 1.00 93.53 N +ATOM 82 CA PRO A 14 -1.383 7.920 7.494 1.00 93.27 C +ATOM 83 C PRO A 14 -1.767 6.891 6.442 1.00 93.42 C +ATOM 84 O PRO A 14 -2.579 6.012 6.679 1.00 91.82 O +ATOM 85 CB PRO A 14 -0.077 7.533 8.182 1.00 91.62 C +ATOM 86 CG PRO A 14 -0.520 6.707 9.336 1.00 90.84 C +ATOM 87 CD PRO A 14 -1.811 7.330 9.796 1.00 91.84 C +HETATM 88 N HYP A 15 -1.138 7.065 5.307 1.00 91.78 N +HETATM 89 CA HYP A 15 -1.293 6.054 4.266 1.00 92.85 C +HETATM 90 C HYP A 15 -0.825 4.709 4.687 1.00 93.15 C +HETATM 91 O HYP A 15 0.073 4.611 5.556 1.00 93.75 O +HETATM 92 CB HYP A 15 -0.373 6.648 3.152 1.00 88.91 C +HETATM 93 CG HYP A 15 -0.357 8.139 3.422 1.00 88.11 C +HETATM 94 CD HYP A 15 -0.349 8.216 4.923 1.00 91.55 C +HETATM 95 OD1 HYP A 15 -1.515 8.734 2.905 1.00 89.90 O +ATOM 96 N GLY A 16 -1.448 3.701 4.168 1.00 93.84 N +ATOM 97 CA GLY A 16 -1.014 2.357 4.430 1.00 93.19 C +ATOM 98 C GLY A 16 0.333 2.083 3.791 1.00 93.63 C +ATOM 99 O GLY A 16 0.867 2.900 3.047 1.00 93.26 O +ATOM 100 N PRO A 17 0.890 0.912 4.091 1.00 92.52 N +ATOM 101 CA PRO A 17 2.184 0.556 3.527 1.00 91.96 C +ATOM 102 C PRO A 17 2.083 0.258 2.042 1.00 92.42 C +ATOM 103 O PRO A 17 1.003 -0.010 1.519 1.00 90.60 O +ATOM 104 CB PRO A 17 2.579 -0.686 4.320 1.00 90.25 C +ATOM 105 CG PRO A 17 1.280 -1.289 4.703 1.00 89.31 C +ATOM 106 CD PRO A 17 0.346 -0.137 4.945 1.00 90.69 C +HETATM 107 N HYP A 18 3.232 0.330 1.372 1.00 87.65 N +HETATM 108 CA HYP A 18 3.275 -0.070 0.003 1.00 85.57 C +HETATM 109 C HYP A 18 2.847 -1.489 -0.196 1.00 89.85 C +HETATM 110 O HYP A 18 3.024 -2.344 0.694 1.00 88.50 O +HETATM 111 CB HYP A 18 4.789 0.070 -0.323 1.00 84.50 C +HETATM 112 CG HYP A 18 5.268 1.137 0.628 1.00 84.40 C +HETATM 113 CD HYP A 18 4.483 0.812 1.884 1.00 89.07 C +HETATM 114 OD1 HYP A 18 4.878 2.417 0.145 1.00 87.58 O +ATOM 115 N GLY A 19 2.224 -1.746 -1.312 1.00 86.52 N +ATOM 116 CA GLY A 19 1.842 -3.085 -1.661 1.00 85.96 C +ATOM 117 C GLY A 19 3.057 -3.954 -1.938 1.00 86.42 C +ATOM 118 O GLY A 19 4.178 -3.463 -2.023 1.00 87.53 O +ATOM 119 N PRO A 20 2.825 -5.246 -2.077 1.00 78.31 N +ATOM 120 CA PRO A 20 3.920 -6.157 -2.357 1.00 78.48 C +ATOM 121 C PRO A 20 4.439 -5.975 -3.776 1.00 78.31 C +ATOM 122 O PRO A 20 3.772 -5.400 -4.626 1.00 80.28 O +ATOM 123 CB PRO A 20 3.286 -7.531 -2.165 1.00 76.80 C +ATOM 124 CG PRO A 20 1.853 -7.308 -2.487 1.00 74.55 C +ATOM 125 CD PRO A 20 1.539 -5.919 -2.009 1.00 74.42 C +HETATM 126 N HYP A 21 5.653 -6.472 -3.995 1.00 86.66 N +HETATM 127 CA HYP A 21 6.188 -6.455 -5.331 1.00 84.89 C +HETATM 128 C HYP A 21 5.320 -7.167 -6.334 1.00 86.79 C +HETATM 129 O HYP A 21 4.666 -8.151 -5.991 1.00 90.32 O +HETATM 130 CB HYP A 21 7.534 -7.189 -5.204 1.00 85.16 C +HETATM 131 CG HYP A 21 7.924 -6.992 -3.780 1.00 80.00 C +HETATM 132 CD HYP A 21 6.614 -7.055 -3.041 1.00 87.41 C +HETATM 133 OD1 HYP A 21 8.459 -5.672 -3.613 1.00 82.83 O +ATOM 134 N GLY A 22 5.207 -6.606 -7.504 1.00 85.04 N +ATOM 135 CA GLY A 22 4.492 -7.249 -8.569 1.00 81.48 C +ATOM 136 C GLY A 22 5.270 -8.446 -9.091 1.00 80.80 C +ATOM 137 O GLY A 22 6.387 -8.719 -8.648 1.00 81.01 O +ATOM 138 N PRO A 23 4.692 -9.173 -10.036 1.00 88.83 N +ATOM 139 CA PRO A 23 5.385 -10.323 -10.592 1.00 88.08 C +ATOM 140 C PRO A 23 6.592 -9.880 -11.394 1.00 86.64 C +ATOM 141 O PRO A 23 6.498 -8.982 -12.225 1.00 83.58 O +ATOM 142 CB PRO A 23 4.327 -10.984 -11.470 1.00 84.56 C +ATOM 143 CG PRO A 23 3.417 -9.871 -11.842 1.00 81.91 C +ATOM 144 CD PRO A 23 3.402 -8.944 -10.656 1.00 84.27 C +HETATM 145 N HYP A 24 7.685 -10.395 -11.155 1.00 92.29 N +HETATM 146 CA HYP A 24 8.956 -9.843 -11.725 1.00 86.81 C +HETATM 147 C HYP A 24 9.056 -8.426 -11.798 1.00 90.36 C +HETATM 148 O HYP A 24 10.133 -7.784 -11.561 1.00 88.99 O +HETATM 149 CB HYP A 24 9.738 -10.867 -12.176 1.00 87.35 C +HETATM 150 CG HYP A 24 8.940 -12.151 -11.955 1.00 86.08 C +HETATM 151 CD HYP A 24 7.657 -11.773 -11.208 1.00 89.89 C +HETATM 152 OD1 HYP A 24 9.647 -13.048 -11.132 1.00 85.51 O +HETATM 153 OXT HYP A 24 8.284 -7.755 -12.490 1.00 87.76 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_457.txt b/protein_pdb_457.txt new file mode 100644 index 0000000000000000000000000000000000000000..c95d47377cab102720f2d7a3727c47092e0fe9cd --- /dev/null +++ b/protein_pdb_457.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 10.903 1.149 9.760 1.00 87.91 N +ATOM 2 CA GLY A 1 11.030 1.703 8.417 1.00 89.94 C +ATOM 3 C GLY A 1 9.742 2.355 7.983 1.00 90.93 C +ATOM 4 O GLY A 1 8.746 2.305 8.698 1.00 88.89 O +ATOM 5 N PRO A 2 9.722 2.966 6.797 1.00 90.21 N +ATOM 6 CA PRO A 2 8.527 3.647 6.317 1.00 91.39 C +ATOM 7 C PRO A 2 7.429 2.688 5.919 1.00 91.03 C +ATOM 8 O PRO A 2 7.667 1.515 5.668 1.00 89.51 O +ATOM 9 CB PRO A 2 9.045 4.455 5.126 1.00 89.18 C +ATOM 10 CG PRO A 2 10.160 3.615 4.603 1.00 85.14 C +ATOM 11 CD PRO A 2 10.828 3.081 5.841 1.00 87.21 C +HETATM 12 N HYP A 3 6.236 3.211 5.896 1.00 89.57 N +HETATM 13 CA HYP A 3 5.125 2.410 5.410 1.00 89.55 C +HETATM 14 C HYP A 3 5.347 1.939 3.996 1.00 89.35 C +HETATM 15 O HYP A 3 5.997 2.642 3.196 1.00 92.23 O +HETATM 16 CB HYP A 3 3.933 3.462 5.387 1.00 87.87 C +HETATM 17 CG HYP A 3 4.311 4.474 6.447 1.00 85.45 C +HETATM 18 CD HYP A 3 5.870 4.565 6.278 1.00 88.23 C +HETATM 19 OD1 HYP A 3 4.011 3.934 7.702 1.00 87.21 O +ATOM 20 N GLY A 4 4.890 0.733 3.721 1.00 92.30 N +ATOM 21 CA GLY A 4 5.008 0.201 2.394 1.00 91.85 C +ATOM 22 C GLY A 4 4.105 0.954 1.439 1.00 92.24 C +ATOM 23 O GLY A 4 3.252 1.737 1.847 1.00 92.68 O +ATOM 24 N PRO A 5 4.295 0.720 0.142 1.00 92.60 N +ATOM 25 CA PRO A 5 3.473 1.405 -0.850 1.00 92.78 C +ATOM 26 C PRO A 5 2.048 0.888 -0.845 1.00 92.21 C +ATOM 27 O PRO A 5 1.761 -0.181 -0.326 1.00 91.20 O +ATOM 28 CB PRO A 5 4.186 1.088 -2.163 1.00 91.72 C +ATOM 29 CG PRO A 5 4.808 -0.242 -1.905 1.00 89.85 C +ATOM 30 CD PRO A 5 5.264 -0.176 -0.473 1.00 91.84 C +HETATM 31 N HYP A 6 1.136 1.701 -1.408 1.00 91.69 N +HETATM 32 CA HYP A 6 -0.210 1.245 -1.543 1.00 93.65 C +HETATM 33 C HYP A 6 -0.286 -0.014 -2.349 1.00 92.66 C +HETATM 34 O HYP A 6 0.535 -0.237 -3.257 1.00 93.10 O +HETATM 35 CB HYP A 6 -0.872 2.424 -2.331 1.00 88.72 C +HETATM 36 CG HYP A 6 -0.071 3.624 -1.940 1.00 87.86 C +HETATM 37 CD HYP A 6 1.363 3.056 -1.889 1.00 90.48 C +HETATM 38 OD1 HYP A 6 -0.469 4.063 -0.665 1.00 87.92 O +ATOM 39 N GLY A 7 -1.206 -0.888 -2.004 1.00 92.21 N +ATOM 40 CA GLY A 7 -1.395 -2.111 -2.730 1.00 91.56 C +ATOM 41 C GLY A 7 -1.868 -1.810 -4.137 1.00 92.02 C +ATOM 42 O GLY A 7 -2.271 -0.698 -4.456 1.00 92.11 O +ATOM 43 N PRO A 8 -1.813 -2.812 -4.995 1.00 91.32 N +ATOM 44 CA PRO A 8 -2.240 -2.609 -6.369 1.00 91.06 C +ATOM 45 C PRO A 8 -3.742 -2.452 -6.466 1.00 91.11 C +ATOM 46 O PRO A 8 -4.488 -2.887 -5.599 1.00 88.91 O +ATOM 47 CB PRO A 8 -1.748 -3.866 -7.079 1.00 89.27 C +ATOM 48 CG PRO A 8 -1.790 -4.900 -6.008 1.00 88.03 C +ATOM 49 CD PRO A 8 -1.350 -4.171 -4.761 1.00 90.16 C +HETATM 50 N HYP A 9 -4.182 -1.819 -7.561 1.00 89.67 N +HETATM 51 CA HYP A 9 -5.554 -1.665 -7.765 1.00 92.09 C +HETATM 52 C HYP A 9 -6.194 -3.008 -8.029 1.00 89.35 C +HETATM 53 O HYP A 9 -5.562 -3.909 -8.602 1.00 89.47 O +HETATM 54 CB HYP A 9 -5.630 -0.858 -9.110 1.00 86.06 C +HETATM 55 CG HYP A 9 -4.320 -0.181 -9.232 1.00 85.47 C +HETATM 56 CD HYP A 9 -3.348 -1.123 -8.573 1.00 88.24 C +HETATM 57 OD1 HYP A 9 -4.343 1.006 -8.489 1.00 84.28 O +ATOM 58 N GLY A 10 -7.389 -3.239 -7.564 1.00 90.73 N +ATOM 59 CA GLY A 10 -8.114 -4.416 -7.966 1.00 88.47 C +ATOM 60 C GLY A 10 -8.498 -4.166 -9.412 1.00 88.35 C +ATOM 61 O GLY A 10 -8.021 -3.222 -10.043 1.00 87.18 O +ATOM 62 N HIS A 11 -9.345 -4.977 -9.943 1.00 90.34 N +ATOM 63 CA HIS A 11 -9.780 -4.715 -11.313 1.00 92.66 C +ATOM 64 C HIS A 11 -10.652 -3.470 -11.266 1.00 92.83 C +ATOM 65 O HIS A 11 -11.863 -3.546 -11.101 1.00 90.36 O +ATOM 66 CB HIS A 11 -10.544 -5.920 -11.857 1.00 91.16 C +ATOM 67 CG HIS A 11 -9.663 -7.105 -12.107 1.00 86.69 C +ATOM 68 ND1 HIS A 11 -10.145 -8.336 -12.469 1.00 81.45 N +ATOM 69 CD2 HIS A 11 -8.325 -7.231 -12.043 1.00 78.04 C +ATOM 70 CE1 HIS A 11 -9.136 -9.173 -12.624 1.00 79.69 C +ATOM 71 NE2 HIS A 11 -8.016 -8.524 -12.375 1.00 80.44 N +ATOM 72 N SER A 12 -9.997 -2.325 -11.343 1.00 89.00 N +ATOM 73 CA SER A 12 -10.569 -0.985 -11.229 1.00 90.46 C +ATOM 74 C SER A 12 -10.875 -0.610 -9.783 1.00 91.58 C +ATOM 75 O SER A 12 -11.353 0.483 -9.516 1.00 86.78 O +ATOM 76 CB SER A 12 -11.828 -0.811 -12.097 1.00 86.52 C +ATOM 77 OG SER A 12 -12.959 -1.347 -11.458 1.00 80.26 O +ATOM 78 N GLY A 13 -10.581 -1.490 -8.865 1.00 93.41 N +ATOM 79 CA GLY A 13 -10.800 -1.194 -7.460 1.00 92.41 C +ATOM 80 C GLY A 13 -9.739 -0.245 -6.949 1.00 93.27 C +ATOM 81 O GLY A 13 -8.730 -0.002 -7.613 1.00 93.09 O +ATOM 82 N PRO A 14 -9.943 0.321 -5.769 1.00 93.33 N +ATOM 83 CA PRO A 14 -8.978 1.263 -5.219 1.00 93.07 C +ATOM 84 C PRO A 14 -7.690 0.576 -4.805 1.00 93.31 C +ATOM 85 O PRO A 14 -7.653 -0.624 -4.566 1.00 91.80 O +ATOM 86 CB PRO A 14 -9.706 1.867 -4.028 1.00 91.73 C +ATOM 87 CG PRO A 14 -10.616 0.774 -3.587 1.00 90.60 C +ATOM 88 CD PRO A 14 -11.081 0.132 -4.870 1.00 92.06 C +HETATM 89 N HYP A 15 -6.646 1.398 -4.725 1.00 93.07 N +HETATM 90 CA HYP A 15 -5.401 0.860 -4.245 1.00 93.06 C +HETATM 91 C HYP A 15 -5.552 0.356 -2.841 1.00 93.98 C +HETATM 92 O HYP A 15 -6.408 0.889 -2.083 1.00 92.72 O +HETATM 93 CB HYP A 15 -4.503 2.117 -4.274 1.00 90.29 C +HETATM 94 CG HYP A 15 -5.107 3.008 -5.346 1.00 88.76 C +HETATM 95 CD HYP A 15 -6.593 2.778 -5.164 1.00 91.46 C +HETATM 96 OD1 HYP A 15 -4.702 2.568 -6.611 1.00 88.66 O +ATOM 97 N GLY A 16 -4.803 -0.650 -2.499 1.00 94.93 N +ATOM 98 CA GLY A 16 -4.818 -1.147 -1.153 1.00 94.55 C +ATOM 99 C GLY A 16 -4.175 -0.137 -0.231 1.00 94.94 C +ATOM 100 O GLY A 16 -3.561 0.834 -0.672 1.00 94.71 O +ATOM 101 N PRO A 17 -4.312 -0.355 1.073 1.00 92.41 N +ATOM 102 CA PRO A 17 -3.712 0.563 2.034 1.00 92.05 C +ATOM 103 C PRO A 17 -2.198 0.449 2.035 1.00 92.23 C +ATOM 104 O PRO A 17 -1.634 -0.533 1.562 1.00 90.83 O +ATOM 105 CB PRO A 17 -4.320 0.123 3.361 1.00 91.07 C +ATOM 106 CG PRO A 17 -4.577 -1.335 3.155 1.00 89.49 C +ATOM 107 CD PRO A 17 -5.023 -1.445 1.726 1.00 90.81 C +HETATM 108 N HYP A 18 -1.534 1.491 2.587 1.00 89.89 N +HETATM 109 CA HYP A 18 -0.136 1.391 2.718 1.00 88.56 C +HETATM 110 C HYP A 18 0.266 0.190 3.533 1.00 90.27 C +HETATM 111 O HYP A 18 -0.471 -0.210 4.450 1.00 89.05 O +HETATM 112 CB HYP A 18 0.238 2.686 3.480 1.00 86.28 C +HETATM 113 CG HYP A 18 -0.845 3.665 3.079 1.00 85.24 C +HETATM 114 CD HYP A 18 -2.075 2.761 3.008 1.00 89.34 C +HETATM 115 OD1 HYP A 18 -0.561 4.175 1.785 1.00 85.65 O +ATOM 116 N GLY A 19 1.358 -0.411 3.167 1.00 89.74 N +ATOM 117 CA GLY A 19 1.855 -1.540 3.896 1.00 89.87 C +ATOM 118 C GLY A 19 2.298 -1.115 5.281 1.00 90.14 C +ATOM 119 O GLY A 19 2.415 0.073 5.576 1.00 90.65 O +ATOM 120 N PRO A 20 2.552 -2.083 6.144 1.00 81.40 N +ATOM 121 CA PRO A 20 2.999 -1.763 7.490 1.00 82.07 C +ATOM 122 C PRO A 20 4.415 -1.217 7.478 1.00 81.34 C +ATOM 123 O PRO A 20 5.158 -1.393 6.521 1.00 82.46 O +ATOM 124 CB PRO A 20 2.910 -3.105 8.206 1.00 80.32 C +ATOM 125 CG PRO A 20 3.156 -4.094 7.124 1.00 75.60 C +ATOM 126 CD PRO A 20 2.446 -3.523 5.928 1.00 75.94 C +HETATM 127 N HYP A 21 4.764 -0.531 8.551 1.00 87.46 N +HETATM 128 CA HYP A 21 6.114 -0.080 8.661 1.00 84.69 C +HETATM 129 C HYP A 21 7.122 -1.207 8.594 1.00 88.45 C +HETATM 130 O HYP A 21 6.824 -2.303 9.035 1.00 90.58 O +HETATM 131 CB HYP A 21 6.152 0.600 10.043 1.00 84.12 C +HETATM 132 CG HYP A 21 4.729 1.043 10.286 1.00 80.43 C +HETATM 133 CD HYP A 21 3.916 -0.082 9.660 1.00 86.62 C +HETATM 134 OD1 HYP A 21 4.467 2.239 9.557 1.00 81.56 O +ATOM 135 N GLY A 22 8.221 -0.963 7.959 1.00 87.14 N +ATOM 136 CA GLY A 22 9.261 -1.940 7.894 1.00 84.75 C +ATOM 137 C GLY A 22 9.895 -2.080 9.275 1.00 84.04 C +ATOM 138 O GLY A 22 9.534 -1.377 10.212 1.00 84.49 O +ATOM 139 N PRO A 23 10.857 -2.982 9.421 1.00 89.70 N +ATOM 140 CA PRO A 23 11.508 -3.140 10.712 1.00 89.85 C +ATOM 141 C PRO A 23 12.232 -1.863 11.087 1.00 88.50 C +ATOM 142 O PRO A 23 12.906 -1.252 10.266 1.00 85.27 O +ATOM 143 CB PRO A 23 12.452 -4.318 10.496 1.00 87.06 C +ATOM 144 CG PRO A 23 12.656 -4.367 9.037 1.00 83.69 C +ATOM 145 CD PRO A 23 11.375 -3.889 8.421 1.00 86.42 C +HETATM 146 N HYP A 24 12.076 -1.418 12.243 1.00 90.47 N +HETATM 147 CA HYP A 24 12.631 -0.105 12.532 1.00 83.53 C +HETATM 148 C HYP A 24 12.184 0.938 11.542 1.00 90.95 C +HETATM 149 O HYP A 24 13.106 1.592 11.039 1.00 84.74 O +HETATM 150 CB HYP A 24 12.211 0.177 13.942 1.00 84.36 C +HETATM 151 CG HYP A 24 11.761 -1.171 14.548 1.00 84.06 C +HETATM 152 CD HYP A 24 11.714 -2.152 13.374 1.00 88.79 C +HETATM 153 OD1 HYP A 24 12.740 -1.634 15.415 1.00 83.50 O +HETATM 154 OXT HYP A 24 10.945 1.234 11.414 1.00 84.40 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_458.txt b/protein_pdb_458.txt new file mode 100644 index 0000000000000000000000000000000000000000..b6fefdfe0c5306cf60198cefd8b994f57d771929 --- /dev/null +++ b/protein_pdb_458.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -0.020 -14.592 -7.936 1.00 91.14 N +ATOM 2 CA GLY A 1 -0.424 -13.354 -8.516 1.00 91.32 C +ATOM 3 C GLY A 1 0.575 -12.228 -8.359 1.00 92.43 C +ATOM 4 O GLY A 1 1.612 -12.390 -7.724 1.00 91.19 O +ATOM 5 N PRO A 2 0.252 -11.119 -8.920 1.00 90.81 N +ATOM 6 CA PRO A 2 1.125 -9.964 -8.893 1.00 91.06 C +ATOM 7 C PRO A 2 1.110 -9.253 -7.549 1.00 90.82 C +ATOM 8 O PRO A 2 0.273 -9.533 -6.693 1.00 88.86 O +ATOM 9 CB PRO A 2 0.542 -9.081 -9.995 1.00 88.69 C +ATOM 10 CG PRO A 2 -0.910 -9.403 -9.972 1.00 85.64 C +ATOM 11 CD PRO A 2 -0.984 -10.867 -9.656 1.00 87.86 C +HETATM 12 N HYP A 3 2.050 -8.349 -7.416 1.00 90.85 N +HETATM 13 CA HYP A 3 2.070 -7.532 -6.194 1.00 92.46 C +HETATM 14 C HYP A 3 0.788 -6.789 -5.991 1.00 92.49 C +HETATM 15 O HYP A 3 0.116 -6.418 -6.980 1.00 92.90 O +HETATM 16 CB HYP A 3 3.275 -6.602 -6.456 1.00 89.65 C +HETATM 17 CG HYP A 3 4.167 -7.394 -7.404 1.00 87.81 C +HETATM 18 CD HYP A 3 3.145 -8.114 -8.299 1.00 89.65 C +HETATM 19 OD1 HYP A 3 4.875 -8.335 -6.653 1.00 88.95 O +ATOM 20 N GLY A 4 0.414 -6.605 -4.768 1.00 93.22 N +ATOM 21 CA GLY A 4 -0.756 -5.847 -4.432 1.00 93.09 C +ATOM 22 C GLY A 4 -0.564 -4.375 -4.748 1.00 94.11 C +ATOM 23 O GLY A 4 0.522 -3.937 -5.123 1.00 94.23 O +ATOM 24 N PRO A 5 -1.622 -3.600 -4.591 1.00 92.50 N +ATOM 25 CA PRO A 5 -1.546 -2.175 -4.877 1.00 92.79 C +ATOM 26 C PRO A 5 -0.725 -1.432 -3.836 1.00 92.60 C +ATOM 27 O PRO A 5 -0.502 -1.923 -2.734 1.00 91.90 O +ATOM 28 CB PRO A 5 -3.013 -1.736 -4.852 1.00 91.26 C +ATOM 29 CG PRO A 5 -3.658 -2.700 -3.926 1.00 88.91 C +ATOM 30 CD PRO A 5 -2.954 -4.005 -4.147 1.00 91.35 C +HETATM 31 N HYP A 6 -0.252 -0.245 -4.216 1.00 92.85 N +HETATM 32 CA HYP A 6 0.424 0.621 -3.266 1.00 95.48 C +HETATM 33 C HYP A 6 -0.389 0.930 -2.059 1.00 92.68 C +HETATM 34 O HYP A 6 -1.638 0.991 -2.141 1.00 94.71 O +HETATM 35 CB HYP A 6 0.685 1.873 -4.111 1.00 91.74 C +HETATM 36 CG HYP A 6 0.769 1.349 -5.518 1.00 90.08 C +HETATM 37 CD HYP A 6 -0.267 0.285 -5.527 1.00 91.89 C +HETATM 38 OD1 HYP A 6 2.031 0.790 -5.734 1.00 90.03 O +ATOM 39 N GLY A 7 0.250 1.028 -0.946 1.00 93.44 N +ATOM 40 CA GLY A 7 -0.412 1.387 0.272 1.00 93.37 C +ATOM 41 C GLY A 7 -0.982 2.791 0.193 1.00 93.91 C +ATOM 42 O GLY A 7 -0.717 3.539 -0.747 1.00 93.90 O +ATOM 43 N PRO A 8 -1.778 3.149 1.171 1.00 93.81 N +ATOM 44 CA PRO A 8 -2.395 4.469 1.167 1.00 93.89 C +ATOM 45 C PRO A 8 -1.373 5.566 1.423 1.00 93.41 C +ATOM 46 O PRO A 8 -0.330 5.344 2.031 1.00 91.46 O +ATOM 47 CB PRO A 8 -3.421 4.387 2.291 1.00 92.19 C +ATOM 48 CG PRO A 8 -2.858 3.369 3.211 1.00 90.79 C +ATOM 49 CD PRO A 8 -2.167 2.365 2.335 1.00 93.15 C +HETATM 50 N HYP A 9 -1.698 6.759 0.971 1.00 93.38 N +HETATM 51 CA HYP A 9 -0.841 7.884 1.191 1.00 93.37 C +HETATM 52 C HYP A 9 -0.782 8.233 2.646 1.00 92.89 C +HETATM 53 O HYP A 9 -1.724 8.067 3.396 1.00 93.07 O +HETATM 54 CB HYP A 9 -1.627 9.031 0.495 1.00 89.98 C +HETATM 55 CG HYP A 9 -2.549 8.395 -0.439 1.00 88.55 C +HETATM 56 CD HYP A 9 -2.871 7.093 0.180 1.00 91.56 C +HETATM 57 OD1 HYP A 9 -1.865 8.152 -1.649 1.00 89.95 O +ATOM 58 N GLY A 10 0.329 8.731 3.081 1.00 92.36 N +ATOM 59 CA GLY A 10 0.394 9.381 4.361 1.00 91.06 C +ATOM 60 C GLY A 10 -0.276 10.743 4.255 1.00 91.79 C +ATOM 61 O GLY A 10 -0.824 11.105 3.213 1.00 90.55 O +ATOM 62 N MET A 11 -0.235 11.507 5.318 1.00 92.78 N +ATOM 63 CA MET A 11 -0.790 12.860 5.270 1.00 93.63 C +ATOM 64 C MET A 11 0.061 13.689 4.311 1.00 93.84 C +ATOM 65 O MET A 11 1.112 14.206 4.680 1.00 90.24 O +ATOM 66 CB MET A 11 -0.802 13.490 6.658 1.00 91.42 C +ATOM 67 CG MET A 11 -1.865 12.898 7.567 1.00 86.55 C +ATOM 68 SD MET A 11 -3.521 13.362 7.089 1.00 81.36 S +ATOM 69 CE MET A 11 -3.584 15.035 7.723 1.00 75.05 C +ATOM 70 N GLY A 12 -0.388 13.778 3.067 1.00 92.25 N +ATOM 71 CA GLY A 12 0.376 14.437 2.023 1.00 92.72 C +ATOM 72 C GLY A 12 1.572 13.642 1.562 1.00 93.99 C +ATOM 73 O GLY A 12 2.380 14.145 0.782 1.00 90.69 O +ATOM 74 N GLY A 13 1.683 12.410 2.024 1.00 94.04 N +ATOM 75 CA GLY A 13 2.826 11.583 1.701 1.00 93.43 C +ATOM 76 C GLY A 13 2.575 10.651 0.538 1.00 94.26 C +ATOM 77 O GLY A 13 1.473 10.589 -0.007 1.00 93.73 O +ATOM 78 N PRO A 14 3.601 9.920 0.143 1.00 94.53 N +ATOM 79 CA PRO A 14 3.501 9.019 -0.996 1.00 94.57 C +ATOM 80 C PRO A 14 2.749 7.747 -0.648 1.00 94.70 C +ATOM 81 O PRO A 14 2.584 7.392 0.514 1.00 93.62 O +ATOM 82 CB PRO A 14 4.956 8.714 -1.329 1.00 93.10 C +ATOM 83 CG PRO A 14 5.640 8.796 -0.008 1.00 91.38 C +ATOM 84 CD PRO A 14 4.942 9.911 0.734 1.00 92.73 C +HETATM 85 N HYP A 15 2.306 7.106 -1.689 1.00 92.89 N +HETATM 86 CA HYP A 15 1.731 5.785 -1.515 1.00 94.85 C +HETATM 87 C HYP A 15 2.673 4.842 -0.882 1.00 94.99 C +HETATM 88 O HYP A 15 3.906 4.959 -1.047 1.00 93.86 O +HETATM 89 CB HYP A 15 1.401 5.423 -2.982 1.00 91.23 C +HETATM 90 CG HYP A 15 1.199 6.758 -3.662 1.00 88.27 C +HETATM 91 CD HYP A 15 2.250 7.614 -3.035 1.00 91.42 C +HETATM 92 OD1 HYP A 15 -0.076 7.258 -3.385 1.00 90.05 O +ATOM 93 N GLY A 16 2.160 3.889 -0.176 1.00 94.43 N +ATOM 94 CA GLY A 16 2.976 2.843 0.378 1.00 94.68 C +ATOM 95 C GLY A 16 3.506 1.932 -0.706 1.00 95.40 C +ATOM 96 O GLY A 16 3.161 2.065 -1.882 1.00 95.29 O +ATOM 97 N PRO A 17 4.352 0.996 -0.315 1.00 93.84 N +ATOM 98 CA PRO A 17 4.918 0.073 -1.285 1.00 93.87 C +ATOM 99 C PRO A 17 3.879 -0.916 -1.795 1.00 94.32 C +ATOM 100 O PRO A 17 2.831 -1.101 -1.186 1.00 93.46 O +ATOM 101 CB PRO A 17 6.032 -0.628 -0.502 1.00 92.32 C +ATOM 102 CG PRO A 17 5.616 -0.512 0.913 1.00 90.41 C +ATOM 103 CD PRO A 17 4.854 0.768 1.036 1.00 92.43 C +HETATM 104 N HYP A 18 4.177 -1.523 -2.947 1.00 91.65 N +HETATM 105 CA HYP A 18 3.328 -2.568 -3.443 1.00 94.59 C +HETATM 106 C HYP A 18 3.134 -3.661 -2.470 1.00 92.98 C +HETATM 107 O HYP A 18 4.044 -3.968 -1.679 1.00 93.71 O +HETATM 108 CB HYP A 18 4.085 -3.013 -4.703 1.00 89.88 C +HETATM 109 CG HYP A 18 4.826 -1.786 -5.129 1.00 88.86 C +HETATM 110 CD HYP A 18 5.248 -1.185 -3.832 1.00 91.95 C +HETATM 111 OD1 HYP A 18 3.958 -0.913 -5.814 1.00 90.60 O +ATOM 112 N GLY A 19 1.973 -4.225 -2.466 1.00 93.12 N +ATOM 113 CA GLY A 19 1.681 -5.342 -1.609 1.00 93.25 C +ATOM 114 C GLY A 19 2.479 -6.563 -2.010 1.00 93.72 C +ATOM 115 O GLY A 19 3.160 -6.577 -3.038 1.00 94.14 O +ATOM 116 N PRO A 20 2.392 -7.600 -1.200 1.00 92.82 N +ATOM 117 CA PRO A 20 3.114 -8.825 -1.507 1.00 92.86 C +ATOM 118 C PRO A 20 2.512 -9.532 -2.705 1.00 92.51 C +ATOM 119 O PRO A 20 1.384 -9.260 -3.097 1.00 91.58 O +ATOM 120 CB PRO A 20 2.958 -9.644 -0.230 1.00 91.17 C +ATOM 121 CG PRO A 20 1.676 -9.164 0.348 1.00 88.95 C +ATOM 122 CD PRO A 20 1.602 -7.705 0.016 1.00 91.22 C +HETATM 123 N HYP A 21 3.295 -10.424 -3.286 1.00 93.85 N +HETATM 124 CA HYP A 21 2.774 -11.228 -4.364 1.00 94.36 C +HETATM 125 C HYP A 21 1.531 -11.973 -3.993 1.00 93.49 C +HETATM 126 O HYP A 21 1.438 -12.449 -2.856 1.00 93.96 O +HETATM 127 CB HYP A 21 3.921 -12.143 -4.711 1.00 90.27 C +HETATM 128 CG HYP A 21 5.147 -11.396 -4.283 1.00 88.07 C +HETATM 129 CD HYP A 21 4.702 -10.690 -3.055 1.00 91.95 C +HETATM 130 OD1 HYP A 21 5.501 -10.446 -5.267 1.00 88.78 O +ATOM 131 N GLY A 22 0.596 -12.010 -4.889 1.00 93.42 N +ATOM 132 CA GLY A 22 -0.616 -12.736 -4.666 1.00 92.89 C +ATOM 133 C GLY A 22 -0.350 -14.228 -4.622 1.00 93.52 C +ATOM 134 O GLY A 22 0.757 -14.684 -4.908 1.00 92.74 O +ATOM 135 N PRO A 23 -1.367 -15.011 -4.290 1.00 94.30 N +ATOM 136 CA PRO A 23 -1.214 -16.460 -4.242 1.00 94.26 C +ATOM 137 C PRO A 23 -1.199 -17.036 -5.646 1.00 93.54 C +ATOM 138 O PRO A 23 -2.248 -17.202 -6.264 1.00 90.60 O +ATOM 139 CB PRO A 23 -2.434 -16.904 -3.445 1.00 91.74 C +ATOM 140 CG PRO A 23 -3.451 -15.858 -3.720 1.00 88.36 C +ATOM 141 CD PRO A 23 -2.691 -14.567 -3.917 1.00 91.81 C +HETATM 142 N HYP A 24 -0.080 -17.215 -6.220 1.00 93.18 N +HETATM 143 CA HYP A 24 0.221 -17.237 -7.652 1.00 89.23 C +HETATM 144 C HYP A 24 -0.205 -16.118 -8.410 1.00 92.65 C +HETATM 145 O HYP A 24 -0.070 -16.076 -9.704 1.00 89.34 O +HETATM 146 CB HYP A 24 1.100 -18.233 -7.974 1.00 88.10 C +HETATM 147 CG HYP A 24 1.078 -19.155 -6.726 1.00 86.07 C +HETATM 148 CD HYP A 24 0.190 -18.446 -5.687 1.00 89.93 C +HETATM 149 OD1 HYP A 24 2.374 -19.215 -6.159 1.00 88.23 O +HETATM 150 OXT HYP A 24 -1.478 -16.008 -8.477 1.00 85.58 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_459.txt b/protein_pdb_459.txt new file mode 100644 index 0000000000000000000000000000000000000000..7ae047c325c428c799a6ce2a64c5b1c701176eb6 --- /dev/null +++ b/protein_pdb_459.txt @@ -0,0 +1,190 @@ +ATOM 1 N GLY A 1 6.389 9.657 -48.702 1.00 93.92 N +ATOM 2 CA GLY A 1 5.398 10.345 -47.862 1.00 94.62 C +ATOM 3 C GLY A 1 5.940 10.612 -46.470 1.00 95.11 C +ATOM 4 O GLY A 1 6.987 10.078 -46.111 1.00 93.76 O +ATOM 5 N PRO A 2 5.237 11.418 -45.679 1.00 97.29 N +ATOM 6 CA PRO A 2 5.696 11.729 -44.323 1.00 97.60 C +ATOM 7 C PRO A 2 5.616 10.511 -43.399 1.00 97.87 C +ATOM 8 O PRO A 2 4.837 9.580 -43.645 1.00 97.06 O +ATOM 9 CB PRO A 2 4.758 12.849 -43.880 1.00 95.91 C +ATOM 10 CG PRO A 2 3.500 12.545 -44.623 1.00 92.57 C +ATOM 11 CD PRO A 2 3.981 12.113 -45.983 1.00 94.39 C +ATOM 12 N ALA A 3 6.399 10.537 -42.330 1.00 97.15 N +ATOM 13 CA ALA A 3 6.384 9.451 -41.360 1.00 97.33 C +ATOM 14 C ALA A 3 5.052 9.431 -40.621 1.00 97.45 C +ATOM 15 O ALA A 3 4.402 10.462 -40.443 1.00 96.14 O +ATOM 16 CB ALA A 3 7.527 9.619 -40.363 1.00 95.51 C +ATOM 17 N GLY A 4 4.637 8.250 -40.204 1.00 98.06 N +ATOM 18 CA GLY A 4 3.391 8.123 -39.477 1.00 97.78 C +ATOM 19 C GLY A 4 3.499 8.699 -38.069 1.00 98.04 C +ATOM 20 O GLY A 4 4.596 9.022 -37.608 1.00 98.19 O +ATOM 21 N PRO A 5 2.367 8.823 -37.363 1.00 98.19 N +ATOM 22 CA PRO A 5 2.367 9.370 -36.006 1.00 98.03 C +ATOM 23 C PRO A 5 3.013 8.404 -35.012 1.00 98.27 C +ATOM 24 O PRO A 5 3.097 7.195 -35.263 1.00 98.03 O +ATOM 25 CB PRO A 5 0.885 9.585 -35.707 1.00 96.98 C +ATOM 26 CG PRO A 5 0.230 8.497 -36.496 1.00 95.04 C +ATOM 27 CD PRO A 5 1.013 8.478 -37.797 1.00 97.14 C +ATOM 28 N ALA A 6 3.435 8.948 -33.874 1.00 98.06 N +ATOM 29 CA ALA A 6 4.033 8.124 -32.830 1.00 97.93 C +ATOM 30 C ALA A 6 2.979 7.187 -32.249 1.00 98.18 C +ATOM 31 O ALA A 6 1.783 7.505 -32.240 1.00 97.43 O +ATOM 32 CB ALA A 6 4.612 9.008 -31.731 1.00 96.76 C +ATOM 33 N GLY A 7 3.414 6.038 -31.768 1.00 98.35 N +ATOM 34 CA GLY A 7 2.489 5.082 -31.187 1.00 98.16 C +ATOM 35 C GLY A 7 1.960 5.570 -29.844 1.00 98.30 C +ATOM 36 O GLY A 7 2.441 6.559 -29.292 1.00 98.40 O +ATOM 37 N PRO A 8 0.966 4.866 -29.297 1.00 98.59 N +ATOM 38 CA PRO A 8 0.385 5.264 -28.011 1.00 98.51 C +ATOM 39 C PRO A 8 1.343 5.015 -26.854 1.00 98.60 C +ATOM 40 O PRO A 8 2.271 4.213 -26.945 1.00 98.43 O +ATOM 41 CB PRO A 8 -0.869 4.388 -27.906 1.00 97.98 C +ATOM 42 CG PRO A 8 -0.464 3.153 -28.646 1.00 96.44 C +ATOM 43 CD PRO A 8 0.303 3.685 -29.838 1.00 98.05 C +ATOM 44 N VAL A 9 1.089 5.721 -25.742 1.00 98.44 N +ATOM 45 CA VAL A 9 1.898 5.555 -24.536 1.00 98.33 C +ATOM 46 C VAL A 9 1.615 4.166 -23.963 1.00 98.42 C +ATOM 47 O VAL A 9 0.477 3.687 -24.003 1.00 98.14 O +ATOM 48 CB VAL A 9 1.555 6.639 -23.494 1.00 97.71 C +ATOM 49 CG1 VAL A 9 2.331 6.412 -22.210 1.00 92.40 C +ATOM 50 CG2 VAL A 9 1.861 8.019 -24.060 1.00 92.59 C +ATOM 51 N GLY A 10 2.653 3.521 -23.435 1.00 98.47 N +ATOM 52 CA GLY A 10 2.489 2.196 -22.872 1.00 98.32 C +ATOM 53 C GLY A 10 1.656 2.210 -21.591 1.00 98.42 C +ATOM 54 O GLY A 10 1.379 3.269 -21.031 1.00 98.53 O +ATOM 55 N PRO A 11 1.269 1.025 -21.119 1.00 98.68 N +ATOM 56 CA PRO A 11 0.456 0.935 -19.903 1.00 98.53 C +ATOM 57 C PRO A 11 1.253 1.301 -18.654 1.00 98.65 C +ATOM 58 O PRO A 11 2.484 1.268 -18.647 1.00 98.39 O +ATOM 59 CB PRO A 11 0.025 -0.527 -19.884 1.00 98.00 C +ATOM 60 CG PRO A 11 1.173 -1.224 -20.537 1.00 96.84 C +ATOM 61 CD PRO A 11 1.548 -0.296 -21.681 1.00 98.13 C +ATOM 62 N ALA A 12 0.531 1.647 -17.581 1.00 98.55 N +ATOM 63 CA ALA A 12 1.167 1.988 -16.324 1.00 98.51 C +ATOM 64 C ALA A 12 1.833 0.754 -15.732 1.00 98.57 C +ATOM 65 O ALA A 12 1.417 -0.375 -15.991 1.00 97.91 O +ATOM 66 CB ALA A 12 0.133 2.545 -15.335 1.00 97.84 C +ATOM 67 N GLY A 13 2.874 0.976 -14.939 1.00 98.25 N +ATOM 68 CA GLY A 13 3.584 -0.132 -14.318 1.00 98.13 C +ATOM 69 C GLY A 13 2.721 -0.838 -13.286 1.00 98.28 C +ATOM 70 O GLY A 13 1.717 -0.307 -12.820 1.00 98.25 O +ATOM 71 N ALA A 14 3.130 -2.051 -12.943 1.00 98.42 N +ATOM 72 CA ALA A 14 2.390 -2.843 -11.960 1.00 98.30 C +ATOM 73 C ALA A 14 2.506 -2.234 -10.569 1.00 98.48 C +ATOM 74 O ALA A 14 3.497 -1.587 -10.232 1.00 97.87 O +ATOM 75 CB ALA A 14 2.922 -4.270 -11.943 1.00 97.73 C +ATOM 76 N ARG A 15 1.480 -2.457 -9.744 1.00 98.49 N +ATOM 77 CA ARG A 15 1.477 -1.971 -8.375 1.00 98.46 C +ATOM 78 C ARG A 15 2.540 -2.734 -7.581 1.00 98.30 C +ATOM 79 O ARG A 15 2.734 -3.932 -7.785 1.00 97.86 O +ATOM 80 CB ARG A 15 0.092 -2.174 -7.750 1.00 97.67 C +ATOM 81 CG ARG A 15 -0.010 -1.683 -6.325 1.00 95.32 C +ATOM 82 CD ARG A 15 -1.425 -1.866 -5.788 1.00 92.53 C +ATOM 83 NE ARG A 15 -2.391 -1.086 -6.546 1.00 87.72 N +ATOM 84 CZ ARG A 15 -3.700 -1.157 -6.390 1.00 84.09 C +ATOM 85 NH1 ARG A 15 -4.227 -1.979 -5.498 1.00 81.74 N +ATOM 86 NH2 ARG A 15 -4.500 -0.408 -7.140 1.00 81.09 N +ATOM 87 N GLY A 16 3.196 -2.023 -6.670 1.00 98.31 N +ATOM 88 CA GLY A 16 4.213 -2.651 -5.854 1.00 98.11 C +ATOM 89 C GLY A 16 3.617 -3.665 -4.889 1.00 98.22 C +ATOM 90 O GLY A 16 2.403 -3.710 -4.698 1.00 98.23 O +ATOM 91 N PRO A 17 4.468 -4.491 -4.263 1.00 98.36 N +ATOM 92 CA PRO A 17 3.979 -5.508 -3.325 1.00 98.22 C +ATOM 93 C PRO A 17 3.446 -4.880 -2.040 1.00 98.35 C +ATOM 94 O PRO A 17 3.789 -3.747 -1.691 1.00 98.15 O +ATOM 95 CB PRO A 17 5.219 -6.364 -3.061 1.00 97.43 C +ATOM 96 CG PRO A 17 6.337 -5.388 -3.198 1.00 96.14 C +ATOM 97 CD PRO A 17 5.931 -4.546 -4.393 1.00 97.62 C +ATOM 98 N ALA A 18 2.598 -5.625 -1.348 1.00 98.29 N +ATOM 99 CA ALA A 18 2.048 -5.150 -0.089 1.00 98.21 C +ATOM 100 C ALA A 18 3.159 -5.066 0.952 1.00 98.39 C +ATOM 101 O ALA A 18 4.123 -5.833 0.905 1.00 97.64 O +ATOM 102 CB ALA A 18 0.952 -6.095 0.402 1.00 97.28 C +ATOM 103 N GLY A 19 3.013 -4.146 1.899 1.00 98.26 N +ATOM 104 CA GLY A 19 4.003 -3.996 2.948 1.00 98.19 C +ATOM 105 C GLY A 19 3.910 -5.134 3.946 1.00 98.22 C +ATOM 106 O GLY A 19 2.979 -5.942 3.892 1.00 98.27 O +ATOM 107 N PRO A 20 4.870 -5.213 4.883 1.00 98.21 N +ATOM 108 CA PRO A 20 4.874 -6.280 5.883 1.00 98.19 C +ATOM 109 C PRO A 20 3.745 -6.101 6.888 1.00 98.30 C +ATOM 110 O PRO A 20 3.212 -5.013 7.055 1.00 98.20 O +ATOM 111 CB PRO A 20 6.245 -6.140 6.542 1.00 97.29 C +ATOM 112 CG PRO A 20 6.531 -4.685 6.414 1.00 95.61 C +ATOM 113 CD PRO A 20 6.035 -4.335 5.033 1.00 97.41 C +HETATM 114 N HYP A 21 3.406 -7.164 7.589 1.00 98.17 N +HETATM 115 CA HYP A 21 2.404 -7.127 8.589 1.00 97.95 C +HETATM 116 C HYP A 21 2.809 -6.199 9.750 1.00 98.27 C +HETATM 117 O HYP A 21 4.008 -6.078 10.057 1.00 97.66 O +HETATM 118 CB HYP A 21 2.375 -8.590 9.125 1.00 97.08 C +HETATM 119 CG HYP A 21 2.892 -9.399 7.989 1.00 96.44 C +HETATM 120 CD HYP A 21 3.910 -8.537 7.360 1.00 97.31 C +HETATM 121 OD1 HYP A 21 1.897 -9.727 7.053 1.00 96.20 O +ATOM 122 N GLY A 22 1.844 -5.551 10.320 1.00 98.03 N +ATOM 123 CA GLY A 22 2.128 -4.691 11.439 1.00 97.85 C +ATOM 124 C GLY A 22 2.486 -5.535 12.648 1.00 98.01 C +ATOM 125 O GLY A 22 2.320 -6.755 12.642 1.00 97.97 O +ATOM 126 N PRO A 23 2.977 -4.892 13.726 1.00 97.84 N +ATOM 127 CA PRO A 23 3.361 -5.624 14.932 1.00 97.88 C +ATOM 128 C PRO A 23 2.137 -6.194 15.646 1.00 98.01 C +ATOM 129 O PRO A 23 1.030 -5.696 15.491 1.00 97.71 O +ATOM 130 CB PRO A 23 4.075 -4.566 15.767 1.00 96.73 C +ATOM 131 CG PRO A 23 3.424 -3.299 15.337 1.00 95.04 C +ATOM 132 CD PRO A 23 3.248 -3.463 13.849 1.00 96.95 C +HETATM 133 N HYP A 24 2.346 -7.215 16.445 1.00 97.77 N +HETATM 134 CA HYP A 24 1.276 -7.804 17.227 1.00 97.08 C +HETATM 135 C HYP A 24 0.728 -6.799 18.265 1.00 97.67 C +HETATM 136 O HYP A 24 1.455 -5.941 18.726 1.00 96.84 O +HETATM 137 CB HYP A 24 2.047 -8.958 18.017 1.00 95.68 C +HETATM 138 CG HYP A 24 3.210 -9.311 17.137 1.00 94.51 C +HETATM 139 CD HYP A 24 3.616 -7.980 16.542 1.00 96.34 C +HETATM 140 OD1 HYP A 24 2.820 -10.176 16.094 1.00 93.96 O +ATOM 141 N GLY A 25 -0.558 -6.929 18.532 1.00 97.19 N +ATOM 142 CA GLY A 25 -1.173 -6.046 19.492 1.00 96.92 C +ATOM 143 C GLY A 25 -0.630 -6.318 20.883 1.00 97.21 C +ATOM 144 O GLY A 25 -0.066 -7.386 21.151 1.00 96.89 O +ATOM 145 N ALA A 26 -0.803 -5.365 21.772 1.00 96.93 N +ATOM 146 CA ALA A 26 -0.333 -5.497 23.138 1.00 96.76 C +ATOM 147 C ALA A 26 -1.115 -6.575 23.869 1.00 96.98 C +ATOM 148 O ALA A 26 -2.293 -6.786 23.599 1.00 96.18 O +ATOM 149 CB ALA A 26 -0.469 -4.163 23.869 1.00 94.93 C +HETATM 150 N HYP A 27 -0.469 -7.265 24.837 1.00 97.26 N +HETATM 151 CA HYP A 27 -1.182 -8.231 25.609 1.00 96.16 C +HETATM 152 C HYP A 27 -2.264 -7.580 26.455 1.00 97.16 C +HETATM 153 O HYP A 27 -2.135 -6.446 26.892 1.00 96.38 O +HETATM 154 CB HYP A 27 -0.073 -8.746 26.645 1.00 94.81 C +HETATM 155 CG HYP A 27 1.252 -8.522 25.957 1.00 93.28 C +HETATM 156 CD HYP A 27 0.996 -7.262 25.179 1.00 95.12 C +HETATM 157 OD1 HYP A 27 1.545 -9.583 25.065 1.00 92.25 O +ATOM 158 N GLY A 28 -3.346 -8.336 26.645 1.00 95.40 N +ATOM 159 CA GLY A 28 -4.436 -7.833 27.445 1.00 95.26 C +ATOM 160 C GLY A 28 -4.016 -7.750 28.900 1.00 95.71 C +ATOM 161 O GLY A 28 -2.993 -8.313 29.300 1.00 95.41 O +ATOM 162 N PRO A 29 -4.808 -7.080 29.730 1.00 95.94 N +ATOM 163 CA PRO A 29 -4.464 -6.948 31.145 1.00 95.89 C +ATOM 164 C PRO A 29 -4.599 -8.286 31.859 1.00 96.04 C +ATOM 165 O PRO A 29 -5.328 -9.168 31.414 1.00 95.21 O +ATOM 166 CB PRO A 29 -5.474 -5.920 31.645 1.00 93.92 C +ATOM 167 CG PRO A 29 -6.640 -6.122 30.742 1.00 92.50 C +ATOM 168 CD PRO A 29 -6.025 -6.359 29.392 1.00 94.89 C +HETATM 169 N HYP A 30 -3.906 -8.442 33.031 1.00 96.55 N +HETATM 170 CA HYP A 30 -4.023 -9.661 33.770 1.00 94.95 C +HETATM 171 C HYP A 30 -5.395 -9.848 34.299 1.00 95.46 C +HETATM 172 O HYP A 30 -6.073 -8.897 34.634 1.00 95.13 O +HETATM 173 CB HYP A 30 -2.990 -9.399 34.993 1.00 93.34 C +HETATM 174 CG HYP A 30 -1.994 -8.404 34.482 1.00 92.13 C +HETATM 175 CD HYP A 30 -2.836 -7.530 33.539 1.00 94.25 C +HETATM 176 OD1 HYP A 30 -0.971 -9.040 33.736 1.00 91.46 O +ATOM 177 N GLY A 31 -5.844 -11.170 34.346 1.00 91.97 N +ATOM 178 CA GLY A 31 -7.181 -11.496 34.784 1.00 90.17 C +ATOM 179 C GLY A 31 -7.408 -11.043 36.220 1.00 88.64 C +ATOM 180 O GLY A 31 -6.465 -10.936 37.007 1.00 85.27 O +ATOM 181 N VAL A 32 -8.678 -10.805 36.561 1.00 95.33 N +ATOM 182 CA VAL A 32 -9.048 -10.383 37.914 1.00 93.82 C +ATOM 183 C VAL A 32 -10.108 -11.308 38.504 1.00 91.09 C +ATOM 184 O VAL A 32 -10.348 -11.250 39.713 1.00 87.99 O +ATOM 185 CB VAL A 32 -9.573 -8.927 37.931 1.00 87.85 C +ATOM 186 CG1 VAL A 32 -8.461 -7.986 37.508 1.00 79.35 C +ATOM 187 CG2 VAL A 32 -10.761 -8.785 36.990 1.00 82.00 C +ATOM 188 OXT VAL A 32 -10.693 -12.117 37.767 1.00 78.51 O +TER 189 VAL A 32 +END diff --git a/protein_pdb_46.txt b/protein_pdb_46.txt new file mode 100644 index 0000000000000000000000000000000000000000..8a780545fd14c7e9ab13252f646e1702436468af --- /dev/null +++ b/protein_pdb_46.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -21.696 26.045 -8.946 1.00 86.91 N +ATOM 2 CA GLY A 1 -20.538 26.283 -8.091 1.00 89.94 C +ATOM 3 C GLY A 1 -19.265 25.741 -8.716 1.00 91.33 C +ATOM 4 O GLY A 1 -19.318 25.036 -9.717 1.00 88.26 O +ATOM 5 N PRO A 2 -18.108 26.028 -8.133 1.00 89.11 N +ATOM 6 CA PRO A 2 -16.835 25.538 -8.663 1.00 91.59 C +ATOM 7 C PRO A 2 -16.709 24.027 -8.485 1.00 91.83 C +ATOM 8 O PRO A 2 -17.395 23.427 -7.664 1.00 89.57 O +ATOM 9 CB PRO A 2 -15.790 26.289 -7.847 1.00 87.94 C +ATOM 10 CG PRO A 2 -16.479 26.550 -6.551 1.00 84.73 C +ATOM 11 CD PRO A 2 -17.914 26.820 -6.929 1.00 86.66 C +HETATM 12 N HYP A 3 -15.894 23.482 -9.255 1.00 94.37 N +HETATM 13 CA HYP A 3 -15.557 22.018 -9.133 1.00 93.05 C +HETATM 14 C HYP A 3 -15.073 21.691 -7.744 1.00 93.35 C +HETATM 15 O HYP A 3 -14.418 22.525 -7.077 1.00 92.69 O +HETATM 16 CB HYP A 3 -14.484 21.852 -10.186 1.00 91.98 C +HETATM 17 CG HYP A 3 -14.745 22.936 -11.210 1.00 91.56 C +HETATM 18 CD HYP A 3 -15.167 24.117 -10.317 1.00 92.91 C +HETATM 19 OD1 HYP A 3 -15.772 22.625 -12.083 1.00 91.80 O +ATOM 20 N GLY A 4 -15.417 20.475 -7.284 1.00 94.40 N +ATOM 21 CA GLY A 4 -15.001 20.031 -5.979 1.00 93.65 C +ATOM 22 C GLY A 4 -13.500 19.797 -5.926 1.00 93.94 C +ATOM 23 O GLY A 4 -12.821 19.781 -6.962 1.00 93.42 O +ATOM 24 N PRO A 5 -12.965 19.602 -4.724 1.00 94.70 N +ATOM 25 CA PRO A 5 -11.529 19.365 -4.575 1.00 94.58 C +ATOM 26 C PRO A 5 -11.153 17.981 -5.089 1.00 94.71 C +ATOM 27 O PRO A 5 -11.996 17.104 -5.228 1.00 93.98 O +ATOM 28 CB PRO A 5 -11.303 19.494 -3.070 1.00 92.05 C +ATOM 29 CG PRO A 5 -12.601 19.059 -2.493 1.00 89.80 C +ATOM 30 CD PRO A 5 -13.653 19.584 -3.443 1.00 92.35 C +HETATM 31 N HYP A 6 -9.910 17.834 -5.387 1.00 94.99 N +HETATM 32 CA HYP A 6 -9.370 16.465 -5.723 1.00 95.15 C +HETATM 33 C HYP A 6 -9.669 15.457 -4.671 1.00 93.56 C +HETATM 34 O HYP A 6 -9.717 15.812 -3.476 1.00 93.60 O +HETATM 35 CB HYP A 6 -7.876 16.777 -5.900 1.00 92.82 C +HETATM 36 CG HYP A 6 -7.815 18.240 -6.302 1.00 91.08 C +HETATM 37 CD HYP A 6 -8.931 18.850 -5.444 1.00 94.17 C +HETATM 38 OD1 HYP A 6 -8.105 18.427 -7.649 1.00 89.97 O +ATOM 39 N GLY A 7 -9.915 14.185 -5.065 1.00 96.41 N +ATOM 40 CA GLY A 7 -10.220 13.126 -4.146 1.00 95.96 C +ATOM 41 C GLY A 7 -9.045 12.799 -3.243 1.00 96.32 C +ATOM 42 O GLY A 7 -7.928 13.279 -3.459 1.00 96.01 O +ATOM 43 N PRO A 8 -9.279 11.961 -2.228 1.00 95.02 N +ATOM 44 CA PRO A 8 -8.214 11.578 -1.310 1.00 95.06 C +ATOM 45 C PRO A 8 -7.231 10.634 -1.977 1.00 95.31 C +ATOM 46 O PRO A 8 -7.517 10.040 -3.016 1.00 94.79 O +ATOM 47 CB PRO A 8 -8.964 10.897 -0.169 1.00 93.50 C +ATOM 48 CG PRO A 8 -10.155 10.315 -0.846 1.00 92.19 C +ATOM 49 CD PRO A 8 -10.541 11.336 -1.889 1.00 93.81 C +HETATM 50 N HYP A 9 -6.090 10.485 -1.393 1.00 94.77 N +HETATM 51 CA HYP A 9 -5.094 9.509 -1.851 1.00 94.99 C +HETATM 52 C HYP A 9 -5.634 8.110 -1.863 1.00 95.65 C +HETATM 53 O HYP A 9 -6.481 7.765 -1.018 1.00 93.54 O +HETATM 54 CB HYP A 9 -3.965 9.598 -0.745 1.00 92.73 C +HETATM 55 CG HYP A 9 -4.119 10.971 -0.201 1.00 91.05 C +HETATM 56 CD HYP A 9 -5.633 11.187 -0.246 1.00 93.98 C +HETATM 57 OD1 HYP A 9 -3.492 11.910 -1.061 1.00 88.67 O +ATOM 58 N GLY A 10 -5.199 7.301 -2.793 1.00 96.43 N +ATOM 59 CA GLY A 10 -5.634 5.929 -2.878 1.00 95.77 C +ATOM 60 C GLY A 10 -5.175 5.125 -1.672 1.00 95.93 C +ATOM 61 O GLY A 10 -4.387 5.603 -0.853 1.00 95.63 O +ATOM 62 N PRO A 11 -5.649 3.869 -1.557 1.00 95.09 N +ATOM 63 CA PRO A 11 -5.251 3.040 -0.426 1.00 94.66 C +ATOM 64 C PRO A 11 -3.776 2.668 -0.502 1.00 94.65 C +ATOM 65 O PRO A 11 -3.177 2.620 -1.573 1.00 92.50 O +ATOM 66 CB PRO A 11 -6.151 1.813 -0.551 1.00 93.06 C +ATOM 67 CG PRO A 11 -6.444 1.738 -2.004 1.00 92.29 C +ATOM 68 CD PRO A 11 -6.555 3.173 -2.452 1.00 93.70 C +ATOM 69 N GLN A 12 -3.202 2.389 0.661 1.00 93.30 N +ATOM 70 CA GLN A 12 -1.806 1.982 0.726 1.00 93.01 C +ATOM 71 C GLN A 12 -1.630 0.650 -0.003 1.00 93.78 C +ATOM 72 O GLN A 12 -2.507 -0.207 0.025 1.00 90.89 O +ATOM 73 CB GLN A 12 -1.372 1.855 2.186 1.00 90.18 C +ATOM 74 CG GLN A 12 0.100 1.538 2.364 1.00 83.49 C +ATOM 75 CD GLN A 12 0.539 1.596 3.810 1.00 78.22 C +ATOM 76 OE1 GLN A 12 -0.259 1.860 4.703 1.00 74.35 O +ATOM 77 NE2 GLN A 12 1.819 1.351 4.065 1.00 71.81 N +ATOM 78 N GLY A 13 -0.494 0.516 -0.673 1.00 95.36 N +ATOM 79 CA GLY A 13 -0.211 -0.707 -1.396 1.00 94.69 C +ATOM 80 C GLY A 13 -0.057 -1.908 -0.481 1.00 95.34 C +ATOM 81 O GLY A 13 0.044 -1.766 0.740 1.00 95.02 O +ATOM 82 N PRO A 14 -0.028 -3.119 -1.055 1.00 93.63 N +ATOM 83 CA PRO A 14 0.099 -4.329 -0.256 1.00 93.77 C +ATOM 84 C PRO A 14 1.494 -4.468 0.338 1.00 94.01 C +ATOM 85 O PRO A 14 2.444 -3.863 -0.146 1.00 92.95 O +ATOM 86 CB PRO A 14 -0.198 -5.451 -1.256 1.00 92.35 C +ATOM 87 CG PRO A 14 0.249 -4.881 -2.559 1.00 91.40 C +ATOM 88 CD PRO A 14 -0.128 -3.424 -2.483 1.00 92.26 C +HETATM 89 N HYP A 15 1.624 -5.291 1.369 1.00 90.17 N +HETATM 90 CA HYP A 15 2.903 -5.584 1.952 1.00 92.56 C +HETATM 91 C HYP A 15 3.857 -6.227 0.944 1.00 94.68 C +HETATM 92 O HYP A 15 3.384 -6.914 0.017 1.00 86.02 O +HETATM 93 CB HYP A 15 2.527 -6.607 3.053 1.00 91.43 C +HETATM 94 CG HYP A 15 1.098 -6.235 3.398 1.00 88.40 C +HETATM 95 CD HYP A 15 0.526 -5.892 2.065 1.00 90.64 C +HETATM 96 OD1 HYP A 15 1.030 -5.110 4.246 1.00 91.49 O +ATOM 97 N GLY A 16 5.104 -5.982 1.070 1.00 96.33 N +ATOM 98 CA GLY A 16 6.074 -6.592 0.199 1.00 95.85 C +ATOM 99 C GLY A 16 6.147 -8.095 0.447 1.00 96.34 C +ATOM 100 O GLY A 16 5.546 -8.614 1.394 1.00 96.06 O +ATOM 101 N PRO A 17 6.894 -8.813 -0.404 1.00 92.81 N +ATOM 102 CA PRO A 17 7.016 -10.261 -0.246 1.00 93.05 C +ATOM 103 C PRO A 17 7.836 -10.621 0.979 1.00 93.03 C +ATOM 104 O PRO A 17 8.596 -9.811 1.494 1.00 92.14 O +ATOM 105 CB PRO A 17 7.710 -10.692 -1.541 1.00 90.99 C +ATOM 106 CG PRO A 17 8.509 -9.498 -1.918 1.00 89.37 C +ATOM 107 CD PRO A 17 7.652 -8.322 -1.551 1.00 91.05 C +HETATM 108 N HYP A 18 7.695 -11.841 1.434 1.00 91.99 N +HETATM 109 CA HYP A 18 8.506 -12.339 2.524 1.00 93.06 C +HETATM 110 C HYP A 18 9.989 -12.249 2.224 1.00 93.07 C +HETATM 111 O HYP A 18 10.403 -12.442 1.062 1.00 92.09 O +HETATM 112 CB HYP A 18 8.055 -13.793 2.637 1.00 91.70 C +HETATM 113 CG HYP A 18 6.657 -13.841 2.083 1.00 91.09 C +HETATM 114 CD HYP A 18 6.712 -12.811 0.988 1.00 89.81 C +HETATM 115 OD1 HYP A 18 5.701 -13.431 3.032 1.00 91.78 O +ATOM 116 N GLY A 19 10.783 -11.934 3.226 1.00 91.94 N +ATOM 117 CA GLY A 19 12.204 -11.833 3.061 1.00 91.07 C +ATOM 118 C GLY A 19 12.809 -13.189 2.731 1.00 91.84 C +ATOM 119 O GLY A 19 12.146 -14.221 2.834 1.00 91.42 O +ATOM 120 N PRO A 20 14.093 -13.200 2.352 1.00 91.70 N +ATOM 121 CA PRO A 20 14.752 -14.460 2.013 1.00 91.47 C +ATOM 122 C PRO A 20 14.998 -15.298 3.254 1.00 91.24 C +ATOM 123 O PRO A 20 15.016 -14.790 4.370 1.00 89.48 O +ATOM 124 CB PRO A 20 16.055 -14.001 1.361 1.00 88.91 C +ATOM 125 CG PRO A 20 16.331 -12.694 2.021 1.00 86.75 C +ATOM 126 CD PRO A 20 14.980 -12.053 2.200 1.00 89.38 C +HETATM 127 N HYP A 21 15.221 -16.577 3.076 1.00 94.76 N +HETATM 128 CA HYP A 21 15.552 -17.468 4.158 1.00 93.29 C +HETATM 129 C HYP A 21 16.830 -17.064 4.870 1.00 94.75 C +HETATM 130 O HYP A 21 17.739 -16.504 4.230 1.00 93.02 O +HETATM 131 CB HYP A 21 15.777 -18.837 3.467 1.00 92.79 C +HETATM 132 CG HYP A 21 14.988 -18.770 2.187 1.00 91.81 C +HETATM 133 CD HYP A 21 15.107 -17.300 1.812 1.00 94.06 C +HETATM 134 OD1 HYP A 21 13.616 -19.056 2.435 1.00 90.78 O +ATOM 135 N GLY A 22 16.911 -17.230 6.152 1.00 89.44 N +ATOM 136 CA GLY A 22 18.095 -16.909 6.907 1.00 88.45 C +ATOM 137 C GLY A 22 19.248 -17.808 6.479 1.00 89.14 C +ATOM 138 O GLY A 22 19.065 -18.781 5.744 1.00 87.41 O +ATOM 139 N PRO A 23 20.469 -17.528 6.963 1.00 91.40 N +ATOM 140 CA PRO A 23 21.618 -18.343 6.596 1.00 91.55 C +ATOM 141 C PRO A 23 21.509 -19.736 7.200 1.00 91.10 C +ATOM 142 O PRO A 23 20.863 -19.933 8.223 1.00 87.58 O +ATOM 143 CB PRO A 23 22.804 -17.563 7.165 1.00 87.90 C +ATOM 144 CG PRO A 23 22.220 -16.798 8.287 1.00 84.36 C +ATOM 145 CD PRO A 23 20.828 -16.433 7.849 1.00 87.28 C +HETATM 146 N HYP A 24 22.179 -20.733 6.641 1.00 91.97 N +HETATM 147 CA HYP A 24 22.090 -22.080 7.153 1.00 87.83 C +HETATM 148 C HYP A 24 22.568 -22.165 8.573 1.00 89.85 C +HETATM 149 O HYP A 24 23.567 -21.484 8.903 1.00 87.54 O +HETATM 150 CB HYP A 24 23.028 -22.942 6.247 1.00 91.09 C +HETATM 151 CG HYP A 24 23.207 -22.123 4.996 1.00 88.72 C +HETATM 152 CD HYP A 24 23.044 -20.660 5.463 1.00 90.67 C +HETATM 153 OD1 HYP A 24 22.147 -22.419 4.102 1.00 85.65 O +HETATM 154 OXT HYP A 24 21.930 -22.923 9.328 1.00 84.21 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_460.txt b/protein_pdb_460.txt new file mode 100644 index 0000000000000000000000000000000000000000..c15e8571b7adf679c977294b2ac8b4d2b783ef02 --- /dev/null +++ b/protein_pdb_460.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -4.511 6.732 0.043 1.00 74.11 N +ATOM 2 CA GLY A 1 -3.411 6.222 -0.738 1.00 78.04 C +ATOM 3 C GLY A 1 -3.763 4.898 -1.384 1.00 79.33 C +ATOM 4 O GLY A 1 -4.873 4.391 -1.212 1.00 75.24 O +ATOM 5 N PRO A 2 -2.814 4.256 -2.124 1.00 78.01 N +ATOM 6 CA PRO A 2 -3.068 2.985 -2.793 1.00 80.49 C +ATOM 7 C PRO A 2 -3.130 1.844 -1.784 1.00 80.83 C +ATOM 8 O PRO A 2 -2.680 1.975 -0.650 1.00 77.89 O +ATOM 9 CB PRO A 2 -1.866 2.832 -3.726 1.00 75.93 C +ATOM 10 CG PRO A 2 -0.782 3.555 -3.016 1.00 72.99 C +ATOM 11 CD PRO A 2 -1.453 4.730 -2.352 1.00 72.89 C +HETATM 12 N HYP A 3 -3.683 0.713 -2.167 1.00 80.57 N +HETATM 13 CA HYP A 3 -3.709 -0.436 -1.357 1.00 81.85 C +HETATM 14 C HYP A 3 -2.294 -0.884 -0.949 1.00 81.55 C +HETATM 15 O HYP A 3 -1.324 -0.669 -1.708 1.00 82.24 O +HETATM 16 CB HYP A 3 -4.375 -1.444 -2.304 1.00 79.89 C +HETATM 17 CG HYP A 3 -5.297 -0.592 -3.123 1.00 76.21 C +HETATM 18 CD HYP A 3 -4.420 0.605 -3.390 1.00 80.96 C +HETATM 19 OD1 HYP A 3 -6.432 -0.188 -2.398 1.00 80.57 O +ATOM 20 N GLY A 4 -2.200 -1.338 0.241 1.00 88.30 N +ATOM 21 CA GLY A 4 -0.930 -1.775 0.744 1.00 87.45 C +ATOM 22 C GLY A 4 -0.440 -3.004 0.001 1.00 86.24 C +ATOM 23 O GLY A 4 -1.143 -3.554 -0.855 1.00 84.45 O +ATOM 24 N PRO A 5 0.762 -3.437 0.326 1.00 86.50 N +ATOM 25 CA PRO A 5 1.299 -4.619 -0.338 1.00 85.18 C +ATOM 26 C PRO A 5 0.526 -5.860 0.079 1.00 85.01 C +ATOM 27 O PRO A 5 -0.121 -5.887 1.121 1.00 82.76 O +ATOM 28 CB PRO A 5 2.742 -4.670 0.143 1.00 81.64 C +ATOM 29 CG PRO A 5 2.692 -4.009 1.474 1.00 81.30 C +ATOM 30 CD PRO A 5 1.668 -2.913 1.331 1.00 83.36 C +HETATM 31 N HYP A 6 0.662 -6.896 -0.735 1.00 85.09 N +HETATM 32 CA HYP A 6 0.034 -8.127 -0.377 1.00 84.35 C +HETATM 33 C HYP A 6 0.608 -8.693 0.923 1.00 84.86 C +HETATM 34 O HYP A 6 1.813 -8.525 1.221 1.00 84.56 O +HETATM 35 CB HYP A 6 0.445 -9.020 -1.566 1.00 82.53 C +HETATM 36 CG HYP A 6 0.598 -8.059 -2.710 1.00 79.61 C +HETATM 37 CD HYP A 6 1.217 -6.868 -2.058 1.00 83.90 C +HETATM 38 OD1 HYP A 6 -0.643 -7.697 -3.253 1.00 79.93 O +ATOM 39 N GLY A 7 -0.283 -9.205 1.731 1.00 82.31 N +ATOM 40 CA GLY A 7 0.142 -9.792 2.971 1.00 80.16 C +ATOM 41 C GLY A 7 0.811 -11.128 2.719 1.00 80.32 C +ATOM 42 O GLY A 7 0.915 -11.590 1.581 1.00 79.37 O +ATOM 43 N PRO A 8 1.247 -11.769 3.781 1.00 81.82 N +ATOM 44 CA PRO A 8 1.821 -13.098 3.630 1.00 81.46 C +ATOM 45 C PRO A 8 0.728 -14.072 3.193 1.00 81.31 C +ATOM 46 O PRO A 8 -0.462 -13.796 3.325 1.00 79.62 O +ATOM 47 CB PRO A 8 2.361 -13.425 5.019 1.00 78.90 C +ATOM 48 CG PRO A 8 1.573 -12.559 5.933 1.00 79.36 C +ATOM 49 CD PRO A 8 1.231 -11.316 5.163 1.00 80.55 C +HETATM 50 N HYP A 9 1.168 -15.238 2.661 1.00 75.37 N +HETATM 51 CA HYP A 9 0.216 -16.211 2.279 1.00 78.59 C +HETATM 52 C HYP A 9 -0.809 -16.466 3.286 1.00 74.95 C +HETATM 53 O HYP A 9 -0.453 -16.607 4.476 1.00 75.88 O +HETATM 54 CB HYP A 9 1.096 -17.409 1.878 1.00 75.91 C +HETATM 55 CG HYP A 9 2.393 -16.754 1.408 1.00 75.12 C +HETATM 56 CD HYP A 9 2.527 -15.576 2.326 1.00 77.09 C +HETATM 57 OD1 HYP A 9 2.298 -16.273 0.095 1.00 73.76 O +ATOM 58 N GLY A 10 -2.139 -16.362 2.987 1.00 78.23 N +ATOM 59 CA GLY A 10 -3.234 -16.596 3.890 1.00 75.07 C +ATOM 60 C GLY A 10 -3.778 -15.351 4.568 1.00 73.83 C +ATOM 61 O GLY A 10 -4.802 -15.429 5.244 1.00 71.69 O +ATOM 62 N PHE A 11 -3.125 -14.198 4.418 1.00 78.34 N +ATOM 63 CA PHE A 11 -3.564 -12.959 5.050 1.00 80.26 C +ATOM 64 C PHE A 11 -3.561 -11.825 4.039 1.00 79.85 C +ATOM 65 O PHE A 11 -2.575 -11.626 3.328 1.00 78.18 O +ATOM 66 CB PHE A 11 -2.647 -12.562 6.208 1.00 76.89 C +ATOM 67 CG PHE A 11 -2.448 -13.633 7.238 1.00 72.37 C +ATOM 68 CD1 PHE A 11 -1.373 -14.500 7.140 1.00 68.55 C +ATOM 69 CD2 PHE A 11 -3.330 -13.778 8.290 1.00 69.13 C +ATOM 70 CE1 PHE A 11 -1.181 -15.502 8.079 1.00 67.51 C +ATOM 71 CE2 PHE A 11 -3.143 -14.771 9.231 1.00 69.59 C +ATOM 72 CZ PHE A 11 -2.070 -15.634 9.136 1.00 66.57 C +ATOM 73 N ALA A 12 -4.644 -11.063 3.985 1.00 72.50 N +ATOM 74 CA ALA A 12 -4.691 -9.898 3.124 1.00 71.96 C +ATOM 75 C ALA A 12 -3.786 -8.818 3.692 1.00 72.33 C +ATOM 76 O ALA A 12 -3.668 -8.664 4.906 1.00 66.60 O +ATOM 77 CB ALA A 12 -6.116 -9.373 3.028 1.00 67.60 C +ATOM 78 N GLY A 13 -3.155 -8.061 2.801 1.00 81.06 N +ATOM 79 CA GLY A 13 -2.323 -6.961 3.252 1.00 79.29 C +ATOM 80 C GLY A 13 -3.177 -5.822 3.768 1.00 79.34 C +ATOM 81 O GLY A 13 -4.371 -5.740 3.470 1.00 78.50 O +ATOM 82 N PRO A 14 -2.585 -4.920 4.547 1.00 75.93 N +ATOM 83 CA PRO A 14 -3.335 -3.777 5.054 1.00 77.27 C +ATOM 84 C PRO A 14 -3.498 -2.729 3.961 1.00 77.81 C +ATOM 85 O PRO A 14 -2.773 -2.729 2.970 1.00 74.53 O +ATOM 86 CB PRO A 14 -2.455 -3.249 6.183 1.00 73.63 C +ATOM 87 CG PRO A 14 -1.077 -3.588 5.731 1.00 73.18 C +ATOM 88 CD PRO A 14 -1.208 -4.926 5.038 1.00 72.82 C +HETATM 89 N HYP A 15 -4.419 -1.833 4.138 1.00 75.57 N +HETATM 90 CA HYP A 15 -4.576 -0.693 3.272 1.00 79.26 C +HETATM 91 C HYP A 15 -3.318 0.152 3.254 1.00 79.98 C +HETATM 92 O HYP A 15 -2.573 0.157 4.266 1.00 80.27 O +HETATM 93 CB HYP A 15 -5.764 0.001 3.930 1.00 76.07 C +HETATM 94 CG HYP A 15 -6.524 -1.141 4.540 1.00 75.99 C +HETATM 95 CD HYP A 15 -5.447 -2.011 5.088 1.00 81.04 C +HETATM 96 OD1 HYP A 15 -7.271 -1.845 3.577 1.00 77.23 O +ATOM 97 N GLY A 16 -3.063 0.794 2.185 1.00 82.73 N +ATOM 98 CA GLY A 16 -1.916 1.655 2.104 1.00 80.35 C +ATOM 99 C GLY A 16 -2.094 2.888 2.967 1.00 80.14 C +ATOM 100 O GLY A 16 -3.161 3.098 3.561 1.00 79.43 O +ATOM 101 N PRO A 17 -1.065 3.738 3.035 1.00 73.01 N +ATOM 102 CA PRO A 17 -1.172 4.952 3.830 1.00 73.85 C +ATOM 103 C PRO A 17 -2.144 5.932 3.197 1.00 72.93 C +ATOM 104 O PRO A 17 -2.468 5.833 2.021 1.00 71.34 O +ATOM 105 CB PRO A 17 0.259 5.498 3.826 1.00 71.36 C +ATOM 106 CG PRO A 17 0.837 4.969 2.567 1.00 70.50 C +ATOM 107 CD PRO A 17 0.236 3.600 2.384 1.00 70.74 C +HETATM 108 N HYP A 18 -2.591 6.892 3.942 1.00 73.09 N +HETATM 109 CA HYP A 18 -3.448 7.916 3.457 1.00 78.96 C +HETATM 110 C HYP A 18 -2.817 8.691 2.310 1.00 72.47 C +HETATM 111 O HYP A 18 -1.572 8.822 2.241 1.00 76.64 O +HETATM 112 CB HYP A 18 -3.610 8.756 4.704 1.00 72.28 C +HETATM 113 CG HYP A 18 -3.486 7.780 5.840 1.00 71.01 C +HETATM 114 CD HYP A 18 -2.396 6.884 5.368 1.00 78.72 C +HETATM 115 OD1 HYP A 18 -4.668 7.039 6.027 1.00 76.07 O +ATOM 116 N GLY A 19 -3.628 9.158 1.410 1.00 74.84 N +ATOM 117 CA GLY A 19 -3.152 9.943 0.302 1.00 72.57 C +ATOM 118 C GLY A 19 -2.585 11.265 0.768 1.00 72.24 C +ATOM 119 O GLY A 19 -2.630 11.599 1.956 1.00 73.43 O +ATOM 120 N PRO A 20 -2.050 12.043 -0.168 1.00 69.40 N +ATOM 121 CA PRO A 20 -1.471 13.331 0.197 1.00 71.07 C +ATOM 122 C PRO A 20 -2.547 14.310 0.637 1.00 70.44 C +ATOM 123 O PRO A 20 -3.722 14.141 0.332 1.00 72.09 O +ATOM 124 CB PRO A 20 -0.790 13.783 -1.091 1.00 68.45 C +ATOM 125 CG PRO A 20 -1.557 13.104 -2.165 1.00 65.38 C +ATOM 126 CD PRO A 20 -1.957 11.770 -1.593 1.00 65.35 C +HETATM 127 N HYP A 21 -2.165 15.372 1.339 1.00 71.96 N +HETATM 128 CA HYP A 21 -3.051 16.380 1.744 1.00 77.09 C +HETATM 129 C HYP A 21 -3.722 17.100 0.597 1.00 75.55 C +HETATM 130 O HYP A 21 -3.083 17.261 -0.484 1.00 81.08 O +HETATM 131 CB HYP A 21 -2.097 17.370 2.464 1.00 75.48 C +HETATM 132 CG HYP A 21 -0.955 16.509 2.952 1.00 73.41 C +HETATM 133 CD HYP A 21 -0.793 15.504 1.837 1.00 75.92 C +HETATM 134 OD1 HYP A 21 -1.314 15.816 4.142 1.00 79.19 O +ATOM 135 N GLY A 22 -4.969 17.436 0.731 1.00 73.94 N +ATOM 136 CA GLY A 22 -5.686 18.156 -0.283 1.00 71.55 C +ATOM 137 C GLY A 22 -5.162 19.577 -0.404 1.00 69.84 C +ATOM 138 O GLY A 22 -4.306 20.005 0.372 1.00 71.04 O +ATOM 139 N PRO A 23 -5.682 20.344 -1.360 1.00 78.60 N +ATOM 140 CA PRO A 23 -5.229 21.719 -1.528 1.00 80.75 C +ATOM 141 C PRO A 23 -5.715 22.587 -0.387 1.00 79.00 C +ATOM 142 O PRO A 23 -6.718 22.292 0.255 1.00 76.91 O +ATOM 143 CB PRO A 23 -5.844 22.138 -2.860 1.00 75.55 C +ATOM 144 CG PRO A 23 -7.053 21.284 -2.971 1.00 70.44 C +ATOM 145 CD PRO A 23 -6.686 19.973 -2.340 1.00 73.59 C +HETATM 146 N HYP A 24 -5.011 23.716 -0.142 1.00 81.77 N +HETATM 147 CA HYP A 24 -5.510 24.582 0.915 1.00 80.93 C +HETATM 148 C HYP A 24 -6.765 25.278 0.334 1.00 77.05 C +HETATM 149 O HYP A 24 -7.361 26.104 0.946 1.00 83.50 O +HETATM 150 CB HYP A 24 -4.394 25.726 0.919 1.00 78.38 C +HETATM 151 CG HYP A 24 -3.168 25.146 0.300 1.00 78.35 C +HETATM 152 CD HYP A 24 -3.703 24.113 -0.711 1.00 82.99 C +HETATM 153 OD1 HYP A 24 -2.416 24.479 1.290 1.00 80.51 O +HETATM 154 OXT HYP A 24 -7.116 24.977 -0.785 1.00 77.30 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_461.txt b/protein_pdb_461.txt new file mode 100644 index 0000000000000000000000000000000000000000..04333d29619e2f1a9969b0ed8ce8cc60f1f49fa3 --- /dev/null +++ b/protein_pdb_461.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 2.979 14.283 -3.526 1.00 90.94 N +ATOM 2 CA GLY A 1 3.843 13.151 -3.537 1.00 91.02 C +ATOM 3 C GLY A 1 3.222 11.931 -4.186 1.00 91.33 C +ATOM 4 O GLY A 1 2.012 11.857 -4.366 1.00 89.47 O +ATOM 5 N PRO A 2 4.039 11.002 -4.503 1.00 90.61 N +ATOM 6 CA PRO A 2 3.561 9.783 -5.128 1.00 91.06 C +ATOM 7 C PRO A 2 2.906 8.856 -4.125 1.00 90.62 C +ATOM 8 O PRO A 2 2.999 9.055 -2.917 1.00 88.37 O +ATOM 9 CB PRO A 2 4.843 9.178 -5.696 1.00 88.53 C +ATOM 10 CG PRO A 2 5.893 9.633 -4.745 1.00 86.04 C +ATOM 11 CD PRO A 2 5.487 11.019 -4.344 1.00 87.80 C +HETATM 12 N HYP A 3 2.233 7.852 -4.671 1.00 91.95 N +HETATM 13 CA HYP A 3 1.654 6.851 -3.797 1.00 89.96 C +HETATM 14 C HYP A 3 2.711 6.170 -2.957 1.00 93.39 C +HETATM 15 O HYP A 3 3.866 6.016 -3.389 1.00 92.87 O +HETATM 16 CB HYP A 3 1.042 5.819 -4.800 1.00 89.19 C +HETATM 17 CG HYP A 3 0.729 6.652 -6.032 1.00 87.23 C +HETATM 18 CD HYP A 3 1.912 7.630 -6.071 1.00 89.93 C +HETATM 19 OD1 HYP A 3 -0.459 7.363 -5.807 1.00 87.92 O +ATOM 20 N GLY A 4 2.308 5.824 -1.752 1.00 91.72 N +ATOM 21 CA GLY A 4 3.189 5.115 -0.869 1.00 91.79 C +ATOM 22 C GLY A 4 3.428 3.695 -1.342 1.00 92.51 C +ATOM 23 O GLY A 4 2.807 3.217 -2.290 1.00 92.44 O +ATOM 24 N PRO A 5 4.340 2.997 -0.672 1.00 90.70 N +ATOM 25 CA PRO A 5 4.638 1.626 -1.048 1.00 90.79 C +ATOM 26 C PRO A 5 3.496 0.693 -0.692 1.00 90.60 C +ATOM 27 O PRO A 5 2.632 1.022 0.119 1.00 88.91 O +ATOM 28 CB PRO A 5 5.889 1.303 -0.237 1.00 89.16 C +ATOM 29 CG PRO A 5 5.789 2.188 0.951 1.00 87.90 C +ATOM 30 CD PRO A 5 5.138 3.447 0.460 1.00 89.39 C +HETATM 31 N HYP A 6 3.507 -0.484 -1.359 1.00 90.95 N +HETATM 32 CA HYP A 6 2.530 -1.492 -1.004 1.00 93.38 C +HETATM 33 C HYP A 6 2.591 -1.891 0.427 1.00 93.78 C +HETATM 34 O HYP A 6 3.667 -1.855 1.068 1.00 93.53 O +HETATM 35 CB HYP A 6 2.892 -2.654 -1.955 1.00 90.57 C +HETATM 36 CG HYP A 6 3.541 -1.973 -3.146 1.00 89.52 C +HETATM 37 CD HYP A 6 4.329 -0.881 -2.480 1.00 90.90 C +HETATM 38 OD1 HYP A 6 2.542 -1.425 -3.971 1.00 88.25 O +ATOM 39 N GLY A 7 1.462 -2.196 0.997 1.00 92.34 N +ATOM 40 CA GLY A 7 1.391 -2.662 2.348 1.00 92.17 C +ATOM 41 C GLY A 7 2.008 -4.039 2.494 1.00 92.71 C +ATOM 42 O GLY A 7 2.389 -4.678 1.517 1.00 92.31 O +ATOM 43 N PRO A 8 2.116 -4.501 3.725 1.00 91.41 N +ATOM 44 CA PRO A 8 2.699 -5.810 3.968 1.00 91.99 C +ATOM 45 C PRO A 8 1.779 -6.929 3.504 1.00 91.91 C +ATOM 46 O PRO A 8 0.584 -6.737 3.308 1.00 89.89 O +ATOM 47 CB PRO A 8 2.895 -5.844 5.482 1.00 89.73 C +ATOM 48 CG PRO A 8 1.854 -4.922 5.992 1.00 88.36 C +ATOM 49 CD PRO A 8 1.712 -3.839 4.959 1.00 90.80 C +HETATM 50 N HYP A 9 2.361 -8.114 3.331 1.00 91.98 N +HETATM 51 CA HYP A 9 1.601 -9.268 2.939 1.00 91.77 C +HETATM 52 C HYP A 9 0.616 -9.673 3.970 1.00 93.39 C +HETATM 53 O HYP A 9 0.822 -9.543 5.172 1.00 93.38 O +HETATM 54 CB HYP A 9 2.689 -10.365 2.833 1.00 88.39 C +HETATM 55 CG HYP A 9 3.946 -9.669 2.629 1.00 88.52 C +HETATM 56 CD HYP A 9 3.787 -8.415 3.415 1.00 91.22 C +HETATM 57 OD1 HYP A 9 4.076 -9.326 1.261 1.00 87.48 O +ATOM 58 N GLY A 10 -0.529 -10.127 3.546 1.00 90.82 N +ATOM 59 CA GLY A 10 -1.450 -10.810 4.416 1.00 89.56 C +ATOM 60 C GLY A 10 -0.969 -12.229 4.658 1.00 89.50 C +ATOM 61 O GLY A 10 0.084 -12.646 4.173 1.00 88.35 O +ATOM 62 N ILE A 11 -1.737 -12.991 5.393 1.00 92.63 N +ATOM 63 CA ILE A 11 -1.390 -14.386 5.627 1.00 92.93 C +ATOM 64 C ILE A 11 -1.532 -15.134 4.309 1.00 93.07 C +ATOM 65 O ILE A 11 -2.644 -15.371 3.829 1.00 91.24 O +ATOM 66 CB ILE A 11 -2.284 -15.002 6.709 1.00 92.29 C +ATOM 67 CG1 ILE A 11 -2.110 -14.262 8.034 1.00 89.15 C +ATOM 68 CG2 ILE A 11 -1.968 -16.487 6.878 1.00 86.56 C +ATOM 69 CD1 ILE A 11 -0.730 -14.402 8.638 1.00 80.61 C +ATOM 70 N GLY A 12 -0.403 -15.472 3.704 1.00 91.85 N +ATOM 71 CA GLY A 12 -0.401 -16.104 2.401 1.00 92.15 C +ATOM 72 C GLY A 12 -0.915 -15.212 1.298 1.00 93.29 C +ATOM 73 O GLY A 12 -1.229 -15.698 0.213 1.00 89.90 O +ATOM 74 N GLY A 13 -0.992 -13.922 1.552 1.00 93.44 N +ATOM 75 CA GLY A 13 -1.590 -13.005 0.613 1.00 92.73 C +ATOM 76 C GLY A 13 -0.609 -12.020 0.025 1.00 93.36 C +ATOM 77 O GLY A 13 0.541 -11.930 0.446 1.00 92.78 O +ATOM 78 N PRO A 14 -1.061 -11.295 -0.971 1.00 94.33 N +ATOM 79 CA PRO A 14 -0.213 -10.321 -1.646 1.00 94.17 C +ATOM 80 C PRO A 14 -0.016 -9.077 -0.802 1.00 94.40 C +ATOM 81 O PRO A 14 -0.696 -8.858 0.194 1.00 93.25 O +ATOM 82 CB PRO A 14 -0.991 -10.007 -2.920 1.00 92.82 C +ATOM 83 CG PRO A 14 -2.409 -10.167 -2.515 1.00 91.61 C +ATOM 84 CD PRO A 14 -2.419 -11.314 -1.538 1.00 92.91 C +HETATM 85 N HYP A 15 0.935 -8.313 -1.243 1.00 93.99 N +HETATM 86 CA HYP A 15 1.104 -7.015 -0.622 1.00 93.65 C +HETATM 87 C HYP A 15 -0.123 -6.189 -0.661 1.00 95.49 C +HETATM 88 O HYP A 15 -0.961 -6.338 -1.584 1.00 93.39 O +HETATM 89 CB HYP A 15 2.255 -6.449 -1.481 1.00 92.04 C +HETATM 90 CG HYP A 15 3.020 -7.688 -1.947 1.00 89.69 C +HETATM 91 CD HYP A 15 1.926 -8.667 -2.237 1.00 91.97 C +HETATM 92 OD1 HYP A 15 3.855 -8.166 -0.929 1.00 89.45 O +ATOM 93 N GLY A 16 -0.290 -5.362 0.319 1.00 94.13 N +ATOM 94 CA GLY A 16 -1.416 -4.469 0.360 1.00 94.18 C +ATOM 95 C GLY A 16 -1.342 -3.430 -0.736 1.00 94.60 C +ATOM 96 O GLY A 16 -0.355 -3.329 -1.462 1.00 94.23 O +ATOM 97 N PRO A 17 -2.398 -2.646 -0.850 1.00 93.54 N +ATOM 98 CA PRO A 17 -2.432 -1.613 -1.876 1.00 93.77 C +ATOM 99 C PRO A 17 -1.450 -0.496 -1.580 1.00 93.92 C +ATOM 100 O PRO A 17 -0.985 -0.332 -0.454 1.00 92.45 O +ATOM 101 CB PRO A 17 -3.871 -1.120 -1.832 1.00 92.45 C +ATOM 102 CG PRO A 17 -4.310 -1.408 -0.448 1.00 90.72 C +ATOM 103 CD PRO A 17 -3.617 -2.671 -0.048 1.00 92.25 C +HETATM 104 N HYP A 18 -1.115 0.264 -2.629 1.00 90.85 N +HETATM 105 CA HYP A 18 -0.304 1.394 -2.434 1.00 91.69 C +HETATM 106 C HYP A 18 -0.860 2.377 -1.475 1.00 92.68 C +HETATM 107 O HYP A 18 -2.103 2.494 -1.330 1.00 91.98 O +HETATM 108 CB HYP A 18 -0.254 1.991 -3.882 1.00 88.65 C +HETATM 109 CG HYP A 18 -0.486 0.813 -4.796 1.00 87.72 C +HETATM 110 CD HYP A 18 -1.491 0.004 -4.029 1.00 91.18 C +HETATM 111 OD1 HYP A 18 0.727 0.072 -4.921 1.00 87.48 O +ATOM 112 N GLY A 19 0.003 3.034 -0.768 1.00 91.32 N +ATOM 113 CA GLY A 19 -0.412 4.066 0.135 1.00 91.45 C +ATOM 114 C GLY A 19 -0.976 5.259 -0.610 1.00 91.62 C +ATOM 115 O GLY A 19 -0.896 5.350 -1.833 1.00 92.03 O +ATOM 116 N PRO A 20 -1.554 6.179 0.128 1.00 91.22 N +ATOM 117 CA PRO A 20 -2.127 7.359 -0.496 1.00 91.46 C +ATOM 118 C PRO A 20 -1.054 8.305 -1.003 1.00 90.91 C +ATOM 119 O PRO A 20 0.105 8.227 -0.601 1.00 89.72 O +ATOM 120 CB PRO A 20 -2.936 7.991 0.633 1.00 89.74 C +ATOM 121 CG PRO A 20 -2.221 7.563 1.865 1.00 87.86 C +ATOM 122 CD PRO A 20 -1.711 6.183 1.577 1.00 90.10 C +HETATM 123 N HYP A 21 -1.452 9.168 -1.907 1.00 90.65 N +HETATM 124 CA HYP A 21 -0.568 10.177 -2.376 1.00 91.36 C +HETATM 125 C HYP A 21 -0.073 11.098 -1.299 1.00 90.69 C +HETATM 126 O HYP A 21 -0.828 11.381 -0.361 1.00 91.41 O +HETATM 127 CB HYP A 21 -1.411 10.963 -3.404 1.00 87.86 C +HETATM 128 CG HYP A 21 -2.462 10.004 -3.851 1.00 86.16 C +HETATM 129 CD HYP A 21 -2.738 9.193 -2.616 1.00 90.36 C +HETATM 130 OD1 HYP A 21 -1.907 9.151 -4.850 1.00 84.81 O +ATOM 131 N GLY A 22 1.140 11.505 -1.375 1.00 91.12 N +ATOM 132 CA GLY A 22 1.660 12.502 -0.490 1.00 90.39 C +ATOM 133 C GLY A 22 1.078 13.863 -0.832 1.00 90.02 C +ATOM 134 O GLY A 22 0.367 14.021 -1.822 1.00 89.27 O +ATOM 135 N PRO A 23 1.388 14.875 -0.030 1.00 91.80 N +ATOM 136 CA PRO A 23 0.878 16.215 -0.283 1.00 91.86 C +ATOM 137 C PRO A 23 1.698 16.901 -1.362 1.00 90.44 C +ATOM 138 O PRO A 23 2.793 17.395 -1.099 1.00 87.58 O +ATOM 139 CB PRO A 23 1.029 16.892 1.073 1.00 89.02 C +ATOM 140 CG PRO A 23 2.191 16.208 1.691 1.00 85.82 C +ATOM 141 CD PRO A 23 2.164 14.786 1.187 1.00 89.27 C +HETATM 142 N HYP A 24 1.291 16.785 -2.543 1.00 92.98 N +HETATM 143 CA HYP A 24 2.100 16.805 -3.808 1.00 90.13 C +HETATM 144 C HYP A 24 2.880 15.709 -4.175 1.00 93.05 C +HETATM 145 O HYP A 24 4.162 15.965 -4.416 1.00 91.44 O +HETATM 146 CB HYP A 24 1.282 17.563 -4.797 1.00 89.19 C +HETATM 147 CG HYP A 24 0.611 18.582 -3.900 1.00 87.86 C +HETATM 148 CD HYP A 24 0.345 17.804 -2.571 1.00 90.47 C +HETATM 149 OD1 HYP A 24 -0.532 19.121 -4.460 1.00 87.82 O +HETATM 150 OXT HYP A 24 2.509 14.973 -5.308 1.00 85.50 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_462.txt b/protein_pdb_462.txt new file mode 100644 index 0000000000000000000000000000000000000000..0e18873bad7fac6f6c69a8326be165c0e5c79789 --- /dev/null +++ b/protein_pdb_462.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -16.468 -24.559 21.788 1.00 88.11 N +ATOM 2 CA GLY A 1 -15.951 -24.762 20.437 1.00 91.34 C +ATOM 3 C GLY A 1 -14.773 -23.853 20.161 1.00 91.53 C +ATOM 4 O GLY A 1 -14.506 -22.932 20.938 1.00 89.67 O +ATOM 5 N PRO A 2 -14.053 -24.065 19.071 1.00 92.71 N +ATOM 6 CA PRO A 2 -12.895 -23.234 18.744 1.00 94.29 C +ATOM 7 C PRO A 2 -13.307 -21.830 18.341 1.00 94.13 C +ATOM 8 O PRO A 2 -14.429 -21.606 17.904 1.00 93.29 O +ATOM 9 CB PRO A 2 -12.231 -23.982 17.580 1.00 92.53 C +ATOM 10 CG PRO A 2 -13.371 -24.690 16.935 1.00 89.35 C +ATOM 11 CD PRO A 2 -14.264 -25.108 18.076 1.00 90.89 C +HETATM 12 N HYP A 3 -12.492 -20.956 18.524 1.00 93.47 N +HETATM 13 CA HYP A 3 -12.665 -19.516 18.056 1.00 91.15 C +HETATM 14 C HYP A 3 -12.948 -19.431 16.581 1.00 90.75 C +HETATM 15 O HYP A 3 -12.434 -20.259 15.797 1.00 92.46 O +HETATM 16 CB HYP A 3 -11.327 -18.888 18.440 1.00 90.32 C +HETATM 17 CG HYP A 3 -10.729 -19.768 19.538 1.00 88.88 C +HETATM 18 CD HYP A 3 -11.176 -21.182 19.117 1.00 91.21 C +HETATM 19 OD1 HYP A 3 -11.281 -19.477 20.791 1.00 91.87 O +ATOM 20 N GLY A 4 -13.712 -18.445 16.162 1.00 94.00 N +ATOM 21 CA GLY A 4 -13.985 -18.236 14.764 1.00 93.85 C +ATOM 22 C GLY A 4 -12.750 -17.732 14.027 1.00 94.04 C +ATOM 23 O GLY A 4 -11.766 -17.339 14.650 1.00 93.75 O +ATOM 24 N PRO A 5 -12.795 -17.723 12.702 1.00 94.10 N +ATOM 25 CA PRO A 5 -11.641 -17.265 11.921 1.00 94.38 C +ATOM 26 C PRO A 5 -11.452 -15.762 12.032 1.00 94.31 C +ATOM 27 O PRO A 5 -12.390 -15.025 12.311 1.00 93.97 O +ATOM 28 CB PRO A 5 -11.999 -17.683 10.491 1.00 92.74 C +ATOM 29 CG PRO A 5 -13.484 -17.655 10.488 1.00 90.30 C +ATOM 30 CD PRO A 5 -13.889 -18.160 11.856 1.00 92.45 C +HETATM 31 N HYP A 6 -10.270 -15.352 11.840 1.00 92.09 N +HETATM 32 CA HYP A 6 -9.963 -13.858 11.782 1.00 93.65 C +HETATM 33 C HYP A 6 -10.708 -13.187 10.680 1.00 91.46 C +HETATM 34 O HYP A 6 -10.976 -13.802 9.610 1.00 91.18 O +HETATM 35 CB HYP A 6 -8.445 -13.887 11.514 1.00 86.75 C +HETATM 36 CG HYP A 6 -7.929 -15.233 12.023 1.00 86.17 C +HETATM 37 CD HYP A 6 -9.070 -16.171 11.715 1.00 91.74 C +HETATM 38 OD1 HYP A 6 -7.696 -15.191 13.418 1.00 89.11 O +ATOM 39 N GLY A 7 -11.053 -11.899 10.858 1.00 93.71 N +ATOM 40 CA GLY A 7 -11.729 -11.130 9.844 1.00 92.86 C +ATOM 41 C GLY A 7 -10.792 -10.803 8.686 1.00 93.12 C +ATOM 42 O GLY A 7 -9.586 -11.038 8.763 1.00 92.98 O +ATOM 43 N PRO A 8 -11.337 -10.236 7.615 1.00 94.02 N +ATOM 44 CA PRO A 8 -10.517 -9.897 6.451 1.00 93.96 C +ATOM 45 C PRO A 8 -9.616 -8.702 6.729 1.00 93.71 C +ATOM 46 O PRO A 8 -9.897 -7.892 7.612 1.00 92.50 O +ATOM 47 CB PRO A 8 -11.542 -9.584 5.370 1.00 92.60 C +ATOM 48 CG PRO A 8 -12.708 -9.075 6.146 1.00 92.25 C +ATOM 49 CD PRO A 8 -12.737 -9.916 7.400 1.00 93.96 C +HETATM 50 N HYP A 9 -8.565 -8.564 5.982 1.00 91.97 N +HETATM 51 CA HYP A 9 -7.663 -7.414 6.063 1.00 92.29 C +HETATM 52 C HYP A 9 -8.332 -6.144 5.692 1.00 90.65 C +HETATM 53 O HYP A 9 -9.223 -6.122 4.819 1.00 89.89 O +HETATM 54 CB HYP A 9 -6.547 -7.770 5.045 1.00 89.77 C +HETATM 55 CG HYP A 9 -6.564 -9.270 4.997 1.00 88.46 C +HETATM 56 CD HYP A 9 -8.013 -9.588 5.134 1.00 90.86 C +HETATM 57 OD1 HYP A 9 -5.854 -9.806 6.086 1.00 87.95 O +ATOM 58 N GLY A 10 -7.934 -5.017 6.296 1.00 92.06 N +ATOM 59 CA GLY A 10 -8.484 -3.721 5.979 1.00 90.67 C +ATOM 60 C GLY A 10 -8.124 -3.291 4.565 1.00 91.15 C +ATOM 61 O GLY A 10 -7.229 -3.857 3.928 1.00 90.02 O +ATOM 62 N MET A 11 -8.823 -2.267 4.073 1.00 91.89 N +ATOM 63 CA MET A 11 -8.561 -1.748 2.740 1.00 91.91 C +ATOM 64 C MET A 11 -7.239 -0.990 2.698 1.00 91.45 C +ATOM 65 O MET A 11 -6.880 -0.289 3.637 1.00 88.37 O +ATOM 66 CB MET A 11 -9.681 -0.810 2.299 1.00 88.52 C +ATOM 67 CG MET A 11 -10.998 -1.502 2.059 1.00 83.79 C +ATOM 68 SD MET A 11 -12.295 -0.333 1.623 1.00 80.50 S +ATOM 69 CE MET A 11 -11.692 0.283 0.062 1.00 74.63 C +ATOM 70 N LEU A 12 -6.523 -1.134 1.577 1.00 89.18 N +ATOM 71 CA LEU A 12 -5.285 -0.392 1.378 1.00 89.41 C +ATOM 72 C LEU A 12 -5.644 1.059 1.087 1.00 89.98 C +ATOM 73 O LEU A 12 -6.595 1.329 0.356 1.00 86.98 O +ATOM 74 CB LEU A 12 -4.496 -0.996 0.206 1.00 86.28 C +ATOM 75 CG LEU A 12 -3.135 -0.363 -0.096 1.00 79.42 C +ATOM 76 CD1 LEU A 12 -2.174 -0.560 1.048 1.00 77.65 C +ATOM 77 CD2 LEU A 12 -2.559 -0.969 -1.375 1.00 74.86 C +ATOM 78 N GLY A 13 -4.888 1.971 1.691 1.00 90.26 N +ATOM 79 CA GLY A 13 -5.152 3.385 1.496 1.00 89.09 C +ATOM 80 C GLY A 13 -4.858 3.858 0.085 1.00 89.64 C +ATOM 81 O GLY A 13 -4.292 3.125 -0.725 1.00 90.51 O +ATOM 82 N PRO A 14 -5.230 5.109 -0.246 1.00 90.33 N +ATOM 83 CA PRO A 14 -5.003 5.650 -1.581 1.00 91.67 C +ATOM 84 C PRO A 14 -3.524 5.921 -1.835 1.00 91.71 C +ATOM 85 O PRO A 14 -2.733 6.010 -0.904 1.00 91.41 O +ATOM 86 CB PRO A 14 -5.815 6.946 -1.585 1.00 90.22 C +ATOM 87 CG PRO A 14 -5.801 7.363 -0.153 1.00 88.91 C +ATOM 88 CD PRO A 14 -5.899 6.072 0.623 1.00 89.35 C +HETATM 89 N HYP A 15 -3.172 6.093 -3.134 1.00 83.17 N +HETATM 90 CA HYP A 15 -1.803 6.432 -3.496 1.00 86.06 C +HETATM 91 C HYP A 15 -1.353 7.751 -2.891 1.00 86.18 C +HETATM 92 O HYP A 15 -2.197 8.651 -2.671 1.00 84.77 O +HETATM 93 CB HYP A 15 -1.912 6.577 -5.039 1.00 80.89 C +HETATM 94 CG HYP A 15 -3.058 5.664 -5.382 1.00 80.84 C +HETATM 95 CD HYP A 15 -4.010 5.865 -4.246 1.00 84.89 C +HETATM 96 OD1 HYP A 15 -2.653 4.341 -5.430 1.00 84.20 O +ATOM 97 N GLY A 16 -0.099 7.836 -2.551 1.00 93.43 N +ATOM 98 CA GLY A 16 0.422 9.058 -1.995 1.00 92.25 C +ATOM 99 C GLY A 16 0.476 10.162 -3.033 1.00 92.54 C +ATOM 100 O GLY A 16 0.263 9.919 -4.226 1.00 93.01 O +ATOM 101 N PRO A 17 0.773 11.410 -2.599 1.00 89.51 N +ATOM 102 CA PRO A 17 0.837 12.532 -3.536 1.00 90.65 C +ATOM 103 C PRO A 17 2.060 12.443 -4.433 1.00 90.73 C +ATOM 104 O PRO A 17 3.043 11.789 -4.100 1.00 90.76 O +ATOM 105 CB PRO A 17 0.901 13.748 -2.616 1.00 88.78 C +ATOM 106 CG PRO A 17 1.566 13.223 -1.392 1.00 86.44 C +ATOM 107 CD PRO A 17 1.029 11.821 -1.228 1.00 87.14 C +HETATM 108 N HYP A 18 2.014 13.113 -5.603 1.00 87.09 N +HETATM 109 CA HYP A 18 3.171 13.205 -6.470 1.00 90.26 C +HETATM 110 C HYP A 18 4.354 13.885 -5.842 1.00 86.67 C +HETATM 111 O HYP A 18 4.182 14.783 -4.980 1.00 88.77 O +HETATM 112 CB HYP A 18 2.616 14.034 -7.643 1.00 85.97 C +HETATM 113 CG HYP A 18 1.137 13.769 -7.657 1.00 82.58 C +HETATM 114 CD HYP A 18 0.824 13.654 -6.201 1.00 86.86 C +HETATM 115 OD1 HYP A 18 0.842 12.569 -8.294 1.00 88.47 O +ATOM 116 N GLY A 19 5.565 13.456 -6.156 1.00 90.94 N +ATOM 117 CA GLY A 19 6.765 14.036 -5.620 1.00 90.27 C +ATOM 118 C GLY A 19 6.978 15.447 -6.149 1.00 90.94 C +ATOM 119 O GLY A 19 6.283 15.894 -7.063 1.00 90.97 O +ATOM 120 N PRO A 20 7.956 16.173 -5.596 1.00 86.80 N +ATOM 121 CA PRO A 20 8.231 17.534 -6.042 1.00 87.47 C +ATOM 122 C PRO A 20 8.890 17.550 -7.408 1.00 87.14 C +ATOM 123 O PRO A 20 9.467 16.558 -7.845 1.00 87.21 O +ATOM 124 CB PRO A 20 9.165 18.068 -4.960 1.00 84.35 C +ATOM 125 CG PRO A 20 9.878 16.849 -4.484 1.00 81.82 C +ATOM 126 CD PRO A 20 8.836 15.758 -4.509 1.00 83.47 C +HETATM 127 N HYP A 21 8.837 18.670 -8.127 1.00 90.96 N +HETATM 128 CA HYP A 21 9.523 18.854 -9.404 1.00 88.59 C +HETATM 129 C HYP A 21 11.033 18.724 -9.301 1.00 88.05 C +HETATM 130 O HYP A 21 11.614 19.062 -8.258 1.00 91.51 O +HETATM 131 CB HYP A 21 9.170 20.326 -9.746 1.00 88.30 C +HETATM 132 CG HYP A 21 7.863 20.589 -9.033 1.00 81.84 C +HETATM 133 CD HYP A 21 8.018 19.814 -7.771 1.00 87.68 C +HETATM 134 OD1 HYP A 21 6.759 20.087 -9.760 1.00 89.62 O +ATOM 135 N GLY A 22 11.691 18.182 -10.297 1.00 89.34 N +ATOM 136 CA GLY A 22 13.127 18.044 -10.308 1.00 88.95 C +ATOM 137 C GLY A 22 13.804 19.406 -10.378 1.00 89.24 C +ATOM 138 O GLY A 22 13.137 20.429 -10.540 1.00 87.85 O +ATOM 139 N PRO A 23 15.136 19.462 -10.298 1.00 89.00 N +ATOM 140 CA PRO A 23 15.857 20.731 -10.348 1.00 89.85 C +ATOM 141 C PRO A 23 15.789 21.334 -11.740 1.00 89.20 C +ATOM 142 O PRO A 23 15.641 20.624 -12.729 1.00 86.09 O +ATOM 143 CB PRO A 23 17.279 20.355 -9.950 1.00 85.86 C +ATOM 144 CG PRO A 23 17.401 18.937 -10.380 1.00 83.21 C +ATOM 145 CD PRO A 23 16.051 18.334 -10.118 1.00 85.67 C +HETATM 146 N HYP A 24 15.979 22.666 -11.900 1.00 90.37 N +HETATM 147 CA HYP A 24 15.893 23.279 -13.237 1.00 87.33 C +HETATM 148 C HYP A 24 17.051 22.770 -14.086 1.00 89.05 C +HETATM 149 O HYP A 24 18.168 23.244 -14.023 1.00 88.40 O +HETATM 150 CB HYP A 24 16.129 24.790 -12.943 1.00 88.73 C +HETATM 151 CG HYP A 24 15.828 24.977 -11.496 1.00 87.36 C +HETATM 152 CD HYP A 24 16.191 23.634 -10.863 1.00 89.43 C +HETATM 153 OD1 HYP A 24 14.448 25.210 -11.321 1.00 86.73 O +HETATM 154 OXT HYP A 24 16.747 21.791 -14.735 1.00 84.43 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_463.txt b/protein_pdb_463.txt new file mode 100644 index 0000000000000000000000000000000000000000..b8e3129b3f21c3b502c7d5ea5cb51a785f72a4e5 --- /dev/null +++ b/protein_pdb_463.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 6.686 -3.904 -13.404 1.00 85.90 N +ATOM 2 CA GLY A 1 6.949 -2.538 -12.988 1.00 87.92 C +ATOM 3 C GLY A 1 7.257 -2.469 -11.516 1.00 89.01 C +ATOM 4 O GLY A 1 7.227 -3.481 -10.821 1.00 86.15 O +ATOM 5 N PRO A 2 7.543 -1.272 -10.968 1.00 88.90 N +ATOM 6 CA PRO A 2 7.869 -1.117 -9.559 1.00 89.68 C +ATOM 7 C PRO A 2 6.668 -1.340 -8.658 1.00 89.34 C +ATOM 8 O PRO A 2 5.528 -1.297 -9.100 1.00 87.47 O +ATOM 9 CB PRO A 2 8.370 0.320 -9.476 1.00 86.23 C +ATOM 10 CG PRO A 2 7.655 1.004 -10.578 1.00 82.67 C +ATOM 11 CD PRO A 2 7.590 -0.005 -11.693 1.00 85.25 C +HETATM 12 N HYP A 3 6.958 -1.608 -7.430 1.00 89.68 N +HETATM 13 CA HYP A 3 5.880 -1.725 -6.433 1.00 87.18 C +HETATM 14 C HYP A 3 5.068 -0.462 -6.373 1.00 87.87 C +HETATM 15 O HYP A 3 5.601 0.647 -6.617 1.00 90.36 O +HETATM 16 CB HYP A 3 6.671 -1.930 -5.108 1.00 87.07 C +HETATM 17 CG HYP A 3 7.952 -2.609 -5.546 1.00 84.86 C +HETATM 18 CD HYP A 3 8.255 -1.881 -6.876 1.00 88.87 C +HETATM 19 OD1 HYP A 3 7.691 -3.957 -5.795 1.00 87.83 O +ATOM 20 N GLY A 4 3.790 -0.652 -6.102 1.00 92.22 N +ATOM 21 CA GLY A 4 2.904 0.475 -5.977 1.00 91.68 C +ATOM 22 C GLY A 4 3.219 1.290 -4.737 1.00 92.50 C +ATOM 23 O GLY A 4 4.007 0.878 -3.888 1.00 92.92 O +ATOM 24 N PRO A 5 2.602 2.462 -4.621 1.00 92.21 N +ATOM 25 CA PRO A 5 2.834 3.311 -3.464 1.00 92.68 C +ATOM 26 C PRO A 5 2.179 2.739 -2.216 1.00 92.23 C +ATOM 27 O PRO A 5 1.302 1.882 -2.299 1.00 90.71 O +ATOM 28 CB PRO A 5 2.207 4.638 -3.873 1.00 90.59 C +ATOM 29 CG PRO A 5 1.102 4.229 -4.790 1.00 88.44 C +ATOM 30 CD PRO A 5 1.655 3.065 -5.558 1.00 91.33 C +HETATM 31 N HYP A 6 2.635 3.221 -1.064 1.00 93.35 N +HETATM 32 CA HYP A 6 2.021 2.819 0.172 1.00 93.89 C +HETATM 33 C HYP A 6 0.564 3.181 0.222 1.00 93.59 C +HETATM 34 O HYP A 6 0.138 4.206 -0.362 1.00 92.66 O +HETATM 35 CB HYP A 6 2.815 3.694 1.208 1.00 90.18 C +HETATM 36 CG HYP A 6 4.128 3.913 0.549 1.00 89.02 C +HETATM 37 CD HYP A 6 3.736 4.109 -0.903 1.00 91.57 C +HETATM 38 OD1 HYP A 6 4.922 2.754 0.677 1.00 88.20 O +ATOM 39 N GLY A 7 -0.194 2.327 0.855 1.00 93.81 N +ATOM 40 CA GLY A 7 -1.599 2.578 0.999 1.00 93.09 C +ATOM 41 C GLY A 7 -1.853 3.770 1.896 1.00 93.62 C +ATOM 42 O GLY A 7 -0.948 4.277 2.554 1.00 93.54 O +ATOM 43 N PRO A 8 -3.083 4.232 1.926 1.00 93.92 N +ATOM 44 CA PRO A 8 -3.424 5.363 2.773 1.00 93.86 C +ATOM 45 C PRO A 8 -3.483 4.954 4.234 1.00 93.84 C +ATOM 46 O PRO A 8 -3.574 3.781 4.565 1.00 92.25 O +ATOM 47 CB PRO A 8 -4.796 5.784 2.256 1.00 91.75 C +ATOM 48 CG PRO A 8 -5.391 4.502 1.794 1.00 90.44 C +ATOM 49 CD PRO A 8 -4.239 3.743 1.171 1.00 92.48 C +HETATM 50 N HYP A 9 -3.418 5.960 5.095 1.00 92.67 N +HETATM 51 CA HYP A 9 -3.599 5.701 6.491 1.00 91.18 C +HETATM 52 C HYP A 9 -4.974 5.173 6.764 1.00 93.17 C +HETATM 53 O HYP A 9 -5.937 5.504 6.065 1.00 91.01 O +HETATM 54 CB HYP A 9 -3.490 7.112 7.134 1.00 88.00 C +HETATM 55 CG HYP A 9 -2.661 7.882 6.182 1.00 87.92 C +HETATM 56 CD HYP A 9 -3.071 7.365 4.834 1.00 91.14 C +HETATM 57 OD1 HYP A 9 -1.300 7.583 6.383 1.00 87.55 O +ATOM 58 N GLY A 10 -5.135 4.326 7.743 1.00 93.29 N +ATOM 59 CA GLY A 10 -6.447 3.864 8.134 1.00 91.08 C +ATOM 60 C GLY A 10 -7.170 4.970 8.884 1.00 91.01 C +ATOM 61 O GLY A 10 -6.764 6.130 8.865 1.00 89.67 O +ATOM 62 N GLU A 11 -8.245 4.596 9.566 1.00 89.57 N +ATOM 63 CA GLU A 11 -8.968 5.562 10.382 1.00 91.34 C +ATOM 64 C GLU A 11 -7.988 6.290 11.297 1.00 90.97 C +ATOM 65 O GLU A 11 -8.076 7.497 11.496 1.00 87.50 O +ATOM 66 CB GLU A 11 -10.027 4.824 11.201 1.00 88.42 C +ATOM 67 CG GLU A 11 -10.809 5.733 12.125 1.00 81.50 C +ATOM 68 CD GLU A 11 -11.855 4.969 12.927 1.00 76.36 C +ATOM 69 OE1 GLU A 11 -12.437 4.019 12.384 1.00 71.80 O +ATOM 70 OE2 GLU A 11 -12.075 5.329 14.094 1.00 72.79 O +ATOM 71 N PHE A 12 -7.035 5.528 11.819 1.00 92.70 N +ATOM 72 CA PHE A 12 -5.952 6.057 12.626 1.00 93.55 C +ATOM 73 C PHE A 12 -4.846 5.002 12.608 1.00 93.57 C +ATOM 74 O PHE A 12 -5.037 3.902 13.126 1.00 90.78 O +ATOM 75 CB PHE A 12 -6.401 6.316 14.069 1.00 91.86 C +ATOM 76 CG PHE A 12 -5.302 6.859 14.934 1.00 88.86 C +ATOM 77 CD1 PHE A 12 -4.959 8.193 14.866 1.00 87.09 C +ATOM 78 CD2 PHE A 12 -4.593 6.037 15.793 1.00 85.07 C +ATOM 79 CE1 PHE A 12 -3.922 8.705 15.632 1.00 83.92 C +ATOM 80 CE2 PHE A 12 -3.554 6.538 16.562 1.00 85.78 C +ATOM 81 CZ PHE A 12 -3.215 7.879 16.485 1.00 85.25 C +ATOM 82 N GLY A 13 -3.726 5.322 11.994 1.00 94.49 N +ATOM 83 CA GLY A 13 -2.660 4.344 11.922 1.00 94.04 C +ATOM 84 C GLY A 13 -1.725 4.620 10.773 1.00 94.53 C +ATOM 85 O GLY A 13 -1.906 5.583 10.029 1.00 94.22 O +ATOM 86 N PRO A 14 -0.707 3.780 10.624 1.00 94.02 N +ATOM 87 CA PRO A 14 0.291 3.966 9.584 1.00 94.07 C +ATOM 88 C PRO A 14 -0.256 3.672 8.202 1.00 93.91 C +ATOM 89 O PRO A 14 -1.313 3.068 8.043 1.00 92.56 O +ATOM 90 CB PRO A 14 1.387 2.977 9.968 1.00 92.21 C +ATOM 91 CG PRO A 14 0.641 1.875 10.635 1.00 91.10 C +ATOM 92 CD PRO A 14 -0.436 2.573 11.417 1.00 92.36 C +HETATM 93 N HYP A 15 0.520 4.122 7.233 1.00 94.29 N +HETATM 94 CA HYP A 15 0.186 3.793 5.860 1.00 93.57 C +HETATM 95 C HYP A 15 0.217 2.321 5.605 1.00 94.58 C +HETATM 96 O HYP A 15 0.926 1.577 6.319 1.00 93.42 O +HETATM 97 CB HYP A 15 1.375 4.495 5.107 1.00 90.75 C +HETATM 98 CG HYP A 15 1.815 5.616 6.037 1.00 89.24 C +HETATM 99 CD HYP A 15 1.656 4.985 7.403 1.00 91.99 C +HETATM 100 OD1 HYP A 15 0.955 6.707 5.904 1.00 89.17 O +ATOM 101 N GLY A 16 -0.578 1.877 4.662 1.00 95.30 N +ATOM 102 CA GLY A 16 -0.582 0.489 4.299 1.00 95.15 C +ATOM 103 C GLY A 16 0.703 0.102 3.596 1.00 95.41 C +ATOM 104 O GLY A 16 1.543 0.947 3.293 1.00 95.09 O +ATOM 105 N PRO A 17 0.867 -1.199 3.330 1.00 93.84 N +ATOM 106 CA PRO A 17 2.068 -1.670 2.660 1.00 93.89 C +ATOM 107 C PRO A 17 2.084 -1.263 1.198 1.00 94.13 C +ATOM 108 O PRO A 17 1.062 -0.901 0.628 1.00 92.79 O +ATOM 109 CB PRO A 17 1.988 -3.188 2.825 1.00 91.97 C +ATOM 110 CG PRO A 17 0.526 -3.448 2.885 1.00 90.52 C +ATOM 111 CD PRO A 17 -0.051 -2.292 3.645 1.00 92.58 C +HETATM 112 N HYP A 18 3.260 -1.331 0.597 1.00 92.47 N +HETATM 113 CA HYP A 18 3.383 -1.082 -0.797 1.00 93.08 C +HETATM 114 C HYP A 18 2.540 -2.005 -1.623 1.00 93.36 C +HETATM 115 O HYP A 18 2.315 -3.181 -1.228 1.00 90.78 O +HETATM 116 CB HYP A 18 4.879 -1.381 -1.073 1.00 89.18 C +HETATM 117 CG HYP A 18 5.555 -1.120 0.246 1.00 88.72 C +HETATM 118 CD HYP A 18 4.509 -1.624 1.235 1.00 92.48 C +HETATM 119 OD1 HYP A 18 5.716 0.289 0.425 1.00 87.55 O +ATOM 120 N GLY A 19 2.035 -1.524 -2.721 1.00 90.62 N +ATOM 121 CA GLY A 19 1.266 -2.335 -3.621 1.00 90.55 C +ATOM 122 C GLY A 19 2.150 -3.336 -4.339 1.00 91.21 C +ATOM 123 O GLY A 19 3.376 -3.294 -4.243 1.00 91.93 O +ATOM 124 N PRO A 20 1.531 -4.252 -5.065 1.00 86.30 N +ATOM 125 CA PRO A 20 2.286 -5.258 -5.794 1.00 86.96 C +ATOM 126 C PRO A 20 2.992 -4.657 -6.990 1.00 86.82 C +ATOM 127 O PRO A 20 2.690 -3.548 -7.425 1.00 87.54 O +ATOM 128 CB PRO A 20 1.210 -6.259 -6.216 1.00 84.07 C +ATOM 129 CG PRO A 20 -0.005 -5.413 -6.365 1.00 80.28 C +ATOM 130 CD PRO A 20 0.090 -4.399 -5.254 1.00 83.55 C +HETATM 131 N HYP A 21 3.972 -5.390 -7.501 1.00 89.66 N +HETATM 132 CA HYP A 21 4.613 -4.982 -8.709 1.00 88.09 C +HETATM 133 C HYP A 21 3.679 -4.746 -9.860 1.00 89.97 C +HETATM 134 O HYP A 21 2.660 -5.447 -9.953 1.00 92.30 O +HETATM 135 CB HYP A 21 5.578 -6.138 -9.039 1.00 86.94 C +HETATM 136 CG HYP A 21 5.880 -6.758 -7.694 1.00 83.63 C +HETATM 137 CD HYP A 21 4.559 -6.612 -6.946 1.00 89.87 C +HETATM 138 OD1 HYP A 21 6.853 -5.955 -7.010 1.00 85.07 O +ATOM 139 N GLY A 22 3.943 -3.726 -10.643 1.00 85.54 N +ATOM 140 CA GLY A 22 3.130 -3.428 -11.781 1.00 83.07 C +ATOM 141 C GLY A 22 3.329 -4.472 -12.873 1.00 82.52 C +ATOM 142 O GLY A 22 4.105 -5.414 -12.718 1.00 82.96 O +ATOM 143 N PRO A 23 2.638 -4.305 -14.002 1.00 89.90 N +ATOM 144 CA PRO A 23 2.774 -5.261 -15.091 1.00 89.69 C +ATOM 145 C PRO A 23 4.174 -5.235 -15.672 1.00 87.72 C +ATOM 146 O PRO A 23 4.897 -4.257 -15.552 1.00 83.49 O +ATOM 147 CB PRO A 23 1.723 -4.806 -16.096 1.00 85.47 C +ATOM 148 CG PRO A 23 1.588 -3.353 -15.829 1.00 82.55 C +ATOM 149 CD PRO A 23 1.740 -3.221 -14.335 1.00 86.84 C +HETATM 150 N HYP A 24 4.586 -6.252 -16.288 1.00 93.09 N +HETATM 151 CA HYP A 24 5.944 -6.320 -16.796 1.00 83.42 C +HETATM 152 C HYP A 24 6.626 -5.060 -16.923 1.00 90.18 C +HETATM 153 O HYP A 24 6.508 -4.392 -17.969 1.00 84.00 O +HETATM 154 CB HYP A 24 5.944 -7.270 -17.924 1.00 85.18 C +HETATM 155 CG HYP A 24 4.603 -7.972 -17.885 1.00 84.90 C +HETATM 156 CD HYP A 24 3.719 -7.150 -16.963 1.00 90.04 C +HETATM 157 OD1 HYP A 24 4.746 -9.241 -17.269 1.00 82.99 O +HETATM 158 OXT HYP A 24 7.471 -4.753 -16.034 1.00 83.81 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_464.txt b/protein_pdb_464.txt new file mode 100644 index 0000000000000000000000000000000000000000..c8cf4b0c69f5544b0aa4b1dc353625568b7bc9e3 --- /dev/null +++ b/protein_pdb_464.txt @@ -0,0 +1,212 @@ +ATOM 1 N GLY A 1 -28.081 33.477 -5.730 1.00 95.92 N +ATOM 2 CA GLY A 1 -26.862 33.675 -4.937 1.00 96.44 C +ATOM 3 C GLY A 1 -25.631 33.212 -5.688 1.00 96.74 C +ATOM 4 O GLY A 1 -25.753 32.575 -6.737 1.00 96.02 O +ATOM 5 N PRO A 2 -24.431 33.490 -5.170 1.00 98.21 N +ATOM 6 CA PRO A 2 -23.197 33.076 -5.831 1.00 98.19 C +ATOM 7 C PRO A 2 -23.022 31.559 -5.772 1.00 98.33 C +ATOM 8 O PRO A 2 -23.629 30.887 -4.949 1.00 98.03 O +ATOM 9 CB PRO A 2 -22.112 33.799 -5.040 1.00 97.06 C +ATOM 10 CG PRO A 2 -22.702 33.935 -3.680 1.00 94.98 C +ATOM 11 CD PRO A 2 -24.169 34.212 -3.936 1.00 97.08 C +HETATM 12 N HYP A 3 -22.226 31.057 -6.654 1.00 97.38 N +HETATM 13 CA HYP A 3 -21.886 29.632 -6.677 1.00 97.56 C +HETATM 14 C HYP A 3 -21.270 29.152 -5.351 1.00 97.28 C +HETATM 15 O HYP A 3 -20.561 29.940 -4.687 1.00 97.11 O +HETATM 16 CB HYP A 3 -20.893 29.483 -7.835 1.00 96.12 C +HETATM 17 CG HYP A 3 -21.198 30.669 -8.736 1.00 95.27 C +HETATM 18 CD HYP A 3 -21.563 31.769 -7.733 1.00 97.23 C +HETATM 19 OD1 HYP A 3 -22.267 30.454 -9.603 1.00 96.28 O +ATOM 20 N GLY A 4 -21.572 27.901 -5.014 1.00 98.14 N +ATOM 21 CA GLY A 4 -21.048 27.355 -3.790 1.00 97.96 C +ATOM 22 C GLY A 4 -19.547 27.121 -3.885 1.00 98.13 C +ATOM 23 O GLY A 4 -18.958 27.205 -4.971 1.00 98.16 O +ATOM 24 N PRO A 5 -18.902 26.805 -2.752 1.00 98.34 N +ATOM 25 CA PRO A 5 -17.464 26.560 -2.742 1.00 98.26 C +ATOM 26 C PRO A 5 -17.126 25.253 -3.456 1.00 98.41 C +ATOM 27 O PRO A 5 -17.978 24.384 -3.616 1.00 98.20 O +ATOM 28 CB PRO A 5 -17.127 26.508 -1.250 1.00 97.42 C +ATOM 29 CG PRO A 5 -18.385 25.990 -0.637 1.00 95.77 C +ATOM 30 CD PRO A 5 -19.488 26.655 -1.432 1.00 97.65 C +HETATM 31 N HYP A 6 -15.906 25.119 -3.893 1.00 98.16 N +HETATM 32 CA HYP A 6 -15.431 23.852 -4.461 1.00 97.88 C +HETATM 33 C HYP A 6 -15.588 22.662 -3.569 1.00 97.98 C +HETATM 34 O HYP A 6 -15.518 22.840 -2.355 1.00 97.36 O +HETATM 35 CB HYP A 6 -13.945 24.177 -4.845 1.00 96.69 C +HETATM 36 CG HYP A 6 -13.908 25.693 -5.036 1.00 96.06 C +HETATM 37 CD HYP A 6 -14.919 26.182 -3.977 1.00 97.50 C +HETATM 38 OD1 HYP A 6 -14.350 26.069 -6.316 1.00 95.27 O +ATOM 39 N GLY A 7 -15.837 21.484 -4.135 1.00 98.23 N +ATOM 40 CA GLY A 7 -16.033 20.284 -3.361 1.00 98.15 C +ATOM 41 C GLY A 7 -14.784 19.875 -2.614 1.00 98.38 C +ATOM 42 O GLY A 7 -13.684 20.368 -2.878 1.00 98.36 O +ATOM 43 N ARG A 8 -14.964 18.936 -1.669 1.00 98.35 N +ATOM 44 CA ARG A 8 -13.853 18.417 -0.878 1.00 98.38 C +ATOM 45 C ARG A 8 -12.903 17.631 -1.762 1.00 98.47 C +ATOM 46 O ARG A 8 -13.310 17.090 -2.790 1.00 98.33 O +ATOM 47 CB ARG A 8 -14.374 17.504 0.222 1.00 97.56 C +ATOM 48 CG ARG A 8 -15.181 18.218 1.286 1.00 93.23 C +ATOM 49 CD ARG A 8 -15.766 17.202 2.262 1.00 90.69 C +ATOM 50 NE ARG A 8 -16.573 17.835 3.303 1.00 85.67 N +ATOM 51 CZ ARG A 8 -16.164 18.101 4.542 1.00 82.72 C +ATOM 52 NH1 ARG A 8 -14.929 17.799 4.912 1.00 79.75 N +ATOM 53 NH2 ARG A 8 -16.982 18.659 5.406 1.00 79.39 N +HETATM 54 N HYP A 9 -11.672 17.549 -1.402 1.00 98.17 N +HETATM 55 CA HYP A 9 -10.718 16.694 -2.101 1.00 97.91 C +HETATM 56 C HYP A 9 -11.115 15.252 -2.117 1.00 97.71 C +HETATM 57 O HYP A 9 -11.742 14.792 -1.159 1.00 97.21 O +HETATM 58 CB HYP A 9 -9.363 16.904 -1.350 1.00 96.62 C +HETATM 59 CG HYP A 9 -9.501 18.223 -0.646 1.00 95.98 C +HETATM 60 CD HYP A 9 -10.982 18.299 -0.321 1.00 97.06 C +HETATM 61 OD1 HYP A 9 -9.154 19.310 -1.494 1.00 94.47 O +ATOM 62 N GLY A 10 -10.757 14.521 -3.158 1.00 98.02 N +ATOM 63 CA GLY A 10 -11.077 13.116 -3.263 1.00 97.89 C +ATOM 64 C GLY A 10 -10.392 12.311 -2.169 1.00 97.94 C +ATOM 65 O GLY A 10 -9.450 12.777 -1.522 1.00 97.92 O +ATOM 66 N LYS A 11 -10.865 11.071 -1.987 1.00 98.28 N +ATOM 67 CA LYS A 11 -10.288 10.185 -0.983 1.00 98.13 C +ATOM 68 C LYS A 11 -8.857 9.826 -1.364 1.00 98.22 C +ATOM 69 O LYS A 11 -8.513 9.739 -2.546 1.00 97.94 O +ATOM 70 CB LYS A 11 -11.114 8.908 -0.857 1.00 97.54 C +ATOM 71 CG LYS A 11 -12.510 9.148 -0.311 1.00 93.95 C +ATOM 72 CD LYS A 11 -13.285 7.841 -0.198 1.00 90.95 C +ATOM 73 CE LYS A 11 -14.682 8.063 0.358 1.00 84.94 C +ATOM 74 NZ LYS A 11 -15.450 6.798 0.438 1.00 81.04 N +ATOM 75 N ARG A 12 -8.019 9.585 -0.346 1.00 97.83 N +ATOM 76 CA ARG A 12 -6.634 9.197 -0.592 1.00 97.89 C +ATOM 77 C ARG A 12 -6.603 7.796 -1.207 1.00 97.90 C +ATOM 78 O ARG A 12 -7.384 6.927 -0.842 1.00 97.43 O +ATOM 79 CB ARG A 12 -5.848 9.216 0.724 1.00 96.83 C +ATOM 80 CG ARG A 12 -4.367 8.911 0.549 1.00 92.09 C +ATOM 81 CD ARG A 12 -3.641 8.988 1.874 1.00 87.77 C +ATOM 82 NE ARG A 12 -3.614 10.349 2.422 1.00 82.22 N +ATOM 83 CZ ARG A 12 -2.776 11.293 2.038 1.00 78.15 C +ATOM 84 NH1 ARG A 12 -1.859 11.068 1.107 1.00 74.88 N +ATOM 85 NH2 ARG A 12 -2.838 12.493 2.585 1.00 73.02 N +ATOM 86 N GLY A 13 -5.703 7.596 -2.156 1.00 97.47 N +ATOM 87 CA GLY A 13 -5.576 6.305 -2.802 1.00 97.08 C +ATOM 88 C GLY A 13 -5.205 5.215 -1.808 1.00 97.20 C +ATOM 89 O GLY A 13 -4.645 5.489 -0.744 1.00 97.51 O +ATOM 90 N LYS A 14 -5.503 3.963 -2.177 1.00 98.08 N +ATOM 91 CA LYS A 14 -5.193 2.829 -1.319 1.00 98.10 C +ATOM 92 C LYS A 14 -3.682 2.666 -1.211 1.00 98.21 C +ATOM 93 O LYS A 14 -2.932 2.985 -2.135 1.00 97.91 O +ATOM 94 CB LYS A 14 -5.801 1.543 -1.882 1.00 97.56 C +ATOM 95 CG LYS A 14 -7.320 1.548 -1.898 1.00 93.40 C +ATOM 96 CD LYS A 14 -7.858 0.252 -2.482 1.00 89.80 C +ATOM 97 CE LYS A 14 -9.380 0.242 -2.520 1.00 82.98 C +ATOM 98 NZ LYS A 14 -9.899 -1.007 -3.122 1.00 77.59 N +ATOM 99 N GLN A 15 -3.230 2.145 -0.064 1.00 97.69 N +ATOM 100 CA GLN A 15 -1.804 1.893 0.126 1.00 97.89 C +ATOM 101 C GLN A 15 -1.385 0.748 -0.791 1.00 97.80 C +ATOM 102 O GLN A 15 -2.140 -0.205 -1.006 1.00 96.83 O +ATOM 103 CB GLN A 15 -1.523 1.535 1.586 1.00 97.00 C +ATOM 104 CG GLN A 15 -0.040 1.353 1.881 1.00 93.05 C +ATOM 105 CD GLN A 15 0.229 1.120 3.354 1.00 86.71 C +ATOM 106 OE1 GLN A 15 -0.688 0.974 4.151 1.00 83.34 O +ATOM 107 NE2 GLN A 15 1.491 1.076 3.732 1.00 80.49 N +ATOM 108 N GLY A 16 -0.190 0.855 -1.342 1.00 97.92 N +ATOM 109 CA GLY A 16 0.306 -0.184 -2.232 1.00 97.62 C +ATOM 110 C GLY A 16 0.418 -1.525 -1.529 1.00 97.73 C +ATOM 111 O GLY A 16 0.580 -1.596 -0.312 1.00 97.77 O +ATOM 112 N GLN A 17 0.344 -2.606 -2.317 1.00 97.81 N +ATOM 113 CA GLN A 17 0.452 -3.951 -1.767 1.00 97.74 C +ATOM 114 C GLN A 17 1.867 -4.192 -1.247 1.00 97.97 C +ATOM 115 O GLN A 17 2.837 -3.644 -1.760 1.00 97.58 O +ATOM 116 CB GLN A 17 0.122 -4.992 -2.829 1.00 96.54 C +ATOM 117 CG GLN A 17 -1.330 -4.966 -3.273 1.00 91.14 C +ATOM 118 CD GLN A 17 -1.622 -6.040 -4.311 1.00 84.90 C +ATOM 119 OE1 GLN A 17 -0.832 -6.269 -5.221 1.00 78.76 O +ATOM 120 NE2 GLN A 17 -2.752 -6.710 -4.188 1.00 76.63 N +ATOM 121 N LYS A 18 1.971 -5.033 -0.227 1.00 97.88 N +ATOM 122 CA LYS A 18 3.277 -5.385 0.309 1.00 98.09 C +ATOM 123 C LYS A 18 4.002 -6.236 -0.726 1.00 98.27 C +ATOM 124 O LYS A 18 3.393 -7.075 -1.385 1.00 98.17 O +ATOM 125 CB LYS A 18 3.105 -6.153 1.621 1.00 97.26 C +ATOM 126 CG LYS A 18 4.424 -6.495 2.309 1.00 94.53 C +ATOM 127 CD LYS A 18 4.185 -7.171 3.636 1.00 91.79 C +ATOM 128 CE LYS A 18 5.480 -7.500 4.341 1.00 87.43 C +ATOM 129 NZ LYS A 18 5.252 -8.148 5.652 1.00 83.31 N +ATOM 130 N GLY A 19 5.295 -6.024 -0.867 1.00 98.06 N +ATOM 131 CA GLY A 19 6.077 -6.779 -1.836 1.00 97.92 C +ATOM 132 C GLY A 19 6.168 -8.250 -1.470 1.00 98.20 C +ATOM 133 O GLY A 19 5.904 -8.626 -0.327 1.00 98.30 O +ATOM 134 N PRO A 20 6.561 -9.102 -2.435 1.00 98.23 N +ATOM 135 CA PRO A 20 6.677 -10.535 -2.176 1.00 98.25 C +ATOM 136 C PRO A 20 7.870 -10.820 -1.269 1.00 98.42 C +ATOM 137 O PRO A 20 8.776 -10.001 -1.150 1.00 98.34 O +ATOM 138 CB PRO A 20 6.863 -11.136 -3.566 1.00 97.52 C +ATOM 139 CG PRO A 20 7.546 -10.052 -4.327 1.00 95.99 C +ATOM 140 CD PRO A 20 6.882 -8.788 -3.824 1.00 97.54 C +HETATM 141 N HYP A 21 7.897 -11.991 -0.642 1.00 98.16 N +HETATM 142 CA HYP A 21 8.983 -12.421 0.147 1.00 97.66 C +HETATM 143 C HYP A 21 10.297 -12.457 -0.656 1.00 98.15 C +HETATM 144 O HYP A 21 10.273 -12.775 -1.869 1.00 96.92 O +HETATM 145 CB HYP A 21 8.585 -13.814 0.616 1.00 97.17 C +HETATM 146 CG HYP A 21 7.065 -13.809 0.575 1.00 97.07 C +HETATM 147 CD HYP A 21 6.769 -12.934 -0.596 1.00 97.79 C +HETATM 148 OD1 HYP A 21 6.511 -13.239 1.748 1.00 95.49 O +ATOM 149 N GLY A 22 11.374 -12.145 -0.024 1.00 98.33 N +ATOM 150 CA GLY A 22 12.654 -12.176 -0.679 1.00 98.18 C +ATOM 151 C GLY A 22 13.067 -13.606 -0.971 1.00 98.30 C +ATOM 152 O GLY A 22 12.427 -14.558 -0.512 1.00 98.34 O +ATOM 153 N PRO A 23 14.158 -13.788 -1.736 1.00 98.20 N +ATOM 154 CA PRO A 23 14.622 -15.128 -2.077 1.00 98.18 C +ATOM 155 C PRO A 23 15.164 -15.848 -0.847 1.00 98.33 C +ATOM 156 O PRO A 23 15.565 -15.219 0.125 1.00 98.03 O +ATOM 157 CB PRO A 23 15.707 -14.870 -3.115 1.00 97.26 C +ATOM 158 CG PRO A 23 16.226 -13.524 -2.748 1.00 95.47 C +ATOM 159 CD PRO A 23 15.002 -12.753 -2.324 1.00 97.54 C +HETATM 160 N HYP A 24 15.206 -17.164 -0.900 1.00 97.87 N +HETATM 161 CA HYP A 24 15.780 -17.948 0.145 1.00 97.65 C +HETATM 162 C HYP A 24 17.242 -17.591 0.420 1.00 97.78 C +HETATM 163 O HYP A 24 17.980 -17.245 -0.519 1.00 96.63 O +HETATM 164 CB HYP A 24 15.623 -19.388 -0.357 1.00 96.74 C +HETATM 165 CG HYP A 24 14.468 -19.359 -1.330 1.00 96.28 C +HETATM 166 CD HYP A 24 14.593 -17.990 -1.960 1.00 97.12 C +HETATM 167 OD1 HYP A 24 13.218 -19.457 -0.692 1.00 94.82 O +ATOM 168 N GLY A 25 17.644 -17.712 1.656 1.00 98.03 N +ATOM 169 CA GLY A 25 19.000 -17.418 2.017 1.00 97.95 C +ATOM 170 C GLY A 25 19.947 -18.455 1.439 1.00 98.01 C +ATOM 171 O GLY A 25 19.513 -19.473 0.895 1.00 98.07 O +ATOM 172 N PRO A 26 21.264 -18.227 1.567 1.00 97.80 N +ATOM 173 CA PRO A 26 22.246 -19.159 1.030 1.00 97.65 C +ATOM 174 C PRO A 26 22.244 -20.467 1.819 1.00 97.90 C +ATOM 175 O PRO A 26 21.805 -20.510 2.966 1.00 97.59 O +ATOM 176 CB PRO A 26 23.565 -18.409 1.170 1.00 96.53 C +ATOM 177 CG PRO A 26 23.324 -17.513 2.339 1.00 94.48 C +ATOM 178 CD PRO A 26 21.888 -17.070 2.184 1.00 96.96 C +HETATM 179 N HYP A 27 22.769 -21.515 1.215 1.00 96.89 N +HETATM 180 CA HYP A 27 22.859 -22.806 1.876 1.00 96.57 C +HETATM 181 C HYP A 27 23.720 -22.722 3.131 1.00 97.06 C +HETATM 182 O HYP A 27 24.688 -21.942 3.198 1.00 96.27 O +HETATM 183 CB HYP A 27 23.575 -23.669 0.819 1.00 95.25 C +HETATM 184 CG HYP A 27 23.267 -23.040 -0.518 1.00 94.34 C +HETATM 185 CD HYP A 27 23.210 -21.556 -0.189 1.00 95.33 C +HETATM 186 OD1 HYP A 27 22.020 -23.447 -1.020 1.00 92.07 O +ATOM 187 N GLY A 28 23.377 -23.551 4.129 1.00 97.03 N +ATOM 188 CA GLY A 28 24.144 -23.604 5.342 1.00 96.67 C +ATOM 189 C GLY A 28 25.504 -24.238 5.087 1.00 97.01 C +ATOM 190 O GLY A 28 25.761 -24.746 3.990 1.00 97.15 O +ATOM 191 N PRO A 29 26.374 -24.255 6.094 1.00 97.32 N +ATOM 192 CA PRO A 29 27.701 -24.845 5.928 1.00 97.19 C +ATOM 193 C PRO A 29 27.600 -26.349 5.698 1.00 97.31 C +ATOM 194 O PRO A 29 26.628 -26.982 6.104 1.00 96.48 O +ATOM 195 CB PRO A 29 28.413 -24.502 7.233 1.00 95.73 C +ATOM 196 CG PRO A 29 27.296 -24.368 8.207 1.00 93.75 C +ATOM 197 CD PRO A 29 26.186 -23.721 7.426 1.00 96.37 C +HETATM 198 N HYP A 30 28.634 -26.890 5.099 1.00 93.99 N +HETATM 199 CA HYP A 30 28.675 -28.319 4.783 1.00 94.56 C +HETATM 200 C HYP A 30 28.640 -29.174 5.999 1.00 91.66 C +HETATM 201 O HYP A 30 29.182 -28.857 7.043 1.00 92.35 O +HETATM 202 CB HYP A 30 30.043 -28.419 3.974 1.00 89.11 C +HETATM 203 CG HYP A 30 30.314 -27.053 3.418 1.00 87.89 C +HETATM 204 CD HYP A 30 29.718 -26.098 4.479 1.00 91.97 C +HETATM 205 OD1 HYP A 30 29.656 -26.848 2.207 1.00 87.33 O +ATOM 206 N GLY A 31 27.854 -30.341 5.891 1.00 94.44 N +ATOM 207 CA GLY A 31 27.678 -31.290 6.956 1.00 91.77 C +ATOM 208 C GLY A 31 28.606 -32.489 6.759 1.00 87.96 C +ATOM 209 O GLY A 31 28.376 -33.278 5.848 1.00 83.49 O +ATOM 210 OXT GLY A 31 29.581 -32.646 7.504 1.00 87.68 O +TER 211 GLY A 31 +END diff --git a/protein_pdb_465.txt b/protein_pdb_465.txt new file mode 100644 index 0000000000000000000000000000000000000000..618de8482c0ca38283ee88ae7a2484419ca05478 --- /dev/null +++ b/protein_pdb_465.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 10.539 -11.172 3.549 1.00 88.24 N +ATOM 2 CA GLY A 1 10.756 -10.388 2.365 1.00 88.91 C +ATOM 3 C GLY A 1 10.279 -8.961 2.515 1.00 89.50 C +ATOM 4 O GLY A 1 9.668 -8.604 3.518 1.00 87.46 O +ATOM 5 N PRO A 2 10.488 -8.125 1.495 1.00 88.24 N +ATOM 6 CA PRO A 2 10.093 -6.738 1.552 1.00 88.65 C +ATOM 7 C PRO A 2 8.603 -6.557 1.310 1.00 88.33 C +ATOM 8 O PRO A 2 7.918 -7.467 0.861 1.00 85.90 O +ATOM 9 CB PRO A 2 10.913 -6.105 0.427 1.00 85.04 C +ATOM 10 CG PRO A 2 11.061 -7.213 -0.557 1.00 81.15 C +ATOM 11 CD PRO A 2 11.210 -8.457 0.273 1.00 83.21 C +HETATM 12 N HYP A 3 8.133 -5.379 1.625 1.00 88.15 N +HETATM 13 CA HYP A 3 6.725 -5.043 1.351 1.00 87.08 C +HETATM 14 C HYP A 3 6.409 -5.130 -0.133 1.00 87.58 C +HETATM 15 O HYP A 3 7.309 -4.929 -0.966 1.00 91.52 O +HETATM 16 CB HYP A 3 6.651 -3.555 1.811 1.00 87.61 C +HETATM 17 CG HYP A 3 7.732 -3.420 2.868 1.00 86.01 C +HETATM 18 CD HYP A 3 8.868 -4.339 2.286 1.00 88.53 C +HETATM 19 OD1 HYP A 3 7.265 -3.967 4.061 1.00 86.06 O +ATOM 20 N GLY A 4 5.193 -5.497 -0.428 1.00 90.41 N +ATOM 21 CA GLY A 4 4.765 -5.569 -1.800 1.00 89.27 C +ATOM 22 C GLY A 4 4.662 -4.178 -2.412 1.00 90.00 C +ATOM 23 O GLY A 4 4.769 -3.167 -1.722 1.00 90.27 O +ATOM 24 N PRO A 5 4.453 -4.121 -3.720 1.00 89.64 N +ATOM 25 CA PRO A 5 4.342 -2.837 -4.395 1.00 89.49 C +ATOM 26 C PRO A 5 3.043 -2.129 -4.055 1.00 89.10 C +ATOM 27 O PRO A 5 2.085 -2.745 -3.607 1.00 87.66 O +ATOM 28 CB PRO A 5 4.402 -3.212 -5.874 1.00 87.46 C +ATOM 29 CG PRO A 5 3.821 -4.588 -5.903 1.00 85.47 C +ATOM 30 CD PRO A 5 4.289 -5.244 -4.639 1.00 87.95 C +HETATM 31 N HYP A 6 3.053 -0.802 -4.266 1.00 91.56 N +HETATM 32 CA HYP A 6 1.821 -0.060 -4.092 1.00 92.85 C +HETATM 33 C HYP A 6 0.742 -0.533 -5.039 1.00 92.95 C +HETATM 34 O HYP A 6 1.045 -1.013 -6.148 1.00 90.73 O +HETATM 35 CB HYP A 6 2.270 1.394 -4.475 1.00 88.30 C +HETATM 36 CG HYP A 6 3.762 1.416 -4.168 1.00 87.38 C +HETATM 37 CD HYP A 6 4.201 0.015 -4.592 1.00 89.55 C +HETATM 38 OD1 HYP A 6 3.949 1.566 -2.781 1.00 88.18 O +ATOM 39 N GLY A 7 -0.482 -0.467 -4.593 1.00 91.83 N +ATOM 40 CA GLY A 7 -1.596 -0.848 -5.417 1.00 90.35 C +ATOM 41 C GLY A 7 -1.763 0.115 -6.578 1.00 90.54 C +ATOM 42 O GLY A 7 -1.130 1.160 -6.640 1.00 90.15 O +ATOM 43 N PRO A 8 -2.635 -0.242 -7.506 1.00 89.90 N +ATOM 44 CA PRO A 8 -2.864 0.622 -8.653 1.00 88.85 C +ATOM 45 C PRO A 8 -3.633 1.873 -8.266 1.00 88.82 C +ATOM 46 O PRO A 8 -4.292 1.927 -7.233 1.00 87.14 O +ATOM 47 CB PRO A 8 -3.669 -0.256 -9.606 1.00 86.33 C +ATOM 48 CG PRO A 8 -4.380 -1.191 -8.703 1.00 85.40 C +ATOM 49 CD PRO A 8 -3.435 -1.453 -7.557 1.00 86.45 C +HETATM 50 N HYP A 9 -3.537 2.910 -9.133 1.00 89.69 N +HETATM 51 CA HYP A 9 -4.285 4.103 -8.906 1.00 86.55 C +HETATM 52 C HYP A 9 -5.765 3.861 -8.991 1.00 89.68 C +HETATM 53 O HYP A 9 -6.228 2.990 -9.736 1.00 87.67 O +HETATM 54 CB HYP A 9 -3.867 5.002 -10.126 1.00 83.08 C +HETATM 55 CG HYP A 9 -2.551 4.475 -10.549 1.00 84.34 C +HETATM 56 CD HYP A 9 -2.613 3.005 -10.294 1.00 87.23 C +HETATM 57 OD1 HYP A 9 -1.552 5.029 -9.712 1.00 82.52 O +ATOM 58 N GLY A 10 -6.572 4.541 -8.223 1.00 90.00 N +ATOM 59 CA GLY A 10 -8.006 4.498 -8.356 1.00 87.19 C +ATOM 60 C GLY A 10 -8.432 5.276 -9.588 1.00 86.74 C +ATOM 61 O GLY A 10 -7.602 5.724 -10.378 1.00 84.65 O +ATOM 62 N PHE A 11 -9.746 5.448 -9.749 1.00 88.37 N +ATOM 63 CA PHE A 11 -10.218 6.191 -10.915 1.00 90.12 C +ATOM 64 C PHE A 11 -9.602 7.581 -10.983 1.00 90.68 C +ATOM 65 O PHE A 11 -9.295 8.072 -12.069 1.00 89.62 O +ATOM 66 CB PHE A 11 -11.744 6.278 -10.890 1.00 88.69 C +ATOM 67 CG PHE A 11 -12.408 4.947 -11.105 1.00 85.20 C +ATOM 68 CD1 PHE A 11 -12.207 4.251 -12.280 1.00 82.21 C +ATOM 69 CD2 PHE A 11 -13.208 4.389 -10.124 1.00 82.38 C +ATOM 70 CE1 PHE A 11 -12.803 3.019 -12.478 1.00 80.70 C +ATOM 71 CE2 PHE A 11 -13.808 3.153 -10.318 1.00 81.81 C +ATOM 72 CZ PHE A 11 -13.607 2.472 -11.498 1.00 81.32 C +ATOM 73 N CYS A 12 -9.400 8.213 -9.847 1.00 87.52 N +ATOM 74 CA CYS A 12 -8.633 9.450 -9.769 1.00 90.03 C +ATOM 75 C CYS A 12 -7.966 9.532 -8.406 1.00 90.52 C +ATOM 76 O CYS A 12 -7.661 10.613 -7.913 1.00 86.52 O +ATOM 77 CB CYS A 12 -9.487 10.695 -10.069 1.00 86.38 C +ATOM 78 SG CYS A 12 -11.163 10.630 -9.460 1.00 80.98 S +ATOM 79 N GLY A 13 -7.723 8.394 -7.801 1.00 92.07 N +ATOM 80 CA GLY A 13 -7.150 8.328 -6.480 1.00 91.41 C +ATOM 81 C GLY A 13 -5.702 7.884 -6.496 1.00 92.13 C +ATOM 82 O GLY A 13 -5.173 7.490 -7.533 1.00 92.24 O +ATOM 83 N PRO A 14 -5.058 7.957 -5.351 1.00 92.30 N +ATOM 84 CA PRO A 14 -3.660 7.577 -5.244 1.00 91.86 C +ATOM 85 C PRO A 14 -3.477 6.071 -5.316 1.00 92.01 C +ATOM 86 O PRO A 14 -4.428 5.310 -5.223 1.00 90.50 O +ATOM 87 CB PRO A 14 -3.254 8.119 -3.873 1.00 90.14 C +ATOM 88 CG PRO A 14 -4.512 8.026 -3.083 1.00 88.72 C +ATOM 89 CD PRO A 14 -5.613 8.374 -4.060 1.00 89.57 C +HETATM 90 N HYP A 15 -2.233 5.704 -5.477 1.00 91.97 N +HETATM 91 CA HYP A 15 -1.910 4.285 -5.414 1.00 92.47 C +HETATM 92 C HYP A 15 -2.291 3.697 -4.090 1.00 92.68 C +HETATM 93 O HYP A 15 -2.318 4.412 -3.061 1.00 92.09 O +HETATM 94 CB HYP A 15 -0.360 4.328 -5.585 1.00 89.06 C +HETATM 95 CG HYP A 15 -0.093 5.590 -6.370 1.00 88.46 C +HETATM 96 CD HYP A 15 -1.099 6.558 -5.812 1.00 90.71 C +HETATM 97 OD1 HYP A 15 -0.327 5.366 -7.733 1.00 88.56 O +ATOM 98 N GLY A 16 -2.609 2.442 -4.095 1.00 93.74 N +ATOM 99 CA GLY A 16 -2.902 1.760 -2.869 1.00 93.07 C +ATOM 100 C GLY A 16 -1.656 1.620 -2.014 1.00 93.21 C +ATOM 101 O GLY A 16 -0.545 1.922 -2.456 1.00 92.75 O +ATOM 102 N PRO A 17 -1.840 1.157 -0.785 1.00 91.03 N +ATOM 103 CA PRO A 17 -0.700 0.987 0.104 1.00 90.25 C +ATOM 104 C PRO A 17 0.171 -0.178 -0.329 1.00 90.92 C +ATOM 105 O PRO A 17 -0.258 -1.044 -1.082 1.00 89.32 O +ATOM 106 CB PRO A 17 -1.355 0.732 1.462 1.00 88.31 C +ATOM 107 CG PRO A 17 -2.650 0.099 1.112 1.00 86.98 C +ATOM 108 CD PRO A 17 -3.098 0.775 -0.154 1.00 88.26 C +HETATM 109 N HYP A 18 1.408 -0.167 0.164 1.00 88.37 N +HETATM 110 CA HYP A 18 2.269 -1.291 -0.080 1.00 89.55 C +HETATM 111 C HYP A 18 1.691 -2.577 0.454 1.00 89.46 C +HETATM 112 O HYP A 18 0.943 -2.569 1.445 1.00 88.19 O +HETATM 113 CB HYP A 18 3.539 -0.894 0.742 1.00 86.45 C +HETATM 114 CG HYP A 18 3.512 0.625 0.788 1.00 85.48 C +HETATM 115 CD HYP A 18 2.024 0.931 0.913 1.00 89.55 C +HETATM 116 OD1 HYP A 18 3.995 1.140 -0.450 1.00 85.63 O +ATOM 117 N GLY A 19 1.986 -3.648 -0.198 1.00 88.23 N +ATOM 118 CA GLY A 19 1.562 -4.938 0.268 1.00 87.18 C +ATOM 119 C GLY A 19 2.289 -5.307 1.546 1.00 87.00 C +ATOM 120 O GLY A 19 3.222 -4.633 1.973 1.00 87.68 O +ATOM 121 N PRO A 20 1.849 -6.398 2.172 1.00 87.03 N +ATOM 122 CA PRO A 20 2.487 -6.830 3.402 1.00 86.36 C +ATOM 123 C PRO A 20 3.878 -7.382 3.145 1.00 86.31 C +ATOM 124 O PRO A 20 4.218 -7.736 2.016 1.00 85.68 O +ATOM 125 CB PRO A 20 1.545 -7.909 3.921 1.00 83.42 C +ATOM 126 CG PRO A 20 0.904 -8.442 2.685 1.00 80.57 C +ATOM 127 CD PRO A 20 0.762 -7.260 1.764 1.00 82.85 C +HETATM 128 N HYP A 21 4.679 -7.429 4.209 1.00 88.75 N +HETATM 129 CA HYP A 21 5.980 -8.037 4.087 1.00 87.96 C +HETATM 130 C HYP A 21 5.918 -9.483 3.631 1.00 88.27 C +HETATM 131 O HYP A 21 4.967 -10.186 3.965 1.00 90.86 O +HETATM 132 CB HYP A 21 6.555 -7.950 5.514 1.00 85.73 C +HETATM 133 CG HYP A 21 5.837 -6.781 6.151 1.00 82.19 C +HETATM 134 CD HYP A 21 4.443 -6.859 5.550 1.00 89.15 C +HETATM 135 OD1 HYP A 21 6.441 -5.560 5.694 1.00 81.90 O +ATOM 136 N GLY A 22 6.834 -9.864 2.793 1.00 87.00 N +ATOM 137 CA GLY A 22 6.904 -11.228 2.361 1.00 83.99 C +ATOM 138 C GLY A 22 7.375 -12.123 3.502 1.00 83.62 C +ATOM 139 O GLY A 22 7.723 -11.639 4.577 1.00 83.06 O +ATOM 140 N PRO A 23 7.403 -13.432 3.286 1.00 90.71 N +ATOM 141 CA PRO A 23 7.882 -14.343 4.311 1.00 89.99 C +ATOM 142 C PRO A 23 9.331 -14.041 4.639 1.00 88.82 C +ATOM 143 O PRO A 23 10.147 -13.886 3.736 1.00 85.05 O +ATOM 144 CB PRO A 23 7.746 -15.719 3.674 1.00 86.18 C +ATOM 145 CG PRO A 23 6.781 -15.520 2.563 1.00 83.70 C +ATOM 146 CD PRO A 23 6.995 -14.125 2.085 1.00 87.03 C +HETATM 147 N HYP A 24 9.687 -13.913 5.824 1.00 91.86 N +HETATM 148 CA HYP A 24 11.062 -13.403 6.147 1.00 87.13 C +HETATM 149 C HYP A 24 11.516 -12.300 5.322 1.00 90.09 C +HETATM 150 O HYP A 24 11.871 -11.110 5.729 1.00 90.50 O +HETATM 151 CB HYP A 24 11.203 -13.544 7.534 1.00 87.24 C +HETATM 152 CG HYP A 24 10.321 -14.766 7.850 1.00 86.55 C +HETATM 153 CD HYP A 24 9.158 -14.661 6.860 1.00 90.18 C +HETATM 154 OD1 HYP A 24 9.871 -14.763 9.166 1.00 87.53 O +HETATM 155 OXT HYP A 24 12.078 -12.593 4.209 1.00 86.41 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_466.txt b/protein_pdb_466.txt new file mode 100644 index 0000000000000000000000000000000000000000..912af6618d8ba2286f6ac860985900961fceb8c1 --- /dev/null +++ b/protein_pdb_466.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 -2.006 -15.566 -4.133 1.00 92.80 N +ATOM 2 CA GLY A 1 -2.086 -14.477 -5.051 1.00 93.42 C +ATOM 3 C GLY A 1 -0.865 -13.573 -5.046 1.00 94.34 C +ATOM 4 O GLY A 1 -0.000 -13.698 -4.182 1.00 93.28 O +ATOM 5 N PRO A 2 -0.815 -12.706 -5.958 1.00 92.02 N +ATOM 6 CA PRO A 2 0.307 -11.792 -6.073 1.00 92.38 C +ATOM 7 C PRO A 2 0.225 -10.646 -5.075 1.00 92.30 C +ATOM 8 O PRO A 2 -0.802 -10.434 -4.440 1.00 89.98 O +ATOM 9 CB PRO A 2 0.181 -11.279 -7.507 1.00 90.36 C +ATOM 10 CG PRO A 2 -1.288 -11.306 -7.752 1.00 87.93 C +ATOM 11 CD PRO A 2 -1.804 -12.511 -7.020 1.00 90.15 C +HETATM 12 N HYP A 3 1.345 -9.918 -4.967 1.00 92.27 N +HETATM 13 CA HYP A 3 1.345 -8.752 -4.097 1.00 92.46 C +HETATM 14 C HYP A 3 0.331 -7.718 -4.543 1.00 93.78 C +HETATM 15 O HYP A 3 0.044 -7.602 -5.746 1.00 93.80 O +HETATM 16 CB HYP A 3 2.790 -8.180 -4.274 1.00 90.04 C +HETATM 17 CG HYP A 3 3.611 -9.401 -4.631 1.00 87.38 C +HETATM 18 CD HYP A 3 2.645 -10.212 -5.516 1.00 90.31 C +HETATM 19 OD1 HYP A 3 3.890 -10.116 -3.459 1.00 88.54 O +ATOM 20 N GLY A 4 -0.249 -7.063 -3.592 1.00 93.52 N +ATOM 21 CA GLY A 4 -1.196 -6.019 -3.877 1.00 93.07 C +ATOM 22 C GLY A 4 -0.524 -4.815 -4.508 1.00 93.74 C +ATOM 23 O GLY A 4 0.700 -4.722 -4.571 1.00 93.67 O +ATOM 24 N PRO A 5 -1.329 -3.879 -4.987 1.00 92.24 N +ATOM 25 CA PRO A 5 -0.787 -2.686 -5.625 1.00 92.29 C +ATOM 26 C PRO A 5 -0.139 -1.757 -4.607 1.00 92.00 C +ATOM 27 O PRO A 5 -0.401 -1.839 -3.414 1.00 90.40 O +ATOM 28 CB PRO A 5 -2.012 -2.040 -6.262 1.00 90.95 C +ATOM 29 CG PRO A 5 -3.139 -2.479 -5.392 1.00 89.32 C +ATOM 30 CD PRO A 5 -2.784 -3.870 -4.949 1.00 91.42 C +HETATM 31 N HYP A 6 0.745 -0.865 -5.118 1.00 92.58 N +HETATM 32 CA HYP A 6 1.309 0.151 -4.257 1.00 93.66 C +HETATM 33 C HYP A 6 0.251 1.017 -3.629 1.00 93.45 C +HETATM 34 O HYP A 6 -0.835 1.247 -4.216 1.00 93.45 O +HETATM 35 CB HYP A 6 2.165 0.992 -5.255 1.00 88.24 C +HETATM 36 CG HYP A 6 2.530 0.008 -6.339 1.00 87.46 C +HETATM 37 CD HYP A 6 1.263 -0.822 -6.466 1.00 91.22 C +HETATM 38 OD1 HYP A 6 3.583 -0.807 -5.890 1.00 88.27 O +ATOM 39 N GLY A 7 0.498 1.429 -2.433 1.00 93.62 N +ATOM 40 CA GLY A 7 -0.387 2.324 -1.738 1.00 93.46 C +ATOM 41 C GLY A 7 -0.463 3.672 -2.422 1.00 94.03 C +ATOM 42 O GLY A 7 0.311 3.980 -3.321 1.00 93.84 O +ATOM 43 N PRO A 8 -1.413 4.473 -2.003 1.00 91.34 N +ATOM 44 CA PRO A 8 -1.580 5.787 -2.615 1.00 91.37 C +ATOM 45 C PRO A 8 -0.454 6.734 -2.223 1.00 91.23 C +ATOM 46 O PRO A 8 0.215 6.550 -1.213 1.00 89.67 O +ATOM 47 CB PRO A 8 -2.921 6.261 -2.066 1.00 89.35 C +ATOM 48 CG PRO A 8 -3.038 5.568 -0.764 1.00 88.32 C +ATOM 49 CD PRO A 8 -2.383 4.229 -0.948 1.00 90.60 C +HETATM 50 N HYP A 9 -0.275 7.788 -3.039 1.00 90.27 N +HETATM 51 CA HYP A 9 0.715 8.772 -2.749 1.00 88.99 C +HETATM 52 C HYP A 9 0.346 9.554 -1.503 1.00 92.15 C +HETATM 53 O HYP A 9 -0.826 9.780 -1.202 1.00 91.33 O +HETATM 54 CB HYP A 9 0.612 9.762 -3.960 1.00 86.46 C +HETATM 55 CG HYP A 9 0.007 8.979 -5.041 1.00 84.88 C +HETATM 56 CD HYP A 9 -0.916 8.033 -4.355 1.00 88.81 C +HETATM 57 OD1 HYP A 9 1.027 8.234 -5.676 1.00 84.31 O +ATOM 58 N GLY A 10 1.316 9.890 -0.737 1.00 90.54 N +ATOM 59 CA GLY A 10 1.116 10.846 0.324 1.00 88.98 C +ATOM 60 C GLY A 10 0.892 12.221 -0.268 1.00 89.08 C +ATOM 61 O GLY A 10 1.011 12.430 -1.472 1.00 86.98 O +ATOM 62 N THR A 11 0.586 13.170 0.588 1.00 90.02 N +ATOM 63 CA THR A 11 0.332 14.516 0.086 1.00 91.14 C +ATOM 64 C THR A 11 1.536 15.091 -0.651 1.00 91.19 C +ATOM 65 O THR A 11 1.373 15.938 -1.532 1.00 89.41 O +ATOM 66 CB THR A 11 -0.082 15.454 1.223 1.00 89.44 C +ATOM 67 OG1 THR A 11 0.892 15.401 2.259 1.00 84.92 O +ATOM 68 CG2 THR A 11 -1.432 15.049 1.784 1.00 81.68 C +ATOM 69 N SER A 12 2.727 14.630 -0.305 1.00 91.28 N +ATOM 70 CA SER A 12 3.938 15.025 -1.014 1.00 91.62 C +ATOM 71 C SER A 12 4.936 13.875 -1.034 1.00 92.25 C +ATOM 72 O SER A 12 6.148 14.092 -1.022 1.00 87.10 O +ATOM 73 CB SER A 12 4.557 16.271 -0.367 1.00 88.24 C +ATOM 74 OG SER A 12 4.923 16.004 0.971 1.00 79.84 O +ATOM 75 N GLY A 13 4.445 12.661 -1.069 1.00 93.53 N +ATOM 76 CA GLY A 13 5.299 11.500 -0.934 1.00 92.61 C +ATOM 77 C GLY A 13 5.006 10.415 -1.941 1.00 93.55 C +ATOM 78 O GLY A 13 4.041 10.488 -2.703 1.00 93.22 O +ATOM 79 N PRO A 14 5.842 9.397 -1.956 1.00 92.82 N +ATOM 80 CA PRO A 14 5.713 8.308 -2.908 1.00 92.55 C +ATOM 81 C PRO A 14 4.583 7.363 -2.547 1.00 93.04 C +ATOM 82 O PRO A 14 4.061 7.382 -1.441 1.00 91.57 O +ATOM 83 CB PRO A 14 7.062 7.601 -2.813 1.00 91.12 C +ATOM 84 CG PRO A 14 7.465 7.802 -1.399 1.00 89.82 C +ATOM 85 CD PRO A 14 6.980 9.191 -1.043 1.00 91.06 C +HETATM 86 N HYP A 15 4.270 6.528 -3.515 1.00 92.57 N +HETATM 87 CA HYP A 15 3.311 5.482 -3.258 1.00 91.68 C +HETATM 88 C HYP A 15 3.785 4.567 -2.184 1.00 93.97 C +HETATM 89 O HYP A 15 5.015 4.386 -1.989 1.00 93.14 O +HETATM 90 CB HYP A 15 3.269 4.766 -4.624 1.00 89.84 C +HETATM 91 CG HYP A 15 3.667 5.818 -5.626 1.00 87.36 C +HETATM 92 CD HYP A 15 4.725 6.582 -4.899 1.00 91.02 C +HETATM 93 OD1 HYP A 15 2.570 6.642 -5.911 1.00 88.90 O +ATOM 94 N GLY A 16 2.880 4.016 -1.463 1.00 94.11 N +ATOM 95 CA GLY A 16 3.218 3.032 -0.474 1.00 93.96 C +ATOM 96 C GLY A 16 3.715 1.751 -1.108 1.00 94.52 C +ATOM 97 O GLY A 16 3.661 1.584 -2.328 1.00 94.35 O +ATOM 98 N PRO A 17 4.213 0.844 -0.279 1.00 91.20 N +ATOM 99 CA PRO A 17 4.714 -0.422 -0.797 1.00 90.88 C +ATOM 100 C PRO A 17 3.587 -1.318 -1.278 1.00 91.53 C +ATOM 101 O PRO A 17 2.427 -1.114 -0.929 1.00 90.32 O +ATOM 102 CB PRO A 17 5.435 -1.024 0.406 1.00 89.72 C +ATOM 103 CG PRO A 17 4.736 -0.438 1.576 1.00 87.87 C +ATOM 104 CD PRO A 17 4.334 0.941 1.175 1.00 89.19 C +HETATM 105 N HYP A 18 3.953 -2.317 -2.106 1.00 88.06 N +HETATM 106 CA HYP A 18 2.994 -3.290 -2.493 1.00 88.49 C +HETATM 107 C HYP A 18 2.396 -4.019 -1.346 1.00 91.26 C +HETATM 108 O HYP A 18 3.060 -4.224 -0.308 1.00 90.67 O +HETATM 109 CB HYP A 18 3.854 -4.280 -3.345 1.00 86.39 C +HETATM 110 CG HYP A 18 4.968 -3.423 -3.889 1.00 84.12 C +HETATM 111 CD HYP A 18 5.249 -2.491 -2.729 1.00 89.19 C +HETATM 112 OD1 HYP A 18 4.468 -2.686 -4.987 1.00 85.95 O +ATOM 113 N GLY A 19 1.146 -4.323 -1.463 1.00 89.31 N +ATOM 114 CA GLY A 19 0.472 -5.082 -0.455 1.00 89.27 C +ATOM 115 C GLY A 19 1.027 -6.485 -0.346 1.00 89.63 C +ATOM 116 O GLY A 19 1.834 -6.913 -1.173 1.00 90.52 O +ATOM 117 N PRO A 20 0.597 -7.208 0.666 1.00 84.41 N +ATOM 118 CA PRO A 20 1.071 -8.571 0.846 1.00 85.08 C +ATOM 119 C PRO A 20 0.495 -9.498 -0.209 1.00 84.63 C +ATOM 120 O PRO A 20 -0.476 -9.168 -0.881 1.00 85.17 O +ATOM 121 CB PRO A 20 0.560 -8.929 2.238 1.00 83.72 C +ATOM 122 CG PRO A 20 -0.666 -8.103 2.392 1.00 80.87 C +ATOM 123 CD PRO A 20 -0.376 -6.817 1.673 1.00 81.75 C +HETATM 124 N HYP A 21 1.147 -10.667 -0.344 1.00 88.48 N +HETATM 125 CA HYP A 21 0.604 -11.654 -1.231 1.00 87.85 C +HETATM 126 C HYP A 21 -0.819 -12.035 -0.893 1.00 88.49 C +HETATM 127 O HYP A 21 -1.160 -12.074 0.293 1.00 91.95 O +HETATM 128 CB HYP A 21 1.532 -12.849 -1.131 1.00 84.40 C +HETATM 129 CG HYP A 21 2.840 -12.264 -0.681 1.00 80.88 C +HETATM 130 CD HYP A 21 2.416 -11.129 0.239 1.00 87.62 C +HETATM 131 OD1 HYP A 21 3.508 -11.716 -1.815 1.00 82.68 O +ATOM 132 N GLY A 22 -1.627 -12.189 -1.885 1.00 88.14 N +ATOM 133 CA GLY A 22 -2.974 -12.628 -1.689 1.00 85.96 C +ATOM 134 C GLY A 22 -3.005 -14.071 -1.217 1.00 85.94 C +ATOM 135 O GLY A 22 -1.982 -14.753 -1.187 1.00 86.22 O +ATOM 136 N PRO A 23 -4.185 -14.564 -0.866 1.00 92.74 N +ATOM 137 CA PRO A 23 -4.296 -15.947 -0.434 1.00 92.96 C +ATOM 138 C PRO A 23 -4.071 -16.883 -1.611 1.00 91.94 C +ATOM 139 O PRO A 23 -4.857 -16.892 -2.553 1.00 89.01 O +ATOM 140 CB PRO A 23 -5.712 -16.035 0.124 1.00 90.68 C +ATOM 141 CG PRO A 23 -6.446 -14.935 -0.533 1.00 87.77 C +ATOM 142 CD PRO A 23 -5.443 -13.858 -0.853 1.00 90.68 C +HETATM 143 N HYP A 24 -2.982 -17.468 -1.731 1.00 94.16 N +HETATM 144 CA HYP A 24 -2.347 -18.024 -2.994 1.00 91.33 C +HETATM 145 C HYP A 24 -1.989 -17.256 -4.030 1.00 93.76 C +HETATM 146 O HYP A 24 -2.502 -17.411 -5.235 1.00 93.17 O +HETATM 147 CB HYP A 24 -1.910 -19.378 -2.641 1.00 90.39 C +HETATM 148 CG HYP A 24 -2.509 -19.705 -1.258 1.00 88.30 C +HETATM 149 CD HYP A 24 -3.250 -18.445 -0.802 1.00 92.29 C +HETATM 150 OD1 HYP A 24 -1.494 -19.947 -0.304 1.00 89.16 O +HETATM 151 OXT HYP A 24 -0.658 -16.893 -4.147 1.00 88.51 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_467.txt b/protein_pdb_467.txt new file mode 100644 index 0000000000000000000000000000000000000000..f1e59e78155fe1dbd21a3a4357767916017d3ec0 --- /dev/null +++ b/protein_pdb_467.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 1.462 -15.526 -5.124 1.00 91.04 N +ATOM 2 CA GLY A 1 1.328 -14.430 -6.032 1.00 91.12 C +ATOM 3 C GLY A 1 2.268 -13.276 -5.733 1.00 92.13 C +ATOM 4 O GLY A 1 2.956 -13.279 -4.712 1.00 90.74 O +ATOM 5 N PRO A 2 2.290 -12.330 -6.586 1.00 90.81 N +ATOM 6 CA PRO A 2 3.181 -11.194 -6.444 1.00 91.36 C +ATOM 7 C PRO A 2 2.672 -10.188 -5.423 1.00 91.12 C +ATOM 8 O PRO A 2 1.532 -10.249 -4.978 1.00 89.39 O +ATOM 9 CB PRO A 2 3.183 -10.596 -7.847 1.00 89.36 C +ATOM 10 CG PRO A 2 1.818 -10.910 -8.359 1.00 86.81 C +ATOM 11 CD PRO A 2 1.480 -12.261 -7.789 1.00 88.09 C +HETATM 12 N HYP A 3 3.561 -9.262 -5.101 1.00 88.45 N +HETATM 13 CA HYP A 3 3.143 -8.196 -4.194 1.00 91.66 C +HETATM 14 C HYP A 3 2.004 -7.409 -4.738 1.00 91.19 C +HETATM 15 O HYP A 3 1.885 -7.247 -5.970 1.00 92.67 O +HETATM 16 CB HYP A 3 4.437 -7.359 -4.049 1.00 87.95 C +HETATM 17 CG HYP A 3 5.546 -8.365 -4.318 1.00 82.39 C +HETATM 18 CD HYP A 3 4.945 -9.233 -5.412 1.00 86.95 C +HETATM 19 OD1 HYP A 3 5.769 -9.117 -3.168 1.00 87.77 O +ATOM 20 N GLY A 4 1.152 -6.956 -3.894 1.00 91.72 N +ATOM 21 CA GLY A 4 0.058 -6.110 -4.289 1.00 91.59 C +ATOM 22 C GLY A 4 0.545 -4.752 -4.741 1.00 92.51 C +ATOM 23 O GLY A 4 1.722 -4.403 -4.583 1.00 92.59 O +ATOM 24 N PRO A 5 -0.349 -3.970 -5.304 1.00 91.00 N +ATOM 25 CA PRO A 5 0.024 -2.645 -5.785 1.00 91.09 C +ATOM 26 C PRO A 5 0.297 -1.689 -4.634 1.00 91.40 C +ATOM 27 O PRO A 5 -0.123 -1.912 -3.507 1.00 90.10 O +ATOM 28 CB PRO A 5 -1.198 -2.213 -6.591 1.00 89.22 C +ATOM 29 CG PRO A 5 -2.324 -2.936 -5.952 1.00 86.71 C +ATOM 30 CD PRO A 5 -1.770 -4.254 -5.515 1.00 88.95 C +HETATM 31 N HYP A 6 1.049 -0.593 -4.958 1.00 91.95 N +HETATM 32 CA HYP A 6 1.237 0.441 -3.981 1.00 94.88 C +HETATM 33 C HYP A 6 -0.057 0.991 -3.460 1.00 92.68 C +HETATM 34 O HYP A 6 -1.066 1.031 -4.209 1.00 94.36 O +HETATM 35 CB HYP A 6 2.008 1.502 -4.789 1.00 91.15 C +HETATM 36 CG HYP A 6 2.723 0.720 -5.830 1.00 89.70 C +HETATM 37 CD HYP A 6 1.732 -0.348 -6.176 1.00 91.01 C +HETATM 38 OD1 HYP A 6 3.867 0.142 -5.260 1.00 90.37 O +ATOM 39 N GLY A 7 -0.073 1.323 -2.220 1.00 94.24 N +ATOM 40 CA GLY A 7 -1.224 1.953 -1.635 1.00 94.17 C +ATOM 41 C GLY A 7 -1.508 3.293 -2.282 1.00 94.71 C +ATOM 42 O GLY A 7 -0.691 3.836 -3.018 1.00 94.38 O +ATOM 43 N PRO A 8 -2.672 3.814 -2.020 1.00 93.71 N +ATOM 44 CA PRO A 8 -3.045 5.081 -2.618 1.00 93.59 C +ATOM 45 C PRO A 8 -2.253 6.235 -2.023 1.00 93.01 C +ATOM 46 O PRO A 8 -1.764 6.166 -0.902 1.00 90.89 O +ATOM 47 CB PRO A 8 -4.532 5.211 -2.292 1.00 91.87 C +ATOM 48 CG PRO A 8 -4.697 4.415 -1.050 1.00 90.72 C +ATOM 49 CD PRO A 8 -3.718 3.280 -1.153 1.00 92.96 C +HETATM 50 N HYP A 9 -2.136 7.313 -2.806 1.00 92.58 N +HETATM 51 CA HYP A 9 -1.503 8.477 -2.312 1.00 92.07 C +HETATM 52 C HYP A 9 -2.274 9.031 -1.159 1.00 92.79 C +HETATM 53 O HYP A 9 -3.491 8.912 -1.068 1.00 91.90 O +HETATM 54 CB HYP A 9 -1.639 9.486 -3.462 1.00 88.58 C +HETATM 55 CG HYP A 9 -1.802 8.667 -4.652 1.00 89.43 C +HETATM 56 CD HYP A 9 -2.553 7.492 -4.183 1.00 91.82 C +HETATM 57 OD1 HYP A 9 -0.517 8.240 -5.079 1.00 89.49 O +ATOM 58 N GLY A 10 -1.607 9.589 -0.240 1.00 91.42 N +ATOM 59 CA GLY A 10 -2.246 10.354 0.799 1.00 89.36 C +ATOM 60 C GLY A 10 -2.696 11.690 0.249 1.00 90.10 C +ATOM 61 O GLY A 10 -2.838 11.885 -0.960 1.00 88.78 O +ATOM 62 N ASN A 11 -2.915 12.601 1.134 1.00 89.03 N +ATOM 63 CA ASN A 11 -3.349 13.936 0.756 1.00 91.93 C +ATOM 64 C ASN A 11 -2.158 14.707 0.169 1.00 92.67 C +ATOM 65 O ASN A 11 -1.601 15.608 0.805 1.00 90.65 O +ATOM 66 CB ASN A 11 -3.926 14.631 1.989 1.00 89.34 C +ATOM 67 CG ASN A 11 -4.769 15.829 1.647 1.00 83.55 C +ATOM 68 OD1 ASN A 11 -5.217 15.983 0.517 1.00 80.49 O +ATOM 69 ND2 ASN A 11 -5.004 16.687 2.626 1.00 77.13 N +ATOM 70 N GLY A 12 -1.739 14.289 -1.021 1.00 90.85 N +ATOM 71 CA GLY A 12 -0.502 14.756 -1.621 1.00 91.72 C +ATOM 72 C GLY A 12 0.706 13.935 -1.252 1.00 93.39 C +ATOM 73 O GLY A 12 1.809 14.213 -1.733 1.00 89.77 O +ATOM 74 N GLY A 13 0.518 12.934 -0.422 1.00 93.04 N +ATOM 75 CA GLY A 13 1.605 12.094 0.024 1.00 91.93 C +ATOM 76 C GLY A 13 1.945 10.996 -0.956 1.00 92.86 C +ATOM 77 O GLY A 13 1.287 10.829 -1.987 1.00 92.36 O +ATOM 78 N PRO A 14 2.979 10.242 -0.656 1.00 92.73 N +ATOM 79 CA PRO A 14 3.432 9.188 -1.548 1.00 92.27 C +ATOM 80 C PRO A 14 2.515 7.977 -1.507 1.00 92.50 C +ATOM 81 O PRO A 14 1.736 7.790 -0.581 1.00 91.45 O +ATOM 82 CB PRO A 14 4.817 8.833 -1.003 1.00 90.88 C +ATOM 83 CG PRO A 14 4.705 9.121 0.457 1.00 89.61 C +ATOM 84 CD PRO A 14 3.802 10.324 0.557 1.00 90.37 C +HETATM 85 N HYP A 15 2.643 7.185 -2.535 1.00 92.19 N +HETATM 86 CA HYP A 15 1.983 5.898 -2.532 1.00 92.95 C +HETATM 87 C HYP A 15 2.386 5.052 -1.395 1.00 92.19 C +HETATM 88 O HYP A 15 3.542 5.127 -0.924 1.00 93.41 O +HETATM 89 CB HYP A 15 2.435 5.306 -3.891 1.00 88.49 C +HETATM 90 CG HYP A 15 2.741 6.522 -4.738 1.00 84.17 C +HETATM 91 CD HYP A 15 3.344 7.469 -3.769 1.00 90.20 C +HETATM 92 OD1 HYP A 15 1.546 7.038 -5.266 1.00 89.28 O +ATOM 93 N GLY A 16 1.514 4.252 -0.921 1.00 93.73 N +ATOM 94 CA GLY A 16 1.845 3.283 0.091 1.00 93.48 C +ATOM 95 C GLY A 16 2.736 2.196 -0.468 1.00 94.40 C +ATOM 96 O GLY A 16 2.977 2.115 -1.670 1.00 94.29 O +ATOM 97 N PRO A 17 3.228 1.349 0.417 1.00 92.24 N +ATOM 98 CA PRO A 17 4.091 0.263 -0.020 1.00 92.07 C +ATOM 99 C PRO A 17 3.306 -0.810 -0.760 1.00 92.92 C +ATOM 100 O PRO A 17 2.081 -0.878 -0.666 1.00 91.31 O +ATOM 101 CB PRO A 17 4.671 -0.266 1.293 1.00 89.72 C +ATOM 102 CG PRO A 17 3.641 0.062 2.306 1.00 87.65 C +ATOM 103 CD PRO A 17 3.015 1.348 1.870 1.00 90.01 C +HETATM 104 N HYP A 18 4.043 -1.648 -1.533 1.00 90.25 N +HETATM 105 CA HYP A 18 3.421 -2.770 -2.129 1.00 93.49 C +HETATM 106 C HYP A 18 2.744 -3.644 -1.140 1.00 91.68 C +HETATM 107 O HYP A 18 3.192 -3.772 0.012 1.00 93.91 O +HETATM 108 CB HYP A 18 4.603 -3.480 -2.805 1.00 90.62 C +HETATM 109 CG HYP A 18 5.575 -2.404 -3.077 1.00 88.52 C +HETATM 110 CD HYP A 18 5.425 -1.506 -1.877 1.00 91.04 C +HETATM 111 OD1 HYP A 18 5.207 -1.714 -4.244 1.00 90.50 O +ATOM 112 N GLY A 19 1.645 -4.216 -1.547 1.00 92.12 N +ATOM 113 CA GLY A 19 0.958 -5.169 -0.725 1.00 91.65 C +ATOM 114 C GLY A 19 1.787 -6.416 -0.510 1.00 92.12 C +ATOM 115 O GLY A 19 2.834 -6.603 -1.131 1.00 92.37 O +ATOM 116 N PRO A 20 1.322 -7.271 0.367 1.00 90.62 N +ATOM 117 CA PRO A 20 2.044 -8.502 0.637 1.00 90.46 C +ATOM 118 C PRO A 20 1.958 -9.466 -0.540 1.00 89.91 C +ATOM 119 O PRO A 20 1.105 -9.319 -1.410 1.00 89.30 O +ATOM 120 CB PRO A 20 1.328 -9.061 1.866 1.00 88.62 C +ATOM 121 CG PRO A 20 -0.056 -8.530 1.740 1.00 86.51 C +ATOM 122 CD PRO A 20 0.081 -7.171 1.121 1.00 88.87 C +HETATM 123 N HYP A 21 2.874 -10.434 -0.542 1.00 92.05 N +HETATM 124 CA HYP A 21 2.788 -11.458 -1.542 1.00 92.96 C +HETATM 125 C HYP A 21 1.458 -12.151 -1.543 1.00 91.79 C +HETATM 126 O HYP A 21 0.891 -12.357 -0.483 1.00 93.09 O +HETATM 127 CB HYP A 21 3.918 -12.414 -1.179 1.00 88.40 C +HETATM 128 CG HYP A 21 4.904 -11.548 -0.460 1.00 85.81 C +HETATM 129 CD HYP A 21 4.034 -10.606 0.297 1.00 90.76 C +HETATM 130 OD1 HYP A 21 5.671 -10.815 -1.408 1.00 88.20 O +ATOM 131 N GLY A 22 0.944 -12.377 -2.709 1.00 91.82 N +ATOM 132 CA GLY A 22 -0.296 -13.083 -2.851 1.00 89.99 C +ATOM 133 C GLY A 22 -0.160 -14.517 -2.372 1.00 90.02 C +ATOM 134 O GLY A 22 0.947 -14.999 -2.123 1.00 89.07 O +ATOM 135 N PRO A 23 -1.274 -15.224 -2.264 1.00 92.80 N +ATOM 136 CA PRO A 23 -1.226 -16.616 -1.848 1.00 92.86 C +ATOM 137 C PRO A 23 -0.688 -17.472 -2.987 1.00 91.94 C +ATOM 138 O PRO A 23 -1.399 -17.726 -3.957 1.00 89.04 O +ATOM 139 CB PRO A 23 -2.679 -16.927 -1.506 1.00 90.36 C +ATOM 140 CG PRO A 23 -3.466 -15.972 -2.317 1.00 87.28 C +ATOM 141 CD PRO A 23 -2.618 -14.735 -2.488 1.00 89.99 C +HETATM 142 N HYP A 24 0.514 -17.743 -3.018 1.00 93.28 N +HETATM 143 CA HYP A 24 1.339 -18.093 -4.170 1.00 90.93 C +HETATM 144 C HYP A 24 1.441 -17.167 -5.225 1.00 92.35 C +HETATM 145 O HYP A 24 0.672 -17.392 -6.239 1.00 89.46 O +HETATM 146 CB HYP A 24 2.382 -18.989 -3.678 1.00 87.15 C +HETATM 147 CG HYP A 24 1.692 -19.668 -2.484 1.00 87.98 C +HETATM 148 CD HYP A 24 0.544 -18.728 -2.069 1.00 89.88 C +HETATM 149 OD1 HYP A 24 2.585 -19.781 -1.402 1.00 88.55 O +HETATM 150 OXT HYP A 24 2.637 -17.071 -5.860 1.00 86.27 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_468.txt b/protein_pdb_468.txt new file mode 100644 index 0000000000000000000000000000000000000000..76b9e46fd9180090814dcb4c6ea62853e78bf21a --- /dev/null +++ b/protein_pdb_468.txt @@ -0,0 +1,1747 @@ +ATOM 1 N GLY A 1 -3.702 -95.010 -75.337 1.00 52.30 N +ATOM 2 CA GLY A 1 -3.761 -94.856 -73.871 1.00 58.19 C +ATOM 3 C GLY A 1 -4.811 -93.811 -73.573 1.00 56.75 C +ATOM 4 O GLY A 1 -5.045 -92.975 -74.437 1.00 54.68 O +ATOM 5 N GLN A 2 -5.482 -93.942 -72.478 1.00 64.22 N +ATOM 6 CA GLN A 2 -6.348 -92.866 -72.027 1.00 68.53 C +ATOM 7 C GLN A 2 -5.484 -91.804 -71.355 1.00 66.43 C +ATOM 8 O GLN A 2 -4.702 -92.144 -70.469 1.00 61.74 O +ATOM 9 CB GLN A 2 -7.416 -93.395 -71.052 1.00 65.29 C +ATOM 10 CG GLN A 2 -8.497 -94.224 -71.770 1.00 58.50 C +ATOM 11 CD GLN A 2 -9.550 -94.806 -70.814 1.00 53.24 C +ATOM 12 OE1 GLN A 2 -9.497 -94.689 -69.614 1.00 51.92 O +ATOM 13 NE2 GLN A 2 -10.557 -95.488 -71.326 1.00 48.11 N +ATOM 14 N ASP A 3 -5.610 -90.561 -71.784 1.00 60.89 N +ATOM 15 CA ASP A 3 -4.876 -89.435 -71.210 1.00 67.19 C +ATOM 16 C ASP A 3 -5.239 -89.255 -69.731 1.00 64.24 C +ATOM 17 O ASP A 3 -6.402 -89.382 -69.331 1.00 59.22 O +ATOM 18 CB ASP A 3 -5.166 -88.161 -72.028 1.00 64.14 C +ATOM 19 CG ASP A 3 -4.748 -88.291 -73.494 1.00 57.42 C +ATOM 20 OD1 ASP A 3 -3.707 -88.949 -73.759 1.00 53.76 O +ATOM 21 OD2 ASP A 3 -5.512 -87.803 -74.359 1.00 51.59 O +ATOM 22 N GLY A 4 -4.231 -89.020 -68.920 1.00 61.78 N +ATOM 23 CA GLY A 4 -4.418 -88.739 -67.493 1.00 63.66 C +ATOM 24 C GLY A 4 -5.256 -87.471 -67.304 1.00 63.52 C +ATOM 25 O GLY A 4 -5.056 -86.474 -67.997 1.00 59.99 O +ATOM 26 N ARG A 5 -6.191 -87.534 -66.409 1.00 63.69 N +ATOM 27 CA ARG A 5 -6.996 -86.353 -66.071 1.00 69.71 C +ATOM 28 C ARG A 5 -6.156 -85.376 -65.246 1.00 67.54 C +ATOM 29 O ARG A 5 -5.501 -85.802 -64.300 1.00 65.58 O +ATOM 30 CB ARG A 5 -8.270 -86.745 -65.317 1.00 66.90 C +ATOM 31 CG ARG A 5 -9.237 -87.577 -66.180 1.00 60.37 C +ATOM 32 CD ARG A 5 -10.530 -87.872 -65.388 1.00 58.11 C +ATOM 33 NE ARG A 5 -11.455 -88.718 -66.149 1.00 55.17 N +ATOM 34 CZ ARG A 5 -12.666 -89.093 -65.772 1.00 49.33 C +ATOM 35 NH1 ARG A 5 -13.160 -88.737 -64.611 1.00 49.36 N +ATOM 36 NH2 ARG A 5 -13.402 -89.845 -66.538 1.00 48.63 N +ATOM 37 N ASN A 6 -6.204 -84.149 -65.622 1.00 69.18 N +ATOM 38 CA ASN A 6 -5.584 -83.093 -64.825 1.00 73.32 C +ATOM 39 C ASN A 6 -6.151 -83.104 -63.395 1.00 71.67 C +ATOM 40 O ASN A 6 -7.343 -83.343 -63.199 1.00 66.68 O +ATOM 41 CB ASN A 6 -5.807 -81.729 -65.504 1.00 68.03 C +ATOM 42 CG ASN A 6 -5.026 -81.546 -66.799 1.00 61.06 C +ATOM 43 OD1 ASN A 6 -4.125 -82.297 -67.126 1.00 57.04 O +ATOM 44 ND2 ASN A 6 -5.356 -80.546 -67.582 1.00 54.75 N +ATOM 45 N GLY A 7 -5.284 -82.839 -62.405 1.00 66.56 N +ATOM 46 CA GLY A 7 -5.705 -82.698 -61.016 1.00 67.73 C +ATOM 47 C GLY A 7 -6.639 -81.497 -60.832 1.00 68.44 C +ATOM 48 O GLY A 7 -6.501 -80.483 -61.515 1.00 65.14 O +ATOM 49 N GLU A 8 -7.583 -81.635 -59.942 1.00 58.74 N +ATOM 50 CA GLU A 8 -8.511 -80.556 -59.619 1.00 65.01 C +ATOM 51 C GLU A 8 -7.797 -79.401 -58.912 1.00 62.90 C +ATOM 52 O GLU A 8 -6.882 -79.600 -58.110 1.00 61.47 O +ATOM 53 CB GLU A 8 -9.691 -81.085 -58.779 1.00 63.44 C +ATOM 54 CG GLU A 8 -10.586 -82.050 -59.583 1.00 58.09 C +ATOM 55 CD GLU A 8 -11.755 -82.650 -58.773 1.00 54.93 C +ATOM 56 OE1 GLU A 8 -12.654 -83.228 -59.419 1.00 52.83 O +ATOM 57 OE2 GLU A 8 -11.704 -82.595 -57.523 1.00 51.79 O +ATOM 58 N ARG A 9 -8.176 -78.173 -59.233 1.00 65.18 N +ATOM 59 CA ARG A 9 -7.644 -76.960 -58.596 1.00 70.25 C +ATOM 60 C ARG A 9 -7.994 -76.957 -57.100 1.00 67.76 C +ATOM 61 O ARG A 9 -9.129 -77.245 -56.743 1.00 62.65 O +ATOM 62 CB ARG A 9 -8.196 -75.724 -59.332 1.00 66.76 C +ATOM 63 CG ARG A 9 -7.606 -74.397 -58.836 1.00 60.89 C +ATOM 64 CD ARG A 9 -8.176 -73.224 -59.645 1.00 60.19 C +ATOM 65 NE ARG A 9 -7.633 -71.933 -59.191 1.00 56.62 N +ATOM 66 CZ ARG A 9 -7.959 -70.717 -59.632 1.00 51.36 C +ATOM 67 NH1 ARG A 9 -8.853 -70.519 -60.558 1.00 51.18 N +ATOM 68 NH2 ARG A 9 -7.384 -69.667 -59.140 1.00 50.09 N +ATOM 69 N GLY A 10 -7.027 -76.640 -56.243 1.00 68.98 N +ATOM 70 CA GLY A 10 -7.281 -76.498 -54.813 1.00 69.65 C +ATOM 71 C GLY A 10 -8.276 -75.365 -54.515 1.00 70.34 C +ATOM 72 O GLY A 10 -8.300 -74.356 -55.215 1.00 67.65 O +ATOM 73 N GLU A 11 -9.076 -75.552 -53.503 1.00 60.86 N +ATOM 74 CA GLU A 11 -10.050 -74.546 -53.067 1.00 66.87 C +ATOM 75 C GLU A 11 -9.356 -73.306 -52.496 1.00 64.32 C +ATOM 76 O GLU A 11 -8.315 -73.378 -51.836 1.00 62.86 O +ATOM 77 CB GLU A 11 -11.036 -75.133 -52.043 1.00 65.18 C +ATOM 78 CG GLU A 11 -11.935 -76.230 -52.643 1.00 60.13 C +ATOM 79 CD GLU A 11 -12.999 -76.760 -51.655 1.00 58.09 C +ATOM 80 OE1 GLU A 11 -13.922 -77.458 -52.129 1.00 55.14 O +ATOM 81 OE2 GLU A 11 -12.878 -76.478 -50.447 1.00 54.50 O +ATOM 82 N GLN A 12 -9.929 -72.139 -52.731 1.00 68.85 N +ATOM 83 CA GLN A 12 -9.433 -70.882 -52.188 1.00 72.86 C +ATOM 84 C GLN A 12 -9.575 -70.851 -50.664 1.00 71.56 C +ATOM 85 O GLN A 12 -10.616 -71.227 -50.118 1.00 66.09 O +ATOM 86 CB GLN A 12 -10.181 -69.717 -52.869 1.00 70.09 C +ATOM 87 CG GLN A 12 -9.630 -68.331 -52.485 1.00 65.91 C +ATOM 88 CD GLN A 12 -10.301 -67.195 -53.253 1.00 63.17 C +ATOM 89 OE1 GLN A 12 -11.210 -67.364 -54.051 1.00 61.29 O +ATOM 90 NE2 GLN A 12 -9.867 -65.967 -53.059 1.00 56.98 N +ATOM 91 N GLY A 13 -8.550 -70.411 -49.971 1.00 71.45 N +ATOM 92 CA GLY A 13 -8.597 -70.263 -48.514 1.00 72.48 C +ATOM 93 C GLY A 13 -9.648 -69.239 -48.068 1.00 73.33 C +ATOM 94 O GLY A 13 -9.955 -68.299 -48.801 1.00 70.83 O +ATOM 95 N PRO A 14 -10.197 -69.409 -46.860 1.00 67.16 N +ATOM 96 CA PRO A 14 -11.200 -68.489 -46.334 1.00 70.83 C +ATOM 97 C PRO A 14 -10.619 -67.079 -46.113 1.00 68.53 C +ATOM 98 O PRO A 14 -9.455 -66.924 -45.752 1.00 66.26 O +ATOM 99 CB PRO A 14 -11.698 -69.115 -45.024 1.00 70.02 C +ATOM 100 CG PRO A 14 -10.504 -69.944 -44.557 1.00 67.93 C +ATOM 101 CD PRO A 14 -9.882 -70.432 -45.862 1.00 70.35 C +ATOM 102 N THR A 15 -11.448 -66.071 -46.278 1.00 73.99 N +ATOM 103 CA THR A 15 -11.093 -64.681 -45.954 1.00 75.84 C +ATOM 104 C THR A 15 -10.716 -64.554 -44.471 1.00 73.55 C +ATOM 105 O THR A 15 -11.388 -65.117 -43.605 1.00 68.86 O +ATOM 106 CB THR A 15 -12.251 -63.719 -46.281 1.00 73.25 C +ATOM 107 OG1 THR A 15 -12.684 -63.932 -47.609 1.00 69.03 O +ATOM 108 CG2 THR A 15 -11.881 -62.243 -46.174 1.00 68.18 C +ATOM 109 N GLY A 16 -9.651 -63.823 -44.163 1.00 71.77 N +ATOM 110 CA GLY A 16 -9.233 -63.553 -42.792 1.00 72.31 C +ATOM 111 C GLY A 16 -10.294 -62.774 -41.998 1.00 73.31 C +ATOM 112 O GLY A 16 -11.076 -62.029 -42.584 1.00 70.89 O +ATOM 113 N PRO A 17 -10.319 -62.941 -40.667 1.00 68.88 N +ATOM 114 CA PRO A 17 -11.265 -62.221 -39.821 1.00 72.02 C +ATOM 115 C PRO A 17 -11.016 -60.702 -39.866 1.00 69.43 C +ATOM 116 O PRO A 17 -9.876 -60.255 -39.960 1.00 67.13 O +ATOM 117 CB PRO A 17 -11.078 -62.790 -38.415 1.00 71.03 C +ATOM 118 CG PRO A 17 -9.623 -63.257 -38.412 1.00 69.96 C +ATOM 119 CD PRO A 17 -9.403 -63.731 -39.849 1.00 72.84 C +ATOM 120 N THR A 18 -12.081 -59.930 -39.728 1.00 73.16 N +ATOM 121 CA THR A 18 -11.987 -58.470 -39.573 1.00 74.74 C +ATOM 122 C THR A 18 -11.113 -58.109 -38.373 1.00 72.06 C +ATOM 123 O THR A 18 -11.222 -58.718 -37.311 1.00 67.13 O +ATOM 124 CB THR A 18 -13.384 -57.845 -39.410 1.00 72.41 C +ATOM 125 OG1 THR A 18 -14.250 -58.304 -40.427 1.00 68.43 O +ATOM 126 CG2 THR A 18 -13.393 -56.319 -39.461 1.00 67.56 C +ATOM 127 N GLY A 19 -10.227 -57.131 -38.542 1.00 71.95 N +ATOM 128 CA GLY A 19 -9.372 -56.642 -37.467 1.00 72.94 C +ATOM 129 C GLY A 19 -10.170 -56.112 -36.270 1.00 74.30 C +ATOM 130 O GLY A 19 -11.303 -55.652 -36.436 1.00 71.73 O +ATOM 131 N PRO A 20 -9.592 -56.173 -35.069 1.00 69.29 N +ATOM 132 CA PRO A 20 -10.246 -55.633 -33.888 1.00 72.40 C +ATOM 133 C PRO A 20 -10.482 -54.116 -34.023 1.00 70.27 C +ATOM 134 O PRO A 20 -9.712 -53.417 -34.677 1.00 68.42 O +ATOM 135 CB PRO A 20 -9.326 -55.972 -32.707 1.00 71.43 C +ATOM 136 CG PRO A 20 -7.946 -56.051 -33.354 1.00 70.15 C +ATOM 137 CD PRO A 20 -8.237 -56.620 -34.742 1.00 72.89 C +ATOM 138 N ALA A 21 -11.521 -53.609 -33.368 1.00 73.47 N +ATOM 139 CA ALA A 21 -11.768 -52.169 -33.303 1.00 75.83 C +ATOM 140 C ALA A 21 -10.578 -51.438 -32.651 1.00 74.46 C +ATOM 141 O ALA A 21 -9.982 -51.933 -31.694 1.00 70.15 O +ATOM 142 CB ALA A 21 -13.076 -51.904 -32.535 1.00 72.84 C +ATOM 143 N GLY A 22 -10.267 -50.257 -33.174 1.00 70.97 N +ATOM 144 CA GLY A 22 -9.205 -49.415 -32.626 1.00 72.55 C +ATOM 145 C GLY A 22 -9.443 -49.054 -31.156 1.00 73.54 C +ATOM 146 O GLY A 22 -10.587 -49.020 -30.697 1.00 70.82 O +ATOM 147 N PRO A 23 -8.365 -48.791 -30.401 1.00 66.88 N +ATOM 148 CA PRO A 23 -8.486 -48.390 -29.003 1.00 70.79 C +ATOM 149 C PRO A 23 -9.288 -47.089 -28.881 1.00 68.98 C +ATOM 150 O PRO A 23 -9.235 -46.208 -29.741 1.00 66.94 O +ATOM 151 CB PRO A 23 -7.054 -48.245 -28.484 1.00 69.18 C +ATOM 152 CG PRO A 23 -6.252 -47.917 -29.747 1.00 67.28 C +ATOM 153 CD PRO A 23 -6.972 -48.715 -30.833 1.00 70.17 C +ATOM 154 N ARG A 24 -10.001 -46.947 -27.763 1.00 61.98 N +ATOM 155 CA ARG A 24 -10.721 -45.719 -27.446 1.00 66.48 C +ATOM 156 C ARG A 24 -9.748 -44.542 -27.344 1.00 63.17 C +ATOM 157 O ARG A 24 -8.703 -44.662 -26.709 1.00 59.38 O +ATOM 158 CB ARG A 24 -11.509 -45.916 -26.144 1.00 65.14 C +ATOM 159 CG ARG A 24 -12.400 -44.708 -25.814 1.00 61.59 C +ATOM 160 CD ARG A 24 -13.196 -44.980 -24.546 1.00 61.91 C +ATOM 161 NE ARG A 24 -14.071 -43.839 -24.228 1.00 58.78 N +ATOM 162 CZ ARG A 24 -14.897 -43.755 -23.201 1.00 52.93 C +ATOM 163 NH1 ARG A 24 -15.004 -44.721 -22.327 1.00 53.09 N +ATOM 164 NH2 ARG A 24 -15.637 -42.700 -23.042 1.00 51.14 N +ATOM 165 N GLY A 25 -10.118 -43.411 -27.916 1.00 67.87 N +ATOM 166 CA GLY A 25 -9.334 -42.180 -27.829 1.00 68.86 C +ATOM 167 C GLY A 25 -9.027 -41.785 -26.376 1.00 69.80 C +ATOM 168 O GLY A 25 -9.836 -41.995 -25.471 1.00 66.10 O +ATOM 169 N LEU A 26 -7.835 -41.227 -26.175 1.00 62.00 N +ATOM 170 CA LEU A 26 -7.415 -40.759 -24.856 1.00 67.08 C +ATOM 171 C LEU A 26 -8.356 -39.657 -24.350 1.00 65.83 C +ATOM 172 O LEU A 26 -8.877 -38.846 -25.115 1.00 63.84 O +ATOM 173 CB LEU A 26 -5.953 -40.268 -24.885 1.00 64.81 C +ATOM 174 CG LEU A 26 -4.911 -41.371 -25.189 1.00 60.36 C +ATOM 175 CD1 LEU A 26 -3.522 -40.743 -25.279 1.00 58.01 C +ATOM 176 CD2 LEU A 26 -4.875 -42.446 -24.101 1.00 56.29 C +ATOM 177 N GLN A 27 -8.557 -39.636 -23.029 1.00 62.32 N +ATOM 178 CA GLN A 27 -9.313 -38.567 -22.394 1.00 66.13 C +ATOM 179 C GLN A 27 -8.634 -37.223 -22.671 1.00 63.05 C +ATOM 180 O GLN A 27 -7.413 -37.110 -22.562 1.00 59.40 O +ATOM 181 CB GLN A 27 -9.440 -38.867 -20.896 1.00 64.84 C +ATOM 182 CG GLN A 27 -10.335 -37.855 -20.163 1.00 61.83 C +ATOM 183 CD GLN A 27 -10.560 -38.201 -18.693 1.00 59.54 C +ATOM 184 OE1 GLN A 27 -10.127 -39.222 -18.178 1.00 57.99 O +ATOM 185 NE2 GLN A 27 -11.257 -37.369 -17.949 1.00 54.73 N +ATOM 186 N GLY A 28 -9.423 -36.203 -22.988 1.00 64.10 N +ATOM 187 CA GLY A 28 -8.925 -34.852 -23.196 1.00 66.32 C +ATOM 188 C GLY A 28 -8.149 -34.337 -21.982 1.00 67.01 C +ATOM 189 O GLY A 28 -8.465 -34.649 -20.835 1.00 63.82 O +ATOM 190 N LEU A 29 -7.107 -33.554 -22.264 1.00 60.21 N +ATOM 191 CA LEU A 29 -6.299 -32.943 -21.211 1.00 65.76 C +ATOM 192 C LEU A 29 -7.170 -32.066 -20.316 1.00 65.61 C +ATOM 193 O LEU A 29 -8.133 -31.441 -20.752 1.00 63.58 O +ATOM 194 CB LEU A 29 -5.130 -32.141 -21.814 1.00 63.07 C +ATOM 195 CG LEU A 29 -4.088 -32.993 -22.569 1.00 58.55 C +ATOM 196 CD1 LEU A 29 -3.025 -32.080 -23.186 1.00 56.27 C +ATOM 197 CD2 LEU A 29 -3.380 -33.995 -21.650 1.00 54.19 C +ATOM 198 N GLN A 30 -6.807 -32.027 -19.047 1.00 62.20 N +ATOM 199 CA GLN A 30 -7.482 -31.160 -18.102 1.00 66.91 C +ATOM 200 C GLN A 30 -7.262 -29.698 -18.494 1.00 64.48 C +ATOM 201 O GLN A 30 -6.138 -29.314 -18.824 1.00 60.26 O +ATOM 202 CB GLN A 30 -6.975 -31.491 -16.697 1.00 65.07 C +ATOM 203 CG GLN A 30 -7.818 -30.795 -15.635 1.00 61.58 C +ATOM 204 CD GLN A 30 -7.638 -31.397 -14.251 1.00 58.82 C +ATOM 205 OE1 GLN A 30 -6.718 -32.141 -13.954 1.00 57.23 O +ATOM 206 NE2 GLN A 30 -8.519 -31.082 -13.324 1.00 53.99 N +ATOM 207 N GLY A 31 -8.310 -28.900 -18.428 1.00 60.80 N +ATOM 208 CA GLY A 31 -8.215 -27.467 -18.690 1.00 63.64 C +ATOM 209 C GLY A 31 -7.168 -26.788 -17.805 1.00 64.72 C +ATOM 210 O GLY A 31 -6.963 -27.182 -16.655 1.00 61.78 O +ATOM 211 N LEU A 32 -6.488 -25.795 -18.371 1.00 60.03 N +ATOM 212 CA LEU A 32 -5.499 -25.009 -17.638 1.00 65.47 C +ATOM 213 C LEU A 32 -6.156 -24.329 -16.427 1.00 65.40 C +ATOM 214 O LEU A 32 -7.336 -23.971 -16.459 1.00 63.29 O +ATOM 215 CB LEU A 32 -4.828 -23.986 -18.565 1.00 62.66 C +ATOM 216 CG LEU A 32 -4.002 -24.605 -19.718 1.00 57.80 C +ATOM 217 CD1 LEU A 32 -3.459 -23.507 -20.623 1.00 55.29 C +ATOM 218 CD2 LEU A 32 -2.825 -25.434 -19.206 1.00 53.67 C +ATOM 219 N GLN A 33 -5.383 -24.186 -15.364 1.00 63.64 N +ATOM 220 CA GLN A 33 -5.824 -23.412 -14.212 1.00 69.03 C +ATOM 221 C GLN A 33 -6.070 -21.962 -14.643 1.00 66.58 C +ATOM 222 O GLN A 33 -5.264 -21.404 -15.384 1.00 62.46 O +ATOM 223 CB GLN A 33 -4.774 -23.520 -13.092 1.00 66.29 C +ATOM 224 CG GLN A 33 -5.198 -22.820 -11.788 1.00 62.08 C +ATOM 225 CD GLN A 33 -4.226 -23.036 -10.631 1.00 58.82 C +ATOM 226 OE1 GLN A 33 -3.280 -23.802 -10.710 1.00 57.93 O +ATOM 227 NE2 GLN A 33 -4.431 -22.379 -9.509 1.00 54.69 N +ATOM 228 N GLY A 34 -7.170 -21.376 -14.196 1.00 61.71 N +ATOM 229 CA GLY A 34 -7.465 -19.971 -14.440 1.00 64.52 C +ATOM 230 C GLY A 34 -6.365 -19.054 -13.905 1.00 66.70 C +ATOM 231 O GLY A 34 -5.688 -19.381 -12.932 1.00 64.14 O +ATOM 232 N GLU A 35 -6.191 -17.919 -14.571 1.00 56.93 N +ATOM 233 CA GLU A 35 -5.221 -16.913 -14.125 1.00 65.04 C +ATOM 234 C GLU A 35 -5.536 -16.448 -12.705 1.00 63.82 C +ATOM 235 O GLU A 35 -6.688 -16.394 -12.269 1.00 61.96 O +ATOM 236 CB GLU A 35 -5.179 -15.726 -15.093 1.00 62.07 C +ATOM 237 CG GLU A 35 -4.649 -16.140 -16.490 1.00 56.88 C +ATOM 238 CD GLU A 35 -4.467 -14.948 -17.435 1.00 52.95 C +ATOM 239 OE1 GLU A 35 -3.758 -15.145 -18.455 1.00 50.05 O +ATOM 240 OE2 GLU A 35 -5.029 -13.866 -17.164 1.00 49.62 O +ATOM 241 N ARG A 36 -4.466 -16.116 -11.968 1.00 65.99 N +ATOM 242 CA ARG A 36 -4.612 -15.572 -10.621 1.00 71.69 C +ATOM 243 C ARG A 36 -5.372 -14.254 -10.679 1.00 68.99 C +ATOM 244 O ARG A 36 -5.039 -13.389 -11.481 1.00 64.34 O +ATOM 245 CB ARG A 36 -3.217 -15.410 -9.995 1.00 68.64 C +ATOM 246 CG ARG A 36 -3.313 -14.972 -8.526 1.00 65.14 C +ATOM 247 CD ARG A 36 -1.909 -14.891 -7.934 1.00 63.74 C +ATOM 248 NE ARG A 36 -1.970 -14.567 -6.511 1.00 61.35 N +ATOM 249 CZ ARG A 36 -0.941 -14.435 -5.685 1.00 56.76 C +ATOM 250 NH1 ARG A 36 0.285 -14.558 -6.121 1.00 56.26 N +ATOM 251 NH2 ARG A 36 -1.140 -14.193 -4.427 1.00 55.11 N +ATOM 252 N GLY A 37 -6.350 -14.088 -9.799 1.00 62.39 N +ATOM 253 CA GLY A 37 -7.099 -12.843 -9.705 1.00 64.15 C +ATOM 254 C GLY A 37 -6.192 -11.637 -9.429 1.00 66.11 C +ATOM 255 O GLY A 37 -5.176 -11.746 -8.741 1.00 63.87 O +ATOM 256 N GLU A 38 -6.581 -10.487 -9.974 1.00 57.26 N +ATOM 257 CA GLU A 38 -5.860 -9.237 -9.760 1.00 64.95 C +ATOM 258 C GLU A 38 -5.761 -8.899 -8.264 1.00 63.01 C +ATOM 259 O GLU A 38 -6.636 -9.216 -7.454 1.00 61.11 O +ATOM 260 CB GLU A 38 -6.513 -8.074 -10.517 1.00 62.28 C +ATOM 261 CG GLU A 38 -6.441 -8.245 -12.048 1.00 56.82 C +ATOM 262 CD GLU A 38 -6.969 -7.013 -12.806 1.00 53.22 C +ATOM 263 OE1 GLU A 38 -6.706 -6.929 -14.025 1.00 50.30 O +ATOM 264 OE2 GLU A 38 -7.630 -6.150 -12.165 1.00 49.81 O +ATOM 265 N GLN A 39 -4.655 -8.240 -7.902 1.00 66.36 N +ATOM 266 CA GLN A 39 -4.470 -7.766 -6.538 1.00 70.57 C +ATOM 267 C GLN A 39 -5.566 -6.755 -6.185 1.00 67.56 C +ATOM 268 O GLN A 39 -5.848 -5.838 -6.955 1.00 63.14 O +ATOM 269 CB GLN A 39 -3.058 -7.176 -6.392 1.00 69.00 C +ATOM 270 CG GLN A 39 -2.755 -6.774 -4.946 1.00 66.95 C +ATOM 271 CD GLN A 39 -1.319 -6.287 -4.736 1.00 63.97 C +ATOM 272 OE1 GLN A 39 -0.492 -6.230 -5.632 1.00 63.67 O +ATOM 273 NE2 GLN A 39 -0.958 -5.927 -3.530 1.00 60.36 N +ATOM 274 N GLY A 40 -6.154 -6.895 -5.005 1.00 63.28 N +ATOM 275 CA GLY A 40 -7.158 -5.960 -4.521 1.00 64.45 C +ATOM 276 C GLY A 40 -6.626 -4.519 -4.439 1.00 64.91 C +ATOM 277 O GLY A 40 -5.423 -4.303 -4.264 1.00 62.79 O +ATOM 278 N PRO A 41 -7.516 -3.520 -4.546 1.00 63.07 N +ATOM 279 CA PRO A 41 -7.118 -2.124 -4.475 1.00 66.63 C +ATOM 280 C PRO A 41 -6.441 -1.813 -3.139 1.00 64.64 C +ATOM 281 O PRO A 41 -6.752 -2.396 -2.101 1.00 62.85 O +ATOM 282 CB PRO A 41 -8.400 -1.313 -4.684 1.00 65.54 C +ATOM 283 CG PRO A 41 -9.496 -2.254 -4.202 1.00 63.37 C +ATOM 284 CD PRO A 41 -8.967 -3.629 -4.610 1.00 65.93 C +ATOM 285 N THR A 42 -5.523 -0.844 -3.169 1.00 68.78 N +ATOM 286 CA THR A 42 -4.883 -0.346 -1.943 1.00 70.54 C +ATOM 287 C THR A 42 -5.951 0.210 -0.991 1.00 67.79 C +ATOM 288 O THR A 42 -6.820 0.965 -1.422 1.00 63.80 O +ATOM 289 CB THR A 42 -3.864 0.743 -2.266 1.00 68.60 C +ATOM 290 OG1 THR A 42 -2.909 0.305 -3.207 1.00 64.17 O +ATOM 291 CG2 THR A 42 -3.085 1.184 -1.024 1.00 63.78 C +ATOM 292 N GLY A 43 -5.848 -0.128 0.281 1.00 62.06 N +ATOM 293 CA GLY A 43 -6.729 0.397 1.311 1.00 63.92 C +ATOM 294 C GLY A 43 -6.726 1.937 1.372 1.00 64.70 C +ATOM 295 O GLY A 43 -5.748 2.586 0.975 1.00 62.85 O +ATOM 296 N PRO A 44 -7.819 2.541 1.864 1.00 65.48 N +ATOM 297 CA PRO A 44 -7.913 3.988 1.988 1.00 68.70 C +ATOM 298 C PRO A 44 -6.803 4.530 2.900 1.00 67.68 C +ATOM 299 O PRO A 44 -6.347 3.857 3.819 1.00 65.66 O +ATOM 300 CB PRO A 44 -9.315 4.268 2.547 1.00 67.24 C +ATOM 301 CG PRO A 44 -9.657 2.991 3.302 1.00 65.70 C +ATOM 302 CD PRO A 44 -8.984 1.900 2.463 1.00 68.55 C +ATOM 303 N ALA A 45 -6.381 5.771 2.634 1.00 70.17 N +ATOM 304 CA ALA A 45 -5.423 6.437 3.505 1.00 73.01 C +ATOM 305 C ALA A 45 -6.002 6.577 4.922 1.00 72.06 C +ATOM 306 O ALA A 45 -7.187 6.876 5.080 1.00 68.23 O +ATOM 307 CB ALA A 45 -5.041 7.801 2.909 1.00 70.01 C +ATOM 308 N GLY A 46 -5.150 6.397 5.924 1.00 62.09 N +ATOM 309 CA GLY A 46 -5.534 6.603 7.312 1.00 64.46 C +ATOM 310 C GLY A 46 -6.068 8.022 7.569 1.00 65.22 C +ATOM 311 O GLY A 46 -5.726 8.966 6.844 1.00 62.95 O +ATOM 312 N PRO A 47 -6.915 8.188 8.593 1.00 65.36 N +ATOM 313 CA PRO A 47 -7.474 9.489 8.940 1.00 69.25 C +ATOM 314 C PRO A 47 -6.355 10.499 9.245 1.00 68.65 C +ATOM 315 O PRO A 47 -5.280 10.144 9.727 1.00 66.13 O +ATOM 316 CB PRO A 47 -8.393 9.249 10.138 1.00 67.23 C +ATOM 317 CG PRO A 47 -7.814 7.996 10.793 1.00 65.79 C +ATOM 318 CD PRO A 47 -7.291 7.198 9.591 1.00 68.91 C +ATOM 319 N ARG A 48 -6.623 11.766 8.946 1.00 66.88 N +ATOM 320 CA ARG A 48 -5.703 12.846 9.303 1.00 70.87 C +ATOM 321 C ARG A 48 -5.545 12.895 10.827 1.00 68.49 C +ATOM 322 O ARG A 48 -6.542 12.828 11.527 1.00 64.05 O +ATOM 323 CB ARG A 48 -6.234 14.170 8.742 1.00 67.71 C +ATOM 324 CG ARG A 48 -5.272 15.341 8.974 1.00 62.91 C +ATOM 325 CD ARG A 48 -5.847 16.614 8.364 1.00 63.63 C +ATOM 326 NE ARG A 48 -4.957 17.764 8.566 1.00 59.58 N +ATOM 327 CZ ARG A 48 -5.180 19.009 8.171 1.00 53.39 C +ATOM 328 NH1 ARG A 48 -6.267 19.350 7.532 1.00 53.06 N +ATOM 329 NH2 ARG A 48 -4.315 19.946 8.419 1.00 50.82 N +ATOM 330 N GLY A 49 -4.318 13.048 11.298 1.00 63.78 N +ATOM 331 CA GLY A 49 -4.050 13.239 12.719 1.00 64.98 C +ATOM 332 C GLY A 49 -4.833 14.429 13.286 1.00 65.94 C +ATOM 333 O GLY A 49 -5.068 15.417 12.588 1.00 63.03 O +ATOM 334 N LEU A 50 -5.252 14.300 14.541 1.00 64.94 N +ATOM 335 CA LEU A 50 -5.964 15.368 15.232 1.00 68.79 C +ATOM 336 C LEU A 50 -5.092 16.624 15.289 1.00 68.04 C +ATOM 337 O LEU A 50 -3.871 16.543 15.400 1.00 65.56 O +ATOM 338 CB LEU A 50 -6.401 14.912 16.644 1.00 66.07 C +ATOM 339 CG LEU A 50 -7.419 13.760 16.666 1.00 61.72 C +ATOM 340 CD1 LEU A 50 -7.699 13.334 18.105 1.00 59.27 C +ATOM 341 CD2 LEU A 50 -8.745 14.134 16.006 1.00 57.52 C +ATOM 342 N GLN A 51 -5.745 17.785 15.168 1.00 71.30 N +ATOM 343 CA GLN A 51 -5.047 19.056 15.349 1.00 74.00 C +ATOM 344 C GLN A 51 -4.521 19.137 16.786 1.00 72.36 C +ATOM 345 O GLN A 51 -5.261 18.833 17.717 1.00 68.15 O +ATOM 346 CB GLN A 51 -6.005 20.205 15.010 1.00 70.08 C +ATOM 347 CG GLN A 51 -5.320 21.574 15.094 1.00 65.59 C +ATOM 348 CD GLN A 51 -6.210 22.729 14.644 1.00 63.28 C +ATOM 349 OE1 GLN A 51 -7.326 22.581 14.178 1.00 60.64 O +ATOM 350 NE2 GLN A 51 -5.735 23.946 14.758 1.00 57.22 N +ATOM 351 N GLY A 52 -3.277 19.557 16.941 1.00 63.12 N +ATOM 352 CA GLY A 52 -2.708 19.788 18.267 1.00 64.82 C +ATOM 353 C GLY A 52 -3.555 20.769 19.077 1.00 66.32 C +ATOM 354 O GLY A 52 -4.138 21.708 18.527 1.00 63.64 O +ATOM 355 N GLU A 53 -3.628 20.533 20.388 1.00 62.34 N +ATOM 356 CA GLU A 53 -4.348 21.419 21.296 1.00 67.22 C +ATOM 357 C GLU A 53 -3.768 22.833 21.240 1.00 66.71 C +ATOM 358 O GLU A 53 -2.577 23.054 20.973 1.00 64.93 O +ATOM 359 CB GLU A 53 -4.347 20.873 22.734 1.00 64.06 C +ATOM 360 CG GLU A 53 -5.138 19.550 22.830 1.00 59.33 C +ATOM 361 CD GLU A 53 -5.320 19.059 24.280 1.00 56.25 C +ATOM 362 OE1 GLU A 53 -6.183 18.173 24.456 1.00 53.11 O +ATOM 363 OE2 GLU A 53 -4.611 19.572 25.175 1.00 52.10 O +ATOM 364 N ARG A 54 -4.659 23.810 21.430 1.00 68.95 N +ATOM 365 CA ARG A 54 -4.237 25.205 21.477 1.00 73.29 C +ATOM 366 C ARG A 54 -3.342 25.412 22.693 1.00 71.76 C +ATOM 367 O ARG A 54 -3.742 25.045 23.793 1.00 66.98 O +ATOM 368 CB ARG A 54 -5.483 26.095 21.517 1.00 69.06 C +ATOM 369 CG ARG A 54 -5.136 27.584 21.602 1.00 64.67 C +ATOM 370 CD ARG A 54 -6.428 28.391 21.644 1.00 64.83 C +ATOM 371 NE ARG A 54 -6.162 29.817 21.869 1.00 61.10 N +ATOM 372 CZ ARG A 54 -7.072 30.755 22.014 1.00 56.08 C +ATOM 373 NH1 ARG A 54 -8.347 30.514 21.894 1.00 55.42 N +ATOM 374 NH2 ARG A 54 -6.713 31.984 22.309 1.00 53.63 N +ATOM 375 N GLY A 55 -2.198 26.050 22.492 1.00 62.86 N +ATOM 376 CA GLY A 55 -1.336 26.416 23.607 1.00 63.75 C +ATOM 377 C GLY A 55 -2.094 27.236 24.660 1.00 65.01 C +ATOM 378 O GLY A 55 -2.948 28.060 24.329 1.00 62.25 O +ATOM 379 N GLU A 56 -1.773 26.996 25.929 1.00 60.97 N +ATOM 380 CA GLU A 56 -2.361 27.728 27.043 1.00 65.77 C +ATOM 381 C GLU A 56 -2.086 29.236 26.905 1.00 64.22 C +ATOM 382 O GLU A 56 -1.061 29.673 26.382 1.00 62.28 O +ATOM 383 CB GLU A 56 -1.853 27.215 28.396 1.00 63.12 C +ATOM 384 CG GLU A 56 -2.316 25.770 28.681 1.00 58.69 C +ATOM 385 CD GLU A 56 -1.965 25.300 30.114 1.00 56.40 C +ATOM 386 OE1 GLU A 56 -2.554 24.278 30.532 1.00 53.61 O +ATOM 387 OE2 GLU A 56 -1.146 25.973 30.770 1.00 52.39 O +ATOM 388 N GLN A 57 -3.064 30.034 27.338 1.00 69.95 N +ATOM 389 CA GLN A 57 -2.898 31.476 27.339 1.00 72.97 C +ATOM 390 C GLN A 57 -1.778 31.850 28.311 1.00 71.76 C +ATOM 391 O GLN A 57 -1.796 31.413 29.460 1.00 67.42 O +ATOM 392 CB GLN A 57 -4.231 32.141 27.680 1.00 69.70 C +ATOM 393 CG GLN A 57 -4.149 33.666 27.601 1.00 66.18 C +ATOM 394 CD GLN A 57 -5.460 34.356 27.967 1.00 64.57 C +ATOM 395 OE1 GLN A 57 -6.560 33.882 27.750 1.00 62.74 O +ATOM 396 NE2 GLN A 57 -5.388 35.541 28.528 1.00 58.94 N +ATOM 397 N GLY A 58 -0.859 32.694 27.869 1.00 60.28 N +ATOM 398 CA GLY A 58 0.181 33.194 28.757 1.00 60.89 C +ATOM 399 C GLY A 58 -0.405 33.871 30.007 1.00 60.74 C +ATOM 400 O GLY A 58 -1.483 34.469 29.939 1.00 58.31 O +ATOM 401 N PRO A 59 0.290 33.790 31.152 1.00 60.68 N +ATOM 402 CA PRO A 59 -0.186 34.398 32.388 1.00 64.21 C +ATOM 403 C PRO A 59 -0.372 35.910 32.201 1.00 62.20 C +ATOM 404 O PRO A 59 0.381 36.571 31.493 1.00 60.02 O +ATOM 405 CB PRO A 59 0.857 34.063 33.458 1.00 63.31 C +ATOM 406 CG PRO A 59 2.138 33.843 32.654 1.00 61.87 C +ATOM 407 CD PRO A 59 1.617 33.230 31.348 1.00 64.27 C +ATOM 408 N THR A 60 -1.408 36.458 32.853 1.00 69.08 N +ATOM 409 CA THR A 60 -1.611 37.907 32.875 1.00 70.20 C +ATOM 410 C THR A 60 -0.412 38.572 33.548 1.00 68.18 C +ATOM 411 O THR A 60 0.027 38.124 34.608 1.00 63.96 O +ATOM 412 CB THR A 60 -2.909 38.275 33.613 1.00 67.89 C +ATOM 413 OG1 THR A 60 -3.995 37.590 33.032 1.00 63.60 O +ATOM 414 CG2 THR A 60 -3.240 39.759 33.542 1.00 64.04 C +ATOM 415 N GLY A 61 0.098 39.638 32.943 1.00 58.37 N +ATOM 416 CA GLY A 61 1.173 40.411 33.550 1.00 59.55 C +ATOM 417 C GLY A 61 0.783 40.891 34.952 1.00 59.85 C +ATOM 418 O GLY A 61 -0.360 41.273 35.202 1.00 57.66 O +ATOM 419 N LEU A 62 1.747 40.864 35.868 1.00 58.45 N +ATOM 420 CA LEU A 62 1.533 41.357 37.222 1.00 62.66 C +ATOM 421 C LEU A 62 1.137 42.844 37.177 1.00 60.33 C +ATOM 422 O LEU A 62 1.677 43.615 36.382 1.00 58.74 O +ATOM 423 CB LEU A 62 2.792 41.142 38.087 1.00 61.56 C +ATOM 424 CG LEU A 62 3.149 39.667 38.342 1.00 59.07 C +ATOM 425 CD1 LEU A 62 4.480 39.584 39.100 1.00 57.39 C +ATOM 426 CD2 LEU A 62 2.082 38.939 39.168 1.00 56.11 C +ATOM 427 N ALA A 63 0.196 43.232 38.042 1.00 68.12 N +ATOM 428 CA ALA A 63 -0.152 44.637 38.191 1.00 70.38 C +ATOM 429 C ALA A 63 1.093 45.443 38.591 1.00 69.49 C +ATOM 430 O ALA A 63 1.885 45.008 39.425 1.00 65.60 O +ATOM 431 CB ALA A 63 -1.286 44.778 39.212 1.00 66.99 C +ATOM 432 N GLY A 64 1.233 46.621 37.994 1.00 58.76 N +ATOM 433 CA GLY A 64 2.292 47.546 38.379 1.00 60.69 C +ATOM 434 C GLY A 64 2.192 47.901 39.869 1.00 61.21 C +ATOM 435 O GLY A 64 1.104 48.002 40.429 1.00 59.39 O +ATOM 436 N LYS A 65 3.348 48.066 40.498 1.00 57.83 N +ATOM 437 CA LYS A 65 3.379 48.515 41.902 1.00 63.28 C +ATOM 438 C LYS A 65 2.694 49.872 42.002 1.00 60.14 C +ATOM 439 O LYS A 65 2.845 50.722 41.128 1.00 60.06 O +ATOM 440 CB LYS A 65 4.822 48.581 42.419 1.00 61.97 C +ATOM 441 CG LYS A 65 5.485 47.202 42.527 1.00 58.64 C +ATOM 442 CD LYS A 65 6.900 47.342 43.103 1.00 57.44 C +ATOM 443 CE LYS A 65 7.601 45.986 43.201 1.00 54.28 C +ATOM 444 NZ LYS A 65 8.978 46.131 43.733 1.00 48.55 N +ATOM 445 N ALA A 66 1.930 50.086 43.086 1.00 67.10 N +ATOM 446 CA ALA A 66 1.379 51.406 43.369 1.00 69.92 C +ATOM 447 C ALA A 66 2.513 52.426 43.498 1.00 68.73 C +ATOM 448 O ALA A 66 3.544 52.129 44.089 1.00 64.78 O +ATOM 449 CB ALA A 66 0.530 51.333 44.642 1.00 67.12 C +ATOM 450 N GLY A 67 2.293 53.617 42.948 1.00 60.15 N +ATOM 451 CA GLY A 67 3.241 54.713 43.101 1.00 62.13 C +ATOM 452 C GLY A 67 3.486 55.039 44.578 1.00 63.25 C +ATOM 453 O GLY A 67 2.579 54.936 45.411 1.00 61.38 O +ATOM 454 N GLU A 68 4.710 55.428 44.889 1.00 53.59 N +ATOM 455 CA GLU A 68 5.057 55.866 46.241 1.00 58.62 C +ATOM 456 C GLU A 68 4.242 57.105 46.623 1.00 55.93 C +ATOM 457 O GLU A 68 3.883 57.934 45.786 1.00 55.39 O +ATOM 458 CB GLU A 68 6.569 56.114 46.373 1.00 58.33 C +ATOM 459 CG GLU A 68 7.367 54.796 46.225 1.00 54.73 C +ATOM 460 CD GLU A 68 8.877 54.944 46.483 1.00 52.18 C +ATOM 461 OE1 GLU A 68 9.521 53.875 46.643 1.00 50.82 O +ATOM 462 OE2 GLU A 68 9.367 56.088 46.513 1.00 50.26 O +ATOM 463 N ALA A 69 3.882 57.210 47.915 1.00 66.28 N +ATOM 464 CA ALA A 69 3.188 58.398 48.407 1.00 68.50 C +ATOM 465 C ALA A 69 4.083 59.630 48.221 1.00 67.48 C +ATOM 466 O ALA A 69 5.268 59.579 48.529 1.00 63.86 O +ATOM 467 CB ALA A 69 2.795 58.191 49.867 1.00 65.94 C +ATOM 468 N GLY A 70 3.480 60.728 47.767 1.00 59.65 N +ATOM 469 CA GLY A 70 4.202 61.991 47.644 1.00 61.23 C +ATOM 470 C GLY A 70 4.837 62.420 48.973 1.00 61.89 C +ATOM 471 O GLY A 70 4.279 62.199 50.046 1.00 59.94 O +ATOM 472 N ALA A 71 5.991 63.058 48.874 1.00 57.88 N +ATOM 473 CA ALA A 71 6.682 63.596 50.045 1.00 62.71 C +ATOM 474 C ALA A 71 5.788 64.616 50.772 1.00 61.66 C +ATOM 475 O ALA A 71 4.978 65.315 50.173 1.00 60.38 O +ATOM 476 CB ALA A 71 8.026 64.198 49.597 1.00 61.02 C +ATOM 477 N LYS A 72 5.931 64.648 52.087 1.00 63.24 N +ATOM 478 CA LYS A 72 5.238 65.658 52.879 1.00 68.22 C +ATOM 479 C LYS A 72 5.701 67.049 52.430 1.00 66.64 C +ATOM 480 O LYS A 72 6.899 67.272 52.309 1.00 63.83 O +ATOM 481 CB LYS A 72 5.512 65.411 54.372 1.00 64.92 C +ATOM 482 CG LYS A 72 4.729 66.365 55.283 1.00 60.64 C +ATOM 483 CD LYS A 72 5.030 66.083 56.749 1.00 60.03 C +ATOM 484 CE LYS A 72 4.280 67.083 57.646 1.00 57.27 C +ATOM 485 NZ LYS A 72 4.619 66.929 59.063 1.00 51.41 N +ATOM 486 N GLY A 73 4.772 67.959 52.221 1.00 60.88 N +ATOM 487 CA GLY A 73 5.102 69.340 51.884 1.00 62.44 C +ATOM 488 C GLY A 73 6.001 69.982 52.941 1.00 63.48 C +ATOM 489 O GLY A 73 5.898 69.677 54.133 1.00 61.49 O +ATOM 490 N GLU A 74 6.878 70.882 52.493 1.00 52.18 N +ATOM 491 CA GLU A 74 7.764 71.627 53.379 1.00 57.23 C +ATOM 492 C GLU A 74 6.966 72.511 54.338 1.00 55.19 C +ATOM 493 O GLU A 74 5.863 72.980 54.051 1.00 54.23 O +ATOM 494 CB GLU A 74 8.776 72.462 52.569 1.00 56.87 C +ATOM 495 CG GLU A 74 9.734 71.579 51.750 1.00 53.86 C +ATOM 496 CD GLU A 74 10.856 72.376 51.051 1.00 51.05 C +ATOM 497 OE1 GLU A 74 11.834 71.725 50.615 1.00 49.96 O +ATOM 498 OE2 GLU A 74 10.728 73.621 50.966 1.00 49.37 O +ATOM 499 N THR A 75 7.522 72.718 55.520 1.00 64.36 N +ATOM 500 CA THR A 75 6.918 73.641 56.491 1.00 65.42 C +ATOM 501 C THR A 75 6.957 75.058 55.915 1.00 62.91 C +ATOM 502 O THR A 75 7.993 75.492 55.422 1.00 60.18 O +ATOM 503 CB THR A 75 7.659 73.576 57.827 1.00 64.30 C +ATOM 504 OG1 THR A 75 7.649 72.253 58.315 1.00 60.75 O +ATOM 505 CG2 THR A 75 7.020 74.438 58.909 1.00 60.02 C +ATOM 506 N GLY A 76 5.832 75.734 55.972 1.00 59.05 N +ATOM 507 CA GLY A 76 5.771 77.121 55.521 1.00 59.73 C +ATOM 508 C GLY A 76 6.796 78.013 56.237 1.00 60.11 C +ATOM 509 O GLY A 76 7.151 77.738 57.384 1.00 58.65 O +ATOM 510 N PRO A 77 7.254 79.110 55.604 1.00 57.99 N +ATOM 511 CA PRO A 77 8.218 80.032 56.203 1.00 61.32 C +ATOM 512 C PRO A 77 7.640 80.668 57.476 1.00 59.06 C +ATOM 513 O PRO A 77 6.424 80.816 57.633 1.00 58.02 O +ATOM 514 CB PRO A 77 8.537 81.074 55.120 1.00 61.22 C +ATOM 515 CG PRO A 77 7.280 81.070 54.254 1.00 59.81 C +ATOM 516 CD PRO A 77 6.834 79.611 54.306 1.00 62.24 C +ATOM 517 N ALA A 78 8.520 81.104 58.394 1.00 63.09 N +ATOM 518 CA ALA A 78 8.097 81.856 59.567 1.00 65.22 C +ATOM 519 C ALA A 78 7.398 83.157 59.139 1.00 63.75 C +ATOM 520 O ALA A 78 7.816 83.819 58.192 1.00 60.47 O +ATOM 521 CB ALA A 78 9.317 82.133 60.467 1.00 63.44 C +ATOM 522 N GLY A 79 6.345 83.495 59.834 1.00 56.47 N +ATOM 523 CA GLY A 79 5.649 84.755 59.601 1.00 57.89 C +ATOM 524 C GLY A 79 6.561 85.966 59.787 1.00 58.71 C +ATOM 525 O GLY A 79 7.546 85.893 60.536 1.00 57.75 O +ATOM 526 N PRO A 80 6.254 87.097 59.130 1.00 58.15 N +ATOM 527 CA PRO A 80 7.053 88.309 59.252 1.00 61.35 C +ATOM 528 C PRO A 80 7.092 88.791 60.708 1.00 59.99 C +ATOM 529 O PRO A 80 6.149 88.597 61.485 1.00 58.98 O +ATOM 530 CB PRO A 80 6.399 89.337 58.310 1.00 60.97 C +ATOM 531 CG PRO A 80 4.949 88.876 58.239 1.00 58.93 C +ATOM 532 CD PRO A 80 5.066 87.354 58.325 1.00 60.91 C +ATOM 533 N GLN A 81 8.181 89.466 61.080 1.00 57.04 N +ATOM 534 CA GLN A 81 8.294 90.098 62.395 1.00 60.32 C +ATOM 535 C GLN A 81 7.204 91.166 62.550 1.00 58.48 C +ATOM 536 O GLN A 81 6.975 91.964 61.642 1.00 56.48 O +ATOM 537 CB GLN A 81 9.711 90.688 62.532 1.00 59.71 C +ATOM 538 CG GLN A 81 9.972 91.256 63.935 1.00 56.73 C +ATOM 539 CD GLN A 81 11.404 91.766 64.111 1.00 55.15 C +ATOM 540 OE1 GLN A 81 12.257 91.698 63.252 1.00 55.84 O +ATOM 541 NE2 GLN A 81 11.729 92.306 65.266 1.00 51.54 N +ATOM 542 N GLY A 82 6.548 91.187 63.688 1.00 58.88 N +ATOM 543 CA GLY A 82 5.557 92.208 64.000 1.00 60.35 C +ATOM 544 C GLY A 82 6.154 93.623 63.952 1.00 61.82 C +ATOM 545 O GLY A 82 7.349 93.807 64.214 1.00 60.38 O +ATOM 546 N PRO A 83 5.333 94.618 63.636 1.00 59.29 N +ATOM 547 CA PRO A 83 5.802 95.996 63.601 1.00 62.39 C +ATOM 548 C PRO A 83 6.353 96.414 64.964 1.00 61.45 C +ATOM 549 O PRO A 83 5.919 95.930 66.015 1.00 60.30 O +ATOM 550 CB PRO A 83 4.589 96.831 63.164 1.00 61.58 C +ATOM 551 CG PRO A 83 3.404 95.996 63.620 1.00 59.45 C +ATOM 552 CD PRO A 83 3.897 94.554 63.429 1.00 61.78 C +ATOM 553 N ARG A 84 7.311 97.319 64.945 1.00 59.55 N +ATOM 554 CA ARG A 84 7.814 97.919 66.186 1.00 63.39 C +ATOM 555 C ARG A 84 6.671 98.633 66.895 1.00 61.77 C +ATOM 556 O ARG A 84 5.926 99.370 66.264 1.00 59.34 O +ATOM 557 CB ARG A 84 8.977 98.864 65.844 1.00 61.83 C +ATOM 558 CG ARG A 84 9.622 99.461 67.101 1.00 57.68 C +ATOM 559 CD ARG A 84 10.800 100.355 66.720 1.00 58.49 C +ATOM 560 NE ARG A 84 11.428 100.958 67.904 1.00 57.19 N +ATOM 561 CZ ARG A 84 12.453 101.796 67.918 1.00 51.63 C +ATOM 562 NH1 ARG A 84 13.036 102.187 66.810 1.00 51.86 N +ATOM 563 NH2 ARG A 84 12.905 102.266 69.044 1.00 51.06 N +ATOM 564 N GLY A 85 6.566 98.453 68.183 1.00 57.78 N +ATOM 565 CA GLY A 85 5.592 99.175 68.993 1.00 59.48 C +ATOM 566 C GLY A 85 5.760 100.686 68.863 1.00 61.51 C +ATOM 567 O GLY A 85 6.884 101.186 68.718 1.00 59.41 O +ATOM 568 N GLU A 86 4.654 101.403 68.919 1.00 51.98 N +ATOM 569 CA GLU A 86 4.672 102.859 68.875 1.00 57.07 C +ATOM 570 C GLU A 86 5.465 103.430 70.054 1.00 55.81 C +ATOM 571 O GLU A 86 5.506 102.867 71.154 1.00 54.87 O +ATOM 572 CB GLU A 86 3.240 103.423 68.862 1.00 56.59 C +ATOM 573 CG GLU A 86 2.468 103.015 67.583 1.00 52.40 C +ATOM 574 CD GLU A 86 1.061 103.663 67.484 1.00 49.54 C +ATOM 575 OE1 GLU A 86 0.482 103.584 66.372 1.00 47.38 O +ATOM 576 OE2 GLU A 86 0.600 104.212 68.502 1.00 46.57 O +ATOM 577 N GLN A 87 6.148 104.556 69.809 1.00 58.25 N +ATOM 578 CA GLN A 87 6.854 105.264 70.879 1.00 60.18 C +ATOM 579 C GLN A 87 5.849 105.746 71.930 1.00 58.05 C +ATOM 580 O GLN A 87 4.807 106.303 71.600 1.00 55.70 O +ATOM 581 CB GLN A 87 7.654 106.430 70.261 1.00 59.43 C +ATOM 582 CG GLN A 87 8.521 107.160 71.304 1.00 56.29 C +ATOM 583 CD GLN A 87 9.404 108.252 70.707 1.00 54.66 C +ATOM 584 OE1 GLN A 87 9.482 108.472 69.511 1.00 55.76 O +ATOM 585 NE2 GLN A 87 10.139 108.975 71.522 1.00 51.53 N +ATOM 586 N GLY A 88 6.156 105.511 73.162 1.00 57.89 N +ATOM 587 CA GLY A 88 5.330 106.018 74.254 1.00 59.08 C +ATOM 588 C GLY A 88 5.162 107.543 74.180 1.00 59.51 C +ATOM 589 O GLY A 88 6.068 108.241 73.710 1.00 57.61 O +ATOM 590 N PRO A 89 4.034 108.088 74.668 1.00 56.49 N +ATOM 591 CA PRO A 89 3.794 109.523 74.655 1.00 59.49 C +ATOM 592 C PRO A 89 4.863 110.256 75.462 1.00 57.57 C +ATOM 593 O PRO A 89 5.366 109.746 76.477 1.00 56.35 O +ATOM 594 CB PRO A 89 2.387 109.715 75.233 1.00 59.49 C +ATOM 595 CG PRO A 89 2.179 108.478 76.101 1.00 57.50 C +ATOM 596 CD PRO A 89 2.948 107.388 75.338 1.00 59.95 C +ATOM 597 N GLN A 90 5.197 111.438 75.009 1.00 57.02 N +ATOM 598 CA GLN A 90 6.136 112.277 75.750 1.00 59.64 C +ATOM 599 C GLN A 90 5.602 112.564 77.158 1.00 57.76 C +ATOM 600 O GLN A 90 4.424 112.878 77.343 1.00 55.73 O +ATOM 601 CB GLN A 90 6.380 113.566 74.948 1.00 59.10 C +ATOM 602 CG GLN A 90 7.492 114.428 75.582 1.00 55.60 C +ATOM 603 CD GLN A 90 7.835 115.662 74.759 1.00 54.90 C +ATOM 604 OE1 GLN A 90 7.239 116.004 73.754 1.00 54.48 O +ATOM 605 NE2 GLN A 90 8.839 116.414 75.174 1.00 50.54 N +ATOM 606 N GLY A 91 6.478 112.501 78.160 1.00 53.63 N +ATOM 607 CA GLY A 91 6.136 112.852 79.534 1.00 55.41 C +ATOM 608 C GLY A 91 5.621 114.291 79.638 1.00 55.53 C +ATOM 609 O GLY A 91 6.112 115.194 78.958 1.00 54.01 O +ATOM 610 N LEU A 92 4.631 114.478 80.469 1.00 52.63 N +ATOM 611 CA LEU A 92 4.096 115.815 80.712 1.00 56.15 C +ATOM 612 C LEU A 92 5.176 116.732 81.310 1.00 55.10 C +ATOM 613 O LEU A 92 6.035 116.259 82.065 1.00 54.30 O +ATOM 614 CB LEU A 92 2.877 115.730 81.651 1.00 55.66 C +ATOM 615 CG LEU A 92 1.662 114.988 81.068 1.00 52.92 C +ATOM 616 CD1 LEU A 92 0.577 114.863 82.126 1.00 51.38 C +ATOM 617 CD2 LEU A 92 1.066 115.702 79.850 1.00 50.45 C +ATOM 618 N PRO A 93 5.123 118.001 81.005 1.00 57.10 N +ATOM 619 CA PRO A 93 6.038 118.954 81.618 1.00 59.13 C +ATOM 620 C PRO A 93 5.957 118.900 83.154 1.00 56.47 C +ATOM 621 O PRO A 93 4.869 118.817 83.721 1.00 55.74 O +ATOM 622 CB PRO A 93 5.628 120.334 81.095 1.00 60.21 C +ATOM 623 CG PRO A 93 4.922 120.043 79.779 1.00 57.75 C +ATOM 624 CD PRO A 93 4.267 118.705 80.025 1.00 60.78 C +ATOM 625 N GLY A 94 7.122 118.977 83.776 1.00 52.43 N +ATOM 626 CA GLY A 94 7.180 119.039 85.229 1.00 54.37 C +ATOM 627 C GLY A 94 6.360 120.215 85.775 1.00 54.54 C +ATOM 628 O GLY A 94 6.286 121.282 85.164 1.00 53.18 O +ATOM 629 N ALA A 95 5.773 120.031 86.949 1.00 48.01 N +ATOM 630 CA ALA A 95 5.034 121.085 87.626 1.00 51.30 C +ATOM 631 C ALA A 95 5.942 122.288 87.922 1.00 51.09 C +ATOM 632 O ALA A 95 7.128 122.145 88.234 1.00 50.30 O +ATOM 633 CB ALA A 95 4.396 120.509 88.900 1.00 50.35 C +ATOM 634 N ARG A 96 5.385 123.406 87.765 1.00 51.18 N +ATOM 635 CA ARG A 96 6.118 124.635 88.109 1.00 53.55 C +ATOM 636 C ARG A 96 6.434 124.645 89.596 1.00 52.21 C +ATOM 637 O ARG A 96 5.530 124.453 90.402 1.00 51.62 O +ATOM 638 CB ARG A 96 5.292 125.849 87.675 1.00 53.69 C +ATOM 639 CG ARG A 96 6.048 127.170 87.863 1.00 48.26 C +ATOM 640 CD ARG A 96 5.201 128.338 87.367 1.00 48.57 C +ATOM 641 NE ARG A 96 5.924 129.614 87.428 1.00 47.73 N +ATOM 642 CZ ARG A 96 5.483 130.783 87.050 1.00 43.23 C +ATOM 643 NH1 ARG A 96 4.267 130.944 86.583 1.00 44.64 N +ATOM 644 NH2 ARG A 96 6.231 131.842 87.131 1.00 43.70 N +ATOM 645 N GLY A 97 7.684 124.939 89.954 1.00 50.78 N +ATOM 646 CA GLY A 97 8.107 125.067 91.343 1.00 53.09 C +ATOM 647 C GLY A 97 7.285 126.125 92.099 1.00 53.70 C +ATOM 648 O GLY A 97 6.907 127.155 91.533 1.00 52.63 O +ATOM 649 N GLU A 98 7.047 125.844 93.354 1.00 45.50 N +ATOM 650 CA GLU A 98 6.368 126.789 94.229 1.00 48.00 C +ATOM 651 C GLU A 98 7.166 128.084 94.367 1.00 47.24 C +ATOM 652 O GLU A 98 8.404 128.109 94.284 1.00 47.12 O +ATOM 653 CB GLU A 98 6.072 126.158 95.599 1.00 48.13 C +ATOM 654 CG GLU A 98 5.101 124.970 95.497 1.00 44.15 C +ATOM 655 CD GLU A 98 4.620 124.443 96.853 1.00 41.96 C +ATOM 656 OE1 GLU A 98 3.578 123.736 96.857 1.00 40.20 O +ATOM 657 OE2 GLU A 98 5.282 124.756 97.869 1.00 39.93 O +ATOM 658 N ARG A 99 6.440 129.100 94.524 1.00 49.69 N +ATOM 659 CA ARG A 99 7.072 130.410 94.660 1.00 50.88 C +ATOM 660 C ARG A 99 7.816 130.502 95.975 1.00 49.38 C +ATOM 661 O ARG A 99 7.206 130.425 97.038 1.00 48.77 O +ATOM 662 CB ARG A 99 5.983 131.490 94.510 1.00 50.66 C +ATOM 663 CG ARG A 99 6.566 132.902 94.443 1.00 44.92 C +ATOM 664 CD ARG A 99 5.435 133.915 94.279 1.00 43.89 C +ATOM 665 NE ARG A 99 5.944 135.270 94.075 1.00 42.68 N +ATOM 666 CZ ARG A 99 5.238 136.381 93.991 1.00 38.48 C +ATOM 667 NH1 ARG A 99 3.932 136.369 94.090 1.00 40.34 N +ATOM 668 NH2 ARG A 99 5.814 137.532 93.807 1.00 39.11 N +ATOM 669 N GLY A 100 9.126 130.743 95.934 1.00 47.95 N +ATOM 670 CA GLY A 100 9.967 131.010 97.096 1.00 49.33 C +ATOM 671 C GLY A 100 9.645 132.374 97.738 1.00 49.43 C +ATOM 672 O GLY A 100 9.143 133.292 97.074 1.00 47.93 O +ATOM 673 N PHE A 101 9.991 132.531 99.061 1.00 45.37 N +ATOM 674 CA PHE A 101 9.917 133.790 99.792 1.00 48.84 C +ATOM 675 C PHE A 101 10.875 134.847 99.194 1.00 48.27 C +ATOM 676 O PHE A 101 11.841 134.486 98.525 1.00 48.08 O +ATOM 677 CB PHE A 101 10.179 133.511 101.287 1.00 48.79 C +ATOM 678 CG PHE A 101 9.025 132.822 101.988 1.00 46.09 C +ATOM 679 CD1 PHE A 101 7.974 133.582 102.537 1.00 43.24 C +ATOM 680 CD2 PHE A 101 8.988 131.417 102.092 1.00 41.41 C +ATOM 681 CE1 PHE A 101 6.895 132.954 103.175 1.00 38.12 C +ATOM 682 CE2 PHE A 101 7.893 130.784 102.734 1.00 39.80 C +ATOM 683 CZ PHE A 101 6.856 131.553 103.280 1.00 39.66 C +ATOM 684 N PRO A 102 10.602 136.124 99.374 1.00 48.78 N +ATOM 685 CA PRO A 102 11.002 137.175 98.438 1.00 52.03 C +ATOM 686 C PRO A 102 12.520 137.439 98.387 1.00 50.76 C +ATOM 687 O PRO A 102 13.013 138.287 99.110 1.00 50.24 O +ATOM 688 CB PRO A 102 10.203 138.406 98.858 1.00 52.29 C +ATOM 689 CG PRO A 102 10.012 138.232 100.342 1.00 48.81 C +ATOM 690 CD PRO A 102 9.905 136.718 100.498 1.00 50.48 C +ATOM 691 N ALA A 103 13.192 136.693 97.539 1.00 48.08 N +ATOM 692 CA ALA A 103 14.494 137.058 96.994 1.00 50.94 C +ATOM 693 C ALA A 103 14.764 136.416 95.617 1.00 49.67 C +ATOM 694 O ALA A 103 15.379 137.061 94.767 1.00 48.35 O +ATOM 695 CB ALA A 103 15.608 136.701 97.974 1.00 50.55 C +ATOM 696 N GLU A 104 14.275 135.265 95.378 1.00 46.65 N +ATOM 697 CA GLU A 104 14.572 134.591 94.112 1.00 50.24 C +ATOM 698 C GLU A 104 13.337 133.916 93.512 1.00 49.41 C +ATOM 699 O GLU A 104 12.491 133.355 94.199 1.00 48.66 O +ATOM 700 CB GLU A 104 15.742 133.593 94.281 1.00 49.32 C +ATOM 701 CG GLU A 104 17.070 134.314 94.589 1.00 44.06 C +ATOM 702 CD GLU A 104 18.294 133.383 94.599 1.00 41.54 C +ATOM 703 OE1 GLU A 104 19.425 133.939 94.595 1.00 39.08 O +ATOM 704 OE2 GLU A 104 18.101 132.156 94.632 1.00 39.72 O +ATOM 705 N ARG A 105 13.229 134.011 92.218 1.00 50.77 N +ATOM 706 CA ARG A 105 12.184 133.310 91.462 1.00 52.27 C +ATOM 707 C ARG A 105 12.508 131.831 91.433 1.00 50.68 C +ATOM 708 O ARG A 105 13.612 131.470 91.050 1.00 49.82 O +ATOM 709 CB ARG A 105 12.092 133.921 90.049 1.00 52.23 C +ATOM 710 CG ARG A 105 10.907 133.390 89.230 1.00 47.04 C +ATOM 711 CD ARG A 105 10.883 134.057 87.859 1.00 46.65 C +ATOM 712 NE ARG A 105 9.680 133.733 87.086 1.00 45.11 N +ATOM 713 CZ ARG A 105 9.410 134.105 85.847 1.00 40.99 C +ATOM 714 NH1 ARG A 105 10.242 134.848 85.150 1.00 41.87 N +ATOM 715 NH2 ARG A 105 8.290 133.744 85.260 1.00 40.21 N +ATOM 716 N GLY A 106 11.558 131.019 91.822 1.00 49.30 N +ATOM 717 CA GLY A 106 11.738 129.570 91.786 1.00 51.21 C +ATOM 718 C GLY A 106 12.130 129.086 90.393 1.00 50.95 C +ATOM 719 O GLY A 106 11.613 129.578 89.383 1.00 49.81 O +ATOM 720 N VAL A 107 13.068 128.171 90.347 1.00 50.47 N +ATOM 721 CA VAL A 107 13.497 127.536 89.100 1.00 54.57 C +ATOM 722 C VAL A 107 12.366 126.680 88.539 1.00 53.09 C +ATOM 723 O VAL A 107 11.591 126.056 89.271 1.00 52.53 O +ATOM 724 CB VAL A 107 14.803 126.743 89.279 1.00 54.38 C +ATOM 725 CG1 VAL A 107 15.987 127.687 89.473 1.00 50.72 C +ATOM 726 CG2 VAL A 107 14.770 125.771 90.464 1.00 51.94 C +ATOM 727 N GLN A 108 12.255 126.686 87.244 1.00 52.32 N +ATOM 728 CA GLN A 108 11.303 125.820 86.570 1.00 55.24 C +ATOM 729 C GLN A 108 11.673 124.368 86.802 1.00 53.68 C +ATOM 730 O GLN A 108 12.855 124.010 86.736 1.00 52.40 O +ATOM 731 CB GLN A 108 11.272 126.204 85.071 1.00 54.68 C +ATOM 732 CG GLN A 108 10.242 125.393 84.266 1.00 50.64 C +ATOM 733 CD GLN A 108 10.120 125.873 82.819 1.00 49.21 C +ATOM 734 OE1 GLN A 108 10.704 126.845 82.380 1.00 49.98 O +ATOM 735 NE2 GLN A 108 9.309 125.205 82.016 1.00 46.76 N +ATOM 736 N GLY A 109 10.716 123.558 87.109 1.00 52.69 N +ATOM 737 CA GLY A 109 10.937 122.125 87.242 1.00 54.38 C +ATOM 738 C GLY A 109 11.515 121.548 85.944 1.00 53.71 C +ATOM 739 O GLY A 109 11.200 122.050 84.856 1.00 52.48 O +ATOM 740 N PRO A 110 12.362 120.528 86.022 1.00 55.16 N +ATOM 741 CA PRO A 110 12.947 119.899 84.845 1.00 58.09 C +ATOM 742 C PRO A 110 11.843 119.336 83.936 1.00 55.32 C +ATOM 743 O PRO A 110 10.780 118.945 84.426 1.00 54.77 O +ATOM 744 CB PRO A 110 13.881 118.805 85.375 1.00 58.58 C +ATOM 745 CG PRO A 110 13.277 118.460 86.718 1.00 57.48 C +ATOM 746 CD PRO A 110 12.731 119.788 87.217 1.00 59.23 C +ATOM 747 N PRO A 111 12.090 119.284 82.646 1.00 56.39 N +ATOM 748 CA PRO A 111 11.187 118.592 81.737 1.00 58.46 C +ATOM 749 C PRO A 111 10.939 117.156 82.206 1.00 54.87 C +ATOM 750 O PRO A 111 11.833 116.509 82.757 1.00 54.49 O +ATOM 751 CB PRO A 111 11.862 118.622 80.359 1.00 60.26 C +ATOM 752 CG PRO A 111 12.811 119.805 80.439 1.00 57.86 C +ATOM 753 CD PRO A 111 13.229 119.829 81.896 1.00 61.51 C +ATOM 754 N GLY A 112 9.760 116.706 82.013 1.00 54.82 N +ATOM 755 CA GLY A 112 9.458 115.302 82.216 1.00 56.82 C +ATOM 756 C GLY A 112 10.381 114.427 81.360 1.00 57.56 C +ATOM 757 O GLY A 112 10.780 114.826 80.266 1.00 55.52 O +ATOM 758 N LYS A 113 10.755 113.281 81.852 1.00 56.79 N +ATOM 759 CA LYS A 113 11.564 112.330 81.095 1.00 61.63 C +ATOM 760 C LYS A 113 10.823 111.910 79.834 1.00 60.38 C +ATOM 761 O LYS A 113 9.604 111.770 79.840 1.00 59.17 O +ATOM 762 CB LYS A 113 11.896 111.093 81.947 1.00 59.96 C +ATOM 763 CG LYS A 113 12.766 111.412 83.169 1.00 55.78 C +ATOM 764 CD LYS A 113 13.082 110.122 83.921 1.00 54.64 C +ATOM 765 CE LYS A 113 13.923 110.406 85.185 1.00 50.66 C +ATOM 766 NZ LYS A 113 14.177 109.163 85.938 1.00 45.90 N +ATOM 767 N ASP A 114 11.573 111.701 78.792 1.00 60.32 N +ATOM 768 CA ASP A 114 11.013 111.113 77.585 1.00 63.07 C +ATOM 769 C ASP A 114 10.356 109.775 77.901 1.00 61.53 C +ATOM 770 O ASP A 114 10.850 108.993 78.726 1.00 58.50 O +ATOM 771 CB ASP A 114 12.093 110.947 76.506 1.00 60.97 C +ATOM 772 CG ASP A 114 12.628 112.273 75.966 1.00 57.63 C +ATOM 773 OD1 ASP A 114 11.887 113.274 76.020 1.00 55.45 O +ATOM 774 OD2 ASP A 114 13.784 112.284 75.499 1.00 54.77 O +ATOM 775 N GLY A 115 9.256 109.538 77.295 1.00 56.49 N +ATOM 776 CA GLY A 115 8.589 108.249 77.403 1.00 57.49 C +ATOM 777 C GLY A 115 9.509 107.136 76.905 1.00 57.74 C +ATOM 778 O GLY A 115 10.242 107.301 75.931 1.00 55.62 O +ATOM 779 N GLU A 116 9.461 106.022 77.569 1.00 51.15 N +ATOM 780 CA GLU A 116 10.223 104.853 77.137 1.00 54.01 C +ATOM 781 C GLU A 116 9.785 104.407 75.741 1.00 52.11 C +ATOM 782 O GLU A 116 8.618 104.503 75.355 1.00 51.75 O +ATOM 783 CB GLU A 116 10.110 103.714 78.160 1.00 54.14 C +ATOM 784 CG GLU A 116 10.763 104.081 79.501 1.00 50.40 C +ATOM 785 CD GLU A 116 10.791 102.947 80.536 1.00 48.49 C +ATOM 786 OE1 GLU A 116 11.525 103.122 81.542 1.00 47.30 O +ATOM 787 OE2 GLU A 116 10.094 101.923 80.333 1.00 46.76 O +ATOM 788 N ALA A 117 10.746 103.945 74.952 1.00 59.48 N +ATOM 789 CA ALA A 117 10.423 103.384 73.648 1.00 60.53 C +ATOM 790 C ALA A 117 9.479 102.186 73.800 1.00 58.88 C +ATOM 791 O ALA A 117 9.667 101.351 74.692 1.00 56.55 O +ATOM 792 CB ALA A 117 11.725 103.007 72.922 1.00 59.46 C +ATOM 793 N GLY A 118 8.504 102.146 72.980 1.00 53.66 N +ATOM 794 CA GLY A 118 7.591 101.014 72.959 1.00 55.13 C +ATOM 795 C GLY A 118 8.347 99.694 72.782 1.00 55.66 C +ATOM 796 O GLY A 118 9.324 99.618 72.031 1.00 54.16 O +ATOM 797 N ALA A 119 7.908 98.682 73.471 1.00 53.52 N +ATOM 798 CA ALA A 119 8.485 97.355 73.334 1.00 57.46 C +ATOM 799 C ALA A 119 8.375 96.864 71.877 1.00 56.44 C +ATOM 800 O ALA A 119 7.421 97.180 71.155 1.00 55.31 O +ATOM 801 CB ALA A 119 7.795 96.403 74.324 1.00 56.90 C +ATOM 802 N GLN A 120 9.350 96.088 71.425 1.00 53.00 N +ATOM 803 CA GLN A 120 9.286 95.444 70.111 1.00 56.13 C +ATOM 804 C GLN A 120 8.077 94.517 70.044 1.00 54.89 C +ATOM 805 O GLN A 120 7.810 93.754 70.981 1.00 53.55 O +ATOM 806 CB GLN A 120 10.613 94.705 69.857 1.00 56.18 C +ATOM 807 CG GLN A 120 10.675 94.073 68.465 1.00 52.76 C +ATOM 808 CD GLN A 120 12.050 93.461 68.164 1.00 51.70 C +ATOM 809 OE1 GLN A 120 12.976 93.491 68.948 1.00 52.89 O +ATOM 810 NE2 GLN A 120 12.240 92.891 66.980 1.00 49.07 N +ATOM 811 N GLY A 121 7.338 94.581 68.978 1.00 53.45 N +ATOM 812 CA GLY A 121 6.213 93.686 68.752 1.00 55.68 C +ATOM 813 C GLY A 121 6.651 92.221 68.763 1.00 56.04 C +ATOM 814 O GLY A 121 7.782 91.911 68.384 1.00 54.92 O +ATOM 815 N PRO A 122 5.788 91.331 69.184 1.00 55.09 N +ATOM 816 CA PRO A 122 6.092 89.909 69.180 1.00 57.80 C +ATOM 817 C PRO A 122 6.376 89.415 67.749 1.00 55.75 C +ATOM 818 O PRO A 122 5.901 89.990 66.765 1.00 55.17 O +ATOM 819 CB PRO A 122 4.865 89.222 69.794 1.00 58.09 C +ATOM 820 CG PRO A 122 3.721 90.190 69.488 1.00 56.67 C +ATOM 821 CD PRO A 122 4.406 91.558 69.577 1.00 59.36 C +ATOM 822 N ALA A 123 7.144 88.375 67.638 1.00 58.78 N +ATOM 823 CA ALA A 123 7.323 87.716 66.348 1.00 60.31 C +ATOM 824 C ALA A 123 5.982 87.217 65.796 1.00 58.89 C +ATOM 825 O ALA A 123 5.131 86.745 66.549 1.00 56.47 O +ATOM 826 CB ALA A 123 8.339 86.572 66.492 1.00 59.28 C +ATOM 827 N GLY A 124 5.809 87.329 64.511 1.00 53.36 N +ATOM 828 CA GLY A 124 4.627 86.804 63.843 1.00 55.05 C +ATOM 829 C GLY A 124 4.484 85.289 64.050 1.00 55.10 C +ATOM 830 O GLY A 124 5.476 84.593 64.262 1.00 54.09 O +ATOM 831 N PRO A 125 3.276 84.808 64.005 1.00 54.04 N +ATOM 832 CA PRO A 125 3.043 83.381 64.144 1.00 57.00 C +ATOM 833 C PRO A 125 3.759 82.602 63.031 1.00 55.16 C +ATOM 834 O PRO A 125 3.987 83.109 61.929 1.00 54.74 O +ATOM 835 CB PRO A 125 1.521 83.204 64.090 1.00 57.12 C +ATOM 836 CG PRO A 125 1.059 84.404 63.274 1.00 55.24 C +ATOM 837 CD PRO A 125 2.044 85.499 63.675 1.00 56.89 C +ATOM 838 N MET A 126 4.105 81.344 63.325 1.00 57.65 N +ATOM 839 CA MET A 126 4.645 80.440 62.313 1.00 59.83 C +ATOM 840 C MET A 126 3.615 80.221 61.206 1.00 59.57 C +ATOM 841 O MET A 126 2.429 80.052 61.477 1.00 56.83 O +ATOM 842 CB MET A 126 5.063 79.121 62.994 1.00 58.29 C +ATOM 843 CG MET A 126 5.663 78.109 62.020 1.00 53.61 C +ATOM 844 SD MET A 126 6.227 76.565 62.808 1.00 51.28 S +ATOM 845 CE MET A 126 7.759 77.128 63.578 1.00 49.56 C +ATOM 846 N GLY A 127 4.049 80.219 59.961 1.00 53.06 N +ATOM 847 CA GLY A 127 3.205 79.907 58.823 1.00 54.77 C +ATOM 848 C GLY A 127 2.584 78.505 58.933 1.00 55.11 C +ATOM 849 O GLY A 127 3.152 77.632 59.598 1.00 54.11 O +ATOM 850 N PRO A 128 1.442 78.302 58.324 1.00 55.77 N +ATOM 851 CA PRO A 128 0.812 76.992 58.322 1.00 59.22 C +ATOM 852 C PRO A 128 1.743 75.944 57.696 1.00 57.96 C +ATOM 853 O PRO A 128 2.592 76.251 56.855 1.00 57.18 O +ATOM 854 CB PRO A 128 -0.499 77.154 57.532 1.00 58.75 C +ATOM 855 CG PRO A 128 -0.205 78.333 56.608 1.00 56.48 C +ATOM 856 CD PRO A 128 0.721 79.219 57.449 1.00 57.87 C +ATOM 857 N ALA A 129 1.588 74.693 58.100 1.00 61.79 N +ATOM 858 CA ALA A 129 2.307 73.598 57.459 1.00 64.80 C +ATOM 859 C ALA A 129 1.897 73.498 55.981 1.00 64.66 C +ATOM 860 O ALA A 129 0.727 73.655 55.657 1.00 62.12 O +ATOM 861 CB ALA A 129 2.035 72.289 58.215 1.00 62.16 C +ATOM 862 N GLY A 130 2.856 73.213 55.132 1.00 56.58 N +ATOM 863 CA GLY A 130 2.583 72.974 53.722 1.00 59.13 C +ATOM 864 C GLY A 130 1.617 71.810 53.521 1.00 60.67 C +ATOM 865 O GLY A 130 1.551 70.873 54.332 1.00 58.94 O +ATOM 866 N GLU A 131 0.861 71.892 52.446 1.00 54.40 N +ATOM 867 CA GLU A 131 -0.078 70.827 52.086 1.00 60.60 C +ATOM 868 C GLU A 131 0.653 69.499 51.856 1.00 59.33 C +ATOM 869 O GLU A 131 1.826 69.444 51.464 1.00 58.03 O +ATOM 870 CB GLU A 131 -0.929 71.228 50.870 1.00 58.72 C +ATOM 871 CG GLU A 131 -1.839 72.431 51.179 1.00 53.54 C +ATOM 872 CD GLU A 131 -2.836 72.765 50.060 1.00 49.70 C +ATOM 873 OE1 GLU A 131 -3.796 73.521 50.371 1.00 47.58 O +ATOM 874 OE2 GLU A 131 -2.639 72.271 48.934 1.00 46.39 O +ATOM 875 N ARG A 132 -0.046 68.379 52.136 1.00 61.59 N +ATOM 876 CA ARG A 132 0.500 67.053 51.878 1.00 65.98 C +ATOM 877 C ARG A 132 0.611 66.850 50.376 1.00 64.75 C +ATOM 878 O ARG A 132 -0.353 67.103 49.670 1.00 61.39 O +ATOM 879 CB ARG A 132 -0.394 65.995 52.542 1.00 63.00 C +ATOM 880 CG ARG A 132 0.170 64.575 52.373 1.00 57.39 C +ATOM 881 CD ARG A 132 -0.742 63.574 53.072 1.00 56.73 C +ATOM 882 NE ARG A 132 -0.222 62.199 52.967 1.00 54.71 N +ATOM 883 CZ ARG A 132 -0.776 61.112 53.458 1.00 49.09 C +ATOM 884 NH1 ARG A 132 -1.909 61.148 54.111 1.00 49.76 N +ATOM 885 NH2 ARG A 132 -0.201 59.949 53.300 1.00 48.66 N +ATOM 886 N GLY A 133 1.734 66.359 49.922 1.00 60.66 N +ATOM 887 CA GLY A 133 1.906 66.026 48.513 1.00 62.06 C +ATOM 888 C GLY A 133 0.835 65.052 48.019 1.00 63.13 C +ATOM 889 O GLY A 133 0.355 64.197 48.770 1.00 60.99 O +ATOM 890 N GLU A 134 0.457 65.214 46.761 1.00 55.53 N +ATOM 891 CA GLU A 134 -0.522 64.340 46.122 1.00 61.91 C +ATOM 892 C GLU A 134 -0.055 62.883 46.130 1.00 60.49 C +ATOM 893 O GLU A 134 1.140 62.565 46.115 1.00 59.01 O +ATOM 894 CB GLU A 134 -0.839 64.808 44.690 1.00 59.91 C +ATOM 895 CG GLU A 134 -1.529 66.188 44.681 1.00 55.27 C +ATOM 896 CD GLU A 134 -2.021 66.616 43.282 1.00 51.87 C +ATOM 897 OE1 GLU A 134 -2.861 67.559 43.240 1.00 49.69 O +ATOM 898 OE2 GLU A 134 -1.572 66.007 42.290 1.00 48.76 O +ATOM 899 N LYS A 135 -1.033 61.968 46.207 1.00 66.04 N +ATOM 900 CA LYS A 135 -0.741 60.537 46.151 1.00 69.98 C +ATOM 901 C LYS A 135 -0.240 60.201 44.745 1.00 68.77 C +ATOM 902 O LYS A 135 -0.857 60.595 43.771 1.00 66.65 O +ATOM 903 CB LYS A 135 -2.013 59.758 46.514 1.00 65.87 C +ATOM 904 CG LYS A 135 -1.766 58.243 46.566 1.00 60.55 C +ATOM 905 CD LYS A 135 -3.056 57.503 46.932 1.00 59.67 C +ATOM 906 CE LYS A 135 -2.807 55.998 46.923 1.00 56.77 C +ATOM 907 NZ LYS A 135 -4.046 55.234 47.161 1.00 51.21 N +ATOM 908 N GLY A 136 0.821 59.452 44.661 1.00 62.68 N +ATOM 909 CA GLY A 136 1.311 58.976 43.377 1.00 63.04 C +ATOM 910 C GLY A 136 0.243 58.181 42.619 1.00 63.97 C +ATOM 911 O GLY A 136 -0.554 57.458 43.219 1.00 61.42 O +ATOM 912 N GLU A 137 0.239 58.322 41.300 1.00 56.03 N +ATOM 913 CA GLU A 137 -0.680 57.592 40.432 1.00 61.85 C +ATOM 914 C GLU A 137 -0.485 56.073 40.562 1.00 60.09 C +ATOM 915 O GLU A 137 0.645 55.596 40.759 1.00 58.73 O +ATOM 916 CB GLU A 137 -0.546 58.027 38.973 1.00 60.32 C +ATOM 917 CG GLU A 137 -0.981 59.490 38.745 1.00 56.25 C +ATOM 918 CD GLU A 137 -1.019 59.880 37.252 1.00 52.84 C +ATOM 919 OE1 GLU A 137 -1.694 60.887 36.945 1.00 50.68 O +ATOM 920 OE2 GLU A 137 -0.399 59.162 36.434 1.00 49.88 O +ATOM 921 N PRO A 138 -1.566 55.286 40.467 1.00 65.18 N +ATOM 922 CA PRO A 138 -1.445 53.840 40.404 1.00 67.95 C +ATOM 923 C PRO A 138 -0.554 53.417 39.230 1.00 66.25 C +ATOM 924 O PRO A 138 -0.654 53.963 38.134 1.00 63.76 O +ATOM 925 CB PRO A 138 -2.869 53.295 40.246 1.00 67.16 C +ATOM 926 CG PRO A 138 -3.747 54.406 40.790 1.00 63.42 C +ATOM 927 CD PRO A 138 -2.979 55.671 40.434 1.00 67.15 C +ATOM 928 N GLY A 139 0.269 52.410 39.448 1.00 61.88 N +ATOM 929 CA GLY A 139 1.052 51.829 38.361 1.00 62.81 C +ATOM 930 C GLY A 139 0.155 51.288 37.248 1.00 63.05 C +ATOM 931 O GLY A 139 -0.933 50.761 37.491 1.00 61.12 O +ATOM 932 N THR A 140 0.612 51.399 36.010 1.00 58.12 N +ATOM 933 CA THR A 140 -0.118 50.879 34.850 1.00 61.30 C +ATOM 934 C THR A 140 -0.261 49.355 34.936 1.00 58.61 C +ATOM 935 O THR A 140 0.628 48.645 35.410 1.00 56.69 O +ATOM 936 CB THR A 140 0.538 51.282 33.525 1.00 60.61 C +ATOM 937 OG1 THR A 140 1.893 50.914 33.511 1.00 57.85 O +ATOM 938 CG2 THR A 140 0.483 52.790 33.309 1.00 58.52 C +ATOM 939 N GLN A 141 -1.415 48.863 34.495 1.00 65.71 N +ATOM 940 CA GLN A 141 -1.630 47.419 34.427 1.00 69.05 C +ATOM 941 C GLN A 141 -0.642 46.791 33.442 1.00 66.84 C +ATOM 942 O GLN A 141 -0.436 47.310 32.346 1.00 62.59 O +ATOM 943 CB GLN A 141 -3.091 47.144 34.043 1.00 65.84 C +ATOM 944 CG GLN A 141 -3.429 45.637 34.075 1.00 62.26 C +ATOM 945 CD GLN A 141 -4.907 45.344 33.799 1.00 60.14 C +ATOM 946 OE1 GLN A 141 -5.725 46.208 33.550 1.00 58.27 O +ATOM 947 NE2 GLN A 141 -5.298 44.092 33.826 1.00 54.49 N +ATOM 948 N GLY A 142 -0.048 45.656 33.819 1.00 62.39 N +ATOM 949 CA GLY A 142 0.826 44.909 32.925 1.00 62.97 C +ATOM 950 C GLY A 142 0.103 44.485 31.639 1.00 63.47 C +ATOM 951 O GLY A 142 -1.089 44.159 31.660 1.00 61.25 O +ATOM 952 N ALA A 143 0.827 44.482 30.538 1.00 61.55 N +ATOM 953 CA ALA A 143 0.286 44.033 29.262 1.00 65.32 C +ATOM 954 C ALA A 143 -0.199 42.576 29.368 1.00 64.37 C +ATOM 955 O ALA A 143 0.386 41.745 30.072 1.00 62.12 O +ATOM 956 CB ALA A 143 1.340 44.221 28.161 1.00 62.73 C +ATOM 957 N LYS A 144 -1.289 42.264 28.641 1.00 68.74 N +ATOM 958 CA LYS A 144 -1.786 40.894 28.545 1.00 73.11 C +ATOM 959 C LYS A 144 -0.735 40.033 27.838 1.00 71.50 C +ATOM 960 O LYS A 144 -0.224 40.439 26.804 1.00 68.28 O +ATOM 961 CB LYS A 144 -3.124 40.906 27.795 1.00 68.35 C +ATOM 962 CG LYS A 144 -3.770 39.517 27.720 1.00 62.39 C +ATOM 963 CD LYS A 144 -5.142 39.600 27.052 1.00 61.86 C +ATOM 964 CE LYS A 144 -5.756 38.202 27.010 1.00 58.26 C +ATOM 965 NZ LYS A 144 -7.134 38.219 26.430 1.00 52.43 N +ATOM 966 N GLY A 145 -0.476 38.855 28.382 1.00 63.46 N +ATOM 967 CA GLY A 145 0.434 37.915 27.741 1.00 64.99 C +ATOM 968 C GLY A 145 -0.028 37.521 26.338 1.00 66.71 C +ATOM 969 O GLY A 145 -1.230 37.429 26.071 1.00 64.02 O +ATOM 970 N ASP A 146 0.925 37.279 25.453 1.00 62.65 N +ATOM 971 CA ASP A 146 0.643 36.849 24.092 1.00 67.23 C +ATOM 972 C ASP A 146 -0.094 35.511 24.072 1.00 66.02 C +ATOM 973 O ASP A 146 0.031 34.659 24.955 1.00 63.73 O +ATOM 974 CB ASP A 146 1.939 36.786 23.258 1.00 63.71 C +ATOM 975 CG ASP A 146 2.572 38.163 23.035 1.00 60.46 C +ATOM 976 OD1 ASP A 146 1.794 39.125 22.825 1.00 57.94 O +ATOM 977 OD2 ASP A 146 3.814 38.236 23.076 1.00 55.38 O +ATOM 978 N ARG A 147 -0.909 35.325 23.025 1.00 67.71 N +ATOM 979 CA ARG A 147 -1.610 34.060 22.814 1.00 72.12 C +ATOM 980 C ARG A 147 -0.585 32.980 22.482 1.00 70.13 C +ATOM 981 O ARG A 147 0.190 33.161 21.555 1.00 65.62 O +ATOM 982 CB ARG A 147 -2.640 34.247 21.690 1.00 67.82 C +ATOM 983 CG ARG A 147 -3.396 32.952 21.368 1.00 62.59 C +ATOM 984 CD ARG A 147 -4.406 33.221 20.259 1.00 62.48 C +ATOM 985 NE ARG A 147 -5.115 31.992 19.873 1.00 59.10 N +ATOM 986 CZ ARG A 147 -6.150 31.895 19.051 1.00 53.82 C +ATOM 987 NH1 ARG A 147 -6.678 32.950 18.502 1.00 53.71 N +ATOM 988 NH2 ARG A 147 -6.674 30.729 18.771 1.00 51.82 N +ATOM 989 N GLY A 148 -0.672 31.852 23.172 1.00 65.75 N +ATOM 990 CA GLY A 148 0.154 30.701 22.846 1.00 66.68 C +ATOM 991 C GLY A 148 -0.013 30.261 21.387 1.00 68.11 C +ATOM 992 O GLY A 148 -1.110 30.334 20.829 1.00 65.42 O +ATOM 993 N GLU A 149 1.078 29.814 20.773 1.00 58.55 N +ATOM 994 CA GLU A 149 1.075 29.317 19.403 1.00 63.74 C +ATOM 995 C GLU A 149 0.172 28.080 19.271 1.00 61.77 C +ATOM 996 O GLU A 149 -0.010 27.285 20.205 1.00 59.92 O +ATOM 997 CB GLU A 149 2.497 29.007 18.919 1.00 61.81 C +ATOM 998 CG GLU A 149 3.374 30.286 18.835 1.00 58.04 C +ATOM 999 CD GLU A 149 4.750 30.032 18.196 1.00 55.56 C +ATOM 1000 OE1 GLU A 149 5.388 31.045 17.816 1.00 53.76 O +ATOM 1001 OE2 GLU A 149 5.135 28.851 18.076 1.00 52.65 O +ATOM 1002 N THR A 150 -0.435 27.938 18.095 1.00 73.38 N +ATOM 1003 CA THR A 150 -1.226 26.743 17.800 1.00 74.10 C +ATOM 1004 C THR A 150 -0.279 25.556 17.679 1.00 72.01 C +ATOM 1005 O THR A 150 0.716 25.643 16.963 1.00 67.81 O +ATOM 1006 CB THR A 150 -2.031 26.919 16.504 1.00 71.17 C +ATOM 1007 OG1 THR A 150 -2.865 28.056 16.615 1.00 66.65 O +ATOM 1008 CG2 THR A 150 -2.945 25.743 16.206 1.00 66.56 C +ATOM 1009 N GLY A 151 -0.612 24.454 18.342 1.00 65.15 N +ATOM 1010 CA GLY A 151 0.177 23.235 18.239 1.00 66.42 C +ATOM 1011 C GLY A 151 0.328 22.759 16.782 1.00 67.73 C +ATOM 1012 O GLY A 151 -0.548 23.006 15.951 1.00 65.87 O +ATOM 1013 N PRO A 152 1.432 22.072 16.467 1.00 63.45 N +ATOM 1014 CA PRO A 152 1.661 21.566 15.120 1.00 67.10 C +ATOM 1015 C PRO A 152 0.541 20.613 14.698 1.00 65.33 C +ATOM 1016 O PRO A 152 -0.055 19.901 15.511 1.00 63.66 O +ATOM 1017 CB PRO A 152 3.031 20.885 15.157 1.00 65.84 C +ATOM 1018 CG PRO A 152 3.190 20.486 16.620 1.00 63.70 C +ATOM 1019 CD PRO A 152 2.475 21.620 17.364 1.00 65.39 C +ATOM 1020 N VAL A 153 0.258 20.578 13.392 1.00 71.80 N +ATOM 1021 CA VAL A 153 -0.693 19.615 12.829 1.00 74.44 C +ATOM 1022 C VAL A 153 -0.130 18.209 13.029 1.00 73.70 C +ATOM 1023 O VAL A 153 1.037 17.968 12.720 1.00 70.28 O +ATOM 1024 CB VAL A 153 -0.969 19.910 11.347 1.00 70.54 C +ATOM 1025 CG1 VAL A 153 -1.927 18.891 10.722 1.00 63.79 C +ATOM 1026 CG2 VAL A 153 -1.603 21.295 11.172 1.00 65.72 C +ATOM 1027 N GLY A 154 -0.963 17.289 13.496 1.00 65.09 N +ATOM 1028 CA GLY A 154 -0.569 15.897 13.647 1.00 66.92 C +ATOM 1029 C GLY A 154 -0.074 15.280 12.334 1.00 69.21 C +ATOM 1030 O GLY A 154 -0.492 15.694 11.247 1.00 67.85 O +ATOM 1031 N PRO A 155 0.813 14.280 12.413 1.00 65.19 N +ATOM 1032 CA PRO A 155 1.336 13.620 11.225 1.00 68.99 C +ATOM 1033 C PRO A 155 0.200 13.026 10.391 1.00 68.18 C +ATOM 1034 O PRO A 155 -0.863 12.656 10.896 1.00 65.78 O +ATOM 1035 CB PRO A 155 2.315 12.559 11.735 1.00 67.06 C +ATOM 1036 CG PRO A 155 1.816 12.255 13.147 1.00 64.59 C +ATOM 1037 CD PRO A 155 1.282 13.611 13.612 1.00 66.19 C +ATOM 1038 N ARG A 156 0.417 12.945 9.066 1.00 66.67 N +ATOM 1039 CA ARG A 156 -0.531 12.277 8.171 1.00 72.06 C +ATOM 1040 C ARG A 156 -0.609 10.802 8.559 1.00 69.35 C +ATOM 1041 O ARG A 156 0.425 10.181 8.754 1.00 65.37 O +ATOM 1042 CB ARG A 156 -0.087 12.469 6.720 1.00 68.80 C +ATOM 1043 CG ARG A 156 -1.093 11.885 5.723 1.00 64.40 C +ATOM 1044 CD ARG A 156 -0.632 12.154 4.295 1.00 63.62 C +ATOM 1045 NE ARG A 156 -1.598 11.641 3.313 1.00 60.50 N +ATOM 1046 CZ ARG A 156 -1.526 11.764 1.999 1.00 54.98 C +ATOM 1047 NH1 ARG A 156 -0.525 12.374 1.430 1.00 54.44 N +ATOM 1048 NH2 ARG A 156 -2.450 11.267 1.237 1.00 52.68 N +ATOM 1049 N GLY A 157 -1.833 10.256 8.616 1.00 65.46 N +ATOM 1050 CA GLY A 157 -2.031 8.835 8.859 1.00 66.86 C +ATOM 1051 C GLY A 157 -1.288 7.969 7.845 1.00 69.32 C +ATOM 1052 O GLY A 157 -1.117 8.358 6.684 1.00 66.77 O +ATOM 1053 N GLU A 158 -0.833 6.814 8.304 1.00 61.72 N +ATOM 1054 CA GLU A 158 -0.149 5.841 7.451 1.00 67.00 C +ATOM 1055 C GLU A 158 -1.054 5.395 6.304 1.00 65.20 C +ATOM 1056 O GLU A 158 -2.287 5.401 6.392 1.00 63.09 O +ATOM 1057 CB GLU A 158 0.344 4.643 8.276 1.00 64.38 C +ATOM 1058 CG GLU A 158 1.418 5.069 9.298 1.00 60.33 C +ATOM 1059 CD GLU A 158 2.034 3.893 10.071 1.00 56.90 C +ATOM 1060 OE1 GLU A 158 3.068 4.145 10.726 1.00 54.04 O +ATOM 1061 OE2 GLU A 158 1.465 2.787 10.003 1.00 53.68 O +ATOM 1062 N ARG A 159 -0.425 5.052 5.172 1.00 70.69 N +ATOM 1063 CA ARG A 159 -1.158 4.517 4.022 1.00 74.07 C +ATOM 1064 C ARG A 159 -1.760 3.175 4.413 1.00 71.79 C +ATOM 1065 O ARG A 159 -1.053 2.341 4.970 1.00 67.09 O +ATOM 1066 CB ARG A 159 -0.212 4.406 2.815 1.00 70.34 C +ATOM 1067 CG ARG A 159 -0.956 3.978 1.537 1.00 65.73 C +ATOM 1068 CD ARG A 159 0.029 3.906 0.369 1.00 65.18 C +ATOM 1069 NE ARG A 159 -0.654 3.569 -0.893 1.00 62.03 N +ATOM 1070 CZ ARG A 159 -0.089 3.424 -2.074 1.00 57.32 C +ATOM 1071 NH1 ARG A 159 1.194 3.550 -2.236 1.00 56.45 N +ATOM 1072 NH2 ARG A 159 -0.805 3.138 -3.122 1.00 54.61 N +ATOM 1073 N GLY A 160 -3.042 2.963 4.092 1.00 64.76 N +ATOM 1074 CA GLY A 160 -3.677 1.675 4.322 1.00 65.65 C +ATOM 1075 C GLY A 160 -2.937 0.538 3.613 1.00 67.32 C +ATOM 1076 O GLY A 160 -2.366 0.733 2.538 1.00 64.47 O +ATOM 1077 N GLU A 161 -2.948 -0.634 4.232 1.00 58.36 N +ATOM 1078 CA GLU A 161 -2.356 -1.841 3.663 1.00 64.33 C +ATOM 1079 C GLU A 161 -3.000 -2.190 2.314 1.00 60.91 C +ATOM 1080 O GLU A 161 -4.172 -1.888 2.054 1.00 59.30 O +ATOM 1081 CB GLU A 161 -2.461 -3.013 4.642 1.00 63.27 C +ATOM 1082 CG GLU A 161 -1.634 -2.793 5.921 1.00 58.79 C +ATOM 1083 CD GLU A 161 -1.649 -4.004 6.870 1.00 55.88 C +ATOM 1084 OE1 GLU A 161 -0.804 -4.021 7.790 1.00 53.99 O +ATOM 1085 OE2 GLU A 161 -2.506 -4.902 6.681 1.00 54.02 O +ATOM 1086 N ALA A 162 -2.209 -2.811 1.430 1.00 68.28 N +ATOM 1087 CA ALA A 162 -2.734 -3.307 0.170 1.00 70.30 C +ATOM 1088 C ALA A 162 -3.814 -4.369 0.436 1.00 69.27 C +ATOM 1089 O ALA A 162 -3.666 -5.204 1.322 1.00 65.20 O +ATOM 1090 CB ALA A 162 -1.590 -3.850 -0.694 1.00 67.73 C +ATOM 1091 N GLY A 163 -4.887 -4.324 -0.350 1.00 61.67 N +ATOM 1092 CA GLY A 163 -5.921 -5.346 -0.262 1.00 63.28 C +ATOM 1093 C GLY A 163 -5.357 -6.748 -0.532 1.00 63.81 C +ATOM 1094 O GLY A 163 -4.357 -6.889 -1.244 1.00 61.96 O +ATOM 1095 N PRO A 164 -5.984 -7.794 0.020 1.00 58.19 N +ATOM 1096 CA PRO A 164 -5.557 -9.165 -0.221 1.00 63.53 C +ATOM 1097 C PRO A 164 -5.590 -9.483 -1.720 1.00 61.16 C +ATOM 1098 O PRO A 164 -6.409 -8.943 -2.468 1.00 59.20 O +ATOM 1099 CB PRO A 164 -6.509 -10.048 0.585 1.00 63.47 C +ATOM 1100 CG PRO A 164 -7.771 -9.199 0.700 1.00 61.60 C +ATOM 1101 CD PRO A 164 -7.218 -7.770 0.782 1.00 63.04 C +ATOM 1102 N ALA A 165 -4.699 -10.374 -2.161 1.00 62.37 N +ATOM 1103 CA ALA A 165 -4.724 -10.860 -3.535 1.00 66.34 C +ATOM 1104 C ALA A 165 -6.072 -11.529 -3.841 1.00 64.25 C +ATOM 1105 O ALA A 165 -6.640 -12.214 -2.986 1.00 61.35 O +ATOM 1106 CB ALA A 165 -3.549 -11.808 -3.754 1.00 65.02 C +ATOM 1107 N GLY A 166 -6.560 -11.326 -5.068 1.00 58.48 N +ATOM 1108 CA GLY A 166 -7.742 -12.025 -5.548 1.00 61.07 C +ATOM 1109 C GLY A 166 -7.556 -13.544 -5.484 1.00 61.94 C +ATOM 1110 O GLY A 166 -6.438 -14.051 -5.568 1.00 59.96 O +ATOM 1111 N LYS A 167 -8.661 -14.255 -5.306 1.00 57.79 N +ATOM 1112 CA LYS A 167 -8.644 -15.718 -5.315 1.00 64.62 C +ATOM 1113 C LYS A 167 -8.209 -16.222 -6.692 1.00 62.58 C +ATOM 1114 O LYS A 167 -8.518 -15.600 -7.702 1.00 61.14 O +ATOM 1115 CB LYS A 167 -10.020 -16.285 -4.947 1.00 61.75 C +ATOM 1116 CG LYS A 167 -10.435 -15.948 -3.511 1.00 57.29 C +ATOM 1117 CD LYS A 167 -11.797 -16.576 -3.200 1.00 55.04 C +ATOM 1118 CE LYS A 167 -12.240 -16.228 -1.776 1.00 51.49 C +ATOM 1119 NZ LYS A 167 -13.572 -16.812 -1.479 1.00 45.87 N +ATOM 1120 N ASP A 168 -7.512 -17.361 -6.711 1.00 60.82 N +ATOM 1121 CA ASP A 168 -7.176 -18.029 -7.952 1.00 66.25 C +ATOM 1122 C ASP A 168 -8.446 -18.345 -8.745 1.00 64.41 C +ATOM 1123 O ASP A 168 -9.475 -18.707 -8.172 1.00 60.53 O +ATOM 1124 CB ASP A 168 -6.363 -19.311 -7.684 1.00 63.43 C +ATOM 1125 CG ASP A 168 -4.978 -19.063 -7.072 1.00 60.45 C +ATOM 1126 OD1 ASP A 168 -4.409 -17.972 -7.305 1.00 57.64 O +ATOM 1127 OD2 ASP A 168 -4.488 -19.971 -6.371 1.00 55.65 O +ATOM 1128 N GLY A 169 -8.364 -18.188 -10.067 1.00 57.88 N +ATOM 1129 CA GLY A 169 -9.449 -18.562 -10.961 1.00 59.67 C +ATOM 1130 C GLY A 169 -9.797 -20.045 -10.834 1.00 60.93 C +ATOM 1131 O GLY A 169 -8.933 -20.891 -10.589 1.00 58.60 O +ATOM 1132 N GLU A 170 -11.064 -20.363 -11.024 1.00 53.11 N +ATOM 1133 CA GLU A 170 -11.511 -21.753 -11.026 1.00 59.83 C +ATOM 1134 C GLU A 170 -10.816 -22.550 -12.136 1.00 58.01 C +ATOM 1135 O GLU A 170 -10.504 -22.047 -13.217 1.00 56.65 O +ATOM 1136 CB GLU A 170 -13.035 -21.856 -11.155 1.00 58.61 C +ATOM 1137 CG GLU A 170 -13.760 -21.288 -9.912 1.00 53.49 C +ATOM 1138 CD GLU A 170 -15.283 -21.510 -9.936 1.00 49.26 C +ATOM 1139 OE1 GLU A 170 -15.894 -21.275 -8.871 1.00 46.61 O +ATOM 1140 OE2 GLU A 170 -15.815 -21.913 -10.992 1.00 46.42 O +ATOM 1141 N ARG A 171 -10.543 -23.820 -11.852 1.00 55.29 N +ATOM 1142 CA ARG A 171 -9.929 -24.717 -12.833 1.00 59.48 C +ATOM 1143 C ARG A 171 -10.895 -24.938 -13.993 1.00 56.89 C +ATOM 1144 O ARG A 171 -12.059 -25.265 -13.767 1.00 54.62 O +ATOM 1145 CB ARG A 171 -9.532 -26.017 -12.137 1.00 58.97 C +ATOM 1146 CG ARG A 171 -8.644 -26.878 -13.035 1.00 55.67 C +ATOM 1147 CD ARG A 171 -8.138 -28.079 -12.233 1.00 55.27 C +ATOM 1148 NE ARG A 171 -7.023 -28.736 -12.912 1.00 53.87 N +ATOM 1149 CZ ARG A 171 -6.320 -29.757 -12.445 1.00 48.99 C +ATOM 1150 NH1 ARG A 171 -6.610 -30.336 -11.321 1.00 49.65 N +ATOM 1151 NH2 ARG A 171 -5.298 -30.214 -13.117 1.00 48.05 N +ATOM 1152 N GLY A 172 -10.389 -24.793 -15.215 1.00 58.14 N +ATOM 1153 CA GLY A 172 -11.193 -25.045 -16.403 1.00 59.42 C +ATOM 1154 C GLY A 172 -11.765 -26.479 -16.429 1.00 60.01 C +ATOM 1155 O GLY A 172 -11.153 -27.398 -15.878 1.00 58.45 O +ATOM 1156 N PRO A 173 -12.912 -26.683 -17.084 1.00 54.85 N +ATOM 1157 CA PRO A 173 -13.506 -28.007 -17.208 1.00 59.13 C +ATOM 1158 C PRO A 173 -12.566 -28.964 -17.953 1.00 56.52 C +ATOM 1159 O PRO A 173 -11.760 -28.551 -18.790 1.00 55.63 O +ATOM 1160 CB PRO A 173 -14.842 -27.801 -17.937 1.00 59.40 C +ATOM 1161 CG PRO A 173 -14.597 -26.538 -18.756 1.00 56.97 C +ATOM 1162 CD PRO A 173 -13.681 -25.711 -17.840 1.00 57.79 C +ATOM 1163 N VAL A 174 -12.685 -30.246 -17.658 1.00 60.62 N +ATOM 1164 CA VAL A 174 -11.961 -31.292 -18.395 1.00 65.40 C +ATOM 1165 C VAL A 174 -12.419 -31.284 -19.851 1.00 63.11 C +ATOM 1166 O VAL A 174 -13.618 -31.226 -20.131 1.00 59.88 O +ATOM 1167 CB VAL A 174 -12.178 -32.670 -17.738 1.00 64.04 C +ATOM 1168 CG1 VAL A 174 -11.466 -33.789 -18.497 1.00 59.52 C +ATOM 1169 CG2 VAL A 174 -11.648 -32.690 -16.299 1.00 60.37 C +ATOM 1170 N GLY A 175 -11.459 -31.330 -20.787 1.00 56.56 N +ATOM 1171 CA GLY A 175 -11.764 -31.412 -22.208 1.00 58.03 C +ATOM 1172 C GLY A 175 -12.580 -32.670 -22.556 1.00 58.34 C +ATOM 1173 O GLY A 175 -12.450 -33.694 -21.881 1.00 56.63 O +ATOM 1174 N PRO A 176 -13.402 -32.608 -23.604 1.00 53.99 N +ATOM 1175 CA PRO A 176 -14.157 -33.769 -24.047 1.00 58.92 C +ATOM 1176 C PRO A 176 -13.213 -34.914 -24.449 1.00 56.45 C +ATOM 1177 O PRO A 176 -12.087 -34.671 -24.894 1.00 55.69 O +ATOM 1178 CB PRO A 176 -15.020 -33.288 -25.224 1.00 59.45 C +ATOM 1179 CG PRO A 176 -14.218 -32.116 -25.777 1.00 57.69 C +ATOM 1180 CD PRO A 176 -13.581 -31.500 -24.528 1.00 58.78 C +ATOM 1181 N ALA A 177 -13.671 -36.144 -24.300 1.00 58.25 N +ATOM 1182 CA ALA A 177 -12.922 -37.299 -24.777 1.00 62.81 C +ATOM 1183 C ALA A 177 -12.700 -37.204 -26.299 1.00 60.27 C +ATOM 1184 O ALA A 177 -13.574 -36.745 -27.031 1.00 57.80 O +ATOM 1185 CB ALA A 177 -13.652 -38.582 -24.386 1.00 62.09 C +ATOM 1186 N GLY A 178 -11.524 -37.659 -26.760 1.00 56.48 N +ATOM 1187 CA GLY A 178 -11.239 -37.775 -28.183 1.00 58.59 C +ATOM 1188 C GLY A 178 -12.249 -38.690 -28.885 1.00 59.20 C +ATOM 1189 O GLY A 178 -12.785 -39.616 -28.273 1.00 57.10 O +ATOM 1190 N LYS A 179 -12.509 -38.394 -30.155 1.00 54.68 N +ATOM 1191 CA LYS A 179 -13.379 -39.261 -30.968 1.00 61.71 C +ATOM 1192 C LYS A 179 -12.697 -40.607 -31.190 1.00 59.86 C +ATOM 1193 O LYS A 179 -11.480 -40.659 -31.349 1.00 59.39 O +ATOM 1194 CB LYS A 179 -13.728 -38.597 -32.304 1.00 60.64 C +ATOM 1195 CG LYS A 179 -14.585 -37.334 -32.129 1.00 57.43 C +ATOM 1196 CD LYS A 179 -14.949 -36.747 -33.496 1.00 56.02 C +ATOM 1197 CE LYS A 179 -15.783 -35.473 -33.315 1.00 52.23 C +ATOM 1198 NZ LYS A 179 -16.132 -34.867 -34.619 1.00 46.59 N +ATOM 1199 N ASP A 180 -13.480 -41.660 -31.233 1.00 58.74 N +ATOM 1200 CA ASP A 180 -12.980 -42.987 -31.570 1.00 63.68 C +ATOM 1201 C ASP A 180 -12.342 -42.970 -32.975 1.00 61.13 C +ATOM 1202 O ASP A 180 -12.820 -42.273 -33.881 1.00 58.12 O +ATOM 1203 CB ASP A 180 -14.096 -44.035 -31.471 1.00 62.31 C +ATOM 1204 CG ASP A 180 -14.675 -44.200 -30.056 1.00 59.38 C +ATOM 1205 OD1 ASP A 180 -13.950 -43.914 -29.066 1.00 56.74 O +ATOM 1206 OD2 ASP A 180 -15.858 -44.589 -29.956 1.00 55.36 O +ATOM 1207 N GLY A 181 -11.257 -43.729 -33.150 1.00 60.55 N +ATOM 1208 CA GLY A 181 -10.617 -43.897 -34.457 1.00 61.43 C +ATOM 1209 C GLY A 181 -11.575 -44.531 -35.465 1.00 62.24 C +ATOM 1210 O GLY A 181 -12.423 -45.345 -35.108 1.00 59.32 O +ATOM 1211 N GLN A 182 -11.422 -44.141 -36.737 1.00 52.60 N +ATOM 1212 CA GLN A 182 -12.202 -44.767 -37.804 1.00 57.51 C +ATOM 1213 C GLN A 182 -11.748 -46.225 -38.000 1.00 56.64 C +ATOM 1214 O GLN A 182 -10.560 -46.516 -37.932 1.00 55.08 O +ATOM 1215 CB GLN A 182 -12.102 -43.976 -39.108 1.00 57.09 C +ATOM 1216 CG GLN A 182 -12.817 -42.613 -39.008 1.00 54.88 C +ATOM 1217 CD GLN A 182 -12.812 -41.819 -40.309 1.00 51.35 C +ATOM 1218 OE1 GLN A 182 -12.157 -42.129 -41.291 1.00 50.56 O +ATOM 1219 NE2 GLN A 182 -13.541 -40.731 -40.385 1.00 46.68 N +ATOM 1220 N ASN A 183 -12.684 -47.115 -38.270 1.00 62.45 N +ATOM 1221 CA ASN A 183 -12.356 -48.496 -38.600 1.00 66.29 C +ATOM 1222 C ASN A 183 -11.486 -48.537 -39.864 1.00 64.03 C +ATOM 1223 O ASN A 183 -11.720 -47.791 -40.813 1.00 60.48 O +ATOM 1224 CB ASN A 183 -13.652 -49.317 -38.790 1.00 63.55 C +ATOM 1225 CG ASN A 183 -14.452 -49.510 -37.516 1.00 59.01 C +ATOM 1226 OD1 ASN A 183 -13.991 -49.328 -36.401 1.00 56.23 O +ATOM 1227 ND2 ASN A 183 -15.696 -49.904 -37.629 1.00 54.42 N +ATOM 1228 N GLY A 184 -10.496 -49.409 -39.861 1.00 59.80 N +ATOM 1229 CA GLY A 184 -9.713 -49.682 -41.069 1.00 60.30 C +ATOM 1230 C GLY A 184 -10.599 -50.192 -42.205 1.00 60.41 C +ATOM 1231 O GLY A 184 -11.611 -50.846 -41.970 1.00 57.76 O +ATOM 1232 N GLN A 185 -10.203 -49.874 -43.448 1.00 52.13 N +ATOM 1233 CA GLN A 185 -10.885 -50.428 -44.620 1.00 57.11 C +ATOM 1234 C GLN A 185 -10.576 -51.914 -44.758 1.00 56.40 C +ATOM 1235 O GLN A 185 -9.450 -52.341 -44.515 1.00 54.51 O +ATOM 1236 CB GLN A 185 -10.492 -49.665 -45.896 1.00 56.06 C +ATOM 1237 CG GLN A 185 -11.037 -48.223 -45.887 1.00 53.18 C +ATOM 1238 CD GLN A 185 -10.715 -47.436 -47.163 1.00 49.72 C +ATOM 1239 OE1 GLN A 185 -9.978 -47.843 -48.049 1.00 48.47 O +ATOM 1240 NE2 GLN A 185 -11.259 -46.258 -47.309 1.00 45.28 N +ATOM 1241 N ASP A 186 -11.555 -52.672 -45.181 1.00 57.16 N +ATOM 1242 CA ASP A 186 -11.364 -54.095 -45.455 1.00 61.85 C +ATOM 1243 C ASP A 186 -10.274 -54.305 -46.520 1.00 59.70 C +ATOM 1244 O ASP A 186 -10.187 -53.568 -47.511 1.00 56.55 O +ATOM 1245 CB ASP A 186 -12.686 -54.749 -45.898 1.00 60.44 C +ATOM 1246 CG ASP A 186 -13.757 -54.790 -44.809 1.00 58.15 C +ATOM 1247 OD1 ASP A 186 -13.396 -54.816 -43.610 1.00 56.13 O +ATOM 1248 OD2 ASP A 186 -14.950 -54.812 -45.186 1.00 53.81 O +ATOM 1249 N GLY A 187 -9.434 -55.300 -46.316 1.00 59.58 N +ATOM 1250 CA GLY A 187 -8.406 -55.664 -47.286 1.00 60.10 C +ATOM 1251 C GLY A 187 -9.026 -56.118 -48.612 1.00 60.18 C +ATOM 1252 O GLY A 187 -10.051 -56.795 -48.640 1.00 57.42 O +ATOM 1253 N LEU A 188 -8.373 -55.758 -49.742 1.00 51.22 N +ATOM 1254 CA LEU A 188 -8.816 -56.229 -51.052 1.00 56.26 C +ATOM 1255 C LEU A 188 -8.587 -57.750 -51.194 1.00 55.53 C +ATOM 1256 O LEU A 188 -7.550 -58.239 -50.738 1.00 55.09 O +ATOM 1257 CB LEU A 188 -8.092 -55.469 -52.172 1.00 55.70 C +ATOM 1258 CG LEU A 188 -8.454 -53.974 -52.277 1.00 52.46 C +ATOM 1259 CD1 LEU A 188 -7.557 -53.300 -53.318 1.00 51.08 C +ATOM 1260 CD2 LEU A 188 -9.910 -53.758 -52.702 1.00 49.91 C +ATOM 1261 N PRO A 189 -9.475 -58.465 -51.856 1.00 57.40 N +ATOM 1262 CA PRO A 189 -9.264 -59.881 -52.153 1.00 61.64 C +ATOM 1263 C PRO A 189 -7.937 -60.110 -52.899 1.00 59.48 C +ATOM 1264 O PRO A 189 -7.567 -59.348 -53.790 1.00 58.40 O +ATOM 1265 CB PRO A 189 -10.464 -60.326 -52.992 1.00 61.62 C +ATOM 1266 CG PRO A 189 -11.567 -59.341 -52.591 1.00 57.12 C +ATOM 1267 CD PRO A 189 -10.803 -58.052 -52.326 1.00 58.30 C +ATOM 1268 N GLY A 190 -7.224 -61.161 -52.532 1.00 57.84 N +ATOM 1269 CA GLY A 190 -6.014 -61.571 -53.242 1.00 58.81 C +ATOM 1270 C GLY A 190 -6.307 -61.903 -54.716 1.00 58.66 C +ATOM 1271 O GLY A 190 -7.386 -62.377 -55.049 1.00 56.61 O +ATOM 1272 N LYS A 191 -5.320 -61.630 -55.619 1.00 50.17 N +ATOM 1273 CA LYS A 191 -5.447 -62.006 -57.031 1.00 56.13 C +ATOM 1274 C LYS A 191 -5.285 -63.515 -57.195 1.00 54.48 C +ATOM 1275 O LYS A 191 -4.412 -64.103 -56.567 1.00 54.26 O +ATOM 1276 CB LYS A 191 -4.422 -61.266 -57.902 1.00 55.83 C +ATOM 1277 CG LYS A 191 -4.695 -59.759 -57.960 1.00 52.98 C +ATOM 1278 CD LYS A 191 -3.723 -59.064 -58.909 1.00 51.04 C +ATOM 1279 CE LYS A 191 -4.012 -57.568 -58.942 1.00 48.36 C +ATOM 1280 NZ LYS A 191 -3.127 -56.839 -59.876 1.00 43.07 N +ATOM 1281 N ASP A 192 -6.053 -64.084 -58.097 1.00 53.71 N +ATOM 1282 CA ASP A 192 -5.931 -65.499 -58.441 1.00 58.08 C +ATOM 1283 C ASP A 192 -4.502 -65.850 -58.881 1.00 55.83 C +ATOM 1284 O ASP A 192 -3.829 -65.095 -59.589 1.00 53.83 O +ATOM 1285 CB ASP A 192 -6.929 -65.870 -59.556 1.00 56.60 C +ATOM 1286 CG ASP A 192 -8.392 -65.837 -59.110 1.00 53.69 C +ATOM 1287 OD1 ASP A 192 -8.632 -66.123 -57.922 1.00 51.46 O +ATOM 1288 OD2 ASP A 192 -9.234 -65.621 -59.994 1.00 49.82 O +ATOM 1289 N GLY A 193 -4.022 -66.997 -58.458 1.00 55.42 N +ATOM 1290 CA GLY A 193 -2.744 -67.556 -58.906 1.00 56.09 C +ATOM 1291 C GLY A 193 -2.735 -67.776 -60.426 1.00 55.51 C +ATOM 1292 O GLY A 193 -3.752 -68.096 -61.033 1.00 53.47 O +ATOM 1293 N LYS A 194 -1.538 -67.608 -61.057 1.00 48.78 N +ATOM 1294 CA LYS A 194 -1.385 -67.931 -62.476 1.00 53.02 C +ATOM 1295 C LYS A 194 -1.441 -69.445 -62.668 1.00 51.45 C +ATOM 1296 O LYS A 194 -0.801 -70.170 -61.916 1.00 51.00 O +ATOM 1297 CB LYS A 194 -0.070 -67.382 -63.043 1.00 52.42 C +ATOM 1298 CG LYS A 194 -0.044 -65.853 -63.119 1.00 49.30 C +ATOM 1299 CD LYS A 194 1.259 -65.383 -63.764 1.00 47.51 C +ATOM 1300 CE LYS A 194 1.310 -63.859 -63.864 1.00 44.40 C +ATOM 1301 NZ LYS A 194 2.570 -63.406 -64.491 1.00 40.46 N +ATOM 1302 N ASP A 195 -2.124 -69.872 -63.704 1.00 50.22 N +ATOM 1303 CA ASP A 195 -2.175 -71.282 -64.064 1.00 53.57 C +ATOM 1304 C ASP A 195 -0.758 -71.830 -64.308 1.00 51.81 C +ATOM 1305 O ASP A 195 0.112 -71.168 -64.883 1.00 50.61 O +ATOM 1306 CB ASP A 195 -3.063 -71.494 -65.306 1.00 52.76 C +ATOM 1307 CG ASP A 195 -4.530 -71.129 -65.069 1.00 49.90 C +ATOM 1308 OD1 ASP A 195 -4.993 -71.238 -63.910 1.00 47.88 O +ATOM 1309 OD2 ASP A 195 -5.169 -70.719 -66.064 1.00 46.50 O +ATOM 1310 N GLY A 196 -0.507 -73.036 -63.820 1.00 50.85 N +ATOM 1311 CA GLY A 196 0.759 -73.732 -64.037 1.00 52.01 C +ATOM 1312 C GLY A 196 0.991 -74.000 -65.525 1.00 52.13 C +ATOM 1313 O GLY A 196 0.067 -74.295 -66.276 1.00 50.47 O +ATOM 1314 N GLN A 197 2.272 -73.904 -65.974 1.00 43.51 N +ATOM 1315 CA GLN A 197 2.629 -74.315 -67.333 1.00 47.03 C +ATOM 1316 C GLN A 197 2.540 -75.838 -67.457 1.00 46.80 C +ATOM 1317 O GLN A 197 3.066 -76.554 -66.607 1.00 46.02 O +ATOM 1318 CB GLN A 197 4.042 -73.831 -67.706 1.00 46.30 C +ATOM 1319 CG GLN A 197 4.104 -72.304 -67.895 1.00 43.60 C +ATOM 1320 CD GLN A 197 5.489 -71.811 -68.316 1.00 40.56 C +ATOM 1321 OE1 GLN A 197 6.493 -72.503 -68.318 1.00 38.84 O +ATOM 1322 NE2 GLN A 197 5.610 -70.563 -68.698 1.00 37.30 N +ATOM 1323 N ASN A 198 1.925 -76.309 -68.533 1.00 49.89 N +ATOM 1324 CA ASN A 198 1.877 -77.743 -68.817 1.00 52.56 C +ATOM 1325 C ASN A 198 3.302 -78.310 -68.892 1.00 51.54 C +ATOM 1326 O ASN A 198 4.160 -77.796 -69.606 1.00 50.72 O +ATOM 1327 CB ASN A 198 1.093 -78.001 -70.120 1.00 51.35 C +ATOM 1328 CG ASN A 198 -0.393 -77.714 -70.002 1.00 47.88 C +ATOM 1329 OD1 ASN A 198 -0.950 -77.589 -68.924 1.00 45.90 O +ATOM 1330 ND2 ASN A 198 -1.093 -77.599 -71.100 1.00 44.79 N +ATOM 1331 N GLY A 199 3.559 -79.347 -68.120 1.00 48.94 N +ATOM 1332 CA GLY A 199 4.811 -80.091 -68.188 1.00 49.90 C +ATOM 1333 C GLY A 199 4.975 -80.769 -69.547 1.00 49.66 C +ATOM 1334 O GLY A 199 3.999 -81.152 -70.182 1.00 48.17 O +ATOM 1335 N LYS A 200 6.251 -80.924 -70.016 1.00 44.18 N +ATOM 1336 CA LYS A 200 6.550 -81.800 -71.153 1.00 49.04 C +ATOM 1337 C LYS A 200 6.305 -83.246 -70.734 1.00 48.37 C +ATOM 1338 O LYS A 200 6.719 -83.634 -69.640 1.00 48.66 O +ATOM 1339 CB LYS A 200 7.997 -81.611 -71.641 1.00 49.62 C +ATOM 1340 CG LYS A 200 8.245 -80.242 -72.269 1.00 47.04 C +ATOM 1341 CD LYS A 200 9.682 -80.127 -72.768 1.00 45.73 C +ATOM 1342 CE LYS A 200 9.930 -78.749 -73.397 1.00 43.07 C +ATOM 1343 NZ LYS A 200 11.321 -78.591 -73.859 1.00 38.85 N +ATOM 1344 N ASP A 201 5.709 -84.020 -71.608 1.00 47.03 N +ATOM 1345 CA ASP A 201 5.412 -85.430 -71.342 1.00 50.57 C +ATOM 1346 C ASP A 201 6.646 -86.191 -70.847 1.00 49.33 C +ATOM 1347 O ASP A 201 7.727 -86.115 -71.431 1.00 49.09 O +ATOM 1348 CB ASP A 201 4.848 -86.092 -72.620 1.00 50.74 C +ATOM 1349 CG ASP A 201 3.500 -85.512 -73.058 1.00 48.38 C +ATOM 1350 OD1 ASP A 201 2.758 -85.034 -72.166 1.00 46.87 O +ATOM 1351 OD2 ASP A 201 3.246 -85.529 -74.280 1.00 45.86 O +ATOM 1352 N GLY A 202 6.500 -86.923 -69.747 1.00 50.86 N +ATOM 1353 CA GLY A 202 7.484 -87.872 -69.226 1.00 52.12 C +ATOM 1354 C GLY A 202 8.298 -87.447 -67.992 1.00 50.86 C +ATOM 1355 O GLY A 202 9.155 -88.216 -67.566 1.00 49.11 O +ATOM 1356 N LEU A 203 8.088 -86.318 -67.404 1.00 46.13 N +ATOM 1357 CA LEU A 203 8.697 -85.963 -66.114 1.00 51.05 C +ATOM 1358 C LEU A 203 7.617 -85.831 -65.027 1.00 49.74 C +ATOM 1359 O LEU A 203 6.545 -85.319 -65.321 1.00 49.29 O +ATOM 1360 CB LEU A 203 9.529 -84.674 -66.248 1.00 50.90 C +ATOM 1361 CG LEU A 203 10.796 -84.823 -67.102 1.00 47.79 C +ATOM 1362 CD1 LEU A 203 11.449 -83.453 -67.313 1.00 46.14 C +ATOM 1363 CD2 LEU A 203 11.841 -85.737 -66.454 1.00 45.44 C +ATOM 1364 N PRO A 204 7.916 -86.288 -63.800 1.00 50.94 N +ATOM 1365 CA PRO A 204 7.007 -86.056 -62.670 1.00 54.11 C +ATOM 1366 C PRO A 204 6.632 -84.570 -62.585 1.00 52.49 C +ATOM 1367 O PRO A 204 7.487 -83.703 -62.773 1.00 52.53 O +ATOM 1368 CB PRO A 204 7.746 -86.534 -61.407 1.00 54.67 C +ATOM 1369 CG PRO A 204 8.773 -87.523 -61.938 1.00 52.55 C +ATOM 1370 CD PRO A 204 9.124 -86.978 -63.305 1.00 55.92 C +ATOM 1371 N GLY A 205 5.394 -84.310 -62.315 1.00 51.83 N +ATOM 1372 CA GLY A 205 4.924 -82.949 -62.096 1.00 53.50 C +ATOM 1373 C GLY A 205 5.717 -82.296 -60.960 1.00 53.35 C +ATOM 1374 O GLY A 205 5.900 -82.905 -59.916 1.00 51.78 O +ATOM 1375 N LYS A 206 6.244 -81.101 -61.194 1.00 52.07 N +ATOM 1376 CA LYS A 206 6.846 -80.331 -60.100 1.00 58.73 C +ATOM 1377 C LYS A 206 5.723 -79.791 -59.229 1.00 58.39 C +ATOM 1378 O LYS A 206 4.735 -79.306 -59.775 1.00 57.69 O +ATOM 1379 CB LYS A 206 7.717 -79.186 -60.631 1.00 57.54 C +ATOM 1380 CG LYS A 206 8.970 -79.694 -61.344 1.00 53.61 C +ATOM 1381 CD LYS A 206 9.869 -78.531 -61.767 1.00 51.02 C +ATOM 1382 CE LYS A 206 11.119 -79.066 -62.458 1.00 47.38 C +ATOM 1383 NZ LYS A 206 12.041 -77.989 -62.843 1.00 42.01 N +ATOM 1384 N ASP A 207 5.936 -79.825 -57.935 1.00 54.54 N +ATOM 1385 CA ASP A 207 5.007 -79.241 -56.976 1.00 59.36 C +ATOM 1386 C ASP A 207 4.636 -77.812 -57.393 1.00 56.73 C +ATOM 1387 O ASP A 207 5.468 -77.048 -57.913 1.00 54.39 O +ATOM 1388 CB ASP A 207 5.606 -79.277 -55.561 1.00 58.16 C +ATOM 1389 CG ASP A 207 5.997 -80.681 -55.097 1.00 53.69 C +ATOM 1390 OD1 ASP A 207 5.349 -81.646 -55.555 1.00 50.54 O +ATOM 1391 OD2 ASP A 207 7.005 -80.789 -54.362 1.00 48.91 O +ATOM 1392 N GLY A 208 3.395 -77.478 -57.221 1.00 56.14 N +ATOM 1393 CA GLY A 208 2.924 -76.123 -57.464 1.00 57.27 C +ATOM 1394 C GLY A 208 3.703 -75.131 -56.583 1.00 57.33 C +ATOM 1395 O GLY A 208 3.977 -75.414 -55.424 1.00 55.71 O +ATOM 1396 N LYS A 209 4.097 -74.016 -57.172 1.00 56.08 N +ATOM 1397 CA LYS A 209 4.710 -72.968 -56.344 1.00 63.40 C +ATOM 1398 C LYS A 209 3.648 -72.395 -55.405 1.00 62.77 C +ATOM 1399 O LYS A 209 2.559 -72.079 -55.870 1.00 62.63 O +ATOM 1400 CB LYS A 209 5.300 -71.850 -57.206 1.00 62.09 C +ATOM 1401 CG LYS A 209 6.534 -72.299 -57.995 1.00 57.22 C +ATOM 1402 CD LYS A 209 7.122 -71.098 -58.733 1.00 54.33 C +ATOM 1403 CE LYS A 209 8.372 -71.490 -59.504 1.00 50.60 C +ATOM 1404 NZ LYS A 209 8.992 -70.317 -60.163 1.00 45.00 N +ATOM 1405 N ASP A 210 4.030 -72.211 -54.137 1.00 58.03 N +ATOM 1406 CA ASP A 210 3.180 -71.538 -53.163 1.00 63.89 C +ATOM 1407 C ASP A 210 2.662 -70.207 -53.720 1.00 60.84 C +ATOM 1408 O ASP A 210 3.377 -69.465 -54.412 1.00 57.60 O +ATOM 1409 CB ASP A 210 3.943 -71.307 -51.846 1.00 62.92 C +ATOM 1410 CG ASP A 210 4.472 -72.600 -51.217 1.00 58.15 C +ATOM 1411 OD1 ASP A 210 3.837 -73.656 -51.444 1.00 54.41 O +ATOM 1412 OD2 ASP A 210 5.548 -72.525 -50.594 1.00 52.64 O +ATOM 1413 N GLY A 211 1.418 -69.926 -53.471 1.00 61.95 N +ATOM 1414 CA GLY A 211 0.830 -68.641 -53.818 1.00 62.92 C +ATOM 1415 C GLY A 211 1.604 -67.509 -53.145 1.00 63.64 C +ATOM 1416 O GLY A 211 1.972 -67.604 -51.975 1.00 61.74 O +ATOM 1417 N GLN A 212 1.886 -66.451 -53.880 1.00 52.94 N +ATOM 1418 CA GLN A 212 2.480 -65.277 -53.254 1.00 59.21 C +ATOM 1419 C GLN A 212 1.471 -64.661 -52.293 1.00 57.80 C +ATOM 1420 O GLN A 212 0.327 -64.424 -52.672 1.00 57.05 O +ATOM 1421 CB GLN A 212 2.931 -64.239 -54.300 1.00 59.93 C +ATOM 1422 CG GLN A 212 4.167 -64.712 -55.077 1.00 56.70 C +ATOM 1423 CD GLN A 212 4.693 -63.681 -56.076 1.00 51.62 C +ATOM 1424 OE1 GLN A 212 4.085 -62.687 -56.421 1.00 51.55 O +ATOM 1425 NE2 GLN A 212 5.876 -63.886 -56.610 1.00 47.53 N +ATOM 1426 N ASN A 213 1.929 -64.366 -51.078 1.00 63.47 N +ATOM 1427 CA ASN A 213 1.117 -63.646 -50.111 1.00 68.85 C +ATOM 1428 C ASN A 213 0.555 -62.370 -50.742 1.00 65.34 C +ATOM 1429 O ASN A 213 1.236 -61.670 -51.497 1.00 61.96 O +ATOM 1430 CB ASN A 213 1.944 -63.348 -48.842 1.00 66.79 C +ATOM 1431 CG ASN A 213 2.328 -64.589 -48.053 1.00 61.71 C +ATOM 1432 OD1 ASN A 213 1.862 -65.688 -48.307 1.00 58.42 O +ATOM 1433 ND2 ASN A 213 3.200 -64.478 -47.076 1.00 55.97 N +ATOM 1434 N GLY A 214 -0.690 -62.066 -50.449 1.00 63.54 N +ATOM 1435 CA GLY A 214 -1.302 -60.805 -50.832 1.00 64.42 C +ATOM 1436 C GLY A 214 -0.483 -59.634 -50.269 1.00 64.28 C +ATOM 1437 O GLY A 214 0.074 -59.730 -49.176 1.00 61.74 O +ATOM 1438 N LYS A 215 -0.362 -58.555 -51.036 1.00 54.15 N +ATOM 1439 CA LYS A 215 0.291 -57.354 -50.508 1.00 64.30 C +ATOM 1440 C LYS A 215 -0.533 -56.815 -49.338 1.00 61.35 C +ATOM 1441 O LYS A 215 -1.752 -56.719 -49.463 1.00 61.89 O +ATOM 1442 CB LYS A 215 0.449 -56.275 -51.583 1.00 65.17 C +ATOM 1443 CG LYS A 215 1.444 -56.684 -52.672 1.00 61.84 C +ATOM 1444 CD LYS A 215 1.661 -55.524 -53.644 1.00 58.83 C +ATOM 1445 CE LYS A 215 2.678 -55.917 -54.712 1.00 55.60 C +ATOM 1446 NZ LYS A 215 3.018 -54.772 -55.580 1.00 48.68 N +ATOM 1447 N ASP A 216 0.166 -56.424 -48.295 1.00 62.04 N +ATOM 1448 CA ASP A 216 -0.468 -55.779 -47.154 1.00 67.29 C +ATOM 1449 C ASP A 216 -1.345 -54.606 -47.611 1.00 64.32 C +ATOM 1450 O ASP A 216 -1.004 -53.864 -48.545 1.00 60.14 O +ATOM 1451 CB ASP A 216 0.591 -55.308 -46.141 1.00 65.76 C +ATOM 1452 CG ASP A 216 1.474 -56.444 -45.613 1.00 62.79 C +ATOM 1453 OD1 ASP A 216 0.966 -57.585 -45.558 1.00 58.85 O +ATOM 1454 OD2 ASP A 216 2.663 -56.168 -45.371 1.00 57.15 O +ATOM 1455 N GLY A 217 -2.486 -54.467 -46.965 1.00 60.85 N +ATOM 1456 CA GLY A 217 -3.348 -53.316 -47.183 1.00 61.60 C +ATOM 1457 C GLY A 217 -2.598 -52.017 -46.873 1.00 61.17 C +ATOM 1458 O GLY A 217 -1.787 -51.958 -45.957 1.00 58.54 O +ATOM 1459 N LEU A 218 -2.837 -50.988 -47.681 1.00 52.73 N +ATOM 1460 CA LEU A 218 -2.236 -49.684 -47.397 1.00 60.16 C +ATOM 1461 C LEU A 218 -2.711 -49.168 -46.030 1.00 58.53 C +ATOM 1462 O LEU A 218 -3.901 -49.291 -45.731 1.00 59.33 O +ATOM 1463 CB LEU A 218 -2.588 -48.678 -48.514 1.00 60.92 C +ATOM 1464 CG LEU A 218 -1.936 -48.973 -49.870 1.00 56.95 C +ATOM 1465 CD1 LEU A 218 -2.511 -48.037 -50.933 1.00 54.43 C +ATOM 1466 CD2 LEU A 218 -0.421 -48.772 -49.839 1.00 53.34 C +ATOM 1467 N PRO A 219 -1.818 -48.570 -45.214 1.00 59.82 N +ATOM 1468 CA PRO A 219 -2.208 -47.931 -43.962 1.00 63.44 C +ATOM 1469 C PRO A 219 -3.354 -46.931 -44.182 1.00 60.36 C +ATOM 1470 O PRO A 219 -3.387 -46.224 -45.196 1.00 59.34 O +ATOM 1471 CB PRO A 219 -0.948 -47.242 -43.423 1.00 64.09 C +ATOM 1472 CG PRO A 219 0.197 -48.031 -44.053 1.00 61.04 C +ATOM 1473 CD PRO A 219 -0.361 -48.451 -45.402 1.00 63.05 C +ATOM 1474 N GLY A 220 -4.275 -46.897 -43.257 1.00 58.94 N +ATOM 1475 CA GLY A 220 -5.312 -45.867 -43.237 1.00 60.83 C +ATOM 1476 C GLY A 220 -4.693 -44.466 -43.200 1.00 59.68 C +ATOM 1477 O GLY A 220 -3.633 -44.268 -42.622 1.00 58.40 O +ATOM 1478 N LYS A 221 -5.331 -43.511 -43.862 1.00 53.95 N +ATOM 1479 CA LYS A 221 -4.849 -42.119 -43.805 1.00 61.52 C +ATOM 1480 C LYS A 221 -4.955 -41.594 -42.374 1.00 60.57 C +ATOM 1481 O LYS A 221 -6.008 -41.734 -41.760 1.00 59.64 O +ATOM 1482 CB LYS A 221 -5.645 -41.209 -44.750 1.00 60.17 C +ATOM 1483 CG LYS A 221 -5.368 -41.505 -46.223 1.00 56.28 C +ATOM 1484 CD LYS A 221 -6.139 -40.525 -47.113 1.00 53.04 C +ATOM 1485 CE LYS A 221 -5.862 -40.814 -48.591 1.00 49.38 C +ATOM 1486 NZ LYS A 221 -6.614 -39.898 -49.472 1.00 43.72 N +ATOM 1487 N ASP A 222 -3.885 -40.940 -41.920 1.00 55.03 N +ATOM 1488 CA ASP A 222 -3.796 -40.362 -40.584 1.00 59.59 C +ATOM 1489 C ASP A 222 -5.010 -39.479 -40.260 1.00 56.51 C +ATOM 1490 O ASP A 222 -5.401 -38.597 -41.035 1.00 54.39 O +ATOM 1491 CB ASP A 222 -2.492 -39.544 -40.446 1.00 59.00 C +ATOM 1492 CG ASP A 222 -1.225 -40.336 -40.792 1.00 55.93 C +ATOM 1493 OD1 ASP A 222 -1.260 -41.574 -40.632 1.00 53.02 O +ATOM 1494 OD2 ASP A 222 -0.296 -39.702 -41.320 1.00 51.44 O +ATOM 1495 N GLY A 223 -5.619 -39.747 -39.127 1.00 58.71 N +ATOM 1496 CA GLY A 223 -6.554 -38.806 -38.519 1.00 60.17 C +ATOM 1497 C GLY A 223 -5.790 -37.565 -38.057 1.00 59.93 C +ATOM 1498 O GLY A 223 -4.692 -37.669 -37.520 1.00 57.91 O +ATOM 1499 N LYS A 224 -6.350 -36.381 -38.281 1.00 57.38 N +ATOM 1500 CA LYS A 224 -5.734 -35.162 -37.743 1.00 63.84 C +ATOM 1501 C LYS A 224 -5.798 -35.202 -36.208 1.00 62.25 C +ATOM 1502 O LYS A 224 -6.882 -35.161 -35.645 1.00 61.07 O +ATOM 1503 CB LYS A 224 -6.396 -33.893 -38.315 1.00 62.36 C +ATOM 1504 CG LYS A 224 -6.018 -33.663 -39.780 1.00 58.15 C +ATOM 1505 CD LYS A 224 -6.616 -32.347 -40.284 1.00 55.51 C +ATOM 1506 CE LYS A 224 -6.187 -32.086 -41.724 1.00 51.86 C +ATOM 1507 NZ LYS A 224 -6.735 -30.804 -42.218 1.00 46.35 N +ATOM 1508 N ASP A 225 -4.602 -35.272 -35.618 1.00 62.90 N +ATOM 1509 CA ASP A 225 -4.264 -35.098 -34.205 1.00 66.75 C +ATOM 1510 C ASP A 225 -4.814 -36.131 -33.209 1.00 64.21 C +ATOM 1511 O ASP A 225 -5.816 -35.934 -32.517 1.00 60.49 O +ATOM 1512 CB ASP A 225 -4.456 -33.631 -33.787 1.00 65.33 C +ATOM 1513 CG ASP A 225 -3.664 -32.652 -34.666 1.00 62.15 C +ATOM 1514 OD1 ASP A 225 -2.649 -33.082 -35.253 1.00 58.98 O +ATOM 1515 OD2 ASP A 225 -4.102 -31.478 -34.765 1.00 57.31 O +ATOM 1516 N GLY A 226 -4.047 -37.202 -33.071 1.00 57.66 N +ATOM 1517 CA GLY A 226 -4.041 -38.121 -31.933 1.00 58.30 C +ATOM 1518 C GLY A 226 -2.954 -39.178 -32.169 1.00 58.12 C +ATOM 1519 O GLY A 226 -2.838 -39.670 -33.280 1.00 55.81 O +ATOM 1520 N GLN A 227 -2.109 -39.437 -31.150 1.00 56.74 N +ATOM 1521 CA GLN A 227 -1.021 -40.416 -31.276 1.00 60.82 C +ATOM 1522 C GLN A 227 -1.555 -41.747 -31.805 1.00 60.74 C +ATOM 1523 O GLN A 227 -2.571 -42.238 -31.314 1.00 58.16 O +ATOM 1524 CB GLN A 227 -0.345 -40.636 -29.911 1.00 59.09 C +ATOM 1525 CG GLN A 227 0.528 -39.449 -29.478 1.00 55.35 C +ATOM 1526 CD GLN A 227 1.162 -39.623 -28.092 1.00 51.66 C +ATOM 1527 OE1 GLN A 227 0.803 -40.475 -27.295 1.00 50.22 O +ATOM 1528 NE2 GLN A 227 2.112 -38.812 -27.746 1.00 47.08 N +ATOM 1529 N ASP A 228 -0.828 -42.314 -32.781 1.00 61.99 N +ATOM 1530 CA ASP A 228 -1.210 -43.531 -33.477 1.00 66.09 C +ATOM 1531 C ASP A 228 -1.605 -44.638 -32.499 1.00 65.04 C +ATOM 1532 O ASP A 228 -0.874 -44.998 -31.568 1.00 61.52 O +ATOM 1533 CB ASP A 228 -0.068 -44.003 -34.393 1.00 63.80 C +ATOM 1534 CG ASP A 228 0.316 -42.960 -35.447 1.00 60.16 C +ATOM 1535 OD1 ASP A 228 -0.608 -42.296 -35.957 1.00 57.92 O +ATOM 1536 OD2 ASP A 228 1.540 -42.801 -35.671 1.00 56.38 O +ATOM 1537 N GLY A 229 -2.789 -45.171 -32.686 1.00 62.74 N +ATOM 1538 CA GLY A 229 -3.145 -46.434 -32.054 1.00 64.07 C +ATOM 1539 C GLY A 229 -2.181 -47.517 -32.532 1.00 64.13 C +ATOM 1540 O GLY A 229 -1.805 -47.537 -33.696 1.00 61.17 O +ATOM 1541 N LYS A 230 -1.747 -48.402 -31.619 1.00 60.06 N +ATOM 1542 CA LYS A 230 -0.871 -49.515 -31.996 1.00 67.20 C +ATOM 1543 C LYS A 230 -1.510 -50.307 -33.136 1.00 67.45 C +ATOM 1544 O LYS A 230 -2.705 -50.599 -33.067 1.00 65.95 O +ATOM 1545 CB LYS A 230 -0.619 -50.453 -30.801 1.00 64.84 C +ATOM 1546 CG LYS A 230 0.247 -49.804 -29.713 1.00 60.31 C +ATOM 1547 CD LYS A 230 0.510 -50.789 -28.580 1.00 58.33 C +ATOM 1548 CE LYS A 230 1.388 -50.144 -27.508 1.00 54.07 C +ATOM 1549 NZ LYS A 230 1.660 -51.068 -26.395 1.00 48.35 N +ATOM 1550 N ASP A 231 -0.684 -50.667 -34.105 1.00 65.52 N +ATOM 1551 CA ASP A 231 -1.112 -51.471 -35.248 1.00 69.59 C +ATOM 1552 C ASP A 231 -1.954 -52.669 -34.793 1.00 68.72 C +ATOM 1553 O ASP A 231 -1.639 -53.354 -33.810 1.00 63.85 O +ATOM 1554 CB ASP A 231 0.104 -51.953 -36.054 1.00 66.73 C +ATOM 1555 CG ASP A 231 0.940 -50.814 -36.641 1.00 63.30 C +ATOM 1556 OD1 ASP A 231 0.330 -49.770 -36.955 1.00 59.90 O +ATOM 1557 OD2 ASP A 231 2.164 -51.010 -36.731 1.00 57.90 O +ATOM 1558 N GLY A 232 -3.033 -52.906 -35.498 1.00 66.75 N +ATOM 1559 CA GLY A 232 -3.814 -54.127 -35.289 1.00 67.91 C +ATOM 1560 C GLY A 232 -2.930 -55.358 -35.541 1.00 67.96 C +ATOM 1561 O GLY A 232 -2.083 -55.350 -36.426 1.00 64.15 O +ATOM 1562 N LEU A 233 -3.100 -56.380 -34.720 1.00 61.31 N +ATOM 1563 CA LEU A 233 -2.352 -57.617 -34.920 1.00 67.76 C +ATOM 1564 C LEU A 233 -2.614 -58.160 -36.334 1.00 67.20 C +ATOM 1565 O LEU A 233 -3.767 -58.148 -36.776 1.00 66.03 O +ATOM 1566 CB LEU A 233 -2.742 -58.659 -33.857 1.00 66.22 C +ATOM 1567 CG LEU A 233 -2.282 -58.323 -32.430 1.00 61.90 C +ATOM 1568 CD1 LEU A 233 -2.914 -59.302 -31.439 1.00 58.80 C +ATOM 1569 CD2 LEU A 233 -0.765 -58.414 -32.268 1.00 57.67 C +ATOM 1570 N PRO A 234 -1.581 -58.665 -37.014 1.00 66.53 N +ATOM 1571 CA PRO A 234 -1.763 -59.293 -38.319 1.00 70.74 C +ATOM 1572 C PRO A 234 -2.867 -60.353 -38.279 1.00 68.75 C +ATOM 1573 O PRO A 234 -2.997 -61.098 -37.304 1.00 65.60 O +ATOM 1574 CB PRO A 234 -0.401 -59.902 -38.689 1.00 69.86 C +ATOM 1575 CG PRO A 234 0.595 -59.036 -37.908 1.00 66.18 C +ATOM 1576 CD PRO A 234 -0.165 -58.681 -36.640 1.00 67.88 C +ATOM 1577 N GLY A 235 -3.647 -60.405 -39.334 1.00 69.43 N +ATOM 1578 CA GLY A 235 -4.601 -61.500 -39.508 1.00 71.73 C +ATOM 1579 C GLY A 235 -3.868 -62.845 -39.515 1.00 71.37 C +ATOM 1580 O GLY A 235 -2.730 -62.929 -39.973 1.00 68.53 O +ATOM 1581 N LYS A 236 -4.482 -63.874 -38.956 1.00 69.15 N +ATOM 1582 CA LYS A 236 -3.888 -65.215 -38.991 1.00 75.52 C +ATOM 1583 C LYS A 236 -3.758 -65.672 -40.438 1.00 75.17 C +ATOM 1584 O LYS A 236 -4.710 -65.508 -41.203 1.00 73.52 O +ATOM 1585 CB LYS A 236 -4.726 -66.220 -38.187 1.00 71.92 C +ATOM 1586 CG LYS A 236 -4.693 -65.932 -36.688 1.00 66.90 C +ATOM 1587 CD LYS A 236 -5.486 -66.995 -35.920 1.00 63.05 C +ATOM 1588 CE LYS A 236 -5.434 -66.696 -34.416 1.00 59.28 C +ATOM 1589 NZ LYS A 236 -6.183 -67.693 -33.636 1.00 52.28 N +ATOM 1590 N ASP A 237 -2.617 -66.279 -40.755 1.00 71.92 N +ATOM 1591 CA ASP A 237 -2.379 -66.850 -42.072 1.00 75.45 C +ATOM 1592 C ASP A 237 -3.539 -67.769 -42.482 1.00 74.12 C +ATOM 1593 O ASP A 237 -4.116 -68.500 -41.667 1.00 68.22 O +ATOM 1594 CB ASP A 237 -1.035 -67.606 -42.095 1.00 71.66 C +ATOM 1595 CG ASP A 237 0.166 -66.711 -41.785 1.00 67.44 C +ATOM 1596 OD1 ASP A 237 0.091 -65.499 -42.101 1.00 63.42 O +ATOM 1597 OD2 ASP A 237 1.116 -67.229 -41.177 1.00 61.28 O +ATOM 1598 N GLY A 238 -3.899 -67.685 -43.752 1.00 77.61 N +ATOM 1599 CA GLY A 238 -4.868 -68.615 -44.321 1.00 78.19 C +ATOM 1600 C GLY A 238 -4.357 -70.054 -44.192 1.00 77.92 C +ATOM 1601 O GLY A 238 -3.153 -70.299 -44.260 1.00 74.74 O +ATOM 1602 N LYS A 239 -5.242 -70.992 -43.959 1.00 70.37 N +ATOM 1603 CA LYS A 239 -4.845 -72.410 -43.936 1.00 76.83 C +ATOM 1604 C LYS A 239 -4.353 -72.811 -45.319 1.00 75.99 C +ATOM 1605 O LYS A 239 -5.027 -72.510 -46.307 1.00 74.38 O +ATOM 1606 CB LYS A 239 -6.002 -73.310 -43.501 1.00 73.13 C +ATOM 1607 CG LYS A 239 -6.388 -73.117 -42.032 1.00 68.17 C +ATOM 1608 CD LYS A 239 -7.515 -74.080 -41.663 1.00 64.62 C +ATOM 1609 CE LYS A 239 -7.929 -73.910 -40.199 1.00 60.63 C +ATOM 1610 NZ LYS A 239 -9.035 -74.830 -39.845 1.00 53.95 N +ATOM 1611 N ASP A 240 -3.228 -73.521 -45.337 1.00 75.54 N +ATOM 1612 CA ASP A 240 -2.697 -74.069 -46.582 1.00 77.37 C +ATOM 1613 C ASP A 240 -3.773 -74.843 -47.341 1.00 75.93 C +ATOM 1614 O ASP A 240 -4.580 -75.573 -46.759 1.00 69.67 O +ATOM 1615 CB ASP A 240 -1.487 -74.977 -46.302 1.00 73.45 C +ATOM 1616 CG ASP A 240 -0.331 -74.253 -45.603 1.00 69.75 C +ATOM 1617 OD1 ASP A 240 -0.214 -73.018 -45.797 1.00 65.95 O +ATOM 1618 OD2 ASP A 240 0.378 -74.931 -44.835 1.00 63.25 O +ATOM 1619 N GLY A 241 -3.762 -74.688 -48.664 1.00 77.98 N +ATOM 1620 CA GLY A 241 -4.623 -75.491 -49.529 1.00 77.31 C +ATOM 1621 C GLY A 241 -4.290 -76.977 -49.386 1.00 77.17 C +ATOM 1622 O GLY A 241 -3.134 -77.348 -49.207 1.00 73.64 O +ATOM 1623 N LEU A 242 -5.285 -77.784 -49.440 1.00 67.92 N +ATOM 1624 CA LEU A 242 -5.060 -79.224 -49.377 1.00 72.98 C +ATOM 1625 C LEU A 242 -4.169 -79.671 -50.558 1.00 72.10 C +ATOM 1626 O LEU A 242 -4.400 -79.216 -51.683 1.00 70.63 O +ATOM 1627 CB LEU A 242 -6.396 -79.986 -49.382 1.00 70.21 C +ATOM 1628 CG LEU A 242 -7.244 -79.807 -48.108 1.00 65.13 C +ATOM 1629 CD1 LEU A 242 -8.615 -80.432 -48.315 1.00 61.84 C +ATOM 1630 CD2 LEU A 242 -6.596 -80.458 -46.890 1.00 60.95 C +ATOM 1631 N PRO A 243 -3.194 -80.561 -50.320 1.00 70.83 N +ATOM 1632 CA PRO A 243 -2.370 -81.101 -51.392 1.00 73.14 C +ATOM 1633 C PRO A 243 -3.238 -81.699 -52.512 1.00 71.17 C +ATOM 1634 O PRO A 243 -4.238 -82.374 -52.244 1.00 67.50 O +ATOM 1635 CB PRO A 243 -1.463 -82.154 -50.761 1.00 70.99 C +ATOM 1636 CG PRO A 243 -1.363 -81.715 -49.293 1.00 67.04 C +ATOM 1637 CD PRO A 243 -2.726 -81.098 -49.024 1.00 68.50 C +ATOM 1638 N GLY A 244 -2.835 -81.470 -53.749 1.00 76.90 N +ATOM 1639 CA GLY A 244 -3.466 -82.134 -54.889 1.00 76.00 C +ATOM 1640 C GLY A 244 -3.328 -83.658 -54.778 1.00 75.17 C +ATOM 1641 O GLY A 244 -2.333 -84.163 -54.266 1.00 73.22 O +ATOM 1642 N LYS A 245 -4.319 -84.379 -55.229 1.00 72.45 N +ATOM 1643 CA LYS A 245 -4.240 -85.849 -55.234 1.00 75.53 C +ATOM 1644 C LYS A 245 -3.150 -86.295 -56.196 1.00 75.27 C +ATOM 1645 O LYS A 245 -3.116 -85.837 -57.335 1.00 73.42 O +ATOM 1646 CB LYS A 245 -5.586 -86.472 -55.624 1.00 71.66 C +ATOM 1647 CG LYS A 245 -6.666 -86.245 -54.562 1.00 66.04 C +ATOM 1648 CD LYS A 245 -8.009 -86.834 -55.008 1.00 63.26 C +ATOM 1649 CE LYS A 245 -9.089 -86.522 -53.967 1.00 59.03 C +ATOM 1650 NZ LYS A 245 -10.447 -86.806 -54.471 1.00 52.59 N +ATOM 1651 N ASP A 246 -2.319 -87.235 -55.736 1.00 75.02 N +ATOM 1652 CA ASP A 246 -1.267 -87.817 -56.555 1.00 75.59 C +ATOM 1653 C ASP A 246 -1.832 -88.342 -57.879 1.00 73.94 C +ATOM 1654 O ASP A 246 -2.896 -88.966 -57.937 1.00 69.30 O +ATOM 1655 CB ASP A 246 -0.531 -88.933 -55.799 1.00 71.65 C +ATOM 1656 CG ASP A 246 0.177 -88.462 -54.532 1.00 66.40 C +ATOM 1657 OD1 ASP A 246 0.577 -87.278 -54.496 1.00 63.16 O +ATOM 1658 OD2 ASP A 246 0.274 -89.282 -53.597 1.00 60.95 O +ATOM 1659 N GLY A 247 -1.080 -88.099 -58.956 1.00 79.34 N +ATOM 1660 CA GLY A 247 -1.395 -88.683 -60.254 1.00 78.05 C +ATOM 1661 C GLY A 247 -1.346 -90.212 -60.195 1.00 78.00 C +ATOM 1662 O GLY A 247 -0.505 -90.793 -59.513 1.00 75.98 O +ATOM 1663 N LYS A 248 -2.233 -90.856 -60.898 1.00 76.37 N +ATOM 1664 CA LYS A 248 -2.201 -92.326 -60.953 1.00 78.60 C +ATOM 1665 C LYS A 248 -0.919 -92.785 -61.652 1.00 78.96 C +ATOM 1666 O LYS A 248 -0.610 -92.290 -62.736 1.00 77.97 O +ATOM 1667 CB LYS A 248 -3.427 -92.886 -61.684 1.00 74.33 C +ATOM 1668 CG LYS A 248 -4.720 -92.671 -60.898 1.00 67.55 C +ATOM 1669 CD LYS A 248 -5.906 -93.303 -61.635 1.00 65.04 C +ATOM 1670 CE LYS A 248 -7.201 -93.085 -60.837 1.00 60.58 C +ATOM 1671 NZ LYS A 248 -8.359 -93.674 -61.515 1.00 54.30 N +ATOM 1672 N ASP A 249 -0.245 -93.764 -61.066 1.00 74.91 N +ATOM 1673 CA ASP A 249 0.935 -94.370 -61.658 1.00 76.99 C +ATOM 1674 C ASP A 249 0.665 -94.828 -63.096 1.00 74.91 C +ATOM 1675 O ASP A 249 -0.370 -95.420 -63.416 1.00 70.30 O +ATOM 1676 CB ASP A 249 1.414 -95.565 -60.810 1.00 73.53 C +ATOM 1677 CG ASP A 249 1.937 -95.171 -59.432 1.00 68.49 C +ATOM 1678 OD1 ASP A 249 2.480 -94.053 -59.322 1.00 65.11 O +ATOM 1679 OD2 ASP A 249 1.794 -96.007 -58.515 1.00 62.91 O +ATOM 1680 N GLY A 250 1.656 -94.586 -63.983 1.00 77.99 N +ATOM 1681 CA GLY A 250 1.609 -95.070 -65.354 1.00 76.73 C +ATOM 1682 C GLY A 250 1.601 -96.598 -65.399 1.00 76.30 C +ATOM 1683 O GLY A 250 2.331 -97.254 -64.663 1.00 73.87 O +ATOM 1684 N GLN A 251 0.808 -97.145 -66.255 1.00 71.63 N +ATOM 1685 CA GLN A 251 0.791 -98.601 -66.406 1.00 74.01 C +ATOM 1686 C GLN A 251 2.145 -99.116 -66.924 1.00 73.03 C +ATOM 1687 O GLN A 251 2.696 -98.538 -67.857 1.00 70.74 O +ATOM 1688 CB GLN A 251 -0.336 -99.063 -67.339 1.00 70.85 C +ATOM 1689 CG GLN A 251 -1.726 -98.918 -66.693 1.00 64.80 C +ATOM 1690 CD GLN A 251 -2.841 -99.548 -67.516 1.00 60.64 C +ATOM 1691 OE1 GLN A 251 -2.711 -99.943 -68.659 1.00 59.16 O +ATOM 1692 NE2 GLN A 251 -4.029 -99.680 -66.951 1.00 54.59 N +ATOM 1693 N PRO A 252 2.669-100.207 -66.358 1.00 70.64 N +ATOM 1694 CA PRO A 252 3.903-100.804 -66.837 1.00 74.09 C +ATOM 1695 C PRO A 252 3.800-101.190 -68.319 1.00 71.21 C +ATOM 1696 O PRO A 252 2.812-101.774 -68.749 1.00 67.20 O +ATOM 1697 CB PRO A 252 4.166-102.030 -65.953 1.00 72.44 C +ATOM 1698 CG PRO A 252 3.380-101.743 -64.677 1.00 66.51 C +ATOM 1699 CD PRO A 252 2.191-100.925 -65.162 1.00 67.90 C +ATOM 1700 N GLY A 253 4.878-100.886 -69.060 1.00 72.90 N +ATOM 1701 CA GLY A 253 4.971-101.283 -70.465 1.00 72.74 C +ATOM 1702 C GLY A 253 4.889-102.808 -70.638 1.00 71.49 C +ATOM 1703 O GLY A 253 5.458-103.554 -69.849 1.00 69.03 O +ATOM 1704 N LYS A 254 4.208-103.256 -71.658 1.00 66.96 N +ATOM 1705 CA LYS A 254 4.123-104.697 -71.955 1.00 72.91 C +ATOM 1706 C LYS A 254 5.515-105.241 -72.290 1.00 70.74 C +ATOM 1707 O LYS A 254 6.235-104.600 -73.057 1.00 69.25 O +ATOM 1708 CB LYS A 254 3.153-104.972 -73.108 1.00 69.07 C +ATOM 1709 CG LYS A 254 1.694-104.725 -72.722 1.00 62.37 C +ATOM 1710 CD LYS A 254 0.746-105.066 -73.883 1.00 59.63 C +ATOM 1711 CE LYS A 254 -0.709-104.799 -73.472 1.00 56.02 C +ATOM 1712 NZ LYS A 254 -1.660-105.048 -74.578 1.00 49.36 N +ATOM 1713 N PRO A 255 5.902-106.428 -71.782 1.00 65.98 N +ATOM 1714 CA PRO A 255 7.164-107.063 -72.136 1.00 70.59 C +ATOM 1715 C PRO A 255 7.264-107.265 -73.649 1.00 66.10 C +ATOM 1716 O PRO A 255 6.315-107.741 -74.275 1.00 62.07 O +ATOM 1717 CB PRO A 255 7.206-108.389 -71.379 1.00 69.98 C +ATOM 1718 CG PRO A 255 6.182-108.223 -70.258 1.00 64.96 C +ATOM 1719 CD PRO A 255 5.158-107.261 -70.829 1.00 66.80 C +ATOM 1720 N GLY A 256 8.438-106.943 -74.197 1.00 70.11 N +ATOM 1721 CA GLY A 256 8.741-107.227 -75.593 1.00 70.44 C +ATOM 1722 C GLY A 256 8.720-108.743 -75.869 1.00 66.18 C +ATOM 1723 O GLY A 256 9.210-109.522 -75.063 1.00 62.99 O +ATOM 1724 N LYS A 257 8.146-109.167 -77.000 1.00 62.76 N +ATOM 1725 CA LYS A 257 8.239-110.563 -77.478 1.00 69.59 C +ATOM 1726 C LYS A 257 9.592-110.758 -78.144 1.00 63.94 C +ATOM 1727 O LYS A 257 9.981-109.934 -78.966 1.00 59.48 O +ATOM 1728 CB LYS A 257 7.096-110.892 -78.446 1.00 66.15 C +ATOM 1729 CG LYS A 257 5.729-110.987 -77.754 1.00 58.75 C +ATOM 1730 CD LYS A 257 4.661-111.446 -78.754 1.00 56.01 C +ATOM 1731 CE LYS A 257 3.300-111.636 -78.055 1.00 53.22 C +ATOM 1732 NZ LYS A 257 2.284-112.161 -78.975 1.00 46.51 N +ATOM 1733 N TYR A 258 10.285-111.866 -77.776 1.00 71.39 N +ATOM 1734 CA TYR A 258 11.474-112.387 -78.449 1.00 73.31 C +ATOM 1735 C TYR A 258 11.142-112.900 -79.839 1.00 63.01 C +ATOM 1736 O TYR A 258 10.015-113.413 -80.032 1.00 55.38 O +ATOM 1737 CB TYR A 258 12.094-113.516 -77.607 1.00 66.52 C +ATOM 1738 CG TYR A 258 12.841-113.056 -76.366 1.00 57.60 C +ATOM 1739 CD1 TYR A 258 14.196-112.698 -76.468 1.00 53.04 C +ATOM 1740 CD2 TYR A 258 12.203-112.991 -75.106 1.00 51.81 C +ATOM 1741 CE1 TYR A 258 14.910-112.284 -75.333 1.00 47.41 C +ATOM 1742 CE2 TYR A 258 12.907-112.560 -73.971 1.00 57.66 C +ATOM 1743 CZ TYR A 258 14.260-112.213 -74.085 1.00 49.84 C +ATOM 1744 OH TYR A 258 14.945-111.812 -72.993 1.00 52.36 O +ATOM 1745 OXT TYR A 258 12.084-112.775 -80.668 1.00 49.70 O +TER 1746 TYR A 258 +END diff --git a/protein_pdb_469.txt b/protein_pdb_469.txt new file mode 100644 index 0000000000000000000000000000000000000000..ef1cf281fcb87923a85c44e135a6f74c916cdc42 --- /dev/null +++ b/protein_pdb_469.txt @@ -0,0 +1,1748 @@ +ATOM 1 N GLY A 1 15.132-135.163 -46.239 1.00 46.61 N +ATOM 2 CA GLY A 1 15.233-134.163 -45.165 1.00 55.18 C +ATOM 3 C GLY A 1 13.945-133.371 -45.160 1.00 53.68 C +ATOM 4 O GLY A 1 13.447-133.091 -46.239 1.00 51.63 O +ATOM 5 N GLN A 2 13.364-133.137 -43.970 1.00 57.70 N +ATOM 6 CA GLN A 2 12.167-132.303 -43.836 1.00 63.70 C +ATOM 7 C GLN A 2 12.598-130.842 -43.723 1.00 61.23 C +ATOM 8 O GLN A 2 13.402-130.514 -42.850 1.00 57.62 O +ATOM 9 CB GLN A 2 11.358-132.732 -42.595 1.00 61.58 C +ATOM 10 CG GLN A 2 10.692-134.104 -42.785 1.00 55.86 C +ATOM 11 CD GLN A 2 9.977-134.596 -41.521 1.00 50.44 C +ATOM 12 OE1 GLN A 2 9.966-133.988 -40.472 1.00 49.16 O +ATOM 13 NE2 GLN A 2 9.350-135.751 -41.564 1.00 46.01 N +ATOM 14 N ASP A 3 12.070-129.967 -44.603 1.00 53.35 N +ATOM 15 CA ASP A 3 12.327-128.529 -44.587 1.00 62.67 C +ATOM 16 C ASP A 3 11.693-127.884 -43.346 1.00 59.33 C +ATOM 17 O ASP A 3 10.526-128.103 -43.020 1.00 54.66 O +ATOM 18 CB ASP A 3 11.808-127.895 -45.890 1.00 60.11 C +ATOM 19 CG ASP A 3 12.599-128.364 -47.109 1.00 53.37 C +ATOM 20 OD1 ASP A 3 13.840-128.513 -46.976 1.00 49.54 O +ATOM 21 OD2 ASP A 3 11.968-128.602 -48.156 1.00 46.59 O +ATOM 22 N GLY A 4 12.493-127.109 -42.609 1.00 54.65 N +ATOM 23 CA GLY A 4 12.077-126.388 -41.409 1.00 58.45 C +ATOM 24 C GLY A 4 11.036-125.312 -41.717 1.00 57.23 C +ATOM 25 O GLY A 4 11.170-124.555 -42.674 1.00 54.40 O +ATOM 26 N ARG A 5 9.977-125.235 -40.891 1.00 54.67 N +ATOM 27 CA ARG A 5 8.935-124.202 -40.989 1.00 62.33 C +ATOM 28 C ARG A 5 9.518-122.844 -40.608 1.00 59.42 C +ATOM 29 O ARG A 5 10.189-122.720 -39.587 1.00 58.23 O +ATOM 30 CB ARG A 5 7.738-124.541 -40.087 1.00 60.79 C +ATOM 31 CG ARG A 5 7.067-125.880 -40.451 1.00 55.22 C +ATOM 32 CD ARG A 5 5.859-126.128 -39.543 1.00 52.45 C +ATOM 33 NE ARG A 5 5.426-127.541 -39.593 1.00 50.55 N +ATOM 34 CZ ARG A 5 4.434-128.080 -38.911 1.00 44.87 C +ATOM 35 NH1 ARG A 5 3.665-127.365 -38.138 1.00 45.51 N +ATOM 36 NH2 ARG A 5 4.199-129.362 -38.984 1.00 44.94 N +ATOM 37 N ASN A 6 9.244-121.862 -41.411 1.00 59.67 N +ATOM 38 CA ASN A 6 9.544-120.475 -41.063 1.00 67.03 C +ATOM 39 C ASN A 6 8.799-120.078 -39.783 1.00 63.98 C +ATOM 40 O ASN A 6 7.609-120.348 -39.640 1.00 59.11 O +ATOM 41 CB ASN A 6 9.171-119.542 -42.236 1.00 62.56 C +ATOM 42 CG ASN A 6 10.184-119.545 -43.362 1.00 56.29 C +ATOM 43 OD1 ASN A 6 11.330-119.916 -43.207 1.00 52.84 O +ATOM 44 ND2 ASN A 6 9.805-119.095 -44.542 1.00 49.10 N +ATOM 45 N GLY A 7 9.498-119.426 -38.834 1.00 58.06 N +ATOM 46 CA GLY A 7 8.910-118.921 -37.596 1.00 61.60 C +ATOM 47 C GLY A 7 7.846-117.853 -37.857 1.00 61.72 C +ATOM 48 O GLY A 7 7.989-117.029 -38.760 1.00 58.78 O +ATOM 49 N GLU A 8 6.780-117.883 -37.067 1.00 53.32 N +ATOM 50 CA GLU A 8 5.689-116.917 -37.144 1.00 61.30 C +ATOM 51 C GLU A 8 6.171-115.510 -36.778 1.00 58.34 C +ATOM 52 O GLU A 8 7.022-115.306 -35.900 1.00 56.87 O +ATOM 53 CB GLU A 8 4.504-117.354 -36.260 1.00 60.31 C +ATOM 54 CG GLU A 8 3.878-118.662 -36.772 1.00 55.36 C +ATOM 55 CD GLU A 8 2.628-119.110 -35.999 1.00 51.61 C +ATOM 56 OE1 GLU A 8 1.887-119.955 -36.558 1.00 49.43 O +ATOM 57 OE2 GLU A 8 2.448-118.643 -34.851 1.00 49.20 O +ATOM 58 N ARG A 9 5.660-114.514 -37.486 1.00 59.68 N +ATOM 59 CA ARG A 9 5.953-113.095 -37.228 1.00 66.07 C +ATOM 60 C ARG A 9 5.387-112.706 -35.872 1.00 62.15 C +ATOM 61 O ARG A 9 4.216-112.917 -35.613 1.00 58.09 O +ATOM 62 CB ARG A 9 5.361-112.255 -38.364 1.00 63.07 C +ATOM 63 CG ARG A 9 5.737-110.768 -38.263 1.00 57.59 C +ATOM 64 CD ARG A 9 5.149-110.015 -39.463 1.00 56.96 C +ATOM 65 NE ARG A 9 5.550-108.590 -39.476 1.00 53.44 N +ATOM 66 CZ ARG A 9 5.245-107.700 -40.396 1.00 48.98 C +ATOM 67 NH1 ARG A 9 4.508-108.010 -41.427 1.00 49.09 N +ATOM 68 NH2 ARG A 9 5.680-106.474 -40.295 1.00 47.94 N +ATOM 69 N GLY A 10 6.213-112.124 -34.981 1.00 59.08 N +ATOM 70 CA GLY A 10 5.787-111.688 -33.656 1.00 62.68 C +ATOM 71 C GLY A 10 4.641-110.666 -33.720 1.00 62.81 C +ATOM 72 O GLY A 10 4.593-109.829 -34.621 1.00 60.99 O +ATOM 73 N GLU A 11 3.710-110.737 -32.743 1.00 53.78 N +ATOM 74 CA GLU A 11 2.559-109.852 -32.632 1.00 62.06 C +ATOM 75 C GLU A 11 2.989-108.400 -32.402 1.00 58.61 C +ATOM 76 O GLU A 11 3.981-108.100 -31.730 1.00 57.32 O +ATOM 77 CB GLU A 11 1.604-110.305 -31.516 1.00 61.45 C +ATOM 78 CG GLU A 11 0.960-111.670 -31.802 1.00 56.18 C +ATOM 79 CD GLU A 11 -0.128-112.059 -30.781 1.00 53.13 C +ATOM 80 OE1 GLU A 11 -0.959-112.936 -31.129 1.00 50.43 O +ATOM 81 OE2 GLU A 11 -0.126-111.481 -29.665 1.00 50.89 O +ATOM 82 N GLN A 12 2.239-107.458 -32.971 1.00 62.75 N +ATOM 83 CA GLN A 12 2.463-106.029 -32.795 1.00 69.48 C +ATOM 84 C GLN A 12 2.200-105.633 -31.342 1.00 66.17 C +ATOM 85 O GLN A 12 1.159-105.952 -30.779 1.00 61.20 O +ATOM 86 CB GLN A 12 1.575-105.255 -33.791 1.00 68.61 C +ATOM 87 CG GLN A 12 1.825-103.741 -33.760 1.00 64.68 C +ATOM 88 CD GLN A 12 1.040-102.984 -34.839 1.00 60.88 C +ATOM 89 OE1 GLN A 12 0.362-103.533 -35.697 1.00 59.26 O +ATOM 90 NE2 GLN A 12 1.122-101.666 -34.856 1.00 55.57 N +ATOM 91 N GLY A 13 3.133-104.936 -30.704 1.00 59.67 N +ATOM 92 CA GLY A 13 2.986-104.488 -29.323 1.00 63.86 C +ATOM 93 C GLY A 13 1.784-103.556 -29.132 1.00 63.53 C +ATOM 94 O GLY A 13 1.400-102.845 -30.068 1.00 61.75 O +ATOM 95 N PRO A 14 1.172-103.510 -27.916 1.00 55.57 N +ATOM 96 CA PRO A 14 -0.008-102.698 -27.637 1.00 62.04 C +ATOM 97 C PRO A 14 0.297-101.199 -27.776 1.00 60.14 C +ATOM 98 O PRO A 14 1.398-100.730 -27.461 1.00 59.06 O +ATOM 99 CB PRO A 14 -0.453-103.067 -26.212 1.00 62.44 C +ATOM 100 CG PRO A 14 0.841-103.542 -25.554 1.00 59.73 C +ATOM 101 CD PRO A 14 1.595-104.210 -26.704 1.00 59.78 C +ATOM 102 N THR A 15 -0.706-100.455 -28.200 1.00 58.65 N +ATOM 103 CA THR A 15 -0.635 -98.989 -28.264 1.00 63.63 C +ATOM 104 C THR A 15 -0.379 -98.415 -26.869 1.00 59.76 C +ATOM 105 O THR A 15 -1.040 -98.799 -25.902 1.00 57.18 O +ATOM 106 CB THR A 15 -1.940 -98.405 -28.845 1.00 63.84 C +ATOM 107 OG1 THR A 15 -2.219 -99.008 -30.083 1.00 61.53 O +ATOM 108 CG2 THR A 15 -1.871 -96.901 -29.094 1.00 60.53 C +ATOM 109 N GLY A 16 0.566 -97.500 -26.744 1.00 59.67 N +ATOM 110 CA GLY A 16 0.895 -96.849 -25.468 1.00 63.74 C +ATOM 111 C GLY A 16 -0.282 -96.072 -24.878 1.00 63.24 C +ATOM 112 O GLY A 16 -1.138 -95.586 -25.624 1.00 61.69 O +ATOM 113 N PRO A 17 -0.362 -95.919 -23.541 1.00 56.28 N +ATOM 114 CA PRO A 17 -1.451 -95.201 -22.884 1.00 62.00 C +ATOM 115 C PRO A 17 -1.468 -93.724 -23.294 1.00 59.42 C +ATOM 116 O PRO A 17 -0.425 -93.104 -23.517 1.00 58.21 O +ATOM 117 CB PRO A 17 -1.223 -95.380 -21.379 1.00 62.30 C +ATOM 118 CG PRO A 17 0.282 -95.588 -21.265 1.00 60.65 C +ATOM 119 CD PRO A 17 0.624 -96.354 -22.552 1.00 61.15 C +ATOM 120 N THR A 18 -2.678 -93.156 -23.348 1.00 58.95 N +ATOM 121 CA THR A 18 -2.870 -91.717 -23.562 1.00 63.90 C +ATOM 122 C THR A 18 -2.140 -90.920 -22.484 1.00 59.78 C +ATOM 123 O THR A 18 -2.255 -91.228 -21.298 1.00 57.03 O +ATOM 124 CB THR A 18 -4.364 -91.355 -23.570 1.00 64.14 C +ATOM 125 OG1 THR A 18 -5.049 -92.170 -24.497 1.00 62.73 O +ATOM 126 CG2 THR A 18 -4.642 -89.904 -23.958 1.00 61.51 C +ATOM 127 N GLY A 19 -1.401 -89.894 -22.861 1.00 60.75 N +ATOM 128 CA GLY A 19 -0.685 -89.024 -21.926 1.00 64.22 C +ATOM 129 C GLY A 19 -1.620 -88.343 -20.919 1.00 63.80 C +ATOM 130 O GLY A 19 -2.784 -88.101 -21.231 1.00 62.28 O +ATOM 131 N PRO A 20 -1.146 -88.031 -19.703 1.00 58.09 N +ATOM 132 CA PRO A 20 -1.956 -87.366 -18.689 1.00 63.10 C +ATOM 133 C PRO A 20 -2.414 -85.991 -19.169 1.00 59.86 C +ATOM 134 O PRO A 20 -1.715 -85.307 -19.923 1.00 58.61 O +ATOM 135 CB PRO A 20 -1.071 -87.274 -17.440 1.00 63.32 C +ATOM 136 CG PRO A 20 0.342 -87.273 -18.000 1.00 61.84 C +ATOM 137 CD PRO A 20 0.234 -88.173 -19.234 1.00 62.57 C +ATOM 138 N ALA A 21 -3.599 -85.569 -18.700 1.00 62.96 N +ATOM 139 CA ALA A 21 -4.097 -84.223 -18.964 1.00 67.71 C +ATOM 140 C ALA A 21 -3.103 -83.159 -18.477 1.00 64.78 C +ATOM 141 O ALA A 21 -2.504 -83.300 -17.406 1.00 61.11 O +ATOM 142 CB ALA A 21 -5.476 -84.051 -18.303 1.00 66.24 C +ATOM 143 N GLY A 22 -2.933 -82.091 -19.238 1.00 60.57 N +ATOM 144 CA GLY A 22 -2.057 -80.983 -18.880 1.00 64.17 C +ATOM 145 C GLY A 22 -2.455 -80.333 -17.548 1.00 64.63 C +ATOM 146 O GLY A 22 -3.632 -80.353 -17.175 1.00 62.34 O +ATOM 147 N PRO A 23 -1.509 -79.776 -16.808 1.00 59.59 N +ATOM 148 CA PRO A 23 -1.797 -79.126 -15.538 1.00 64.37 C +ATOM 149 C PRO A 23 -2.757 -77.947 -15.732 1.00 61.77 C +ATOM 150 O PRO A 23 -2.723 -77.246 -16.745 1.00 59.77 O +ATOM 151 CB PRO A 23 -0.443 -78.672 -14.974 1.00 63.33 C +ATOM 152 CG PRO A 23 0.417 -78.509 -16.225 1.00 60.85 C +ATOM 153 CD PRO A 23 -0.101 -79.599 -17.160 1.00 61.99 C +ATOM 154 N ARG A 24 -3.630 -77.715 -14.723 1.00 57.35 N +ATOM 155 CA ARG A 24 -4.540 -76.564 -14.709 1.00 62.36 C +ATOM 156 C ARG A 24 -3.742 -75.266 -14.782 1.00 58.99 C +ATOM 157 O ARG A 24 -2.770 -75.101 -14.049 1.00 56.56 O +ATOM 158 CB ARG A 24 -5.414 -76.635 -13.451 1.00 61.61 C +ATOM 159 CG ARG A 24 -6.485 -75.536 -13.408 1.00 58.49 C +ATOM 160 CD ARG A 24 -7.367 -75.700 -12.171 1.00 59.09 C +ATOM 161 NE ARG A 24 -8.406 -74.666 -12.089 1.00 56.78 N +ATOM 162 CZ ARG A 24 -9.351 -74.576 -11.178 1.00 51.18 C +ATOM 163 NH1 ARG A 24 -9.459 -75.444 -10.204 1.00 51.88 N +ATOM 164 NH2 ARG A 24 -10.222 -73.608 -11.221 1.00 49.78 N +ATOM 165 N GLY A 25 -4.178 -74.351 -15.620 1.00 59.39 N +ATOM 166 CA GLY A 25 -3.562 -73.028 -15.749 1.00 61.69 C +ATOM 167 C GLY A 25 -3.460 -72.297 -14.402 1.00 62.00 C +ATOM 168 O GLY A 25 -4.351 -72.406 -13.556 1.00 59.02 O +ATOM 169 N LEU A 26 -2.356 -71.596 -14.190 1.00 56.51 N +ATOM 170 CA LEU A 26 -2.146 -70.814 -12.974 1.00 61.35 C +ATOM 171 C LEU A 26 -3.203 -69.709 -12.865 1.00 59.94 C +ATOM 172 O LEU A 26 -3.604 -69.100 -13.852 1.00 58.28 O +ATOM 173 CB LEU A 26 -0.719 -70.223 -12.943 1.00 60.00 C +ATOM 174 CG LEU A 26 0.412 -71.275 -12.858 1.00 55.88 C +ATOM 175 CD1 LEU A 26 1.773 -70.580 -12.949 1.00 54.02 C +ATOM 176 CD2 LEU A 26 0.373 -72.070 -11.557 1.00 52.57 C +ATOM 177 N GLN A 27 -3.642 -69.447 -11.624 1.00 58.20 N +ATOM 178 CA GLN A 27 -4.542 -68.332 -11.346 1.00 62.00 C +ATOM 179 C GLN A 27 -3.882 -67.017 -11.787 1.00 58.98 C +ATOM 180 O GLN A 27 -2.710 -66.785 -11.507 1.00 56.18 O +ATOM 181 CB GLN A 27 -4.907 -68.337 -9.860 1.00 61.14 C +ATOM 182 CG GLN A 27 -5.952 -67.260 -9.494 1.00 57.89 C +ATOM 183 CD GLN A 27 -6.412 -67.350 -8.036 1.00 55.47 C +ATOM 184 OE1 GLN A 27 -6.074 -68.247 -7.279 1.00 54.33 O +ATOM 185 NE2 GLN A 27 -7.222 -66.422 -7.578 1.00 51.19 N +ATOM 186 N GLY A 28 -4.649 -66.165 -12.456 1.00 58.20 N +ATOM 187 CA GLY A 28 -4.169 -64.856 -12.881 1.00 60.50 C +ATOM 188 C GLY A 28 -3.656 -64.032 -11.697 1.00 60.54 C +ATOM 189 O GLY A 28 -4.242 -64.056 -10.614 1.00 58.01 O +ATOM 190 N LEU A 29 -2.560 -63.331 -11.907 1.00 57.74 N +ATOM 191 CA LEU A 29 -1.986 -62.458 -10.877 1.00 63.09 C +ATOM 192 C LEU A 29 -2.992 -61.367 -10.506 1.00 62.73 C +ATOM 193 O LEU A 29 -3.737 -60.856 -11.340 1.00 61.17 O +ATOM 194 CB LEU A 29 -0.652 -61.853 -11.361 1.00 60.77 C +ATOM 195 CG LEU A 29 0.481 -62.875 -11.578 1.00 56.22 C +ATOM 196 CD1 LEU A 29 1.711 -62.180 -12.160 1.00 54.06 C +ATOM 197 CD2 LEU A 29 0.897 -63.569 -10.280 1.00 52.02 C +ATOM 198 N GLN A 30 -3.008 -61.011 -9.215 1.00 58.84 N +ATOM 199 CA GLN A 30 -3.805 -59.886 -8.747 1.00 63.33 C +ATOM 200 C GLN A 30 -3.350 -58.616 -9.475 1.00 61.09 C +ATOM 201 O GLN A 30 -2.155 -58.370 -9.601 1.00 57.88 O +ATOM 202 CB GLN A 30 -3.670 -59.777 -7.219 1.00 62.00 C +ATOM 203 CG GLN A 30 -4.561 -58.666 -6.627 1.00 58.61 C +ATOM 204 CD GLN A 30 -4.536 -58.640 -5.103 1.00 56.30 C +ATOM 205 OE1 GLN A 30 -3.976 -59.479 -4.421 1.00 54.99 O +ATOM 206 NE2 GLN A 30 -5.174 -57.662 -4.478 1.00 51.85 N +ATOM 207 N GLY A 31 -4.319 -57.832 -9.950 1.00 57.04 N +ATOM 208 CA GLY A 31 -4.028 -56.551 -10.592 1.00 59.64 C +ATOM 209 C GLY A 31 -3.207 -55.648 -9.668 1.00 60.41 C +ATOM 210 O GLY A 31 -3.421 -55.638 -8.454 1.00 58.29 O +ATOM 211 N LEU A 32 -2.261 -54.925 -10.246 1.00 58.91 N +ATOM 212 CA LEU A 32 -1.450 -53.970 -9.495 1.00 64.15 C +ATOM 213 C LEU A 32 -2.349 -52.907 -8.851 1.00 64.44 C +ATOM 214 O LEU A 32 -3.363 -52.497 -9.418 1.00 62.79 O +ATOM 215 CB LEU A 32 -0.385 -53.332 -10.408 1.00 61.80 C +ATOM 216 CG LEU A 32 0.666 -54.319 -10.959 1.00 57.14 C +ATOM 217 CD1 LEU A 32 1.599 -53.605 -11.935 1.00 54.75 C +ATOM 218 CD2 LEU A 32 1.512 -54.946 -9.853 1.00 53.18 C +ATOM 219 N GLN A 33 -1.981 -52.494 -7.642 1.00 63.62 N +ATOM 220 CA GLN A 33 -2.658 -51.380 -6.984 1.00 68.13 C +ATOM 221 C GLN A 33 -2.512 -50.131 -7.854 1.00 66.07 C +ATOM 222 O GLN A 33 -1.425 -49.859 -8.360 1.00 62.64 O +ATOM 223 CB GLN A 33 -2.067 -51.193 -5.578 1.00 65.80 C +ATOM 224 CG GLN A 33 -2.790 -50.095 -4.771 1.00 61.59 C +ATOM 225 CD GLN A 33 -2.305 -49.998 -3.324 1.00 58.87 C +ATOM 226 OE1 GLN A 33 -1.489 -50.753 -2.837 1.00 57.88 O +ATOM 227 NE2 GLN A 33 -2.808 -49.046 -2.564 1.00 54.94 N +ATOM 228 N GLY A 34 -3.605 -49.391 -8.040 1.00 61.11 N +ATOM 229 CA GLY A 34 -3.576 -48.125 -8.762 1.00 63.91 C +ATOM 230 C GLY A 34 -2.574 -47.150 -8.139 1.00 66.30 C +ATOM 231 O GLY A 34 -2.375 -47.144 -6.924 1.00 64.05 O +ATOM 232 N GLU A 35 -1.925 -46.357 -8.976 1.00 59.23 N +ATOM 233 CA GLU A 35 -1.003 -45.330 -8.497 1.00 66.03 C +ATOM 234 C GLU A 35 -1.744 -44.339 -7.586 1.00 65.84 C +ATOM 235 O GLU A 35 -2.924 -44.036 -7.773 1.00 65.04 O +ATOM 236 CB GLU A 35 -0.319 -44.597 -9.663 1.00 63.44 C +ATOM 237 CG GLU A 35 0.603 -45.545 -10.471 1.00 58.78 C +ATOM 238 CD GLU A 35 1.445 -44.815 -11.528 1.00 55.54 C +ATOM 239 OE1 GLU A 35 2.461 -45.420 -11.954 1.00 52.54 O +ATOM 240 OE2 GLU A 35 1.087 -43.679 -11.907 1.00 51.33 O +ATOM 241 N ARG A 36 -1.039 -43.865 -6.546 1.00 67.89 N +ATOM 242 CA ARG A 36 -1.594 -42.851 -5.651 1.00 72.17 C +ATOM 243 C ARG A 36 -1.913 -41.599 -6.456 1.00 70.09 C +ATOM 244 O ARG A 36 -1.076 -41.134 -7.225 1.00 66.06 O +ATOM 245 CB ARG A 36 -0.592 -42.570 -4.519 1.00 69.18 C +ATOM 246 CG ARG A 36 -1.154 -41.575 -3.495 1.00 65.83 C +ATOM 247 CD ARG A 36 -0.154 -41.375 -2.359 1.00 64.60 C +ATOM 248 NE ARG A 36 -0.675 -40.437 -1.360 1.00 62.50 N +ATOM 249 CZ ARG A 36 -0.084 -40.087 -0.231 1.00 57.89 C +ATOM 250 NH1 ARG A 36 1.089 -40.562 0.101 1.00 57.53 N +ATOM 251 NH2 ARG A 36 -0.669 -39.260 0.580 1.00 56.20 N +ATOM 252 N GLY A 37 -3.103 -41.043 -6.251 1.00 64.55 N +ATOM 253 CA GLY A 37 -3.498 -39.798 -6.897 1.00 65.96 C +ATOM 254 C GLY A 37 -2.486 -38.674 -6.646 1.00 67.92 C +ATOM 255 O GLY A 37 -1.884 -38.590 -5.571 1.00 65.84 O +ATOM 256 N GLU A 38 -2.292 -37.837 -7.658 1.00 59.66 N +ATOM 257 CA GLU A 38 -1.404 -36.682 -7.539 1.00 65.77 C +ATOM 258 C GLU A 38 -1.860 -35.767 -6.397 1.00 64.64 C +ATOM 259 O GLU A 38 -3.050 -35.619 -6.102 1.00 63.59 O +ATOM 260 CB GLU A 38 -1.316 -35.898 -8.857 1.00 63.27 C +ATOM 261 CG GLU A 38 -0.643 -36.719 -9.988 1.00 58.46 C +ATOM 262 CD GLU A 38 -0.370 -35.873 -11.253 1.00 55.69 C +ATOM 263 OE1 GLU A 38 0.454 -36.340 -12.080 1.00 52.87 O +ATOM 264 OE2 GLU A 38 -0.949 -34.777 -11.380 1.00 51.21 O +ATOM 265 N GLN A 39 -0.882 -35.153 -5.724 1.00 68.87 N +ATOM 266 CA GLN A 39 -1.183 -34.196 -4.669 1.00 71.48 C +ATOM 267 C GLN A 39 -1.988 -33.029 -5.253 1.00 68.85 C +ATOM 268 O GLN A 39 -1.627 -32.478 -6.284 1.00 64.75 O +ATOM 269 CB GLN A 39 0.131 -33.732 -4.012 1.00 69.44 C +ATOM 270 CG GLN A 39 -0.117 -32.799 -2.815 1.00 66.31 C +ATOM 271 CD GLN A 39 1.158 -32.407 -2.075 1.00 64.10 C +ATOM 272 OE1 GLN A 39 2.260 -32.844 -2.350 1.00 63.51 O +ATOM 273 NE2 GLN A 39 1.058 -31.562 -1.067 1.00 60.20 N +ATOM 274 N GLY A 40 -3.062 -32.643 -4.570 1.00 62.75 N +ATOM 275 CA GLY A 40 -3.877 -31.505 -4.985 1.00 63.79 C +ATOM 276 C GLY A 40 -3.051 -30.218 -5.105 1.00 64.23 C +ATOM 277 O GLY A 40 -2.043 -30.054 -4.406 1.00 62.10 O +ATOM 278 N PRO A 41 -3.467 -29.303 -5.978 1.00 65.38 N +ATOM 279 CA PRO A 41 -2.757 -28.045 -6.162 1.00 68.51 C +ATOM 280 C PRO A 41 -2.683 -27.271 -4.841 1.00 67.42 C +ATOM 281 O PRO A 41 -3.584 -27.330 -4.006 1.00 65.14 O +ATOM 282 CB PRO A 41 -3.520 -27.285 -7.244 1.00 66.88 C +ATOM 283 CG PRO A 41 -4.938 -27.849 -7.138 1.00 64.55 C +ATOM 284 CD PRO A 41 -4.692 -29.309 -6.749 1.00 67.36 C +ATOM 285 N THR A 42 -1.587 -26.529 -4.660 1.00 67.96 N +ATOM 286 CA THR A 42 -1.455 -25.627 -3.516 1.00 69.54 C +ATOM 287 C THR A 42 -2.597 -24.612 -3.532 1.00 66.69 C +ATOM 288 O THR A 42 -2.878 -24.037 -4.582 1.00 63.15 O +ATOM 289 CB THR A 42 -0.108 -24.893 -3.544 1.00 68.11 C +ATOM 290 OG1 THR A 42 0.950 -25.826 -3.595 1.00 63.06 O +ATOM 291 CG2 THR A 42 0.148 -24.023 -2.311 1.00 63.60 C +ATOM 292 N GLY A 43 -3.228 -24.390 -2.381 1.00 61.59 N +ATOM 293 CA GLY A 43 -4.289 -23.394 -2.246 1.00 63.03 C +ATOM 294 C GLY A 43 -3.837 -22.000 -2.689 1.00 63.80 C +ATOM 295 O GLY A 43 -2.641 -21.681 -2.644 1.00 62.05 O +ATOM 296 N PRO A 44 -4.781 -21.162 -3.123 1.00 67.97 N +ATOM 297 CA PRO A 44 -4.472 -19.810 -3.554 1.00 70.94 C +ATOM 298 C PRO A 44 -3.787 -19.026 -2.427 1.00 69.98 C +ATOM 299 O PRO A 44 -4.008 -19.277 -1.240 1.00 67.68 O +ATOM 300 CB PRO A 44 -5.805 -19.184 -3.973 1.00 69.31 C +ATOM 301 CG PRO A 44 -6.832 -19.971 -3.162 1.00 67.40 C +ATOM 302 CD PRO A 44 -6.218 -21.367 -3.095 1.00 70.29 C +ATOM 303 N ALA A 45 -2.942 -18.068 -2.803 1.00 72.98 N +ATOM 304 CA ALA A 45 -2.339 -17.178 -1.823 1.00 74.82 C +ATOM 305 C ALA A 45 -3.432 -16.408 -1.070 1.00 74.09 C +ATOM 306 O ALA A 45 -4.399 -15.954 -1.684 1.00 70.55 O +ATOM 307 CB ALA A 45 -1.353 -16.234 -2.519 1.00 71.70 C +ATOM 308 N GLY A 46 -3.256 -16.243 0.242 1.00 62.67 N +ATOM 309 CA GLY A 46 -4.166 -15.445 1.051 1.00 64.45 C +ATOM 310 C GLY A 46 -4.294 -14.012 0.531 1.00 65.43 C +ATOM 311 O GLY A 46 -3.362 -13.488 -0.096 1.00 63.07 O +ATOM 312 N PRO A 47 -5.444 -13.372 0.782 1.00 67.97 N +ATOM 313 CA PRO A 47 -5.670 -12.008 0.334 1.00 71.39 C +ATOM 314 C PRO A 47 -4.592 -11.068 0.892 1.00 71.09 C +ATOM 315 O PRO A 47 -4.047 -11.274 1.978 1.00 68.55 O +ATOM 316 CB PRO A 47 -7.080 -11.634 0.812 1.00 69.22 C +ATOM 317 CG PRO A 47 -7.298 -12.555 2.014 1.00 67.29 C +ATOM 318 CD PRO A 47 -6.538 -13.825 1.624 1.00 70.48 C +ATOM 319 N ARG A 48 -4.267 -10.024 0.127 1.00 69.99 N +ATOM 320 CA ARG A 48 -3.352 -8.985 0.603 1.00 72.97 C +ATOM 321 C ARG A 48 -3.958 -8.327 1.842 1.00 70.76 C +ATOM 322 O ARG A 48 -5.135 -7.993 1.834 1.00 66.69 O +ATOM 323 CB ARG A 48 -3.092 -7.980 -0.522 1.00 69.67 C +ATOM 324 CG ARG A 48 -2.050 -6.925 -0.128 1.00 64.71 C +ATOM 325 CD ARG A 48 -1.786 -5.981 -1.297 1.00 65.21 C +ATOM 326 NE ARG A 48 -0.817 -4.939 -0.936 1.00 61.65 N +ATOM 327 CZ ARG A 48 -0.378 -3.969 -1.721 1.00 55.41 C +ATOM 328 NH1 ARG A 48 -0.781 -3.855 -2.957 1.00 55.09 N +ATOM 329 NH2 ARG A 48 0.469 -3.097 -1.278 1.00 52.54 N +ATOM 330 N GLY A 49 -3.147 -8.122 2.873 1.00 64.87 N +ATOM 331 CA GLY A 49 -3.564 -7.389 4.065 1.00 65.65 C +ATOM 332 C GLY A 49 -4.125 -6.008 3.709 1.00 66.82 C +ATOM 333 O GLY A 49 -3.666 -5.378 2.753 1.00 64.01 O +ATOM 334 N LEU A 50 -5.134 -5.580 4.461 1.00 66.92 N +ATOM 335 CA LEU A 50 -5.752 -4.277 4.270 1.00 70.68 C +ATOM 336 C LEU A 50 -4.693 -3.171 4.426 1.00 70.51 C +ATOM 337 O LEU A 50 -3.771 -3.281 5.240 1.00 68.24 O +ATOM 338 CB LEU A 50 -6.921 -4.077 5.248 1.00 67.70 C +ATOM 339 CG LEU A 50 -8.098 -5.051 5.045 1.00 62.92 C +ATOM 340 CD1 LEU A 50 -9.157 -4.830 6.114 1.00 60.58 C +ATOM 341 CD2 LEU A 50 -8.757 -4.892 3.675 1.00 58.76 C +ATOM 342 N GLN A 51 -4.820 -2.120 3.620 1.00 73.32 N +ATOM 343 CA GLN A 51 -3.971 -0.943 3.776 1.00 75.44 C +ATOM 344 C GLN A 51 -4.214 -0.334 5.159 1.00 74.18 C +ATOM 345 O GLN A 51 -5.360 -0.188 5.564 1.00 70.70 O +ATOM 346 CB GLN A 51 -4.258 0.042 2.636 1.00 71.86 C +ATOM 347 CG GLN A 51 -3.334 1.264 2.680 1.00 67.39 C +ATOM 348 CD GLN A 51 -3.506 2.184 1.478 1.00 64.81 C +ATOM 349 OE1 GLN A 51 -4.216 1.919 0.519 1.00 62.42 O +ATOM 350 NE2 GLN A 51 -2.837 3.321 1.466 1.00 58.51 N +ATOM 351 N GLY A 52 -3.140 0.009 5.864 1.00 65.70 N +ATOM 352 CA GLY A 52 -3.243 0.699 7.143 1.00 66.81 C +ATOM 353 C GLY A 52 -4.058 1.992 7.014 1.00 68.82 C +ATOM 354 O GLY A 52 -4.000 2.669 5.986 1.00 66.28 O +ATOM 355 N GLU A 53 -4.833 2.294 8.052 1.00 63.11 N +ATOM 356 CA GLU A 53 -5.624 3.524 8.090 1.00 67.91 C +ATOM 357 C GLU A 53 -4.712 4.747 7.945 1.00 67.34 C +ATOM 358 O GLU A 53 -3.551 4.760 8.364 1.00 66.00 O +ATOM 359 CB GLU A 53 -6.470 3.599 9.366 1.00 65.08 C +ATOM 360 CG GLU A 53 -7.529 2.481 9.402 1.00 60.72 C +ATOM 361 CD GLU A 53 -8.521 2.618 10.577 1.00 58.01 C +ATOM 362 OE1 GLU A 53 -9.579 1.966 10.481 1.00 54.95 O +ATOM 363 OE2 GLU A 53 -8.202 3.356 11.524 1.00 53.47 O +ATOM 364 N ARG A 54 -5.248 5.780 7.283 1.00 72.89 N +ATOM 365 CA ARG A 54 -4.524 7.040 7.161 1.00 75.68 C +ATOM 366 C ARG A 54 -4.345 7.642 8.554 1.00 74.66 C +ATOM 367 O ARG A 54 -5.315 7.753 9.279 1.00 70.35 O +ATOM 368 CB ARG A 54 -5.298 7.975 6.224 1.00 71.19 C +ATOM 369 CG ARG A 54 -4.584 9.319 6.026 1.00 66.17 C +ATOM 370 CD ARG A 54 -5.381 10.185 5.055 1.00 66.37 C +ATOM 371 NE ARG A 54 -4.783 11.517 4.898 1.00 62.53 N +ATOM 372 CZ ARG A 54 -5.278 12.507 4.182 1.00 57.71 C +ATOM 373 NH1 ARG A 54 -6.354 12.365 3.472 1.00 56.71 N +ATOM 374 NH2 ARG A 54 -4.700 13.675 4.195 1.00 54.89 N +ATOM 375 N GLY A 55 -3.119 8.066 8.875 1.00 65.05 N +ATOM 376 CA GLY A 55 -2.852 8.756 10.131 1.00 65.49 C +ATOM 377 C GLY A 55 -3.783 9.959 10.323 1.00 67.03 C +ATOM 378 O GLY A 55 -4.121 10.649 9.355 1.00 64.27 O +ATOM 379 N GLU A 56 -4.194 10.179 11.565 1.00 63.87 N +ATOM 380 CA GLU A 56 -5.054 11.306 11.920 1.00 68.16 C +ATOM 381 C GLU A 56 -4.408 12.633 11.507 1.00 67.13 C +ATOM 382 O GLU A 56 -3.182 12.796 11.494 1.00 65.50 O +ATOM 383 CB GLU A 56 -5.394 11.304 13.415 1.00 65.10 C +ATOM 384 CG GLU A 56 -6.254 10.095 13.824 1.00 60.41 C +ATOM 385 CD GLU A 56 -6.758 10.174 15.279 1.00 58.25 C +ATOM 386 OE1 GLU A 56 -7.714 9.441 15.592 1.00 55.42 O +ATOM 387 OE2 GLU A 56 -6.196 10.981 16.058 1.00 53.76 O +ATOM 388 N GLN A 57 -5.252 13.592 11.124 1.00 71.96 N +ATOM 389 CA GLN A 57 -4.767 14.925 10.798 1.00 74.36 C +ATOM 390 C GLN A 57 -4.144 15.554 12.041 1.00 73.69 C +ATOM 391 O GLN A 57 -4.764 15.565 13.102 1.00 69.71 O +ATOM 392 CB GLN A 57 -5.917 15.760 10.222 1.00 71.04 C +ATOM 393 CG GLN A 57 -5.463 17.160 9.793 1.00 67.24 C +ATOM 394 CD GLN A 57 -6.558 17.969 9.106 1.00 65.78 C +ATOM 395 OE1 GLN A 57 -7.628 17.509 8.756 1.00 64.07 O +ATOM 396 NE2 GLN A 57 -6.311 19.235 8.854 1.00 60.71 N +ATOM 397 N GLY A 58 -2.942 16.110 11.907 1.00 61.57 N +ATOM 398 CA GLY A 58 -2.289 16.817 13.004 1.00 61.75 C +ATOM 399 C GLY A 58 -3.186 17.922 13.575 1.00 61.84 C +ATOM 400 O GLY A 58 -3.964 18.530 12.833 1.00 59.36 O +ATOM 401 N PRO A 59 -3.092 18.206 14.889 1.00 63.49 N +ATOM 402 CA PRO A 59 -3.914 19.219 15.528 1.00 66.51 C +ATOM 403 C PRO A 59 -3.709 20.586 14.862 1.00 65.04 C +ATOM 404 O PRO A 59 -2.608 20.932 14.424 1.00 62.29 O +ATOM 405 CB PRO A 59 -3.513 19.219 17.008 1.00 65.14 C +ATOM 406 CG PRO A 59 -2.088 18.672 16.990 1.00 63.69 C +ATOM 407 CD PRO A 59 -2.117 17.667 15.826 1.00 66.39 C +ATOM 408 N THR A 60 -4.785 21.371 14.791 1.00 71.09 N +ATOM 409 CA THR A 60 -4.693 22.750 14.307 1.00 71.73 C +ATOM 410 C THR A 60 -3.747 23.542 15.200 1.00 69.96 C +ATOM 411 O THR A 60 -3.844 23.460 16.427 1.00 65.82 O +ATOM 412 CB THR A 60 -6.084 23.420 14.282 1.00 68.92 C +ATOM 413 OG1 THR A 60 -6.974 22.637 13.520 1.00 64.03 O +ATOM 414 CG2 THR A 60 -6.072 24.808 13.649 1.00 64.52 C +ATOM 415 N GLY A 61 -2.834 24.303 14.602 1.00 59.49 N +ATOM 416 CA GLY A 61 -1.932 25.174 15.353 1.00 60.39 C +ATOM 417 C GLY A 61 -2.705 26.114 16.280 1.00 60.37 C +ATOM 418 O GLY A 61 -3.783 26.600 15.927 1.00 58.31 O +ATOM 419 N LEU A 62 -2.156 26.348 17.470 1.00 61.36 N +ATOM 420 CA LEU A 62 -2.769 27.258 18.440 1.00 64.77 C +ATOM 421 C LEU A 62 -2.922 28.655 17.819 1.00 62.60 C +ATOM 422 O LEU A 62 -2.037 29.127 17.101 1.00 60.49 O +ATOM 423 CB LEU A 62 -1.947 27.308 19.737 1.00 63.07 C +ATOM 424 CG LEU A 62 -1.909 25.987 20.532 1.00 60.44 C +ATOM 425 CD1 LEU A 62 -0.961 26.130 21.733 1.00 58.73 C +ATOM 426 CD2 LEU A 62 -3.284 25.578 21.059 1.00 57.19 C +ATOM 427 N ALA A 63 -4.047 29.327 18.120 1.00 69.93 N +ATOM 428 CA ALA A 63 -4.240 30.716 17.706 1.00 71.35 C +ATOM 429 C ALA A 63 -3.106 31.599 18.257 1.00 70.78 C +ATOM 430 O ALA A 63 -2.707 31.450 19.416 1.00 66.55 O +ATOM 431 CB ALA A 63 -5.620 31.190 18.168 1.00 67.39 C +ATOM 432 N GLY A 64 -2.599 32.494 17.417 1.00 61.17 N +ATOM 433 CA GLY A 64 -1.614 33.482 17.856 1.00 62.77 C +ATOM 434 C GLY A 64 -2.147 34.303 19.035 1.00 63.00 C +ATOM 435 O GLY A 64 -3.337 34.599 19.110 1.00 61.10 O +ATOM 436 N LYS A 65 -1.250 34.638 19.966 1.00 62.74 N +ATOM 437 CA LYS A 65 -1.630 35.492 21.098 1.00 66.96 C +ATOM 438 C LYS A 65 -2.149 36.832 20.568 1.00 64.32 C +ATOM 439 O LYS A 65 -1.611 37.365 19.601 1.00 63.61 O +ATOM 440 CB LYS A 65 -0.449 35.703 22.058 1.00 64.65 C +ATOM 441 CG LYS A 65 -0.032 34.415 22.788 1.00 60.62 C +ATOM 442 CD LYS A 65 1.112 34.705 23.770 1.00 59.37 C +ATOM 443 CE LYS A 65 1.553 33.429 24.493 1.00 56.09 C +ATOM 444 NZ LYS A 65 2.669 33.704 25.430 1.00 50.48 N +ATOM 445 N ALA A 66 -3.205 37.364 21.194 1.00 70.34 N +ATOM 446 CA ALA A 66 -3.667 38.711 20.881 1.00 71.92 C +ATOM 447 C ALA A 66 -2.526 39.713 21.111 1.00 71.53 C +ATOM 448 O ALA A 66 -1.789 39.589 22.093 1.00 67.60 O +ATOM 449 CB ALA A 66 -4.900 39.037 21.739 1.00 68.33 C +ATOM 450 N GLY A 67 -2.389 40.693 20.209 1.00 64.37 N +ATOM 451 CA GLY A 67 -1.426 41.775 20.373 1.00 66.13 C +ATOM 452 C GLY A 67 -1.663 42.524 21.687 1.00 67.25 C +ATOM 453 O GLY A 67 -2.805 42.690 22.126 1.00 65.75 O +ATOM 454 N GLU A 68 -0.570 42.956 22.322 1.00 59.39 N +ATOM 455 CA GLU A 68 -0.660 43.757 23.541 1.00 63.74 C +ATOM 456 C GLU A 68 -1.432 45.054 23.271 1.00 61.34 C +ATOM 457 O GLU A 68 -1.390 45.624 22.174 1.00 60.27 O +ATOM 458 CB GLU A 68 0.727 44.026 24.142 1.00 62.49 C +ATOM 459 CG GLU A 68 1.382 42.721 24.651 1.00 58.69 C +ATOM 460 CD GLU A 68 2.705 42.940 25.403 1.00 56.72 C +ATOM 461 OE1 GLU A 68 3.116 41.975 26.097 1.00 54.69 O +ATOM 462 OE2 GLU A 68 3.290 44.033 25.288 1.00 53.62 O +ATOM 463 N ALA A 69 -2.189 45.512 24.272 1.00 70.65 N +ATOM 464 CA ALA A 69 -2.888 46.782 24.160 1.00 72.14 C +ATOM 465 C ALA A 69 -1.869 47.919 23.988 1.00 71.89 C +ATOM 466 O ALA A 69 -0.866 47.956 24.697 1.00 67.95 O +ATOM 467 CB ALA A 69 -3.779 46.985 25.397 1.00 68.65 C +ATOM 468 N GLY A 70 -2.161 48.854 23.076 1.00 64.95 N +ATOM 469 CA GLY A 70 -1.322 50.030 22.889 1.00 66.20 C +ATOM 470 C GLY A 70 -1.153 50.821 24.192 1.00 66.95 C +ATOM 471 O GLY A 70 -2.078 50.908 25.007 1.00 65.18 O +ATOM 472 N ALA A 71 0.028 51.405 24.372 1.00 64.97 N +ATOM 473 CA ALA A 71 0.315 52.232 25.536 1.00 68.52 C +ATOM 474 C ALA A 71 -0.688 53.396 25.633 1.00 67.67 C +ATOM 475 O ALA A 71 -1.159 53.937 24.629 1.00 66.08 O +ATOM 476 CB ALA A 71 1.775 52.720 25.462 1.00 65.97 C +ATOM 477 N LYS A 72 -1.030 53.772 26.875 1.00 67.71 N +ATOM 478 CA LYS A 72 -1.872 54.945 27.099 1.00 71.63 C +ATOM 479 C LYS A 72 -1.158 56.184 26.556 1.00 70.53 C +ATOM 480 O LYS A 72 0.013 56.373 26.860 1.00 67.74 O +ATOM 481 CB LYS A 72 -2.189 55.060 28.600 1.00 67.67 C +ATOM 482 CG LYS A 72 -3.161 56.206 28.905 1.00 62.77 C +ATOM 483 CD LYS A 72 -3.461 56.277 30.412 1.00 62.68 C +ATOM 484 CE LYS A 72 -4.396 57.446 30.712 1.00 59.55 C +ATOM 485 NZ LYS A 72 -4.643 57.574 32.154 1.00 53.90 N +ATOM 486 N GLY A 73 -1.862 57.005 25.789 1.00 66.19 N +ATOM 487 CA GLY A 73 -1.307 58.262 25.288 1.00 67.21 C +ATOM 488 C GLY A 73 -0.813 59.158 26.424 1.00 68.68 C +ATOM 489 O GLY A 73 -1.390 59.174 27.512 1.00 66.77 O +ATOM 490 N GLU A 74 0.264 59.901 26.156 1.00 59.89 N +ATOM 491 CA GLU A 74 0.816 60.848 27.119 1.00 64.10 C +ATOM 492 C GLU A 74 -0.205 61.943 27.456 1.00 62.19 C +ATOM 493 O GLU A 74 -1.056 62.322 26.645 1.00 60.85 O +ATOM 494 CB GLU A 74 2.136 61.454 26.606 1.00 62.68 C +ATOM 495 CG GLU A 74 3.248 60.385 26.457 1.00 59.72 C +ATOM 496 CD GLU A 74 4.627 60.989 26.124 1.00 57.57 C +ATOM 497 OE1 GLU A 74 5.625 60.256 26.323 1.00 55.61 O +ATOM 498 OE2 GLU A 74 4.674 62.157 25.693 1.00 54.49 O +ATOM 499 N THR A 75 -0.139 62.446 28.695 1.00 70.37 N +ATOM 500 CA THR A 75 -0.974 63.579 29.105 1.00 70.64 C +ATOM 501 C THR A 75 -0.580 64.803 28.283 1.00 68.51 C +ATOM 502 O THR A 75 0.601 65.106 28.168 1.00 65.15 O +ATOM 503 CB THR A 75 -0.830 63.857 30.602 1.00 68.66 C +ATOM 504 OG1 THR A 75 -1.155 62.692 31.332 1.00 64.71 O +ATOM 505 CG2 THR A 75 -1.758 64.956 31.105 1.00 64.87 C +ATOM 506 N GLY A 76 -1.554 65.502 27.727 1.00 64.38 N +ATOM 507 CA GLY A 76 -1.296 66.732 26.979 1.00 64.51 C +ATOM 508 C GLY A 76 -0.539 67.770 27.805 1.00 65.11 C +ATOM 509 O GLY A 76 -0.682 67.809 29.034 1.00 63.51 O +ATOM 510 N PRO A 77 0.245 68.649 27.171 1.00 65.38 N +ATOM 511 CA PRO A 77 0.996 69.684 27.865 1.00 67.42 C +ATOM 512 C PRO A 77 0.049 70.634 28.619 1.00 65.56 C +ATOM 513 O PRO A 77 -1.100 70.842 28.233 1.00 63.51 O +ATOM 514 CB PRO A 77 1.813 70.409 26.781 1.00 66.31 C +ATOM 515 CG PRO A 77 0.988 70.181 25.515 1.00 65.03 C +ATOM 516 CD PRO A 77 0.400 68.786 25.728 1.00 68.01 C +ATOM 517 N ALA A 78 0.566 71.243 29.703 1.00 66.67 N +ATOM 518 CA ALA A 78 -0.187 72.272 30.415 1.00 68.10 C +ATOM 519 C ALA A 78 -0.504 73.449 29.480 1.00 66.99 C +ATOM 520 O ALA A 78 0.329 73.849 28.662 1.00 63.51 O +ATOM 521 CB ALA A 78 0.607 72.723 31.648 1.00 65.96 C +ATOM 522 N GLY A 79 -1.703 73.985 29.602 1.00 63.75 N +ATOM 523 CA GLY A 79 -2.100 75.155 28.837 1.00 64.96 C +ATOM 524 C GLY A 79 -1.190 76.358 29.112 1.00 66.44 C +ATOM 525 O GLY A 79 -0.601 76.462 30.185 1.00 65.19 O +ATOM 526 N PRO A 80 -1.075 77.276 28.154 1.00 67.75 N +ATOM 527 CA PRO A 80 -0.248 78.466 28.316 1.00 69.78 C +ATOM 528 C PRO A 80 -0.731 79.301 29.505 1.00 69.29 C +ATOM 529 O PRO A 80 -1.914 79.329 29.843 1.00 67.60 O +ATOM 530 CB PRO A 80 -0.346 79.231 26.988 1.00 68.04 C +ATOM 531 CG PRO A 80 -1.693 78.783 26.421 1.00 65.73 C +ATOM 532 CD PRO A 80 -1.802 77.333 26.895 1.00 68.37 C +ATOM 533 N GLN A 81 0.213 80.039 30.137 1.00 63.81 N +ATOM 534 CA GLN A 81 -0.130 80.972 31.208 1.00 66.51 C +ATOM 535 C GLN A 81 -1.074 82.050 30.668 1.00 64.26 C +ATOM 536 O GLN A 81 -0.851 82.597 29.582 1.00 61.42 O +ATOM 537 CB GLN A 81 1.164 81.571 31.787 1.00 65.11 C +ATOM 538 CG GLN A 81 0.887 82.468 33.008 1.00 62.72 C +ATOM 539 CD GLN A 81 2.162 82.997 33.662 1.00 62.16 C +ATOM 540 OE1 GLN A 81 3.283 82.740 33.270 1.00 61.91 O +ATOM 541 NE2 GLN A 81 2.033 83.773 34.721 1.00 58.03 N +ATOM 542 N GLY A 82 -2.108 82.344 31.409 1.00 66.69 N +ATOM 543 CA GLY A 82 -3.031 83.408 31.049 1.00 67.36 C +ATOM 544 C GLY A 82 -2.333 84.763 30.910 1.00 69.33 C +ATOM 545 O GLY A 82 -1.310 85.006 31.566 1.00 68.00 O +ATOM 546 N PRO A 83 -2.865 85.669 30.072 1.00 69.46 N +ATOM 547 CA PRO A 83 -2.282 86.993 29.893 1.00 70.98 C +ATOM 548 C PRO A 83 -2.255 87.751 31.227 1.00 71.09 C +ATOM 549 O PRO A 83 -3.105 87.562 32.100 1.00 69.62 O +ATOM 550 CB PRO A 83 -3.149 87.689 28.834 1.00 68.82 C +ATOM 551 CG PRO A 83 -4.504 86.995 28.971 1.00 65.73 C +ATOM 552 CD PRO A 83 -4.117 85.554 29.338 1.00 68.05 C +ATOM 553 N ARG A 84 -1.255 88.615 31.369 1.00 66.55 N +ATOM 554 CA ARG A 84 -1.204 89.513 32.529 1.00 69.05 C +ATOM 555 C ARG A 84 -2.442 90.402 32.523 1.00 67.15 C +ATOM 556 O ARG A 84 -2.799 90.951 31.487 1.00 64.37 O +ATOM 557 CB ARG A 84 0.095 90.325 32.484 1.00 66.60 C +ATOM 558 CG ARG A 84 0.259 91.218 33.724 1.00 62.66 C +ATOM 559 CD ARG A 84 1.589 91.964 33.657 1.00 63.47 C +ATOM 560 NE ARG A 84 1.778 92.845 34.830 1.00 61.84 N +ATOM 561 CZ ARG A 84 2.823 93.605 35.082 1.00 56.72 C +ATOM 562 NH1 ARG A 84 3.846 93.665 34.259 1.00 56.48 N +ATOM 563 NH2 ARG A 84 2.864 94.331 36.155 1.00 56.06 N +ATOM 564 N GLY A 85 -3.066 90.589 33.671 1.00 66.46 N +ATOM 565 CA GLY A 85 -4.186 91.508 33.821 1.00 67.25 C +ATOM 566 C GLY A 85 -3.823 92.927 33.410 1.00 69.50 C +ATOM 567 O GLY A 85 -2.672 93.359 33.567 1.00 67.93 O +ATOM 568 N GLU A 86 -4.787 93.658 32.874 1.00 61.66 N +ATOM 569 CA GLU A 86 -4.606 95.047 32.478 1.00 65.98 C +ATOM 570 C GLU A 86 -4.218 95.901 33.687 1.00 65.31 C +ATOM 571 O GLU A 86 -4.625 95.652 34.829 1.00 64.20 O +ATOM 572 CB GLU A 86 -5.865 95.598 31.802 1.00 63.65 C +ATOM 573 CG GLU A 86 -6.172 94.879 30.466 1.00 58.94 C +ATOM 574 CD GLU A 86 -7.355 95.489 29.684 1.00 56.61 C +ATOM 575 OE1 GLU A 86 -7.498 95.134 28.494 1.00 53.74 O +ATOM 576 OE2 GLU A 86 -8.099 96.301 30.288 1.00 51.71 O +ATOM 577 N GLN A 87 -3.388 96.902 33.444 1.00 64.17 N +ATOM 578 CA GLN A 87 -3.031 97.851 34.493 1.00 65.56 C +ATOM 579 C GLN A 87 -4.287 98.597 34.956 1.00 62.89 C +ATOM 580 O GLN A 87 -5.072 99.064 34.145 1.00 59.81 O +ATOM 581 CB GLN A 87 -1.942 98.803 33.960 1.00 64.20 C +ATOM 582 CG GLN A 87 -1.433 99.760 35.052 1.00 60.55 C +ATOM 583 CD GLN A 87 -0.278 100.651 34.584 1.00 59.81 C +ATOM 584 OE1 GLN A 87 0.254 100.546 33.491 1.00 60.14 O +ATOM 585 NE2 GLN A 87 0.168 101.568 35.417 1.00 56.13 N +ATOM 586 N GLY A 88 -4.455 98.692 36.255 1.00 63.75 N +ATOM 587 CA GLY A 88 -5.558 99.463 36.818 1.00 64.09 C +ATOM 588 C GLY A 88 -5.549 100.918 36.335 1.00 64.90 C +ATOM 589 O GLY A 88 -4.483 101.475 36.052 1.00 63.09 O +ATOM 590 N PRO A 89 -6.719 101.564 36.255 1.00 63.47 N +ATOM 591 CA PRO A 89 -6.813 102.948 35.817 1.00 65.86 C +ATOM 592 C PRO A 89 -6.011 103.863 36.746 1.00 64.68 C +ATOM 593 O PRO A 89 -5.913 103.626 37.955 1.00 62.61 O +ATOM 594 CB PRO A 89 -8.312 103.277 35.817 1.00 64.87 C +ATOM 595 CG PRO A 89 -8.892 102.305 36.836 1.00 61.93 C +ATOM 596 CD PRO A 89 -8.020 101.059 36.665 1.00 64.35 C +ATOM 597 N GLN A 90 -5.440 104.922 36.169 1.00 63.21 N +ATOM 598 CA GLN A 90 -4.733 105.922 36.962 1.00 65.11 C +ATOM 599 C GLN A 90 -5.667 106.554 37.997 1.00 63.47 C +ATOM 600 O GLN A 90 -6.805 106.901 37.694 1.00 60.69 O +ATOM 601 CB GLN A 90 -4.124 106.970 36.017 1.00 63.60 C +ATOM 602 CG GLN A 90 -3.223 107.972 36.768 1.00 58.93 C +ATOM 603 CD GLN A 90 -2.545 108.977 35.842 1.00 58.06 C +ATOM 604 OE1 GLN A 90 -2.677 108.987 34.632 1.00 56.80 O +ATOM 605 NE2 GLN A 90 -1.757 109.886 36.388 1.00 52.61 N +ATOM 606 N GLY A 91 -5.172 106.712 39.225 1.00 57.91 N +ATOM 607 CA GLY A 91 -5.929 107.379 40.287 1.00 59.01 C +ATOM 608 C GLY A 91 -6.357 108.792 39.883 1.00 59.21 C +ATOM 609 O GLY A 91 -5.635 109.507 39.187 1.00 57.35 O +ATOM 610 N LEU A 92 -7.544 109.190 40.322 1.00 61.23 N +ATOM 611 CA LEU A 92 -8.056 110.526 40.045 1.00 64.15 C +ATOM 612 C LEU A 92 -7.151 111.600 40.675 1.00 63.32 C +ATOM 613 O LEU A 92 -6.599 111.377 41.757 1.00 61.94 O +ATOM 614 CB LEU A 92 -9.499 110.658 40.563 1.00 62.77 C +ATOM 615 CG LEU A 92 -10.533 109.756 39.857 1.00 59.55 C +ATOM 616 CD1 LEU A 92 -11.894 109.894 40.533 1.00 57.73 C +ATOM 617 CD2 LEU A 92 -10.693 110.099 38.379 1.00 56.58 C +ATOM 618 N PRO A 93 -7.021 112.742 40.036 1.00 65.13 N +ATOM 619 CA PRO A 93 -6.277 113.854 40.619 1.00 66.54 C +ATOM 620 C PRO A 93 -6.801 114.198 42.014 1.00 64.28 C +ATOM 621 O PRO A 93 -8.012 114.225 42.242 1.00 62.51 O +ATOM 622 CB PRO A 93 -6.444 115.036 39.660 1.00 66.42 C +ATOM 623 CG PRO A 93 -6.735 114.373 38.311 1.00 62.48 C +ATOM 624 CD PRO A 93 -7.509 113.121 38.697 1.00 65.72 C +ATOM 625 N GLY A 94 -5.871 114.511 42.919 1.00 58.93 N +ATOM 626 CA GLY A 94 -6.238 114.956 44.253 1.00 60.18 C +ATOM 627 C GLY A 94 -7.134 116.201 44.221 1.00 60.71 C +ATOM 628 O GLY A 94 -7.014 117.055 43.336 1.00 58.93 O +ATOM 629 N ALA A 95 -8.013 116.312 45.180 1.00 59.54 N +ATOM 630 CA ALA A 95 -8.894 117.467 45.312 1.00 62.02 C +ATOM 631 C ALA A 95 -8.064 118.762 45.474 1.00 61.49 C +ATOM 632 O ALA A 95 -7.020 118.784 46.120 1.00 59.75 O +ATOM 633 CB ALA A 95 -9.844 117.246 46.492 1.00 60.18 C +ATOM 634 N ARG A 96 -8.533 119.767 44.856 1.00 63.95 N +ATOM 635 CA ARG A 96 -7.890 121.076 45.010 1.00 66.17 C +ATOM 636 C ARG A 96 -7.990 121.517 46.457 1.00 64.34 C +ATOM 637 O ARG A 96 -9.083 121.507 47.021 1.00 61.53 O +ATOM 638 CB ARG A 96 -8.551 122.071 44.050 1.00 63.73 C +ATOM 639 CG ARG A 96 -7.844 123.433 44.062 1.00 56.66 C +ATOM 640 CD ARG A 96 -8.497 124.356 43.033 1.00 57.05 C +ATOM 641 NE ARG A 96 -7.810 125.654 42.953 1.00 55.40 N +ATOM 642 CZ ARG A 96 -8.075 126.630 42.119 1.00 49.59 C +ATOM 643 NH1 ARG A 96 -9.057 126.544 41.253 1.00 50.14 N +ATOM 644 NH2 ARG A 96 -7.372 127.719 42.128 1.00 49.23 N +ATOM 645 N GLY A 97 -6.881 121.951 47.035 1.00 60.68 N +ATOM 646 CA GLY A 97 -6.843 122.479 48.396 1.00 61.46 C +ATOM 647 C GLY A 97 -7.798 123.657 48.579 1.00 62.30 C +ATOM 648 O GLY A 97 -8.015 124.454 47.661 1.00 60.41 O +ATOM 649 N GLU A 98 -8.354 123.737 49.762 1.00 57.80 N +ATOM 650 CA GLU A 98 -9.224 124.847 50.119 1.00 60.43 C +ATOM 651 C GLU A 98 -8.481 126.184 50.023 1.00 59.32 C +ATOM 652 O GLU A 98 -7.266 126.272 50.201 1.00 58.22 O +ATOM 653 CB GLU A 98 -9.825 124.647 51.524 1.00 59.16 C +ATOM 654 CG GLU A 98 -10.750 123.416 51.585 1.00 54.50 C +ATOM 655 CD GLU A 98 -11.540 123.311 52.895 1.00 52.66 C +ATOM 656 OE1 GLU A 98 -12.559 122.575 52.894 1.00 50.98 O +ATOM 657 OE2 GLU A 98 -11.132 123.978 53.874 1.00 49.03 O +ATOM 658 N ARG A 99 -9.213 127.169 49.688 1.00 61.89 N +ATOM 659 CA ARG A 99 -8.627 128.505 49.564 1.00 63.06 C +ATOM 660 C ARG A 99 -8.185 128.994 50.941 1.00 60.96 C +ATOM 661 O ARG A 99 -9.018 129.154 51.826 1.00 58.30 O +ATOM 662 CB ARG A 99 -9.646 129.437 48.899 1.00 61.24 C +ATOM 663 CG ARG A 99 -9.035 130.793 48.528 1.00 54.78 C +ATOM 664 CD ARG A 99 -10.083 131.652 47.815 1.00 54.94 C +ATOM 665 NE ARG A 99 -9.505 132.885 47.275 1.00 53.13 N +ATOM 666 CZ ARG A 99 -10.141 133.826 46.624 1.00 47.07 C +ATOM 667 NH1 ARG A 99 -11.424 133.758 46.393 1.00 48.39 N +ATOM 668 NH2 ARG A 99 -9.503 134.868 46.174 1.00 46.66 N +ATOM 669 N GLY A 100 -6.886 129.276 51.097 1.00 62.85 N +ATOM 670 CA GLY A 100 -6.322 129.840 52.322 1.00 63.01 C +ATOM 671 C GLY A 100 -6.842 131.250 52.621 1.00 63.42 C +ATOM 672 O GLY A 100 -7.272 131.977 51.717 1.00 61.16 O +ATOM 673 N PHE A 101 -6.754 131.693 53.925 1.00 60.85 N +ATOM 674 CA PHE A 101 -7.011 133.067 54.360 1.00 64.20 C +ATOM 675 C PHE A 101 -6.029 134.054 53.695 1.00 63.55 C +ATOM 676 O PHE A 101 -4.973 133.645 53.220 1.00 61.89 O +ATOM 677 CB PHE A 101 -6.968 133.126 55.903 1.00 62.55 C +ATOM 678 CG PHE A 101 -8.110 132.409 56.577 1.00 58.19 C +ATOM 679 CD1 PHE A 101 -9.355 133.050 56.752 1.00 55.68 C +ATOM 680 CD2 PHE A 101 -7.946 131.087 57.040 1.00 54.14 C +ATOM 681 CE1 PHE A 101 -10.425 132.379 57.365 1.00 49.49 C +ATOM 682 CE2 PHE A 101 -9.023 130.415 57.651 1.00 51.46 C +ATOM 683 CZ PHE A 101 -10.258 131.058 57.813 1.00 51.13 C +ATOM 684 N PRO A 102 -6.312 135.311 53.639 1.00 60.98 N +ATOM 685 CA PRO A 102 -5.667 136.275 52.725 1.00 64.27 C +ATOM 686 C PRO A 102 -4.133 136.403 52.781 1.00 63.34 C +ATOM 687 O PRO A 102 -3.565 137.133 51.969 1.00 60.94 O +ATOM 688 CB PRO A 102 -6.325 137.632 53.023 1.00 63.27 C +ATOM 689 CG PRO A 102 -7.695 137.261 53.578 1.00 58.60 C +ATOM 690 CD PRO A 102 -7.427 135.973 54.327 1.00 60.28 C +ATOM 691 N SER A 103 -3.456 135.690 53.667 1.00 57.43 N +ATOM 692 CA SER A 103 -1.996 135.784 53.816 1.00 60.98 C +ATOM 693 C SER A 103 -1.241 134.493 53.480 1.00 60.21 C +ATOM 694 O SER A 103 -0.011 134.532 53.401 1.00 58.31 O +ATOM 695 CB SER A 103 -1.655 136.249 55.243 1.00 59.09 C +ATOM 696 OG SER A 103 -2.379 137.421 55.548 1.00 52.57 O +ATOM 697 N GLU A 104 -1.918 133.429 53.250 1.00 59.59 N +ATOM 698 CA GLU A 104 -1.257 132.164 52.937 1.00 63.27 C +ATOM 699 C GLU A 104 -1.910 131.465 51.735 1.00 62.96 C +ATOM 700 O GLU A 104 -3.130 131.357 51.617 1.00 61.68 O +ATOM 701 CB GLU A 104 -1.213 131.235 54.162 1.00 60.31 C +ATOM 702 CG GLU A 104 -0.292 131.774 55.274 1.00 53.98 C +ATOM 703 CD GLU A 104 -0.082 130.801 56.438 1.00 51.49 C +ATOM 704 OE1 GLU A 104 0.838 131.063 57.244 1.00 49.13 O +ATOM 705 OE2 GLU A 104 -0.840 129.802 56.522 1.00 47.55 O +ATOM 706 N ARG A 105 -1.049 130.990 50.827 1.00 62.77 N +ATOM 707 CA ARG A 105 -1.509 130.196 49.687 1.00 64.27 C +ATOM 708 C ARG A 105 -1.925 128.819 50.170 1.00 62.87 C +ATOM 709 O ARG A 105 -1.140 128.147 50.824 1.00 59.36 O +ATOM 710 CB ARG A 105 -0.395 130.130 48.630 1.00 61.86 C +ATOM 711 CG ARG A 105 -0.849 129.455 47.324 1.00 55.26 C +ATOM 712 CD ARG A 105 0.286 129.468 46.297 1.00 54.87 C +ATOM 713 NE ARG A 105 -0.113 128.932 44.995 1.00 52.70 N +ATOM 714 CZ ARG A 105 0.651 128.796 43.919 1.00 47.27 C +ATOM 715 NH1 ARG A 105 1.905 129.156 43.938 1.00 47.52 N +ATOM 716 NH2 ARG A 105 0.171 128.295 42.813 1.00 45.97 N +ATOM 717 N GLY A 106 -3.132 128.401 49.822 1.00 60.30 N +ATOM 718 CA GLY A 106 -3.615 127.077 50.162 1.00 61.30 C +ATOM 719 C GLY A 106 -2.652 125.983 49.687 1.00 61.27 C +ATOM 720 O GLY A 106 -2.100 126.071 48.586 1.00 59.51 O +ATOM 721 N VAL A 107 -2.424 124.979 50.538 1.00 62.36 N +ATOM 722 CA VAL A 107 -1.590 123.823 50.192 1.00 65.85 C +ATOM 723 C VAL A 107 -2.245 123.016 49.073 1.00 64.16 C +ATOM 724 O VAL A 107 -3.464 122.850 49.016 1.00 62.34 O +ATOM 725 CB VAL A 107 -1.267 122.955 51.421 1.00 64.11 C +ATOM 726 CG1 VAL A 107 -0.288 123.676 52.350 1.00 59.09 C +ATOM 727 CG2 VAL A 107 -2.500 122.554 52.241 1.00 60.23 C +ATOM 728 N GLN A 108 -1.435 122.568 48.150 1.00 61.03 N +ATOM 729 CA GLN A 108 -1.918 121.691 47.096 1.00 63.53 C +ATOM 730 C GLN A 108 -2.381 120.363 47.686 1.00 60.96 C +ATOM 731 O GLN A 108 -1.705 119.804 48.557 1.00 58.34 O +ATOM 732 CB GLN A 108 -0.799 121.517 46.042 1.00 61.85 C +ATOM 733 CG GLN A 108 -1.258 120.687 44.833 1.00 57.07 C +ATOM 734 CD GLN A 108 -0.201 120.624 43.724 1.00 56.13 C +ATOM 735 OE1 GLN A 108 0.856 121.234 43.754 1.00 55.60 O +ATOM 736 NE2 GLN A 108 -0.472 119.892 42.660 1.00 51.66 N +ATOM 737 N GLY A 109 -3.507 119.862 47.258 1.00 60.09 N +ATOM 738 CA GLY A 109 -3.989 118.550 47.671 1.00 60.47 C +ATOM 739 C GLY A 109 -2.976 117.456 47.322 1.00 60.33 C +ATOM 740 O GLY A 109 -2.267 117.584 46.323 1.00 58.49 O +ATOM 741 N PRO A 110 -2.876 116.393 48.107 1.00 60.98 N +ATOM 742 CA PRO A 110 -1.962 115.295 47.837 1.00 63.29 C +ATOM 743 C PRO A 110 -2.264 114.666 46.466 1.00 60.60 C +ATOM 744 O PRO A 110 -3.419 114.663 46.031 1.00 59.16 O +ATOM 745 CB PRO A 110 -2.140 114.299 48.990 1.00 62.89 C +ATOM 746 CG PRO A 110 -3.564 114.564 49.454 1.00 60.85 C +ATOM 747 CD PRO A 110 -3.731 116.064 49.238 1.00 62.52 C +ATOM 748 N PRO A 111 -1.241 114.143 45.810 1.00 63.27 N +ATOM 749 CA PRO A 111 -1.459 113.373 44.594 1.00 65.05 C +ATOM 750 C PRO A 111 -2.472 112.249 44.830 1.00 60.99 C +ATOM 751 O PRO A 111 -2.539 111.672 45.918 1.00 59.47 O +ATOM 752 CB PRO A 111 -0.092 112.821 44.190 1.00 65.98 C +ATOM 753 CG PRO A 111 0.896 113.780 44.843 1.00 61.96 C +ATOM 754 CD PRO A 111 0.180 114.200 46.115 1.00 65.80 C +ATOM 755 N GLY A 112 -3.231 111.935 43.824 1.00 59.83 N +ATOM 756 CA GLY A 112 -4.093 110.758 43.846 1.00 61.12 C +ATOM 757 C GLY A 112 -3.268 109.481 44.029 1.00 61.95 C +ATOM 758 O GLY A 112 -2.133 109.402 43.579 1.00 59.99 O +ATOM 759 N LYS A 113 -3.832 108.511 44.715 1.00 62.76 N +ATOM 760 CA LYS A 113 -3.168 107.214 44.893 1.00 66.41 C +ATOM 761 C LYS A 113 -2.976 106.547 43.538 1.00 65.48 C +ATOM 762 O LYS A 113 -3.843 106.647 42.667 1.00 64.09 O +ATOM 763 CB LYS A 113 -3.986 106.292 45.819 1.00 63.59 C +ATOM 764 CG LYS A 113 -4.090 106.827 47.257 1.00 58.96 C +ATOM 765 CD LYS A 113 -4.856 105.821 48.129 1.00 57.96 C +ATOM 766 CE LYS A 113 -4.999 106.335 49.556 1.00 54.39 C +ATOM 767 NZ LYS A 113 -5.748 105.367 50.401 1.00 48.75 N +ATOM 768 N ASP A 114 -1.838 105.865 43.389 1.00 66.91 N +ATOM 769 CA ASP A 114 -1.623 105.036 42.217 1.00 68.77 C +ATOM 770 C ASP A 114 -2.738 103.992 42.088 1.00 67.13 C +ATOM 771 O ASP A 114 -3.242 103.468 43.088 1.00 63.51 O +ATOM 772 CB ASP A 114 -0.244 104.364 42.265 1.00 65.78 C +ATOM 773 CG ASP A 114 0.920 105.347 42.155 1.00 61.94 C +ATOM 774 OD1 ASP A 114 0.728 106.407 41.514 1.00 59.73 O +ATOM 775 OD2 ASP A 114 1.992 105.048 42.717 1.00 58.53 O +ATOM 776 N GLY A 115 -3.121 103.720 40.872 1.00 62.46 N +ATOM 777 CA GLY A 115 -4.089 102.675 40.598 1.00 62.99 C +ATOM 778 C GLY A 115 -3.575 101.312 41.063 1.00 63.34 C +ATOM 779 O GLY A 115 -2.385 101.017 40.965 1.00 61.16 O +ATOM 780 N GLU A 116 -4.456 100.511 41.575 1.00 57.77 N +ATOM 781 CA GLU A 116 -4.105 99.153 41.977 1.00 60.82 C +ATOM 782 C GLU A 116 -3.597 98.350 40.782 1.00 58.40 C +ATOM 783 O GLU A 116 -4.051 98.505 39.643 1.00 57.57 O +ATOM 784 CB GLU A 116 -5.294 98.450 42.666 1.00 59.96 C +ATOM 785 CG GLU A 116 -5.666 99.117 44.002 1.00 56.23 C +ATOM 786 CD GLU A 116 -6.749 98.382 44.797 1.00 54.45 C +ATOM 787 OE1 GLU A 116 -6.902 98.725 45.997 1.00 53.20 O +ATOM 788 OE2 GLU A 116 -7.424 97.493 44.226 1.00 51.82 O +ATOM 789 N ALA A 117 -2.609 97.487 41.021 1.00 65.65 N +ATOM 790 CA ALA A 117 -2.117 96.597 39.984 1.00 66.03 C +ATOM 791 C ALA A 117 -3.249 95.677 39.511 1.00 64.16 C +ATOM 792 O ALA A 117 -4.008 95.147 40.320 1.00 61.04 O +ATOM 793 CB ALA A 117 -0.908 95.804 40.509 1.00 64.17 C +ATOM 794 N GLY A 118 -3.313 95.508 38.229 1.00 59.75 N +ATOM 795 CA GLY A 118 -4.283 94.589 37.661 1.00 61.03 C +ATOM 796 C GLY A 118 -4.115 93.178 38.218 1.00 61.29 C +ATOM 797 O GLY A 118 -2.996 92.716 38.452 1.00 59.68 O +ATOM 798 N ALA A 119 -5.222 92.503 38.426 1.00 60.34 N +ATOM 799 CA ALA A 119 -5.213 91.118 38.895 1.00 63.28 C +ATOM 800 C ALA A 119 -4.452 90.221 37.901 1.00 62.12 C +ATOM 801 O ALA A 119 -4.483 90.425 36.684 1.00 60.32 O +ATOM 802 CB ALA A 119 -6.657 90.648 39.112 1.00 61.77 C +ATOM 803 N GLN A 120 -3.766 89.220 38.430 1.00 58.21 N +ATOM 804 CA GLN A 120 -3.128 88.219 37.582 1.00 61.02 C +ATOM 805 C GLN A 120 -4.191 87.492 36.759 1.00 59.17 C +ATOM 806 O GLN A 120 -5.239 87.121 37.272 1.00 56.86 O +ATOM 807 CB GLN A 120 -2.296 87.257 38.456 1.00 60.11 C +ATOM 808 CG GLN A 120 -1.510 86.244 37.617 1.00 56.77 C +ATOM 809 CD GLN A 120 -0.572 85.370 38.456 1.00 55.95 C +ATOM 810 OE1 GLN A 120 -0.460 85.468 39.665 1.00 56.61 O +ATOM 811 NE2 GLN A 120 0.166 84.470 37.832 1.00 52.78 N +ATOM 812 N GLY A 121 -3.916 87.296 35.497 1.00 58.35 N +ATOM 813 CA GLY A 121 -4.807 86.541 34.626 1.00 59.97 C +ATOM 814 C GLY A 121 -5.027 85.117 35.142 1.00 60.20 C +ATOM 815 O GLY A 121 -4.146 84.551 35.793 1.00 59.02 O +ATOM 816 N PRO A 122 -6.175 84.547 34.855 1.00 60.38 N +ATOM 817 CA PRO A 122 -6.464 83.179 35.257 1.00 62.42 C +ATOM 818 C PRO A 122 -5.453 82.205 34.642 1.00 60.46 C +ATOM 819 O PRO A 122 -4.883 82.456 33.569 1.00 58.97 O +ATOM 820 CB PRO A 122 -7.902 82.893 34.781 1.00 62.02 C +ATOM 821 CG PRO A 122 -8.072 83.847 33.595 1.00 60.56 C +ATOM 822 CD PRO A 122 -7.239 85.066 34.017 1.00 63.36 C +ATOM 823 N ALA A 123 -5.221 81.091 35.311 1.00 61.96 N +ATOM 824 CA ALA A 123 -4.418 80.018 34.744 1.00 62.53 C +ATOM 825 C ALA A 123 -5.035 79.528 33.425 1.00 61.15 C +ATOM 826 O ALA A 123 -6.253 79.442 33.301 1.00 58.27 O +ATOM 827 CB ALA A 123 -4.280 78.889 35.769 1.00 61.07 C +ATOM 828 N GLY A 124 -4.187 79.229 32.462 1.00 57.58 N +ATOM 829 CA GLY A 124 -4.627 78.653 31.201 1.00 59.29 C +ATOM 830 C GLY A 124 -5.370 77.334 31.407 1.00 59.51 C +ATOM 831 O GLY A 124 -5.120 76.626 32.383 1.00 58.25 O +ATOM 832 N PRO A 125 -6.275 77.021 30.508 1.00 58.11 N +ATOM 833 CA PRO A 125 -6.994 75.757 30.592 1.00 61.24 C +ATOM 834 C PRO A 125 -6.028 74.574 30.531 1.00 59.48 C +ATOM 835 O PRO A 125 -4.951 74.642 29.924 1.00 58.57 O +ATOM 836 CB PRO A 125 -7.983 75.761 29.416 1.00 60.78 C +ATOM 837 CG PRO A 125 -7.304 76.672 28.390 1.00 58.95 C +ATOM 838 CD PRO A 125 -6.590 77.705 29.268 1.00 61.43 C +ATOM 839 N MET A 126 -6.400 73.466 31.162 1.00 61.45 N +ATOM 840 CA MET A 126 -5.654 72.221 31.055 1.00 62.90 C +ATOM 841 C MET A 126 -5.634 71.751 29.600 1.00 62.57 C +ATOM 842 O MET A 126 -6.650 71.816 28.918 1.00 59.39 O +ATOM 843 CB MET A 126 -6.271 71.178 31.995 1.00 61.03 C +ATOM 844 CG MET A 126 -5.468 69.870 32.064 1.00 56.22 C +ATOM 845 SD MET A 126 -6.126 68.730 33.304 1.00 54.07 S +ATOM 846 CE MET A 126 -4.966 67.366 33.093 1.00 52.13 C +ATOM 847 N GLY A 127 -4.486 71.303 29.133 1.00 57.46 N +ATOM 848 CA GLY A 127 -4.359 70.749 27.793 1.00 59.49 C +ATOM 849 C GLY A 127 -5.287 69.552 27.578 1.00 59.80 C +ATOM 850 O GLY A 127 -5.656 68.869 28.537 1.00 58.61 O +ATOM 851 N PRO A 128 -5.666 69.308 26.336 1.00 60.78 N +ATOM 852 CA PRO A 128 -6.503 68.156 26.027 1.00 63.84 C +ATOM 853 C PRO A 128 -5.813 66.855 26.447 1.00 62.86 C +ATOM 854 O PRO A 128 -4.579 66.757 26.486 1.00 61.46 O +ATOM 855 CB PRO A 128 -6.754 68.220 24.516 1.00 62.63 C +ATOM 856 CG PRO A 128 -5.537 68.981 23.990 1.00 60.71 C +ATOM 857 CD PRO A 128 -5.225 69.963 25.120 1.00 63.10 C +ATOM 858 N ALA A 129 -6.606 65.850 26.764 1.00 65.38 N +ATOM 859 CA ALA A 129 -6.062 64.522 27.029 1.00 67.41 C +ATOM 860 C ALA A 129 -5.338 63.990 25.781 1.00 67.59 C +ATOM 861 O ALA A 129 -5.811 64.182 24.665 1.00 64.93 O +ATOM 862 CB ALA A 129 -7.193 63.588 27.474 1.00 64.46 C +ATOM 863 N GLY A 130 -4.225 63.323 26.007 1.00 59.69 N +ATOM 864 CA GLY A 130 -3.500 62.688 24.920 1.00 62.30 C +ATOM 865 C GLY A 130 -4.365 61.657 24.186 1.00 63.89 C +ATOM 866 O GLY A 130 -5.245 61.026 24.780 1.00 62.24 O +ATOM 867 N GLU A 131 -4.105 61.510 22.906 1.00 59.20 N +ATOM 868 CA GLU A 131 -4.817 60.529 22.085 1.00 63.64 C +ATOM 869 C GLU A 131 -4.598 59.108 22.614 1.00 62.83 C +ATOM 870 O GLU A 131 -3.567 58.762 23.201 1.00 61.82 O +ATOM 871 CB GLU A 131 -4.417 60.641 20.606 1.00 61.37 C +ATOM 872 CG GLU A 131 -4.859 61.994 20.010 1.00 56.77 C +ATOM 873 CD GLU A 131 -4.666 62.090 18.484 1.00 54.27 C +ATOM 874 OE1 GLU A 131 -5.294 63.006 17.891 1.00 51.89 O +ATOM 875 OE2 GLU A 131 -3.919 61.254 17.929 1.00 50.11 O +ATOM 876 N ARG A 132 -5.610 58.263 22.439 1.00 66.05 N +ATOM 877 CA ARG A 132 -5.500 56.858 22.823 1.00 68.97 C +ATOM 878 C ARG A 132 -4.480 56.176 21.921 1.00 68.38 C +ATOM 879 O ARG A 132 -4.579 56.310 20.713 1.00 65.50 O +ATOM 880 CB ARG A 132 -6.884 56.190 22.751 1.00 65.52 C +ATOM 881 CG ARG A 132 -6.845 54.737 23.236 1.00 59.28 C +ATOM 882 CD ARG A 132 -8.246 54.138 23.176 1.00 59.12 C +ATOM 883 NE ARG A 132 -8.261 52.757 23.666 1.00 57.13 N +ATOM 884 CZ ARG A 132 -9.319 51.979 23.772 1.00 51.66 C +ATOM 885 NH1 ARG A 132 -10.510 52.371 23.405 1.00 51.93 N +ATOM 886 NH2 ARG A 132 -9.200 50.764 24.246 1.00 50.46 N +ATOM 887 N GLY A 133 -3.570 55.425 22.511 1.00 64.68 N +ATOM 888 CA GLY A 133 -2.606 54.652 21.736 1.00 65.88 C +ATOM 889 C GLY A 133 -3.289 53.737 20.721 1.00 67.14 C +ATOM 890 O GLY A 133 -4.393 53.233 20.958 1.00 65.33 O +ATOM 891 N GLU A 134 -2.628 53.545 19.587 1.00 60.02 N +ATOM 892 CA GLU A 134 -3.126 52.669 18.521 1.00 64.41 C +ATOM 893 C GLU A 134 -3.331 51.244 19.034 1.00 63.46 C +ATOM 894 O GLU A 134 -2.653 50.749 19.945 1.00 62.22 O +ATOM 895 CB GLU A 134 -2.195 52.681 17.300 1.00 62.12 C +ATOM 896 CG GLU A 134 -2.152 54.072 16.624 1.00 57.63 C +ATOM 897 CD GLU A 134 -1.389 54.068 15.282 1.00 55.31 C +ATOM 898 OE1 GLU A 134 -1.611 55.033 14.514 1.00 52.95 O +ATOM 899 OE2 GLU A 134 -0.630 53.106 15.044 1.00 51.46 O +ATOM 900 N LYS A 135 -4.343 50.578 18.468 1.00 70.01 N +ATOM 901 CA LYS A 135 -4.620 49.184 18.813 1.00 72.55 C +ATOM 902 C LYS A 135 -3.451 48.318 18.343 1.00 71.95 C +ATOM 903 O LYS A 135 -3.052 48.420 17.190 1.00 69.82 O +ATOM 904 CB LYS A 135 -5.958 48.764 18.188 1.00 68.47 C +ATOM 905 CG LYS A 135 -6.374 47.340 18.596 1.00 62.71 C +ATOM 906 CD LYS A 135 -7.714 46.974 17.954 1.00 62.17 C +ATOM 907 CE LYS A 135 -8.091 45.542 18.327 1.00 59.13 C +ATOM 908 NZ LYS A 135 -9.328 45.104 17.636 1.00 53.51 N +ATOM 909 N GLY A 136 -2.962 47.454 19.213 1.00 65.06 N +ATOM 910 CA GLY A 136 -1.921 46.505 18.826 1.00 65.43 C +ATOM 911 C GLY A 136 -2.330 45.651 17.623 1.00 66.35 C +ATOM 912 O GLY A 136 -3.502 45.310 17.465 1.00 64.00 O +ATOM 913 N GLU A 137 -1.354 45.324 16.777 1.00 62.40 N +ATOM 914 CA GLU A 137 -1.585 44.494 15.595 1.00 66.17 C +ATOM 915 C GLU A 137 -2.139 43.112 15.996 1.00 65.18 C +ATOM 916 O GLU A 137 -1.771 42.561 17.041 1.00 63.52 O +ATOM 917 CB GLU A 137 -0.316 44.338 14.754 1.00 63.76 C +ATOM 918 CG GLU A 137 0.137 45.668 14.111 1.00 59.64 C +ATOM 919 CD GLU A 137 1.282 45.478 13.096 1.00 57.01 C +ATOM 920 OE1 GLU A 137 1.446 46.381 12.244 1.00 54.43 O +ATOM 921 OE2 GLU A 137 1.964 44.426 13.162 1.00 52.74 O +ATOM 922 N PRO A 138 -3.026 42.530 15.178 1.00 68.49 N +ATOM 923 CA PRO A 138 -3.480 41.167 15.400 1.00 70.56 C +ATOM 924 C PRO A 138 -2.299 40.198 15.457 1.00 69.68 C +ATOM 925 O PRO A 138 -1.374 40.283 14.648 1.00 67.07 O +ATOM 926 CB PRO A 138 -4.426 40.834 14.234 1.00 69.22 C +ATOM 927 CG PRO A 138 -4.898 42.208 13.747 1.00 65.23 C +ATOM 928 CD PRO A 138 -3.689 43.104 14.007 1.00 69.40 C +ATOM 929 N GLY A 139 -2.359 39.245 16.384 1.00 61.25 N +ATOM 930 CA GLY A 139 -1.361 38.185 16.436 1.00 62.30 C +ATOM 931 C GLY A 139 -1.301 37.398 15.123 1.00 62.99 C +ATOM 932 O GLY A 139 -2.319 37.181 14.464 1.00 60.90 O +ATOM 933 N THR A 140 -0.106 36.958 14.761 1.00 61.23 N +ATOM 934 CA THR A 140 0.093 36.153 13.547 1.00 63.92 C +ATOM 935 C THR A 140 -0.696 34.846 13.641 1.00 62.01 C +ATOM 936 O THR A 140 -0.799 34.223 14.701 1.00 59.90 O +ATOM 937 CB THR A 140 1.574 35.876 13.274 1.00 62.57 C +ATOM 938 OG1 THR A 140 2.186 35.304 14.407 1.00 59.04 O +ATOM 939 CG2 THR A 140 2.338 37.157 12.962 1.00 59.86 C +ATOM 940 N GLN A 141 -1.262 34.420 12.505 1.00 65.23 N +ATOM 941 CA GLN A 141 -1.965 33.146 12.447 1.00 68.26 C +ATOM 942 C GLN A 141 -0.995 32.002 12.780 1.00 66.83 C +ATOM 943 O GLN A 141 0.117 31.956 12.255 1.00 63.18 O +ATOM 944 CB GLN A 141 -2.608 32.982 11.061 1.00 65.18 C +ATOM 945 CG GLN A 141 -3.482 31.722 10.959 1.00 61.34 C +ATOM 946 CD GLN A 141 -4.229 31.602 9.631 1.00 59.40 C +ATOM 947 OE1 GLN A 141 -4.135 32.418 8.728 1.00 58.21 O +ATOM 948 NE2 GLN A 141 -5.015 30.564 9.458 1.00 54.41 N +ATOM 949 N GLY A 142 -1.429 31.071 13.634 1.00 58.95 N +ATOM 950 CA GLY A 142 -0.644 29.883 13.956 1.00 59.79 C +ATOM 951 C GLY A 142 -0.306 29.070 12.703 1.00 60.47 C +ATOM 952 O GLY A 142 -1.114 28.972 11.776 1.00 58.02 O +ATOM 953 N ALA A 143 0.885 28.489 12.690 1.00 61.97 N +ATOM 954 CA ALA A 143 1.299 27.619 11.594 1.00 65.42 C +ATOM 955 C ALA A 143 0.324 26.435 11.455 1.00 64.87 C +ATOM 956 O ALA A 143 -0.198 25.911 12.442 1.00 62.77 O +ATOM 957 CB ALA A 143 2.746 27.151 11.824 1.00 62.83 C +ATOM 958 N LYS A 144 0.061 26.031 10.202 1.00 68.21 N +ATOM 959 CA LYS A 144 -0.748 24.845 9.943 1.00 72.01 C +ATOM 960 C LYS A 144 -0.056 23.618 10.546 1.00 71.30 C +ATOM 961 O LYS A 144 1.144 23.452 10.346 1.00 68.59 O +ATOM 962 CB LYS A 144 -0.963 24.700 8.425 1.00 67.51 C +ATOM 963 CG LYS A 144 -1.909 23.545 8.077 1.00 60.77 C +ATOM 964 CD LYS A 144 -2.169 23.510 6.571 1.00 60.44 C +ATOM 965 CE LYS A 144 -3.124 22.361 6.240 1.00 57.48 C +ATOM 966 NZ LYS A 144 -3.445 22.331 4.790 1.00 51.70 N +ATOM 967 N GLY A 145 -0.810 22.779 11.242 1.00 58.85 N +ATOM 968 CA GLY A 145 -0.272 21.538 11.790 1.00 60.66 C +ATOM 969 C GLY A 145 0.315 20.633 10.705 1.00 62.94 C +ATOM 970 O GLY A 145 -0.176 20.606 9.570 1.00 59.83 O +ATOM 971 N ASP A 146 1.362 19.908 11.070 1.00 62.85 N +ATOM 972 CA ASP A 146 2.004 18.965 10.157 1.00 67.54 C +ATOM 973 C ASP A 146 1.023 17.876 9.717 1.00 66.82 C +ATOM 974 O ASP A 146 0.095 17.484 10.436 1.00 64.65 O +ATOM 975 CB ASP A 146 3.264 18.354 10.793 1.00 64.16 C +ATOM 976 CG ASP A 146 4.368 19.395 11.024 1.00 60.66 C +ATOM 977 OD1 ASP A 146 4.547 20.259 10.129 1.00 58.07 O +ATOM 978 OD2 ASP A 146 5.017 19.318 12.086 1.00 55.70 O +ATOM 979 N ARG A 147 1.208 17.389 8.492 1.00 67.53 N +ATOM 980 CA ARG A 147 0.410 16.270 7.983 1.00 71.60 C +ATOM 981 C ARG A 147 0.716 15.025 8.809 1.00 69.84 C +ATOM 982 O ARG A 147 1.881 14.677 8.943 1.00 65.84 O +ATOM 983 CB ARG A 147 0.700 16.072 6.484 1.00 67.85 C +ATOM 984 CG ARG A 147 -0.123 14.926 5.881 1.00 62.30 C +ATOM 985 CD ARG A 147 0.173 14.810 4.383 1.00 62.60 C +ATOM 986 NE ARG A 147 -0.549 13.693 3.777 1.00 59.52 N +ATOM 987 CZ ARG A 147 -0.538 13.362 2.489 1.00 54.51 C +ATOM 988 NH1 ARG A 147 0.130 14.055 1.606 1.00 54.30 N +ATOM 989 NH2 ARG A 147 -1.187 12.319 2.068 1.00 52.29 N +ATOM 990 N GLY A 148 -0.327 14.346 9.278 1.00 61.28 N +ATOM 991 CA GLY A 148 -0.160 13.073 9.980 1.00 62.19 C +ATOM 992 C GLY A 148 0.632 12.060 9.152 1.00 63.64 C +ATOM 993 O GLY A 148 0.516 12.014 7.923 1.00 60.66 O +ATOM 994 N GLU A 149 1.451 11.258 9.836 1.00 60.66 N +ATOM 995 CA GLU A 149 2.240 10.209 9.201 1.00 65.13 C +ATOM 996 C GLU A 149 1.334 9.179 8.511 1.00 63.09 C +ATOM 997 O GLU A 149 0.195 8.918 8.914 1.00 61.21 O +ATOM 998 CB GLU A 149 3.182 9.531 10.205 1.00 63.22 C +ATOM 999 CG GLU A 149 4.248 10.499 10.750 1.00 59.66 C +ATOM 1000 CD GLU A 149 5.318 9.804 11.616 1.00 57.56 C +ATOM 1001 OE1 GLU A 149 6.378 10.434 11.814 1.00 55.40 O +ATOM 1002 OE2 GLU A 149 5.075 8.655 12.043 1.00 54.19 O +ATOM 1003 N THR A 150 1.841 8.608 7.417 1.00 74.79 N +ATOM 1004 CA THR A 150 1.124 7.535 6.727 1.00 74.83 C +ATOM 1005 C THR A 150 1.067 6.315 7.643 1.00 72.93 C +ATOM 1006 O THR A 150 2.104 5.896 8.155 1.00 68.63 O +ATOM 1007 CB THR A 150 1.800 7.189 5.397 1.00 72.00 C +ATOM 1008 OG1 THR A 150 1.868 8.345 4.592 1.00 67.08 O +ATOM 1009 CG2 THR A 150 1.033 6.148 4.595 1.00 66.81 C +ATOM 1010 N GLY A 151 -0.128 5.748 7.828 1.00 62.48 N +ATOM 1011 CA GLY A 151 -0.284 4.537 8.630 1.00 63.52 C +ATOM 1012 C GLY A 151 0.611 3.393 8.137 1.00 64.80 C +ATOM 1013 O GLY A 151 0.937 3.313 6.948 1.00 62.76 O +ATOM 1014 N PRO A 152 1.015 2.482 9.042 1.00 66.59 N +ATOM 1015 CA PRO A 152 1.858 1.354 8.683 1.00 69.74 C +ATOM 1016 C PRO A 152 1.186 0.472 7.624 1.00 68.41 C +ATOM 1017 O PRO A 152 -0.038 0.345 7.567 1.00 66.23 O +ATOM 1018 CB PRO A 152 2.127 0.601 9.994 1.00 67.99 C +ATOM 1019 CG PRO A 152 0.919 0.964 10.856 1.00 65.97 C +ATOM 1020 CD PRO A 152 0.611 2.401 10.434 1.00 68.77 C +ATOM 1021 N VAL A 153 2.003 -0.160 6.782 1.00 73.41 N +ATOM 1022 CA VAL A 153 1.506 -1.131 5.809 1.00 75.52 C +ATOM 1023 C VAL A 153 0.859 -2.297 6.560 1.00 75.00 C +ATOM 1024 O VAL A 153 1.455 -2.840 7.487 1.00 72.05 O +ATOM 1025 CB VAL A 153 2.630 -1.622 4.881 1.00 72.10 C +ATOM 1026 CG1 VAL A 153 2.153 -2.670 3.873 1.00 65.33 C +ATOM 1027 CG2 VAL A 153 3.221 -0.460 4.075 1.00 67.46 C +ATOM 1028 N GLY A 154 -0.354 -2.667 6.146 1.00 63.29 N +ATOM 1029 CA GLY A 154 -1.056 -3.802 6.741 1.00 65.61 C +ATOM 1030 C GLY A 154 -0.250 -5.105 6.663 1.00 67.92 C +ATOM 1031 O GLY A 154 0.564 -5.285 5.741 1.00 66.66 O +ATOM 1032 N PRO A 155 -0.456 -6.035 7.615 1.00 66.75 N +ATOM 1033 CA PRO A 155 0.262 -7.300 7.632 1.00 70.16 C +ATOM 1034 C PRO A 155 0.035 -8.078 6.335 1.00 69.88 C +ATOM 1035 O PRO A 155 -1.007 -7.979 5.685 1.00 67.46 O +ATOM 1036 CB PRO A 155 -0.250 -8.051 8.871 1.00 67.79 C +ATOM 1037 CG PRO A 155 -1.637 -7.459 9.095 1.00 65.32 C +ATOM 1038 CD PRO A 155 -1.474 -6.007 8.653 1.00 67.47 C +ATOM 1039 N ARG A 156 1.038 -8.853 5.938 1.00 68.65 N +ATOM 1040 CA ARG A 156 0.896 -9.744 4.784 1.00 72.87 C +ATOM 1041 C ARG A 156 -0.204 -10.765 5.072 1.00 70.87 C +ATOM 1042 O ARG A 156 -0.199 -11.355 6.143 1.00 67.17 O +ATOM 1043 CB ARG A 156 2.247 -10.410 4.487 1.00 69.18 C +ATOM 1044 CG ARG A 156 2.190 -11.281 3.224 1.00 63.99 C +ATOM 1045 CD ARG A 156 3.571 -11.873 2.939 1.00 63.29 C +ATOM 1046 NE ARG A 156 3.548 -12.714 1.726 1.00 60.29 N +ATOM 1047 CZ ARG A 156 4.589 -13.299 1.169 1.00 54.59 C +ATOM 1048 NH1 ARG A 156 5.790 -13.193 1.675 1.00 54.09 N +ATOM 1049 NH2 ARG A 156 4.440 -14.010 0.097 1.00 52.23 N +ATOM 1050 N GLY A 157 -1.092 -10.975 4.098 1.00 63.78 N +ATOM 1051 CA GLY A 157 -2.132 -11.997 4.225 1.00 65.89 C +ATOM 1052 C GLY A 157 -1.551 -13.380 4.508 1.00 68.40 C +ATOM 1053 O GLY A 157 -0.449 -13.707 4.062 1.00 65.90 O +ATOM 1054 N GLU A 158 -2.299 -14.176 5.264 1.00 60.51 N +ATOM 1055 CA GLU A 158 -1.918 -15.548 5.599 1.00 66.04 C +ATOM 1056 C GLU A 158 -1.760 -16.394 4.334 1.00 64.54 C +ATOM 1057 O GLU A 158 -2.371 -16.147 3.288 1.00 62.65 O +ATOM 1058 CB GLU A 158 -2.922 -16.173 6.569 1.00 63.47 C +ATOM 1059 CG GLU A 158 -2.929 -15.439 7.925 1.00 59.26 C +ATOM 1060 CD GLU A 158 -3.815 -16.128 8.987 1.00 56.04 C +ATOM 1061 OE1 GLU A 158 -3.629 -15.767 10.168 1.00 53.58 O +ATOM 1062 OE2 GLU A 158 -4.636 -16.984 8.606 1.00 52.36 O +ATOM 1063 N ARG A 159 -0.869 -17.384 4.419 1.00 68.56 N +ATOM 1064 CA ARG A 159 -0.684 -18.318 3.317 1.00 71.56 C +ATOM 1065 C ARG A 159 -1.966 -19.118 3.132 1.00 69.28 C +ATOM 1066 O ARG A 159 -2.484 -19.641 4.106 1.00 65.37 O +ATOM 1067 CB ARG A 159 0.530 -19.218 3.598 1.00 68.38 C +ATOM 1068 CG ARG A 159 0.821 -20.176 2.438 1.00 63.67 C +ATOM 1069 CD ARG A 159 2.054 -21.026 2.745 1.00 63.33 C +ATOM 1070 NE ARG A 159 2.358 -21.948 1.646 1.00 60.79 N +ATOM 1071 CZ ARG A 159 3.344 -22.838 1.617 1.00 55.72 C +ATOM 1072 NH1 ARG A 159 4.175 -22.974 2.611 1.00 55.50 N +ATOM 1073 NH2 ARG A 159 3.493 -23.603 0.577 1.00 53.62 N +ATOM 1074 N GLY A 160 -2.437 -19.225 1.891 1.00 62.89 N +ATOM 1075 CA GLY A 160 -3.603 -20.057 1.596 1.00 63.96 C +ATOM 1076 C GLY A 160 -3.411 -21.500 2.053 1.00 65.61 C +ATOM 1077 O GLY A 160 -2.290 -22.024 2.035 1.00 62.71 O +ATOM 1078 N GLU A 161 -4.508 -22.133 2.472 1.00 57.27 N +ATOM 1079 CA GLU A 161 -4.510 -23.531 2.896 1.00 63.12 C +ATOM 1080 C GLU A 161 -4.019 -24.447 1.771 1.00 60.01 C +ATOM 1081 O GLU A 161 -4.195 -24.176 0.581 1.00 58.88 O +ATOM 1082 CB GLU A 161 -5.901 -23.951 3.384 1.00 62.01 C +ATOM 1083 CG GLU A 161 -6.336 -23.195 4.653 1.00 57.67 C +ATOM 1084 CD GLU A 161 -7.672 -23.705 5.229 1.00 55.02 C +ATOM 1085 OE1 GLU A 161 -7.933 -23.387 6.409 1.00 53.24 O +ATOM 1086 OE2 GLU A 161 -8.409 -24.401 4.495 1.00 52.79 O +ATOM 1087 N ALA A 162 -3.363 -25.532 2.168 1.00 68.26 N +ATOM 1088 CA ALA A 162 -2.958 -26.544 1.204 1.00 69.84 C +ATOM 1089 C ALA A 162 -4.201 -27.137 0.521 1.00 68.58 C +ATOM 1090 O ALA A 162 -5.203 -27.402 1.170 1.00 64.77 O +ATOM 1091 CB ALA A 162 -2.114 -27.616 1.903 1.00 67.31 C +ATOM 1092 N GLY A 163 -4.116 -27.334 -0.786 1.00 59.68 N +ATOM 1093 CA GLY A 163 -5.192 -27.987 -1.521 1.00 61.26 C +ATOM 1094 C GLY A 163 -5.475 -29.394 -0.971 1.00 61.71 C +ATOM 1095 O GLY A 163 -4.576 -30.045 -0.438 1.00 59.79 O +ATOM 1096 N PRO A 164 -6.719 -29.883 -1.115 1.00 57.96 N +ATOM 1097 CA PRO A 164 -7.082 -31.223 -0.662 1.00 62.50 C +ATOM 1098 C PRO A 164 -6.189 -32.276 -1.341 1.00 60.75 C +ATOM 1099 O PRO A 164 -5.768 -32.114 -2.487 1.00 59.12 O +ATOM 1100 CB PRO A 164 -8.562 -31.396 -0.999 1.00 62.26 C +ATOM 1101 CG PRO A 164 -8.776 -30.431 -2.169 1.00 60.43 C +ATOM 1102 CD PRO A 164 -7.817 -29.275 -1.835 1.00 62.80 C +ATOM 1103 N ALA A 165 -5.932 -33.364 -0.620 1.00 61.29 N +ATOM 1104 CA ALA A 165 -5.201 -34.485 -1.195 1.00 64.74 C +ATOM 1105 C ALA A 165 -5.937 -35.018 -2.436 1.00 62.97 C +ATOM 1106 O ALA A 165 -7.165 -35.095 -2.454 1.00 60.49 O +ATOM 1107 CB ALA A 165 -5.006 -35.573 -0.126 1.00 63.32 C +ATOM 1108 N GLY A 166 -5.174 -35.377 -3.463 1.00 57.49 N +ATOM 1109 CA GLY A 166 -5.724 -36.032 -4.638 1.00 60.18 C +ATOM 1110 C GLY A 166 -6.433 -37.329 -4.255 1.00 61.20 C +ATOM 1111 O GLY A 166 -6.034 -38.013 -3.313 1.00 59.50 O +ATOM 1112 N LYS A 167 -7.494 -37.649 -4.982 1.00 57.55 N +ATOM 1113 CA LYS A 167 -8.217 -38.913 -4.779 1.00 64.14 C +ATOM 1114 C LYS A 167 -7.284 -40.090 -5.065 1.00 62.99 C +ATOM 1115 O LYS A 167 -6.466 -40.021 -5.976 1.00 61.54 O +ATOM 1116 CB LYS A 167 -9.472 -38.976 -5.665 1.00 61.30 C +ATOM 1117 CG LYS A 167 -10.514 -37.900 -5.304 1.00 56.81 C +ATOM 1118 CD LYS A 167 -11.753 -38.046 -6.197 1.00 55.30 C +ATOM 1119 CE LYS A 167 -12.777 -36.956 -5.876 1.00 51.65 C +ATOM 1120 NZ LYS A 167 -13.977 -37.057 -6.745 1.00 45.94 N +ATOM 1121 N ASP A 168 -7.440 -41.163 -4.294 1.00 62.21 N +ATOM 1122 CA ASP A 168 -6.734 -42.397 -4.579 1.00 66.75 C +ATOM 1123 C ASP A 168 -7.044 -42.871 -6.006 1.00 64.92 C +ATOM 1124 O ASP A 168 -8.179 -42.771 -6.467 1.00 61.30 O +ATOM 1125 CB ASP A 168 -7.079 -43.486 -3.552 1.00 63.80 C +ATOM 1126 CG ASP A 168 -6.545 -43.193 -2.151 1.00 60.00 C +ATOM 1127 OD1 ASP A 168 -5.494 -42.510 -2.045 1.00 57.09 O +ATOM 1128 OD2 ASP A 168 -7.171 -43.672 -1.172 1.00 55.55 O +ATOM 1129 N GLY A 169 -6.024 -43.348 -6.687 1.00 59.88 N +ATOM 1130 CA GLY A 169 -6.197 -43.915 -8.019 1.00 61.56 C +ATOM 1131 C GLY A 169 -7.158 -45.106 -7.990 1.00 63.22 C +ATOM 1132 O GLY A 169 -7.163 -45.897 -7.043 1.00 60.65 O +ATOM 1133 N GLU A 170 -7.948 -45.247 -9.040 1.00 51.22 N +ATOM 1134 CA GLU A 170 -8.845 -46.396 -9.176 1.00 57.74 C +ATOM 1135 C GLU A 170 -8.048 -47.709 -9.145 1.00 56.22 C +ATOM 1136 O GLU A 170 -6.931 -47.813 -9.658 1.00 55.27 O +ATOM 1137 CB GLU A 170 -9.705 -46.300 -10.444 1.00 57.21 C +ATOM 1138 CG GLU A 170 -10.694 -45.112 -10.377 1.00 52.77 C +ATOM 1139 CD GLU A 170 -11.683 -45.084 -11.556 1.00 49.05 C +ATOM 1140 OE1 GLU A 170 -12.675 -44.324 -11.438 1.00 46.78 O +ATOM 1141 OE2 GLU A 170 -11.447 -45.801 -12.555 1.00 46.07 O +ATOM 1142 N ARG A 171 -8.623 -48.728 -8.501 1.00 58.97 N +ATOM 1143 CA ARG A 171 -8.005 -50.045 -8.473 1.00 61.76 C +ATOM 1144 C ARG A 171 -7.888 -50.573 -9.900 1.00 58.79 C +ATOM 1145 O ARG A 171 -8.879 -50.617 -10.621 1.00 56.56 O +ATOM 1146 CB ARG A 171 -8.816 -50.977 -7.569 1.00 60.93 C +ATOM 1147 CG ARG A 171 -8.133 -52.346 -7.393 1.00 56.40 C +ATOM 1148 CD ARG A 171 -8.958 -53.211 -6.445 1.00 56.36 C +ATOM 1149 NE ARG A 171 -8.319 -54.513 -6.206 1.00 54.90 N +ATOM 1150 CZ ARG A 171 -8.790 -55.495 -5.453 1.00 49.83 C +ATOM 1151 NH1 ARG A 171 -9.933 -55.387 -4.838 1.00 50.35 N +ATOM 1152 NH2 ARG A 171 -8.104 -56.589 -5.298 1.00 48.65 N +ATOM 1153 N GLY A 172 -6.697 -50.986 -10.273 1.00 59.43 N +ATOM 1154 CA GLY A 172 -6.489 -51.579 -11.584 1.00 60.52 C +ATOM 1155 C GLY A 172 -7.412 -52.784 -11.832 1.00 61.10 C +ATOM 1156 O GLY A 172 -7.737 -53.507 -10.883 1.00 59.20 O +ATOM 1157 N PRO A 173 -7.829 -53.027 -13.079 1.00 55.37 N +ATOM 1158 CA PRO A 173 -8.668 -54.165 -13.405 1.00 59.72 C +ATOM 1159 C PRO A 173 -7.968 -55.474 -13.033 1.00 57.31 C +ATOM 1160 O PRO A 173 -6.742 -55.595 -13.088 1.00 56.60 O +ATOM 1161 CB PRO A 173 -8.963 -54.052 -14.906 1.00 60.12 C +ATOM 1162 CG PRO A 173 -7.773 -53.255 -15.436 1.00 57.81 C +ATOM 1163 CD PRO A 173 -7.445 -52.300 -14.281 1.00 59.28 C +ATOM 1164 N VAL A 174 -8.766 -56.473 -12.658 1.00 63.20 N +ATOM 1165 CA VAL A 174 -8.240 -57.825 -12.409 1.00 66.31 C +ATOM 1166 C VAL A 174 -7.595 -58.343 -13.694 1.00 64.21 C +ATOM 1167 O VAL A 174 -8.178 -58.248 -14.772 1.00 61.27 O +ATOM 1168 CB VAL A 174 -9.350 -58.774 -11.905 1.00 64.67 C +ATOM 1169 CG1 VAL A 174 -8.835 -60.192 -11.661 1.00 58.64 C +ATOM 1170 CG2 VAL A 174 -9.942 -58.267 -10.581 1.00 59.68 C +ATOM 1171 N GLY A 175 -6.387 -58.852 -13.558 1.00 56.15 N +ATOM 1172 CA GLY A 175 -5.690 -59.427 -14.708 1.00 57.50 C +ATOM 1173 C GLY A 175 -6.510 -60.551 -15.361 1.00 57.23 C +ATOM 1174 O GLY A 175 -7.189 -61.300 -14.654 1.00 55.86 O +ATOM 1175 N PRO A 176 -6.443 -60.703 -16.683 1.00 53.57 N +ATOM 1176 CA PRO A 176 -7.144 -61.780 -17.370 1.00 58.01 C +ATOM 1177 C PRO A 176 -6.670 -63.147 -16.858 1.00 55.88 C +ATOM 1178 O PRO A 176 -5.506 -63.313 -16.472 1.00 55.35 O +ATOM 1179 CB PRO A 176 -6.864 -61.573 -18.864 1.00 58.51 C +ATOM 1180 CG PRO A 176 -5.542 -60.823 -18.868 1.00 56.46 C +ATOM 1181 CD PRO A 176 -5.615 -59.954 -17.614 1.00 57.66 C +ATOM 1182 N ALA A 177 -7.568 -64.116 -16.873 1.00 58.67 N +ATOM 1183 CA ALA A 177 -7.196 -65.488 -16.539 1.00 62.13 C +ATOM 1184 C ALA A 177 -6.039 -65.965 -17.434 1.00 59.79 C +ATOM 1185 O ALA A 177 -5.975 -65.637 -18.621 1.00 57.85 O +ATOM 1186 CB ALA A 177 -8.436 -66.388 -16.670 1.00 61.26 C +ATOM 1187 N GLY A 178 -5.126 -66.699 -16.829 1.00 54.15 N +ATOM 1188 CA GLY A 178 -4.028 -67.293 -17.587 1.00 55.89 C +ATOM 1189 C GLY A 178 -4.575 -68.172 -18.710 1.00 55.74 C +ATOM 1190 O GLY A 178 -5.509 -68.935 -18.501 1.00 53.90 O +ATOM 1191 N LYS A 179 -4.006 -68.022 -19.892 1.00 51.35 N +ATOM 1192 CA LYS A 179 -4.364 -68.884 -21.023 1.00 57.02 C +ATOM 1193 C LYS A 179 -3.882 -70.301 -20.753 1.00 56.08 C +ATOM 1194 O LYS A 179 -2.809 -70.483 -20.180 1.00 55.12 O +ATOM 1195 CB LYS A 179 -3.791 -68.345 -22.335 1.00 56.10 C +ATOM 1196 CG LYS A 179 -4.373 -66.969 -22.712 1.00 52.51 C +ATOM 1197 CD LYS A 179 -3.871 -66.535 -24.086 1.00 51.10 C +ATOM 1198 CE LYS A 179 -4.462 -65.171 -24.460 1.00 47.72 C +ATOM 1199 NZ LYS A 179 -4.090 -64.778 -25.838 1.00 42.99 N +ATOM 1200 N ASP A 180 -4.659 -71.292 -21.188 1.00 54.31 N +ATOM 1201 CA ASP A 180 -4.239 -72.685 -21.138 1.00 57.99 C +ATOM 1202 C ASP A 180 -2.888 -72.860 -21.833 1.00 55.52 C +ATOM 1203 O ASP A 180 -2.589 -72.209 -22.836 1.00 53.58 O +ATOM 1204 CB ASP A 180 -5.315 -73.594 -21.758 1.00 57.05 C +ATOM 1205 CG ASP A 180 -6.626 -73.576 -20.974 1.00 54.12 C +ATOM 1206 OD1 ASP A 180 -6.555 -73.406 -19.734 1.00 51.98 O +ATOM 1207 OD2 ASP A 180 -7.682 -73.702 -21.618 1.00 51.22 O +ATOM 1208 N GLY A 181 -2.064 -73.711 -21.248 1.00 52.66 N +ATOM 1209 CA GLY A 181 -0.759 -74.011 -21.829 1.00 53.74 C +ATOM 1210 C GLY A 181 -0.942 -74.553 -23.247 1.00 53.72 C +ATOM 1211 O GLY A 181 -1.519 -75.614 -23.433 1.00 51.35 O +ATOM 1212 N GLN A 182 -0.479 -73.785 -24.216 1.00 44.70 N +ATOM 1213 CA GLN A 182 -0.457 -74.277 -25.590 1.00 48.21 C +ATOM 1214 C GLN A 182 0.690 -75.272 -25.736 1.00 48.23 C +ATOM 1215 O GLN A 182 1.773 -75.071 -25.186 1.00 47.61 O +ATOM 1216 CB GLN A 182 -0.359 -73.116 -26.592 1.00 47.32 C +ATOM 1217 CG GLN A 182 -1.635 -72.257 -26.581 1.00 44.06 C +ATOM 1218 CD GLN A 182 -1.655 -71.153 -27.635 1.00 41.43 C +ATOM 1219 OE1 GLN A 182 -0.706 -70.869 -28.336 1.00 39.05 O +ATOM 1220 NE2 GLN A 182 -2.757 -70.457 -27.788 1.00 37.98 N +ATOM 1221 N ASN A 183 0.449 -76.381 -26.485 1.00 50.78 N +ATOM 1222 CA ASN A 183 1.519 -77.273 -26.918 1.00 54.47 C +ATOM 1223 C ASN A 183 2.615 -76.444 -27.583 1.00 52.71 C +ATOM 1224 O ASN A 183 2.304 -75.495 -28.301 1.00 51.41 O +ATOM 1225 CB ASN A 183 0.951 -78.331 -27.889 1.00 53.73 C +ATOM 1226 CG ASN A 183 0.082 -79.367 -27.207 1.00 50.42 C +ATOM 1227 OD1 ASN A 183 0.169 -79.607 -26.018 1.00 48.34 O +ATOM 1228 ND2 ASN A 183 -0.773 -80.038 -27.939 1.00 47.20 N +ATOM 1229 N GLY A 184 3.859 -76.768 -27.283 1.00 46.30 N +ATOM 1230 CA GLY A 184 5.008 -76.009 -27.765 1.00 47.61 C +ATOM 1231 C GLY A 184 4.898 -75.728 -29.261 1.00 46.72 C +ATOM 1232 O GLY A 184 5.034 -76.629 -30.072 1.00 45.15 O +ATOM 1233 N GLN A 185 4.577 -74.507 -29.591 1.00 43.33 N +ATOM 1234 CA GLN A 185 4.643 -74.003 -30.953 1.00 46.84 C +ATOM 1235 C GLN A 185 6.000 -73.337 -31.128 1.00 46.84 C +ATOM 1236 O GLN A 185 6.556 -72.783 -30.174 1.00 46.39 O +ATOM 1237 CB GLN A 185 3.490 -73.024 -31.233 1.00 45.83 C +ATOM 1238 CG GLN A 185 2.136 -73.749 -31.301 1.00 42.42 C +ATOM 1239 CD GLN A 185 0.975 -72.841 -31.678 1.00 39.73 C +ATOM 1240 OE1 GLN A 185 1.067 -71.642 -31.844 1.00 37.55 O +ATOM 1241 NE2 GLN A 185 -0.220 -73.376 -31.825 1.00 36.60 N +ATOM 1242 N ASP A 186 6.517 -73.412 -32.351 1.00 46.27 N +ATOM 1243 CA ASP A 186 7.704 -72.660 -32.736 1.00 50.15 C +ATOM 1244 C ASP A 186 7.580 -71.212 -32.275 1.00 48.83 C +ATOM 1245 O ASP A 186 6.499 -70.620 -32.313 1.00 48.59 O +ATOM 1246 CB ASP A 186 7.902 -72.745 -34.261 1.00 50.38 C +ATOM 1247 CG ASP A 186 8.188 -74.166 -34.733 1.00 48.13 C +ATOM 1248 OD1 ASP A 186 8.901 -74.888 -33.998 1.00 46.44 O +ATOM 1249 OD2 ASP A 186 7.668 -74.531 -35.806 1.00 45.83 O +ATOM 1250 N GLY A 187 8.675 -70.648 -31.750 1.00 43.96 N +ATOM 1251 CA GLY A 187 8.684 -69.331 -31.118 1.00 45.83 C +ATOM 1252 C GLY A 187 7.974 -68.307 -32.001 1.00 44.79 C +ATOM 1253 O GLY A 187 8.366 -68.088 -33.142 1.00 43.28 O +ATOM 1254 N LEU A 188 6.908 -67.714 -31.462 1.00 43.00 N +ATOM 1255 CA LEU A 188 6.170 -66.686 -32.198 1.00 47.95 C +ATOM 1256 C LEU A 188 7.130 -65.538 -32.542 1.00 47.01 C +ATOM 1257 O LEU A 188 7.939 -65.156 -31.682 1.00 47.57 O +ATOM 1258 CB LEU A 188 4.979 -66.177 -31.367 1.00 48.23 C +ATOM 1259 CG LEU A 188 3.856 -67.210 -31.145 1.00 45.56 C +ATOM 1260 CD1 LEU A 188 2.840 -66.668 -30.156 1.00 44.32 C +ATOM 1261 CD2 LEU A 188 3.129 -67.555 -32.443 1.00 43.48 C +ATOM 1262 N PRO A 189 7.020 -64.960 -33.736 1.00 48.24 N +ATOM 1263 CA PRO A 189 7.760 -63.748 -34.068 1.00 50.84 C +ATOM 1264 C PRO A 189 7.573 -62.698 -32.972 1.00 48.85 C +ATOM 1265 O PRO A 189 6.483 -62.561 -32.406 1.00 49.56 O +ATOM 1266 CB PRO A 189 7.218 -63.268 -35.420 1.00 51.72 C +ATOM 1267 CG PRO A 189 6.681 -64.548 -36.068 1.00 50.11 C +ATOM 1268 CD PRO A 189 6.186 -65.371 -34.876 1.00 52.11 C +ATOM 1269 N GLY A 190 8.637 -61.994 -32.641 1.00 47.12 N +ATOM 1270 CA GLY A 190 8.570 -60.889 -31.691 1.00 49.10 C +ATOM 1271 C GLY A 190 7.448 -59.926 -32.087 1.00 48.76 C +ATOM 1272 O GLY A 190 7.285 -59.620 -33.266 1.00 47.10 O +ATOM 1273 N LYS A 191 6.656 -59.506 -31.118 1.00 47.56 N +ATOM 1274 CA LYS A 191 5.599 -58.529 -31.399 1.00 53.33 C +ATOM 1275 C LYS A 191 6.248 -57.225 -31.833 1.00 52.67 C +ATOM 1276 O LYS A 191 7.192 -56.791 -31.180 1.00 52.05 O +ATOM 1277 CB LYS A 191 4.702 -58.305 -30.178 1.00 52.62 C +ATOM 1278 CG LYS A 191 3.893 -59.549 -29.821 1.00 49.38 C +ATOM 1279 CD LYS A 191 2.965 -59.252 -28.643 1.00 47.77 C +ATOM 1280 CE LYS A 191 2.171 -60.497 -28.288 1.00 44.40 C +ATOM 1281 NZ LYS A 191 1.276 -60.236 -27.151 1.00 40.07 N +ATOM 1282 N ASP A 192 5.679 -56.590 -32.842 1.00 50.40 N +ATOM 1283 CA ASP A 192 6.072 -55.247 -33.228 1.00 54.98 C +ATOM 1284 C ASP A 192 6.060 -54.319 -32.009 1.00 53.13 C +ATOM 1285 O ASP A 192 5.226 -54.455 -31.099 1.00 51.89 O +ATOM 1286 CB ASP A 192 5.150 -54.719 -34.344 1.00 54.12 C +ATOM 1287 CG ASP A 192 5.218 -55.555 -35.627 1.00 51.21 C +ATOM 1288 OD1 ASP A 192 6.297 -56.135 -35.880 1.00 48.95 O +ATOM 1289 OD2 ASP A 192 4.181 -55.651 -36.302 1.00 47.71 O +ATOM 1290 N GLY A 193 7.021 -53.418 -31.944 1.00 50.32 N +ATOM 1291 CA GLY A 193 7.092 -52.402 -30.894 1.00 51.65 C +ATOM 1292 C GLY A 193 5.775 -51.635 -30.821 1.00 51.11 C +ATOM 1293 O GLY A 193 5.135 -51.374 -31.836 1.00 49.25 O +ATOM 1294 N LYS A 194 5.344 -51.312 -29.599 1.00 48.35 N +ATOM 1295 CA LYS A 194 4.129 -50.502 -29.453 1.00 53.40 C +ATOM 1296 C LYS A 194 4.381 -49.118 -30.046 1.00 52.18 C +ATOM 1297 O LYS A 194 5.415 -48.528 -29.748 1.00 51.76 O +ATOM 1298 CB LYS A 194 3.712 -50.371 -27.983 1.00 52.88 C +ATOM 1299 CG LYS A 194 3.247 -51.696 -27.374 1.00 49.45 C +ATOM 1300 CD LYS A 194 2.765 -51.453 -25.940 1.00 47.78 C +ATOM 1301 CE LYS A 194 2.274 -52.744 -25.308 1.00 44.59 C +ATOM 1302 NZ LYS A 194 1.758 -52.493 -23.936 1.00 40.74 N +ATOM 1303 N ASP A 195 3.393 -48.610 -30.795 1.00 50.32 N +ATOM 1304 CA ASP A 195 3.433 -47.238 -31.283 1.00 54.57 C +ATOM 1305 C ASP A 195 3.737 -46.265 -30.141 1.00 52.54 C +ATOM 1306 O ASP A 195 3.275 -46.436 -29.006 1.00 51.27 O +ATOM 1307 CB ASP A 195 2.105 -46.868 -31.971 1.00 53.83 C +ATOM 1308 CG ASP A 195 1.804 -47.711 -33.209 1.00 51.16 C +ATOM 1309 OD1 ASP A 195 2.777 -48.159 -33.856 1.00 49.02 O +ATOM 1310 OD2 ASP A 195 0.605 -47.928 -33.472 1.00 47.33 O +ATOM 1311 N GLY A 196 4.549 -45.264 -30.435 1.00 48.96 N +ATOM 1312 CA GLY A 196 4.865 -44.203 -29.491 1.00 50.82 C +ATOM 1313 C GLY A 196 3.593 -43.508 -29.001 1.00 50.24 C +ATOM 1314 O GLY A 196 2.637 -43.318 -29.745 1.00 48.49 O +ATOM 1315 N GLN A 197 3.560 -43.157 -27.725 1.00 46.42 N +ATOM 1316 CA GLN A 197 2.423 -42.408 -27.192 1.00 50.83 C +ATOM 1317 C GLN A 197 2.400 -41.009 -27.813 1.00 50.12 C +ATOM 1318 O GLN A 197 3.440 -40.356 -27.877 1.00 49.23 O +ATOM 1319 CB GLN A 197 2.477 -42.334 -25.660 1.00 50.24 C +ATOM 1320 CG GLN A 197 2.250 -43.704 -25.008 1.00 47.24 C +ATOM 1321 CD GLN A 197 2.233 -43.666 -23.483 1.00 43.75 C +ATOM 1322 OE1 GLN A 197 2.598 -42.716 -22.823 1.00 42.23 O +ATOM 1323 NE2 GLN A 197 1.812 -44.734 -22.841 1.00 39.96 N +ATOM 1324 N ASN A 198 1.214 -40.556 -28.213 1.00 53.76 N +ATOM 1325 CA ASN A 198 1.043 -39.189 -28.696 1.00 58.66 C +ATOM 1326 C ASN A 198 1.575 -38.181 -27.657 1.00 56.51 C +ATOM 1327 O ASN A 198 1.431 -38.376 -26.448 1.00 54.42 O +ATOM 1328 CB ASN A 198 -0.442 -38.918 -29.011 1.00 56.71 C +ATOM 1329 CG ASN A 198 -0.955 -39.701 -30.214 1.00 52.94 C +ATOM 1330 OD1 ASN A 198 -0.208 -40.187 -31.043 1.00 51.01 O +ATOM 1331 ND2 ASN A 198 -2.250 -39.849 -30.350 1.00 48.46 N +ATOM 1332 N GLY A 199 2.196 -37.123 -28.137 1.00 51.53 N +ATOM 1333 CA GLY A 199 2.632 -36.012 -27.294 1.00 53.52 C +ATOM 1334 C GLY A 199 1.452 -35.405 -26.537 1.00 52.97 C +ATOM 1335 O GLY A 199 0.330 -35.385 -27.035 1.00 51.60 O +ATOM 1336 N LYS A 200 1.714 -34.947 -25.320 1.00 50.77 N +ATOM 1337 CA LYS A 200 0.678 -34.235 -24.557 1.00 56.92 C +ATOM 1338 C LYS A 200 0.420 -32.875 -25.198 1.00 55.45 C +ATOM 1339 O LYS A 200 1.372 -32.199 -25.580 1.00 55.05 O +ATOM 1340 CB LYS A 200 1.080 -34.073 -23.086 1.00 56.27 C +ATOM 1341 CG LYS A 200 1.165 -35.413 -22.342 1.00 53.21 C +ATOM 1342 CD LYS A 200 1.442 -35.185 -20.856 1.00 50.89 C +ATOM 1343 CE LYS A 200 1.503 -36.524 -20.119 1.00 48.07 C +ATOM 1344 NZ LYS A 200 1.649 -36.337 -18.649 1.00 43.01 N +ATOM 1345 N ASP A 201 -0.851 -32.470 -25.230 1.00 55.20 N +ATOM 1346 CA ASP A 201 -1.224 -31.129 -25.673 1.00 60.36 C +ATOM 1347 C ASP A 201 -0.448 -30.057 -24.907 1.00 58.40 C +ATOM 1348 O ASP A 201 -0.153 -30.197 -23.716 1.00 55.47 O +ATOM 1349 CB ASP A 201 -2.741 -30.915 -25.530 1.00 58.69 C +ATOM 1350 CG ASP A 201 -3.581 -31.850 -26.398 1.00 56.06 C +ATOM 1351 OD1 ASP A 201 -3.064 -32.283 -27.458 1.00 53.15 O +ATOM 1352 OD2 ASP A 201 -4.712 -32.158 -25.977 1.00 50.77 O +ATOM 1353 N GLY A 202 -0.106 -28.984 -25.603 1.00 54.25 N +ATOM 1354 CA GLY A 202 0.551 -27.834 -25.000 1.00 55.71 C +ATOM 1355 C GLY A 202 -0.317 -27.205 -23.906 1.00 55.59 C +ATOM 1356 O GLY A 202 -1.542 -27.181 -23.988 1.00 53.68 O +ATOM 1357 N LEU A 203 0.333 -26.703 -22.865 1.00 50.63 N +ATOM 1358 CA LEU A 203 -0.403 -25.993 -21.823 1.00 55.99 C +ATOM 1359 C LEU A 203 -0.981 -24.690 -22.395 1.00 54.53 C +ATOM 1360 O LEU A 203 -0.249 -23.971 -23.085 1.00 54.74 O +ATOM 1361 CB LEU A 203 0.507 -25.710 -20.613 1.00 55.40 C +ATOM 1362 CG LEU A 203 0.963 -26.965 -19.850 1.00 51.85 C +ATOM 1363 CD1 LEU A 203 1.968 -26.570 -18.772 1.00 50.04 C +ATOM 1364 CD2 LEU A 203 -0.205 -27.687 -19.172 1.00 48.99 C +ATOM 1365 N PRO A 204 -2.238 -24.333 -22.058 1.00 56.10 N +ATOM 1366 CA PRO A 204 -2.806 -23.051 -22.450 1.00 59.83 C +ATOM 1367 C PRO A 204 -1.923 -21.878 -22.009 1.00 57.37 C +ATOM 1368 O PRO A 204 -1.319 -21.901 -20.931 1.00 56.93 O +ATOM 1369 CB PRO A 204 -4.196 -22.980 -21.791 1.00 59.80 C +ATOM 1370 CG PRO A 204 -4.580 -24.445 -21.615 1.00 55.84 C +ATOM 1371 CD PRO A 204 -3.246 -25.131 -21.351 1.00 55.43 C +ATOM 1372 N GLY A 205 -1.850 -20.854 -22.849 1.00 53.31 N +ATOM 1373 CA GLY A 205 -1.201 -19.598 -22.495 1.00 55.70 C +ATOM 1374 C GLY A 205 -1.859 -18.960 -21.272 1.00 55.69 C +ATOM 1375 O GLY A 205 -3.051 -19.125 -21.029 1.00 54.38 O +ATOM 1376 N LYS A 206 -1.072 -18.251 -20.477 1.00 55.59 N +ATOM 1377 CA LYS A 206 -1.632 -17.498 -19.355 1.00 62.11 C +ATOM 1378 C LYS A 206 -2.368 -16.273 -19.882 1.00 60.69 C +ATOM 1379 O LYS A 206 -1.829 -15.588 -20.754 1.00 59.93 O +ATOM 1380 CB LYS A 206 -0.542 -17.076 -18.361 1.00 60.62 C +ATOM 1381 CG LYS A 206 0.090 -18.287 -17.670 1.00 57.09 C +ATOM 1382 CD LYS A 206 1.090 -17.835 -16.599 1.00 54.19 C +ATOM 1383 CE LYS A 206 1.688 -19.077 -15.934 1.00 51.74 C +ATOM 1384 NZ LYS A 206 2.572 -18.711 -14.816 1.00 45.97 N +ATOM 1385 N ASP A 207 -3.516 -15.967 -19.280 1.00 57.61 N +ATOM 1386 CA ASP A 207 -4.256 -14.747 -19.586 1.00 62.19 C +ATOM 1387 C ASP A 207 -3.361 -13.507 -19.450 1.00 59.41 C +ATOM 1388 O ASP A 207 -2.469 -13.440 -18.593 1.00 56.79 O +ATOM 1389 CB ASP A 207 -5.503 -14.628 -18.690 1.00 60.50 C +ATOM 1390 CG ASP A 207 -6.489 -15.786 -18.872 1.00 57.06 C +ATOM 1391 OD1 ASP A 207 -6.518 -16.350 -19.991 1.00 54.20 O +ATOM 1392 OD2 ASP A 207 -7.156 -16.130 -17.881 1.00 52.26 O +ATOM 1393 N GLY A 208 -3.578 -12.543 -20.343 1.00 56.92 N +ATOM 1394 CA GLY A 208 -2.916 -11.243 -20.277 1.00 57.98 C +ATOM 1395 C GLY A 208 -3.233 -10.533 -18.965 1.00 58.33 C +ATOM 1396 O GLY A 208 -4.311 -10.692 -18.400 1.00 56.37 O +ATOM 1397 N LYS A 209 -2.276 -9.762 -18.459 1.00 54.55 N +ATOM 1398 CA LYS A 209 -2.546 -8.932 -17.281 1.00 60.02 C +ATOM 1399 C LYS A 209 -3.417 -7.751 -17.688 1.00 58.67 C +ATOM 1400 O LYS A 209 -3.137 -7.129 -18.716 1.00 57.89 O +ATOM 1401 CB LYS A 209 -1.248 -8.439 -16.641 1.00 58.48 C +ATOM 1402 CG LYS A 209 -0.431 -9.583 -16.043 1.00 54.73 C +ATOM 1403 CD LYS A 209 0.797 -9.016 -15.337 1.00 52.39 C +ATOM 1404 CE LYS A 209 1.611 -10.152 -14.727 1.00 49.68 C +ATOM 1405 NZ LYS A 209 2.777 -9.614 -13.983 1.00 44.73 N +ATOM 1406 N ASP A 210 -4.387 -7.400 -16.833 1.00 55.42 N +ATOM 1407 CA ASP A 210 -5.193 -6.199 -17.012 1.00 59.76 C +ATOM 1408 C ASP A 210 -4.303 -4.961 -17.189 1.00 57.32 C +ATOM 1409 O ASP A 210 -3.243 -4.829 -16.560 1.00 55.06 O +ATOM 1410 CB ASP A 210 -6.152 -6.003 -15.824 1.00 58.81 C +ATOM 1411 CG ASP A 210 -7.149 -7.153 -15.652 1.00 55.79 C +ATOM 1412 OD1 ASP A 210 -7.495 -7.780 -16.677 1.00 52.93 O +ATOM 1413 OD2 ASP A 210 -7.504 -7.415 -14.487 1.00 51.40 O +ATOM 1414 N GLY A 211 -4.740 -4.050 -18.072 1.00 57.27 N +ATOM 1415 CA GLY A 211 -4.075 -2.767 -18.286 1.00 58.51 C +ATOM 1416 C GLY A 211 -4.006 -1.958 -16.986 1.00 58.94 C +ATOM 1417 O GLY A 211 -4.909 -1.996 -16.156 1.00 56.85 O +ATOM 1418 N GLN A 212 -2.907 -1.220 -16.797 1.00 50.11 N +ATOM 1419 CA GLN A 212 -2.818 -0.302 -15.667 1.00 55.22 C +ATOM 1420 C GLN A 212 -3.703 0.920 -15.936 1.00 54.70 C +ATOM 1421 O GLN A 212 -3.615 1.502 -17.015 1.00 53.43 O +ATOM 1422 CB GLN A 212 -1.364 0.123 -15.398 1.00 54.54 C +ATOM 1423 CG GLN A 212 -0.515 -1.060 -14.918 1.00 52.19 C +ATOM 1424 CD GLN A 212 0.923 -0.687 -14.548 1.00 48.05 C +ATOM 1425 OE1 GLN A 212 1.432 0.399 -14.767 1.00 47.34 O +ATOM 1426 NE2 GLN A 212 1.656 -1.607 -13.962 1.00 44.07 N +ATOM 1427 N ASN A 213 -4.502 1.331 -14.943 1.00 57.15 N +ATOM 1428 CA ASN A 213 -5.276 2.570 -15.038 1.00 61.29 C +ATOM 1429 C ASN A 213 -4.350 3.754 -15.352 1.00 58.74 C +ATOM 1430 O ASN A 213 -3.231 3.836 -14.842 1.00 56.57 O +ATOM 1431 CB ASN A 213 -6.053 2.804 -13.728 1.00 59.62 C +ATOM 1432 CG ASN A 213 -7.144 1.782 -13.476 1.00 55.86 C +ATOM 1433 OD1 ASN A 213 -7.615 1.089 -14.355 1.00 54.06 O +ATOM 1434 ND2 ASN A 213 -7.596 1.646 -12.254 1.00 51.78 N +ATOM 1435 N GLY A 214 -4.840 4.675 -16.185 1.00 57.00 N +ATOM 1436 CA GLY A 214 -4.153 5.929 -16.477 1.00 58.32 C +ATOM 1437 C GLY A 214 -3.853 6.705 -15.193 1.00 58.48 C +ATOM 1438 O GLY A 214 -4.596 6.638 -14.219 1.00 56.13 O +ATOM 1439 N LYS A 215 -2.713 7.429 -15.177 1.00 51.79 N +ATOM 1440 CA LYS A 215 -2.388 8.295 -14.039 1.00 57.92 C +ATOM 1441 C LYS A 215 -3.270 9.539 -14.093 1.00 56.97 C +ATOM 1442 O LYS A 215 -3.365 10.164 -15.144 1.00 56.15 O +ATOM 1443 CB LYS A 215 -0.912 8.690 -14.036 1.00 57.31 C +ATOM 1444 CG LYS A 215 -0.001 7.483 -13.783 1.00 54.34 C +ATOM 1445 CD LYS A 215 1.461 7.928 -13.715 1.00 52.84 C +ATOM 1446 CE LYS A 215 2.354 6.713 -13.476 1.00 49.82 C +ATOM 1447 NZ LYS A 215 3.768 7.105 -13.409 1.00 44.60 N +ATOM 1448 N ASP A 216 -3.836 9.931 -12.955 1.00 54.94 N +ATOM 1449 CA ASP A 216 -4.552 11.193 -12.822 1.00 57.76 C +ATOM 1450 C ASP A 216 -3.653 12.356 -13.257 1.00 55.31 C +ATOM 1451 O ASP A 216 -2.449 12.393 -12.978 1.00 53.32 O +ATOM 1452 CB ASP A 216 -5.036 11.400 -11.378 1.00 57.10 C +ATOM 1453 CG ASP A 216 -6.037 10.337 -10.895 1.00 54.99 C +ATOM 1454 OD1 ASP A 216 -6.773 9.807 -11.749 1.00 52.76 O +ATOM 1455 OD2 ASP A 216 -6.029 10.066 -9.677 1.00 51.66 O +ATOM 1456 N GLY A 217 -4.250 13.318 -13.961 1.00 53.69 N +ATOM 1457 CA GLY A 217 -3.553 14.533 -14.378 1.00 54.82 C +ATOM 1458 C GLY A 217 -3.016 15.309 -13.172 1.00 54.39 C +ATOM 1459 O GLY A 217 -3.649 15.391 -12.125 1.00 51.92 O +ATOM 1460 N LEU A 218 -1.813 15.904 -13.320 1.00 43.83 N +ATOM 1461 CA LEU A 218 -1.244 16.750 -12.272 1.00 49.86 C +ATOM 1462 C LEU A 218 -2.117 18.003 -12.081 1.00 49.03 C +ATOM 1463 O LEU A 218 -2.439 18.667 -13.064 1.00 49.22 O +ATOM 1464 CB LEU A 218 0.205 17.144 -12.621 1.00 50.16 C +ATOM 1465 CG LEU A 218 1.211 15.987 -12.572 1.00 47.03 C +ATOM 1466 CD1 LEU A 218 2.565 16.447 -13.133 1.00 45.84 C +ATOM 1467 CD2 LEU A 218 1.452 15.478 -11.143 1.00 45.06 C +ATOM 1468 N PRO A 219 -2.472 18.389 -10.836 1.00 48.54 N +ATOM 1469 CA PRO A 219 -3.198 19.634 -10.590 1.00 51.60 C +ATOM 1470 C PRO A 219 -2.331 20.841 -10.980 1.00 48.99 C +ATOM 1471 O PRO A 219 -1.286 21.070 -10.371 1.00 49.48 O +ATOM 1472 CB PRO A 219 -3.570 19.633 -9.105 1.00 52.74 C +ATOM 1473 CG PRO A 219 -3.375 18.188 -8.654 1.00 50.96 C +ATOM 1474 CD PRO A 219 -2.280 17.671 -9.586 1.00 53.37 C +ATOM 1475 N GLY A 220 -2.803 21.618 -11.937 1.00 46.63 N +ATOM 1476 CA GLY A 220 -2.268 22.961 -12.214 1.00 50.42 C +ATOM 1477 C GLY A 220 -1.788 23.161 -13.654 1.00 49.76 C +ATOM 1478 O GLY A 220 -0.747 22.649 -14.046 1.00 48.61 O +ATOM 1479 N LYS A 221 -2.488 24.056 -14.360 1.00 43.35 N +ATOM 1480 CA LYS A 221 -2.413 24.484 -15.772 1.00 49.61 C +ATOM 1481 C LYS A 221 -3.177 23.558 -16.717 1.00 48.58 C +ATOM 1482 O LYS A 221 -2.858 22.386 -16.811 1.00 48.09 O +ATOM 1483 CB LYS A 221 -0.978 24.749 -16.266 1.00 49.96 C +ATOM 1484 CG LYS A 221 -0.248 25.779 -15.400 1.00 47.16 C +ATOM 1485 CD LYS A 221 1.162 26.040 -15.924 1.00 45.89 C +ATOM 1486 CE LYS A 221 1.858 27.057 -15.015 1.00 42.50 C +ATOM 1487 NZ LYS A 221 3.241 27.337 -15.470 1.00 38.79 N +ATOM 1488 N ASP A 222 -4.182 24.171 -17.369 1.00 50.42 N +ATOM 1489 CA ASP A 222 -5.142 23.633 -18.332 1.00 54.79 C +ATOM 1490 C ASP A 222 -4.917 22.161 -18.693 1.00 52.70 C +ATOM 1491 O ASP A 222 -3.973 21.806 -19.398 1.00 51.10 O +ATOM 1492 CB ASP A 222 -5.184 24.534 -19.579 1.00 53.86 C +ATOM 1493 CG ASP A 222 -5.558 25.977 -19.222 1.00 50.22 C +ATOM 1494 OD1 ASP A 222 -6.314 26.155 -18.247 1.00 47.83 O +ATOM 1495 OD2 ASP A 222 -5.004 26.893 -19.866 1.00 46.71 O +ATOM 1496 N GLY A 223 -5.784 21.336 -18.123 1.00 48.24 N +ATOM 1497 CA GLY A 223 -5.617 19.901 -18.041 1.00 50.78 C +ATOM 1498 C GLY A 223 -5.387 19.272 -19.415 1.00 50.23 C +ATOM 1499 O GLY A 223 -6.237 19.331 -20.288 1.00 48.43 O +ATOM 1500 N LYS A 224 -4.225 18.651 -19.562 1.00 51.06 N +ATOM 1501 CA LYS A 224 -4.119 17.561 -20.521 1.00 55.53 C +ATOM 1502 C LYS A 224 -4.723 16.338 -19.848 1.00 55.28 C +ATOM 1503 O LYS A 224 -4.311 16.016 -18.736 1.00 53.51 O +ATOM 1504 CB LYS A 224 -2.671 17.324 -20.948 1.00 53.58 C +ATOM 1505 CG LYS A 224 -2.145 18.494 -21.789 1.00 49.37 C +ATOM 1506 CD LYS A 224 -0.750 18.193 -22.322 1.00 47.65 C +ATOM 1507 CE LYS A 224 -0.269 19.373 -23.174 1.00 43.67 C +ATOM 1508 NZ LYS A 224 1.057 19.095 -23.775 1.00 40.01 N +ATOM 1509 N ASP A 225 -5.676 15.723 -20.541 1.00 52.53 N +ATOM 1510 CA ASP A 225 -6.249 14.466 -20.101 1.00 56.69 C +ATOM 1511 C ASP A 225 -5.128 13.480 -19.735 1.00 55.82 C +ATOM 1512 O ASP A 225 -4.060 13.454 -20.362 1.00 53.94 O +ATOM 1513 CB ASP A 225 -7.180 13.902 -21.187 1.00 55.19 C +ATOM 1514 CG ASP A 225 -8.364 14.826 -21.482 1.00 51.68 C +ATOM 1515 OD1 ASP A 225 -8.852 15.465 -20.522 1.00 49.62 O +ATOM 1516 OD2 ASP A 225 -8.720 14.948 -22.675 1.00 48.37 O +ATOM 1517 N GLY A 226 -5.339 12.734 -18.663 1.00 52.59 N +ATOM 1518 CA GLY A 226 -4.405 11.692 -18.263 1.00 54.63 C +ATOM 1519 C GLY A 226 -4.183 10.724 -19.427 1.00 54.43 C +ATOM 1520 O GLY A 226 -5.107 10.422 -20.170 1.00 52.63 O +ATOM 1521 N GLN A 227 -2.947 10.284 -19.606 1.00 51.24 N +ATOM 1522 CA GLN A 227 -2.678 9.295 -20.647 1.00 56.22 C +ATOM 1523 C GLN A 227 -3.445 8.016 -20.320 1.00 56.14 C +ATOM 1524 O GLN A 227 -3.357 7.526 -19.185 1.00 54.76 O +ATOM 1525 CB GLN A 227 -1.180 9.003 -20.782 1.00 55.43 C +ATOM 1526 CG GLN A 227 -0.419 10.197 -21.380 1.00 52.25 C +ATOM 1527 CD GLN A 227 1.076 9.937 -21.579 1.00 49.08 C +ATOM 1528 OE1 GLN A 227 1.672 8.955 -21.169 1.00 47.50 O +ATOM 1529 NE2 GLN A 227 1.767 10.843 -22.224 1.00 44.55 N +ATOM 1530 N ASP A 228 -4.142 7.491 -21.324 1.00 59.29 N +ATOM 1531 CA ASP A 228 -4.826 6.209 -21.202 1.00 64.55 C +ATOM 1532 C ASP A 228 -3.869 5.136 -20.669 1.00 63.61 C +ATOM 1533 O ASP A 228 -2.670 5.116 -20.970 1.00 60.01 O +ATOM 1534 CB ASP A 228 -5.433 5.778 -22.546 1.00 62.15 C +ATOM 1535 CG ASP A 228 -6.556 6.703 -23.026 1.00 57.73 C +ATOM 1536 OD1 ASP A 228 -7.247 7.270 -22.149 1.00 55.01 O +ATOM 1537 OD2 ASP A 228 -6.692 6.839 -24.255 1.00 53.43 O +ATOM 1538 N GLY A 229 -4.399 4.267 -19.818 1.00 62.20 N +ATOM 1539 CA GLY A 229 -3.650 3.127 -19.321 1.00 64.15 C +ATOM 1540 C GLY A 229 -3.159 2.267 -20.491 1.00 63.50 C +ATOM 1541 O GLY A 229 -3.852 2.104 -21.486 1.00 61.29 O +ATOM 1542 N LYS A 230 -1.950 1.749 -20.369 1.00 59.36 N +ATOM 1543 CA LYS A 230 -1.449 0.844 -21.406 1.00 66.40 C +ATOM 1544 C LYS A 230 -2.259 -0.447 -21.383 1.00 65.85 C +ATOM 1545 O LYS A 230 -2.459 -1.015 -20.312 1.00 64.84 O +ATOM 1546 CB LYS A 230 0.043 0.541 -21.223 1.00 64.42 C +ATOM 1547 CG LYS A 230 0.910 1.782 -21.453 1.00 59.87 C +ATOM 1548 CD LYS A 230 2.384 1.414 -21.382 1.00 57.96 C +ATOM 1549 CE LYS A 230 3.228 2.670 -21.618 1.00 53.81 C +ATOM 1550 NZ LYS A 230 4.672 2.349 -21.642 1.00 47.66 N +ATOM 1551 N ASP A 231 -2.625 -0.909 -22.562 1.00 65.33 N +ATOM 1552 CA ASP A 231 -3.277 -2.203 -22.722 1.00 69.79 C +ATOM 1553 C ASP A 231 -2.482 -3.312 -22.022 1.00 68.20 C +ATOM 1554 O ASP A 231 -1.245 -3.305 -21.975 1.00 62.82 O +ATOM 1555 CB ASP A 231 -3.455 -2.540 -24.208 1.00 66.73 C +ATOM 1556 CG ASP A 231 -4.373 -1.569 -24.944 1.00 63.11 C +ATOM 1557 OD1 ASP A 231 -5.265 -0.993 -24.275 1.00 59.53 O +ATOM 1558 OD2 ASP A 231 -4.154 -1.394 -26.163 1.00 57.38 O +ATOM 1559 N GLY A 232 -3.216 -4.259 -21.455 1.00 68.16 N +ATOM 1560 CA GLY A 232 -2.618 -5.451 -20.877 1.00 68.72 C +ATOM 1561 C GLY A 232 -1.779 -6.203 -21.911 1.00 68.49 C +ATOM 1562 O GLY A 232 -2.122 -6.275 -23.085 1.00 65.41 O +ATOM 1563 N LEU A 233 -0.652 -6.743 -21.468 1.00 60.92 N +ATOM 1564 CA LEU A 233 0.167 -7.545 -22.372 1.00 66.18 C +ATOM 1565 C LEU A 233 -0.614 -8.812 -22.763 1.00 65.50 C +ATOM 1566 O LEU A 233 -1.161 -9.463 -21.872 1.00 64.63 O +ATOM 1567 CB LEU A 233 1.513 -7.904 -21.727 1.00 64.55 C +ATOM 1568 CG LEU A 233 2.450 -6.705 -21.495 1.00 59.97 C +ATOM 1569 CD1 LEU A 233 3.693 -7.163 -20.718 1.00 57.06 C +ATOM 1570 CD2 LEU A 233 2.923 -6.079 -22.807 1.00 55.77 C +ATOM 1571 N PRO A 234 -0.604 -9.195 -24.043 1.00 66.40 N +ATOM 1572 CA PRO A 234 -1.197 -10.454 -24.479 1.00 71.13 C +ATOM 1573 C PRO A 234 -0.663 -11.635 -23.659 1.00 69.88 C +ATOM 1574 O PRO A 234 0.510 -11.663 -23.272 1.00 67.04 O +ATOM 1575 CB PRO A 234 -0.853 -10.597 -25.963 1.00 69.90 C +ATOM 1576 CG PRO A 234 -0.668 -9.153 -26.426 1.00 64.62 C +ATOM 1577 CD PRO A 234 -0.080 -8.463 -25.203 1.00 65.74 C +ATOM 1578 N GLY A 235 -1.533 -12.587 -23.395 1.00 70.91 N +ATOM 1579 CA GLY A 235 -1.122 -13.846 -22.791 1.00 72.03 C +ATOM 1580 C GLY A 235 -0.013 -14.501 -23.618 1.00 71.16 C +ATOM 1581 O GLY A 235 0.022 -14.376 -24.841 1.00 68.83 O +ATOM 1582 N LYS A 236 0.923 -15.173 -22.946 1.00 66.36 N +ATOM 1583 CA LYS A 236 1.980 -15.890 -23.661 1.00 72.14 C +ATOM 1584 C LYS A 236 1.380 -17.099 -24.366 1.00 71.45 C +ATOM 1585 O LYS A 236 0.597 -17.816 -23.743 1.00 70.08 O +ATOM 1586 CB LYS A 236 3.107 -16.333 -22.718 1.00 69.48 C +ATOM 1587 CG LYS A 236 3.863 -15.142 -22.140 1.00 64.55 C +ATOM 1588 CD LYS A 236 5.068 -15.621 -21.327 1.00 61.41 C +ATOM 1589 CE LYS A 236 5.829 -14.405 -20.793 1.00 57.43 C +ATOM 1590 NZ LYS A 236 7.085 -14.810 -20.140 1.00 50.58 N +ATOM 1591 N ASP A 237 1.828 -17.335 -25.573 1.00 67.21 N +ATOM 1592 CA ASP A 237 1.446 -18.534 -26.303 1.00 71.78 C +ATOM 1593 C ASP A 237 1.710 -19.791 -25.462 1.00 70.34 C +ATOM 1594 O ASP A 237 2.673 -19.868 -24.686 1.00 64.89 O +ATOM 1595 CB ASP A 237 2.178 -18.600 -27.659 1.00 68.48 C +ATOM 1596 CG ASP A 237 1.843 -17.414 -28.570 1.00 63.92 C +ATOM 1597 OD1 ASP A 237 0.720 -16.872 -28.437 1.00 59.68 O +ATOM 1598 OD2 ASP A 237 2.737 -17.021 -29.342 1.00 57.96 O +ATOM 1599 N GLY A 238 0.809 -20.754 -25.584 1.00 72.22 N +ATOM 1600 CA GLY A 238 0.984 -22.056 -24.963 1.00 73.09 C +ATOM 1601 C GLY A 238 2.278 -22.723 -25.450 1.00 72.13 C +ATOM 1602 O GLY A 238 2.684 -22.539 -26.596 1.00 69.27 O +ATOM 1603 N LYS A 239 2.934 -23.472 -24.574 1.00 66.17 N +ATOM 1604 CA LYS A 239 4.117 -24.230 -24.997 1.00 71.21 C +ATOM 1605 C LYS A 239 3.681 -25.408 -25.860 1.00 70.59 C +ATOM 1606 O LYS A 239 2.728 -26.099 -25.496 1.00 68.98 O +ATOM 1607 CB LYS A 239 4.930 -24.725 -23.799 1.00 68.47 C +ATOM 1608 CG LYS A 239 5.571 -23.580 -23.018 1.00 63.16 C +ATOM 1609 CD LYS A 239 6.462 -24.144 -21.910 1.00 60.15 C +ATOM 1610 CE LYS A 239 7.132 -23.010 -21.142 1.00 55.99 C +ATOM 1611 NZ LYS A 239 8.080 -23.549 -20.143 1.00 49.57 N +ATOM 1612 N ASP A 240 4.440 -25.659 -26.908 1.00 66.01 N +ATOM 1613 CA ASP A 240 4.237 -26.839 -27.731 1.00 70.68 C +ATOM 1614 C ASP A 240 4.209 -28.115 -26.879 1.00 69.12 C +ATOM 1615 O ASP A 240 4.924 -28.242 -25.874 1.00 63.59 O +ATOM 1616 CB ASP A 240 5.326 -26.943 -28.806 1.00 67.65 C +ATOM 1617 CG ASP A 240 5.329 -25.760 -29.782 1.00 63.82 C +ATOM 1618 OD1 ASP A 240 4.247 -25.158 -29.976 1.00 59.98 O +ATOM 1619 OD2 ASP A 240 6.427 -25.447 -30.296 1.00 57.57 O +ATOM 1620 N GLY A 241 3.353 -29.039 -27.275 1.00 71.57 N +ATOM 1621 CA GLY A 241 3.285 -30.350 -26.643 1.00 73.14 C +ATOM 1622 C GLY A 241 4.631 -31.077 -26.713 1.00 73.06 C +ATOM 1623 O GLY A 241 5.376 -30.946 -27.681 1.00 69.08 O +ATOM 1624 N LEU A 242 4.946 -31.834 -25.670 1.00 62.54 N +ATOM 1625 CA LEU A 242 6.165 -32.631 -25.687 1.00 68.55 C +ATOM 1626 C LEU A 242 6.038 -33.747 -26.739 1.00 67.44 C +ATOM 1627 O LEU A 242 4.996 -34.409 -26.775 1.00 66.65 O +ATOM 1628 CB LEU A 242 6.464 -33.218 -24.297 1.00 67.40 C +ATOM 1629 CG LEU A 242 6.818 -32.185 -23.224 1.00 62.52 C +ATOM 1630 CD1 LEU A 242 6.940 -32.869 -21.866 1.00 58.99 C +ATOM 1631 CD2 LEU A 242 8.150 -31.478 -23.510 1.00 58.52 C +ATOM 1632 N PRO A 243 7.080 -33.993 -27.527 1.00 65.11 N +ATOM 1633 CA PRO A 243 7.092 -35.114 -28.459 1.00 69.52 C +ATOM 1634 C PRO A 243 6.761 -36.434 -27.754 1.00 67.25 C +ATOM 1635 O PRO A 243 7.165 -36.670 -26.606 1.00 64.46 O +ATOM 1636 CB PRO A 243 8.490 -35.141 -29.090 1.00 68.99 C +ATOM 1637 CG PRO A 243 8.959 -33.694 -28.967 1.00 65.05 C +ATOM 1638 CD PRO A 243 8.332 -33.218 -27.661 1.00 66.64 C +ATOM 1639 N GLY A 244 6.026 -37.284 -28.437 1.00 72.23 N +ATOM 1640 CA GLY A 244 5.791 -38.642 -27.963 1.00 74.92 C +ATOM 1641 C GLY A 244 7.108 -39.404 -27.782 1.00 74.05 C +ATOM 1642 O GLY A 244 8.080 -39.158 -28.500 1.00 70.66 O +ATOM 1643 N LYS A 245 7.148 -40.307 -26.803 1.00 68.26 N +ATOM 1644 CA LYS A 245 8.337 -41.156 -26.616 1.00 73.63 C +ATOM 1645 C LYS A 245 8.362 -42.235 -27.690 1.00 72.47 C +ATOM 1646 O LYS A 245 7.324 -42.848 -27.948 1.00 70.62 O +ATOM 1647 CB LYS A 245 8.357 -41.793 -25.218 1.00 70.56 C +ATOM 1648 CG LYS A 245 8.558 -40.753 -24.118 1.00 65.33 C +ATOM 1649 CD LYS A 245 8.644 -41.426 -22.745 1.00 61.78 C +ATOM 1650 CE LYS A 245 8.829 -40.363 -21.651 1.00 58.34 C +ATOM 1651 NZ LYS A 245 8.904 -40.974 -20.309 1.00 51.51 N +ATOM 1652 N ASP A 246 9.553 -42.484 -28.204 1.00 68.14 N +ATOM 1653 CA ASP A 246 9.769 -43.585 -29.140 1.00 71.85 C +ATOM 1654 C ASP A 246 9.293 -44.916 -28.546 1.00 68.84 C +ATOM 1655 O ASP A 246 9.384 -45.166 -27.336 1.00 63.17 O +ATOM 1656 CB ASP A 246 11.255 -43.665 -29.550 1.00 68.71 C +ATOM 1657 CG ASP A 246 11.759 -42.405 -30.261 1.00 63.94 C +ATOM 1658 OD1 ASP A 246 10.928 -41.728 -30.905 1.00 60.00 O +ATOM 1659 OD2 ASP A 246 12.955 -42.100 -30.105 1.00 57.79 O +ATOM 1660 N GLY A 247 8.753 -45.761 -29.410 1.00 77.52 N +ATOM 1661 CA GLY A 247 8.379 -47.122 -29.030 1.00 77.99 C +ATOM 1662 C GLY A 247 9.596 -47.901 -28.519 1.00 77.40 C +ATOM 1663 O GLY A 247 10.720 -47.692 -28.963 1.00 74.06 O +ATOM 1664 N LYS A 248 9.369 -48.796 -27.562 1.00 71.07 N +ATOM 1665 CA LYS A 248 10.456 -49.665 -27.090 1.00 75.23 C +ATOM 1666 C LYS A 248 10.747 -50.722 -28.154 1.00 74.05 C +ATOM 1667 O LYS A 248 9.821 -51.359 -28.645 1.00 71.98 O +ATOM 1668 CB LYS A 248 10.103 -50.341 -25.756 1.00 71.53 C +ATOM 1669 CG LYS A 248 10.022 -49.340 -24.597 1.00 65.66 C +ATOM 1670 CD LYS A 248 9.758 -50.078 -23.280 1.00 62.48 C +ATOM 1671 CE LYS A 248 9.677 -49.084 -22.120 1.00 58.83 C +ATOM 1672 NZ LYS A 248 9.457 -49.774 -20.825 1.00 52.69 N +ATOM 1673 N ASP A 249 12.038 -50.935 -28.395 1.00 70.32 N +ATOM 1674 CA ASP A 249 12.478 -52.014 -29.275 1.00 73.86 C +ATOM 1675 C ASP A 249 11.896 -53.359 -28.831 1.00 71.30 C +ATOM 1676 O ASP A 249 11.797 -53.670 -27.636 1.00 65.65 O +ATOM 1677 CB ASP A 249 14.017 -52.085 -29.315 1.00 70.49 C +ATOM 1678 CG ASP A 249 14.681 -50.841 -29.900 1.00 65.13 C +ATOM 1679 OD1 ASP A 249 14.037 -50.196 -30.761 1.00 61.03 O +ATOM 1680 OD2 ASP A 249 15.806 -50.550 -29.472 1.00 58.72 O +ATOM 1681 N GLY A 250 11.511 -54.171 -29.811 1.00 75.99 N +ATOM 1682 CA GLY A 250 11.050 -55.528 -29.558 1.00 76.41 C +ATOM 1683 C GLY A 250 12.138 -56.366 -28.868 1.00 75.83 C +ATOM 1684 O GLY A 250 13.317 -56.267 -29.189 1.00 72.19 O +ATOM 1685 N GLN A 251 11.739 -57.195 -27.904 1.00 68.92 N +ATOM 1686 CA GLN A 251 12.705 -58.094 -27.257 1.00 72.91 C +ATOM 1687 C GLN A 251 13.153 -59.180 -28.245 1.00 71.30 C +ATOM 1688 O GLN A 251 12.299 -59.780 -28.896 1.00 69.71 O +ATOM 1689 CB GLN A 251 12.130 -58.726 -25.983 1.00 70.51 C +ATOM 1690 CG GLN A 251 11.980 -57.695 -24.847 1.00 65.48 C +ATOM 1691 CD GLN A 251 11.543 -58.311 -23.518 1.00 60.25 C +ATOM 1692 OE1 GLN A 251 11.253 -59.490 -23.375 1.00 59.14 O +ATOM 1693 NE2 GLN A 251 11.483 -57.525 -22.468 1.00 54.68 N +ATOM 1694 N PRO A 252 14.456 -59.469 -28.286 1.00 66.03 N +ATOM 1695 CA PRO A 252 14.947 -60.571 -29.104 1.00 69.46 C +ATOM 1696 C PRO A 252 14.273 -61.898 -28.712 1.00 66.12 C +ATOM 1697 O PRO A 252 14.112 -62.201 -27.530 1.00 62.95 O +ATOM 1698 CB PRO A 252 16.464 -60.630 -28.895 1.00 68.74 C +ATOM 1699 CG PRO A 252 16.815 -59.207 -28.447 1.00 63.81 C +ATOM 1700 CD PRO A 252 15.587 -58.758 -27.667 1.00 65.05 C +ATOM 1701 N GLY A 253 13.915 -62.671 -29.714 1.00 73.03 N +ATOM 1702 CA GLY A 253 13.386 -64.017 -29.479 1.00 74.31 C +ATOM 1703 C GLY A 253 14.375 -64.878 -28.687 1.00 73.45 C +ATOM 1704 O GLY A 253 15.591 -64.781 -28.868 1.00 70.38 O +ATOM 1705 N LYS A 254 13.867 -65.726 -27.796 1.00 67.09 N +ATOM 1706 CA LYS A 254 14.727 -66.662 -27.052 1.00 75.11 C +ATOM 1707 C LYS A 254 15.274 -67.723 -28.002 1.00 72.50 C +ATOM 1708 O LYS A 254 14.498 -68.256 -28.792 1.00 72.03 O +ATOM 1709 CB LYS A 254 13.973 -67.323 -25.887 1.00 71.76 C +ATOM 1710 CG LYS A 254 13.665 -66.318 -24.762 1.00 65.87 C +ATOM 1711 CD LYS A 254 12.973 -67.017 -23.583 1.00 62.66 C +ATOM 1712 CE LYS A 254 12.648 -65.998 -22.489 1.00 58.85 C +ATOM 1713 NZ LYS A 254 11.927 -66.615 -21.351 1.00 52.11 N +ATOM 1714 N PRO A 255 16.571 -68.071 -27.901 1.00 64.26 N +ATOM 1715 CA PRO A 255 17.128 -69.156 -28.701 1.00 68.87 C +ATOM 1716 C PRO A 255 16.361 -70.458 -28.454 1.00 64.13 C +ATOM 1717 O PRO A 255 16.078 -70.805 -27.302 1.00 60.61 O +ATOM 1718 CB PRO A 255 18.598 -69.279 -28.281 1.00 68.92 C +ATOM 1719 CG PRO A 255 18.929 -67.921 -27.673 1.00 65.03 C +ATOM 1720 CD PRO A 255 17.610 -67.462 -27.067 1.00 66.68 C +ATOM 1721 N GLY A 256 16.055 -71.136 -29.508 1.00 66.82 N +ATOM 1722 CA GLY A 256 15.494 -72.476 -29.399 1.00 68.40 C +ATOM 1723 C GLY A 256 16.451 -73.395 -28.636 1.00 63.68 C +ATOM 1724 O GLY A 256 17.663 -73.343 -28.837 1.00 60.04 O +ATOM 1725 N LYS A 257 15.910 -74.201 -27.723 1.00 63.58 N +ATOM 1726 CA LYS A 257 16.689 -75.268 -27.084 1.00 70.46 C +ATOM 1727 C LYS A 257 16.686 -76.459 -28.022 1.00 63.13 C +ATOM 1728 O LYS A 257 15.607 -76.897 -28.399 1.00 59.97 O +ATOM 1729 CB LYS A 257 16.125 -75.638 -25.709 1.00 68.20 C +ATOM 1730 CG LYS A 257 16.358 -74.553 -24.665 1.00 61.10 C +ATOM 1731 CD LYS A 257 15.920 -75.051 -23.278 1.00 58.14 C +ATOM 1732 CE LYS A 257 16.225 -73.998 -22.199 1.00 55.37 C +ATOM 1733 NZ LYS A 257 15.915 -74.521 -20.856 1.00 48.89 N +ATOM 1734 N TYR A 258 17.882 -76.906 -28.390 1.00 68.45 N +ATOM 1735 CA TYR A 258 18.092 -78.172 -29.077 1.00 69.83 C +ATOM 1736 C TYR A 258 17.825 -79.341 -28.132 1.00 58.73 C +ATOM 1737 O TYR A 258 18.106 -79.190 -26.922 1.00 51.83 O +ATOM 1738 CB TYR A 258 19.520 -78.237 -29.632 1.00 62.79 C +ATOM 1739 CG TYR A 258 19.762 -77.350 -30.841 1.00 55.48 C +ATOM 1740 CD1 TYR A 258 19.434 -77.820 -32.127 1.00 50.65 C +ATOM 1741 CD2 TYR A 258 20.321 -76.065 -30.687 1.00 49.24 C +ATOM 1742 CE1 TYR A 258 19.660 -77.009 -33.248 1.00 45.22 C +ATOM 1743 CE2 TYR A 258 20.536 -75.247 -31.810 1.00 55.24 C +ATOM 1744 CZ TYR A 258 20.212 -75.732 -33.089 1.00 48.01 C +ATOM 1745 OH TYR A 258 20.422 -74.952 -34.180 1.00 49.93 O +ATOM 1746 OXT TYR A 258 17.346 -80.358 -28.682 1.00 47.76 O +TER 1747 TYR A 258 +END diff --git a/protein_pdb_47.txt b/protein_pdb_47.txt new file mode 100644 index 0000000000000000000000000000000000000000..8114ff974f3b0e4ca5e920a50b8d15876db45721 --- /dev/null +++ b/protein_pdb_47.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -27.576 -8.986 24.488 1.00 86.21 N +ATOM 2 CA GLY A 1 -26.245 -8.506 24.856 1.00 90.84 C +ATOM 3 C GLY A 1 -25.784 -7.386 23.952 1.00 91.73 C +ATOM 4 O GLY A 1 -26.440 -7.079 22.948 1.00 88.88 O +ATOM 5 N PRO A 2 -24.668 -6.769 24.263 1.00 87.71 N +ATOM 6 CA PRO A 2 -24.151 -5.672 23.436 1.00 91.99 C +ATOM 7 C PRO A 2 -23.647 -6.175 22.092 1.00 91.93 C +ATOM 8 O PRO A 2 -23.324 -7.346 21.938 1.00 90.33 O +ATOM 9 CB PRO A 2 -23.010 -5.099 24.277 1.00 89.28 C +ATOM 10 CG PRO A 2 -22.549 -6.266 25.083 1.00 84.74 C +ATOM 11 CD PRO A 2 -23.801 -7.037 25.406 1.00 87.04 C +HETATM 12 N HYP A 3 -23.627 -5.348 21.170 1.00 92.87 N +HETATM 13 CA HYP A 3 -23.044 -5.610 19.833 1.00 90.85 C +HETATM 14 C HYP A 3 -21.621 -6.089 19.945 1.00 88.35 C +HETATM 15 O HYP A 3 -20.895 -5.727 20.897 1.00 92.98 O +HETATM 16 CB HYP A 3 -23.153 -4.252 19.173 1.00 90.57 C +HETATM 17 CG HYP A 3 -24.271 -3.543 19.863 1.00 89.02 C +HETATM 18 CD HYP A 3 -24.110 -4.003 21.311 1.00 90.66 C +HETATM 19 OD1 HYP A 3 -25.527 -3.946 19.395 1.00 91.34 O +ATOM 20 N GLY A 4 -21.184 -6.908 19.009 1.00 95.10 N +ATOM 21 CA GLY A 4 -19.822 -7.382 18.984 1.00 94.85 C +ATOM 22 C GLY A 4 -18.856 -6.252 18.673 1.00 95.04 C +ATOM 23 O GLY A 4 -19.265 -5.153 18.286 1.00 94.09 O +ATOM 24 N PRO A 5 -17.561 -6.499 18.822 1.00 93.60 N +ATOM 25 CA PRO A 5 -16.557 -5.469 18.549 1.00 93.98 C +ATOM 26 C PRO A 5 -16.479 -5.144 17.062 1.00 93.71 C +ATOM 27 O PRO A 5 -16.818 -5.967 16.217 1.00 92.22 O +ATOM 28 CB PRO A 5 -15.257 -6.080 19.058 1.00 92.10 C +ATOM 29 CG PRO A 5 -15.490 -7.547 18.930 1.00 90.10 C +ATOM 30 CD PRO A 5 -16.948 -7.750 19.262 1.00 92.49 C +HETATM 31 N HYP A 6 -16.049 -3.961 16.745 1.00 94.29 N +HETATM 32 CA HYP A 6 -15.794 -3.580 15.337 1.00 95.15 C +HETATM 33 C HYP A 6 -14.791 -4.481 14.691 1.00 94.16 C +HETATM 34 O HYP A 6 -13.859 -5.000 15.355 1.00 93.93 O +HETATM 35 CB HYP A 6 -15.205 -2.151 15.511 1.00 91.75 C +HETATM 36 CG HYP A 6 -15.809 -1.642 16.773 1.00 89.51 C +HETATM 37 CD HYP A 6 -15.837 -2.874 17.656 1.00 93.39 C +HETATM 38 OD1 HYP A 6 -17.119 -1.164 16.561 1.00 89.68 O +ATOM 39 N GLY A 7 -14.947 -4.705 13.367 1.00 95.41 N +ATOM 40 CA GLY A 7 -14.011 -5.507 12.609 1.00 95.26 C +ATOM 41 C GLY A 7 -12.674 -4.807 12.476 1.00 95.62 C +ATOM 42 O GLY A 7 -12.542 -3.623 12.793 1.00 94.83 O +ATOM 43 N PRO A 8 -11.670 -5.523 11.996 1.00 94.32 N +ATOM 44 CA PRO A 8 -10.345 -4.932 11.826 1.00 94.66 C +ATOM 45 C PRO A 8 -10.321 -3.931 10.683 1.00 94.81 C +ATOM 46 O PRO A 8 -11.137 -3.999 9.769 1.00 93.43 O +ATOM 47 CB PRO A 8 -9.452 -6.136 11.528 1.00 92.94 C +ATOM 48 CG PRO A 8 -10.385 -7.098 10.868 1.00 92.02 C +ATOM 49 CD PRO A 8 -11.702 -6.922 11.584 1.00 93.83 C +HETATM 50 N HYP A 9 -9.403 -3.027 10.696 1.00 95.37 N +HETATM 51 CA HYP A 9 -9.193 -2.075 9.615 1.00 94.79 C +HETATM 52 C HYP A 9 -8.798 -2.761 8.381 1.00 95.65 C +HETATM 53 O HYP A 9 -8.149 -3.817 8.384 1.00 94.23 O +HETATM 54 CB HYP A 9 -7.993 -1.228 10.170 1.00 93.61 C +HETATM 55 CG HYP A 9 -8.150 -1.294 11.641 1.00 91.76 C +HETATM 56 CD HYP A 9 -8.612 -2.710 11.856 1.00 93.73 C +HETATM 57 OD1 HYP A 9 -9.142 -0.391 12.090 1.00 90.28 O +ATOM 58 N GLY A 10 -9.154 -2.169 7.213 1.00 94.66 N +ATOM 59 CA GLY A 10 -8.795 -2.718 5.927 1.00 93.87 C +ATOM 60 C GLY A 10 -7.297 -2.638 5.676 1.00 94.23 C +ATOM 61 O GLY A 10 -6.547 -1.991 6.409 1.00 93.49 O +ATOM 62 N GLU A 11 -6.864 -3.327 4.613 1.00 92.14 N +ATOM 63 CA GLU A 11 -5.458 -3.328 4.228 1.00 92.76 C +ATOM 64 C GLU A 11 -5.013 -1.933 3.810 1.00 92.45 C +ATOM 65 O GLU A 11 -5.803 -1.143 3.309 1.00 90.74 O +ATOM 66 CB GLU A 11 -5.239 -4.291 3.052 1.00 89.70 C +ATOM 67 CG GLU A 11 -5.207 -5.745 3.438 1.00 84.29 C +ATOM 68 CD GLU A 11 -3.866 -6.133 4.019 1.00 80.57 C +ATOM 69 OE1 GLU A 11 -3.810 -6.405 5.229 1.00 76.69 O +ATOM 70 OE2 GLU A 11 -2.881 -6.157 3.261 1.00 77.13 O +ATOM 71 N PRO A 12 -3.721 -1.611 3.991 1.00 91.08 N +ATOM 72 CA PRO A 12 -3.213 -0.338 3.490 1.00 90.56 C +ATOM 73 C PRO A 12 -3.372 -0.272 1.980 1.00 90.48 C +ATOM 74 O PRO A 12 -3.405 -1.305 1.299 1.00 87.42 O +ATOM 75 CB PRO A 12 -1.730 -0.338 3.892 1.00 87.44 C +ATOM 76 CG PRO A 12 -1.670 -1.259 5.069 1.00 86.21 C +ATOM 77 CD PRO A 12 -2.671 -2.335 4.759 1.00 88.50 C +ATOM 78 N GLY A 13 -3.498 0.937 1.472 1.00 93.96 N +ATOM 79 CA GLY A 13 -3.622 1.111 0.037 1.00 92.89 C +ATOM 80 C GLY A 13 -2.344 0.729 -0.688 1.00 93.77 C +ATOM 81 O GLY A 13 -1.303 0.513 -0.064 1.00 93.88 O +ATOM 82 N PRO A 14 -2.403 0.643 -2.022 1.00 92.93 N +ATOM 83 CA PRO A 14 -1.223 0.269 -2.798 1.00 93.67 C +ATOM 84 C PRO A 14 -0.174 1.373 -2.780 1.00 93.61 C +ATOM 85 O PRO A 14 -0.484 2.536 -2.553 1.00 92.56 O +ATOM 86 CB PRO A 14 -1.779 0.048 -4.208 1.00 92.25 C +ATOM 87 CG PRO A 14 -2.971 0.931 -4.262 1.00 90.48 C +ATOM 88 CD PRO A 14 -3.576 0.860 -2.882 1.00 92.18 C +HETATM 89 N HYP A 15 1.053 1.027 -3.046 1.00 88.67 N +HETATM 90 CA HYP A 15 2.149 1.963 -3.158 1.00 91.66 C +HETATM 91 C HYP A 15 1.937 2.950 -4.297 1.00 89.18 C +HETATM 92 O HYP A 15 1.242 2.620 -5.265 1.00 91.96 O +HETATM 93 CB HYP A 15 3.314 1.049 -3.493 1.00 89.99 C +HETATM 94 CG HYP A 15 2.934 -0.279 -2.893 1.00 89.86 C +HETATM 95 CD HYP A 15 1.447 -0.337 -3.137 1.00 91.31 C +HETATM 96 OD1 HYP A 15 3.182 -0.321 -1.527 1.00 91.44 O +ATOM 97 N GLY A 16 2.427 4.135 -4.155 1.00 96.03 N +ATOM 98 CA GLY A 16 2.336 5.101 -5.216 1.00 95.35 C +ATOM 99 C GLY A 16 3.196 4.676 -6.400 1.00 95.64 C +ATOM 100 O GLY A 16 3.994 3.743 -6.300 1.00 95.34 O +ATOM 101 N PRO A 17 3.033 5.367 -7.530 1.00 89.81 N +ATOM 102 CA PRO A 17 3.817 5.020 -8.714 1.00 90.45 C +ATOM 103 C PRO A 17 5.285 5.370 -8.528 1.00 89.53 C +ATOM 104 O PRO A 17 5.633 6.242 -7.738 1.00 88.77 O +ATOM 105 CB PRO A 17 3.173 5.854 -9.823 1.00 89.01 C +ATOM 106 CG PRO A 17 2.600 7.021 -9.093 1.00 87.00 C +ATOM 107 CD PRO A 17 2.109 6.467 -7.783 1.00 88.96 C +HETATM 108 N HYP A 18 6.149 4.722 -9.266 1.00 91.29 N +HETATM 109 CA HYP A 18 7.576 5.007 -9.252 1.00 92.66 C +HETATM 110 C HYP A 18 7.855 6.424 -9.759 1.00 91.27 C +HETATM 111 O HYP A 18 7.124 6.949 -10.624 1.00 93.22 O +HETATM 112 CB HYP A 18 8.141 4.009 -10.270 1.00 91.25 C +HETATM 113 CG HYP A 18 7.174 2.866 -10.253 1.00 89.64 C +HETATM 114 CD HYP A 18 5.844 3.548 -10.054 1.00 91.60 C +HETATM 115 OD1 HYP A 18 7.420 2.014 -9.172 1.00 91.81 O +ATOM 116 N GLY A 19 8.847 7.069 -9.179 1.00 92.54 N +ATOM 117 CA GLY A 19 9.240 8.383 -9.622 1.00 91.67 C +ATOM 118 C GLY A 19 9.886 8.297 -10.995 1.00 92.24 C +ATOM 119 O GLY A 19 10.190 7.208 -11.493 1.00 92.14 O +ATOM 120 N PRO A 20 10.116 9.446 -11.621 1.00 88.80 N +ATOM 121 CA PRO A 20 10.744 9.454 -12.941 1.00 89.07 C +ATOM 122 C PRO A 20 12.213 9.055 -12.852 1.00 88.14 C +ATOM 123 O PRO A 20 12.837 9.169 -11.800 1.00 87.53 O +ATOM 124 CB PRO A 20 10.577 10.901 -13.402 1.00 86.65 C +ATOM 125 CG PRO A 20 10.538 11.663 -12.126 1.00 83.76 C +ATOM 126 CD PRO A 20 9.794 10.786 -11.149 1.00 87.03 C +HETATM 127 N HYP A 21 12.794 8.587 -13.968 1.00 94.36 N +HETATM 128 CA HYP A 21 14.198 8.255 -14.010 1.00 92.89 C +HETATM 129 C HYP A 21 15.096 9.462 -13.768 1.00 94.75 C +HETATM 130 O HYP A 21 14.685 10.591 -14.053 1.00 93.20 O +HETATM 131 CB HYP A 21 14.390 7.813 -15.483 1.00 92.54 C +HETATM 132 CG HYP A 21 13.060 7.298 -15.901 1.00 91.26 C +HETATM 133 CD HYP A 21 12.093 8.217 -15.179 1.00 93.85 C +HETATM 134 OD1 HYP A 21 12.873 5.982 -15.462 1.00 89.97 O +ATOM 135 N GLY A 22 16.248 9.247 -13.189 1.00 91.04 N +ATOM 136 CA GLY A 22 17.184 10.317 -12.966 1.00 90.25 C +ATOM 137 C GLY A 22 17.690 10.877 -14.283 1.00 90.84 C +ATOM 138 O GLY A 22 17.448 10.306 -15.350 1.00 89.78 O +ATOM 139 N PRO A 23 18.435 11.983 -14.242 1.00 91.10 N +ATOM 140 CA PRO A 23 18.945 12.586 -15.467 1.00 91.45 C +ATOM 141 C PRO A 23 19.991 11.692 -16.114 1.00 90.70 C +ATOM 142 O PRO A 23 20.696 10.944 -15.438 1.00 86.28 O +ATOM 143 CB PRO A 23 19.543 13.913 -14.995 1.00 87.67 C +ATOM 144 CG PRO A 23 19.907 13.648 -13.579 1.00 84.79 C +ATOM 145 CD PRO A 23 18.831 12.733 -13.054 1.00 88.24 C +HETATM 146 N HYP A 24 20.196 11.790 -17.444 1.00 93.47 N +HETATM 147 CA HYP A 24 21.155 10.947 -18.094 1.00 90.23 C +HETATM 148 C HYP A 24 22.576 11.323 -17.712 1.00 93.45 C +HETATM 149 O HYP A 24 22.777 12.489 -17.307 1.00 90.22 O +HETATM 150 CB HYP A 24 21.025 11.359 -19.624 1.00 92.11 C +HETATM 151 CG HYP A 24 19.680 11.978 -19.749 1.00 90.79 C +HETATM 152 CD HYP A 24 19.399 12.576 -18.350 1.00 92.05 C +HETATM 153 OD1 HYP A 24 18.739 10.964 -19.988 1.00 86.58 O +HETATM 154 OXT HYP A 24 23.458 10.476 -17.860 1.00 85.50 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_470.txt b/protein_pdb_470.txt new file mode 100644 index 0000000000000000000000000000000000000000..3fa221b7d3a43797fb15a5bf8465c1f5650f19b1 --- /dev/null +++ b/protein_pdb_470.txt @@ -0,0 +1,1749 @@ +ATOM 1 N GLY A 1 3.621-120.670 -51.256 1.00 54.73 N +ATOM 2 CA GLY A 1 4.313-119.439 -50.822 1.00 59.95 C +ATOM 3 C GLY A 1 3.562-118.884 -49.632 1.00 58.05 C +ATOM 4 O GLY A 1 2.377-119.164 -49.531 1.00 55.93 O +ATOM 5 N GLN A 2 4.237-118.243 -48.723 1.00 62.22 N +ATOM 6 CA GLN A 2 3.560-117.513 -47.655 1.00 67.40 C +ATOM 7 C GLN A 2 3.038-116.198 -48.230 1.00 65.60 C +ATOM 8 O GLN A 2 3.782-115.502 -48.926 1.00 61.82 O +ATOM 9 CB GLN A 2 4.530-117.260 -46.480 1.00 65.03 C +ATOM 10 CG GLN A 2 4.852-118.553 -45.709 1.00 58.78 C +ATOM 11 CD GLN A 2 5.861-118.341 -44.573 1.00 53.72 C +ATOM 12 OE1 GLN A 2 6.471-117.309 -44.401 1.00 52.04 O +ATOM 13 NE2 GLN A 2 6.109-119.350 -43.755 1.00 48.40 N +ATOM 14 N ASP A 3 1.750-115.889 -47.962 1.00 58.47 N +ATOM 15 CA ASP A 3 1.145-114.628 -48.383 1.00 62.95 C +ATOM 16 C ASP A 3 1.885-113.446 -47.730 1.00 60.30 C +ATOM 17 O ASP A 3 2.315-113.511 -46.570 1.00 56.43 O +ATOM 18 CB ASP A 3 -0.364-114.628 -48.048 1.00 60.66 C +ATOM 19 CG ASP A 3 -1.136-115.734 -48.771 1.00 54.99 C +ATOM 20 OD1 ASP A 3 -0.764-116.051 -49.931 1.00 52.21 O +ATOM 21 OD2 ASP A 3 -2.053-116.302 -48.146 1.00 50.62 O +ATOM 22 N GLY A 4 2.058-112.380 -48.479 1.00 55.68 N +ATOM 23 CA GLY A 4 2.683-111.151 -48.003 1.00 56.95 C +ATOM 24 C GLY A 4 1.856-110.519 -46.874 1.00 56.61 C +ATOM 25 O GLY A 4 0.626-110.549 -46.911 1.00 54.24 O +ATOM 26 N ARG A 5 2.518-109.984 -45.862 1.00 58.97 N +ATOM 27 CA ARG A 5 1.828-109.274 -44.778 1.00 65.71 C +ATOM 28 C ARG A 5 1.179-108.011 -45.334 1.00 64.21 C +ATOM 29 O ARG A 5 1.819-107.281 -46.093 1.00 62.79 O +ATOM 30 CB ARG A 5 2.801-108.926 -43.636 1.00 63.81 C +ATOM 31 CG ARG A 5 3.334-110.179 -42.911 1.00 57.93 C +ATOM 32 CD ARG A 5 4.236-109.745 -41.750 1.00 55.66 C +ATOM 33 NE ARG A 5 4.810-110.906 -41.029 1.00 52.69 N +ATOM 34 CZ ARG A 5 5.636-110.858 -39.998 1.00 47.03 C +ATOM 35 NH1 ARG A 5 6.047-109.715 -39.507 1.00 47.38 N +ATOM 36 NH2 ARG A 5 6.068-111.952 -39.448 1.00 46.46 N +ATOM 37 N ASN A 6 -0.068-107.758 -44.951 1.00 60.26 N +ATOM 38 CA ASN A 6 -0.729-106.494 -45.261 1.00 64.53 C +ATOM 39 C ASN A 6 0.090-105.323 -44.712 1.00 62.57 C +ATOM 40 O ASN A 6 0.661-105.416 -43.622 1.00 59.07 O +ATOM 41 CB ASN A 6 -2.163-106.486 -44.702 1.00 61.41 C +ATOM 42 CG ASN A 6 -3.122-107.419 -45.429 1.00 55.90 C +ATOM 43 OD1 ASN A 6 -2.775-108.124 -46.358 1.00 52.95 O +ATOM 44 ND2 ASN A 6 -4.363-107.475 -45.014 1.00 51.15 N +ATOM 45 N GLY A 7 0.138-104.218 -45.450 1.00 60.88 N +ATOM 46 CA GLY A 7 0.785-102.985 -45.002 1.00 61.32 C +ATOM 47 C GLY A 7 0.112-102.426 -43.746 1.00 61.23 C +ATOM 48 O GLY A 7 -1.104-102.530 -43.578 1.00 58.48 O +ATOM 49 N GLU A 8 0.889-101.879 -42.839 1.00 57.04 N +ATOM 50 CA GLU A 8 0.370-101.253 -41.623 1.00 62.82 C +ATOM 51 C GLU A 8 -0.472-100.022 -41.964 1.00 61.22 C +ATOM 52 O GLU A 8 -0.191 -99.276 -42.912 1.00 59.54 O +ATOM 53 CB GLU A 8 1.515-100.907 -40.646 1.00 61.17 C +ATOM 54 CG GLU A 8 2.211-102.175 -40.113 1.00 56.01 C +ATOM 55 CD GLU A 8 3.335-101.905 -39.086 1.00 52.68 C +ATOM 56 OE1 GLU A 8 3.791-102.907 -38.468 1.00 50.64 O +ATOM 57 OE2 GLU A 8 3.755-100.740 -38.949 1.00 49.16 O +ATOM 58 N ARG A 9 -1.556 -99.777 -41.209 1.00 61.55 N +ATOM 59 CA ARG A 9 -2.426 -98.611 -41.359 1.00 66.45 C +ATOM 60 C ARG A 9 -1.656 -97.335 -41.031 1.00 63.55 C +ATOM 61 O ARG A 9 -0.937 -97.289 -40.040 1.00 59.38 O +ATOM 62 CB ARG A 9 -3.652 -98.786 -40.450 1.00 64.00 C +ATOM 63 CG ARG A 9 -4.724 -97.740 -40.755 1.00 58.61 C +ATOM 64 CD ARG A 9 -5.938 -97.967 -39.847 1.00 58.08 C +ATOM 65 NE ARG A 9 -7.141 -97.336 -40.398 1.00 55.23 N +ATOM 66 CZ ARG A 9 -8.356 -97.403 -39.910 1.00 49.88 C +ATOM 67 NH1 ARG A 9 -8.613 -97.955 -38.743 1.00 50.09 N +ATOM 68 NH2 ARG A 9 -9.353 -96.942 -40.590 1.00 49.21 N +ATOM 69 N GLY A 10 -1.803 -96.367 -41.864 1.00 64.05 N +ATOM 70 CA GLY A 10 -1.188 -95.069 -41.597 1.00 64.65 C +ATOM 71 C GLY A 10 -1.669 -94.459 -40.274 1.00 63.83 C +ATOM 72 O GLY A 10 -2.843 -94.585 -39.917 1.00 61.14 O +ATOM 73 N GLU A 11 -0.773 -93.771 -39.529 1.00 58.86 N +ATOM 74 CA GLU A 11 -1.089 -93.104 -38.269 1.00 64.75 C +ATOM 75 C GLU A 11 -2.067 -91.950 -38.485 1.00 62.60 C +ATOM 76 O GLU A 11 -2.062 -91.260 -39.511 1.00 60.62 O +ATOM 77 CB GLU A 11 0.188 -92.617 -37.562 1.00 63.10 C +ATOM 78 CG GLU A 11 1.112 -93.770 -37.126 1.00 58.26 C +ATOM 79 CD GLU A 11 2.334 -93.307 -36.310 1.00 55.85 C +ATOM 80 OE1 GLU A 11 2.970 -94.186 -35.666 1.00 53.26 O +ATOM 81 OE2 GLU A 11 2.626 -92.091 -36.321 1.00 51.66 O +ATOM 82 N GLN A 12 -2.955 -91.690 -37.500 1.00 65.35 N +ATOM 83 CA GLN A 12 -3.883 -90.563 -37.495 1.00 69.17 C +ATOM 84 C GLN A 12 -3.103 -89.237 -37.391 1.00 66.66 C +ATOM 85 O GLN A 12 -2.171 -89.118 -36.608 1.00 61.93 O +ATOM 86 CB GLN A 12 -4.899 -90.744 -36.347 1.00 67.48 C +ATOM 87 CG GLN A 12 -5.993 -89.671 -36.312 1.00 63.84 C +ATOM 88 CD GLN A 12 -7.058 -89.934 -35.250 1.00 61.61 C +ATOM 89 OE1 GLN A 12 -7.078 -90.935 -34.573 1.00 60.26 O +ATOM 90 NE2 GLN A 12 -8.011 -89.032 -35.067 1.00 55.80 N +ATOM 91 N GLY A 13 -3.495 -88.257 -38.188 1.00 69.56 N +ATOM 92 CA GLY A 13 -2.885 -86.928 -38.119 1.00 69.68 C +ATOM 93 C GLY A 13 -3.078 -86.276 -36.740 1.00 69.43 C +ATOM 94 O GLY A 13 -4.113 -86.494 -36.106 1.00 66.69 O +ATOM 95 N PRO A 14 -2.120 -85.452 -36.265 1.00 67.26 N +ATOM 96 CA PRO A 14 -2.231 -84.790 -34.972 1.00 70.34 C +ATOM 97 C PRO A 14 -3.387 -83.784 -34.953 1.00 68.31 C +ATOM 98 O PRO A 14 -3.704 -83.154 -35.970 1.00 66.09 O +ATOM 99 CB PRO A 14 -0.882 -84.102 -34.743 1.00 69.37 C +ATOM 100 CG PRO A 14 -0.366 -83.850 -36.163 1.00 67.44 C +ATOM 101 CD PRO A 14 -0.894 -85.065 -36.935 1.00 69.75 C +ATOM 102 N THR A 15 -4.002 -83.577 -33.775 1.00 70.65 N +ATOM 103 CA THR A 15 -5.011 -82.537 -33.538 1.00 73.04 C +ATOM 104 C THR A 15 -4.432 -81.147 -33.804 1.00 70.39 C +ATOM 105 O THR A 15 -3.290 -80.863 -33.450 1.00 66.21 O +ATOM 106 CB THR A 15 -5.559 -82.635 -32.104 1.00 71.10 C +ATOM 107 OG1 THR A 15 -6.001 -83.946 -31.837 1.00 66.59 O +ATOM 108 CG2 THR A 15 -6.735 -81.704 -31.823 1.00 66.31 C +ATOM 109 N GLY A 16 -5.204 -80.272 -34.447 1.00 72.28 N +ATOM 110 CA GLY A 16 -4.791 -78.891 -34.710 1.00 72.40 C +ATOM 111 C GLY A 16 -4.531 -78.100 -33.416 1.00 72.60 C +ATOM 112 O GLY A 16 -5.177 -78.349 -32.401 1.00 70.58 O +ATOM 113 N PRO A 17 -3.616 -77.115 -33.415 1.00 70.79 N +ATOM 114 CA PRO A 17 -3.311 -76.309 -32.235 1.00 72.74 C +ATOM 115 C PRO A 17 -4.514 -75.447 -31.822 1.00 70.50 C +ATOM 116 O PRO A 17 -5.287 -74.977 -32.668 1.00 68.21 O +ATOM 117 CB PRO A 17 -2.106 -75.449 -32.612 1.00 71.65 C +ATOM 118 CG PRO A 17 -2.231 -75.306 -34.127 1.00 70.49 C +ATOM 119 CD PRO A 17 -2.822 -76.653 -34.550 1.00 73.24 C +ATOM 120 N THR A 18 -4.648 -75.180 -30.515 1.00 73.16 N +ATOM 121 CA THR A 18 -5.630 -74.243 -29.971 1.00 74.71 C +ATOM 122 C THR A 18 -5.410 -72.832 -30.524 1.00 72.05 C +ATOM 123 O THR A 18 -4.270 -72.383 -30.661 1.00 67.86 O +ATOM 124 CB THR A 18 -5.563 -74.224 -28.433 1.00 72.74 C +ATOM 125 OG1 THR A 18 -5.664 -75.541 -27.932 1.00 69.15 O +ATOM 126 CG2 THR A 18 -6.679 -73.413 -27.768 1.00 68.63 C +ATOM 127 N GLY A 19 -6.480 -72.100 -30.850 1.00 72.35 N +ATOM 128 CA GLY A 19 -6.414 -70.718 -31.325 1.00 72.74 C +ATOM 129 C GLY A 19 -5.763 -69.772 -30.300 1.00 73.72 C +ATOM 130 O GLY A 19 -5.882 -70.003 -29.098 1.00 71.73 O +ATOM 131 N PRO A 20 -5.094 -68.697 -30.755 1.00 71.18 N +ATOM 132 CA PRO A 20 -4.477 -67.732 -29.847 1.00 73.04 C +ATOM 133 C PRO A 20 -5.528 -67.022 -28.990 1.00 70.85 C +ATOM 134 O PRO A 20 -6.661 -66.801 -29.430 1.00 68.67 O +ATOM 135 CB PRO A 20 -3.708 -66.747 -30.738 1.00 72.04 C +ATOM 136 CG PRO A 20 -4.475 -66.796 -32.056 1.00 71.06 C +ATOM 137 CD PRO A 20 -4.938 -68.257 -32.137 1.00 74.02 C +ATOM 138 N ALA A 21 -5.150 -66.595 -27.754 1.00 74.46 N +ATOM 139 CA ALA A 21 -5.985 -65.767 -26.895 1.00 76.24 C +ATOM 140 C ALA A 21 -6.294 -64.409 -27.559 1.00 74.98 C +ATOM 141 O ALA A 21 -5.478 -63.868 -28.299 1.00 71.34 O +ATOM 142 CB ALA A 21 -5.306 -65.589 -25.533 1.00 73.44 C +ATOM 143 N GLY A 22 -7.484 -63.859 -27.288 1.00 70.78 N +ATOM 144 CA GLY A 22 -7.862 -62.524 -27.758 1.00 71.76 C +ATOM 145 C GLY A 22 -6.950 -61.427 -27.199 1.00 72.82 C +ATOM 146 O GLY A 22 -6.370 -61.585 -26.120 1.00 70.85 O +ATOM 147 N PRO A 23 -6.808 -60.277 -27.903 1.00 68.96 N +ATOM 148 CA PRO A 23 -5.980 -59.167 -27.434 1.00 71.48 C +ATOM 149 C PRO A 23 -6.527 -58.591 -26.121 1.00 69.88 C +ATOM 150 O PRO A 23 -7.737 -58.531 -25.904 1.00 67.74 O +ATOM 151 CB PRO A 23 -5.989 -58.134 -28.565 1.00 69.99 C +ATOM 152 CG PRO A 23 -7.317 -58.391 -29.270 1.00 68.51 C +ATOM 153 CD PRO A 23 -7.494 -59.907 -29.141 1.00 71.40 C +ATOM 154 N ARG A 24 -5.616 -58.071 -25.243 1.00 65.77 N +ATOM 155 CA ARG A 24 -5.978 -57.374 -24.008 1.00 69.75 C +ATOM 156 C ARG A 24 -6.744 -56.083 -24.319 1.00 67.38 C +ATOM 157 O ARG A 24 -6.417 -55.384 -25.271 1.00 63.20 O +ATOM 158 CB ARG A 24 -4.694 -57.105 -23.189 1.00 67.05 C +ATOM 159 CG ARG A 24 -4.950 -56.502 -21.794 1.00 62.93 C +ATOM 160 CD ARG A 24 -3.620 -56.351 -21.062 1.00 62.61 C +ATOM 161 NE ARG A 24 -3.747 -55.768 -19.712 1.00 59.04 N +ATOM 162 CZ ARG A 24 -2.736 -55.495 -18.900 1.00 52.53 C +ATOM 163 NH1 ARG A 24 -1.492 -55.729 -19.230 1.00 52.78 N +ATOM 164 NH2 ARG A 24 -2.920 -54.973 -17.730 1.00 51.14 N +ATOM 165 N GLY A 25 -7.755 -55.764 -23.519 1.00 69.99 N +ATOM 166 CA GLY A 25 -8.507 -54.516 -23.633 1.00 70.86 C +ATOM 167 C GLY A 25 -7.625 -53.268 -23.470 1.00 72.32 C +ATOM 168 O GLY A 25 -6.627 -53.294 -22.743 1.00 69.52 O +ATOM 169 N LEU A 26 -7.986 -52.147 -24.151 1.00 63.51 N +ATOM 170 CA LEU A 26 -7.252 -50.883 -24.042 1.00 67.49 C +ATOM 171 C LEU A 26 -7.413 -50.277 -22.640 1.00 66.24 C +ATOM 172 O LEU A 26 -8.494 -50.323 -22.056 1.00 64.29 O +ATOM 173 CB LEU A 26 -7.720 -49.888 -25.121 1.00 65.68 C +ATOM 174 CG LEU A 26 -7.438 -50.332 -26.571 1.00 61.41 C +ATOM 175 CD1 LEU A 26 -8.038 -49.315 -27.546 1.00 58.81 C +ATOM 176 CD2 LEU A 26 -5.942 -50.444 -26.866 1.00 57.35 C +ATOM 177 N GLN A 27 -6.344 -49.651 -22.120 1.00 67.40 N +ATOM 178 CA GLN A 27 -6.383 -48.919 -20.856 1.00 70.04 C +ATOM 179 C GLN A 27 -7.363 -47.737 -20.943 1.00 67.86 C +ATOM 180 O GLN A 27 -7.434 -47.050 -21.961 1.00 64.10 O +ATOM 181 CB GLN A 27 -4.956 -48.461 -20.503 1.00 68.00 C +ATOM 182 CG GLN A 27 -4.828 -47.847 -19.096 1.00 64.67 C +ATOM 183 CD GLN A 27 -3.392 -47.469 -18.745 1.00 62.66 C +ATOM 184 OE1 GLN A 27 -2.475 -47.577 -19.544 1.00 60.01 O +ATOM 185 NE2 GLN A 27 -3.121 -46.995 -17.545 1.00 55.74 N +ATOM 186 N GLY A 28 -8.110 -47.477 -19.866 1.00 69.41 N +ATOM 187 CA GLY A 28 -9.009 -46.326 -19.768 1.00 70.52 C +ATOM 188 C GLY A 28 -8.265 -44.991 -19.887 1.00 71.83 C +ATOM 189 O GLY A 28 -7.133 -44.855 -19.429 1.00 69.43 O +ATOM 190 N LEU A 29 -8.914 -43.964 -20.496 1.00 63.63 N +ATOM 191 CA LEU A 29 -8.324 -42.630 -20.624 1.00 67.48 C +ATOM 192 C LEU A 29 -8.180 -41.967 -19.246 1.00 66.44 C +ATOM 193 O LEU A 29 -9.075 -42.046 -18.409 1.00 64.62 O +ATOM 194 CB LEU A 29 -9.162 -41.749 -21.564 1.00 65.56 C +ATOM 195 CG LEU A 29 -9.212 -42.231 -23.030 1.00 61.47 C +ATOM 196 CD1 LEU A 29 -10.156 -41.332 -23.835 1.00 59.17 C +ATOM 197 CD2 LEU A 29 -7.840 -42.188 -23.706 1.00 57.23 C +ATOM 198 N GLN A 30 -7.065 -41.236 -19.026 1.00 67.20 N +ATOM 199 CA GLN A 30 -6.856 -40.454 -17.809 1.00 69.70 C +ATOM 200 C GLN A 30 -7.924 -39.356 -17.686 1.00 67.76 C +ATOM 201 O GLN A 30 -8.282 -38.700 -18.664 1.00 63.71 O +ATOM 202 CB GLN A 30 -5.431 -39.881 -17.839 1.00 67.47 C +ATOM 203 CG GLN A 30 -5.017 -39.207 -16.515 1.00 63.78 C +ATOM 204 CD GLN A 30 -3.578 -38.704 -16.540 1.00 61.69 C +ATOM 205 OE1 GLN A 30 -2.900 -38.711 -17.549 1.00 59.02 O +ATOM 206 NE2 GLN A 30 -3.052 -38.225 -15.436 1.00 55.16 N +ATOM 207 N GLY A 31 -8.414 -39.116 -16.471 1.00 67.20 N +ATOM 208 CA GLY A 31 -9.361 -38.035 -16.185 1.00 68.14 C +ATOM 209 C GLY A 31 -8.756 -36.657 -16.465 1.00 69.23 C +ATOM 210 O GLY A 31 -7.573 -36.422 -16.206 1.00 66.80 O +ATOM 211 N LEU A 32 -9.568 -35.704 -16.977 1.00 62.54 N +ATOM 212 CA LEU A 32 -9.116 -34.332 -17.216 1.00 66.26 C +ATOM 213 C LEU A 32 -8.799 -33.643 -15.893 1.00 66.01 C +ATOM 214 O LEU A 32 -9.509 -33.802 -14.895 1.00 64.40 O +ATOM 215 CB LEU A 32 -10.161 -33.546 -18.019 1.00 64.41 C +ATOM 216 CG LEU A 32 -10.409 -34.066 -19.447 1.00 60.30 C +ATOM 217 CD1 LEU A 32 -11.530 -33.266 -20.115 1.00 57.87 C +ATOM 218 CD2 LEU A 32 -9.165 -33.958 -20.333 1.00 56.20 C +ATOM 219 N GLN A 33 -7.734 -32.810 -15.866 1.00 67.31 N +ATOM 220 CA GLN A 33 -7.407 -31.986 -14.705 1.00 70.40 C +ATOM 221 C GLN A 33 -8.531 -30.970 -14.469 1.00 69.19 C +ATOM 222 O GLN A 33 -8.998 -30.324 -15.401 1.00 65.59 O +ATOM 223 CB GLN A 33 -6.047 -31.308 -14.934 1.00 67.80 C +ATOM 224 CG GLN A 33 -5.584 -30.522 -13.700 1.00 63.32 C +ATOM 225 CD GLN A 33 -4.201 -29.902 -13.847 1.00 60.61 C +ATOM 226 OE1 GLN A 33 -3.513 -30.025 -14.842 1.00 58.30 O +ATOM 227 NE2 GLN A 33 -3.731 -29.197 -12.845 1.00 54.41 N +ATOM 228 N GLY A 34 -8.944 -30.798 -13.210 1.00 64.90 N +ATOM 229 CA GLY A 34 -9.893 -29.754 -12.834 1.00 66.30 C +ATOM 230 C GLY A 34 -9.355 -28.350 -13.141 1.00 68.11 C +ATOM 231 O GLY A 34 -8.161 -28.093 -13.005 1.00 65.88 O +ATOM 232 N GLU A 35 -10.253 -27.436 -13.556 1.00 56.72 N +ATOM 233 CA GLU A 35 -9.889 -26.042 -13.815 1.00 62.24 C +ATOM 234 C GLU A 35 -9.352 -25.383 -12.541 1.00 61.52 C +ATOM 235 O GLU A 35 -9.753 -25.697 -11.412 1.00 60.69 O +ATOM 236 CB GLU A 35 -11.075 -25.254 -14.397 1.00 60.59 C +ATOM 237 CG GLU A 35 -11.476 -25.794 -15.792 1.00 56.28 C +ATOM 238 CD GLU A 35 -12.580 -24.956 -16.470 1.00 53.49 C +ATOM 239 OE1 GLU A 35 -12.744 -25.143 -17.701 1.00 51.16 O +ATOM 240 OE2 GLU A 35 -13.244 -24.170 -15.770 1.00 50.04 O +ATOM 241 N ARG A 36 -8.392 -24.449 -12.701 1.00 64.26 N +ATOM 242 CA ARG A 36 -7.878 -23.665 -11.578 1.00 68.15 C +ATOM 243 C ARG A 36 -8.996 -22.776 -11.051 1.00 66.28 C +ATOM 244 O ARG A 36 -9.640 -22.090 -11.835 1.00 62.63 O +ATOM 245 CB ARG A 36 -6.650 -22.850 -12.031 1.00 65.89 C +ATOM 246 CG ARG A 36 -6.017 -22.066 -10.871 1.00 61.85 C +ATOM 247 CD ARG A 36 -4.775 -21.306 -11.341 1.00 61.39 C +ATOM 248 NE ARG A 36 -4.171 -20.540 -10.244 1.00 59.20 N +ATOM 249 CZ ARG A 36 -3.088 -19.780 -10.300 1.00 54.10 C +ATOM 250 NH1 ARG A 36 -2.408 -19.635 -11.411 1.00 54.07 N +ATOM 251 NH2 ARG A 36 -2.669 -19.140 -9.239 1.00 52.65 N +ATOM 252 N GLY A 37 -9.195 -22.752 -9.737 1.00 60.25 N +ATOM 253 CA GLY A 37 -10.150 -21.845 -9.106 1.00 61.48 C +ATOM 254 C GLY A 37 -9.846 -20.382 -9.432 1.00 63.11 C +ATOM 255 O GLY A 37 -8.686 -20.001 -9.597 1.00 60.95 O +ATOM 256 N GLU A 38 -10.901 -19.559 -9.542 1.00 54.29 N +ATOM 257 CA GLU A 38 -10.764 -18.122 -9.777 1.00 60.07 C +ATOM 258 C GLU A 38 -9.966 -17.469 -8.645 1.00 58.04 C +ATOM 259 O GLU A 38 -10.024 -17.868 -7.482 1.00 57.14 O +ATOM 260 CB GLU A 38 -12.132 -17.446 -9.931 1.00 58.89 C +ATOM 261 CG GLU A 38 -12.891 -17.933 -11.189 1.00 54.61 C +ATOM 262 CD GLU A 38 -14.190 -17.146 -11.435 1.00 51.89 C +ATOM 263 OE1 GLU A 38 -14.700 -17.237 -12.576 1.00 49.84 O +ATOM 264 OE2 GLU A 38 -14.666 -16.455 -10.501 1.00 49.16 O +ATOM 265 N GLN A 39 -9.191 -16.426 -8.990 1.00 64.67 N +ATOM 266 CA GLN A 39 -8.450 -15.665 -7.994 1.00 67.47 C +ATOM 267 C GLN A 39 -9.432 -14.977 -7.040 1.00 65.25 C +ATOM 268 O GLN A 39 -10.384 -14.339 -7.475 1.00 61.67 O +ATOM 269 CB GLN A 39 -7.522 -14.667 -8.704 1.00 66.18 C +ATOM 270 CG GLN A 39 -6.617 -13.911 -7.715 1.00 63.33 C +ATOM 271 CD GLN A 39 -5.611 -12.988 -8.397 1.00 61.07 C +ATOM 272 OE1 GLN A 39 -5.501 -12.881 -9.606 1.00 60.60 O +ATOM 273 NE2 GLN A 39 -4.812 -12.289 -7.626 1.00 56.70 N +ATOM 274 N GLY A 40 -9.178 -15.074 -5.741 1.00 57.96 N +ATOM 275 CA GLY A 40 -9.995 -14.398 -4.736 1.00 59.27 C +ATOM 276 C GLY A 40 -10.024 -12.880 -4.939 1.00 59.41 C +ATOM 277 O GLY A 40 -9.052 -12.298 -5.440 1.00 57.44 O +ATOM 278 N PRO A 41 -11.118 -12.194 -4.541 1.00 58.08 N +ATOM 279 CA PRO A 41 -11.219 -10.750 -4.676 1.00 61.51 C +ATOM 280 C PRO A 41 -10.105 -10.048 -3.892 1.00 59.12 C +ATOM 281 O PRO A 41 -9.694 -10.500 -2.818 1.00 57.68 O +ATOM 282 CB PRO A 41 -12.616 -10.376 -4.171 1.00 61.53 C +ATOM 283 CG PRO A 41 -12.953 -11.503 -3.202 1.00 59.52 C +ATOM 284 CD PRO A 41 -12.279 -12.721 -3.848 1.00 61.16 C +ATOM 285 N THR A 42 -9.631 -8.912 -4.420 1.00 64.85 N +ATOM 286 CA THR A 42 -8.654 -8.065 -3.728 1.00 66.13 C +ATOM 287 C THR A 42 -9.205 -7.652 -2.365 1.00 63.19 C +ATOM 288 O THR A 42 -10.362 -7.246 -2.257 1.00 60.18 O +ATOM 289 CB THR A 42 -8.315 -6.820 -4.558 1.00 65.07 C +ATOM 290 OG1 THR A 42 -7.910 -7.207 -5.855 1.00 61.35 O +ATOM 291 CG2 THR A 42 -7.185 -5.990 -3.976 1.00 60.99 C +ATOM 292 N GLY A 43 -8.379 -7.730 -1.322 1.00 56.27 N +ATOM 293 CA GLY A 43 -8.753 -7.300 0.018 1.00 58.02 C +ATOM 294 C GLY A 43 -9.181 -5.823 0.056 1.00 58.63 C +ATOM 295 O GLY A 43 -8.737 -5.024 -0.768 1.00 57.36 O +ATOM 296 N PRO A 44 -10.048 -5.438 1.015 1.00 56.55 N +ATOM 297 CA PRO A 44 -10.489 -4.056 1.148 1.00 60.12 C +ATOM 298 C PRO A 44 -9.287 -3.126 1.381 1.00 57.88 C +ATOM 299 O PRO A 44 -8.299 -3.507 2.006 1.00 56.70 O +ATOM 300 CB PRO A 44 -11.472 -4.040 2.323 1.00 60.22 C +ATOM 301 CG PRO A 44 -11.034 -5.235 3.163 1.00 58.32 C +ATOM 302 CD PRO A 44 -10.556 -6.240 2.115 1.00 58.91 C +ATOM 303 N ALA A 45 -9.398 -1.883 0.883 1.00 62.98 N +ATOM 304 CA ALA A 45 -8.375 -0.871 1.130 1.00 65.30 C +ATOM 305 C ALA A 45 -8.210 -0.639 2.647 1.00 64.17 C +ATOM 306 O ALA A 45 -9.198 -0.601 3.381 1.00 61.24 O +ATOM 307 CB ALA A 45 -8.744 0.418 0.400 1.00 63.42 C +ATOM 308 N GLY A 46 -6.962 -0.459 3.088 1.00 55.79 N +ATOM 309 CA GLY A 46 -6.666 -0.118 4.473 1.00 58.08 C +ATOM 310 C GLY A 46 -7.360 1.177 4.913 1.00 58.92 C +ATOM 311 O GLY A 46 -7.656 2.039 4.080 1.00 57.21 O +ATOM 312 N PRO A 47 -7.630 1.339 6.226 1.00 56.36 N +ATOM 313 CA PRO A 47 -8.265 2.541 6.744 1.00 59.96 C +ATOM 314 C PRO A 47 -7.442 3.787 6.394 1.00 58.65 C +ATOM 315 O PRO A 47 -6.211 3.753 6.326 1.00 57.40 O +ATOM 316 CB PRO A 47 -8.399 2.321 8.254 1.00 59.48 C +ATOM 317 CG PRO A 47 -7.276 1.334 8.572 1.00 57.20 C +ATOM 318 CD PRO A 47 -7.212 0.470 7.311 1.00 57.90 C +ATOM 319 N ARG A 48 -8.132 4.899 6.151 1.00 61.45 N +ATOM 320 CA ARG A 48 -7.462 6.178 5.914 1.00 65.17 C +ATOM 321 C ARG A 48 -6.644 6.562 7.146 1.00 63.45 C +ATOM 322 O ARG A 48 -7.180 6.533 8.250 1.00 60.11 O +ATOM 323 CB ARG A 48 -8.514 7.241 5.563 1.00 62.96 C +ATOM 324 CG ARG A 48 -7.891 8.586 5.201 1.00 58.07 C +ATOM 325 CD ARG A 48 -8.986 9.579 4.823 1.00 58.02 C +ATOM 326 NE ARG A 48 -8.440 10.903 4.501 1.00 55.80 N +ATOM 327 CZ ARG A 48 -9.133 11.975 4.139 1.00 49.39 C +ATOM 328 NH1 ARG A 48 -10.430 11.941 4.020 1.00 49.86 N +ATOM 329 NH2 ARG A 48 -8.536 13.102 3.902 1.00 48.44 N +ATOM 330 N GLY A 49 -5.392 6.970 6.947 1.00 58.18 N +ATOM 331 CA GLY A 49 -4.544 7.490 8.025 1.00 59.58 C +ATOM 332 C GLY A 49 -5.226 8.641 8.770 1.00 60.60 C +ATOM 333 O GLY A 49 -5.969 9.427 8.174 1.00 58.41 O +ATOM 334 N LEU A 50 -4.988 8.722 10.083 1.00 59.31 N +ATOM 335 CA LEU A 50 -5.537 9.782 10.920 1.00 63.09 C +ATOM 336 C LEU A 50 -5.073 11.146 10.409 1.00 62.60 C +ATOM 337 O LEU A 50 -3.950 11.307 9.937 1.00 60.70 O +ATOM 338 CB LEU A 50 -5.164 9.566 12.397 1.00 61.42 C +ATOM 339 CG LEU A 50 -5.766 8.301 13.035 1.00 57.71 C +ATOM 340 CD1 LEU A 50 -5.257 8.144 14.472 1.00 55.75 C +ATOM 341 CD2 LEU A 50 -7.293 8.332 13.077 1.00 54.31 C +ATOM 342 N GLN A 51 -5.968 12.136 10.464 1.00 64.94 N +ATOM 343 CA GLN A 51 -5.607 13.503 10.119 1.00 68.52 C +ATOM 344 C GLN A 51 -4.550 14.005 11.100 1.00 66.86 C +ATOM 345 O GLN A 51 -4.726 13.859 12.304 1.00 62.99 O +ATOM 346 CB GLN A 51 -6.870 14.373 10.104 1.00 65.82 C +ATOM 347 CG GLN A 51 -6.581 15.820 9.679 1.00 61.58 C +ATOM 348 CD GLN A 51 -7.837 16.667 9.520 1.00 59.50 C +ATOM 349 OE1 GLN A 51 -8.972 16.228 9.615 1.00 57.98 O +ATOM 350 NE2 GLN A 51 -7.688 17.953 9.251 1.00 54.18 N +ATOM 351 N GLY A 52 -3.469 14.606 10.596 1.00 62.24 N +ATOM 352 CA GLY A 52 -2.454 15.230 11.441 1.00 63.12 C +ATOM 353 C GLY A 52 -3.069 16.276 12.371 1.00 64.72 C +ATOM 354 O GLY A 52 -4.013 16.977 11.996 1.00 62.45 O +ATOM 355 N GLU A 53 -2.548 16.369 13.600 1.00 56.42 N +ATOM 356 CA GLU A 53 -3.001 17.351 14.577 1.00 61.44 C +ATOM 357 C GLU A 53 -2.809 18.771 14.037 1.00 60.93 C +ATOM 358 O GLU A 53 -1.879 19.071 13.278 1.00 59.53 O +ATOM 359 CB GLU A 53 -2.298 17.162 15.925 1.00 59.52 C +ATOM 360 CG GLU A 53 -2.667 15.805 16.570 1.00 54.89 C +ATOM 361 CD GLU A 53 -2.116 15.643 18.000 1.00 51.68 C +ATOM 362 OE1 GLU A 53 -2.624 14.721 18.682 1.00 49.44 O +ATOM 363 OE2 GLU A 53 -1.231 16.423 18.381 1.00 47.98 O +ATOM 364 N ARG A 54 -3.754 19.657 14.391 1.00 65.46 N +ATOM 365 CA ARG A 54 -3.634 21.066 14.024 1.00 69.39 C +ATOM 366 C ARG A 54 -2.431 21.662 14.741 1.00 67.79 C +ATOM 367 O ARG A 54 -2.322 21.509 15.948 1.00 63.65 O +ATOM 368 CB ARG A 54 -4.942 21.788 14.379 1.00 66.32 C +ATOM 369 CG ARG A 54 -4.911 23.264 13.963 1.00 61.65 C +ATOM 370 CD ARG A 54 -6.237 23.939 14.312 1.00 62.14 C +ATOM 371 NE ARG A 54 -6.233 25.353 13.943 1.00 59.26 N +ATOM 372 CZ ARG A 54 -7.223 26.212 14.136 1.00 53.95 C +ATOM 373 NH1 ARG A 54 -8.348 25.845 14.688 1.00 53.84 N +ATOM 374 NH2 ARG A 54 -7.091 27.442 13.770 1.00 52.15 N +ATOM 375 N GLY A 55 -1.579 22.372 14.014 1.00 61.87 N +ATOM 376 CA GLY A 55 -0.458 23.087 14.617 1.00 62.28 C +ATOM 377 C GLY A 55 -0.926 24.030 15.726 1.00 63.51 C +ATOM 378 O GLY A 55 -1.989 24.647 15.633 1.00 61.29 O +ATOM 379 N GLU A 56 -0.123 24.137 16.802 1.00 57.16 N +ATOM 380 CA GLU A 56 -0.413 25.020 17.926 1.00 62.19 C +ATOM 381 C GLU A 56 -0.519 26.472 17.455 1.00 61.52 C +ATOM 382 O GLU A 56 0.160 26.920 16.533 1.00 59.88 O +ATOM 383 CB GLU A 56 0.645 24.886 19.029 1.00 60.19 C +ATOM 384 CG GLU A 56 0.632 23.490 19.690 1.00 55.41 C +ATOM 385 CD GLU A 56 1.568 23.399 20.915 1.00 52.57 C +ATOM 386 OE1 GLU A 56 1.401 22.427 21.677 1.00 50.24 O +ATOM 387 OE2 GLU A 56 2.415 24.300 21.076 1.00 48.78 O +ATOM 388 N GLN A 57 -1.431 27.212 18.082 1.00 64.95 N +ATOM 389 CA GLN A 57 -1.571 28.633 17.794 1.00 68.88 C +ATOM 390 C GLN A 57 -0.296 29.363 18.235 1.00 68.07 C +ATOM 391 O GLN A 57 0.146 29.202 19.366 1.00 64.10 O +ATOM 392 CB GLN A 57 -2.827 29.171 18.476 1.00 66.55 C +ATOM 393 CG GLN A 57 -3.071 30.652 18.144 1.00 63.35 C +ATOM 394 CD GLN A 57 -4.376 31.203 18.723 1.00 61.57 C +ATOM 395 OE1 GLN A 57 -5.241 30.515 19.232 1.00 60.33 O +ATOM 396 NE2 GLN A 57 -4.582 32.500 18.636 1.00 56.42 N +ATOM 397 N GLY A 58 0.255 30.188 17.365 1.00 59.48 N +ATOM 398 CA GLY A 58 1.400 31.013 17.711 1.00 60.09 C +ATOM 399 C GLY A 58 1.120 31.898 18.941 1.00 60.14 C +ATOM 400 O GLY A 58 -0.016 32.309 19.159 1.00 57.94 O +ATOM 401 N PRO A 59 2.154 32.208 19.759 1.00 58.46 N +ATOM 402 CA PRO A 59 1.983 33.029 20.952 1.00 63.14 C +ATOM 403 C PRO A 59 1.415 34.400 20.580 1.00 61.51 C +ATOM 404 O PRO A 59 1.745 34.974 19.537 1.00 59.80 O +ATOM 405 CB PRO A 59 3.367 33.122 21.603 1.00 62.88 C +ATOM 406 CG PRO A 59 4.328 32.887 20.440 1.00 61.23 C +ATOM 407 CD PRO A 59 3.555 31.902 19.557 1.00 63.49 C +ATOM 408 N THR A 60 0.552 34.938 21.450 1.00 64.08 N +ATOM 409 CA THR A 60 0.031 36.296 21.275 1.00 66.11 C +ATOM 410 C THR A 60 1.190 37.296 21.331 1.00 63.75 C +ATOM 411 O THR A 60 2.020 37.212 22.226 1.00 60.26 O +ATOM 412 CB THR A 60 -1.013 36.631 22.353 1.00 64.80 C +ATOM 413 OG1 THR A 60 -2.038 35.659 22.345 1.00 61.05 O +ATOM 414 CG2 THR A 60 -1.687 37.981 22.139 1.00 61.51 C +ATOM 415 N GLY A 61 1.221 38.239 20.388 1.00 56.39 N +ATOM 416 CA GLY A 61 2.215 39.305 20.396 1.00 57.46 C +ATOM 417 C GLY A 61 2.205 40.074 21.723 1.00 57.26 C +ATOM 418 O GLY A 61 1.154 40.296 22.326 1.00 55.48 O +ATOM 419 N LEU A 62 3.391 40.466 22.188 1.00 56.29 N +ATOM 420 CA LEU A 62 3.525 41.239 23.420 1.00 60.36 C +ATOM 421 C LEU A 62 2.767 42.576 23.284 1.00 58.23 C +ATOM 422 O LEU A 62 2.774 43.200 22.222 1.00 56.85 O +ATOM 423 CB LEU A 62 5.007 41.474 23.756 1.00 59.57 C +ATOM 424 CG LEU A 62 5.801 40.195 24.107 1.00 57.10 C +ATOM 425 CD1 LEU A 62 7.273 40.544 24.315 1.00 55.54 C +ATOM 426 CD2 LEU A 62 5.283 39.523 25.384 1.00 54.12 C +ATOM 427 N ALA A 63 2.128 43.012 24.371 1.00 63.23 N +ATOM 428 CA ALA A 63 1.489 44.321 24.396 1.00 65.87 C +ATOM 429 C ALA A 63 2.531 45.419 24.124 1.00 64.49 C +ATOM 430 O ALA A 63 3.645 45.372 24.645 1.00 60.91 O +ATOM 431 CB ALA A 63 0.783 44.513 25.739 1.00 63.49 C +ATOM 432 N GLY A 64 2.145 46.420 23.323 1.00 57.76 N +ATOM 433 CA GLY A 64 2.986 47.588 23.091 1.00 58.86 C +ATOM 434 C GLY A 64 3.302 48.301 24.409 1.00 58.80 C +ATOM 435 O GLY A 64 2.473 48.344 25.319 1.00 56.90 O +ATOM 436 N LYS A 65 4.517 48.848 24.515 1.00 54.44 N +ATOM 437 CA LYS A 65 4.908 49.632 25.698 1.00 59.17 C +ATOM 438 C LYS A 65 3.961 50.824 25.848 1.00 56.30 C +ATOM 439 O LYS A 65 3.573 51.444 24.856 1.00 56.26 O +ATOM 440 CB LYS A 65 6.367 50.100 25.593 1.00 58.61 C +ATOM 441 CG LYS A 65 7.373 48.935 25.651 1.00 55.74 C +ATOM 442 CD LYS A 65 8.810 49.473 25.593 1.00 54.51 C +ATOM 443 CE LYS A 65 9.828 48.327 25.621 1.00 51.88 C +ATOM 444 NZ LYS A 65 11.219 48.839 25.539 1.00 46.26 N +ATOM 445 N ALA A 66 3.594 51.156 27.084 1.00 61.54 N +ATOM 446 CA ALA A 66 2.846 52.380 27.355 1.00 64.33 C +ATOM 447 C ALA A 66 3.649 53.598 26.872 1.00 63.40 C +ATOM 448 O ALA A 66 4.870 53.630 27.026 1.00 60.09 O +ATOM 449 CB ALA A 66 2.525 52.457 28.849 1.00 62.20 C +ATOM 450 N GLY A 67 2.946 54.583 26.302 1.00 58.49 N +ATOM 451 CA GLY A 67 3.565 55.844 25.918 1.00 60.04 C +ATOM 452 C GLY A 67 4.176 56.560 27.129 1.00 60.68 C +ATOM 453 O GLY A 67 3.666 56.455 28.243 1.00 58.71 O +ATOM 454 N GLU A 68 5.274 57.286 26.902 1.00 50.27 N +ATOM 455 CA GLU A 68 5.904 58.082 27.952 1.00 54.34 C +ATOM 456 C GLU A 68 4.949 59.175 28.451 1.00 52.33 C +ATOM 457 O GLU A 68 4.129 59.713 27.702 1.00 51.93 O +ATOM 458 CB GLU A 68 7.242 58.671 27.475 1.00 54.69 C +ATOM 459 CG GLU A 68 8.277 57.562 27.200 1.00 50.96 C +ATOM 460 CD GLU A 68 9.678 58.091 26.847 1.00 48.26 C +ATOM 461 OE1 GLU A 68 10.615 57.254 26.887 1.00 47.30 O +ATOM 462 OE2 GLU A 68 9.802 59.290 26.539 1.00 46.70 O +ATOM 463 N ALA A 69 5.006 59.473 29.761 1.00 59.25 N +ATOM 464 CA ALA A 69 4.212 60.555 30.321 1.00 61.80 C +ATOM 465 C ALA A 69 4.607 61.890 29.672 1.00 60.57 C +ATOM 466 O ALA A 69 5.787 62.166 29.489 1.00 58.04 O +ATOM 467 CB ALA A 69 4.398 60.585 31.845 1.00 60.44 C +ATOM 468 N GLY A 70 3.602 62.736 29.382 1.00 57.48 N +ATOM 469 CA GLY A 70 3.849 64.068 28.842 1.00 58.74 C +ATOM 470 C GLY A 70 4.742 64.899 29.763 1.00 59.15 C +ATOM 471 O GLY A 70 4.676 64.785 30.990 1.00 57.29 O +ATOM 472 N ALA A 71 5.572 65.758 29.168 1.00 55.19 N +ATOM 473 CA ALA A 71 6.444 66.656 29.914 1.00 59.40 C +ATOM 474 C ALA A 71 5.612 67.573 30.833 1.00 58.79 C +ATOM 475 O ALA A 71 4.497 67.980 30.508 1.00 57.79 O +ATOM 476 CB ALA A 71 7.319 67.450 28.932 1.00 58.17 C +ATOM 477 N LYS A 72 6.161 67.897 32.020 1.00 58.11 N +ATOM 478 CA LYS A 72 5.521 68.846 32.929 1.00 63.31 C +ATOM 479 C LYS A 72 5.454 70.217 32.248 1.00 61.40 C +ATOM 480 O LYS A 72 6.465 70.674 31.727 1.00 59.73 O +ATOM 481 CB LYS A 72 6.316 68.888 34.243 1.00 61.60 C +ATOM 482 CG LYS A 72 5.666 69.792 35.300 1.00 57.10 C +ATOM 483 CD LYS A 72 6.523 69.797 36.573 1.00 57.00 C +ATOM 484 CE LYS A 72 5.929 70.742 37.612 1.00 55.01 C +ATOM 485 NZ LYS A 72 6.806 70.861 38.797 1.00 49.09 N +ATOM 486 N GLY A 73 4.298 70.883 32.304 1.00 57.28 N +ATOM 487 CA GLY A 73 4.148 72.235 31.776 1.00 59.01 C +ATOM 488 C GLY A 73 5.115 73.218 32.433 1.00 59.66 C +ATOM 489 O GLY A 73 5.438 73.092 33.617 1.00 57.82 O +ATOM 490 N GLU A 74 5.580 74.214 31.660 1.00 50.67 N +ATOM 491 CA GLU A 74 6.478 75.257 32.150 1.00 54.61 C +ATOM 492 C GLU A 74 5.791 76.113 33.224 1.00 52.96 C +ATOM 493 O GLU A 74 4.570 76.288 33.247 1.00 52.38 O +ATOM 494 CB GLU A 74 6.998 76.129 30.990 1.00 54.82 C +ATOM 495 CG GLU A 74 7.867 75.324 30.006 1.00 51.62 C +ATOM 496 CD GLU A 74 8.538 76.192 28.930 1.00 48.98 C +ATOM 497 OE1 GLU A 74 9.486 75.684 28.291 1.00 48.25 O +ATOM 498 OE2 GLU A 74 8.112 77.354 28.758 1.00 47.56 O +ATOM 499 N THR A 75 6.573 76.597 34.173 1.00 60.99 N +ATOM 500 CA THR A 75 6.062 77.528 35.188 1.00 62.31 C +ATOM 501 C THR A 75 5.691 78.843 34.504 1.00 59.30 C +ATOM 502 O THR A 75 6.485 79.369 33.737 1.00 57.04 O +ATOM 503 CB THR A 75 7.098 77.757 36.298 1.00 62.13 C +ATOM 504 OG1 THR A 75 7.462 76.514 36.861 1.00 58.25 O +ATOM 505 CG2 THR A 75 6.576 78.620 37.442 1.00 58.01 C +ATOM 506 N GLY A 76 4.518 79.374 34.791 1.00 58.05 N +ATOM 507 CA GLY A 76 4.099 80.671 34.261 1.00 58.61 C +ATOM 508 C GLY A 76 5.079 81.788 34.617 1.00 58.50 C +ATOM 509 O GLY A 76 5.754 81.720 35.646 1.00 56.95 O +ATOM 510 N PRO A 77 5.179 82.876 33.812 1.00 56.09 N +ATOM 511 CA PRO A 77 6.071 84.004 34.062 1.00 58.93 C +ATOM 512 C PRO A 77 5.726 84.697 35.387 1.00 56.37 C +ATOM 513 O PRO A 77 4.578 84.688 35.844 1.00 55.79 O +ATOM 514 CB PRO A 77 5.914 84.939 32.847 1.00 59.59 C +ATOM 515 CG PRO A 77 4.505 84.634 32.342 1.00 58.42 C +ATOM 516 CD PRO A 77 4.358 83.136 32.628 1.00 61.57 C +ATOM 517 N ALA A 78 6.727 85.354 36.025 1.00 58.39 N +ATOM 518 CA ALA A 78 6.489 86.162 37.214 1.00 60.34 C +ATOM 519 C ALA A 78 5.517 87.307 36.899 1.00 58.55 C +ATOM 520 O ALA A 78 5.581 87.914 35.836 1.00 56.23 O +ATOM 521 CB ALA A 78 7.832 86.688 37.745 1.00 59.45 C +ATOM 522 N GLY A 79 4.638 87.614 37.843 1.00 56.85 N +ATOM 523 CA GLY A 79 3.715 88.731 37.709 1.00 58.09 C +ATOM 524 C GLY A 79 4.443 90.072 37.552 1.00 59.04 C +ATOM 525 O GLY A 79 5.560 90.229 38.044 1.00 57.68 O +ATOM 526 N PRO A 80 3.822 91.088 36.910 1.00 57.68 N +ATOM 527 CA PRO A 80 4.424 92.394 36.714 1.00 61.25 C +ATOM 528 C PRO A 80 4.729 93.067 38.054 1.00 59.85 C +ATOM 529 O PRO A 80 4.034 92.871 39.055 1.00 59.19 O +ATOM 530 CB PRO A 80 3.417 93.194 35.868 1.00 61.13 C +ATOM 531 CG PRO A 80 2.079 92.540 36.198 1.00 59.07 C +ATOM 532 CD PRO A 80 2.454 91.077 36.399 1.00 61.43 C +ATOM 533 N GLN A 81 5.797 93.919 38.075 1.00 55.60 N +ATOM 534 CA GLN A 81 6.112 94.727 39.264 1.00 58.94 C +ATOM 535 C GLN A 81 4.962 95.689 39.563 1.00 57.05 C +ATOM 536 O GLN A 81 4.426 96.333 38.663 1.00 55.24 O +ATOM 537 CB GLN A 81 7.436 95.470 39.018 1.00 58.40 C +ATOM 538 CG GLN A 81 7.914 96.231 40.267 1.00 55.26 C +ATOM 539 CD GLN A 81 9.275 96.907 40.078 1.00 53.65 C +ATOM 540 OE1 GLN A 81 9.917 96.848 39.051 1.00 54.39 O +ATOM 541 NE2 GLN A 81 9.775 97.580 41.096 1.00 50.43 N +ATOM 542 N GLY A 82 4.602 95.820 40.825 1.00 58.88 N +ATOM 543 CA GLY A 82 3.580 96.765 41.261 1.00 60.17 C +ATOM 544 C GLY A 82 3.930 98.220 40.900 1.00 61.73 C +ATOM 545 O GLY A 82 5.113 98.567 40.799 1.00 60.23 O +ATOM 546 N PRO A 83 2.927 99.132 40.732 1.00 58.68 N +ATOM 547 CA PRO A 83 3.164 100.529 40.392 1.00 61.96 C +ATOM 548 C PRO A 83 4.006 101.215 41.466 1.00 61.07 C +ATOM 549 O PRO A 83 3.953 100.886 42.655 1.00 60.17 O +ATOM 550 CB PRO A 83 1.765 101.153 40.241 1.00 61.14 C +ATOM 551 CG PRO A 83 0.886 100.273 41.115 1.00 58.57 C +ATOM 552 CD PRO A 83 1.512 98.890 40.955 1.00 60.12 C +ATOM 553 N ARG A 84 4.817 102.171 41.044 1.00 59.49 N +ATOM 554 CA ARG A 84 5.578 103.009 41.973 1.00 62.86 C +ATOM 555 C ARG A 84 4.605 103.750 42.896 1.00 60.78 C +ATOM 556 O ARG A 84 3.621 104.303 42.419 1.00 58.43 O +ATOM 557 CB ARG A 84 6.462 103.967 41.172 1.00 61.52 C +ATOM 558 CG ARG A 84 7.358 104.837 42.072 1.00 57.46 C +ATOM 559 CD ARG A 84 8.243 105.733 41.211 1.00 58.30 C +ATOM 560 NE ARG A 84 9.096 106.611 42.038 1.00 57.22 N +ATOM 561 CZ ARG A 84 9.967 107.494 41.592 1.00 51.79 C +ATOM 562 NH1 ARG A 84 10.162 107.689 40.309 1.00 52.53 N +ATOM 563 NH2 ARG A 84 10.660 108.210 42.428 1.00 52.01 N +ATOM 564 N GLY A 85 4.899 103.830 44.192 1.00 58.05 N +ATOM 565 CA GLY A 85 4.121 104.608 45.150 1.00 59.57 C +ATOM 566 C GLY A 85 4.063 106.087 44.766 1.00 61.54 C +ATOM 567 O GLY A 85 5.017 106.636 44.207 1.00 59.73 O +ATOM 568 N GLU A 86 2.945 106.754 45.083 1.00 49.98 N +ATOM 569 CA GLU A 86 2.760 108.177 44.823 1.00 54.78 C +ATOM 570 C GLU A 86 3.794 109.011 45.574 1.00 53.73 C +ATOM 571 O GLU A 86 4.249 108.664 46.667 1.00 53.12 O +ATOM 572 CB GLU A 86 1.327 108.614 45.181 1.00 54.52 C +ATOM 573 CG GLU A 86 0.267 107.935 44.291 1.00 50.37 C +ATOM 574 CD GLU A 86 -1.162 108.447 44.538 1.00 47.57 C +ATOM 575 OE1 GLU A 86 -2.033 108.139 43.680 1.00 45.85 O +ATOM 576 OE2 GLU A 86 -1.375 109.133 45.565 1.00 45.46 O +ATOM 577 N GLN A 87 4.206 110.149 44.985 1.00 57.88 N +ATOM 578 CA GLN A 87 5.102 111.091 45.646 1.00 59.69 C +ATOM 579 C GLN A 87 4.408 111.668 46.884 1.00 56.97 C +ATOM 580 O GLN A 87 3.254 112.085 46.822 1.00 54.76 O +ATOM 581 CB GLN A 87 5.519 112.180 44.644 1.00 59.22 C +ATOM 582 CG GLN A 87 6.554 113.152 45.242 1.00 55.98 C +ATOM 583 CD GLN A 87 7.079 114.172 44.223 1.00 54.69 C +ATOM 584 OE1 GLN A 87 6.770 114.178 43.050 1.00 55.65 O +ATOM 585 NE2 GLN A 87 7.915 115.088 44.657 1.00 51.72 N +ATOM 586 N GLY A 88 5.112 111.726 47.997 1.00 56.59 N +ATOM 587 CA GLY A 88 4.596 112.357 49.206 1.00 57.76 C +ATOM 588 C GLY A 88 4.249 113.832 48.978 1.00 58.34 C +ATOM 589 O GLY A 88 4.885 114.497 48.152 1.00 56.83 O +ATOM 590 N PRO A 89 3.281 114.426 49.712 1.00 53.88 N +ATOM 591 CA PRO A 89 2.891 115.820 49.576 1.00 56.69 C +ATOM 592 C PRO A 89 4.072 116.749 49.873 1.00 54.95 C +ATOM 593 O PRO A 89 4.919 116.446 50.722 1.00 54.38 O +ATOM 594 CB PRO A 89 1.717 116.029 50.551 1.00 56.99 C +ATOM 595 CG PRO A 89 1.937 114.946 51.603 1.00 55.05 C +ATOM 596 CD PRO A 89 2.538 113.789 50.799 1.00 56.54 C +ATOM 597 N GLN A 90 4.129 117.910 49.203 1.00 54.02 N +ATOM 598 CA GLN A 90 5.144 118.924 49.463 1.00 56.33 C +ATOM 599 C GLN A 90 5.053 119.413 50.919 1.00 54.19 C +ATOM 600 O GLN A 90 3.963 119.651 51.438 1.00 52.74 O +ATOM 601 CB GLN A 90 4.976 120.072 48.452 1.00 56.34 C +ATOM 602 CG GLN A 90 6.097 121.117 48.558 1.00 52.90 C +ATOM 603 CD GLN A 90 6.001 122.219 47.502 1.00 51.56 C +ATOM 604 OE1 GLN A 90 5.118 122.283 46.671 1.00 51.80 O +ATOM 605 NE2 GLN A 90 6.932 123.152 47.489 1.00 47.98 N +ATOM 606 N GLY A 91 6.199 119.618 51.587 1.00 54.13 N +ATOM 607 CA GLY A 91 6.269 120.178 52.935 1.00 55.44 C +ATOM 608 C GLY A 91 5.659 121.584 52.994 1.00 55.62 C +ATOM 609 O GLY A 91 5.754 122.360 52.053 1.00 54.24 O +ATOM 610 N LEU A 92 5.040 121.912 54.116 1.00 50.51 N +ATOM 611 CA LEU A 92 4.456 123.237 54.329 1.00 53.86 C +ATOM 612 C LEU A 92 5.547 124.326 54.325 1.00 52.80 C +ATOM 613 O LEU A 92 6.666 124.067 54.771 1.00 52.33 O +ATOM 614 CB LEU A 92 3.672 123.262 55.654 1.00 53.74 C +ATOM 615 CG LEU A 92 2.430 122.344 55.691 1.00 51.43 C +ATOM 616 CD1 LEU A 92 1.817 122.355 57.080 1.00 50.18 C +ATOM 617 CD2 LEU A 92 1.362 122.772 54.686 1.00 49.44 C +ATOM 618 N PRO A 93 5.242 125.554 53.871 1.00 56.62 N +ATOM 619 CA PRO A 93 6.178 126.667 53.930 1.00 58.01 C +ATOM 620 C PRO A 93 6.678 126.898 55.363 1.00 55.18 C +ATOM 621 O PRO A 93 5.897 126.849 56.319 1.00 54.69 O +ATOM 622 CB PRO A 93 5.429 127.900 53.406 1.00 59.33 C +ATOM 623 CG PRO A 93 4.340 127.313 52.526 1.00 56.64 C +ATOM 624 CD PRO A 93 4.000 126.004 53.193 1.00 59.04 C +ATOM 625 N GLY A 94 7.972 127.233 55.522 1.00 52.30 N +ATOM 626 CA GLY A 94 8.559 127.561 56.813 1.00 53.98 C +ATOM 627 C GLY A 94 7.862 128.764 57.469 1.00 54.20 C +ATOM 628 O GLY A 94 7.421 129.695 56.801 1.00 52.98 O +ATOM 629 N ALA A 95 7.803 128.795 58.810 1.00 50.01 N +ATOM 630 CA ALA A 95 7.235 129.905 59.572 1.00 53.01 C +ATOM 631 C ALA A 95 8.026 131.202 59.336 1.00 52.98 C +ATOM 632 O ALA A 95 9.255 131.207 59.201 1.00 51.91 O +ATOM 633 CB ALA A 95 7.195 129.516 61.061 1.00 51.98 C +ATOM 634 N ARG A 96 7.320 132.304 59.273 1.00 52.76 N +ATOM 635 CA ARG A 96 7.947 133.615 59.118 1.00 55.07 C +ATOM 636 C ARG A 96 8.807 133.939 60.331 1.00 53.32 C +ATOM 637 O ARG A 96 8.357 133.778 61.458 1.00 52.29 O +ATOM 638 CB ARG A 96 6.854 134.666 58.899 1.00 55.17 C +ATOM 639 CG ARG A 96 7.420 136.061 58.597 1.00 49.13 C +ATOM 640 CD ARG A 96 6.281 137.039 58.332 1.00 49.49 C +ATOM 641 NE ARG A 96 6.779 138.370 57.956 1.00 48.59 N +ATOM 642 CZ ARG A 96 6.059 139.414 57.641 1.00 44.08 C +ATOM 643 NH1 ARG A 96 4.756 139.382 57.672 1.00 45.38 N +ATOM 644 NH2 ARG A 96 6.629 140.528 57.292 1.00 44.72 N +ATOM 645 N GLY A 97 10.027 134.479 60.121 1.00 52.28 N +ATOM 646 CA GLY A 97 10.946 134.885 61.178 1.00 54.19 C +ATOM 647 C GLY A 97 10.336 135.943 62.116 1.00 54.94 C +ATOM 648 O GLY A 97 9.589 136.826 61.680 1.00 53.62 O +ATOM 649 N GLU A 98 10.678 135.848 63.377 1.00 48.52 N +ATOM 650 CA GLU A 98 10.222 136.803 64.389 1.00 51.22 C +ATOM 651 C GLU A 98 10.754 138.209 64.120 1.00 51.13 C +ATOM 652 O GLU A 98 11.840 138.415 63.559 1.00 50.70 O +ATOM 653 CB GLU A 98 10.598 136.324 65.806 1.00 50.91 C +ATOM 654 CG GLU A 98 9.885 135.012 66.187 1.00 46.59 C +ATOM 655 CD GLU A 98 10.062 134.627 67.656 1.00 44.59 C +ATOM 656 OE1 GLU A 98 9.254 133.777 68.136 1.00 42.78 O +ATOM 657 OE2 GLU A 98 10.976 135.184 68.315 1.00 41.96 O +ATOM 658 N ARG A 99 9.966 139.206 64.533 1.00 53.06 N +ATOM 659 CA ARG A 99 10.325 140.615 64.353 1.00 54.28 C +ATOM 660 C ARG A 99 11.445 141.003 65.313 1.00 52.55 C +ATOM 661 O ARG A 99 11.293 140.848 66.518 1.00 51.32 O +ATOM 662 CB ARG A 99 9.060 141.468 64.544 1.00 54.26 C +ATOM 663 CG ARG A 99 9.243 142.926 64.113 1.00 48.77 C +ATOM 664 CD ARG A 99 7.932 143.687 64.309 1.00 48.17 C +ATOM 665 NE ARG A 99 7.976 145.025 63.725 1.00 47.08 N +ATOM 666 CZ ARG A 99 7.034 145.948 63.809 1.00 41.85 C +ATOM 667 NH1 ARG A 99 5.929 145.739 64.462 1.00 43.73 N +ATOM 668 NH2 ARG A 99 7.184 147.105 63.228 1.00 42.59 N +ATOM 669 N GLY A 100 12.573 141.639 64.830 1.00 51.69 N +ATOM 670 CA GLY A 100 13.697 142.129 65.633 1.00 53.21 C +ATOM 671 C GLY A 100 13.313 143.291 66.564 1.00 53.84 C +ATOM 672 O GLY A 100 12.424 144.086 66.241 1.00 52.32 O +ATOM 673 N PHE A 101 14.043 143.505 67.748 1.00 49.85 N +ATOM 674 CA PHE A 101 13.872 144.599 68.710 1.00 53.64 C +ATOM 675 C PHE A 101 14.355 145.941 68.134 1.00 53.67 C +ATOM 676 O PHE A 101 15.300 145.978 67.352 1.00 52.90 O +ATOM 677 CB PHE A 101 14.584 144.244 70.023 1.00 53.31 C +ATOM 678 CG PHE A 101 13.887 143.161 70.828 1.00 49.86 C +ATOM 679 CD1 PHE A 101 12.859 143.500 71.736 1.00 46.68 C +ATOM 680 CD2 PHE A 101 14.248 141.809 70.679 1.00 45.03 C +ATOM 681 CE1 PHE A 101 12.195 142.504 72.476 1.00 40.79 C +ATOM 682 CE2 PHE A 101 13.581 140.810 71.416 1.00 42.81 C +ATOM 683 CZ PHE A 101 12.554 141.155 72.317 1.00 42.54 C +ATOM 684 N PRO A 102 13.749 147.112 68.548 1.00 55.89 N +ATOM 685 CA PRO A 102 13.920 148.377 67.859 1.00 58.82 C +ATOM 686 C PRO A 102 15.179 149.129 68.318 1.00 58.63 C +ATOM 687 O PRO A 102 15.142 149.777 69.361 1.00 57.35 O +ATOM 688 CB PRO A 102 12.637 149.154 68.149 1.00 58.16 C +ATOM 689 CG PRO A 102 12.236 148.680 69.530 1.00 54.47 C +ATOM 690 CD PRO A 102 12.724 147.239 69.577 1.00 57.02 C +ATOM 691 N VAL A 103 16.243 149.114 67.538 1.00 51.16 N +ATOM 692 CA VAL A 103 17.285 150.148 67.574 1.00 54.74 C +ATOM 693 C VAL A 103 17.686 150.568 66.136 1.00 54.65 C +ATOM 694 O VAL A 103 18.018 151.721 65.918 1.00 52.23 O +ATOM 695 CB VAL A 103 18.515 149.804 68.428 1.00 53.16 C +ATOM 696 CG1 VAL A 103 19.127 151.086 68.982 1.00 46.36 C +ATOM 697 CG2 VAL A 103 18.243 148.925 69.643 1.00 46.38 C +ATOM 698 N GLU A 104 17.552 149.792 65.218 1.00 50.11 N +ATOM 699 CA GLU A 104 17.607 150.090 63.788 1.00 54.08 C +ATOM 700 C GLU A 104 16.588 149.228 63.044 1.00 54.19 C +ATOM 701 O GLU A 104 16.123 148.199 63.559 1.00 52.53 O +ATOM 702 CB GLU A 104 19.034 149.873 63.230 1.00 52.55 C +ATOM 703 CG GLU A 104 20.016 150.943 63.744 1.00 47.12 C +ATOM 704 CD GLU A 104 21.379 150.915 63.025 1.00 44.18 C +ATOM 705 OE1 GLU A 104 22.111 151.927 63.173 1.00 41.53 O +ATOM 706 OE2 GLU A 104 21.668 149.906 62.353 1.00 41.54 O +ATOM 707 N ARG A 105 16.200 149.689 61.879 1.00 55.45 N +ATOM 708 CA ARG A 105 15.202 148.947 61.086 1.00 57.25 C +ATOM 709 C ARG A 105 15.712 147.539 60.799 1.00 56.45 C +ATOM 710 O ARG A 105 16.573 147.355 59.957 1.00 53.60 O +ATOM 711 CB ARG A 105 14.891 149.747 59.799 1.00 56.02 C +ATOM 712 CG ARG A 105 13.507 149.462 59.219 1.00 49.43 C +ATOM 713 CD ARG A 105 13.314 150.279 57.937 1.00 47.74 C +ATOM 714 NE ARG A 105 11.900 150.502 57.615 1.00 45.46 N +ATOM 715 CZ ARG A 105 11.430 151.068 56.517 1.00 40.81 C +ATOM 716 NH1 ARG A 105 12.210 151.477 55.559 1.00 41.37 N +ATOM 717 NH2 ARG A 105 10.143 151.256 56.355 1.00 39.90 N +ATOM 718 N GLY A 106 15.202 146.642 61.545 1.00 50.31 N +ATOM 719 CA GLY A 106 15.604 145.258 61.400 1.00 52.10 C +ATOM 720 C GLY A 106 15.325 144.749 59.986 1.00 52.95 C +ATOM 721 O GLY A 106 14.266 145.014 59.416 1.00 51.65 O +ATOM 722 N VAL A 107 16.316 144.095 59.457 1.00 53.58 N +ATOM 723 CA VAL A 107 16.146 143.388 58.195 1.00 56.69 C +ATOM 724 C VAL A 107 15.084 142.313 58.341 1.00 56.16 C +ATOM 725 O VAL A 107 14.959 141.668 59.389 1.00 54.81 O +ATOM 726 CB VAL A 107 17.487 142.822 57.675 1.00 56.03 C +ATOM 727 CG1 VAL A 107 18.342 143.932 57.076 1.00 51.79 C +ATOM 728 CG2 VAL A 107 18.304 142.118 58.761 1.00 52.22 C +ATOM 729 N GLN A 108 14.306 142.210 57.345 1.00 54.50 N +ATOM 730 CA GLN A 108 13.307 141.150 57.316 1.00 57.01 C +ATOM 731 C GLN A 108 13.994 139.804 57.467 1.00 55.87 C +ATOM 732 O GLN A 108 15.001 139.545 56.812 1.00 54.12 O +ATOM 733 CB GLN A 108 12.510 141.276 56.003 1.00 56.52 C +ATOM 734 CG GLN A 108 11.400 140.223 55.861 1.00 51.48 C +ATOM 735 CD GLN A 108 10.536 140.435 54.607 1.00 50.12 C +ATOM 736 OE1 GLN A 108 10.629 141.412 53.878 1.00 50.15 O +ATOM 737 NE2 GLN A 108 9.643 139.519 54.311 1.00 46.88 N +ATOM 738 N GLY A 109 13.492 139.051 58.354 1.00 54.65 N +ATOM 739 CA GLY A 109 13.996 137.697 58.510 1.00 56.17 C +ATOM 740 C GLY A 109 13.940 136.940 57.174 1.00 56.00 C +ATOM 741 O GLY A 109 13.026 137.186 56.374 1.00 54.93 O +ATOM 742 N PRO A 110 14.921 136.118 56.926 1.00 54.57 N +ATOM 743 CA PRO A 110 14.929 135.334 55.704 1.00 56.98 C +ATOM 744 C PRO A 110 13.648 134.497 55.583 1.00 54.71 C +ATOM 745 O PRO A 110 13.069 134.099 56.599 1.00 54.15 O +ATOM 746 CB PRO A 110 16.193 134.462 55.775 1.00 57.70 C +ATOM 747 CG PRO A 110 16.437 134.340 57.269 1.00 55.78 C +ATOM 748 CD PRO A 110 15.979 135.671 57.811 1.00 57.19 C +ATOM 749 N PRO A 111 13.218 134.278 54.398 1.00 56.45 N +ATOM 750 CA PRO A 111 12.118 133.345 54.199 1.00 58.05 C +ATOM 751 C PRO A 111 12.401 132.025 54.913 1.00 55.27 C +ATOM 752 O PRO A 111 13.542 131.576 54.993 1.00 55.02 O +ATOM 753 CB PRO A 111 11.995 133.145 52.686 1.00 59.58 C +ATOM 754 CG PRO A 111 12.634 134.395 52.096 1.00 56.46 C +ATOM 755 CD PRO A 111 13.710 134.754 53.101 1.00 59.70 C +ATOM 756 N GLY A 112 11.395 131.484 55.455 1.00 54.11 N +ATOM 757 CA GLY A 112 11.502 130.140 55.983 1.00 55.83 C +ATOM 758 C GLY A 112 12.006 129.180 54.901 1.00 56.45 C +ATOM 759 O GLY A 112 11.702 129.365 53.722 1.00 54.93 O +ATOM 760 N LYS A 113 12.801 128.242 55.300 1.00 54.89 N +ATOM 761 CA LYS A 113 13.288 127.220 54.363 1.00 58.80 C +ATOM 762 C LYS A 113 12.106 126.500 53.724 1.00 57.85 C +ATOM 763 O LYS A 113 11.103 126.243 54.382 1.00 56.80 O +ATOM 764 CB LYS A 113 14.202 126.214 55.075 1.00 57.92 C +ATOM 765 CG LYS A 113 15.486 126.839 55.621 1.00 53.66 C +ATOM 766 CD LYS A 113 16.355 125.764 56.273 1.00 52.14 C +ATOM 767 CE LYS A 113 17.632 126.357 56.867 1.00 48.86 C +ATOM 768 NZ LYS A 113 18.436 125.332 57.557 1.00 44.10 N +ATOM 769 N ASP A 114 12.270 126.227 52.489 1.00 59.34 N +ATOM 770 CA ASP A 114 11.293 125.380 51.830 1.00 61.19 C +ATOM 771 C ASP A 114 11.118 124.071 52.597 1.00 59.62 C +ATOM 772 O ASP A 114 12.069 123.526 53.159 1.00 57.08 O +ATOM 773 CB ASP A 114 11.704 125.113 50.370 1.00 59.57 C +ATOM 774 CG ASP A 114 11.671 126.366 49.492 1.00 55.80 C +ATOM 775 OD1 ASP A 114 10.865 127.259 49.789 1.00 53.35 O +ATOM 776 OD2 ASP A 114 12.463 126.405 48.530 1.00 52.91 O +ATOM 777 N GLY A 115 9.925 123.677 52.681 1.00 54.29 N +ATOM 778 CA GLY A 115 9.627 122.381 53.273 1.00 55.05 C +ATOM 779 C GLY A 115 10.381 121.267 52.537 1.00 55.03 C +ATOM 780 O GLY A 115 10.537 121.309 51.315 1.00 53.51 O +ATOM 781 N GLU A 116 10.854 120.336 53.276 1.00 51.28 N +ATOM 782 CA GLU A 116 11.517 119.189 52.680 1.00 53.54 C +ATOM 783 C GLU A 116 10.585 118.450 51.727 1.00 52.00 C +ATOM 784 O GLU A 116 9.372 118.355 51.935 1.00 51.55 O +ATOM 785 CB GLU A 116 12.074 118.247 53.765 1.00 53.52 C +ATOM 786 CG GLU A 116 13.188 118.922 54.591 1.00 49.42 C +ATOM 787 CD GLU A 116 13.885 118.002 55.606 1.00 47.26 C +ATOM 788 OE1 GLU A 116 14.962 118.414 56.093 1.00 46.02 O +ATOM 789 OE2 GLU A 116 13.344 116.906 55.894 1.00 44.90 O +ATOM 790 N ALA A 117 11.159 118.008 50.676 1.00 56.66 N +ATOM 791 CA ALA A 117 10.388 117.200 49.749 1.00 57.32 C +ATOM 792 C ALA A 117 9.810 115.979 50.467 1.00 55.48 C +ATOM 793 O ALA A 117 10.481 115.347 51.279 1.00 53.95 O +ATOM 794 CB ALA A 117 11.274 116.796 48.556 1.00 56.67 C +ATOM 795 N GLY A 118 8.601 115.733 50.182 1.00 51.29 N +ATOM 796 CA GLY A 118 7.958 114.553 50.729 1.00 52.53 C +ATOM 797 C GLY A 118 8.760 113.294 50.415 1.00 52.48 C +ATOM 798 O GLY A 118 9.345 113.160 49.339 1.00 51.29 O +ATOM 799 N ALA A 119 8.809 112.434 51.359 1.00 50.94 N +ATOM 800 CA ALA A 119 9.480 111.162 51.165 1.00 53.69 C +ATOM 801 C ALA A 119 8.881 110.398 49.973 1.00 53.22 C +ATOM 802 O ALA A 119 7.672 110.454 49.715 1.00 52.32 O +ATOM 803 CB ALA A 119 9.408 110.351 52.475 1.00 52.80 C +ATOM 804 N GLN A 120 9.729 109.725 49.268 1.00 51.03 N +ATOM 805 CA GLN A 120 9.254 108.854 48.185 1.00 53.54 C +ATOM 806 C GLN A 120 8.319 107.789 48.756 1.00 52.56 C +ATOM 807 O GLN A 120 8.629 107.152 49.763 1.00 51.70 O +ATOM 808 CB GLN A 120 10.468 108.244 47.455 1.00 53.70 C +ATOM 809 CG GLN A 120 10.052 107.351 46.280 1.00 49.72 C +ATOM 810 CD GLN A 120 11.250 106.827 45.486 1.00 48.34 C +ATOM 811 OE1 GLN A 120 12.381 107.236 45.613 1.00 49.32 O +ATOM 812 NE2 GLN A 120 11.027 105.882 44.587 1.00 45.85 N +ATOM 813 N GLY A 121 7.204 107.615 48.131 1.00 50.27 N +ATOM 814 CA GLY A 121 6.277 106.560 48.511 1.00 52.17 C +ATOM 815 C GLY A 121 6.947 105.183 48.474 1.00 51.92 C +ATOM 816 O GLY A 121 7.872 104.963 47.688 1.00 51.17 O +ATOM 817 N PRO A 122 6.504 104.306 49.316 1.00 51.27 N +ATOM 818 CA PRO A 122 7.033 102.954 49.327 1.00 53.71 C +ATOM 819 C PRO A 122 6.841 102.288 47.955 1.00 51.85 C +ATOM 820 O PRO A 122 5.919 102.608 47.203 1.00 51.71 O +ATOM 821 CB PRO A 122 6.278 102.216 50.442 1.00 54.31 C +ATOM 822 CG PRO A 122 4.965 102.968 50.531 1.00 53.39 C +ATOM 823 CD PRO A 122 5.369 104.406 50.218 1.00 55.57 C +ATOM 824 N ALA A 123 7.714 101.360 47.622 1.00 54.78 N +ATOM 825 CA ALA A 123 7.527 100.554 46.424 1.00 56.33 C +ATOM 826 C ALA A 123 6.192 99.790 46.490 1.00 54.85 C +ATOM 827 O ALA A 123 5.806 99.303 47.555 1.00 53.30 O +ATOM 828 CB ALA A 123 8.719 99.593 46.253 1.00 55.76 C +ATOM 829 N GLY A 124 5.530 99.731 45.392 1.00 53.66 N +ATOM 830 CA GLY A 124 4.303 98.949 45.296 1.00 55.56 C +ATOM 831 C GLY A 124 4.539 97.477 45.639 1.00 55.41 C +ATOM 832 O GLY A 124 5.655 96.977 45.487 1.00 54.29 O +ATOM 833 N PRO A 125 3.522 96.842 46.124 1.00 51.43 N +ATOM 834 CA PRO A 125 3.633 95.423 46.433 1.00 54.44 C +ATOM 835 C PRO A 125 4.039 94.628 45.183 1.00 52.67 C +ATOM 836 O PRO A 125 3.726 95.002 44.051 1.00 52.58 O +ATOM 837 CB PRO A 125 2.257 94.998 46.971 1.00 54.91 C +ATOM 838 CG PRO A 125 1.304 95.985 46.321 1.00 53.65 C +ATOM 839 CD PRO A 125 2.133 97.272 46.254 1.00 55.98 C +ATOM 840 N MET A 126 4.748 93.530 45.403 1.00 55.77 N +ATOM 841 CA MET A 126 5.066 92.601 44.323 1.00 57.62 C +ATOM 842 C MET A 126 3.776 92.059 43.705 1.00 57.29 C +ATOM 843 O MET A 126 2.831 91.731 44.420 1.00 55.16 O +ATOM 844 CB MET A 126 5.962 91.478 44.875 1.00 56.49 C +ATOM 845 CG MET A 126 6.429 90.513 43.780 1.00 51.30 C +ATOM 846 SD MET A 126 7.493 89.152 44.379 1.00 48.71 S +ATOM 847 CE MET A 126 8.959 90.071 44.898 1.00 47.16 C +ATOM 848 N GLY A 127 3.726 92.002 42.409 1.00 56.18 N +ATOM 849 CA GLY A 127 2.610 91.392 41.703 1.00 58.08 C +ATOM 850 C GLY A 127 2.398 89.935 42.116 1.00 58.33 C +ATOM 851 O GLY A 127 3.338 89.282 42.578 1.00 57.05 O +ATOM 852 N PRO A 128 1.197 89.464 41.988 1.00 55.06 N +ATOM 853 CA PRO A 128 0.914 88.073 42.300 1.00 58.62 C +ATOM 854 C PRO A 128 1.797 87.141 41.463 1.00 57.25 C +ATOM 855 O PRO A 128 2.210 87.474 40.348 1.00 56.65 O +ATOM 856 CB PRO A 128 -0.584 87.872 42.012 1.00 58.40 C +ATOM 857 CG PRO A 128 -0.888 88.939 40.974 1.00 56.59 C +ATOM 858 CD PRO A 128 0.030 90.093 41.379 1.00 58.74 C +ATOM 859 N ALA A 129 2.105 85.989 42.007 1.00 60.37 N +ATOM 860 CA ALA A 129 2.814 84.971 41.248 1.00 62.60 C +ATOM 861 C ALA A 129 2.010 84.586 40.001 1.00 62.57 C +ATOM 862 O ALA A 129 0.786 84.486 40.052 1.00 60.10 O +ATOM 863 CB ALA A 129 3.081 83.753 42.145 1.00 60.39 C +ATOM 864 N GLY A 130 2.710 84.368 38.914 1.00 58.06 N +ATOM 865 CA GLY A 130 2.079 83.895 37.694 1.00 60.41 C +ATOM 866 C GLY A 130 1.361 82.564 37.905 1.00 61.77 C +ATOM 867 O GLY A 130 1.736 81.759 38.766 1.00 60.28 O +ATOM 868 N GLU A 131 0.335 82.376 37.139 1.00 52.80 N +ATOM 869 CA GLU A 131 -0.420 81.128 37.188 1.00 57.72 C +ATOM 870 C GLU A 131 0.476 79.928 36.878 1.00 57.10 C +ATOM 871 O GLU A 131 1.461 80.001 36.129 1.00 56.39 O +ATOM 872 CB GLU A 131 -1.636 81.172 36.245 1.00 56.50 C +ATOM 873 CG GLU A 131 -2.655 82.241 36.692 1.00 51.36 C +ATOM 874 CD GLU A 131 -3.969 82.212 35.891 1.00 47.91 C +ATOM 875 OE1 GLU A 131 -4.949 82.833 36.390 1.00 46.54 O +ATOM 876 OE2 GLU A 131 -3.994 81.571 34.818 1.00 45.27 O +ATOM 877 N ARG A 132 0.169 78.799 37.509 1.00 59.87 N +ATOM 878 CA ARG A 132 0.896 77.563 37.252 1.00 63.37 C +ATOM 879 C ARG A 132 0.624 77.124 35.818 1.00 62.16 C +ATOM 880 O ARG A 132 -0.532 77.052 35.427 1.00 59.75 O +ATOM 881 CB ARG A 132 0.468 76.503 38.273 1.00 61.45 C +ATOM 882 CG ARG A 132 1.243 75.191 38.097 1.00 55.71 C +ATOM 883 CD ARG A 132 0.795 74.190 39.162 1.00 55.56 C +ATOM 884 NE ARG A 132 1.524 72.919 39.049 1.00 53.99 N +ATOM 885 CZ ARG A 132 1.358 71.856 39.818 1.00 48.50 C +ATOM 886 NH1 ARG A 132 0.490 71.835 40.789 1.00 49.54 N +ATOM 887 NH2 ARG A 132 2.071 70.773 39.613 1.00 48.10 N +ATOM 888 N GLY A 133 1.657 76.808 35.094 1.00 62.36 N +ATOM 889 CA GLY A 133 1.509 76.269 33.750 1.00 63.77 C +ATOM 890 C GLY A 133 0.596 75.043 33.719 1.00 64.81 C +ATOM 891 O GLY A 133 0.539 74.271 34.687 1.00 62.92 O +ATOM 892 N GLU A 134 -0.101 74.917 32.632 1.00 53.41 N +ATOM 893 CA GLU A 134 -0.998 73.784 32.429 1.00 58.41 C +ATOM 894 C GLU A 134 -0.242 72.454 32.518 1.00 57.37 C +ATOM 895 O GLU A 134 0.947 72.340 32.195 1.00 56.46 O +ATOM 896 CB GLU A 134 -1.764 73.896 31.102 1.00 57.23 C +ATOM 897 CG GLU A 134 -2.714 75.113 31.092 1.00 52.87 C +ATOM 898 CD GLU A 134 -3.641 75.154 29.855 1.00 49.87 C +ATOM 899 OE1 GLU A 134 -4.649 75.898 29.935 1.00 48.56 O +ATOM 900 OE2 GLU A 134 -3.341 74.435 28.877 1.00 47.48 O +ATOM 901 N LYS A 135 -0.944 71.452 33.029 1.00 64.54 N +ATOM 902 CA LYS A 135 -0.370 70.112 33.104 1.00 67.87 C +ATOM 903 C LYS A 135 -0.174 69.595 31.678 1.00 66.49 C +ATOM 904 O LYS A 135 -1.107 69.642 30.890 1.00 64.50 O +ATOM 905 CB LYS A 135 -1.290 69.210 33.936 1.00 64.74 C +ATOM 906 CG LYS A 135 -0.711 67.807 34.141 1.00 59.09 C +ATOM 907 CD LYS A 135 -1.671 66.938 34.953 1.00 58.36 C +ATOM 908 CE LYS A 135 -1.109 65.524 35.093 1.00 55.89 C +ATOM 909 NZ LYS A 135 -2.073 64.610 35.763 1.00 50.07 N +ATOM 910 N GLY A 136 0.991 69.071 31.391 1.00 62.57 N +ATOM 911 CA GLY A 136 1.231 68.433 30.103 1.00 63.11 C +ATOM 912 C GLY A 136 0.228 67.310 29.831 1.00 63.75 C +ATOM 913 O GLY A 136 -0.196 66.609 30.753 1.00 61.53 O +ATOM 914 N GLU A 137 -0.140 67.180 28.588 1.00 53.81 N +ATOM 915 CA GLU A 137 -1.063 66.128 28.164 1.00 58.25 C +ATOM 916 C GLU A 137 -0.499 64.733 28.478 1.00 56.57 C +ATOM 917 O GLU A 137 0.715 64.510 28.407 1.00 55.72 O +ATOM 918 CB GLU A 137 -1.400 66.243 26.669 1.00 57.46 C +ATOM 919 CG GLU A 137 -2.183 67.526 26.337 1.00 53.64 C +ATOM 920 CD GLU A 137 -2.691 67.558 24.883 1.00 50.50 C +ATOM 921 OE1 GLU A 137 -3.634 68.334 24.624 1.00 49.15 O +ATOM 922 OE2 GLU A 137 -2.153 66.793 24.045 1.00 48.31 O +ATOM 923 N PRO A 138 -1.352 63.782 28.857 1.00 63.27 N +ATOM 924 CA PRO A 138 -0.928 62.401 29.008 1.00 65.36 C +ATOM 925 C PRO A 138 -0.294 61.881 27.717 1.00 63.77 C +ATOM 926 O PRO A 138 -0.788 62.147 26.624 1.00 61.74 O +ATOM 927 CB PRO A 138 -2.180 61.601 29.375 1.00 65.07 C +ATOM 928 CG PRO A 138 -3.124 62.647 29.956 1.00 61.62 C +ATOM 929 CD PRO A 138 -2.773 63.906 29.177 1.00 65.37 C +ATOM 930 N GLY A 139 0.759 61.135 27.875 1.00 59.97 N +ATOM 931 CA GLY A 139 1.352 60.460 26.724 1.00 61.03 C +ATOM 932 C GLY A 139 0.342 59.546 26.031 1.00 61.48 C +ATOM 933 O GLY A 139 -0.520 58.936 26.663 1.00 59.77 O +ATOM 934 N THR A 140 0.455 59.453 24.720 1.00 54.43 N +ATOM 935 CA THR A 140 -0.424 58.580 23.933 1.00 57.63 C +ATOM 936 C THR A 140 -0.229 57.119 24.331 1.00 55.51 C +ATOM 937 O THR A 140 0.877 56.668 24.638 1.00 54.17 O +ATOM 938 CB THR A 140 -0.211 58.758 22.421 1.00 57.53 C +ATOM 939 OG1 THR A 140 1.138 58.591 22.080 1.00 54.81 O +ATOM 940 CG2 THR A 140 -0.622 60.158 21.962 1.00 55.25 C +ATOM 941 N GLN A 141 -1.333 56.381 24.352 1.00 60.43 N +ATOM 942 CA GLN A 141 -1.253 54.953 24.630 1.00 63.99 C +ATOM 943 C GLN A 141 -0.427 54.262 23.537 1.00 62.02 C +ATOM 944 O GLN A 141 -0.639 54.502 22.348 1.00 58.89 O +ATOM 945 CB GLN A 141 -2.671 54.371 24.747 1.00 61.86 C +ATOM 946 CG GLN A 141 -2.660 52.888 25.155 1.00 58.45 C +ATOM 947 CD GLN A 141 -4.059 52.318 25.381 1.00 56.36 C +ATOM 948 OE1 GLN A 141 -5.089 52.956 25.244 1.00 55.74 O +ATOM 949 NE2 GLN A 141 -4.163 51.063 25.757 1.00 51.50 N +ATOM 950 N GLY A 142 0.489 53.385 23.942 1.00 58.46 N +ATOM 951 CA GLY A 142 1.256 52.592 22.993 1.00 59.46 C +ATOM 952 C GLY A 142 0.346 51.742 22.103 1.00 59.59 C +ATOM 953 O GLY A 142 -0.685 51.240 22.541 1.00 57.57 O +ATOM 954 N ALA A 143 0.734 51.582 20.853 1.00 57.06 N +ATOM 955 CA ALA A 143 -0.003 50.742 19.916 1.00 60.44 C +ATOM 956 C ALA A 143 -0.077 49.295 20.439 1.00 59.78 C +ATOM 957 O ALA A 143 0.861 48.778 21.056 1.00 58.21 O +ATOM 958 CB ALA A 143 0.652 50.821 18.528 1.00 58.78 C +ATOM 959 N LYS A 144 -1.223 48.657 20.212 1.00 63.84 N +ATOM 960 CA LYS A 144 -1.382 47.240 20.538 1.00 68.62 C +ATOM 961 C LYS A 144 -0.394 46.424 19.697 1.00 67.33 C +ATOM 962 O LYS A 144 -0.304 46.648 18.499 1.00 64.98 O +ATOM 963 CB LYS A 144 -2.837 46.822 20.297 1.00 65.24 C +ATOM 964 CG LYS A 144 -3.100 45.366 20.718 1.00 59.48 C +ATOM 965 CD LYS A 144 -4.581 45.012 20.532 1.00 59.46 C +ATOM 966 CE LYS A 144 -4.821 43.560 20.959 1.00 56.79 C +ATOM 967 NZ LYS A 144 -6.246 43.191 20.824 1.00 51.32 N +ATOM 968 N GLY A 145 0.293 45.495 20.326 1.00 60.68 N +ATOM 969 CA GLY A 145 1.187 44.598 19.606 1.00 62.09 C +ATOM 970 C GLY A 145 0.440 43.785 18.542 1.00 63.74 C +ATOM 971 O GLY A 145 -0.724 43.420 18.726 1.00 61.24 O +ATOM 972 N ASP A 146 1.125 43.507 17.457 1.00 58.69 N +ATOM 973 CA ASP A 146 0.577 42.703 16.374 1.00 63.22 C +ATOM 974 C ASP A 146 0.217 41.293 16.866 1.00 62.51 C +ATOM 975 O ASP A 146 0.836 40.728 17.778 1.00 60.74 O +ATOM 976 CB ASP A 146 1.547 42.628 15.186 1.00 60.89 C +ATOM 977 CG ASP A 146 1.759 43.997 14.514 1.00 58.01 C +ATOM 978 OD1 ASP A 146 0.762 44.740 14.392 1.00 55.87 O +ATOM 979 OD2 ASP A 146 2.914 44.272 14.147 1.00 53.29 O +ATOM 980 N ARG A 147 -0.826 40.720 16.267 1.00 64.43 N +ATOM 981 CA ARG A 147 -1.210 39.343 16.565 1.00 69.03 C +ATOM 982 C ARG A 147 -0.102 38.414 16.097 1.00 66.61 C +ATOM 983 O ARG A 147 0.325 38.518 14.951 1.00 62.88 O +ATOM 984 CB ARG A 147 -2.555 39.029 15.890 1.00 66.06 C +ATOM 985 CG ARG A 147 -3.046 37.609 16.226 1.00 61.36 C +ATOM 986 CD ARG A 147 -4.400 37.355 15.567 1.00 61.69 C +ATOM 987 NE ARG A 147 -4.902 36.015 15.874 1.00 58.87 N +ATOM 988 CZ ARG A 147 -6.061 35.499 15.484 1.00 53.45 C +ATOM 989 NH1 ARG A 147 -6.895 36.181 14.748 1.00 53.28 N +ATOM 990 NH2 ARG A 147 -6.383 34.288 15.828 1.00 51.47 N +ATOM 991 N GLY A 148 0.297 37.496 16.964 1.00 61.07 N +ATOM 992 CA GLY A 148 1.269 36.482 16.584 1.00 61.78 C +ATOM 993 C GLY A 148 0.807 35.670 15.366 1.00 62.82 C +ATOM 994 O GLY A 148 -0.389 35.424 15.182 1.00 60.45 O +ATOM 995 N GLU A 149 1.758 35.264 14.541 1.00 56.39 N +ATOM 996 CA GLU A 149 1.485 34.449 13.361 1.00 61.21 C +ATOM 997 C GLU A 149 0.851 33.111 13.759 1.00 59.05 C +ATOM 998 O GLU A 149 1.126 32.532 14.818 1.00 57.71 O +ATOM 999 CB GLU A 149 2.755 34.230 12.528 1.00 60.36 C +ATOM 1000 CG GLU A 149 3.300 35.548 11.936 1.00 57.02 C +ATOM 1001 CD GLU A 149 4.477 35.331 10.968 1.00 54.51 C +ATOM 1002 OE1 GLU A 149 4.771 36.289 10.214 1.00 52.85 O +ATOM 1003 OE2 GLU A 149 5.059 34.228 10.976 1.00 52.13 O +ATOM 1004 N THR A 150 -0.043 32.634 12.906 1.00 68.18 N +ATOM 1005 CA THR A 150 -0.643 31.317 13.098 1.00 69.02 C +ATOM 1006 C THR A 150 0.442 30.259 12.930 1.00 66.44 C +ATOM 1007 O THR A 150 1.173 30.297 11.946 1.00 62.88 O +ATOM 1008 CB THR A 150 -1.790 31.085 12.113 1.00 67.37 C +ATOM 1009 OG1 THR A 150 -2.750 32.119 12.235 1.00 63.93 O +ATOM 1010 CG2 THR A 150 -2.534 29.774 12.351 1.00 63.63 C +ATOM 1011 N GLY A 151 0.511 29.309 13.859 1.00 59.89 N +ATOM 1012 CA GLY A 151 1.452 28.203 13.752 1.00 60.73 C +ATOM 1013 C GLY A 151 1.284 27.423 12.442 1.00 61.91 C +ATOM 1014 O GLY A 151 0.190 27.386 11.876 1.00 60.32 O +ATOM 1015 N PRO A 152 2.348 26.795 11.958 1.00 60.36 N +ATOM 1016 CA PRO A 152 2.291 26.022 10.728 1.00 63.60 C +ATOM 1017 C PRO A 152 1.254 24.899 10.841 1.00 61.52 C +ATOM 1018 O PRO A 152 1.017 24.338 11.913 1.00 60.29 O +ATOM 1019 CB PRO A 152 3.705 25.492 10.492 1.00 63.37 C +ATOM 1020 CG PRO A 152 4.306 25.455 11.897 1.00 61.14 C +ATOM 1021 CD PRO A 152 3.654 26.659 12.586 1.00 62.29 C +ATOM 1022 N VAL A 153 0.637 24.557 9.712 1.00 69.03 N +ATOM 1023 CA VAL A 153 -0.283 23.421 9.646 1.00 70.83 C +ATOM 1024 C VAL A 153 0.495 22.139 9.962 1.00 69.81 C +ATOM 1025 O VAL A 153 1.578 21.934 9.411 1.00 66.67 O +ATOM 1026 CB VAL A 153 -0.972 23.342 8.267 1.00 68.23 C +ATOM 1027 CG1 VAL A 153 -1.928 22.153 8.151 1.00 62.67 C +ATOM 1028 CG2 VAL A 153 -1.795 24.611 7.998 1.00 64.45 C +ATOM 1029 N GLY A 154 -0.063 21.296 10.826 1.00 58.36 N +ATOM 1030 CA GLY A 154 0.536 20.011 11.146 1.00 60.10 C +ATOM 1031 C GLY A 154 0.775 19.148 9.895 1.00 61.93 C +ATOM 1032 O GLY A 154 0.053 19.286 8.900 1.00 60.42 O +ATOM 1033 N PRO A 155 1.772 18.271 9.932 1.00 60.95 N +ATOM 1034 CA PRO A 155 2.070 17.413 8.796 1.00 64.46 C +ATOM 1035 C PRO A 155 0.846 16.574 8.417 1.00 63.58 C +ATOM 1036 O PRO A 155 0.032 16.180 9.256 1.00 61.73 O +ATOM 1037 CB PRO A 155 3.264 16.553 9.218 1.00 63.31 C +ATOM 1038 CG PRO A 155 3.162 16.534 10.744 1.00 60.35 C +ATOM 1039 CD PRO A 155 2.589 17.910 11.070 1.00 60.67 C +ATOM 1040 N ARG A 156 0.695 16.298 7.116 1.00 64.39 N +ATOM 1041 CA ARG A 156 -0.371 15.417 6.639 1.00 68.45 C +ATOM 1042 C ARG A 156 -0.164 14.025 7.220 1.00 65.76 C +ATOM 1043 O ARG A 156 0.940 13.503 7.134 1.00 62.57 O +ATOM 1044 CB ARG A 156 -0.373 15.413 5.109 1.00 65.95 C +ATOM 1045 CG ARG A 156 -1.521 14.568 4.529 1.00 61.59 C +ATOM 1046 CD ARG A 156 -1.500 14.655 3.011 1.00 61.09 C +ATOM 1047 NE ARG A 156 -2.593 13.862 2.415 1.00 59.26 N +ATOM 1048 CZ ARG A 156 -2.880 13.787 1.123 1.00 53.10 C +ATOM 1049 NH1 ARG A 156 -2.190 14.438 0.233 1.00 52.97 N +ATOM 1050 NH2 ARG A 156 -3.871 13.052 0.722 1.00 51.61 N +ATOM 1051 N GLY A 157 -1.236 13.424 7.750 1.00 59.09 N +ATOM 1052 CA GLY A 157 -1.191 12.048 8.243 1.00 60.27 C +ATOM 1053 C GLY A 157 -0.681 11.074 7.185 1.00 62.34 C +ATOM 1054 O GLY A 157 -0.926 11.252 5.987 1.00 59.97 O +ATOM 1055 N GLU A 158 0.042 10.066 7.641 1.00 56.94 N +ATOM 1056 CA GLU A 158 0.581 9.029 6.764 1.00 62.22 C +ATOM 1057 C GLU A 158 -0.543 8.301 6.028 1.00 60.82 C +ATOM 1058 O GLU A 158 -1.678 8.165 6.505 1.00 58.89 O +ATOM 1059 CB GLU A 158 1.457 8.051 7.543 1.00 60.26 C +ATOM 1060 CG GLU A 158 2.712 8.749 8.114 1.00 56.16 C +ATOM 1061 CD GLU A 158 3.707 7.773 8.768 1.00 52.87 C +ATOM 1062 OE1 GLU A 158 4.855 8.223 8.991 1.00 50.70 O +ATOM 1063 OE2 GLU A 158 3.320 6.616 9.018 1.00 49.74 O +ATOM 1064 N ARG A 159 -0.243 7.869 4.802 1.00 62.36 N +ATOM 1065 CA ARG A 159 -1.197 7.079 4.026 1.00 65.78 C +ATOM 1066 C ARG A 159 -1.401 5.743 4.722 1.00 62.98 C +ATOM 1067 O ARG A 159 -0.423 5.086 5.040 1.00 60.23 O +ATOM 1068 CB ARG A 159 -0.686 6.920 2.585 1.00 64.05 C +ATOM 1069 CG ARG A 159 -1.689 6.176 1.694 1.00 59.86 C +ATOM 1070 CD ARG A 159 -1.148 6.069 0.269 1.00 59.74 C +ATOM 1071 NE ARG A 159 -2.097 5.372 -0.614 1.00 58.43 N +ATOM 1072 CZ ARG A 159 -1.917 5.105 -1.905 1.00 53.27 C +ATOM 1073 NH1 ARG A 159 -0.833 5.459 -2.529 1.00 53.58 N +ATOM 1074 NH2 ARG A 159 -2.835 4.478 -2.568 1.00 52.22 N +ATOM 1075 N GLY A 160 -2.662 5.343 4.921 1.00 56.76 N +ATOM 1076 CA GLY A 160 -2.964 4.023 5.460 1.00 57.65 C +ATOM 1077 C GLY A 160 -2.314 2.906 4.633 1.00 58.52 C +ATOM 1078 O GLY A 160 -2.196 3.029 3.411 1.00 55.94 O +ATOM 1079 N GLU A 161 -1.890 1.860 5.323 1.00 53.85 N +ATOM 1080 CA GLU A 161 -1.296 0.688 4.678 1.00 58.81 C +ATOM 1081 C GLU A 161 -2.278 0.063 3.680 1.00 56.51 C +ATOM 1082 O GLU A 161 -3.500 0.114 3.843 1.00 55.36 O +ATOM 1083 CB GLU A 161 -0.849 -0.343 5.723 1.00 58.23 C +ATOM 1084 CG GLU A 161 0.298 0.182 6.607 1.00 54.63 C +ATOM 1085 CD GLU A 161 0.836 -0.883 7.586 1.00 51.78 C +ATOM 1086 OE1 GLU A 161 1.936 -0.648 8.117 1.00 50.48 O +ATOM 1087 OE2 GLU A 161 0.142 -1.906 7.794 1.00 49.62 O +ATOM 1088 N ALA A 162 -1.725 -0.509 2.605 1.00 58.57 N +ATOM 1089 CA ALA A 162 -2.536 -1.253 1.653 1.00 60.42 C +ATOM 1090 C ALA A 162 -3.199 -2.449 2.363 1.00 58.88 C +ATOM 1091 O ALA A 162 -2.579 -3.107 3.187 1.00 56.81 O +ATOM 1092 CB ALA A 162 -1.668 -1.693 0.464 1.00 59.47 C +ATOM 1093 N GLY A 163 -4.464 -2.702 2.033 1.00 54.96 N +ATOM 1094 CA GLY A 163 -5.146 -3.881 2.560 1.00 56.36 C +ATOM 1095 C GLY A 163 -4.406 -5.169 2.169 1.00 56.40 C +ATOM 1096 O GLY A 163 -3.743 -5.205 1.129 1.00 54.50 O +ATOM 1097 N PRO A 164 -4.523 -6.224 2.988 1.00 53.68 N +ATOM 1098 CA PRO A 164 -3.896 -7.499 2.677 1.00 57.74 C +ATOM 1099 C PRO A 164 -4.387 -8.028 1.328 1.00 55.96 C +ATOM 1100 O PRO A 164 -5.539 -7.801 0.936 1.00 54.91 O +ATOM 1101 CB PRO A 164 -4.254 -8.435 3.837 1.00 58.02 C +ATOM 1102 CG PRO A 164 -5.552 -7.843 4.387 1.00 55.94 C +ATOM 1103 CD PRO A 164 -5.360 -6.341 4.169 1.00 56.20 C +ATOM 1104 N ALA A 165 -3.520 -8.749 0.614 1.00 56.27 N +ATOM 1105 CA ALA A 165 -3.911 -9.418 -0.612 1.00 59.54 C +ATOM 1106 C ALA A 165 -5.083 -10.381 -0.351 1.00 57.57 C +ATOM 1107 O ALA A 165 -5.154 -11.014 0.711 1.00 55.52 O +ATOM 1108 CB ALA A 165 -2.697 -10.146 -1.213 1.00 58.63 C +ATOM 1109 N GLY A 166 -6.010 -10.456 -1.302 1.00 53.76 N +ATOM 1110 CA GLY A 166 -7.088 -11.435 -1.239 1.00 55.77 C +ATOM 1111 C GLY A 166 -6.526 -12.858 -1.160 1.00 56.14 C +ATOM 1112 O GLY A 166 -5.460 -13.138 -1.704 1.00 54.01 O +ATOM 1113 N LYS A 167 -7.234 -13.725 -0.455 1.00 53.68 N +ATOM 1114 CA LYS A 167 -6.840 -15.131 -0.376 1.00 59.23 C +ATOM 1115 C LYS A 167 -6.888 -15.750 -1.773 1.00 57.76 C +ATOM 1116 O LYS A 167 -7.760 -15.413 -2.565 1.00 56.85 O +ATOM 1117 CB LYS A 167 -7.752 -15.904 0.583 1.00 57.47 C +ATOM 1118 CG LYS A 167 -7.627 -15.420 2.037 1.00 53.78 C +ATOM 1119 CD LYS A 167 -8.531 -16.250 2.951 1.00 51.95 C +ATOM 1120 CE LYS A 167 -8.433 -15.758 4.400 1.00 49.13 C +ATOM 1121 NZ LYS A 167 -9.323 -16.544 5.296 1.00 43.96 N +ATOM 1122 N ASP A 168 -5.968 -16.671 -2.032 1.00 57.21 N +ATOM 1123 CA ASP A 168 -6.024 -17.461 -3.252 1.00 61.68 C +ATOM 1124 C ASP A 168 -7.376 -18.159 -3.369 1.00 60.34 C +ATOM 1125 O ASP A 168 -7.929 -18.636 -2.373 1.00 57.66 O +ATOM 1126 CB ASP A 168 -4.882 -18.495 -3.293 1.00 59.54 C +ATOM 1127 CG ASP A 168 -3.495 -17.880 -3.472 1.00 56.34 C +ATOM 1128 OD1 ASP A 168 -3.408 -16.800 -4.101 1.00 53.79 O +ATOM 1129 OD2 ASP A 168 -2.518 -18.518 -3.019 1.00 52.49 O +ATOM 1130 N GLY A 169 -7.916 -18.188 -4.592 1.00 56.06 N +ATOM 1131 CA GLY A 169 -9.142 -18.918 -4.871 1.00 57.38 C +ATOM 1132 C GLY A 169 -9.005 -20.396 -4.511 1.00 58.03 C +ATOM 1133 O GLY A 169 -7.925 -20.987 -4.635 1.00 55.68 O +ATOM 1134 N GLU A 170 -10.097 -20.984 -4.059 1.00 50.11 N +ATOM 1135 CA GLU A 170 -10.112 -22.417 -3.767 1.00 55.04 C +ATOM 1136 C GLU A 170 -9.753 -23.214 -5.020 1.00 53.53 C +ATOM 1137 O GLU A 170 -10.099 -22.860 -6.150 1.00 52.88 O +ATOM 1138 CB GLU A 170 -11.464 -22.856 -3.186 1.00 55.00 C +ATOM 1139 CG GLU A 170 -11.723 -22.233 -1.798 1.00 51.29 C +ATOM 1140 CD GLU A 170 -12.987 -22.778 -1.109 1.00 48.13 C +ATOM 1141 OE1 GLU A 170 -13.109 -22.515 0.118 1.00 46.40 O +ATOM 1142 OE2 GLU A 170 -13.808 -23.442 -1.771 1.00 45.74 O +ATOM 1143 N ARG A 171 -9.017 -24.293 -4.816 1.00 55.45 N +ATOM 1144 CA ARG A 171 -8.672 -25.184 -5.919 1.00 58.16 C +ATOM 1145 C ARG A 171 -9.951 -25.754 -6.519 1.00 55.87 C +ATOM 1146 O ARG A 171 -10.771 -26.295 -5.785 1.00 54.32 O +ATOM 1147 CB ARG A 171 -7.718 -26.276 -5.422 1.00 57.77 C +ATOM 1148 CG ARG A 171 -7.226 -27.173 -6.569 1.00 53.91 C +ATOM 1149 CD ARG A 171 -6.244 -28.217 -6.041 1.00 53.86 C +ATOM 1150 NE ARG A 171 -5.726 -29.052 -7.131 1.00 52.71 N +ATOM 1151 CZ ARG A 171 -4.785 -29.982 -7.043 1.00 47.73 C +ATOM 1152 NH1 ARG A 171 -4.244 -30.298 -5.904 1.00 48.42 N +ATOM 1153 NH2 ARG A 171 -4.374 -30.604 -8.111 1.00 47.37 N +ATOM 1154 N GLY A 172 -10.081 -25.673 -7.830 1.00 57.03 N +ATOM 1155 CA GLY A 172 -11.210 -26.277 -8.534 1.00 57.52 C +ATOM 1156 C GLY A 172 -11.370 -27.771 -8.209 1.00 57.73 C +ATOM 1157 O GLY A 172 -10.381 -28.439 -7.875 1.00 55.95 O +ATOM 1158 N PRO A 173 -12.598 -28.286 -8.288 1.00 54.38 N +ATOM 1159 CA PRO A 173 -12.850 -29.694 -8.017 1.00 57.82 C +ATOM 1160 C PRO A 173 -12.022 -30.577 -8.961 1.00 55.33 C +ATOM 1161 O PRO A 173 -11.750 -30.217 -10.108 1.00 54.84 O +ATOM 1162 CB PRO A 173 -14.359 -29.896 -8.200 1.00 58.45 C +ATOM 1163 CG PRO A 173 -14.749 -28.775 -9.166 1.00 56.46 C +ATOM 1164 CD PRO A 173 -13.805 -27.636 -8.763 1.00 57.98 C +ATOM 1165 N VAL A 174 -11.634 -31.738 -8.457 1.00 60.92 N +ATOM 1166 CA VAL A 174 -10.951 -32.738 -9.281 1.00 63.11 C +ATOM 1167 C VAL A 174 -11.878 -33.136 -10.437 1.00 61.72 C +ATOM 1168 O VAL A 174 -13.060 -33.392 -10.211 1.00 59.17 O +ATOM 1169 CB VAL A 174 -10.536 -33.972 -8.442 1.00 61.69 C +ATOM 1170 CG1 VAL A 174 -9.840 -35.051 -9.272 1.00 56.70 C +ATOM 1171 CG2 VAL A 174 -9.561 -33.563 -7.324 1.00 57.92 C +ATOM 1172 N GLY A 175 -11.344 -33.161 -11.651 1.00 57.68 N +ATOM 1173 CA GLY A 175 -12.095 -33.592 -12.822 1.00 58.02 C +ATOM 1174 C GLY A 175 -12.655 -35.019 -12.646 1.00 58.30 C +ATOM 1175 O GLY A 175 -12.075 -35.819 -11.910 1.00 56.92 O +ATOM 1176 N PRO A 176 -13.766 -35.326 -13.317 1.00 54.57 N +ATOM 1177 CA PRO A 176 -14.340 -36.663 -13.246 1.00 58.31 C +ATOM 1178 C PRO A 176 -13.319 -37.709 -13.718 1.00 56.09 C +ATOM 1179 O PRO A 176 -12.493 -37.435 -14.589 1.00 55.50 O +ATOM 1180 CB PRO A 176 -15.595 -36.628 -14.127 1.00 59.10 C +ATOM 1181 CG PRO A 176 -15.293 -35.509 -15.126 1.00 57.37 C +ATOM 1182 CD PRO A 176 -14.468 -34.516 -14.292 1.00 58.94 C +ATOM 1183 N ALA A 177 -13.410 -38.896 -13.131 1.00 60.38 N +ATOM 1184 CA ALA A 177 -12.589 -40.017 -13.583 1.00 62.74 C +ATOM 1185 C ALA A 177 -12.804 -40.273 -15.091 1.00 61.25 C +ATOM 1186 O ALA A 177 -13.912 -40.105 -15.605 1.00 58.82 O +ATOM 1187 CB ALA A 177 -12.910 -41.261 -12.742 1.00 61.27 C +ATOM 1188 N GLY A 178 -11.729 -40.654 -15.767 1.00 57.49 N +ATOM 1189 CA GLY A 178 -11.811 -41.069 -17.165 1.00 58.57 C +ATOM 1190 C GLY A 178 -12.797 -42.229 -17.337 1.00 58.84 C +ATOM 1191 O GLY A 178 -12.973 -43.040 -16.432 1.00 57.18 O +ATOM 1192 N LYS A 179 -13.455 -42.243 -18.488 1.00 52.97 N +ATOM 1193 CA LYS A 179 -14.343 -43.365 -18.808 1.00 58.03 C +ATOM 1194 C LYS A 179 -13.524 -44.644 -18.910 1.00 56.49 C +ATOM 1195 O LYS A 179 -12.415 -44.618 -19.445 1.00 55.94 O +ATOM 1196 CB LYS A 179 -15.112 -43.110 -20.117 1.00 57.90 C +ATOM 1197 CG LYS A 179 -16.081 -41.918 -20.006 1.00 55.50 C +ATOM 1198 CD LYS A 179 -16.838 -41.737 -21.325 1.00 54.71 C +ATOM 1199 CE LYS A 179 -17.778 -40.529 -21.217 1.00 51.99 C +ATOM 1200 NZ LYS A 179 -18.504 -40.292 -22.481 1.00 46.39 N +ATOM 1201 N ASP A 180 -14.117 -45.735 -18.427 1.00 58.23 N +ATOM 1202 CA ASP A 180 -13.510 -47.047 -18.591 1.00 61.15 C +ATOM 1203 C ASP A 180 -13.192 -47.312 -20.070 1.00 60.10 C +ATOM 1204 O ASP A 180 -13.945 -46.920 -20.966 1.00 57.72 O +ATOM 1205 CB ASP A 180 -14.435 -48.149 -18.031 1.00 59.46 C +ATOM 1206 CG ASP A 180 -14.676 -48.053 -16.519 1.00 56.12 C +ATOM 1207 OD1 ASP A 180 -13.805 -47.479 -15.823 1.00 53.91 O +ATOM 1208 OD2 ASP A 180 -15.739 -48.532 -16.074 1.00 53.01 O +ATOM 1209 N GLY A 181 -12.068 -47.952 -20.299 1.00 60.49 N +ATOM 1210 CA GLY A 181 -11.699 -48.396 -21.641 1.00 60.92 C +ATOM 1211 C GLY A 181 -12.774 -49.317 -22.222 1.00 61.80 C +ATOM 1212 O GLY A 181 -13.393 -50.103 -21.508 1.00 59.49 O +ATOM 1213 N GLN A 182 -12.999 -49.178 -23.525 1.00 51.81 N +ATOM 1214 CA GLN A 182 -13.915 -50.103 -24.193 1.00 55.60 C +ATOM 1215 C GLN A 182 -13.365 -51.527 -24.095 1.00 54.91 C +ATOM 1216 O GLN A 182 -12.163 -51.736 -24.274 1.00 53.89 O +ATOM 1217 CB GLN A 182 -14.158 -49.696 -25.650 1.00 55.77 C +ATOM 1218 CG GLN A 182 -14.944 -48.375 -25.756 1.00 53.89 C +ATOM 1219 CD GLN A 182 -15.270 -47.968 -27.187 1.00 50.87 C +ATOM 1220 OE1 GLN A 182 -14.845 -48.551 -28.166 1.00 50.56 O +ATOM 1221 NE2 GLN A 182 -16.040 -46.922 -27.381 1.00 46.71 N +ATOM 1222 N ASN A 183 -14.255 -52.473 -23.827 1.00 62.38 N +ATOM 1223 CA ASN A 183 -13.865 -53.875 -23.860 1.00 64.47 C +ATOM 1224 C ASN A 183 -13.254 -54.208 -25.228 1.00 63.40 C +ATOM 1225 O ASN A 183 -13.759 -53.774 -26.265 1.00 60.40 O +ATOM 1226 CB ASN A 183 -15.078 -54.774 -23.569 1.00 61.72 C +ATOM 1227 CG ASN A 183 -15.601 -54.665 -22.149 1.00 56.88 C +ATOM 1228 OD1 ASN A 183 -14.921 -54.284 -21.212 1.00 54.30 O +ATOM 1229 ND2 ASN A 183 -16.838 -55.016 -21.919 1.00 52.78 N +ATOM 1230 N GLY A 184 -12.195 -54.984 -25.208 1.00 59.91 N +ATOM 1231 CA GLY A 184 -11.644 -55.533 -26.446 1.00 60.31 C +ATOM 1232 C GLY A 184 -12.705 -56.329 -27.217 1.00 61.02 C +ATOM 1233 O GLY A 184 -13.564 -56.966 -26.615 1.00 59.08 O +ATOM 1234 N GLN A 185 -12.656 -56.224 -28.532 1.00 51.44 N +ATOM 1235 CA GLN A 185 -13.538 -57.054 -29.360 1.00 55.44 C +ATOM 1236 C GLN A 185 -13.206 -58.529 -29.142 1.00 54.82 C +ATOM 1237 O GLN A 185 -12.030 -58.890 -29.039 1.00 53.68 O +ATOM 1238 CB GLN A 185 -13.412 -56.676 -30.844 1.00 55.30 C +ATOM 1239 CG GLN A 185 -13.982 -55.276 -31.132 1.00 52.93 C +ATOM 1240 CD GLN A 185 -13.908 -54.885 -32.605 1.00 50.33 C +ATOM 1241 OE1 GLN A 185 -13.368 -55.563 -33.467 1.00 49.20 O +ATOM 1242 NE2 GLN A 185 -14.443 -53.739 -32.970 1.00 46.01 N +ATOM 1243 N ASP A 186 -14.241 -59.337 -29.094 1.00 58.05 N +ATOM 1244 CA ASP A 186 -14.051 -60.779 -29.022 1.00 60.85 C +ATOM 1245 C ASP A 186 -13.145 -61.260 -30.165 1.00 59.52 C +ATOM 1246 O ASP A 186 -13.277 -60.828 -31.320 1.00 57.06 O +ATOM 1247 CB ASP A 186 -15.398 -61.519 -29.074 1.00 59.36 C +ATOM 1248 CG ASP A 186 -16.292 -61.295 -27.849 1.00 56.68 C +ATOM 1249 OD1 ASP A 186 -15.740 -61.006 -26.765 1.00 54.87 O +ATOM 1250 OD2 ASP A 186 -17.522 -61.428 -28.011 1.00 53.31 O +ATOM 1251 N GLY A 187 -12.232 -62.134 -29.828 1.00 59.86 N +ATOM 1252 CA GLY A 187 -11.374 -62.751 -30.836 1.00 59.81 C +ATOM 1253 C GLY A 187 -12.211 -63.464 -31.906 1.00 59.98 C +ATOM 1254 O GLY A 187 -13.176 -64.155 -31.596 1.00 57.95 O +ATOM 1255 N LEU A 188 -11.836 -63.286 -33.177 1.00 52.93 N +ATOM 1256 CA LEU A 188 -12.492 -64.029 -34.256 1.00 56.87 C +ATOM 1257 C LEU A 188 -12.265 -65.541 -34.059 1.00 55.92 C +ATOM 1258 O LEU A 188 -11.165 -65.933 -33.674 1.00 55.63 O +ATOM 1259 CB LEU A 188 -11.963 -63.568 -35.623 1.00 56.67 C +ATOM 1260 CG LEU A 188 -12.353 -62.129 -36.013 1.00 53.88 C +ATOM 1261 CD1 LEU A 188 -11.649 -61.744 -37.311 1.00 52.73 C +ATOM 1262 CD2 LEU A 188 -13.854 -61.963 -36.223 1.00 51.53 C +ATOM 1263 N PRO A 189 -13.262 -66.352 -34.364 1.00 58.00 N +ATOM 1264 CA PRO A 189 -13.075 -67.795 -34.349 1.00 60.54 C +ATOM 1265 C PRO A 189 -11.860 -68.199 -35.194 1.00 58.45 C +ATOM 1266 O PRO A 189 -11.669 -67.699 -36.306 1.00 57.58 O +ATOM 1267 CB PRO A 189 -14.375 -68.397 -34.899 1.00 60.67 C +ATOM 1268 CG PRO A 189 -15.425 -67.331 -34.595 1.00 56.74 C +ATOM 1269 CD PRO A 189 -14.655 -66.026 -34.727 1.00 58.68 C +ATOM 1270 N GLY A 190 -11.084 -69.095 -34.662 1.00 58.71 N +ATOM 1271 CA GLY A 190 -9.975 -69.667 -35.417 1.00 59.11 C +ATOM 1272 C GLY A 190 -10.469 -70.268 -36.740 1.00 59.37 C +ATOM 1273 O GLY A 190 -11.536 -70.877 -36.789 1.00 57.68 O +ATOM 1274 N LYS A 191 -9.711 -70.059 -37.822 1.00 50.65 N +ATOM 1275 CA LYS A 191 -10.024 -70.704 -39.105 1.00 55.24 C +ATOM 1276 C LYS A 191 -9.828 -72.205 -38.967 1.00 54.36 C +ATOM 1277 O LYS A 191 -8.843 -72.626 -38.371 1.00 53.76 O +ATOM 1278 CB LYS A 191 -9.158 -70.143 -40.241 1.00 54.55 C +ATOM 1279 CG LYS A 191 -9.490 -68.684 -40.549 1.00 51.93 C +ATOM 1280 CD LYS A 191 -8.659 -68.155 -41.711 1.00 50.46 C +ATOM 1281 CE LYS A 191 -9.002 -66.689 -41.955 1.00 47.93 C +ATOM 1282 NZ LYS A 191 -8.197 -66.089 -43.045 1.00 43.02 N +ATOM 1283 N ASP A 192 -10.747 -72.968 -39.547 1.00 53.00 N +ATOM 1284 CA ASP A 192 -10.596 -74.411 -39.616 1.00 56.15 C +ATOM 1285 C ASP A 192 -9.203 -74.783 -40.150 1.00 54.21 C +ATOM 1286 O ASP A 192 -8.698 -74.174 -41.102 1.00 52.61 O +ATOM 1287 CB ASP A 192 -11.694 -75.040 -40.507 1.00 55.21 C +ATOM 1288 CG ASP A 192 -13.117 -74.971 -39.929 1.00 52.30 C +ATOM 1289 OD1 ASP A 192 -13.260 -74.891 -38.699 1.00 50.13 O +ATOM 1290 OD2 ASP A 192 -14.069 -75.071 -40.729 1.00 49.06 O +ATOM 1291 N GLY A 193 -8.574 -75.733 -39.511 1.00 54.44 N +ATOM 1292 CA GLY A 193 -7.272 -76.236 -39.935 1.00 54.96 C +ATOM 1293 C GLY A 193 -7.332 -76.715 -41.394 1.00 54.80 C +ATOM 1294 O GLY A 193 -8.271 -77.397 -41.790 1.00 52.80 O +ATOM 1295 N LYS A 194 -6.358 -76.321 -42.208 1.00 47.89 N +ATOM 1296 CA LYS A 194 -6.231 -76.873 -43.561 1.00 51.84 C +ATOM 1297 C LYS A 194 -5.801 -78.330 -43.463 1.00 50.96 C +ATOM 1298 O LYS A 194 -4.901 -78.638 -42.693 1.00 49.98 O +ATOM 1299 CB LYS A 194 -5.220 -76.081 -44.408 1.00 50.73 C +ATOM 1300 CG LYS A 194 -5.715 -74.678 -44.767 1.00 47.16 C +ATOM 1301 CD LYS A 194 -4.696 -73.997 -45.670 1.00 45.45 C +ATOM 1302 CE LYS A 194 -5.166 -72.593 -46.073 1.00 41.95 C +ATOM 1303 NZ LYS A 194 -4.181 -71.938 -46.961 1.00 38.51 N +ATOM 1304 N ASP A 195 -6.416 -79.165 -44.268 1.00 49.12 N +ATOM 1305 CA ASP A 195 -5.998 -80.563 -44.395 1.00 52.56 C +ATOM 1306 C ASP A 195 -4.481 -80.655 -44.609 1.00 50.81 C +ATOM 1307 O ASP A 195 -3.892 -79.927 -45.418 1.00 49.77 O +ATOM 1308 CB ASP A 195 -6.743 -81.245 -45.555 1.00 52.33 C +ATOM 1309 CG ASP A 195 -8.254 -81.379 -45.336 1.00 49.58 C +ATOM 1310 OD1 ASP A 195 -8.658 -81.510 -44.165 1.00 47.31 O +ATOM 1311 OD2 ASP A 195 -8.981 -81.339 -46.344 1.00 46.13 O +ATOM 1312 N GLY A 196 -3.862 -81.515 -43.849 1.00 48.49 N +ATOM 1313 CA GLY A 196 -2.418 -81.644 -43.817 1.00 49.43 C +ATOM 1314 C GLY A 196 -1.827 -81.996 -45.183 1.00 49.11 C +ATOM 1315 O GLY A 196 -1.939 -83.122 -45.649 1.00 47.58 O +ATOM 1316 N GLN A 197 -1.141 -81.050 -45.797 1.00 42.23 N +ATOM 1317 CA GLN A 197 -0.071 -81.350 -46.737 1.00 45.62 C +ATOM 1318 C GLN A 197 1.252 -81.041 -46.041 1.00 45.03 C +ATOM 1319 O GLN A 197 1.428 -79.962 -45.483 1.00 44.31 O +ATOM 1320 CB GLN A 197 -0.217 -80.568 -48.054 1.00 44.93 C +ATOM 1321 CG GLN A 197 -1.339 -81.128 -48.938 1.00 42.17 C +ATOM 1322 CD GLN A 197 -1.394 -80.504 -50.334 1.00 39.36 C +ATOM 1323 OE1 GLN A 197 -0.646 -79.624 -50.709 1.00 37.42 O +ATOM 1324 NE2 GLN A 197 -2.293 -80.952 -51.182 1.00 36.35 N +ATOM 1325 N ASN A 198 2.165 -82.003 -46.076 1.00 47.98 N +ATOM 1326 CA ASN A 198 3.504 -81.850 -45.524 1.00 52.06 C +ATOM 1327 C ASN A 198 4.171 -80.561 -46.021 1.00 49.91 C +ATOM 1328 O ASN A 198 4.383 -80.407 -47.226 1.00 48.88 O +ATOM 1329 CB ASN A 198 4.369 -83.060 -45.962 1.00 51.40 C +ATOM 1330 CG ASN A 198 4.091 -84.344 -45.216 1.00 47.85 C +ATOM 1331 OD1 ASN A 198 3.584 -84.355 -44.111 1.00 45.61 O +ATOM 1332 ND2 ASN A 198 4.437 -85.484 -45.767 1.00 43.34 N +ATOM 1333 N GLY A 199 4.607 -79.648 -45.091 1.00 43.30 N +ATOM 1334 CA GLY A 199 5.725 -78.759 -45.383 1.00 44.82 C +ATOM 1335 C GLY A 199 5.683 -77.376 -44.754 1.00 43.77 C +ATOM 1336 O GLY A 199 4.931 -76.516 -45.190 1.00 42.69 O +ATOM 1337 N LYS A 200 6.658 -77.150 -43.896 1.00 42.09 N +ATOM 1338 CA LYS A 200 7.238 -75.895 -43.384 1.00 47.14 C +ATOM 1339 C LYS A 200 6.362 -75.091 -42.426 1.00 45.09 C +ATOM 1340 O LYS A 200 5.293 -74.614 -42.772 1.00 45.36 O +ATOM 1341 CB LYS A 200 7.791 -75.019 -44.527 1.00 47.78 C +ATOM 1342 CG LYS A 200 8.830 -75.754 -45.381 1.00 45.47 C +ATOM 1343 CD LYS A 200 9.405 -74.841 -46.456 1.00 43.47 C +ATOM 1344 CE LYS A 200 10.419 -75.624 -47.304 1.00 40.29 C +ATOM 1345 NZ LYS A 200 11.022 -74.779 -48.370 1.00 36.54 N +ATOM 1346 N ASP A 201 6.919 -74.893 -41.230 1.00 47.03 N +ATOM 1347 CA ASP A 201 6.362 -74.075 -40.160 1.00 51.16 C +ATOM 1348 C ASP A 201 5.942 -72.692 -40.677 1.00 48.94 C +ATOM 1349 O ASP A 201 6.688 -72.013 -41.391 1.00 47.78 O +ATOM 1350 CB ASP A 201 7.397 -73.937 -39.028 1.00 50.78 C +ATOM 1351 CG ASP A 201 7.828 -75.287 -38.470 1.00 47.95 C +ATOM 1352 OD1 ASP A 201 6.953 -76.170 -38.356 1.00 45.29 O +ATOM 1353 OD2 ASP A 201 9.049 -75.458 -38.252 1.00 43.35 O +ATOM 1354 N GLY A 202 4.701 -72.287 -40.357 1.00 45.56 N +ATOM 1355 CA GLY A 202 4.188 -70.959 -40.661 1.00 47.31 C +ATOM 1356 C GLY A 202 4.934 -69.885 -39.856 1.00 46.67 C +ATOM 1357 O GLY A 202 5.177 -70.055 -38.670 1.00 45.34 O +ATOM 1358 N LEU A 203 5.281 -68.766 -40.521 1.00 41.24 N +ATOM 1359 CA LEU A 203 5.876 -67.609 -39.837 1.00 47.27 C +ATOM 1360 C LEU A 203 4.899 -67.054 -38.783 1.00 46.01 C +ATOM 1361 O LEU A 203 3.698 -67.031 -39.045 1.00 46.91 O +ATOM 1362 CB LEU A 203 6.242 -66.526 -40.866 1.00 47.59 C +ATOM 1363 CG LEU A 203 7.399 -66.896 -41.813 1.00 43.32 C +ATOM 1364 CD1 LEU A 203 7.491 -65.877 -42.951 1.00 41.01 C +ATOM 1365 CD2 LEU A 203 8.744 -66.920 -41.091 1.00 39.37 C +ATOM 1366 N PRO A 204 5.392 -66.535 -37.639 1.00 46.93 N +ATOM 1367 CA PRO A 204 4.559 -65.872 -36.636 1.00 52.34 C +ATOM 1368 C PRO A 204 3.685 -64.774 -37.260 1.00 50.89 C +ATOM 1369 O PRO A 204 4.127 -64.044 -38.156 1.00 51.62 O +ATOM 1370 CB PRO A 204 5.521 -65.291 -35.591 1.00 52.94 C +ATOM 1371 CG PRO A 204 6.762 -66.170 -35.712 1.00 49.40 C +ATOM 1372 CD PRO A 204 6.802 -66.538 -37.178 1.00 49.98 C +ATOM 1373 N GLY A 205 2.447 -64.649 -36.800 1.00 46.14 N +ATOM 1374 CA GLY A 205 1.551 -63.554 -37.186 1.00 49.11 C +ATOM 1375 C GLY A 205 2.166 -62.195 -36.837 1.00 49.18 C +ATOM 1376 O GLY A 205 2.829 -62.059 -35.814 1.00 48.26 O +ATOM 1377 N LYS A 206 1.981 -61.174 -37.706 1.00 44.38 N +ATOM 1378 CA LYS A 206 2.472 -59.820 -37.424 1.00 50.70 C +ATOM 1379 C LYS A 206 1.680 -59.221 -36.259 1.00 48.87 C +ATOM 1380 O LYS A 206 0.456 -59.280 -36.284 1.00 49.10 O +ATOM 1381 CB LYS A 206 2.351 -58.910 -38.659 1.00 51.16 C +ATOM 1382 CG LYS A 206 3.299 -59.325 -39.793 1.00 48.39 C +ATOM 1383 CD LYS A 206 3.177 -58.353 -40.972 1.00 45.46 C +ATOM 1384 CE LYS A 206 4.128 -58.776 -42.092 1.00 42.73 C +ATOM 1385 NZ LYS A 206 4.039 -57.871 -43.261 1.00 38.58 N +ATOM 1386 N ASP A 207 2.381 -58.582 -35.321 1.00 48.43 N +ATOM 1387 CA ASP A 207 1.781 -57.839 -34.215 1.00 53.37 C +ATOM 1388 C ASP A 207 0.788 -56.786 -34.740 1.00 50.44 C +ATOM 1389 O ASP A 207 0.974 -56.184 -35.812 1.00 48.91 O +ATOM 1390 CB ASP A 207 2.879 -57.201 -33.354 1.00 52.64 C +ATOM 1391 CG ASP A 207 3.820 -58.231 -32.732 1.00 49.68 C +ATOM 1392 OD1 ASP A 207 3.335 -59.336 -32.392 1.00 47.00 O +ATOM 1393 OD2 ASP A 207 5.040 -57.953 -32.672 1.00 44.34 O +ATOM 1394 N GLY A 208 -0.300 -56.583 -33.999 1.00 46.60 N +ATOM 1395 CA GLY A 208 -1.272 -55.526 -34.269 1.00 48.79 C +ATOM 1396 C GLY A 208 -0.601 -54.143 -34.200 1.00 48.32 C +ATOM 1397 O GLY A 208 0.308 -53.930 -33.416 1.00 47.38 O +ATOM 1398 N LYS A 209 -1.052 -53.175 -35.041 1.00 46.36 N +ATOM 1399 CA LYS A 209 -0.511 -51.807 -35.001 1.00 52.43 C +ATOM 1400 C LYS A 209 -0.899 -51.139 -33.675 1.00 50.25 C +ATOM 1401 O LYS A 209 -2.082 -51.109 -33.345 1.00 50.37 O +ATOM 1402 CB LYS A 209 -1.021 -50.969 -36.178 1.00 52.80 C +ATOM 1403 CG LYS A 209 -0.460 -51.412 -37.532 1.00 49.71 C +ATOM 1404 CD LYS A 209 -0.992 -50.478 -38.628 1.00 46.83 C +ATOM 1405 CE LYS A 209 -0.445 -50.869 -39.999 1.00 43.78 C +ATOM 1406 NZ LYS A 209 -0.978 -49.977 -41.058 1.00 39.69 N +ATOM 1407 N ASP A 210 0.077 -50.529 -32.997 1.00 48.51 N +ATOM 1408 CA ASP A 210 -0.159 -49.721 -31.810 1.00 52.87 C +ATOM 1409 C ASP A 210 -1.153 -48.578 -32.096 1.00 50.43 C +ATOM 1410 O ASP A 210 -1.125 -47.943 -33.156 1.00 49.21 O +ATOM 1411 CB ASP A 210 1.173 -49.154 -31.271 1.00 52.29 C +ATOM 1412 CG ASP A 210 2.150 -50.236 -30.819 1.00 49.43 C +ATOM 1413 OD1 ASP A 210 1.671 -51.286 -30.344 1.00 46.93 O +ATOM 1414 OD2 ASP A 210 3.371 -50.009 -30.990 1.00 44.55 O +ATOM 1415 N GLY A 211 -2.053 -48.317 -31.154 1.00 48.66 N +ATOM 1416 CA GLY A 211 -2.935 -47.154 -31.195 1.00 50.63 C +ATOM 1417 C GLY A 211 -2.127 -45.849 -31.124 1.00 50.71 C +ATOM 1418 O GLY A 211 -1.112 -45.774 -30.444 1.00 49.28 O +ATOM 1419 N GLN A 212 -2.574 -44.796 -31.852 1.00 45.13 N +ATOM 1420 CA GLN A 212 -1.896 -43.498 -31.811 1.00 50.82 C +ATOM 1421 C GLN A 212 -1.999 -42.868 -30.418 1.00 50.22 C +ATOM 1422 O GLN A 212 -3.104 -42.731 -29.887 1.00 49.60 O +ATOM 1423 CB GLN A 212 -2.473 -42.544 -32.876 1.00 50.95 C +ATOM 1424 CG GLN A 212 -2.116 -42.970 -34.309 1.00 47.86 C +ATOM 1425 CD GLN A 212 -2.661 -42.017 -35.379 1.00 43.64 C +ATOM 1426 OE1 GLN A 212 -3.432 -41.102 -35.149 1.00 42.25 O +ATOM 1427 NE2 GLN A 212 -2.283 -42.196 -36.619 1.00 40.29 N +ATOM 1428 N ASN A 213 -0.868 -42.437 -29.843 1.00 51.08 N +ATOM 1429 CA ASN A 213 -0.821 -41.739 -28.559 1.00 55.89 C +ATOM 1430 C ASN A 213 -1.616 -40.425 -28.615 1.00 53.11 C +ATOM 1431 O ASN A 213 -1.452 -39.619 -29.530 1.00 51.87 O +ATOM 1432 CB ASN A 213 0.650 -41.487 -28.169 1.00 54.90 C +ATOM 1433 CG ASN A 213 1.425 -42.747 -27.825 1.00 51.47 C +ATOM 1434 OD1 ASN A 213 0.872 -43.797 -27.542 1.00 49.74 O +ATOM 1435 ND2 ASN A 213 2.733 -42.697 -27.823 1.00 46.96 N +ATOM 1436 N GLY A 214 -2.468 -40.185 -27.627 1.00 49.70 N +ATOM 1437 CA GLY A 214 -3.058 -38.866 -27.367 1.00 51.63 C +ATOM 1438 C GLY A 214 -1.991 -37.867 -26.896 1.00 51.35 C +ATOM 1439 O GLY A 214 -1.018 -38.252 -26.263 1.00 50.15 O +ATOM 1440 N LYS A 215 -2.171 -36.574 -27.245 1.00 45.78 N +ATOM 1441 CA LYS A 215 -1.220 -35.516 -26.844 1.00 52.03 C +ATOM 1442 C LYS A 215 -1.249 -35.295 -25.320 1.00 50.37 C +ATOM 1443 O LYS A 215 -2.327 -35.194 -24.744 1.00 50.57 O +ATOM 1444 CB LYS A 215 -1.534 -34.200 -27.565 1.00 53.02 C +ATOM 1445 CG LYS A 215 -1.277 -34.268 -29.076 1.00 50.95 C +ATOM 1446 CD LYS A 215 -1.602 -32.914 -29.732 1.00 48.45 C +ATOM 1447 CE LYS A 215 -1.345 -32.976 -31.229 1.00 45.96 C +ATOM 1448 NZ LYS A 215 -1.710 -31.709 -31.896 1.00 40.86 N +ATOM 1449 N ASP A 216 -0.072 -35.127 -24.716 1.00 50.92 N +ATOM 1450 CA ASP A 216 0.117 -34.903 -23.286 1.00 54.87 C +ATOM 1451 C ASP A 216 -0.546 -33.607 -22.787 1.00 52.51 C +ATOM 1452 O ASP A 216 -0.359 -32.522 -23.345 1.00 51.40 O +ATOM 1453 CB ASP A 216 1.623 -34.868 -22.958 1.00 54.90 C +ATOM 1454 CG ASP A 216 2.354 -36.170 -23.281 1.00 53.47 C +ATOM 1455 OD1 ASP A 216 1.736 -37.239 -23.111 1.00 51.10 O +ATOM 1456 OD2 ASP A 216 3.516 -36.074 -23.727 1.00 49.40 O +ATOM 1457 N GLY A 217 -1.277 -33.710 -21.680 1.00 52.15 N +ATOM 1458 CA GLY A 217 -1.685 -32.587 -20.830 1.00 53.51 C +ATOM 1459 C GLY A 217 -1.029 -32.716 -19.441 1.00 53.59 C +ATOM 1460 O GLY A 217 -0.865 -33.821 -18.937 1.00 51.65 O +ATOM 1461 N LEU A 218 -0.587 -31.598 -18.870 1.00 49.72 N +ATOM 1462 CA LEU A 218 0.211 -31.528 -17.634 1.00 53.97 C +ATOM 1463 C LEU A 218 -0.520 -32.062 -16.368 1.00 52.80 C +ATOM 1464 O LEU A 218 -1.749 -32.033 -16.313 1.00 52.49 O +ATOM 1465 CB LEU A 218 0.654 -30.065 -17.442 1.00 53.65 C +ATOM 1466 CG LEU A 218 1.729 -29.586 -18.436 1.00 50.62 C +ATOM 1467 CD1 LEU A 218 1.847 -28.058 -18.380 1.00 49.11 C +ATOM 1468 CD2 LEU A 218 3.106 -30.165 -18.125 1.00 47.85 C +ATOM 1469 N PRO A 219 0.226 -32.525 -15.329 1.00 52.84 N +ATOM 1470 CA PRO A 219 -0.249 -33.537 -14.386 1.00 55.24 C +ATOM 1471 C PRO A 219 -1.160 -33.005 -13.270 1.00 52.76 C +ATOM 1472 O PRO A 219 -0.767 -32.207 -12.421 1.00 52.63 O +ATOM 1473 CB PRO A 219 1.025 -34.195 -13.837 1.00 55.89 C +ATOM 1474 CG PRO A 219 2.050 -33.066 -13.869 1.00 53.93 C +ATOM 1475 CD PRO A 219 1.655 -32.262 -15.097 1.00 55.47 C +ATOM 1476 N GLY A 220 -2.351 -33.524 -13.202 1.00 52.62 N +ATOM 1477 CA GLY A 220 -3.100 -33.735 -11.961 1.00 53.74 C +ATOM 1478 C GLY A 220 -3.133 -35.240 -11.656 1.00 53.78 C +ATOM 1479 O GLY A 220 -2.887 -36.029 -12.553 1.00 52.16 O +ATOM 1480 N LYS A 221 -3.395 -35.602 -10.379 1.00 54.97 N +ATOM 1481 CA LYS A 221 -3.290 -37.005 -9.920 1.00 59.62 C +ATOM 1482 C LYS A 221 -3.948 -37.974 -10.907 1.00 59.15 C +ATOM 1483 O LYS A 221 -5.105 -37.769 -11.274 1.00 57.53 O +ATOM 1484 CB LYS A 221 -3.963 -37.177 -8.546 1.00 58.28 C +ATOM 1485 CG LYS A 221 -3.226 -36.459 -7.416 1.00 54.41 C +ATOM 1486 CD LYS A 221 -3.942 -36.693 -6.081 1.00 52.75 C +ATOM 1487 CE LYS A 221 -3.181 -36.020 -4.931 1.00 49.32 C +ATOM 1488 NZ LYS A 221 -3.821 -36.290 -3.625 1.00 44.55 N +ATOM 1489 N ASP A 222 -3.216 -39.012 -11.235 1.00 57.91 N +ATOM 1490 CA ASP A 222 -3.645 -40.035 -12.181 1.00 60.77 C +ATOM 1491 C ASP A 222 -5.038 -40.576 -11.819 1.00 59.40 C +ATOM 1492 O ASP A 222 -5.321 -40.894 -10.654 1.00 56.75 O +ATOM 1493 CB ASP A 222 -2.602 -41.159 -12.244 1.00 59.00 C +ATOM 1494 CG ASP A 222 -1.212 -40.653 -12.653 1.00 55.58 C +ATOM 1495 OD1 ASP A 222 -1.172 -39.682 -13.447 1.00 53.59 O +ATOM 1496 OD2 ASP A 222 -0.223 -41.162 -12.095 1.00 52.61 O +ATOM 1497 N GLY A 223 -5.919 -40.621 -12.799 1.00 58.64 N +ATOM 1498 CA GLY A 223 -7.136 -41.418 -12.682 1.00 59.69 C +ATOM 1499 C GLY A 223 -6.765 -42.891 -12.473 1.00 60.13 C +ATOM 1500 O GLY A 223 -5.709 -43.328 -12.924 1.00 58.14 O +ATOM 1501 N LYS A 224 -7.607 -43.601 -11.752 1.00 58.87 N +ATOM 1502 CA LYS A 224 -7.338 -45.036 -11.569 1.00 63.34 C +ATOM 1503 C LYS A 224 -7.272 -45.712 -12.936 1.00 63.78 C +ATOM 1504 O LYS A 224 -8.111 -45.430 -13.793 1.00 61.96 O +ATOM 1505 CB LYS A 224 -8.419 -45.701 -10.707 1.00 61.18 C +ATOM 1506 CG LYS A 224 -8.388 -45.229 -9.249 1.00 56.51 C +ATOM 1507 CD LYS A 224 -9.461 -45.968 -8.439 1.00 54.70 C +ATOM 1508 CE LYS A 224 -9.450 -45.526 -6.977 1.00 50.64 C +ATOM 1509 NZ LYS A 224 -10.496 -46.229 -6.191 1.00 45.63 N +ATOM 1510 N ASP A 225 -6.312 -46.602 -13.088 1.00 64.02 N +ATOM 1511 CA ASP A 225 -6.220 -47.433 -14.287 1.00 66.87 C +ATOM 1512 C ASP A 225 -7.553 -48.128 -14.556 1.00 66.31 C +ATOM 1513 O ASP A 225 -8.201 -48.642 -13.632 1.00 63.46 O +ATOM 1514 CB ASP A 225 -5.089 -48.460 -14.138 1.00 64.78 C +ATOM 1515 CG ASP A 225 -3.692 -47.833 -14.058 1.00 61.62 C +ATOM 1516 OD1 ASP A 225 -3.509 -46.767 -14.684 1.00 59.14 O +ATOM 1517 OD2 ASP A 225 -2.840 -48.438 -13.384 1.00 57.77 O +ATOM 1518 N GLY A 226 -7.967 -48.125 -15.812 1.00 64.18 N +ATOM 1519 CA GLY A 226 -9.096 -48.944 -16.234 1.00 64.84 C +ATOM 1520 C GLY A 226 -8.813 -50.428 -15.957 1.00 65.83 C +ATOM 1521 O GLY A 226 -7.671 -50.872 -16.086 1.00 64.09 O +ATOM 1522 N GLN A 227 -9.841 -51.132 -15.553 1.00 62.54 N +ATOM 1523 CA GLN A 227 -9.670 -52.575 -15.361 1.00 66.21 C +ATOM 1524 C GLN A 227 -9.296 -53.232 -16.687 1.00 66.72 C +ATOM 1525 O GLN A 227 -9.811 -52.868 -17.745 1.00 64.71 O +ATOM 1526 CB GLN A 227 -10.943 -53.211 -14.776 1.00 64.39 C +ATOM 1527 CG GLN A 227 -11.180 -52.777 -13.321 1.00 60.46 C +ATOM 1528 CD GLN A 227 -12.381 -53.452 -12.663 1.00 56.76 C +ATOM 1529 OE1 GLN A 227 -13.178 -54.153 -13.256 1.00 54.72 O +ATOM 1530 NE2 GLN A 227 -12.567 -53.265 -11.374 1.00 50.67 N +ATOM 1531 N ASP A 228 -8.417 -54.201 -16.593 1.00 69.38 N +ATOM 1532 CA ASP A 228 -8.042 -55.000 -17.752 1.00 71.86 C +ATOM 1533 C ASP A 228 -9.277 -55.633 -18.392 1.00 71.33 C +ATOM 1534 O ASP A 228 -10.151 -56.175 -17.707 1.00 67.98 O +ATOM 1535 CB ASP A 228 -7.036 -56.082 -17.332 1.00 69.41 C +ATOM 1536 CG ASP A 228 -5.668 -55.519 -16.979 1.00 66.20 C +ATOM 1537 OD1 ASP A 228 -5.360 -54.387 -17.429 1.00 63.58 O +ATOM 1538 OD2 ASP A 228 -4.863 -56.247 -16.377 1.00 62.07 O +ATOM 1539 N GLY A 229 -9.340 -55.572 -19.710 1.00 69.71 N +ATOM 1540 CA GLY A 229 -10.343 -56.338 -20.444 1.00 70.36 C +ATOM 1541 C GLY A 229 -10.200 -57.834 -20.149 1.00 70.53 C +ATOM 1542 O GLY A 229 -9.090 -58.337 -19.975 1.00 68.27 O +ATOM 1543 N LYS A 230 -11.335 -58.505 -20.076 1.00 66.17 N +ATOM 1544 CA LYS A 230 -11.304 -59.958 -19.876 1.00 71.14 C +ATOM 1545 C LYS A 230 -10.591 -60.628 -21.049 1.00 71.45 C +ATOM 1546 O LYS A 230 -10.787 -60.231 -22.201 1.00 70.15 O +ATOM 1547 CB LYS A 230 -12.717 -60.533 -19.715 1.00 68.51 C +ATOM 1548 CG LYS A 230 -13.389 -60.044 -18.418 1.00 64.40 C +ATOM 1549 CD LYS A 230 -14.790 -60.650 -18.282 1.00 62.54 C +ATOM 1550 CE LYS A 230 -15.457 -60.128 -17.011 1.00 57.87 C +ATOM 1551 NZ LYS A 230 -16.839 -60.645 -16.871 1.00 51.94 N +ATOM 1552 N ASP A 231 -9.824 -61.654 -20.744 1.00 71.20 N +ATOM 1553 CA ASP A 231 -9.203 -62.479 -21.771 1.00 73.17 C +ATOM 1554 C ASP A 231 -10.257 -63.030 -22.734 1.00 72.22 C +ATOM 1555 O ASP A 231 -11.354 -63.436 -22.326 1.00 67.67 O +ATOM 1556 CB ASP A 231 -8.406 -63.634 -21.137 1.00 70.29 C +ATOM 1557 CG ASP A 231 -7.194 -63.171 -20.325 1.00 67.46 C +ATOM 1558 OD1 ASP A 231 -6.651 -62.086 -20.648 1.00 64.41 O +ATOM 1559 OD2 ASP A 231 -6.830 -63.906 -19.393 1.00 62.43 O +ATOM 1560 N GLY A 232 -9.931 -63.020 -24.008 1.00 72.28 N +ATOM 1561 CA GLY A 232 -10.770 -63.661 -25.014 1.00 72.62 C +ATOM 1562 C GLY A 232 -10.933 -65.161 -24.741 1.00 72.35 C +ATOM 1563 O GLY A 232 -10.020 -65.808 -24.229 1.00 69.79 O +ATOM 1564 N LEU A 233 -12.086 -65.677 -25.076 1.00 67.01 N +ATOM 1565 CA LEU A 233 -12.318 -67.112 -24.920 1.00 70.57 C +ATOM 1566 C LEU A 233 -11.317 -67.916 -25.770 1.00 70.20 C +ATOM 1567 O LEU A 233 -10.994 -67.494 -26.887 1.00 68.87 O +ATOM 1568 CB LEU A 233 -13.772 -67.464 -25.291 1.00 68.77 C +ATOM 1569 CG LEU A 233 -14.841 -66.893 -24.339 1.00 65.43 C +ATOM 1570 CD1 LEU A 233 -16.232 -67.172 -24.896 1.00 62.26 C +ATOM 1571 CD2 LEU A 233 -14.766 -67.510 -22.936 1.00 60.83 C +ATOM 1572 N PRO A 234 -10.880 -69.050 -25.282 1.00 70.80 N +ATOM 1573 CA PRO A 234 -10.045 -69.940 -26.075 1.00 73.52 C +ATOM 1574 C PRO A 234 -10.694 -70.279 -27.424 1.00 72.56 C +ATOM 1575 O PRO A 234 -11.907 -70.499 -27.506 1.00 69.75 O +ATOM 1576 CB PRO A 234 -9.841 -71.204 -25.225 1.00 72.18 C +ATOM 1577 CG PRO A 234 -10.032 -70.697 -23.791 1.00 69.01 C +ATOM 1578 CD PRO A 234 -11.072 -69.600 -23.942 1.00 71.61 C +ATOM 1579 N GLY A 235 -9.897 -70.326 -28.475 1.00 72.84 N +ATOM 1580 CA GLY A 235 -10.354 -70.830 -29.769 1.00 73.62 C +ATOM 1581 C GLY A 235 -10.813 -72.288 -29.659 1.00 73.25 C +ATOM 1582 O GLY A 235 -10.296 -73.050 -28.845 1.00 71.03 O +ATOM 1583 N LYS A 236 -11.785 -72.648 -30.482 1.00 70.95 N +ATOM 1584 CA LYS A 236 -12.229 -74.053 -30.528 1.00 74.64 C +ATOM 1585 C LYS A 236 -11.097 -74.931 -31.066 1.00 74.48 C +ATOM 1586 O LYS A 236 -10.405 -74.529 -31.999 1.00 72.30 O +ATOM 1587 CB LYS A 236 -13.493 -74.205 -31.394 1.00 71.23 C +ATOM 1588 CG LYS A 236 -14.703 -73.494 -30.769 1.00 66.98 C +ATOM 1589 CD LYS A 236 -15.945 -73.704 -31.638 1.00 64.21 C +ATOM 1590 CE LYS A 236 -17.137 -72.960 -31.018 1.00 59.66 C +ATOM 1591 NZ LYS A 236 -18.358 -73.078 -31.850 1.00 52.99 N +ATOM 1592 N ASP A 237 -10.989 -76.102 -30.495 1.00 71.44 N +ATOM 1593 CA ASP A 237 -10.043 -77.090 -30.992 1.00 73.89 C +ATOM 1594 C ASP A 237 -10.286 -77.381 -32.476 1.00 72.61 C +ATOM 1595 O ASP A 237 -11.427 -77.449 -32.948 1.00 68.03 O +ATOM 1596 CB ASP A 237 -10.128 -78.380 -30.164 1.00 70.81 C +ATOM 1597 CG ASP A 237 -9.725 -78.193 -28.702 1.00 67.25 C +ATOM 1598 OD1 ASP A 237 -8.877 -77.308 -28.432 1.00 63.77 O +ATOM 1599 OD2 ASP A 237 -10.283 -78.925 -27.861 1.00 61.94 O +ATOM 1600 N GLY A 238 -9.205 -77.545 -33.230 1.00 73.60 N +ATOM 1601 CA GLY A 238 -9.273 -77.977 -34.620 1.00 73.28 C +ATOM 1602 C GLY A 238 -9.886 -79.376 -34.743 1.00 72.54 C +ATOM 1603 O GLY A 238 -9.736 -80.211 -33.856 1.00 69.73 O +ATOM 1604 N LYS A 239 -10.584 -79.600 -35.864 1.00 71.57 N +ATOM 1605 CA LYS A 239 -11.115 -80.943 -36.129 1.00 74.91 C +ATOM 1606 C LYS A 239 -9.969 -81.920 -36.333 1.00 74.87 C +ATOM 1607 O LYS A 239 -8.951 -81.570 -36.930 1.00 72.77 O +ATOM 1608 CB LYS A 239 -12.042 -80.941 -37.356 1.00 71.28 C +ATOM 1609 CG LYS A 239 -13.341 -80.155 -37.110 1.00 66.18 C +ATOM 1610 CD LYS A 239 -14.177 -80.103 -38.382 1.00 63.77 C +ATOM 1611 CE LYS A 239 -15.407 -79.227 -38.166 1.00 59.04 C +ATOM 1612 NZ LYS A 239 -15.977 -78.755 -39.446 1.00 52.73 N +ATOM 1613 N ASP A 240 -10.177 -83.117 -35.843 1.00 72.52 N +ATOM 1614 CA ASP A 240 -9.218 -84.191 -36.072 1.00 74.55 C +ATOM 1615 C ASP A 240 -8.922 -84.361 -37.565 1.00 73.20 C +ATOM 1616 O ASP A 240 -9.817 -84.294 -38.410 1.00 68.22 O +ATOM 1617 CB ASP A 240 -9.746 -85.505 -35.482 1.00 71.36 C +ATOM 1618 CG ASP A 240 -9.862 -85.503 -33.967 1.00 67.96 C +ATOM 1619 OD1 ASP A 240 -9.107 -84.741 -33.321 1.00 64.81 O +ATOM 1620 OD2 ASP A 240 -10.692 -86.283 -33.459 1.00 62.46 O +ATOM 1621 N GLY A 241 -7.664 -84.587 -37.881 1.00 72.55 N +ATOM 1622 CA GLY A 241 -7.253 -84.917 -39.241 1.00 72.02 C +ATOM 1623 C GLY A 241 -7.897 -86.212 -39.734 1.00 71.35 C +ATOM 1624 O GLY A 241 -8.143 -87.134 -38.957 1.00 68.32 O +ATOM 1625 N LEU A 242 -8.150 -86.294 -41.047 1.00 66.94 N +ATOM 1626 CA LEU A 242 -8.687 -87.523 -41.630 1.00 70.37 C +ATOM 1627 C LEU A 242 -7.666 -88.672 -41.483 1.00 69.64 C +ATOM 1628 O LEU A 242 -6.460 -88.433 -41.586 1.00 67.56 O +ATOM 1629 CB LEU A 242 -9.050 -87.305 -43.108 1.00 68.10 C +ATOM 1630 CG LEU A 242 -10.244 -86.345 -43.344 1.00 63.74 C +ATOM 1631 CD1 LEU A 242 -10.398 -86.080 -44.835 1.00 60.56 C +ATOM 1632 CD2 LEU A 242 -11.553 -86.909 -42.811 1.00 59.51 C +ATOM 1633 N PRO A 243 -8.134 -89.885 -41.280 1.00 68.32 N +ATOM 1634 CA PRO A 243 -7.243 -91.036 -41.234 1.00 70.83 C +ATOM 1635 C PRO A 243 -6.361 -91.119 -42.487 1.00 68.75 C +ATOM 1636 O PRO A 243 -6.833 -90.910 -43.608 1.00 65.38 O +ATOM 1637 CB PRO A 243 -8.150 -92.265 -41.105 1.00 69.42 C +ATOM 1638 CG PRO A 243 -9.421 -91.713 -40.462 1.00 65.12 C +ATOM 1639 CD PRO A 243 -9.516 -90.305 -41.020 1.00 66.61 C +ATOM 1640 N GLY A 244 -5.117 -91.447 -42.292 1.00 70.41 N +ATOM 1641 CA GLY A 244 -4.209 -91.723 -43.402 1.00 70.34 C +ATOM 1642 C GLY A 244 -4.708 -92.884 -44.267 1.00 69.47 C +ATOM 1643 O GLY A 244 -5.365 -93.800 -43.778 1.00 67.28 O +ATOM 1644 N LYS A 245 -4.394 -92.857 -45.572 1.00 66.95 N +ATOM 1645 CA LYS A 245 -4.738 -93.961 -46.484 1.00 70.92 C +ATOM 1646 C LYS A 245 -3.919 -95.200 -46.119 1.00 71.05 C +ATOM 1647 O LYS A 245 -2.737 -95.082 -45.821 1.00 68.42 O +ATOM 1648 CB LYS A 245 -4.504 -93.579 -47.948 1.00 67.01 C +ATOM 1649 CG LYS A 245 -5.451 -92.464 -48.403 1.00 61.80 C +ATOM 1650 CD LYS A 245 -5.247 -92.126 -49.879 1.00 58.80 C +ATOM 1651 CE LYS A 245 -6.197 -90.988 -50.280 1.00 55.33 C +ATOM 1652 NZ LYS A 245 -6.030 -90.586 -51.692 1.00 49.20 N +ATOM 1653 N ASP A 246 -4.561 -96.339 -46.210 1.00 66.44 N +ATOM 1654 CA ASP A 246 -3.871 -97.605 -45.983 1.00 69.15 C +ATOM 1655 C ASP A 246 -2.646 -97.737 -46.905 1.00 66.43 C +ATOM 1656 O ASP A 246 -2.667 -97.347 -48.082 1.00 62.08 O +ATOM 1657 CB ASP A 246 -4.841 -98.788 -46.171 1.00 66.42 C +ATOM 1658 CG ASP A 246 -6.001 -98.811 -45.162 1.00 62.20 C +ATOM 1659 OD1 ASP A 246 -5.827 -98.303 -44.028 1.00 59.41 O +ATOM 1660 OD2 ASP A 246 -7.077 -99.316 -45.527 1.00 57.68 O +ATOM 1661 N GLY A 247 -1.578 -98.287 -46.369 1.00 69.32 N +ATOM 1662 CA GLY A 247 -0.370 -98.580 -47.141 1.00 68.89 C +ATOM 1663 C GLY A 247 -0.654 -99.570 -48.272 1.00 68.12 C +ATOM 1664 O GLY A 247 -1.535-100.423 -48.167 1.00 65.78 O +ATOM 1665 N LYS A 248 0.094 -99.444 -49.370 1.00 65.38 N +ATOM 1666 CA LYS A 248 -0.035-100.404 -50.482 1.00 69.22 C +ATOM 1667 C LYS A 248 0.439-101.791 -50.040 1.00 68.37 C +ATOM 1668 O LYS A 248 1.470-101.897 -49.378 1.00 65.84 O +ATOM 1669 CB LYS A 248 0.769 -99.952 -51.706 1.00 65.64 C +ATOM 1670 CG LYS A 248 0.218 -98.676 -52.342 1.00 60.23 C +ATOM 1671 CD LYS A 248 1.041 -98.313 -53.585 1.00 57.44 C +ATOM 1672 CE LYS A 248 0.513 -97.029 -54.234 1.00 54.24 C +ATOM 1673 NZ LYS A 248 1.318 -96.659 -55.418 1.00 48.63 N +ATOM 1674 N ASP A 249 -0.283-102.780 -50.470 1.00 66.00 N +ATOM 1675 CA ASP A 249 0.105-104.167 -50.208 1.00 68.58 C +ATOM 1676 C ASP A 249 1.552-104.436 -50.637 1.00 65.70 C +ATOM 1677 O ASP A 249 2.029-103.982 -51.682 1.00 61.55 O +ATOM 1678 CB ASP A 249 -0.844-105.143 -50.928 1.00 65.89 C +ATOM 1679 CG ASP A 249 -2.289-105.057 -50.448 1.00 61.50 C +ATOM 1680 OD1 ASP A 249 -2.498-104.682 -49.273 1.00 58.55 O +ATOM 1681 OD2 ASP A 249 -3.183-105.351 -51.275 1.00 56.75 O +ATOM 1682 N GLY A 250 2.253-105.221 -49.822 1.00 68.88 N +ATOM 1683 CA GLY A 250 3.606-105.669 -50.122 1.00 68.23 C +ATOM 1684 C GLY A 250 3.652-106.530 -51.391 1.00 67.90 C +ATOM 1685 O GLY A 250 2.748-107.311 -51.670 1.00 65.39 O +ATOM 1686 N GLN A 251 4.729-106.417 -52.181 1.00 64.60 N +ATOM 1687 CA GLN A 251 4.900-107.260 -53.365 1.00 67.70 C +ATOM 1688 C GLN A 251 5.064-108.736 -52.972 1.00 66.44 C +ATOM 1689 O GLN A 251 5.774-109.027 -52.004 1.00 64.31 O +ATOM 1690 CB GLN A 251 6.104-106.809 -54.206 1.00 65.30 C +ATOM 1691 CG GLN A 251 5.853-105.462 -54.910 1.00 60.54 C +ATOM 1692 CD GLN A 251 6.965-105.067 -55.870 1.00 56.58 C +ATOM 1693 OE1 GLN A 251 8.007-105.683 -55.988 1.00 55.46 O +ATOM 1694 NE2 GLN A 251 6.781-103.990 -56.618 1.00 51.16 N +ATOM 1695 N PRO A 252 4.465-109.644 -53.712 1.00 66.41 N +ATOM 1696 CA PRO A 252 4.614-111.070 -53.435 1.00 68.75 C +ATOM 1697 C PRO A 252 6.087-111.496 -53.418 1.00 66.33 C +ATOM 1698 O PRO A 252 6.878-111.085 -54.268 1.00 63.38 O +ATOM 1699 CB PRO A 252 3.837-111.804 -54.532 1.00 67.42 C +ATOM 1700 CG PRO A 252 2.813-110.772 -55.002 1.00 62.15 C +ATOM 1701 CD PRO A 252 3.525-109.444 -54.823 1.00 63.31 C +ATOM 1702 N GLY A 253 6.422-112.349 -52.489 1.00 71.12 N +ATOM 1703 CA GLY A 253 7.756-112.931 -52.403 1.00 71.14 C +ATOM 1704 C GLY A 253 8.129-113.710 -53.682 1.00 70.47 C +ATOM 1705 O GLY A 253 7.293-114.398 -54.266 1.00 68.09 O +ATOM 1706 N LYS A 254 9.390-113.643 -54.121 1.00 63.38 N +ATOM 1707 CA LYS A 254 9.876-114.414 -55.288 1.00 68.83 C +ATOM 1708 C LYS A 254 9.818-115.913 -54.976 1.00 66.53 C +ATOM 1709 O LYS A 254 10.222-116.310 -53.888 1.00 65.38 O +ATOM 1710 CB LYS A 254 11.308-114.005 -55.657 1.00 66.15 C +ATOM 1711 CG LYS A 254 11.380-112.589 -56.235 1.00 61.40 C +ATOM 1712 CD LYS A 254 12.818-112.224 -56.638 1.00 59.16 C +ATOM 1713 CE LYS A 254 12.851-110.789 -57.197 1.00 55.91 C +ATOM 1714 NZ LYS A 254 14.227-110.344 -57.536 1.00 49.60 N +ATOM 1715 N PRO A 255 9.364-116.746 -55.913 1.00 63.16 N +ATOM 1716 CA PRO A 255 9.326-118.188 -55.694 1.00 66.95 C +ATOM 1717 C PRO A 255 10.745-118.729 -55.459 1.00 63.41 C +ATOM 1718 O PRO A 255 11.694-118.342 -56.139 1.00 60.04 O +ATOM 1719 CB PRO A 255 8.649-118.789 -56.927 1.00 66.31 C +ATOM 1720 CG PRO A 255 8.844-117.729 -58.002 1.00 61.86 C +ATOM 1721 CD PRO A 255 8.875-116.423 -57.249 1.00 63.49 C +ATOM 1722 N GLY A 256 10.836-119.622 -54.504 1.00 68.02 N +ATOM 1723 CA GLY A 256 12.091-120.307 -54.204 1.00 68.12 C +ATOM 1724 C GLY A 256 12.590-121.104 -55.414 1.00 64.57 C +ATOM 1725 O GLY A 256 11.798-121.754 -56.099 1.00 61.52 O +ATOM 1726 N LYS A 257 13.896-121.086 -55.706 1.00 60.19 N +ATOM 1727 CA LYS A 257 14.536-121.954 -56.703 1.00 65.76 C +ATOM 1728 C LYS A 257 14.721-123.340 -56.087 1.00 60.33 C +ATOM 1729 O LYS A 257 15.335-123.428 -55.018 1.00 56.25 O +ATOM 1730 CB LYS A 257 15.897-121.390 -57.152 1.00 62.98 C +ATOM 1731 CG LYS A 257 15.769-120.135 -58.006 1.00 56.74 C +ATOM 1732 CD LYS A 257 17.160-119.683 -58.488 1.00 53.66 C +ATOM 1733 CE LYS A 257 17.070-118.466 -59.422 1.00 51.11 C +ATOM 1734 NZ LYS A 257 18.393-118.066 -59.926 1.00 44.95 N +ATOM 1735 N TYR A 258 14.205-124.354 -56.781 1.00 68.39 N +ATOM 1736 CA TYR A 258 14.606-125.747 -56.585 1.00 70.11 C +ATOM 1737 C TYR A 258 15.731-126.070 -57.549 1.00 60.44 C +ATOM 1738 O TYR A 258 15.699-125.553 -58.687 1.00 53.15 O +ATOM 1739 CB TYR A 258 13.406-126.691 -56.780 1.00 63.60 C +ATOM 1740 CG TYR A 258 12.480-126.768 -55.579 1.00 55.58 C +ATOM 1741 CD1 TYR A 258 12.803-127.638 -54.512 1.00 51.27 C +ATOM 1742 CD2 TYR A 258 11.298-126.002 -55.514 1.00 50.30 C +ATOM 1743 CE1 TYR A 258 11.961-127.736 -53.397 1.00 45.84 C +ATOM 1744 CE2 TYR A 258 10.458-126.088 -54.389 1.00 55.13 C +ATOM 1745 CZ TYR A 258 10.786-126.960 -53.338 1.00 47.93 C +ATOM 1746 OH TYR A 258 9.971-127.054 -52.253 1.00 50.07 O +ATOM 1747 OXT TYR A 258 16.604-126.844 -57.089 1.00 47.96 O +TER 1748 TYR A 258 +END diff --git a/protein_pdb_471.txt b/protein_pdb_471.txt new file mode 100644 index 0000000000000000000000000000000000000000..08e9aebb1e7165e36724f23d664f9ac175ee534f --- /dev/null +++ b/protein_pdb_471.txt @@ -0,0 +1,1748 @@ +ATOM 1 N GLY A 1 107.142 71.559 29.695 1.00 52.61 N +ATOM 2 CA GLY A 1 105.723 71.375 30.042 1.00 57.48 C +ATOM 3 C GLY A 1 105.284 70.047 29.473 1.00 55.98 C +ATOM 4 O GLY A 1 105.821 69.658 28.444 1.00 54.07 O +ATOM 5 N GLN A 2 104.462 69.311 30.181 1.00 58.40 N +ATOM 6 CA GLN A 2 103.890 68.076 29.659 1.00 62.60 C +ATOM 7 C GLN A 2 102.767 68.422 28.681 1.00 60.63 C +ATOM 8 O GLN A 2 101.932 69.257 28.999 1.00 57.40 O +ATOM 9 CB GLN A 2 103.370 67.213 30.815 1.00 61.36 C +ATOM 10 CG GLN A 2 104.508 66.615 31.660 1.00 56.25 C +ATOM 11 CD GLN A 2 104.014 65.799 32.860 1.00 51.75 C +ATOM 12 OE1 GLN A 2 102.849 65.731 33.183 1.00 50.68 O +ATOM 13 NE2 GLN A 2 104.900 65.156 33.598 1.00 47.09 N +ATOM 14 N ASP A 3 102.794 67.797 27.484 1.00 60.35 N +ATOM 15 CA ASP A 3 101.751 67.980 26.478 1.00 64.07 C +ATOM 16 C ASP A 3 100.391 67.534 27.034 1.00 61.43 C +ATOM 17 O ASP A 3 100.274 66.505 27.707 1.00 57.06 O +ATOM 18 CB ASP A 3 102.116 67.200 25.197 1.00 61.49 C +ATOM 19 CG ASP A 3 103.405 67.706 24.535 1.00 55.23 C +ATOM 20 OD1 ASP A 3 103.626 68.938 24.545 1.00 51.98 O +ATOM 21 OD2 ASP A 3 104.184 66.852 24.057 1.00 50.30 O +ATOM 22 N GLY A 4 99.389 68.334 26.774 1.00 59.45 N +ATOM 23 CA GLY A 4 98.021 68.022 27.171 1.00 61.05 C +ATOM 24 C GLY A 4 97.551 66.724 26.515 1.00 61.63 C +ATOM 25 O GLY A 4 97.707 66.540 25.316 1.00 58.86 O +ATOM 26 N ARG A 5 97.036 65.824 27.327 1.00 60.87 N +ATOM 27 CA ARG A 5 96.452 64.584 26.810 1.00 66.13 C +ATOM 28 C ARG A 5 95.170 64.915 26.055 1.00 64.52 C +ATOM 29 O ARG A 5 94.368 65.710 26.535 1.00 62.85 O +ATOM 30 CB ARG A 5 96.190 63.590 27.941 1.00 64.01 C +ATOM 31 CG ARG A 5 97.476 63.110 28.621 1.00 58.17 C +ATOM 32 CD ARG A 5 97.157 62.058 29.692 1.00 56.27 C +ATOM 33 NE ARG A 5 98.370 61.609 30.402 1.00 53.69 N +ATOM 34 CZ ARG A 5 98.426 60.657 31.326 1.00 47.65 C +ATOM 35 NH1 ARG A 5 97.363 60.015 31.718 1.00 47.98 N +ATOM 36 NH2 ARG A 5 99.559 60.348 31.881 1.00 46.80 N +ATOM 37 N ASN A 6 95.010 64.293 24.882 1.00 67.27 N +ATOM 38 CA ASN A 6 93.755 64.389 24.135 1.00 70.23 C +ATOM 39 C ASN A 6 92.582 63.925 25.008 1.00 68.68 C +ATOM 40 O ASN A 6 92.710 62.962 25.766 1.00 64.41 O +ATOM 41 CB ASN A 6 93.843 63.559 22.841 1.00 66.05 C +ATOM 42 CG ASN A 6 94.772 64.141 21.787 1.00 59.56 C +ATOM 43 OD1 ASN A 6 95.197 65.282 21.849 1.00 55.89 O +ATOM 44 ND2 ASN A 6 95.117 63.382 20.768 1.00 54.14 N +ATOM 45 N GLY A 7 91.464 64.585 24.907 1.00 62.96 N +ATOM 46 CA GLY A 7 90.241 64.185 25.586 1.00 64.00 C +ATOM 47 C GLY A 7 89.777 62.795 25.131 1.00 65.22 C +ATOM 48 O GLY A 7 89.937 62.444 23.958 1.00 62.91 O +ATOM 49 N GLU A 8 89.275 62.033 26.057 1.00 61.22 N +ATOM 50 CA GLU A 8 88.744 60.703 25.751 1.00 65.40 C +ATOM 51 C GLU A 8 87.531 60.807 24.822 1.00 63.94 C +ATOM 52 O GLU A 8 86.695 61.711 24.930 1.00 62.78 O +ATOM 53 CB GLU A 8 88.393 59.930 27.042 1.00 63.63 C +ATOM 54 CG GLU A 8 89.643 59.603 27.865 1.00 58.45 C +ATOM 55 CD GLU A 8 89.370 58.748 29.122 1.00 55.63 C +ATOM 56 OE1 GLU A 8 90.365 58.244 29.698 1.00 53.77 O +ATOM 57 OE2 GLU A 8 88.188 58.623 29.517 1.00 51.99 O +ATOM 58 N ARG A 9 87.435 59.873 23.866 1.00 65.98 N +ATOM 59 CA ARG A 9 86.328 59.792 22.911 1.00 69.87 C +ATOM 60 C ARG A 9 85.026 59.479 23.658 1.00 68.05 C +ATOM 61 O ARG A 9 85.001 58.596 24.501 1.00 63.76 O +ATOM 62 CB ARG A 9 86.671 58.727 21.862 1.00 66.35 C +ATOM 63 CG ARG A 9 85.645 58.642 20.743 1.00 60.04 C +ATOM 64 CD ARG A 9 86.090 57.578 19.733 1.00 59.53 C +ATOM 65 NE ARG A 9 85.173 57.492 18.596 1.00 56.48 N +ATOM 66 CZ ARG A 9 85.246 56.649 17.589 1.00 50.96 C +ATOM 67 NH1 ARG A 9 86.169 55.729 17.487 1.00 50.98 N +ATOM 68 NH2 ARG A 9 84.371 56.716 16.636 1.00 49.74 N +ATOM 69 N GLY A 10 83.994 60.208 23.351 1.00 64.28 N +ATOM 70 CA GLY A 10 82.678 59.945 23.922 1.00 64.98 C +ATOM 71 C GLY A 10 82.179 58.530 23.594 1.00 65.71 C +ATOM 72 O GLY A 10 82.416 58.029 22.497 1.00 63.56 O +ATOM 73 N GLU A 11 81.538 57.882 24.570 1.00 60.78 N +ATOM 74 CA GLU A 11 80.972 56.545 24.388 1.00 65.56 C +ATOM 75 C GLU A 11 79.859 56.559 23.334 1.00 63.41 C +ATOM 76 O GLU A 11 79.048 57.489 23.250 1.00 62.32 O +ATOM 77 CB GLU A 11 80.434 55.978 25.715 1.00 63.85 C +ATOM 78 CG GLU A 11 81.543 55.711 26.747 1.00 58.80 C +ATOM 79 CD GLU A 11 81.027 55.030 28.031 1.00 56.89 C +ATOM 80 OE1 GLU A 11 81.882 54.515 28.795 1.00 54.26 O +ATOM 81 OE2 GLU A 11 79.794 55.037 28.258 1.00 52.45 O +ATOM 82 N GLN A 12 79.809 55.503 22.515 1.00 67.45 N +ATOM 83 CA GLN A 12 78.760 55.317 21.522 1.00 70.48 C +ATOM 84 C GLN A 12 77.408 55.092 22.213 1.00 68.67 C +ATOM 85 O GLN A 12 77.297 54.318 23.154 1.00 64.08 O +ATOM 86 CB GLN A 12 79.150 54.150 20.592 1.00 67.94 C +ATOM 87 CG GLN A 12 78.166 53.967 19.433 1.00 63.03 C +ATOM 88 CD GLN A 12 78.607 52.871 18.459 1.00 61.17 C +ATOM 89 OE1 GLN A 12 79.606 52.198 18.599 1.00 59.56 O +ATOM 90 NE2 GLN A 12 77.857 52.664 17.399 1.00 55.24 N +ATOM 91 N GLY A 13 76.379 55.769 21.761 1.00 64.17 N +ATOM 92 CA GLY A 13 75.023 55.575 22.281 1.00 64.86 C +ATOM 93 C GLY A 13 74.522 54.144 22.055 1.00 65.53 C +ATOM 94 O GLY A 13 74.860 53.528 21.047 1.00 63.35 O +ATOM 95 N PRO A 14 73.729 53.601 22.991 1.00 63.37 N +ATOM 96 CA PRO A 14 73.194 52.258 22.840 1.00 65.94 C +ATOM 97 C PRO A 14 72.283 52.167 21.611 1.00 63.84 C +ATOM 98 O PRO A 14 71.536 53.100 21.303 1.00 61.89 O +ATOM 99 CB PRO A 14 72.438 51.953 24.140 1.00 64.83 C +ATOM 100 CG PRO A 14 72.035 53.338 24.637 1.00 61.67 C +ATOM 101 CD PRO A 14 73.206 54.222 24.201 1.00 62.80 C +ATOM 102 N THR A 15 72.323 51.028 20.930 1.00 67.45 N +ATOM 103 CA THR A 15 71.394 50.717 19.840 1.00 69.13 C +ATOM 104 C THR A 15 69.949 50.739 20.363 1.00 66.56 C +ATOM 105 O THR A 15 69.665 50.203 21.428 1.00 62.72 O +ATOM 106 CB THR A 15 71.717 49.353 19.209 1.00 67.15 C +ATOM 107 OG1 THR A 15 73.078 49.297 18.849 1.00 62.24 O +ATOM 108 CG2 THR A 15 70.913 49.059 17.949 1.00 62.02 C +ATOM 109 N GLY A 16 69.061 51.362 19.627 1.00 64.27 N +ATOM 110 CA GLY A 16 67.638 51.377 19.970 1.00 65.14 C +ATOM 111 C GLY A 16 67.038 49.963 19.994 1.00 65.24 C +ATOM 112 O GLY A 16 67.487 49.099 19.242 1.00 63.23 O +ATOM 113 N PRO A 17 66.039 49.707 20.842 1.00 62.58 N +ATOM 114 CA PRO A 17 65.394 48.404 20.907 1.00 65.20 C +ATOM 115 C PRO A 17 64.698 48.072 19.581 1.00 62.42 C +ATOM 116 O PRO A 17 64.103 48.942 18.939 1.00 60.59 O +ATOM 117 CB PRO A 17 64.406 48.476 22.074 1.00 64.43 C +ATOM 118 CG PRO A 17 64.064 49.961 22.152 1.00 62.20 C +ATOM 119 CD PRO A 17 65.375 50.643 21.744 1.00 63.64 C +ATOM 120 N THR A 18 64.730 46.799 19.192 1.00 66.35 N +ATOM 121 CA THR A 18 63.970 46.286 18.044 1.00 67.70 C +ATOM 122 C THR A 18 62.472 46.524 18.245 1.00 64.58 C +ATOM 123 O THR A 18 61.937 46.279 19.329 1.00 60.82 O +ATOM 124 CB THR A 18 64.257 44.788 17.828 1.00 66.09 C +ATOM 125 OG1 THR A 18 65.650 44.575 17.775 1.00 61.61 O +ATOM 126 CG2 THR A 18 63.660 44.233 16.538 1.00 61.40 C +ATOM 127 N GLY A 19 61.793 47.014 17.230 1.00 64.55 N +ATOM 128 CA GLY A 19 60.345 47.216 17.268 1.00 65.72 C +ATOM 129 C GLY A 19 59.585 45.904 17.516 1.00 66.40 C +ATOM 130 O GLY A 19 60.044 44.841 17.102 1.00 64.16 O +ATOM 131 N PRO A 20 58.420 45.942 18.177 1.00 63.19 N +ATOM 132 CA PRO A 20 57.615 44.752 18.402 1.00 66.00 C +ATOM 133 C PRO A 20 57.141 44.162 17.069 1.00 63.56 C +ATOM 134 O PRO A 20 56.832 44.890 16.125 1.00 61.68 O +ATOM 135 CB PRO A 20 56.448 45.198 19.285 1.00 64.96 C +ATOM 136 CG PRO A 20 56.296 46.677 18.946 1.00 62.52 C +ATOM 137 CD PRO A 20 57.735 47.124 18.678 1.00 63.90 C +ATOM 138 N ALA A 21 57.049 42.840 17.009 1.00 67.06 N +ATOM 139 CA ALA A 21 56.479 42.158 15.855 1.00 69.81 C +ATOM 140 C ALA A 21 55.023 42.601 15.623 1.00 68.68 C +ATOM 141 O ALA A 21 54.264 42.798 16.571 1.00 64.68 O +ATOM 142 CB ALA A 21 56.582 40.641 16.056 1.00 67.07 C +ATOM 143 N GLY A 22 54.647 42.726 14.353 1.00 63.17 N +ATOM 144 CA GLY A 22 53.275 43.046 13.977 1.00 65.67 C +ATOM 145 C GLY A 22 52.275 41.983 14.466 1.00 66.83 C +ATOM 146 O GLY A 22 52.630 40.816 14.611 1.00 64.41 O +ATOM 147 N PRO A 23 51.010 42.366 14.732 1.00 61.19 N +ATOM 148 CA PRO A 23 49.991 41.421 15.164 1.00 64.77 C +ATOM 149 C PRO A 23 49.751 40.351 14.096 1.00 62.97 C +ATOM 150 O PRO A 23 49.759 40.635 12.893 1.00 60.93 O +ATOM 151 CB PRO A 23 48.736 42.260 15.446 1.00 63.29 C +ATOM 152 CG PRO A 23 48.925 43.479 14.544 1.00 60.63 C +ATOM 153 CD PRO A 23 50.437 43.689 14.542 1.00 62.17 C +ATOM 154 N ARG A 24 49.504 39.103 14.532 1.00 58.35 N +ATOM 155 CA ARG A 24 49.156 37.997 13.635 1.00 63.96 C +ATOM 156 C ARG A 24 47.838 38.295 12.915 1.00 61.19 C +ATOM 157 O ARG A 24 46.884 38.753 13.546 1.00 57.88 O +ATOM 158 CB ARG A 24 49.093 36.695 14.447 1.00 62.93 C +ATOM 159 CG ARG A 24 48.882 35.457 13.560 1.00 59.55 C +ATOM 160 CD ARG A 24 48.904 34.181 14.413 1.00 60.00 C +ATOM 161 NE ARG A 24 48.716 32.975 13.596 1.00 57.28 N +ATOM 162 CZ ARG A 24 48.750 31.727 14.028 1.00 51.11 C +ATOM 163 NH1 ARG A 24 48.964 31.435 15.280 1.00 51.66 N +ATOM 164 NH2 ARG A 24 48.567 30.742 13.195 1.00 50.07 N +ATOM 165 N GLY A 25 47.786 38.003 11.629 1.00 60.99 N +ATOM 166 CA GLY A 25 46.550 38.119 10.845 1.00 62.89 C +ATOM 167 C GLY A 25 45.403 37.290 11.442 1.00 63.70 C +ATOM 168 O GLY A 25 45.627 36.227 12.020 1.00 60.54 O +ATOM 169 N LEU A 26 44.162 37.797 11.318 1.00 57.01 N +ATOM 170 CA LEU A 26 42.977 37.090 11.797 1.00 61.35 C +ATOM 171 C LEU A 26 42.761 35.805 10.990 1.00 59.94 C +ATOM 172 O LEU A 26 42.956 35.769 9.781 1.00 57.99 O +ATOM 173 CB LEU A 26 41.734 38.005 11.721 1.00 59.72 C +ATOM 174 CG LEU A 26 41.778 39.241 12.636 1.00 55.67 C +ATOM 175 CD1 LEU A 26 40.547 40.112 12.392 1.00 53.68 C +ATOM 176 CD2 LEU A 26 41.808 38.866 14.114 1.00 52.21 C +ATOM 177 N GLN A 27 42.331 34.742 11.684 1.00 59.10 N +ATOM 178 CA GLN A 27 41.982 33.477 11.042 1.00 63.20 C +ATOM 179 C GLN A 27 40.768 33.670 10.123 1.00 60.08 C +ATOM 180 O GLN A 27 39.804 34.337 10.502 1.00 57.30 O +ATOM 181 CB GLN A 27 41.741 32.425 12.131 1.00 62.40 C +ATOM 182 CG GLN A 27 41.504 31.019 11.555 1.00 59.82 C +ATOM 183 CD GLN A 27 41.387 29.935 12.632 1.00 57.93 C +ATOM 184 OE1 GLN A 27 41.563 30.161 13.824 1.00 57.02 O +ATOM 185 NE2 GLN A 27 41.100 28.712 12.259 1.00 52.92 N +ATOM 186 N GLY A 28 40.808 33.072 8.934 1.00 58.60 N +ATOM 187 CA GLY A 28 39.677 33.071 8.008 1.00 60.80 C +ATOM 188 C GLY A 28 38.437 32.416 8.623 1.00 61.34 C +ATOM 189 O GLY A 28 38.541 31.480 9.416 1.00 58.57 O +ATOM 190 N LEU A 29 37.246 32.921 8.273 1.00 56.44 N +ATOM 191 CA LEU A 29 35.981 32.342 8.722 1.00 60.99 C +ATOM 192 C LEU A 29 35.791 30.947 8.106 1.00 60.23 C +ATOM 193 O LEU A 29 36.100 30.730 6.938 1.00 58.26 O +ATOM 194 CB LEU A 29 34.798 33.259 8.370 1.00 58.85 C +ATOM 195 CG LEU A 29 34.804 34.626 9.082 1.00 54.76 C +ATOM 196 CD1 LEU A 29 33.649 35.492 8.570 1.00 52.73 C +ATOM 197 CD2 LEU A 29 34.649 34.489 10.600 1.00 51.09 C +ATOM 198 N GLN A 30 35.257 30.012 8.904 1.00 59.04 N +ATOM 199 CA GLN A 30 34.919 28.678 8.421 1.00 63.63 C +ATOM 200 C GLN A 30 33.797 28.757 7.382 1.00 61.19 C +ATOM 201 O GLN A 30 32.812 29.475 7.582 1.00 57.93 O +ATOM 202 CB GLN A 30 34.547 27.794 9.628 1.00 62.14 C +ATOM 203 CG GLN A 30 34.336 26.329 9.234 1.00 58.93 C +ATOM 204 CD GLN A 30 34.080 25.409 10.433 1.00 56.56 C +ATOM 205 OE1 GLN A 30 34.069 25.807 11.591 1.00 55.48 O +ATOM 206 NE2 GLN A 30 33.876 24.130 10.203 1.00 51.37 N +ATOM 207 N GLY A 31 33.921 27.994 6.294 1.00 56.64 N +ATOM 208 CA GLY A 31 32.882 27.887 5.273 1.00 59.24 C +ATOM 209 C GLY A 31 31.562 27.348 5.838 1.00 59.91 C +ATOM 210 O GLY A 31 31.550 26.520 6.742 1.00 57.28 O +ATOM 211 N LEU A 32 30.422 27.820 5.298 1.00 57.11 N +ATOM 212 CA LEU A 32 29.101 27.328 5.693 1.00 61.85 C +ATOM 213 C LEU A 32 28.937 25.864 5.260 1.00 61.34 C +ATOM 214 O LEU A 32 29.378 25.463 4.187 1.00 59.31 O +ATOM 215 CB LEU A 32 27.995 28.212 5.095 1.00 59.64 C +ATOM 216 CG LEU A 32 27.979 29.666 5.606 1.00 55.38 C +ATOM 217 CD1 LEU A 32 26.909 30.465 4.879 1.00 53.11 C +ATOM 218 CD2 LEU A 32 27.700 29.754 7.103 1.00 51.82 C +ATOM 219 N GLN A 33 28.280 25.067 6.119 1.00 61.22 N +ATOM 220 CA GLN A 33 27.942 23.684 5.793 1.00 66.33 C +ATOM 221 C GLN A 33 26.941 23.650 4.629 1.00 64.07 C +ATOM 222 O GLN A 33 25.963 24.401 4.637 1.00 60.64 O +ATOM 223 CB GLN A 33 27.406 22.982 7.048 1.00 63.90 C +ATOM 224 CG GLN A 33 27.160 21.480 6.816 1.00 59.57 C +ATOM 225 CD GLN A 33 26.721 20.735 8.072 1.00 56.57 C +ATOM 226 OE1 GLN A 33 26.626 21.252 9.174 1.00 56.02 O +ATOM 227 NE2 GLN A 33 26.443 19.450 7.960 1.00 52.03 N +ATOM 228 N GLY A 34 27.151 22.755 3.659 1.00 57.91 N +ATOM 229 CA GLY A 34 26.231 22.551 2.546 1.00 60.51 C +ATOM 230 C GLY A 34 24.847 22.079 3.002 1.00 61.90 C +ATOM 231 O GLY A 34 24.705 21.360 3.994 1.00 59.59 O +ATOM 232 N GLU A 35 23.788 22.479 2.266 1.00 56.03 N +ATOM 233 CA GLU A 35 22.420 22.045 2.542 1.00 62.13 C +ATOM 234 C GLU A 35 22.269 20.536 2.341 1.00 61.44 C +ATOM 235 O GLU A 35 22.893 19.921 1.469 1.00 59.97 O +ATOM 236 CB GLU A 35 21.407 22.818 1.686 1.00 59.55 C +ATOM 237 CG GLU A 35 21.380 24.322 2.034 1.00 54.71 C +ATOM 238 CD GLU A 35 20.259 25.091 1.323 1.00 51.09 C +ATOM 239 OE1 GLU A 35 19.962 26.212 1.798 1.00 48.75 O +ATOM 240 OE2 GLU A 35 19.699 24.561 0.341 1.00 47.73 O +ATOM 241 N ARG A 36 21.408 19.907 3.185 1.00 63.29 N +ATOM 242 CA ARG A 36 21.108 18.482 3.070 1.00 68.37 C +ATOM 243 C ARG A 36 20.316 18.229 1.794 1.00 66.19 C +ATOM 244 O ARG A 36 19.331 18.915 1.540 1.00 62.41 O +ATOM 245 CB ARG A 36 20.347 18.028 4.325 1.00 65.70 C +ATOM 246 CG ARG A 36 20.099 16.513 4.320 1.00 61.67 C +ATOM 247 CD ARG A 36 19.394 16.100 5.604 1.00 60.95 C +ATOM 248 NE ARG A 36 19.148 14.654 5.643 1.00 58.94 N +ATOM 249 CZ ARG A 36 18.619 13.972 6.643 1.00 53.77 C +ATOM 250 NH1 ARG A 36 18.241 14.573 7.737 1.00 53.90 N +ATOM 251 NH2 ARG A 36 18.467 12.684 6.554 1.00 52.62 N +ATOM 252 N GLY A 37 20.685 17.188 1.047 1.00 59.95 N +ATOM 253 CA GLY A 37 19.956 16.795 -0.159 1.00 61.76 C +ATOM 254 C GLY A 37 18.497 16.425 0.110 1.00 63.32 C +ATOM 255 O GLY A 37 18.151 15.902 1.169 1.00 61.09 O +ATOM 256 N GLU A 38 17.624 16.685 -0.879 1.00 55.36 N +ATOM 257 CA GLU A 38 16.203 16.357 -0.809 1.00 61.17 C +ATOM 258 C GLU A 38 15.968 14.846 -0.708 1.00 59.44 C +ATOM 259 O GLU A 38 16.719 14.019 -1.229 1.00 58.00 O +ATOM 260 CB GLU A 38 15.436 16.935 -2.010 1.00 59.46 C +ATOM 261 CG GLU A 38 15.436 18.475 -2.039 1.00 54.68 C +ATOM 262 CD GLU A 38 14.530 19.050 -3.144 1.00 51.47 C +ATOM 263 OE1 GLU A 38 14.206 20.256 -3.050 1.00 49.26 O +ATOM 264 OE2 GLU A 38 14.149 18.280 -4.060 1.00 48.22 O +ATOM 265 N GLN A 39 14.878 14.468 -0.001 1.00 64.07 N +ATOM 266 CA GLN A 39 14.478 13.073 0.119 1.00 67.58 C +ATOM 267 C GLN A 39 14.000 12.553 -1.242 1.00 65.35 C +ATOM 268 O GLN A 39 13.193 13.198 -1.910 1.00 61.97 O +ATOM 269 CB GLN A 39 13.409 12.945 1.210 1.00 65.84 C +ATOM 270 CG GLN A 39 13.003 11.482 1.457 1.00 62.86 C +ATOM 271 CD GLN A 39 12.022 11.309 2.616 1.00 60.62 C +ATOM 272 OE1 GLN A 39 11.707 12.200 3.379 1.00 60.46 O +ATOM 273 NE2 GLN A 39 11.500 10.112 2.804 1.00 56.54 N +ATOM 274 N GLY A 40 14.439 11.348 -1.621 1.00 59.85 N +ATOM 275 CA GLY A 40 13.999 10.714 -2.858 1.00 61.09 C +ATOM 276 C GLY A 40 12.491 10.443 -2.901 1.00 61.03 C +ATOM 277 O GLY A 40 11.854 10.274 -1.853 1.00 59.15 O +ATOM 278 N PRO A 41 11.885 10.366 -4.110 1.00 59.58 N +ATOM 279 CA PRO A 41 10.460 10.128 -4.268 1.00 63.11 C +ATOM 280 C PRO A 41 10.049 8.765 -3.697 1.00 61.02 C +ATOM 281 O PRO A 41 10.806 7.793 -3.716 1.00 59.35 O +ATOM 282 CB PRO A 41 10.178 10.236 -5.767 1.00 62.47 C +ATOM 283 CG PRO A 41 11.518 9.869 -6.400 1.00 61.07 C +ATOM 284 CD PRO A 41 12.530 10.441 -5.403 1.00 63.74 C +ATOM 285 N THR A 42 8.796 8.681 -3.197 1.00 64.06 N +ATOM 286 CA THR A 42 8.196 7.422 -2.745 1.00 65.94 C +ATOM 287 C THR A 42 8.043 6.468 -3.925 1.00 63.59 C +ATOM 288 O THR A 42 7.609 6.879 -5.003 1.00 60.33 O +ATOM 289 CB THR A 42 6.839 7.673 -2.078 1.00 64.51 C +ATOM 290 OG1 THR A 42 6.990 8.605 -1.025 1.00 60.29 O +ATOM 291 CG2 THR A 42 6.224 6.424 -1.460 1.00 60.11 C +ATOM 292 N GLY A 43 8.376 5.182 -3.732 1.00 58.39 N +ATOM 293 CA GLY A 43 8.211 4.158 -4.757 1.00 60.13 C +ATOM 294 C GLY A 43 6.750 3.988 -5.204 1.00 60.50 C +ATOM 295 O GLY A 43 5.827 4.303 -4.451 1.00 58.99 O +ATOM 296 N PRO A 44 6.511 3.479 -6.439 1.00 61.57 N +ATOM 297 CA PRO A 44 5.175 3.262 -6.961 1.00 65.04 C +ATOM 298 C PRO A 44 4.400 2.244 -6.106 1.00 63.48 C +ATOM 299 O PRO A 44 4.984 1.331 -5.520 1.00 61.81 O +ATOM 300 CB PRO A 44 5.357 2.780 -8.399 1.00 64.29 C +ATOM 301 CG PRO A 44 6.739 2.128 -8.381 1.00 63.15 C +ATOM 302 CD PRO A 44 7.513 2.988 -7.376 1.00 66.05 C +ATOM 303 N ALA A 45 3.057 2.392 -6.060 1.00 66.68 N +ATOM 304 CA ALA A 45 2.186 1.422 -5.410 1.00 69.32 C +ATOM 305 C ALA A 45 2.310 0.044 -6.087 1.00 68.39 C +ATOM 306 O ALA A 45 2.435 -0.044 -7.314 1.00 65.18 O +ATOM 307 CB ALA A 45 0.744 1.933 -5.428 1.00 66.96 C +ATOM 308 N GLY A 46 2.238 -1.029 -5.286 1.00 60.37 N +ATOM 309 CA GLY A 46 2.264 -2.390 -5.803 1.00 62.75 C +ATOM 310 C GLY A 46 1.075 -2.704 -6.721 1.00 63.43 C +ATOM 311 O GLY A 46 0.031 -2.047 -6.639 1.00 61.50 O +ATOM 312 N PRO A 47 1.208 -3.714 -7.609 1.00 62.47 N +ATOM 313 CA PRO A 47 0.140 -4.102 -8.519 1.00 66.59 C +ATOM 314 C PRO A 47 -1.102 -4.563 -7.742 1.00 65.79 C +ATOM 315 O PRO A 47 -1.013 -5.188 -6.685 1.00 64.07 O +ATOM 316 CB PRO A 47 0.722 -5.207 -9.397 1.00 65.52 C +ATOM 317 CG PRO A 47 1.814 -5.819 -8.523 1.00 64.45 C +ATOM 318 CD PRO A 47 2.343 -4.624 -7.731 1.00 67.69 C +ATOM 319 N ARG A 48 -2.292 -4.275 -8.301 1.00 65.69 N +ATOM 320 CA ARG A 48 -3.559 -4.741 -7.737 1.00 69.57 C +ATOM 321 C ARG A 48 -3.617 -6.265 -7.783 1.00 67.96 C +ATOM 322 O ARG A 48 -3.292 -6.861 -8.798 1.00 64.06 O +ATOM 323 CB ARG A 48 -4.712 -4.091 -8.518 1.00 66.90 C +ATOM 324 CG ARG A 48 -6.080 -4.398 -7.895 1.00 61.94 C +ATOM 325 CD ARG A 48 -7.176 -3.678 -8.666 1.00 62.21 C +ATOM 326 NE ARG A 48 -8.506 -3.953 -8.097 1.00 58.38 N +ATOM 327 CZ ARG A 48 -9.652 -3.429 -8.500 1.00 52.05 C +ATOM 328 NH1 ARG A 48 -9.706 -2.588 -9.489 1.00 51.81 N +ATOM 329 NH2 ARG A 48 -10.754 -3.747 -7.900 1.00 49.64 N +ATOM 330 N GLY A 49 -4.106 -6.882 -6.688 1.00 62.97 N +ATOM 331 CA GLY A 49 -4.310 -8.325 -6.632 1.00 64.55 C +ATOM 332 C GLY A 49 -5.236 -8.836 -7.743 1.00 65.22 C +ATOM 333 O GLY A 49 -6.150 -8.127 -8.177 1.00 62.52 O +ATOM 334 N LEU A 50 -4.985 -10.060 -8.222 1.00 64.62 N +ATOM 335 CA LEU A 50 -5.802 -10.699 -9.247 1.00 68.58 C +ATOM 336 C LEU A 50 -7.240 -10.878 -8.740 1.00 68.11 C +ATOM 337 O LEU A 50 -7.477 -11.159 -7.574 1.00 65.92 O +ATOM 338 CB LEU A 50 -5.185 -12.035 -9.685 1.00 66.33 C +ATOM 339 CG LEU A 50 -3.809 -11.922 -10.363 1.00 62.34 C +ATOM 340 CD1 LEU A 50 -3.259 -13.310 -10.686 1.00 59.97 C +ATOM 341 CD2 LEU A 50 -3.858 -11.117 -11.673 1.00 58.36 C +ATOM 342 N GLN A 51 -8.204 -10.699 -9.651 1.00 69.92 N +ATOM 343 CA GLN A 51 -9.608 -10.952 -9.345 1.00 72.94 C +ATOM 344 C GLN A 51 -9.808 -12.454 -9.086 1.00 71.18 C +ATOM 345 O GLN A 51 -9.320 -13.267 -9.857 1.00 67.27 O +ATOM 346 CB GLN A 51 -10.474 -10.432 -10.498 1.00 69.78 C +ATOM 347 CG GLN A 51 -11.973 -10.578 -10.219 1.00 65.43 C +ATOM 348 CD GLN A 51 -12.868 -9.967 -11.295 1.00 62.94 C +ATOM 349 OE1 GLN A 51 -12.448 -9.341 -12.250 1.00 60.48 O +ATOM 350 NE2 GLN A 51 -14.164 -10.115 -11.172 1.00 56.65 N +ATOM 351 N GLY A 52 -10.556 -12.798 -8.028 1.00 65.00 N +ATOM 352 CA GLY A 52 -10.896 -14.181 -7.730 1.00 66.41 C +ATOM 353 C GLY A 52 -11.627 -14.858 -8.894 1.00 67.52 C +ATOM 354 O GLY A 52 -12.384 -14.213 -9.627 1.00 64.85 O +ATOM 355 N GLU A 53 -11.383 -16.158 -9.075 1.00 61.11 N +ATOM 356 CA GLU A 53 -12.030 -16.949 -10.121 1.00 66.21 C +ATOM 357 C GLU A 53 -13.553 -16.933 -9.950 1.00 65.44 C +ATOM 358 O GLU A 53 -14.101 -16.833 -8.845 1.00 64.13 O +ATOM 359 CB GLU A 53 -11.487 -18.380 -10.161 1.00 64.26 C +ATOM 360 CG GLU A 53 -9.995 -18.403 -10.562 1.00 60.32 C +ATOM 361 CD GLU A 53 -9.461 -19.824 -10.811 1.00 57.65 C +ATOM 362 OE1 GLU A 53 -8.385 -19.905 -11.452 1.00 54.72 O +ATOM 363 OE2 GLU A 53 -10.115 -20.783 -10.373 1.00 53.62 O +ATOM 364 N ARG A 54 -14.253 -16.983 -11.089 1.00 70.29 N +ATOM 365 CA ARG A 54 -15.714 -17.038 -11.082 1.00 73.38 C +ATOM 366 C ARG A 54 -16.153 -18.386 -10.515 1.00 71.56 C +ATOM 367 O ARG A 54 -15.704 -19.408 -11.003 1.00 67.14 O +ATOM 368 CB ARG A 54 -16.230 -16.815 -12.507 1.00 69.46 C +ATOM 369 CG ARG A 54 -17.768 -16.805 -12.583 1.00 64.38 C +ATOM 370 CD ARG A 54 -18.181 -16.548 -14.025 1.00 64.77 C +ATOM 371 NE ARG A 54 -19.646 -16.557 -14.183 1.00 60.68 N +ATOM 372 CZ ARG A 54 -20.293 -16.403 -15.323 1.00 55.83 C +ATOM 373 NH1 ARG A 54 -19.672 -16.179 -16.447 1.00 54.97 N +ATOM 374 NH2 ARG A 54 -21.580 -16.479 -15.357 1.00 52.98 N +ATOM 375 N GLY A 55 -17.086 -18.368 -9.559 1.00 64.35 N +ATOM 376 CA GLY A 55 -17.649 -19.602 -9.013 1.00 65.29 C +ATOM 377 C GLY A 55 -18.248 -20.490 -10.103 1.00 66.33 C +ATOM 378 O GLY A 55 -18.821 -19.992 -11.079 1.00 64.10 O +ATOM 379 N GLU A 56 -18.099 -21.813 -9.942 1.00 61.27 N +ATOM 380 CA GLU A 56 -18.632 -22.796 -10.879 1.00 65.46 C +ATOM 381 C GLU A 56 -20.157 -22.666 -11.006 1.00 64.23 C +ATOM 382 O GLU A 56 -20.873 -22.295 -10.071 1.00 62.84 O +ATOM 383 CB GLU A 56 -18.234 -24.222 -10.481 1.00 63.68 C +ATOM 384 CG GLU A 56 -16.714 -24.463 -10.576 1.00 59.35 C +ATOM 385 CD GLU A 56 -16.331 -25.947 -10.385 1.00 57.10 C +ATOM 386 OE1 GLU A 56 -15.205 -26.288 -10.796 1.00 54.15 O +ATOM 387 OE2 GLU A 56 -17.173 -26.706 -9.867 1.00 52.87 O +ATOM 388 N GLN A 57 -20.661 -22.963 -12.211 1.00 69.76 N +ATOM 389 CA GLN A 57 -22.098 -22.974 -12.442 1.00 72.56 C +ATOM 390 C GLN A 57 -22.727 -24.123 -11.646 1.00 71.69 C +ATOM 391 O GLN A 57 -22.254 -25.249 -11.717 1.00 67.65 O +ATOM 392 CB GLN A 57 -22.372 -23.067 -13.951 1.00 69.86 C +ATOM 393 CG GLN A 57 -23.866 -23.017 -14.274 1.00 65.73 C +ATOM 394 CD GLN A 57 -24.166 -22.968 -15.775 1.00 64.11 C +ATOM 395 OE1 GLN A 57 -23.309 -22.784 -16.624 1.00 61.99 O +ATOM 396 NE2 GLN A 57 -25.413 -23.093 -16.155 1.00 58.29 N +ATOM 397 N GLY A 58 -23.807 -23.832 -10.930 1.00 63.17 N +ATOM 398 CA GLY A 58 -24.532 -24.867 -10.200 1.00 63.85 C +ATOM 399 C GLY A 58 -25.007 -26.001 -11.117 1.00 64.34 C +ATOM 400 O GLY A 58 -25.298 -25.758 -12.295 1.00 61.80 O +ATOM 401 N PRO A 59 -25.103 -27.237 -10.610 1.00 62.69 N +ATOM 402 CA PRO A 59 -25.521 -28.386 -11.406 1.00 66.41 C +ATOM 403 C PRO A 59 -26.933 -28.168 -11.967 1.00 64.34 C +ATOM 404 O PRO A 59 -27.799 -27.559 -11.334 1.00 62.06 O +ATOM 405 CB PRO A 59 -25.442 -29.597 -10.473 1.00 66.01 C +ATOM 406 CG PRO A 59 -25.604 -28.990 -9.084 1.00 64.82 C +ATOM 407 CD PRO A 59 -24.908 -27.620 -9.221 1.00 67.90 C +ATOM 408 N THR A 60 -27.174 -28.709 -13.184 1.00 70.19 N +ATOM 409 CA THR A 60 -28.504 -28.718 -13.787 1.00 71.03 C +ATOM 410 C THR A 60 -29.459 -29.521 -12.902 1.00 68.56 C +ATOM 411 O THR A 60 -29.103 -30.611 -12.446 1.00 64.17 O +ATOM 412 CB THR A 60 -28.463 -29.308 -15.201 1.00 69.02 C +ATOM 413 OG1 THR A 60 -27.504 -28.621 -15.978 1.00 64.86 O +ATOM 414 CG2 THR A 60 -29.788 -29.199 -15.940 1.00 65.59 C +ATOM 415 N GLY A 61 -30.658 -28.996 -12.680 1.00 59.99 N +ATOM 416 CA GLY A 61 -31.679 -29.708 -11.922 1.00 61.19 C +ATOM 417 C GLY A 61 -31.981 -31.087 -12.517 1.00 61.87 C +ATOM 418 O GLY A 61 -31.976 -31.260 -13.734 1.00 59.65 O +ATOM 419 N LEU A 62 -32.225 -32.057 -11.657 1.00 61.56 N +ATOM 420 CA LEU A 62 -32.560 -33.414 -12.084 1.00 66.47 C +ATOM 421 C LEU A 62 -33.855 -33.402 -12.906 1.00 64.80 C +ATOM 422 O LEU A 62 -34.792 -32.661 -12.602 1.00 62.86 O +ATOM 423 CB LEU A 62 -32.674 -34.347 -10.872 1.00 64.55 C +ATOM 424 CG LEU A 62 -31.366 -34.572 -10.097 1.00 61.24 C +ATOM 425 CD1 LEU A 62 -31.627 -35.426 -8.855 1.00 59.03 C +ATOM 426 CD2 LEU A 62 -30.298 -35.285 -10.939 1.00 57.85 C +ATOM 427 N ALA A 63 -33.911 -34.249 -13.935 1.00 67.83 N +ATOM 428 CA ALA A 63 -35.137 -34.439 -14.702 1.00 70.35 C +ATOM 429 C ALA A 63 -36.269 -34.937 -13.788 1.00 69.48 C +ATOM 430 O ALA A 63 -36.051 -35.777 -12.912 1.00 65.55 O +ATOM 431 CB ALA A 63 -34.869 -35.410 -15.856 1.00 67.28 C +ATOM 432 N GLY A 64 -37.487 -34.435 -14.019 1.00 60.47 N +ATOM 433 CA GLY A 64 -38.674 -34.898 -13.312 1.00 62.67 C +ATOM 434 C GLY A 64 -38.894 -36.394 -13.523 1.00 63.60 C +ATOM 435 O GLY A 64 -38.598 -36.938 -14.584 1.00 61.52 O +ATOM 436 N LYS A 65 -39.399 -37.049 -12.492 1.00 64.64 N +ATOM 437 CA LYS A 65 -39.732 -38.480 -12.588 1.00 70.36 C +ATOM 438 C LYS A 65 -40.786 -38.682 -13.674 1.00 67.22 C +ATOM 439 O LYS A 65 -41.692 -37.863 -13.827 1.00 66.98 O +ATOM 440 CB LYS A 65 -40.219 -39.027 -11.242 1.00 67.65 C +ATOM 441 CG LYS A 65 -39.118 -39.044 -10.171 1.00 62.96 C +ATOM 442 CD LYS A 65 -39.651 -39.656 -8.873 1.00 61.73 C +ATOM 443 CE LYS A 65 -38.576 -39.665 -7.782 1.00 57.27 C +ATOM 444 NZ LYS A 65 -39.103 -40.226 -6.523 1.00 50.96 N +ATOM 445 N ALA A 66 -40.667 -39.769 -14.429 1.00 72.24 N +ATOM 446 CA ALA A 66 -41.715 -40.150 -15.368 1.00 74.42 C +ATOM 447 C ALA A 66 -43.035 -40.373 -14.618 1.00 73.43 C +ATOM 448 O ALA A 66 -43.030 -40.929 -13.518 1.00 69.03 O +ATOM 449 CB ALA A 66 -41.274 -41.402 -16.142 1.00 70.95 C +ATOM 450 N GLY A 67 -44.139 -39.933 -15.221 1.00 66.37 N +ATOM 451 CA GLY A 67 -45.466 -40.176 -14.674 1.00 68.13 C +ATOM 452 C GLY A 67 -45.742 -41.671 -14.523 1.00 70.25 C +ATOM 453 O GLY A 67 -45.276 -42.480 -15.321 1.00 68.05 O +ATOM 454 N GLU A 68 -46.517 -42.035 -13.496 1.00 57.19 N +ATOM 455 CA GLU A 68 -46.921 -43.417 -13.270 1.00 63.84 C +ATOM 456 C GLU A 68 -47.780 -43.924 -14.431 1.00 60.54 C +ATOM 457 O GLU A 68 -48.516 -43.169 -15.079 1.00 60.02 O +ATOM 458 CB GLU A 68 -47.641 -43.570 -11.919 1.00 62.98 C +ATOM 459 CG GLU A 68 -46.686 -43.298 -10.742 1.00 59.11 C +ATOM 460 CD GLU A 68 -47.302 -43.592 -9.360 1.00 56.67 C +ATOM 461 OE1 GLU A 68 -46.504 -43.685 -8.396 1.00 54.26 O +ATOM 462 OE2 GLU A 68 -48.541 -43.720 -9.278 1.00 54.10 O +ATOM 463 N ALA A 69 -47.636 -45.215 -14.753 1.00 72.65 N +ATOM 464 CA ALA A 69 -48.480 -45.831 -15.769 1.00 74.64 C +ATOM 465 C ALA A 69 -49.949 -45.775 -15.328 1.00 73.59 C +ATOM 466 O ALA A 69 -50.258 -46.029 -14.168 1.00 69.39 O +ATOM 467 CB ALA A 69 -48.011 -47.270 -16.022 1.00 71.31 C +ATOM 468 N GLY A 70 -50.844 -45.478 -16.274 1.00 66.25 N +ATOM 469 CA GLY A 70 -52.272 -45.491 -16.003 1.00 67.40 C +ATOM 470 C GLY A 70 -52.727 -46.842 -15.463 1.00 68.65 C +ATOM 471 O GLY A 70 -52.249 -47.892 -15.885 1.00 66.20 O +ATOM 472 N ALA A 71 -53.692 -46.803 -14.551 1.00 64.47 N +ATOM 473 CA ALA A 71 -54.268 -48.012 -13.990 1.00 69.12 C +ATOM 474 C ALA A 71 -54.868 -48.884 -15.103 1.00 67.97 C +ATOM 475 O ALA A 71 -55.399 -48.389 -16.096 1.00 66.50 O +ATOM 476 CB ALA A 71 -55.298 -47.636 -12.919 1.00 66.65 C +ATOM 477 N LYS A 72 -54.758 -50.205 -14.939 1.00 68.71 N +ATOM 478 CA LYS A 72 -55.408 -51.138 -15.854 1.00 73.53 C +ATOM 479 C LYS A 72 -56.921 -50.927 -15.801 1.00 71.43 C +ATOM 480 O LYS A 72 -57.485 -50.854 -14.715 1.00 68.29 O +ATOM 481 CB LYS A 72 -55.001 -52.566 -15.481 1.00 69.51 C +ATOM 482 CG LYS A 72 -55.545 -53.599 -16.471 1.00 65.92 C +ATOM 483 CD LYS A 72 -55.069 -55.004 -16.104 1.00 64.80 C +ATOM 484 CE LYS A 72 -55.627 -56.016 -17.097 1.00 61.08 C +ATOM 485 NZ LYS A 72 -55.214 -57.397 -16.766 1.00 55.08 N +ATOM 486 N GLY A 73 -57.559 -50.853 -16.960 1.00 65.39 N +ATOM 487 CA GLY A 73 -59.015 -50.738 -17.030 1.00 66.81 C +ATOM 488 C GLY A 73 -59.708 -51.891 -16.296 1.00 68.08 C +ATOM 489 O GLY A 73 -59.229 -53.024 -16.300 1.00 65.55 O +ATOM 490 N GLU A 74 -60.851 -51.574 -15.693 1.00 57.79 N +ATOM 491 CA GLU A 74 -61.658 -52.573 -15.010 1.00 63.00 C +ATOM 492 C GLU A 74 -62.176 -53.627 -15.996 1.00 60.89 C +ATOM 493 O GLU A 74 -62.423 -53.358 -17.176 1.00 59.77 O +ATOM 494 CB GLU A 74 -62.809 -51.926 -14.234 1.00 61.64 C +ATOM 495 CG GLU A 74 -62.307 -51.016 -13.094 1.00 58.22 C +ATOM 496 CD GLU A 74 -63.437 -50.480 -12.205 1.00 55.37 C +ATOM 497 OE1 GLU A 74 -63.103 -50.007 -11.092 1.00 53.51 O +ATOM 498 OE2 GLU A 74 -64.610 -50.555 -12.625 1.00 52.49 O +ATOM 499 N THR A 75 -62.320 -54.858 -15.514 1.00 68.17 N +ATOM 500 CA THR A 75 -62.929 -55.926 -16.312 1.00 69.14 C +ATOM 501 C THR A 75 -64.401 -55.600 -16.531 1.00 66.51 C +ATOM 502 O THR A 75 -65.098 -55.266 -15.577 1.00 63.04 O +ATOM 503 CB THR A 75 -62.778 -57.289 -15.625 1.00 67.60 C +ATOM 504 OG1 THR A 75 -61.411 -57.546 -15.387 1.00 64.32 O +ATOM 505 CG2 THR A 75 -63.304 -58.452 -16.459 1.00 63.43 C +ATOM 506 N GLY A 76 -64.842 -55.694 -17.774 1.00 60.28 N +ATOM 507 CA GLY A 76 -66.253 -55.479 -18.086 1.00 61.21 C +ATOM 508 C GLY A 76 -67.174 -56.384 -17.256 1.00 61.51 C +ATOM 509 O GLY A 76 -66.795 -57.495 -16.892 1.00 60.05 O +ATOM 510 N PRO A 77 -68.416 -55.930 -16.970 1.00 60.98 N +ATOM 511 CA PRO A 77 -69.378 -56.724 -16.219 1.00 64.12 C +ATOM 512 C PRO A 77 -69.709 -58.019 -16.972 1.00 61.86 C +ATOM 513 O PRO A 77 -69.650 -58.087 -18.197 1.00 60.61 O +ATOM 514 CB PRO A 77 -70.611 -55.824 -16.034 1.00 63.63 C +ATOM 515 CG PRO A 77 -70.528 -54.872 -17.217 1.00 62.30 C +ATOM 516 CD PRO A 77 -69.017 -54.685 -17.410 1.00 65.39 C +ATOM 517 N ALA A 78 -70.077 -59.065 -16.237 1.00 61.57 N +ATOM 518 CA ALA A 78 -70.569 -60.292 -16.858 1.00 63.90 C +ATOM 519 C ALA A 78 -71.846 -60.006 -17.660 1.00 62.59 C +ATOM 520 O ALA A 78 -72.699 -59.241 -17.225 1.00 59.71 O +ATOM 521 CB ALA A 78 -70.797 -61.349 -15.774 1.00 62.32 C +ATOM 522 N GLY A 79 -71.963 -60.643 -18.810 1.00 57.25 N +ATOM 523 CA GLY A 79 -73.168 -60.538 -19.615 1.00 58.96 C +ATOM 524 C GLY A 79 -74.418 -60.972 -18.835 1.00 60.04 C +ATOM 525 O GLY A 79 -74.332 -61.800 -17.925 1.00 58.84 O +ATOM 526 N PRO A 80 -75.592 -60.437 -19.189 1.00 60.35 N +ATOM 527 CA PRO A 80 -76.837 -60.797 -18.522 1.00 63.78 C +ATOM 528 C PRO A 80 -77.114 -62.295 -18.678 1.00 62.59 C +ATOM 529 O PRO A 80 -76.720 -62.932 -19.657 1.00 61.48 O +ATOM 530 CB PRO A 80 -77.920 -59.922 -19.178 1.00 62.87 C +ATOM 531 CG PRO A 80 -77.346 -59.633 -20.561 1.00 60.41 C +ATOM 532 CD PRO A 80 -75.845 -59.543 -20.315 1.00 62.52 C +ATOM 533 N GLN A 81 -77.829 -62.879 -17.717 1.00 60.41 N +ATOM 534 CA GLN A 81 -78.289 -64.260 -17.838 1.00 64.01 C +ATOM 535 C GLN A 81 -79.272 -64.380 -19.004 1.00 62.36 C +ATOM 536 O GLN A 81 -80.172 -63.549 -19.149 1.00 59.85 O +ATOM 537 CB GLN A 81 -78.916 -64.691 -16.510 1.00 62.65 C +ATOM 538 CG GLN A 81 -79.318 -66.177 -16.518 1.00 59.54 C +ATOM 539 CD GLN A 81 -79.850 -66.665 -15.177 1.00 57.53 C +ATOM 540 OE1 GLN A 81 -79.850 -65.993 -14.176 1.00 57.72 O +ATOM 541 NE2 GLN A 81 -80.319 -67.890 -15.116 1.00 53.21 N +ATOM 542 N GLY A 82 -79.105 -65.408 -19.818 1.00 60.59 N +ATOM 543 CA GLY A 82 -80.031 -65.672 -20.917 1.00 61.66 C +ATOM 544 C GLY A 82 -81.477 -65.819 -20.434 1.00 63.33 C +ATOM 545 O GLY A 82 -81.715 -66.240 -19.295 1.00 61.92 O +ATOM 546 N PRO A 83 -82.471 -65.484 -21.277 1.00 62.96 N +ATOM 547 CA PRO A 83 -83.870 -65.601 -20.916 1.00 65.98 C +ATOM 548 C PRO A 83 -84.212 -67.058 -20.572 1.00 65.49 C +ATOM 549 O PRO A 83 -83.612 -68.009 -21.082 1.00 64.05 O +ATOM 550 CB PRO A 83 -84.660 -65.079 -22.124 1.00 64.62 C +ATOM 551 CG PRO A 83 -83.706 -65.319 -23.294 1.00 62.06 C +ATOM 552 CD PRO A 83 -82.327 -65.089 -22.675 1.00 64.47 C +ATOM 553 N ARG A 84 -85.172 -67.225 -19.708 1.00 63.25 N +ATOM 554 CA ARG A 84 -85.692 -68.567 -19.409 1.00 67.15 C +ATOM 555 C ARG A 84 -86.323 -69.145 -20.669 1.00 66.05 C +ATOM 556 O ARG A 84 -87.081 -68.464 -21.336 1.00 63.27 O +ATOM 557 CB ARG A 84 -86.693 -68.468 -18.254 1.00 64.79 C +ATOM 558 CG ARG A 84 -87.223 -69.834 -17.828 1.00 60.31 C +ATOM 559 CD ARG A 84 -88.172 -69.688 -16.642 1.00 60.70 C +ATOM 560 NE ARG A 84 -88.710 -70.973 -16.207 1.00 58.64 N +ATOM 561 CZ ARG A 84 -89.476 -71.181 -15.159 1.00 52.98 C +ATOM 562 NH1 ARG A 84 -89.845 -70.210 -14.372 1.00 53.07 N +ATOM 563 NH2 ARG A 84 -89.900 -72.377 -14.879 1.00 52.14 N +ATOM 564 N GLY A 85 -86.016 -70.393 -20.964 1.00 59.06 N +ATOM 565 CA GLY A 85 -86.631 -71.091 -22.089 1.00 60.05 C +ATOM 566 C GLY A 85 -88.152 -71.069 -22.012 1.00 62.60 C +ATOM 567 O GLY A 85 -88.738 -71.126 -20.925 1.00 60.74 O +ATOM 568 N GLU A 86 -88.786 -70.970 -23.160 1.00 55.36 N +ATOM 569 CA GLU A 86 -90.246 -70.978 -23.252 1.00 60.38 C +ATOM 570 C GLU A 86 -90.829 -72.289 -22.701 1.00 59.31 C +ATOM 571 O GLU A 86 -90.209 -73.360 -22.750 1.00 58.43 O +ATOM 572 CB GLU A 86 -90.705 -70.738 -24.697 1.00 59.13 C +ATOM 573 CG GLU A 86 -90.302 -69.343 -25.214 1.00 54.73 C +ATOM 574 CD GLU A 86 -90.895 -69.008 -26.604 1.00 51.82 C +ATOM 575 OE1 GLU A 86 -90.886 -67.805 -26.949 1.00 49.78 O +ATOM 576 OE2 GLU A 86 -91.365 -69.951 -27.284 1.00 48.49 O +ATOM 577 N GLN A 87 -92.018 -72.193 -22.145 1.00 60.57 N +ATOM 578 CA GLN A 87 -92.726 -73.394 -21.701 1.00 63.16 C +ATOM 579 C GLN A 87 -93.058 -74.265 -22.918 1.00 61.39 C +ATOM 580 O GLN A 87 -93.558 -73.771 -23.918 1.00 58.83 O +ATOM 581 CB GLN A 87 -93.974 -72.982 -20.910 1.00 62.45 C +ATOM 582 CG GLN A 87 -94.706 -74.188 -20.326 1.00 59.49 C +ATOM 583 CD GLN A 87 -95.900 -73.817 -19.449 1.00 57.59 C +ATOM 584 OE1 GLN A 87 -96.163 -72.676 -19.121 1.00 58.43 O +ATOM 585 NE2 GLN A 87 -96.681 -74.787 -19.017 1.00 54.04 N +ATOM 586 N GLY A 88 -92.794 -75.555 -22.807 1.00 57.65 N +ATOM 587 CA GLY A 88 -93.148 -76.492 -23.864 1.00 58.19 C +ATOM 588 C GLY A 88 -94.643 -76.462 -24.175 1.00 58.90 C +ATOM 589 O GLY A 88 -95.460 -76.204 -23.284 1.00 57.07 O +ATOM 590 N PRO A 89 -95.033 -76.694 -25.442 1.00 58.67 N +ATOM 591 CA PRO A 89 -96.431 -76.682 -25.840 1.00 61.56 C +ATOM 592 C PRO A 89 -97.235 -77.705 -25.030 1.00 59.88 C +ATOM 593 O PRO A 89 -96.730 -78.763 -24.636 1.00 58.22 O +ATOM 594 CB PRO A 89 -96.440 -76.984 -27.346 1.00 61.01 C +ATOM 595 CG PRO A 89 -95.149 -77.766 -27.556 1.00 58.62 C +ATOM 596 CD PRO A 89 -94.181 -77.133 -26.545 1.00 60.79 C +ATOM 597 N GLN A 90 -98.471 -77.371 -24.798 1.00 57.41 N +ATOM 598 CA GLN A 90 -99.379 -78.314 -24.157 1.00 60.51 C +ATOM 599 C GLN A 90 -99.538 -79.573 -25.027 1.00 58.37 C +ATOM 600 O GLN A 90 -99.689 -79.481 -26.239 1.00 56.26 O +ATOM 601 CB GLN A 90 -100.726 -77.617 -23.906 1.00 60.14 C +ATOM 602 CG GLN A 90 -101.708 -78.493 -23.104 1.00 57.08 C +ATOM 603 CD GLN A 90 -103.007 -77.781 -22.753 1.00 55.81 C +ATOM 604 OE1 GLN A 90 -103.212 -76.604 -22.971 1.00 55.38 O +ATOM 605 NE2 GLN A 90 -103.965 -78.482 -22.168 1.00 51.05 N +ATOM 606 N GLY A 91 -99.486 -80.738 -24.394 1.00 53.61 N +ATOM 607 CA GLY A 91 -99.718 -81.996 -25.098 1.00 54.61 C +ATOM 608 C GLY A 91 -101.060 -81.998 -25.825 1.00 55.01 C +ATOM 609 O GLY A 91 -102.052 -81.445 -25.330 1.00 53.17 O +ATOM 610 N LEU A 92 -101.095 -82.580 -26.997 1.00 55.33 N +ATOM 611 CA LEU A 92 -102.330 -82.695 -27.761 1.00 58.75 C +ATOM 612 C LEU A 92 -103.383 -83.487 -26.965 1.00 57.62 C +ATOM 613 O LEU A 92 -103.026 -84.412 -26.220 1.00 56.51 O +ATOM 614 CB LEU A 92 -102.051 -83.363 -29.124 1.00 57.76 C +ATOM 615 CG LEU A 92 -101.140 -82.548 -30.068 1.00 55.14 C +ATOM 616 CD1 LEU A 92 -100.844 -83.355 -31.328 1.00 53.53 C +ATOM 617 CD2 LEU A 92 -101.771 -81.224 -30.475 1.00 52.28 C +ATOM 618 N PRO A 93 -104.656 -83.166 -27.148 1.00 59.43 N +ATOM 619 CA PRO A 93 -105.712 -83.971 -26.550 1.00 61.64 C +ATOM 620 C PRO A 93 -105.563 -85.443 -26.944 1.00 59.28 C +ATOM 621 O PRO A 93 -105.249 -85.749 -28.096 1.00 58.24 O +ATOM 622 CB PRO A 93 -107.041 -83.384 -27.065 1.00 62.15 C +ATOM 623 CG PRO A 93 -106.696 -81.948 -27.427 1.00 59.12 C +ATOM 624 CD PRO A 93 -105.257 -82.032 -27.894 1.00 62.22 C +ATOM 625 N GLY A 94 -105.802 -86.307 -25.995 1.00 53.93 N +ATOM 626 CA GLY A 94 -105.824 -87.733 -26.278 1.00 55.18 C +ATOM 627 C GLY A 94 -106.805 -88.065 -27.397 1.00 55.51 C +ATOM 628 O GLY A 94 -107.874 -87.453 -27.514 1.00 53.91 O +ATOM 629 N ALA A 95 -106.464 -89.022 -28.216 1.00 53.24 N +ATOM 630 CA ALA A 95 -107.350 -89.475 -29.274 1.00 57.02 C +ATOM 631 C ALA A 95 -108.688 -89.943 -28.675 1.00 56.89 C +ATOM 632 O ALA A 95 -108.735 -90.544 -27.596 1.00 55.29 O +ATOM 633 CB ALA A 95 -106.645 -90.588 -30.076 1.00 55.47 C +ATOM 634 N ARG A 96 -109.740 -89.639 -29.387 1.00 56.35 N +ATOM 635 CA ARG A 96 -111.062 -90.130 -28.994 1.00 59.77 C +ATOM 636 C ARG A 96 -111.043 -91.659 -28.979 1.00 57.74 C +ATOM 637 O ARG A 96 -110.566 -92.264 -29.926 1.00 55.77 O +ATOM 638 CB ARG A 96 -112.125 -89.575 -29.943 1.00 58.93 C +ATOM 639 CG ARG A 96 -113.547 -89.934 -29.507 1.00 53.38 C +ATOM 640 CD ARG A 96 -114.583 -89.286 -30.428 1.00 54.08 C +ATOM 641 NE ARG A 96 -115.948 -89.567 -29.992 1.00 52.80 N +ATOM 642 CZ ARG A 96 -117.050 -89.077 -30.491 1.00 47.33 C +ATOM 643 NH1 ARG A 96 -117.048 -88.282 -31.535 1.00 48.05 N +ATOM 644 NH2 ARG A 96 -118.213 -89.368 -29.970 1.00 46.97 N +ATOM 645 N GLY A 97 -111.579 -92.225 -27.923 1.00 54.48 N +ATOM 646 CA GLY A 97 -111.708 -93.675 -27.825 1.00 55.96 C +ATOM 647 C GLY A 97 -112.420 -94.260 -29.044 1.00 56.80 C +ATOM 648 O GLY A 97 -113.388 -93.686 -29.557 1.00 54.89 O +ATOM 649 N GLU A 98 -111.924 -95.350 -29.505 1.00 48.40 N +ATOM 650 CA GLU A 98 -112.537 -96.046 -30.626 1.00 51.73 C +ATOM 651 C GLU A 98 -113.972 -96.456 -30.292 1.00 50.62 C +ATOM 652 O GLU A 98 -114.316 -96.758 -29.140 1.00 50.22 O +ATOM 653 CB GLU A 98 -111.696 -97.262 -31.051 1.00 51.72 C +ATOM 654 CG GLU A 98 -110.307 -96.859 -31.589 1.00 48.14 C +ATOM 655 CD GLU A 98 -109.519 -98.027 -32.208 1.00 46.22 C +ATOM 656 OE1 GLU A 98 -108.552 -97.738 -32.953 1.00 44.66 O +ATOM 657 OE2 GLU A 98 -109.899 -99.186 -31.937 1.00 44.20 O +ATOM 658 N ARG A 99 -114.781 -96.389 -31.307 1.00 53.79 N +ATOM 659 CA ARG A 99 -116.164 -96.846 -31.149 1.00 55.56 C +ATOM 660 C ARG A 99 -116.150 -98.334 -30.783 1.00 52.56 C +ATOM 661 O ARG A 99 -115.519 -99.133 -31.466 1.00 51.70 O +ATOM 662 CB ARG A 99 -116.961 -96.564 -32.432 1.00 56.36 C +ATOM 663 CG ARG A 99 -118.404 -97.090 -32.365 1.00 51.59 C +ATOM 664 CD ARG A 99 -119.195 -96.803 -33.650 1.00 52.33 C +ATOM 665 NE ARG A 99 -119.937 -95.534 -33.592 1.00 51.34 N +ATOM 666 CZ ARG A 99 -120.650 -94.989 -34.545 1.00 45.76 C +ATOM 667 NH1 ARG A 99 -120.730 -95.521 -35.731 1.00 47.53 N +ATOM 668 NH2 ARG A 99 -121.310 -93.882 -34.332 1.00 46.17 N +ATOM 669 N GLY A 100 -116.905 -98.689 -29.742 1.00 53.15 N +ATOM 670 CA GLY A 100 -117.077-100.084 -29.359 1.00 53.51 C +ATOM 671 C GLY A 100 -117.581-100.943 -30.534 1.00 52.62 C +ATOM 672 O GLY A 100 -118.418-100.492 -31.319 1.00 50.90 O +ATOM 673 N PHE A 101 -117.109-102.173 -30.675 1.00 48.85 N +ATOM 674 CA PHE A 101 -117.541-103.095 -31.719 1.00 51.50 C +ATOM 675 C PHE A 101 -119.045-103.391 -31.595 1.00 49.65 C +ATOM 676 O PHE A 101 -119.565-103.473 -30.478 1.00 49.30 O +ATOM 677 CB PHE A 101 -116.703-104.390 -31.655 1.00 51.58 C +ATOM 678 CG PHE A 101 -115.251-104.207 -32.042 1.00 49.56 C +ATOM 679 CD1 PHE A 101 -114.863-104.171 -33.401 1.00 47.34 C +ATOM 680 CD2 PHE A 101 -114.261-104.033 -31.046 1.00 45.76 C +ATOM 681 CE1 PHE A 101 -113.529-103.984 -33.765 1.00 42.16 C +ATOM 682 CE2 PHE A 101 -112.917-103.837 -31.414 1.00 44.01 C +ATOM 683 CZ PHE A 101 -112.551-103.811 -32.769 1.00 44.14 C +ATOM 684 N PRO A 102 -119.705-103.497 -32.732 1.00 51.12 N +ATOM 685 CA PRO A 102 -121.101-103.911 -32.699 1.00 52.17 C +ATOM 686 C PRO A 102 -121.241-105.229 -31.926 1.00 49.96 C +ATOM 687 O PRO A 102 -120.502-106.178 -32.185 1.00 50.02 O +ATOM 688 CB PRO A 102 -121.541-104.062 -34.163 1.00 53.17 C +ATOM 689 CG PRO A 102 -120.551-103.219 -34.952 1.00 51.06 C +ATOM 690 CD PRO A 102 -119.274-103.314 -34.133 1.00 53.68 C +ATOM 691 N GLY A 103 -122.214-105.274 -31.028 1.00 48.25 N +ATOM 692 CA GLY A 103 -122.522-106.497 -30.301 1.00 50.08 C +ATOM 693 C GLY A 103 -122.929-107.622 -31.259 1.00 49.81 C +ATOM 694 O GLY A 103 -123.591-107.383 -32.274 1.00 48.32 O +ATOM 695 N GLU A 104 -122.567-108.836 -30.956 1.00 43.24 N +ATOM 696 CA GLU A 104 -122.932-110.011 -31.734 1.00 46.40 C +ATOM 697 C GLU A 104 -124.450-110.185 -31.808 1.00 46.02 C +ATOM 698 O GLU A 104 -125.191-109.978 -30.849 1.00 45.85 O +ATOM 699 CB GLU A 104 -122.255-111.283 -31.179 1.00 46.30 C +ATOM 700 CG GLU A 104 -120.736-111.276 -31.385 1.00 41.62 C +ATOM 701 CD GLU A 104 -120.080-112.622 -31.038 1.00 38.90 C +ATOM 702 OE1 GLU A 104 -118.991-112.900 -31.600 1.00 36.68 O +ATOM 703 OE2 GLU A 104 -120.677-113.372 -30.230 1.00 37.55 O +ATOM 704 N ARG A 105 -124.869-110.533 -32.959 1.00 45.37 N +ATOM 705 CA ARG A 105 -126.279-110.714 -33.245 1.00 47.37 C +ATOM 706 C ARG A 105 -126.800-111.939 -32.514 1.00 46.37 C +ATOM 707 O ARG A 105 -126.612-113.059 -32.981 1.00 45.88 O +ATOM 708 CB ARG A 105 -126.447-110.798 -34.770 1.00 47.43 C +ATOM 709 CG ARG A 105 -127.916-110.834 -35.234 1.00 41.60 C +ATOM 710 CD ARG A 105 -127.942-110.933 -36.751 1.00 40.06 C +ATOM 711 NE ARG A 105 -129.302-111.019 -37.276 1.00 37.96 N +ATOM 712 CZ ARG A 105 -129.636-111.181 -38.542 1.00 35.43 C +ATOM 713 NH1 ARG A 105 -128.742-111.279 -39.490 1.00 36.81 N +ATOM 714 NH2 ARG A 105 -130.898-111.263 -38.901 1.00 35.52 N +ATOM 715 N GLY A 106 -127.529-111.736 -31.403 1.00 44.30 N +ATOM 716 CA GLY A 106 -128.084-112.865 -30.691 1.00 45.90 C +ATOM 717 C GLY A 106 -129.070-112.567 -29.569 1.00 45.27 C +ATOM 718 O GLY A 106 -129.859-113.442 -29.217 1.00 43.59 O +ATOM 719 N VAL A 107 -129.111-111.412 -29.065 1.00 42.86 N +ATOM 720 CA VAL A 107 -130.155-110.877 -28.184 1.00 46.75 C +ATOM 721 C VAL A 107 -130.177-109.364 -28.343 1.00 45.96 C +ATOM 722 O VAL A 107 -129.130-108.729 -28.448 1.00 45.15 O +ATOM 723 CB VAL A 107 -129.966-111.268 -26.695 1.00 46.56 C +ATOM 724 CG1 VAL A 107 -130.537-112.632 -26.390 1.00 42.59 C +ATOM 725 CG2 VAL A 107 -128.514-111.212 -26.214 1.00 42.99 C +ATOM 726 N GLN A 108 -131.390-108.808 -28.422 1.00 45.98 N +ATOM 727 CA GLN A 108 -131.527-107.358 -28.584 1.00 49.63 C +ATOM 728 C GLN A 108 -130.994-106.641 -27.342 1.00 50.81 C +ATOM 729 O GLN A 108 -131.723-106.359 -26.400 1.00 49.01 O +ATOM 730 CB GLN A 108 -132.991-107.056 -28.914 1.00 47.69 C +ATOM 731 CG GLN A 108 -133.189-105.640 -29.505 1.00 42.63 C +ATOM 732 CD GLN A 108 -134.625-105.407 -29.963 1.00 38.75 C +ATOM 733 OE1 GLN A 108 -135.553-106.126 -29.655 1.00 36.96 O +ATOM 734 NE2 GLN A 108 -134.876-104.378 -30.748 1.00 35.71 N +ATOM 735 N SER A 109 -129.758-106.484 -27.305 1.00 45.29 N +ATOM 736 CA SER A 109 -129.095-105.729 -26.245 1.00 47.82 C +ATOM 737 C SER A 109 -129.184-104.242 -26.543 1.00 47.26 C +ATOM 738 O SER A 109 -129.139-103.854 -27.719 1.00 45.49 O +ATOM 739 CB SER A 109 -127.638-106.175 -26.127 1.00 46.21 C +ATOM 740 OG SER A 109 -127.600-107.554 -25.797 1.00 41.21 O +ATOM 741 N PRO A 110 -129.404-103.442 -25.544 1.00 47.78 N +ATOM 742 CA PRO A 110 -129.399-102.005 -25.744 1.00 50.31 C +ATOM 743 C PRO A 110 -128.112-101.573 -26.443 1.00 48.75 C +ATOM 744 O PRO A 110 -127.085-102.241 -26.278 1.00 48.92 O +ATOM 745 CB PRO A 110 -129.578-101.397 -24.350 1.00 51.64 C +ATOM 746 CG PRO A 110 -129.037-102.476 -23.430 1.00 50.96 C +ATOM 747 CD PRO A 110 -129.393-103.764 -24.130 1.00 53.03 C +ATOM 748 N PRO A 111 -128.181-100.501 -27.215 1.00 49.97 N +ATOM 749 CA PRO A 111 -126.975 -99.985 -27.834 1.00 51.95 C +ATOM 750 C PRO A 111 -125.872 -99.854 -26.795 1.00 50.49 C +ATOM 751 O PRO A 111 -126.115 -99.383 -25.682 1.00 50.85 O +ATOM 752 CB PRO A 111 -127.349 -98.631 -28.445 1.00 53.15 C +ATOM 753 CG PRO A 111 -128.850 -98.715 -28.642 1.00 51.01 C +ATOM 754 CD PRO A 111 -129.320 -99.608 -27.521 1.00 53.98 C +ATOM 755 N GLY A 112 -124.739-100.299 -27.165 1.00 47.23 N +ATOM 756 CA GLY A 112 -123.573-100.087 -26.328 1.00 49.62 C +ATOM 757 C GLY A 112 -123.411 -98.602 -26.041 1.00 49.55 C +ATOM 758 O GLY A 112 -123.653 -97.765 -26.912 1.00 48.20 O +ATOM 759 N LYS A 113 -123.085 -98.275 -24.811 1.00 48.46 N +ATOM 760 CA LYS A 113 -122.784 -96.883 -24.459 1.00 53.51 C +ATOM 761 C LYS A 113 -121.623 -96.391 -25.306 1.00 52.78 C +ATOM 762 O LYS A 113 -120.704 -97.145 -25.595 1.00 52.77 O +ATOM 763 CB LYS A 113 -122.470 -96.770 -22.962 1.00 53.22 C +ATOM 764 CG LYS A 113 -123.654 -97.140 -22.061 1.00 49.85 C +ATOM 765 CD LYS A 113 -123.278 -96.982 -20.595 1.00 49.00 C +ATOM 766 CE LYS A 113 -124.424 -97.394 -19.675 1.00 45.95 C +ATOM 767 NZ LYS A 113 -124.029 -97.305 -18.251 1.00 41.48 N +ATOM 768 N ASP A 114 -121.742 -95.159 -25.703 1.00 51.61 N +ATOM 769 CA ASP A 114 -120.601 -94.537 -26.356 1.00 55.57 C +ATOM 770 C ASP A 114 -119.357 -94.689 -25.484 1.00 54.33 C +ATOM 771 O ASP A 114 -119.411 -94.562 -24.257 1.00 53.00 O +ATOM 772 CB ASP A 114 -120.881 -93.052 -26.663 1.00 54.43 C +ATOM 773 CG ASP A 114 -121.908 -92.821 -27.767 1.00 50.97 C +ATOM 774 OD1 ASP A 114 -122.052 -93.693 -28.640 1.00 49.18 O +ATOM 775 OD2 ASP A 114 -122.532 -91.745 -27.753 1.00 48.53 O +ATOM 776 N GLY A 115 -118.305 -95.029 -26.117 1.00 49.56 N +ATOM 777 CA GLY A 115 -117.033 -95.114 -25.421 1.00 52.09 C +ATOM 778 C GLY A 115 -116.728 -93.793 -24.709 1.00 51.44 C +ATOM 779 O GLY A 115 -117.024 -92.715 -25.240 1.00 49.94 O +ATOM 780 N GLU A 116 -116.232 -93.919 -23.556 1.00 48.67 N +ATOM 781 CA GLU A 116 -115.832 -92.725 -22.812 1.00 51.92 C +ATOM 782 C GLU A 116 -114.819 -91.903 -23.613 1.00 49.80 C +ATOM 783 O GLU A 116 -113.988 -92.430 -24.358 1.00 50.33 O +ATOM 784 CB GLU A 116 -115.282 -93.101 -21.421 1.00 52.55 C +ATOM 785 CG GLU A 116 -116.365 -93.711 -20.523 1.00 49.10 C +ATOM 786 CD GLU A 116 -115.918 -93.973 -19.070 1.00 47.52 C +ATOM 787 OE1 GLU A 116 -116.825 -94.114 -18.212 1.00 46.79 O +ATOM 788 OE2 GLU A 116 -114.687 -94.027 -18.828 1.00 46.38 O +ATOM 789 N ALA A 117 -114.956 -90.619 -23.502 1.00 57.35 N +ATOM 790 CA ALA A 117 -113.973 -89.750 -24.131 1.00 58.93 C +ATOM 791 C ALA A 117 -112.573 -90.079 -23.604 1.00 57.26 C +ATOM 792 O ALA A 117 -112.385 -90.261 -22.404 1.00 55.16 O +ATOM 793 CB ALA A 117 -114.352 -88.277 -23.879 1.00 57.60 C +ATOM 794 N GLY A 118 -111.698 -90.179 -24.508 1.00 49.75 N +ATOM 795 CA GLY A 118 -110.314 -90.416 -24.126 1.00 51.73 C +ATOM 796 C GLY A 118 -109.844 -89.367 -23.114 1.00 51.69 C +ATOM 797 O GLY A 118 -110.196 -88.186 -23.215 1.00 50.24 O +ATOM 798 N ALA A 119 -109.127 -89.826 -22.159 1.00 49.74 N +ATOM 799 CA ALA A 119 -108.547 -88.908 -21.179 1.00 53.08 C +ATOM 800 C ALA A 119 -107.710 -87.822 -21.886 1.00 52.02 C +ATOM 801 O ALA A 119 -107.048 -88.071 -22.896 1.00 51.57 O +ATOM 802 CB ALA A 119 -107.713 -89.718 -20.177 1.00 52.68 C +ATOM 803 N GLN A 120 -107.760 -86.614 -21.350 1.00 53.21 N +ATOM 804 CA GLN A 120 -106.912 -85.536 -21.859 1.00 56.72 C +ATOM 805 C GLN A 120 -105.438 -85.946 -21.753 1.00 55.57 C +ATOM 806 O GLN A 120 -105.002 -86.442 -20.714 1.00 54.18 O +ATOM 807 CB GLN A 120 -107.218 -84.239 -21.082 1.00 56.32 C +ATOM 808 CG GLN A 120 -106.440 -83.033 -21.635 1.00 52.49 C +ATOM 809 CD GLN A 120 -106.820 -81.716 -20.952 1.00 51.48 C +ATOM 810 OE1 GLN A 120 -107.650 -81.634 -20.065 1.00 51.81 O +ATOM 811 NE2 GLN A 120 -106.226 -80.612 -21.354 1.00 47.83 N +ATOM 812 N GLY A 121 -104.749 -85.769 -22.804 1.00 49.95 N +ATOM 813 CA GLY A 121 -103.319 -86.040 -22.804 1.00 52.37 C +ATOM 814 C GLY A 121 -102.596 -85.253 -21.710 1.00 52.50 C +ATOM 815 O GLY A 121 -103.023 -84.142 -21.362 1.00 51.42 O +ATOM 816 N PRO A 122 -101.563 -85.807 -21.178 1.00 52.48 N +ATOM 817 CA PRO A 122 -100.783 -85.098 -20.177 1.00 55.22 C +ATOM 818 C PRO A 122 -100.253 -83.771 -20.741 1.00 53.26 C +ATOM 819 O PRO A 122 -100.023 -83.631 -21.945 1.00 53.24 O +ATOM 820 CB PRO A 122 -99.654 -86.050 -19.783 1.00 56.11 C +ATOM 821 CG PRO A 122 -99.475 -86.927 -21.025 1.00 55.12 C +ATOM 822 CD PRO A 122 -100.902 -87.037 -21.555 1.00 57.23 C +ATOM 823 N ALA A 123 -100.059 -82.805 -19.868 1.00 57.56 N +ATOM 824 CA ALA A 123 -99.398 -81.568 -20.270 1.00 59.43 C +ATOM 825 C ALA A 123 -98.003 -81.857 -20.833 1.00 58.25 C +ATOM 826 O ALA A 123 -97.282 -82.709 -20.314 1.00 56.28 O +ATOM 827 CB ALA A 123 -99.340 -80.613 -19.066 1.00 58.49 C +ATOM 828 N GLY A 124 -97.687 -81.196 -21.877 1.00 52.98 N +ATOM 829 CA GLY A 124 -96.357 -81.299 -22.457 1.00 54.99 C +ATOM 830 C GLY A 124 -95.267 -80.972 -21.426 1.00 55.51 C +ATOM 831 O GLY A 124 -95.511 -80.190 -20.498 1.00 54.23 O +ATOM 832 N PRO A 125 -94.131 -81.558 -21.585 1.00 52.61 N +ATOM 833 CA PRO A 125 -93.026 -81.263 -20.684 1.00 56.04 C +ATOM 834 C PRO A 125 -92.675 -79.774 -20.721 1.00 54.28 C +ATOM 835 O PRO A 125 -92.838 -79.091 -21.740 1.00 54.23 O +ATOM 836 CB PRO A 125 -91.862 -82.149 -21.156 1.00 56.69 C +ATOM 837 CG PRO A 125 -92.152 -82.357 -22.641 1.00 55.10 C +ATOM 838 CD PRO A 125 -93.683 -82.395 -22.682 1.00 57.24 C +ATOM 839 N MET A 126 -92.196 -79.272 -19.604 1.00 57.15 N +ATOM 840 CA MET A 126 -91.665 -77.909 -19.558 1.00 59.30 C +ATOM 841 C MET A 126 -90.475 -77.783 -20.514 1.00 58.87 C +ATOM 842 O MET A 126 -89.626 -78.670 -20.550 1.00 56.64 O +ATOM 843 CB MET A 126 -91.270 -77.575 -18.116 1.00 58.00 C +ATOM 844 CG MET A 126 -90.933 -76.091 -17.932 1.00 53.23 C +ATOM 845 SD MET A 126 -90.672 -75.620 -16.196 1.00 51.38 S +ATOM 846 CE MET A 126 -89.064 -76.396 -15.902 1.00 50.21 C +ATOM 847 N GLY A 127 -90.453 -76.713 -21.259 1.00 54.96 N +ATOM 848 CA GLY A 127 -89.324 -76.423 -22.130 1.00 56.69 C +ATOM 849 C GLY A 127 -88.002 -76.375 -21.360 1.00 56.90 C +ATOM 850 O GLY A 127 -88.000 -76.079 -20.156 1.00 55.60 O +ATOM 851 N PRO A 128 -86.925 -76.669 -22.014 1.00 55.28 N +ATOM 852 CA PRO A 128 -85.613 -76.593 -21.382 1.00 58.74 C +ATOM 853 C PRO A 128 -85.328 -75.173 -20.868 1.00 57.06 C +ATOM 854 O PRO A 128 -85.872 -74.186 -21.371 1.00 56.40 O +ATOM 855 CB PRO A 128 -84.606 -77.038 -22.452 1.00 58.73 C +ATOM 856 CG PRO A 128 -85.307 -76.686 -23.761 1.00 57.05 C +ATOM 857 CD PRO A 128 -86.784 -76.933 -23.434 1.00 59.30 C +ATOM 858 N ALA A 129 -84.514 -75.102 -19.872 1.00 59.88 N +ATOM 859 CA ALA A 129 -84.045 -73.792 -19.421 1.00 62.31 C +ATOM 860 C ALA A 129 -83.278 -73.083 -20.550 1.00 61.99 C +ATOM 861 O ALA A 129 -82.538 -73.716 -21.287 1.00 59.84 O +ATOM 862 CB ALA A 129 -83.177 -73.964 -18.169 1.00 60.59 C +ATOM 863 N GLY A 130 -83.472 -71.796 -20.637 1.00 56.69 N +ATOM 864 CA GLY A 130 -82.731 -70.991 -21.591 1.00 58.70 C +ATOM 865 C GLY A 130 -81.218 -71.086 -21.364 1.00 60.09 C +ATOM 866 O GLY A 130 -80.757 -71.275 -20.236 1.00 58.39 O +ATOM 867 N GLU A 131 -80.501 -70.973 -22.434 1.00 53.30 N +ATOM 868 CA GLU A 131 -79.043 -70.993 -22.367 1.00 58.54 C +ATOM 869 C GLU A 131 -78.500 -69.861 -21.490 1.00 57.43 C +ATOM 870 O GLU A 131 -79.100 -68.789 -21.347 1.00 56.43 O +ATOM 871 CB GLU A 131 -78.421 -70.952 -23.782 1.00 57.38 C +ATOM 872 CG GLU A 131 -78.789 -72.204 -24.595 1.00 52.61 C +ATOM 873 CD GLU A 131 -78.051 -72.304 -25.939 1.00 49.37 C +ATOM 874 OE1 GLU A 131 -78.033 -73.441 -26.489 1.00 47.34 O +ATOM 875 OE2 GLU A 131 -77.519 -71.262 -26.389 1.00 46.10 O +ATOM 876 N ARG A 132 -77.377 -70.128 -20.860 1.00 59.25 N +ATOM 877 CA ARG A 132 -76.709 -69.105 -20.057 1.00 63.07 C +ATOM 878 C ARG A 132 -76.175 -68.022 -20.987 1.00 61.98 C +ATOM 879 O ARG A 132 -75.520 -68.340 -21.964 1.00 59.47 O +ATOM 880 CB ARG A 132 -75.597 -69.753 -19.229 1.00 60.93 C +ATOM 881 CG ARG A 132 -74.945 -68.739 -18.283 1.00 55.15 C +ATOM 882 CD ARG A 132 -73.878 -69.445 -17.440 1.00 55.11 C +ATOM 883 NE ARG A 132 -73.274 -68.527 -16.455 1.00 53.47 N +ATOM 884 CZ ARG A 132 -72.362 -68.838 -15.555 1.00 48.42 C +ATOM 885 NH1 ARG A 132 -71.855 -70.044 -15.472 1.00 48.89 N +ATOM 886 NH2 ARG A 132 -71.942 -67.934 -14.707 1.00 47.80 N +ATOM 887 N GLY A 133 -76.434 -66.783 -20.645 1.00 58.18 N +ATOM 888 CA GLY A 133 -75.896 -65.661 -21.408 1.00 59.78 C +ATOM 889 C GLY A 133 -74.370 -65.718 -21.519 1.00 61.04 C +ATOM 890 O GLY A 133 -73.687 -66.201 -20.604 1.00 59.07 O +ATOM 891 N GLU A 134 -73.879 -65.241 -22.637 1.00 53.92 N +ATOM 892 CA GLU A 134 -72.444 -65.187 -22.887 1.00 59.81 C +ATOM 893 C GLU A 134 -71.726 -64.303 -21.860 1.00 58.96 C +ATOM 894 O GLU A 134 -72.288 -63.367 -21.275 1.00 57.64 O +ATOM 895 CB GLU A 134 -72.135 -64.713 -24.318 1.00 58.25 C +ATOM 896 CG GLU A 134 -72.650 -65.711 -25.369 1.00 53.51 C +ATOM 897 CD GLU A 134 -72.184 -65.374 -26.802 1.00 50.02 C +ATOM 898 OE1 GLU A 134 -72.222 -66.307 -27.640 1.00 48.00 O +ATOM 899 OE2 GLU A 134 -71.784 -64.210 -27.031 1.00 46.87 O +ATOM 900 N LYS A 135 -70.467 -64.644 -21.597 1.00 63.41 N +ATOM 901 CA LYS A 135 -69.636 -63.840 -20.703 1.00 67.75 C +ATOM 902 C LYS A 135 -69.368 -62.481 -21.356 1.00 66.35 C +ATOM 903 O LYS A 135 -68.993 -62.440 -22.514 1.00 64.53 O +ATOM 904 CB LYS A 135 -68.344 -64.603 -20.399 1.00 64.69 C +ATOM 905 CG LYS A 135 -67.475 -63.875 -19.372 1.00 59.63 C +ATOM 906 CD LYS A 135 -66.207 -64.670 -19.075 1.00 58.86 C +ATOM 907 CE LYS A 135 -65.338 -63.906 -18.075 1.00 56.50 C +ATOM 908 NZ LYS A 135 -64.055 -64.598 -17.823 1.00 51.15 N +ATOM 909 N GLY A 136 -69.547 -61.430 -20.612 1.00 59.16 N +ATOM 910 CA GLY A 136 -69.219 -60.096 -21.106 1.00 60.53 C +ATOM 911 C GLY A 136 -67.756 -59.991 -21.552 1.00 61.45 C +ATOM 912 O GLY A 136 -66.876 -60.628 -20.974 1.00 59.02 O +ATOM 913 N GLU A 137 -67.532 -59.186 -22.565 1.00 56.50 N +ATOM 914 CA GLU A 137 -66.182 -58.936 -23.067 1.00 62.67 C +ATOM 915 C GLU A 137 -65.296 -58.296 -21.992 1.00 60.78 C +ATOM 916 O GLU A 137 -65.777 -57.537 -21.144 1.00 59.49 O +ATOM 917 CB GLU A 137 -66.213 -58.058 -24.328 1.00 60.87 C +ATOM 918 CG GLU A 137 -66.884 -58.758 -25.525 1.00 56.66 C +ATOM 919 CD GLU A 137 -66.725 -57.971 -26.840 1.00 53.02 C +ATOM 920 OE1 GLU A 137 -66.830 -58.613 -27.914 1.00 50.47 O +ATOM 921 OE2 GLU A 137 -66.469 -56.740 -26.776 1.00 49.82 O +ATOM 922 N PRO A 138 -64.003 -58.586 -22.011 1.00 61.89 N +ATOM 923 CA PRO A 138 -63.071 -57.902 -21.131 1.00 64.76 C +ATOM 924 C PRO A 138 -63.112 -56.392 -21.353 1.00 63.08 C +ATOM 925 O PRO A 138 -63.167 -55.925 -22.489 1.00 60.99 O +ATOM 926 CB PRO A 138 -61.680 -58.465 -21.459 1.00 64.68 C +ATOM 927 CG PRO A 138 -61.982 -59.825 -22.079 1.00 61.77 C +ATOM 928 CD PRO A 138 -63.304 -59.593 -22.797 1.00 65.27 C +ATOM 929 N GLY A 139 -63.056 -55.644 -20.281 1.00 58.45 N +ATOM 930 CA GLY A 139 -62.926 -54.193 -20.376 1.00 60.50 C +ATOM 931 C GLY A 139 -61.657 -53.786 -21.130 1.00 61.39 C +ATOM 932 O GLY A 139 -60.630 -54.468 -21.088 1.00 59.27 O +ATOM 933 N THR A 140 -61.732 -52.656 -21.822 1.00 57.73 N +ATOM 934 CA THR A 140 -60.576 -52.115 -22.541 1.00 61.52 C +ATOM 935 C THR A 140 -59.451 -51.743 -21.574 1.00 59.11 C +ATOM 936 O THR A 140 -59.676 -51.357 -20.425 1.00 57.39 O +ATOM 937 CB THR A 140 -60.959 -50.910 -23.409 1.00 60.77 C +ATOM 938 OG1 THR A 140 -61.607 -49.918 -22.649 1.00 57.79 O +ATOM 939 CG2 THR A 140 -61.917 -51.301 -24.529 1.00 58.27 C +ATOM 940 N GLN A 141 -58.230 -51.911 -22.049 1.00 62.23 N +ATOM 941 CA GLN A 141 -57.081 -51.500 -21.248 1.00 66.36 C +ATOM 942 C GLN A 141 -57.106 -49.986 -21.036 1.00 64.23 C +ATOM 943 O GLN A 141 -57.333 -49.228 -21.978 1.00 60.91 O +ATOM 944 CB GLN A 141 -55.796 -51.974 -21.935 1.00 64.29 C +ATOM 945 CG GLN A 141 -54.542 -51.677 -21.088 1.00 61.27 C +ATOM 946 CD GLN A 141 -53.259 -52.239 -21.701 1.00 58.96 C +ATOM 947 OE1 GLN A 141 -53.214 -52.838 -22.755 1.00 57.45 O +ATOM 948 NE2 GLN A 141 -52.136 -52.067 -21.036 1.00 53.69 N +ATOM 949 N GLY A 142 -56.856 -49.547 -19.819 1.00 60.15 N +ATOM 950 CA GLY A 142 -56.734 -48.132 -19.519 1.00 61.49 C +ATOM 951 C GLY A 142 -55.630 -47.459 -20.340 1.00 61.87 C +ATOM 952 O GLY A 142 -54.608 -48.075 -20.654 1.00 59.45 O +ATOM 953 N ALA A 143 -55.856 -46.216 -20.698 1.00 62.17 N +ATOM 954 CA ALA A 143 -54.862 -45.435 -21.418 1.00 66.52 C +ATOM 955 C ALA A 143 -53.552 -45.345 -20.611 1.00 66.27 C +ATOM 956 O ALA A 143 -53.554 -45.309 -19.381 1.00 64.40 O +ATOM 957 CB ALA A 143 -55.435 -44.044 -21.744 1.00 63.81 C +ATOM 958 N LYS A 144 -52.423 -45.331 -21.336 1.00 68.01 N +ATOM 959 CA LYS A 144 -51.132 -45.116 -20.697 1.00 72.91 C +ATOM 960 C LYS A 144 -51.107 -43.726 -20.064 1.00 71.50 C +ATOM 961 O LYS A 144 -51.494 -42.769 -20.718 1.00 68.71 O +ATOM 962 CB LYS A 144 -50.022 -45.298 -21.733 1.00 68.89 C +ATOM 963 CG LYS A 144 -48.624 -45.199 -21.116 1.00 63.72 C +ATOM 964 CD LYS A 144 -47.548 -45.476 -22.167 1.00 63.24 C +ATOM 965 CE LYS A 144 -46.166 -45.394 -21.527 1.00 59.57 C +ATOM 966 NZ LYS A 144 -45.098 -45.706 -22.505 1.00 53.80 N +ATOM 967 N GLY A 145 -50.633 -43.632 -18.839 1.00 62.25 N +ATOM 968 CA GLY A 145 -50.483 -42.345 -18.178 1.00 64.06 C +ATOM 969 C GLY A 145 -49.549 -41.410 -18.958 1.00 65.74 C +ATOM 970 O GLY A 145 -48.604 -41.854 -19.610 1.00 63.08 O +ATOM 971 N ASP A 146 -49.844 -40.130 -18.881 1.00 63.05 N +ATOM 972 CA ASP A 146 -49.029 -39.107 -19.522 1.00 68.34 C +ATOM 973 C ASP A 146 -47.606 -39.113 -18.967 1.00 67.32 C +ATOM 974 O ASP A 146 -47.340 -39.477 -17.814 1.00 65.50 O +ATOM 975 CB ASP A 146 -49.676 -37.717 -19.366 1.00 64.87 C +ATOM 976 CG ASP A 146 -51.000 -37.601 -20.127 1.00 61.39 C +ATOM 977 OD1 ASP A 146 -51.083 -38.152 -21.253 1.00 58.94 O +ATOM 978 OD2 ASP A 146 -51.927 -36.966 -19.581 1.00 56.12 O +ATOM 979 N ARG A 147 -46.643 -38.725 -19.822 1.00 67.03 N +ATOM 980 CA ARG A 147 -45.261 -38.558 -19.378 1.00 72.00 C +ATOM 981 C ARG A 147 -45.209 -37.449 -18.330 1.00 69.74 C +ATOM 982 O ARG A 147 -45.745 -36.371 -18.569 1.00 65.34 O +ATOM 983 CB ARG A 147 -44.353 -38.270 -20.578 1.00 68.39 C +ATOM 984 CG ARG A 147 -42.902 -37.986 -20.145 1.00 64.37 C +ATOM 985 CD ARG A 147 -41.995 -37.622 -21.332 1.00 64.24 C +ATOM 986 NE ARG A 147 -41.178 -38.755 -21.794 1.00 60.68 N +ATOM 987 CZ ARG A 147 -40.306 -38.735 -22.783 1.00 55.63 C +ATOM 988 NH1 ARG A 147 -40.119 -37.677 -23.521 1.00 55.29 N +ATOM 989 NH2 ARG A 147 -39.593 -39.788 -23.045 1.00 53.39 N +ATOM 990 N GLY A 148 -44.544 -37.695 -17.239 1.00 63.38 N +ATOM 991 CA GLY A 148 -44.329 -36.668 -16.228 1.00 64.39 C +ATOM 992 C GLY A 148 -43.611 -35.447 -16.803 1.00 65.44 C +ATOM 993 O GLY A 148 -42.755 -35.568 -17.678 1.00 62.85 O +ATOM 994 N GLU A 149 -43.978 -34.282 -16.302 1.00 59.76 N +ATOM 995 CA GLU A 149 -43.342 -33.034 -16.699 1.00 65.53 C +ATOM 996 C GLU A 149 -41.846 -33.048 -16.362 1.00 63.39 C +ATOM 997 O GLU A 149 -41.389 -33.648 -15.380 1.00 61.92 O +ATOM 998 CB GLU A 149 -44.024 -31.831 -16.046 1.00 63.38 C +ATOM 999 CG GLU A 149 -45.487 -31.659 -16.522 1.00 58.95 C +ATOM 1000 CD GLU A 149 -46.149 -30.366 -16.000 1.00 56.36 C +ATOM 1001 OE1 GLU A 149 -47.188 -29.983 -16.581 1.00 53.87 O +ATOM 1002 OE2 GLU A 149 -45.599 -29.766 -15.044 1.00 53.31 O +ATOM 1003 N THR A 150 -41.067 -32.391 -17.216 1.00 71.79 N +ATOM 1004 CA THR A 150 -39.643 -32.210 -16.953 1.00 72.63 C +ATOM 1005 C THR A 150 -39.477 -31.357 -15.702 1.00 70.23 C +ATOM 1006 O THR A 150 -40.095 -30.300 -15.588 1.00 66.32 O +ATOM 1007 CB THR A 150 -38.936 -31.555 -18.149 1.00 70.42 C +ATOM 1008 OG1 THR A 150 -39.139 -32.339 -19.303 1.00 66.46 O +ATOM 1009 CG2 THR A 150 -37.426 -31.443 -17.963 1.00 66.56 C +ATOM 1010 N GLY A 151 -38.656 -31.803 -14.782 1.00 64.18 N +ATOM 1011 CA GLY A 151 -38.382 -31.040 -13.573 1.00 64.82 C +ATOM 1012 C GLY A 151 -37.817 -29.651 -13.888 1.00 65.50 C +ATOM 1013 O GLY A 151 -37.148 -29.469 -14.903 1.00 63.76 O +ATOM 1014 N PRO A 152 -38.075 -28.678 -13.029 1.00 63.29 N +ATOM 1015 CA PRO A 152 -37.556 -27.336 -13.229 1.00 66.64 C +ATOM 1016 C PRO A 152 -36.027 -27.341 -13.272 1.00 65.41 C +ATOM 1017 O PRO A 152 -35.362 -28.165 -12.633 1.00 64.06 O +ATOM 1018 CB PRO A 152 -38.110 -26.493 -12.073 1.00 64.94 C +ATOM 1019 CG PRO A 152 -38.343 -27.524 -10.966 1.00 62.36 C +ATOM 1020 CD PRO A 152 -38.763 -28.773 -11.748 1.00 64.35 C +ATOM 1021 N VAL A 153 -35.467 -26.393 -14.016 1.00 72.41 N +ATOM 1022 CA VAL A 153 -34.017 -26.167 -14.025 1.00 74.42 C +ATOM 1023 C VAL A 153 -33.568 -25.825 -12.606 1.00 73.60 C +ATOM 1024 O VAL A 153 -34.191 -24.993 -11.940 1.00 70.63 O +ATOM 1025 CB VAL A 153 -33.632 -25.065 -15.031 1.00 71.10 C +ATOM 1026 CG1 VAL A 153 -32.128 -24.781 -15.041 1.00 65.24 C +ATOM 1027 CG2 VAL A 153 -34.032 -25.458 -16.454 1.00 67.72 C +ATOM 1028 N GLY A 154 -32.506 -26.468 -12.158 1.00 64.69 N +ATOM 1029 CA GLY A 154 -31.940 -26.184 -10.850 1.00 66.01 C +ATOM 1030 C GLY A 154 -31.548 -24.709 -10.703 1.00 67.02 C +ATOM 1031 O GLY A 154 -31.215 -24.052 -11.694 1.00 65.65 O +ATOM 1032 N PRO A 155 -31.587 -24.183 -9.486 1.00 63.45 N +ATOM 1033 CA PRO A 155 -31.192 -22.805 -9.247 1.00 66.96 C +ATOM 1034 C PRO A 155 -29.752 -22.587 -9.718 1.00 66.38 C +ATOM 1035 O PRO A 155 -28.899 -23.476 -9.648 1.00 64.34 O +ATOM 1036 CB PRO A 155 -31.373 -22.574 -7.745 1.00 65.14 C +ATOM 1037 CG PRO A 155 -31.237 -23.972 -7.145 1.00 62.53 C +ATOM 1038 CD PRO A 155 -31.844 -24.865 -8.230 1.00 64.54 C +ATOM 1039 N ARG A 156 -29.489 -21.382 -10.205 1.00 67.15 N +ATOM 1040 CA ARG A 156 -28.126 -20.994 -10.568 1.00 71.27 C +ATOM 1041 C ARG A 156 -27.246 -21.047 -9.326 1.00 68.77 C +ATOM 1042 O ARG A 156 -27.628 -20.500 -8.300 1.00 64.78 O +ATOM 1043 CB ARG A 156 -28.160 -19.595 -11.195 1.00 67.59 C +ATOM 1044 CG ARG A 156 -26.785 -19.164 -11.710 1.00 62.76 C +ATOM 1045 CD ARG A 156 -26.900 -17.795 -12.369 1.00 62.59 C +ATOM 1046 NE ARG A 156 -25.604 -17.356 -12.930 1.00 59.70 N +ATOM 1047 CZ ARG A 156 -25.395 -16.249 -13.611 1.00 53.87 C +ATOM 1048 NH1 ARG A 156 -26.351 -15.390 -13.851 1.00 53.79 N +ATOM 1049 NH2 ARG A 156 -24.213 -15.974 -14.079 1.00 52.19 N +ATOM 1050 N GLY A 157 -26.065 -21.638 -9.469 1.00 63.08 N +ATOM 1051 CA GLY A 157 -25.091 -21.670 -8.386 1.00 63.89 C +ATOM 1052 C GLY A 157 -24.767 -20.266 -7.871 1.00 65.30 C +ATOM 1053 O GLY A 157 -24.769 -19.294 -8.631 1.00 62.95 O +ATOM 1054 N GLU A 158 -24.525 -20.179 -6.571 1.00 58.01 N +ATOM 1055 CA GLU A 158 -24.136 -18.923 -5.947 1.00 62.54 C +ATOM 1056 C GLU A 158 -22.845 -18.389 -6.580 1.00 60.94 C +ATOM 1057 O GLU A 158 -21.990 -19.127 -7.069 1.00 59.48 O +ATOM 1058 CB GLU A 158 -23.996 -19.072 -4.427 1.00 60.83 C +ATOM 1059 CG GLU A 158 -25.363 -19.405 -3.768 1.00 56.93 C +ATOM 1060 CD GLU A 158 -25.325 -19.369 -2.232 1.00 54.60 C +ATOM 1061 OE1 GLU A 158 -26.440 -19.315 -1.655 1.00 52.17 O +ATOM 1062 OE2 GLU A 158 -24.216 -19.382 -1.667 1.00 51.56 O +ATOM 1063 N ARG A 159 -22.751 -17.068 -6.627 1.00 67.36 N +ATOM 1064 CA ARG A 159 -21.542 -16.430 -7.127 1.00 70.56 C +ATOM 1065 C ARG A 159 -20.396 -16.762 -6.179 1.00 68.28 C +ATOM 1066 O ARG A 159 -20.537 -16.516 -4.987 1.00 64.31 O +ATOM 1067 CB ARG A 159 -21.776 -14.919 -7.247 1.00 67.49 C +ATOM 1068 CG ARG A 159 -20.570 -14.189 -7.843 1.00 63.19 C +ATOM 1069 CD ARG A 159 -20.872 -12.699 -7.959 1.00 63.43 C +ATOM 1070 NE ARG A 159 -19.757 -11.963 -8.575 1.00 60.57 N +ATOM 1071 CZ ARG A 159 -19.697 -10.666 -8.794 1.00 55.46 C +ATOM 1072 NH1 ARG A 159 -20.681 -9.877 -8.463 1.00 55.56 N +ATOM 1073 NH2 ARG A 159 -18.650 -10.135 -9.355 1.00 53.93 N +ATOM 1074 N GLY A 160 -19.295 -17.244 -6.718 1.00 61.29 N +ATOM 1075 CA GLY A 160 -18.103 -17.483 -5.917 1.00 61.46 C +ATOM 1076 C GLY A 160 -17.688 -16.224 -5.149 1.00 61.91 C +ATOM 1077 O GLY A 160 -17.855 -15.102 -5.638 1.00 59.31 O +ATOM 1078 N GLU A 161 -17.184 -16.437 -3.940 1.00 55.57 N +ATOM 1079 CA GLU A 161 -16.680 -15.346 -3.119 1.00 59.82 C +ATOM 1080 C GLU A 161 -15.590 -14.575 -3.870 1.00 57.01 C +ATOM 1081 O GLU A 161 -14.816 -15.127 -4.655 1.00 56.30 O +ATOM 1082 CB GLU A 161 -16.166 -15.853 -1.763 1.00 59.63 C +ATOM 1083 CG GLU A 161 -17.301 -16.426 -0.890 1.00 55.85 C +ATOM 1084 CD GLU A 161 -16.841 -16.774 0.540 1.00 53.97 C +ATOM 1085 OE1 GLU A 161 -17.734 -16.909 1.409 1.00 52.16 O +ATOM 1086 OE2 GLU A 161 -15.615 -16.879 0.765 1.00 51.74 O +ATOM 1087 N ALA A 162 -15.567 -13.260 -3.647 1.00 67.46 N +ATOM 1088 CA ALA A 162 -14.495 -12.451 -4.202 1.00 68.64 C +ATOM 1089 C ALA A 162 -13.156 -12.925 -3.625 1.00 67.38 C +ATOM 1090 O ALA A 162 -13.041 -13.140 -2.420 1.00 63.70 O +ATOM 1091 CB ALA A 162 -14.764 -10.973 -3.902 1.00 66.17 C +ATOM 1092 N GLY A 163 -12.160 -13.085 -4.491 1.00 58.08 N +ATOM 1093 CA GLY A 163 -10.819 -13.410 -4.031 1.00 58.86 C +ATOM 1094 C GLY A 163 -10.318 -12.379 -3.008 1.00 58.41 C +ATOM 1095 O GLY A 163 -10.712 -11.210 -3.073 1.00 56.40 O +ATOM 1096 N PRO A 164 -9.462 -12.808 -2.082 1.00 56.66 N +ATOM 1097 CA PRO A 164 -8.911 -11.892 -1.095 1.00 60.30 C +ATOM 1098 C PRO A 164 -8.227 -10.709 -1.791 1.00 57.65 C +ATOM 1099 O PRO A 164 -7.649 -10.852 -2.875 1.00 56.53 O +ATOM 1100 CB PRO A 164 -7.945 -12.720 -0.245 1.00 60.72 C +ATOM 1101 CG PRO A 164 -7.545 -13.873 -1.172 1.00 59.56 C +ATOM 1102 CD PRO A 164 -8.819 -14.103 -1.989 1.00 62.07 C +ATOM 1103 N ALA A 165 -8.298 -9.543 -1.152 1.00 61.39 N +ATOM 1104 CA ALA A 165 -7.574 -8.384 -1.642 1.00 63.34 C +ATOM 1105 C ALA A 165 -6.079 -8.721 -1.769 1.00 61.07 C +ATOM 1106 O ALA A 165 -5.504 -9.377 -0.896 1.00 58.49 O +ATOM 1107 CB ALA A 165 -7.818 -7.190 -0.721 1.00 61.80 C +ATOM 1108 N GLY A 166 -5.469 -8.304 -2.874 1.00 55.19 N +ATOM 1109 CA GLY A 166 -4.030 -8.440 -3.028 1.00 57.28 C +ATOM 1110 C GLY A 166 -3.301 -7.725 -1.892 1.00 57.80 C +ATOM 1111 O GLY A 166 -3.751 -6.676 -1.440 1.00 55.74 O +ATOM 1112 N LYS A 167 -2.209 -8.321 -1.441 1.00 54.75 N +ATOM 1113 CA LYS A 167 -1.373 -7.679 -0.426 1.00 60.14 C +ATOM 1114 C LYS A 167 -0.912 -6.317 -0.941 1.00 58.49 C +ATOM 1115 O LYS A 167 -0.612 -6.174 -2.124 1.00 57.31 O +ATOM 1116 CB LYS A 167 -0.170 -8.559 -0.068 1.00 58.60 C +ATOM 1117 CG LYS A 167 -0.582 -9.875 0.607 1.00 55.14 C +ATOM 1118 CD LYS A 167 0.656 -10.689 0.983 1.00 54.27 C +ATOM 1119 CE LYS A 167 0.256 -12.016 1.631 1.00 51.09 C +ATOM 1120 NZ LYS A 167 1.443 -12.833 1.979 1.00 45.65 N +ATOM 1121 N ASP A 168 -0.854 -5.355 -0.030 1.00 58.81 N +ATOM 1122 CA ASP A 168 -0.282 -4.059 -0.348 1.00 63.05 C +ATOM 1123 C ASP A 168 1.127 -4.249 -0.911 1.00 62.02 C +ATOM 1124 O ASP A 168 1.906 -5.072 -0.414 1.00 59.19 O +ATOM 1125 CB ASP A 168 -0.262 -3.149 0.887 1.00 60.38 C +ATOM 1126 CG ASP A 168 -1.656 -2.708 1.344 1.00 56.94 C +ATOM 1127 OD1 ASP A 168 -2.560 -2.651 0.480 1.00 54.54 O +ATOM 1128 OD2 ASP A 168 -1.801 -2.424 2.549 1.00 53.85 O +ATOM 1129 N GLY A 169 1.422 -3.521 -1.985 1.00 54.88 N +ATOM 1130 CA GLY A 169 2.758 -3.553 -2.556 1.00 56.76 C +ATOM 1131 C GLY A 169 3.789 -3.084 -1.538 1.00 58.02 C +ATOM 1132 O GLY A 169 3.535 -2.165 -0.761 1.00 55.52 O +ATOM 1133 N GLU A 170 4.946 -3.723 -1.563 1.00 49.12 N +ATOM 1134 CA GLU A 170 6.047 -3.298 -0.708 1.00 53.64 C +ATOM 1135 C GLU A 170 6.376 -1.825 -0.969 1.00 52.22 C +ATOM 1136 O GLU A 170 6.336 -1.331 -2.104 1.00 51.77 O +ATOM 1137 CB GLU A 170 7.279 -4.185 -0.898 1.00 53.79 C +ATOM 1138 CG GLU A 170 7.012 -5.623 -0.426 1.00 50.29 C +ATOM 1139 CD GLU A 170 8.267 -6.528 -0.465 1.00 47.51 C +ATOM 1140 OE1 GLU A 170 8.189 -7.625 0.138 1.00 45.99 O +ATOM 1141 OE2 GLU A 170 9.266 -6.127 -1.091 1.00 45.38 O +ATOM 1142 N ARG A 171 6.671 -1.111 0.112 1.00 53.47 N +ATOM 1143 CA ARG A 171 7.101 0.277 0.002 1.00 56.76 C +ATOM 1144 C ARG A 171 8.369 0.333 -0.850 1.00 54.29 C +ATOM 1145 O ARG A 171 9.330 -0.373 -0.553 1.00 53.12 O +ATOM 1146 CB ARG A 171 7.314 0.853 1.403 1.00 56.60 C +ATOM 1147 CG ARG A 171 7.632 2.354 1.368 1.00 52.68 C +ATOM 1148 CD ARG A 171 7.772 2.886 2.787 1.00 53.09 C +ATOM 1149 NE ARG A 171 8.012 4.334 2.793 1.00 52.20 N +ATOM 1150 CZ ARG A 171 8.153 5.097 3.861 1.00 47.42 C +ATOM 1151 NH1 ARG A 171 8.112 4.603 5.068 1.00 48.36 N +ATOM 1152 NH2 ARG A 171 8.337 6.380 3.734 1.00 46.86 N +ATOM 1153 N GLY A 172 8.354 1.168 -1.875 1.00 54.83 N +ATOM 1154 CA GLY A 172 9.543 1.353 -2.702 1.00 55.62 C +ATOM 1155 C GLY A 172 10.764 1.762 -1.869 1.00 55.70 C +ATOM 1156 O GLY A 172 10.610 2.382 -0.808 1.00 53.72 O +ATOM 1157 N PRO A 173 11.964 1.415 -2.337 1.00 52.47 N +ATOM 1158 CA PRO A 173 13.180 1.767 -1.624 1.00 55.52 C +ATOM 1159 C PRO A 173 13.261 3.291 -1.443 1.00 52.81 C +ATOM 1160 O PRO A 173 12.839 4.065 -2.307 1.00 52.43 O +ATOM 1161 CB PRO A 173 14.333 1.220 -2.465 1.00 56.35 C +ATOM 1162 CG PRO A 173 13.743 1.136 -3.871 1.00 55.20 C +ATOM 1163 CD PRO A 173 12.275 0.803 -3.611 1.00 56.81 C +ATOM 1164 N VAL A 174 13.799 3.691 -0.303 1.00 58.20 N +ATOM 1165 CA VAL A 174 14.084 5.102 -0.048 1.00 61.01 C +ATOM 1166 C VAL A 174 15.078 5.583 -1.110 1.00 58.91 C +ATOM 1167 O VAL A 174 16.066 4.903 -1.381 1.00 56.51 O +ATOM 1168 CB VAL A 174 14.629 5.312 1.379 1.00 59.75 C +ATOM 1169 CG1 VAL A 174 14.942 6.781 1.674 1.00 55.34 C +ATOM 1170 CG2 VAL A 174 13.605 4.848 2.428 1.00 56.64 C +ATOM 1171 N GLY A 175 14.783 6.713 -1.719 1.00 51.95 N +ATOM 1172 CA GLY A 175 15.696 7.310 -2.684 1.00 52.90 C +ATOM 1173 C GLY A 175 17.084 7.547 -2.073 1.00 52.33 C +ATOM 1174 O GLY A 175 17.194 7.746 -0.860 1.00 51.03 O +ATOM 1175 N PRO A 176 18.142 7.514 -2.894 1.00 49.97 N +ATOM 1176 CA PRO A 176 19.488 7.763 -2.405 1.00 53.31 C +ATOM 1177 C PRO A 176 19.552 9.128 -1.713 1.00 50.98 C +ATOM 1178 O PRO A 176 18.885 10.077 -2.127 1.00 50.94 O +ATOM 1179 CB PRO A 176 20.405 7.678 -3.626 1.00 54.23 C +ATOM 1180 CG PRO A 176 19.466 8.013 -4.790 1.00 53.50 C +ATOM 1181 CD PRO A 176 18.126 7.427 -4.336 1.00 54.59 C +ATOM 1182 N ALA A 177 20.362 9.197 -0.653 1.00 52.27 N +ATOM 1183 CA ALA A 177 20.629 10.477 -0.006 1.00 55.13 C +ATOM 1184 C ALA A 177 21.193 11.473 -1.034 1.00 53.29 C +ATOM 1185 O ALA A 177 21.993 11.100 -1.892 1.00 52.06 O +ATOM 1186 CB ALA A 177 21.584 10.265 1.172 1.00 54.57 C +ATOM 1187 N GLY A 178 20.736 12.710 -0.945 1.00 49.15 N +ATOM 1188 CA GLY A 178 21.334 13.778 -1.731 1.00 50.89 C +ATOM 1189 C GLY A 178 22.835 13.885 -1.449 1.00 50.74 C +ATOM 1190 O GLY A 178 23.279 13.612 -0.333 1.00 49.30 O +ATOM 1191 N LYS A 179 23.594 14.236 -2.476 1.00 48.25 N +ATOM 1192 CA LYS A 179 25.033 14.436 -2.302 1.00 52.42 C +ATOM 1193 C LYS A 179 25.278 15.564 -1.309 1.00 50.98 C +ATOM 1194 O LYS A 179 24.560 16.565 -1.334 1.00 50.48 O +ATOM 1195 CB LYS A 179 25.710 14.751 -3.647 1.00 52.10 C +ATOM 1196 CG LYS A 179 25.638 13.568 -4.626 1.00 49.68 C +ATOM 1197 CD LYS A 179 26.351 13.925 -5.941 1.00 48.10 C +ATOM 1198 CE LYS A 179 26.252 12.761 -6.918 1.00 45.64 C +ATOM 1199 NZ LYS A 179 26.892 13.096 -8.219 1.00 41.59 N +ATOM 1200 N ASP A 180 26.293 15.390 -0.474 1.00 50.71 N +ATOM 1201 CA ASP A 180 26.719 16.445 0.434 1.00 53.89 C +ATOM 1202 C ASP A 180 27.040 17.724 -0.355 1.00 52.22 C +ATOM 1203 O ASP A 180 27.610 17.672 -1.453 1.00 51.23 O +ATOM 1204 CB ASP A 180 27.925 15.994 1.278 1.00 53.17 C +ATOM 1205 CG ASP A 180 27.601 14.831 2.226 1.00 50.91 C +ATOM 1206 OD1 ASP A 180 26.420 14.711 2.621 1.00 48.86 O +ATOM 1207 OD2 ASP A 180 28.536 14.067 2.536 1.00 47.89 O +ATOM 1208 N GLY A 181 26.628 18.846 0.199 1.00 50.06 N +ATOM 1209 CA GLY A 181 27.013 20.138 -0.355 1.00 51.64 C +ATOM 1210 C GLY A 181 28.537 20.277 -0.396 1.00 51.92 C +ATOM 1211 O GLY A 181 29.239 19.790 0.481 1.00 50.09 O +ATOM 1212 N GLN A 182 29.033 20.925 -1.439 1.00 46.90 N +ATOM 1213 CA GLN A 182 30.468 21.191 -1.516 1.00 50.91 C +ATOM 1214 C GLN A 182 30.902 22.060 -0.335 1.00 50.13 C +ATOM 1215 O GLN A 182 30.194 22.994 0.039 1.00 49.11 O +ATOM 1216 CB GLN A 182 30.832 21.856 -2.854 1.00 50.26 C +ATOM 1217 CG GLN A 182 30.633 20.896 -4.043 1.00 47.74 C +ATOM 1218 CD GLN A 182 31.026 21.500 -5.394 1.00 44.67 C +ATOM 1219 OE1 GLN A 182 31.359 22.659 -5.537 1.00 43.41 O +ATOM 1220 NE2 GLN A 182 30.985 20.725 -6.457 1.00 40.94 N +ATOM 1221 N ASN A 183 32.060 21.731 0.237 1.00 52.18 N +ATOM 1222 CA ASN A 183 32.631 22.560 1.290 1.00 54.97 C +ATOM 1223 C ASN A 183 32.805 23.999 0.786 1.00 53.61 C +ATOM 1224 O ASN A 183 33.198 24.222 -0.356 1.00 52.43 O +ATOM 1225 CB ASN A 183 33.974 21.972 1.757 1.00 53.59 C +ATOM 1226 CG ASN A 183 33.840 20.648 2.492 1.00 50.30 C +ATOM 1227 OD1 ASN A 183 32.800 20.299 3.023 1.00 48.28 O +ATOM 1228 ND2 ASN A 183 34.892 19.876 2.566 1.00 47.01 N +ATOM 1229 N GLY A 184 32.495 24.947 1.655 1.00 50.80 N +ATOM 1230 CA GLY A 184 32.810 26.340 1.366 1.00 52.31 C +ATOM 1231 C GLY A 184 34.314 26.515 1.114 1.00 52.42 C +ATOM 1232 O GLY A 184 35.131 25.840 1.730 1.00 50.74 O +ATOM 1233 N GLN A 185 34.640 27.403 0.191 1.00 46.93 N +ATOM 1234 CA GLN A 185 36.045 27.729 -0.045 1.00 51.24 C +ATOM 1235 C GLN A 185 36.669 28.318 1.222 1.00 50.94 C +ATOM 1236 O GLN A 185 36.015 29.089 1.936 1.00 49.80 O +ATOM 1237 CB GLN A 185 36.186 28.703 -1.228 1.00 50.59 C +ATOM 1238 CG GLN A 185 35.812 28.045 -2.567 1.00 47.37 C +ATOM 1239 CD GLN A 185 35.960 28.984 -3.771 1.00 44.11 C +ATOM 1240 OE1 GLN A 185 36.208 30.168 -3.679 1.00 42.63 O +ATOM 1241 NE2 GLN A 185 35.793 28.474 -4.969 1.00 40.26 N +ATOM 1242 N ASP A 186 37.921 27.959 1.463 1.00 51.27 N +ATOM 1243 CA ASP A 186 38.673 28.525 2.580 1.00 54.65 C +ATOM 1244 C ASP A 186 38.692 30.062 2.484 1.00 53.43 C +ATOM 1245 O ASP A 186 38.814 30.644 1.404 1.00 52.24 O +ATOM 1246 CB ASP A 186 40.104 27.971 2.619 1.00 53.89 C +ATOM 1247 CG ASP A 186 40.176 26.476 2.953 1.00 51.69 C +ATOM 1248 OD1 ASP A 186 39.250 25.990 3.632 1.00 49.69 O +ATOM 1249 OD2 ASP A 186 41.175 25.852 2.538 1.00 48.34 O +ATOM 1250 N GLY A 187 38.555 30.685 3.639 1.00 51.26 N +ATOM 1251 CA GLY A 187 38.708 32.134 3.708 1.00 52.73 C +ATOM 1252 C GLY A 187 40.097 32.563 3.216 1.00 52.69 C +ATOM 1253 O GLY A 187 41.093 31.893 3.477 1.00 50.81 O +ATOM 1254 N LEU A 188 40.128 33.690 2.519 1.00 47.60 N +ATOM 1255 CA LEU A 188 41.409 34.238 2.080 1.00 52.55 C +ATOM 1256 C LEU A 188 42.333 34.485 3.287 1.00 51.91 C +ATOM 1257 O LEU A 188 41.850 34.929 4.335 1.00 52.00 O +ATOM 1258 CB LEU A 188 41.192 35.547 1.292 1.00 52.60 C +ATOM 1259 CG LEU A 188 40.477 35.380 -0.061 1.00 49.57 C +ATOM 1260 CD1 LEU A 188 40.185 36.756 -0.655 1.00 48.24 C +ATOM 1261 CD2 LEU A 188 41.305 34.591 -1.070 1.00 46.92 C +ATOM 1262 N PRO A 189 43.643 34.222 3.145 1.00 51.54 N +ATOM 1263 CA PRO A 189 44.606 34.556 4.194 1.00 54.54 C +ATOM 1264 C PRO A 189 44.469 36.022 4.634 1.00 52.25 C +ATOM 1265 O PRO A 189 44.248 36.911 3.803 1.00 52.44 O +ATOM 1266 CB PRO A 189 45.997 34.269 3.600 1.00 55.59 C +ATOM 1267 CG PRO A 189 45.708 33.206 2.535 1.00 52.75 C +ATOM 1268 CD PRO A 189 44.327 33.584 2.019 1.00 53.45 C +ATOM 1269 N GLY A 190 44.587 36.246 5.932 1.00 52.62 N +ATOM 1270 CA GLY A 190 44.668 37.607 6.449 1.00 54.30 C +ATOM 1271 C GLY A 190 45.856 38.353 5.826 1.00 54.56 C +ATOM 1272 O GLY A 190 46.906 37.757 5.581 1.00 53.04 O +ATOM 1273 N LYS A 191 45.670 39.634 5.541 1.00 50.96 N +ATOM 1274 CA LYS A 191 46.778 40.456 5.044 1.00 56.43 C +ATOM 1275 C LYS A 191 47.878 40.512 6.098 1.00 55.37 C +ATOM 1276 O LYS A 191 47.576 40.639 7.287 1.00 54.96 O +ATOM 1277 CB LYS A 191 46.292 41.876 4.693 1.00 55.85 C +ATOM 1278 CG LYS A 191 45.316 41.881 3.511 1.00 52.96 C +ATOM 1279 CD LYS A 191 44.893 43.306 3.145 1.00 50.89 C +ATOM 1280 CE LYS A 191 43.910 43.268 1.973 1.00 47.99 C +ATOM 1281 NZ LYS A 191 43.447 44.616 1.595 1.00 43.09 N +ATOM 1282 N ASP A 192 49.120 40.464 5.636 1.00 54.70 N +ATOM 1283 CA ASP A 192 50.277 40.631 6.506 1.00 58.28 C +ATOM 1284 C ASP A 192 50.157 41.936 7.312 1.00 56.33 C +ATOM 1285 O ASP A 192 49.647 42.963 6.836 1.00 54.50 O +ATOM 1286 CB ASP A 192 51.581 40.589 5.691 1.00 57.00 C +ATOM 1287 CG ASP A 192 51.828 39.239 5.018 1.00 53.86 C +ATOM 1288 OD1 ASP A 192 51.355 38.217 5.562 1.00 51.45 O +ATOM 1289 OD2 ASP A 192 52.463 39.237 3.939 1.00 50.12 O +ATOM 1290 N GLY A 193 50.597 41.849 8.576 1.00 55.22 N +ATOM 1291 CA GLY A 193 50.691 43.034 9.415 1.00 56.05 C +ATOM 1292 C GLY A 193 51.631 44.066 8.782 1.00 56.11 C +ATOM 1293 O GLY A 193 52.635 43.700 8.175 1.00 54.23 O +ATOM 1294 N LYS A 194 51.284 45.338 8.903 1.00 52.85 N +ATOM 1295 CA LYS A 194 52.189 46.397 8.443 1.00 57.40 C +ATOM 1296 C LYS A 194 53.490 46.328 9.235 1.00 56.68 C +ATOM 1297 O LYS A 194 53.444 46.147 10.452 1.00 55.78 O +ATOM 1298 CB LYS A 194 51.546 47.780 8.594 1.00 56.15 C +ATOM 1299 CG LYS A 194 50.335 47.984 7.671 1.00 52.44 C +ATOM 1300 CD LYS A 194 49.786 49.393 7.841 1.00 50.68 C +ATOM 1301 CE LYS A 194 48.572 49.628 6.940 1.00 47.03 C +ATOM 1302 NZ LYS A 194 48.015 50.997 7.119 1.00 42.82 N +ATOM 1303 N ASP A 195 54.601 46.525 8.533 1.00 56.02 N +ATOM 1304 CA ASP A 195 55.908 46.602 9.177 1.00 59.17 C +ATOM 1305 C ASP A 195 55.907 47.636 10.306 1.00 57.54 C +ATOM 1306 O ASP A 195 55.273 48.702 10.219 1.00 55.37 O +ATOM 1307 CB ASP A 195 57.006 46.927 8.143 1.00 57.83 C +ATOM 1308 CG ASP A 195 57.174 45.832 7.085 1.00 54.69 C +ATOM 1309 OD1 ASP A 195 56.936 44.656 7.421 1.00 52.32 O +ATOM 1310 OD2 ASP A 195 57.536 46.198 5.939 1.00 50.99 O +ATOM 1311 N GLY A 196 56.616 47.301 11.390 1.00 55.76 N +ATOM 1312 CA GLY A 196 56.835 48.252 12.479 1.00 56.42 C +ATOM 1313 C GLY A 196 57.577 49.488 11.964 1.00 56.74 C +ATOM 1314 O GLY A 196 58.462 49.383 11.119 1.00 54.68 O +ATOM 1315 N GLN A 197 57.196 50.639 12.461 1.00 51.62 N +ATOM 1316 CA GLN A 197 57.928 51.866 12.130 1.00 55.33 C +ATOM 1317 C GLN A 197 59.368 51.753 12.631 1.00 54.92 C +ATOM 1318 O GLN A 197 59.595 51.299 13.755 1.00 53.46 O +ATOM 1319 CB GLN A 197 57.234 53.100 12.720 1.00 54.37 C +ATOM 1320 CG GLN A 197 55.882 53.389 12.045 1.00 51.63 C +ATOM 1321 CD GLN A 197 55.189 54.649 12.569 1.00 48.38 C +ATOM 1322 OE1 GLN A 197 55.554 55.262 13.551 1.00 46.91 O +ATOM 1323 NE2 GLN A 197 54.121 55.071 11.930 1.00 44.01 N +ATOM 1324 N ASN A 198 60.317 52.186 11.805 1.00 59.26 N +ATOM 1325 CA ASN A 198 61.714 52.239 12.210 1.00 62.46 C +ATOM 1326 C ASN A 198 61.866 53.021 13.516 1.00 60.91 C +ATOM 1327 O ASN A 198 61.212 54.049 13.740 1.00 58.29 O +ATOM 1328 CB ASN A 198 62.566 52.865 11.079 1.00 60.42 C +ATOM 1329 CG ASN A 198 62.680 51.983 9.845 1.00 56.05 C +ATOM 1330 OD1 ASN A 198 62.493 50.779 9.891 1.00 53.86 O +ATOM 1331 ND2 ASN A 198 63.002 52.540 8.703 1.00 51.81 N +ATOM 1332 N GLY A 199 62.706 52.506 14.392 1.00 59.03 N +ATOM 1333 CA GLY A 199 63.082 53.237 15.599 1.00 59.12 C +ATOM 1334 C GLY A 199 63.670 54.608 15.219 1.00 59.27 C +ATOM 1335 O GLY A 199 64.355 54.735 14.210 1.00 57.21 O +ATOM 1336 N LYS A 200 63.366 55.609 16.029 1.00 55.27 N +ATOM 1337 CA LYS A 200 63.969 56.929 15.826 1.00 60.62 C +ATOM 1338 C LYS A 200 65.484 56.825 16.008 1.00 59.55 C +ATOM 1339 O LYS A 200 65.939 56.128 16.908 1.00 58.97 O +ATOM 1340 CB LYS A 200 63.392 57.960 16.798 1.00 59.87 C +ATOM 1341 CG LYS A 200 61.904 58.241 16.538 1.00 56.41 C +ATOM 1342 CD LYS A 200 61.375 59.293 17.517 1.00 54.80 C +ATOM 1343 CE LYS A 200 59.887 59.553 17.263 1.00 51.65 C +ATOM 1344 NZ LYS A 200 59.336 60.531 18.223 1.00 46.12 N +ATOM 1345 N ASP A 201 66.202 57.544 15.163 1.00 58.50 N +ATOM 1346 CA ASP A 201 67.657 57.625 15.291 1.00 61.76 C +ATOM 1347 C ASP A 201 68.071 58.007 16.715 1.00 60.00 C +ATOM 1348 O ASP A 201 67.418 58.813 17.394 1.00 57.10 O +ATOM 1349 CB ASP A 201 68.231 58.624 14.273 1.00 60.13 C +ATOM 1350 CG ASP A 201 68.017 58.195 12.821 1.00 57.36 C +ATOM 1351 OD1 ASP A 201 67.958 56.968 12.578 1.00 54.74 O +ATOM 1352 OD2 ASP A 201 67.893 59.104 11.980 1.00 52.87 O +ATOM 1353 N GLY A 202 69.176 57.396 17.186 1.00 58.95 N +ATOM 1354 CA GLY A 202 69.759 57.740 18.480 1.00 58.61 C +ATOM 1355 C GLY A 202 70.161 59.228 18.515 1.00 58.39 C +ATOM 1356 O GLY A 202 70.643 59.768 17.528 1.00 56.06 O +ATOM 1357 N LEU A 203 69.936 59.848 19.653 1.00 52.23 N +ATOM 1358 CA LEU A 203 70.368 61.233 19.826 1.00 56.59 C +ATOM 1359 C LEU A 203 71.896 61.337 19.635 1.00 55.13 C +ATOM 1360 O LEU A 203 72.615 60.442 20.084 1.00 54.96 O +ATOM 1361 CB LEU A 203 69.958 61.748 21.217 1.00 56.39 C +ATOM 1362 CG LEU A 203 68.442 61.899 21.425 1.00 53.33 C +ATOM 1363 CD1 LEU A 203 68.144 62.216 22.884 1.00 52.04 C +ATOM 1364 CD2 LEU A 203 67.840 63.009 20.567 1.00 50.99 C +ATOM 1365 N PRO A 204 72.372 62.408 19.020 1.00 58.50 N +ATOM 1366 CA PRO A 204 73.810 62.640 18.917 1.00 61.03 C +ATOM 1367 C PRO A 204 74.485 62.528 20.292 1.00 58.37 C +ATOM 1368 O PRO A 204 73.945 62.989 21.301 1.00 57.24 O +ATOM 1369 CB PRO A 204 73.972 64.041 18.318 1.00 60.98 C +ATOM 1370 CG PRO A 204 72.672 64.243 17.528 1.00 57.24 C +ATOM 1371 CD PRO A 204 71.643 63.494 18.346 1.00 58.33 C +ATOM 1372 N GLY A 205 75.661 61.907 20.316 1.00 56.41 N +ATOM 1373 CA GLY A 205 76.480 61.864 21.524 1.00 56.90 C +ATOM 1374 C GLY A 205 76.741 63.290 22.031 1.00 56.89 C +ATOM 1375 O GLY A 205 76.954 64.206 21.247 1.00 54.65 O +ATOM 1376 N LYS A 206 76.694 63.458 23.359 1.00 52.89 N +ATOM 1377 CA LYS A 206 77.019 64.760 23.945 1.00 57.71 C +ATOM 1378 C LYS A 206 78.475 65.088 23.666 1.00 56.99 C +ATOM 1379 O LYS A 206 79.343 64.228 23.851 1.00 56.09 O +ATOM 1380 CB LYS A 206 76.743 64.775 25.457 1.00 56.87 C +ATOM 1381 CG LYS A 206 75.249 64.660 25.771 1.00 53.41 C +ATOM 1382 CD LYS A 206 75.001 64.697 27.274 1.00 51.68 C +ATOM 1383 CE LYS A 206 73.511 64.556 27.557 1.00 48.50 C +ATOM 1384 NZ LYS A 206 73.223 64.524 29.008 1.00 43.42 N +ATOM 1385 N ASP A 207 78.720 66.321 23.281 1.00 56.81 N +ATOM 1386 CA ASP A 207 80.079 66.808 23.090 1.00 59.59 C +ATOM 1387 C ASP A 207 80.932 66.539 24.335 1.00 57.51 C +ATOM 1388 O ASP A 207 80.469 66.628 25.482 1.00 55.36 O +ATOM 1389 CB ASP A 207 80.067 68.306 22.737 1.00 58.12 C +ATOM 1390 CG ASP A 207 79.381 68.604 21.395 1.00 54.67 C +ATOM 1391 OD1 ASP A 207 79.452 67.735 20.508 1.00 52.42 O +ATOM 1392 OD2 ASP A 207 78.778 69.686 21.292 1.00 51.33 O +ATOM 1393 N GLY A 208 82.187 66.161 24.091 1.00 56.12 N +ATOM 1394 CA GLY A 208 83.159 66.008 25.168 1.00 56.28 C +ATOM 1395 C GLY A 208 83.286 67.318 25.959 1.00 56.43 C +ATOM 1396 O GLY A 208 83.243 68.405 25.394 1.00 54.07 O +ATOM 1397 N LYS A 209 83.408 67.194 27.284 1.00 52.85 N +ATOM 1398 CA LYS A 209 83.573 68.394 28.118 1.00 56.62 C +ATOM 1399 C LYS A 209 84.849 69.127 27.723 1.00 55.57 C +ATOM 1400 O LYS A 209 85.925 68.535 27.728 1.00 54.27 O +ATOM 1401 CB LYS A 209 83.604 68.028 29.608 1.00 55.83 C +ATOM 1402 CG LYS A 209 82.250 67.557 30.140 1.00 52.13 C +ATOM 1403 CD LYS A 209 82.353 67.222 31.631 1.00 50.75 C +ATOM 1404 CE LYS A 209 81.024 66.726 32.186 1.00 47.50 C +ATOM 1405 NZ LYS A 209 81.146 66.296 33.586 1.00 42.95 N +ATOM 1406 N ASP A 210 84.693 70.395 27.444 1.00 53.32 N +ATOM 1407 CA ASP A 210 85.820 71.259 27.113 1.00 55.66 C +ATOM 1408 C ASP A 210 86.904 71.219 28.192 1.00 54.42 C +ATOM 1409 O ASP A 210 86.631 71.269 29.400 1.00 53.01 O +ATOM 1410 CB ASP A 210 85.339 72.705 26.895 1.00 54.59 C +ATOM 1411 CG ASP A 210 84.453 72.875 25.666 1.00 51.48 C +ATOM 1412 OD1 ASP A 210 84.716 72.162 24.676 1.00 49.53 O +ATOM 1413 OD2 ASP A 210 83.552 73.722 25.734 1.00 48.82 O +ATOM 1414 N GLY A 211 88.149 71.135 27.742 1.00 50.27 N +ATOM 1415 CA GLY A 211 89.285 71.431 28.605 1.00 51.31 C +ATOM 1416 C GLY A 211 89.196 72.883 29.101 1.00 51.64 C +ATOM 1417 O GLY A 211 88.814 73.770 28.347 1.00 49.92 O +ATOM 1418 N GLN A 212 89.525 73.122 30.345 1.00 45.91 N +ATOM 1419 CA GLN A 212 89.375 74.447 30.948 1.00 49.52 C +ATOM 1420 C GLN A 212 90.166 75.538 30.210 1.00 49.00 C +ATOM 1421 O GLN A 212 91.331 75.389 29.877 1.00 48.37 O +ATOM 1422 CB GLN A 212 89.723 74.410 32.447 1.00 49.55 C +ATOM 1423 CG GLN A 212 88.619 73.730 33.274 1.00 47.13 C +ATOM 1424 CD GLN A 212 88.885 73.769 34.777 1.00 44.39 C +ATOM 1425 OE1 GLN A 212 89.953 74.074 35.271 1.00 43.48 O +ATOM 1426 NE2 GLN A 212 87.892 73.444 35.595 1.00 40.91 N +ATOM 1427 N ASN A 213 89.484 76.650 29.984 1.00 50.55 N +ATOM 1428 CA ASN A 213 89.731 77.742 29.057 1.00 53.09 C +ATOM 1429 C ASN A 213 91.137 78.355 29.024 1.00 51.94 C +ATOM 1430 O ASN A 213 91.640 78.869 30.032 1.00 51.08 O +ATOM 1431 CB ASN A 213 88.742 78.865 29.413 1.00 51.77 C +ATOM 1432 CG ASN A 213 87.290 78.504 29.150 1.00 48.31 C +ATOM 1433 OD1 ASN A 213 86.985 77.673 28.321 1.00 46.39 O +ATOM 1434 ND2 ASN A 213 86.349 79.116 29.829 1.00 45.43 N +ATOM 1435 N GLY A 214 91.622 78.505 27.789 1.00 46.80 N +ATOM 1436 CA GLY A 214 92.235 79.757 27.353 1.00 48.22 C +ATOM 1437 C GLY A 214 91.173 80.651 26.678 1.00 47.58 C +ATOM 1438 O GLY A 214 90.250 80.133 26.063 1.00 46.25 O +ATOM 1439 N LYS A 215 91.266 81.972 26.851 1.00 45.39 N +ATOM 1440 CA LYS A 215 90.212 82.961 26.548 1.00 51.22 C +ATOM 1441 C LYS A 215 89.713 82.969 25.090 1.00 49.67 C +ATOM 1442 O LYS A 215 90.446 82.683 24.161 1.00 50.01 O +ATOM 1443 CB LYS A 215 90.725 84.354 26.919 1.00 52.18 C +ATOM 1444 CG LYS A 215 90.937 84.536 28.417 1.00 50.22 C +ATOM 1445 CD LYS A 215 91.547 85.890 28.711 1.00 49.58 C +ATOM 1446 CE LYS A 215 91.751 86.081 30.215 1.00 46.44 C +ATOM 1447 NZ LYS A 215 92.427 87.355 30.529 1.00 42.14 N +ATOM 1448 N ASP A 216 88.456 83.352 24.961 1.00 52.54 N +ATOM 1449 CA ASP A 216 87.529 83.253 23.847 1.00 56.06 C +ATOM 1450 C ASP A 216 88.075 83.572 22.441 1.00 54.31 C +ATOM 1451 O ASP A 216 88.625 84.642 22.167 1.00 52.81 O +ATOM 1452 CB ASP A 216 86.333 84.184 24.136 1.00 55.34 C +ATOM 1453 CG ASP A 216 85.671 83.880 25.476 1.00 52.52 C +ATOM 1454 OD1 ASP A 216 85.473 82.678 25.756 1.00 50.73 O +ATOM 1455 OD2 ASP A 216 85.447 84.835 26.243 1.00 49.57 O +ATOM 1456 N GLY A 217 87.805 82.671 21.489 1.00 47.59 N +ATOM 1457 CA GLY A 217 87.811 82.898 20.049 1.00 48.92 C +ATOM 1458 C GLY A 217 86.441 82.548 19.458 1.00 48.09 C +ATOM 1459 O GLY A 217 85.787 81.631 19.938 1.00 46.69 O +ATOM 1460 N LEU A 218 85.977 83.293 18.447 1.00 45.43 N +ATOM 1461 CA LEU A 218 84.617 83.330 17.881 1.00 51.56 C +ATOM 1462 C LEU A 218 84.047 81.955 17.450 1.00 50.23 C +ATOM 1463 O LEU A 218 84.804 81.086 17.026 1.00 50.50 O +ATOM 1464 CB LEU A 218 84.650 84.265 16.650 1.00 52.10 C +ATOM 1465 CG LEU A 218 84.912 85.742 16.959 1.00 48.44 C +ATOM 1466 CD1 LEU A 218 85.311 86.485 15.699 1.00 46.54 C +ATOM 1467 CD2 LEU A 218 83.694 86.413 17.559 1.00 45.58 C +ATOM 1468 N PRO A 219 82.710 81.761 17.453 1.00 54.14 N +ATOM 1469 CA PRO A 219 82.045 80.482 17.195 1.00 57.40 C +ATOM 1470 C PRO A 219 82.359 79.922 15.799 1.00 54.99 C +ATOM 1471 O PRO A 219 82.306 80.638 14.799 1.00 54.34 O +ATOM 1472 CB PRO A 219 80.537 80.733 17.348 1.00 57.42 C +ATOM 1473 CG PRO A 219 80.449 81.976 18.220 1.00 54.37 C +ATOM 1474 CD PRO A 219 81.677 82.759 17.850 1.00 57.38 C +ATOM 1475 N GLY A 220 82.682 78.621 15.731 1.00 48.73 N +ATOM 1476 CA GLY A 220 82.772 77.868 14.476 1.00 51.32 C +ATOM 1477 C GLY A 220 81.392 77.620 13.864 1.00 51.76 C +ATOM 1478 O GLY A 220 80.405 77.534 14.586 1.00 50.55 O +ATOM 1479 N LYS A 221 81.285 77.511 12.516 1.00 48.15 N +ATOM 1480 CA LYS A 221 80.027 77.224 11.801 1.00 55.81 C +ATOM 1481 C LYS A 221 79.620 75.762 11.995 1.00 54.18 C +ATOM 1482 O LYS A 221 80.473 74.887 11.942 1.00 53.95 O +ATOM 1483 CB LYS A 221 80.180 77.511 10.292 1.00 55.79 C +ATOM 1484 CG LYS A 221 80.372 78.995 9.987 1.00 52.52 C +ATOM 1485 CD LYS A 221 80.497 79.223 8.478 1.00 49.92 C +ATOM 1486 CE LYS A 221 80.678 80.718 8.185 1.00 46.71 C +ATOM 1487 NZ LYS A 221 80.840 80.985 6.745 1.00 41.32 N +ATOM 1488 N ASP A 222 78.327 75.522 12.117 1.00 51.72 N +ATOM 1489 CA ASP A 222 77.710 74.200 12.259 1.00 58.29 C +ATOM 1490 C ASP A 222 78.143 73.220 11.162 1.00 55.50 C +ATOM 1491 O ASP A 222 78.339 73.588 9.996 1.00 53.72 O +ATOM 1492 CB ASP A 222 76.169 74.339 12.285 1.00 58.00 C +ATOM 1493 CG ASP A 222 75.669 75.271 13.385 1.00 54.71 C +ATOM 1494 OD1 ASP A 222 76.313 75.315 14.454 1.00 51.89 O +ATOM 1495 OD2 ASP A 222 74.689 76.000 13.128 1.00 49.59 O +ATOM 1496 N GLY A 223 78.349 71.952 11.542 1.00 52.24 N +ATOM 1497 CA GLY A 223 78.612 70.844 10.614 1.00 54.28 C +ATOM 1498 C GLY A 223 77.411 70.567 9.706 1.00 54.33 C +ATOM 1499 O GLY A 223 76.267 70.769 10.100 1.00 52.38 O +ATOM 1500 N LYS A 224 77.658 70.110 8.455 1.00 49.26 N +ATOM 1501 CA LYS A 224 76.574 69.730 7.529 1.00 55.53 C +ATOM 1502 C LYS A 224 76.002 68.365 7.918 1.00 53.18 C +ATOM 1503 O LYS A 224 76.764 67.452 8.199 1.00 53.17 O +ATOM 1504 CB LYS A 224 77.089 69.684 6.076 1.00 55.95 C +ATOM 1505 CG LYS A 224 77.479 71.050 5.524 1.00 52.94 C +ATOM 1506 CD LYS A 224 77.919 70.909 4.068 1.00 50.41 C +ATOM 1507 CE LYS A 224 78.312 72.267 3.468 1.00 47.63 C +ATOM 1508 NZ LYS A 224 78.738 72.124 2.071 1.00 42.40 N +ATOM 1509 N ASP A 225 74.683 68.229 7.837 1.00 52.03 N +ATOM 1510 CA ASP A 225 73.946 66.992 8.077 1.00 58.09 C +ATOM 1511 C ASP A 225 74.464 65.831 7.214 1.00 55.32 C +ATOM 1512 O ASP A 225 74.890 66.007 6.061 1.00 53.37 O +ATOM 1513 CB ASP A 225 72.435 67.209 7.831 1.00 57.70 C +ATOM 1514 CG ASP A 225 71.827 68.284 8.736 1.00 55.45 C +ATOM 1515 OD1 ASP A 225 72.295 68.411 9.889 1.00 52.99 O +ATOM 1516 OD2 ASP A 225 70.942 69.016 8.248 1.00 50.26 O +ATOM 1517 N GLY A 226 74.470 64.597 7.780 1.00 53.59 N +ATOM 1518 CA GLY A 226 74.796 63.359 7.068 1.00 55.53 C +ATOM 1519 C GLY A 226 73.751 63.039 5.992 1.00 55.43 C +ATOM 1520 O GLY A 226 72.584 63.381 6.135 1.00 53.37 O +ATOM 1521 N GLN A 227 74.171 62.385 4.894 1.00 48.54 N +ATOM 1522 CA GLN A 227 73.253 61.931 3.839 1.00 54.02 C +ATOM 1523 C GLN A 227 72.498 60.674 4.278 1.00 52.14 C +ATOM 1524 O GLN A 227 73.090 59.765 4.853 1.00 51.58 O +ATOM 1525 CB GLN A 227 74.016 61.648 2.531 1.00 54.47 C +ATOM 1526 CG GLN A 227 74.529 62.928 1.852 1.00 51.70 C +ATOM 1527 CD GLN A 227 75.247 62.664 0.533 1.00 47.13 C +ATOM 1528 OE1 GLN A 227 75.654 61.578 0.172 1.00 46.49 O +ATOM 1529 NE2 GLN A 227 75.469 63.691 -0.265 1.00 43.20 N +ATOM 1530 N ASP A 228 71.239 60.621 3.935 1.00 53.29 N +ATOM 1531 CA ASP A 228 70.350 59.494 4.222 1.00 58.45 C +ATOM 1532 C ASP A 228 70.894 58.163 3.686 1.00 55.51 C +ATOM 1533 O ASP A 228 71.491 58.071 2.604 1.00 53.57 O +ATOM 1534 CB ASP A 228 68.941 59.767 3.642 1.00 58.36 C +ATOM 1535 CG ASP A 228 68.272 61.018 4.207 1.00 56.15 C +ATOM 1536 OD1 ASP A 228 68.532 61.340 5.386 1.00 54.02 O +ATOM 1537 OD2 ASP A 228 67.542 61.672 3.436 1.00 51.78 O +ATOM 1538 N GLY A 229 70.705 57.086 4.474 1.00 53.10 N +ATOM 1539 CA GLY A 229 71.037 55.716 4.073 1.00 55.05 C +ATOM 1540 C GLY A 229 70.113 55.212 2.961 1.00 54.40 C +ATOM 1541 O GLY A 229 68.959 55.619 2.866 1.00 52.58 O +ATOM 1542 N LYS A 230 70.616 54.303 2.093 1.00 47.86 N +ATOM 1543 CA LYS A 230 69.802 53.659 1.052 1.00 54.10 C +ATOM 1544 C LYS A 230 68.863 52.614 1.661 1.00 52.05 C +ATOM 1545 O LYS A 230 69.282 51.867 2.538 1.00 52.11 O +ATOM 1546 CB LYS A 230 70.690 53.000 -0.019 1.00 55.06 C +ATOM 1547 CG LYS A 230 71.486 54.011 -0.842 1.00 52.69 C +ATOM 1548 CD LYS A 230 72.294 53.291 -1.925 1.00 50.23 C +ATOM 1549 CE LYS A 230 73.094 54.292 -2.753 1.00 47.62 C +ATOM 1550 NZ LYS A 230 73.878 53.632 -3.806 1.00 41.96 N +ATOM 1551 N ASP A 231 67.664 52.516 1.137 1.00 50.73 N +ATOM 1552 CA ASP A 231 66.627 51.567 1.559 1.00 54.69 C +ATOM 1553 C ASP A 231 67.120 50.110 1.566 1.00 52.30 C +ATOM 1554 O ASP A 231 67.814 49.640 0.658 1.00 51.00 O +ATOM 1555 CB ASP A 231 65.392 51.690 0.635 1.00 54.71 C +ATOM 1556 CG ASP A 231 64.755 53.077 0.643 1.00 52.97 C +ATOM 1557 OD1 ASP A 231 64.816 53.737 1.701 1.00 50.64 O +ATOM 1558 OD2 ASP A 231 64.248 53.478 -0.421 1.00 48.96 O +ATOM 1559 N GLY A 232 66.753 49.361 2.631 1.00 51.26 N +ATOM 1560 CA GLY A 232 67.027 47.931 2.778 1.00 53.62 C +ATOM 1561 C GLY A 232 66.087 47.055 1.936 1.00 53.49 C +ATOM 1562 O GLY A 232 64.955 47.433 1.647 1.00 51.64 O +ATOM 1563 N LEU A 233 66.557 45.865 1.549 1.00 43.82 N +ATOM 1564 CA LEU A 233 65.758 44.853 0.846 1.00 49.98 C +ATOM 1565 C LEU A 233 64.660 44.247 1.751 1.00 48.40 C +ATOM 1566 O LEU A 233 64.852 44.160 2.961 1.00 49.08 O +ATOM 1567 CB LEU A 233 66.682 43.747 0.301 1.00 51.22 C +ATOM 1568 CG LEU A 233 67.589 44.174 -0.864 1.00 47.98 C +ATOM 1569 CD1 LEU A 233 68.612 43.089 -1.146 1.00 46.01 C +ATOM 1570 CD2 LEU A 233 66.809 44.438 -2.148 1.00 44.96 C +ATOM 1571 N PRO A 234 63.552 43.765 1.193 1.00 49.10 N +ATOM 1572 CA PRO A 234 62.410 43.266 1.954 1.00 52.33 C +ATOM 1573 C PRO A 234 62.744 42.088 2.884 1.00 49.68 C +ATOM 1574 O PRO A 234 63.492 41.179 2.520 1.00 50.26 O +ATOM 1575 CB PRO A 234 61.342 42.851 0.923 1.00 53.55 C +ATOM 1576 CG PRO A 234 61.716 43.638 -0.314 1.00 51.48 C +ATOM 1577 CD PRO A 234 63.231 43.747 -0.235 1.00 52.73 C +ATOM 1578 N GLY A 235 62.156 42.115 4.085 1.00 50.91 N +ATOM 1579 CA GLY A 235 62.522 41.269 5.210 1.00 53.63 C +ATOM 1580 C GLY A 235 62.139 39.794 5.101 1.00 53.06 C +ATOM 1581 O GLY A 235 61.022 39.434 4.744 1.00 51.94 O +ATOM 1582 N LYS A 236 63.086 38.947 5.532 1.00 47.26 N +ATOM 1583 CA LYS A 236 62.787 37.749 6.323 1.00 51.64 C +ATOM 1584 C LYS A 236 63.508 37.949 7.647 1.00 50.45 C +ATOM 1585 O LYS A 236 64.718 38.092 7.621 1.00 50.11 O +ATOM 1586 CB LYS A 236 63.273 36.473 5.624 1.00 52.01 C +ATOM 1587 CG LYS A 236 62.437 36.111 4.397 1.00 49.92 C +ATOM 1588 CD LYS A 236 62.932 34.792 3.785 1.00 48.01 C +ATOM 1589 CE LYS A 236 62.092 34.427 2.578 1.00 46.00 C +ATOM 1590 NZ LYS A 236 62.552 33.177 1.946 1.00 41.27 N +ATOM 1591 N ASP A 237 62.737 37.976 8.731 1.00 48.61 N +ATOM 1592 CA ASP A 237 63.149 38.143 10.132 1.00 52.18 C +ATOM 1593 C ASP A 237 64.159 39.276 10.404 1.00 50.04 C +ATOM 1594 O ASP A 237 65.313 39.238 9.980 1.00 49.72 O +ATOM 1595 CB ASP A 237 63.582 36.791 10.716 1.00 52.70 C +ATOM 1596 CG ASP A 237 62.464 35.749 10.620 1.00 50.56 C +ATOM 1597 OD1 ASP A 237 61.278 36.163 10.630 1.00 48.95 O +ATOM 1598 OD2 ASP A 237 62.793 34.548 10.476 1.00 48.18 O +ATOM 1599 N GLY A 238 63.681 40.279 11.125 1.00 49.82 N +ATOM 1600 CA GLY A 238 64.436 41.511 11.334 1.00 51.29 C +ATOM 1601 C GLY A 238 65.842 41.281 11.891 1.00 50.13 C +ATOM 1602 O GLY A 238 66.016 40.681 12.936 1.00 48.99 O +ATOM 1603 N LYS A 239 66.843 41.753 11.147 1.00 48.87 N +ATOM 1604 CA LYS A 239 68.212 41.864 11.649 1.00 52.31 C +ATOM 1605 C LYS A 239 68.407 43.254 12.232 1.00 52.19 C +ATOM 1606 O LYS A 239 67.893 44.230 11.690 1.00 51.10 O +ATOM 1607 CB LYS A 239 69.227 41.573 10.541 1.00 51.14 C +ATOM 1608 CG LYS A 239 69.205 40.110 10.114 1.00 48.11 C +ATOM 1609 CD LYS A 239 70.312 39.818 9.098 1.00 46.29 C +ATOM 1610 CE LYS A 239 70.279 38.354 8.688 1.00 43.34 C +ATOM 1611 NZ LYS A 239 71.358 38.032 7.738 1.00 40.12 N +ATOM 1612 N ASP A 240 69.152 43.292 13.300 1.00 50.61 N +ATOM 1613 CA ASP A 240 69.475 44.535 13.991 1.00 53.88 C +ATOM 1614 C ASP A 240 70.073 45.580 13.036 1.00 52.42 C +ATOM 1615 O ASP A 240 70.829 45.252 12.116 1.00 51.39 O +ATOM 1616 CB ASP A 240 70.448 44.248 15.143 1.00 53.54 C +ATOM 1617 CG ASP A 240 69.876 43.300 16.196 1.00 51.03 C +ATOM 1618 OD1 ASP A 240 68.645 43.355 16.424 1.00 48.90 O +ATOM 1619 OD2 ASP A 240 70.665 42.511 16.743 1.00 47.92 O +ATOM 1620 N GLY A 241 69.724 46.809 13.257 1.00 54.57 N +ATOM 1621 CA GLY A 241 70.308 47.926 12.508 1.00 56.24 C +ATOM 1622 C GLY A 241 71.833 47.974 12.663 1.00 56.06 C +ATOM 1623 O GLY A 241 72.362 47.683 13.733 1.00 54.36 O +ATOM 1624 N LEU A 242 72.514 48.311 11.586 1.00 53.04 N +ATOM 1625 CA LEU A 242 73.971 48.414 11.631 1.00 56.75 C +ATOM 1626 C LEU A 242 74.414 49.518 12.610 1.00 56.54 C +ATOM 1627 O LEU A 242 73.761 50.567 12.663 1.00 55.62 O +ATOM 1628 CB LEU A 242 74.535 48.680 10.223 1.00 55.55 C +ATOM 1629 CG LEU A 242 74.400 47.514 9.235 1.00 52.08 C +ATOM 1630 CD1 LEU A 242 74.810 47.968 7.839 1.00 50.29 C +ATOM 1631 CD2 LEU A 242 75.266 46.317 9.611 1.00 49.05 C +ATOM 1632 N PRO A 243 75.549 49.323 13.336 1.00 58.61 N +ATOM 1633 CA PRO A 243 76.090 50.355 14.217 1.00 61.72 C +ATOM 1634 C PRO A 243 76.377 51.662 13.461 1.00 59.65 C +ATOM 1635 O PRO A 243 76.877 51.640 12.335 1.00 58.59 O +ATOM 1636 CB PRO A 243 77.372 49.772 14.819 1.00 61.79 C +ATOM 1637 CG PRO A 243 77.164 48.262 14.712 1.00 58.04 C +ATOM 1638 CD PRO A 243 76.343 48.102 13.450 1.00 58.84 C +ATOM 1639 N GLY A 244 76.085 52.747 14.093 1.00 62.23 N +ATOM 1640 CA GLY A 244 76.467 54.058 13.563 1.00 63.82 C +ATOM 1641 C GLY A 244 77.988 54.154 13.340 1.00 63.95 C +ATOM 1642 O GLY A 244 78.770 53.551 14.073 1.00 62.33 O +ATOM 1643 N LYS A 245 78.408 54.885 12.297 1.00 60.66 N +ATOM 1644 CA LYS A 245 79.844 55.070 12.013 1.00 65.63 C +ATOM 1645 C LYS A 245 80.498 55.884 13.117 1.00 65.77 C +ATOM 1646 O LYS A 245 79.943 56.877 13.572 1.00 63.92 O +ATOM 1647 CB LYS A 245 80.051 55.749 10.655 1.00 62.90 C +ATOM 1648 CG LYS A 245 79.644 54.847 9.484 1.00 58.32 C +ATOM 1649 CD LYS A 245 79.889 55.544 8.147 1.00 55.73 C +ATOM 1650 CE LYS A 245 79.438 54.640 6.994 1.00 52.38 C +ATOM 1651 NZ LYS A 245 79.546 55.316 5.686 1.00 46.85 N +ATOM 1652 N ASP A 246 81.720 55.501 13.462 1.00 64.94 N +ATOM 1653 CA ASP A 246 82.509 56.215 14.452 1.00 67.35 C +ATOM 1654 C ASP A 246 82.697 57.695 14.073 1.00 65.14 C +ATOM 1655 O ASP A 246 82.995 58.026 12.921 1.00 61.40 O +ATOM 1656 CB ASP A 246 83.880 55.539 14.602 1.00 65.12 C +ATOM 1657 CG ASP A 246 83.829 54.146 15.223 1.00 61.03 C +ATOM 1658 OD1 ASP A 246 82.841 53.863 15.928 1.00 58.42 O +ATOM 1659 OD2 ASP A 246 84.828 53.430 15.054 1.00 56.84 O +ATOM 1660 N GLY A 247 82.577 58.559 15.041 1.00 68.32 N +ATOM 1661 CA GLY A 247 82.934 59.966 14.871 1.00 68.39 C +ATOM 1662 C GLY A 247 84.409 60.133 14.492 1.00 67.90 C +ATOM 1663 O GLY A 247 85.265 59.352 14.913 1.00 65.70 O +ATOM 1664 N LYS A 248 84.694 61.114 13.669 1.00 65.27 N +ATOM 1665 CA LYS A 248 86.097 61.410 13.310 1.00 69.33 C +ATOM 1666 C LYS A 248 86.843 61.940 14.531 1.00 68.95 C +ATOM 1667 O LYS A 248 86.300 62.743 15.273 1.00 67.01 O +ATOM 1668 CB LYS A 248 86.180 62.421 12.163 1.00 66.11 C +ATOM 1669 CG LYS A 248 85.666 61.856 10.832 1.00 60.36 C +ATOM 1670 CD LYS A 248 85.822 62.899 9.718 1.00 57.99 C +ATOM 1671 CE LYS A 248 85.302 62.361 8.382 1.00 54.26 C +ATOM 1672 NZ LYS A 248 85.385 63.387 7.323 1.00 48.86 N +ATOM 1673 N ASP A 249 88.092 61.511 14.661 1.00 68.12 N +ATOM 1674 CA ASP A 249 88.952 61.988 15.736 1.00 70.06 C +ATOM 1675 C ASP A 249 89.098 63.521 15.691 1.00 67.30 C +ATOM 1676 O ASP A 249 89.243 64.124 14.624 1.00 63.28 O +ATOM 1677 CB ASP A 249 90.335 61.317 15.656 1.00 67.51 C +ATOM 1678 CG ASP A 249 90.277 59.803 15.838 1.00 63.05 C +ATOM 1679 OD1 ASP A 249 89.357 59.326 16.535 1.00 60.09 O +ATOM 1680 OD2 ASP A 249 91.155 59.129 15.247 1.00 58.50 O +ATOM 1681 N GLY A 250 89.071 64.112 16.848 1.00 69.09 N +ATOM 1682 CA GLY A 250 89.335 65.539 16.985 1.00 68.21 C +ATOM 1683 C GLY A 250 90.751 65.898 16.508 1.00 67.93 C +ATOM 1684 O GLY A 250 91.690 65.128 16.694 1.00 65.54 O +ATOM 1685 N GLN A 251 90.903 67.044 15.889 1.00 62.62 N +ATOM 1686 CA GLN A 251 92.224 67.489 15.447 1.00 65.81 C +ATOM 1687 C GLN A 251 93.147 67.754 16.645 1.00 64.60 C +ATOM 1688 O GLN A 251 92.687 68.293 17.656 1.00 62.81 O +ATOM 1689 CB GLN A 251 92.134 68.731 14.557 1.00 63.76 C +ATOM 1690 CG GLN A 251 91.506 68.429 13.187 1.00 59.39 C +ATOM 1691 CD GLN A 251 91.596 69.597 12.209 1.00 55.40 C +ATOM 1692 OE1 GLN A 251 91.997 70.702 12.511 1.00 53.75 O +ATOM 1693 NE2 GLN A 251 91.225 69.384 10.956 1.00 49.87 N +ATOM 1694 N PRO A 252 94.436 67.395 16.533 1.00 66.23 N +ATOM 1695 CA PRO A 252 95.383 67.656 17.608 1.00 68.06 C +ATOM 1696 C PRO A 252 95.467 69.157 17.942 1.00 65.42 C +ATOM 1697 O PRO A 252 95.530 69.996 17.047 1.00 62.95 O +ATOM 1698 CB PRO A 252 96.733 67.126 17.116 1.00 67.10 C +ATOM 1699 CG PRO A 252 96.366 66.098 16.052 1.00 62.02 C +ATOM 1700 CD PRO A 252 95.087 66.649 15.454 1.00 62.72 C +ATOM 1701 N GLY A 253 95.508 69.441 19.215 1.00 66.03 N +ATOM 1702 CA GLY A 253 95.701 70.810 19.679 1.00 66.01 C +ATOM 1703 C GLY A 253 97.027 71.401 19.170 1.00 65.25 C +ATOM 1704 O GLY A 253 98.043 70.717 19.113 1.00 63.11 O +ATOM 1705 N LYS A 254 97.008 72.665 18.765 1.00 60.09 N +ATOM 1706 CA LYS A 254 98.232 73.353 18.326 1.00 65.51 C +ATOM 1707 C LYS A 254 99.178 73.577 19.513 1.00 63.40 C +ATOM 1708 O LYS A 254 98.700 73.913 20.593 1.00 62.77 O +ATOM 1709 CB LYS A 254 97.901 74.692 17.650 1.00 63.76 C +ATOM 1710 CG LYS A 254 97.201 74.502 16.300 1.00 59.37 C +ATOM 1711 CD LYS A 254 96.927 75.851 15.623 1.00 57.68 C +ATOM 1712 CE LYS A 254 96.206 75.635 14.284 1.00 53.98 C +ATOM 1713 NZ LYS A 254 95.830 76.907 13.639 1.00 48.52 N +ATOM 1714 N PRO A 255 100.506 73.441 19.300 1.00 63.66 N +ATOM 1715 CA PRO A 255 101.473 73.673 20.372 1.00 66.67 C +ATOM 1716 C PRO A 255 101.365 75.097 20.925 1.00 63.13 C +ATOM 1717 O PRO A 255 101.299 76.061 20.151 1.00 60.21 O +ATOM 1718 CB PRO A 255 102.854 73.417 19.766 1.00 66.10 C +ATOM 1719 CG PRO A 255 102.571 72.589 18.516 1.00 61.85 C +ATOM 1720 CD PRO A 255 101.195 73.040 18.077 1.00 62.82 C +ATOM 1721 N GLY A 256 101.397 75.181 22.217 1.00 61.92 N +ATOM 1722 CA GLY A 256 101.454 76.478 22.885 1.00 62.20 C +ATOM 1723 C GLY A 256 102.734 77.230 22.491 1.00 59.08 C +ATOM 1724 O GLY A 256 103.811 76.644 22.443 1.00 56.06 O +ATOM 1725 N LYS A 257 102.673 78.566 22.229 1.00 59.78 N +ATOM 1726 CA LYS A 257 103.846 79.451 22.078 1.00 65.96 C +ATOM 1727 C LYS A 257 104.225 79.975 23.460 1.00 59.93 C +ATOM 1728 O LYS A 257 103.364 80.494 24.148 1.00 57.28 O +ATOM 1729 CB LYS A 257 103.548 80.597 21.097 1.00 64.35 C +ATOM 1730 CG LYS A 257 103.507 80.134 19.641 1.00 58.29 C +ATOM 1731 CD LYS A 257 103.378 81.340 18.691 1.00 55.55 C +ATOM 1732 CE LYS A 257 103.419 80.892 17.225 1.00 52.98 C +ATOM 1733 NZ LYS A 257 103.362 82.050 16.295 1.00 47.09 N +ATOM 1734 N TYR A 258 105.474 79.740 23.745 1.00 62.65 N +ATOM 1735 CA TYR A 258 106.316 80.211 24.858 1.00 64.83 C +ATOM 1736 C TYR A 258 105.717 81.051 25.982 1.00 54.83 C +ATOM 1737 O TYR A 258 105.232 82.164 25.702 1.00 48.87 O +ATOM 1738 CB TYR A 258 107.512 80.962 24.261 1.00 59.15 C +ATOM 1739 CG TYR A 258 108.394 80.063 23.406 1.00 52.40 C +ATOM 1740 CD1 TYR A 258 109.343 79.244 24.016 1.00 47.88 C +ATOM 1741 CD2 TYR A 258 108.249 80.038 21.998 1.00 47.00 C +ATOM 1742 CE1 TYR A 258 110.144 78.392 23.246 1.00 43.26 C +ATOM 1743 CE2 TYR A 258 109.042 79.177 21.224 1.00 52.27 C +ATOM 1744 CZ TYR A 258 109.999 78.354 21.845 1.00 45.90 C +ATOM 1745 OH TYR A 258 110.756 77.527 21.097 1.00 48.00 O +ATOM 1746 OXT TYR A 258 105.847 80.523 27.114 1.00 45.59 O +TER 1747 TYR A 258 +END diff --git a/protein_pdb_472.txt b/protein_pdb_472.txt new file mode 100644 index 0000000000000000000000000000000000000000..ecf009036317463a88442a64077d455e884533bb --- /dev/null +++ b/protein_pdb_472.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 -7.917 15.024 1.642 1.00 92.93 N +ATOM 2 CA GLY A 1 -8.456 13.802 1.164 1.00 93.64 C +ATOM 3 C GLY A 1 -8.292 12.647 2.127 1.00 94.34 C +ATOM 4 O GLY A 1 -7.487 12.713 3.055 1.00 92.92 O +ATOM 5 N PRO A 2 -9.008 11.605 1.904 1.00 93.53 N +ATOM 6 CA PRO A 2 -8.937 10.430 2.761 1.00 93.88 C +ATOM 7 C PRO A 2 -7.677 9.621 2.493 1.00 94.03 C +ATOM 8 O PRO A 2 -7.013 9.798 1.479 1.00 92.16 O +ATOM 9 CB PRO A 2 -10.187 9.656 2.377 1.00 91.41 C +ATOM 10 CG PRO A 2 -10.413 10.019 0.955 1.00 88.44 C +ATOM 11 CD PRO A 2 -9.984 11.461 0.836 1.00 91.45 C +HETATM 12 N HYP A 3 -7.385 8.749 3.428 1.00 94.96 N +HETATM 13 CA HYP A 3 -6.253 7.839 3.250 1.00 92.09 C +HETATM 14 C HYP A 3 -6.463 6.917 2.038 1.00 95.08 C +HETATM 15 O HYP A 3 -7.625 6.610 1.707 1.00 95.68 O +HETATM 16 CB HYP A 3 -6.287 7.002 4.559 1.00 92.75 C +HETATM 17 CG HYP A 3 -6.943 7.916 5.584 1.00 89.99 C +HETATM 18 CD HYP A 3 -7.992 8.673 4.716 1.00 92.76 C +HETATM 19 OD1 HYP A 3 -5.987 8.821 6.061 1.00 91.63 O +ATOM 20 N GLY A 4 -5.401 6.577 1.388 1.00 93.52 N +ATOM 21 CA GLY A 4 -5.470 5.684 0.266 1.00 92.88 C +ATOM 22 C GLY A 4 -5.844 4.278 0.694 1.00 93.32 C +ATOM 23 O GLY A 4 -5.903 3.967 1.883 1.00 93.13 O +ATOM 24 N PRO A 5 -6.094 3.406 -0.285 1.00 94.31 N +ATOM 25 CA PRO A 5 -6.463 2.027 0.024 1.00 93.96 C +ATOM 26 C PRO A 5 -5.279 1.236 0.554 1.00 93.81 C +ATOM 27 O PRO A 5 -4.124 1.629 0.392 1.00 92.74 O +ATOM 28 CB PRO A 5 -6.938 1.489 -1.323 1.00 92.49 C +ATOM 29 CG PRO A 5 -6.181 2.290 -2.322 1.00 90.83 C +ATOM 30 CD PRO A 5 -6.031 3.652 -1.718 1.00 93.03 C +HETATM 31 N HYP A 6 -5.597 0.108 1.200 1.00 94.76 N +HETATM 32 CA HYP A 6 -4.559 -0.803 1.650 1.00 95.49 C +HETATM 33 C HYP A 6 -3.714 -1.306 0.493 1.00 95.67 C +HETATM 34 O HYP A 6 -4.214 -1.393 -0.646 1.00 94.91 O +HETATM 35 CB HYP A 6 -5.360 -1.964 2.264 1.00 91.98 C +HETATM 36 CG HYP A 6 -6.674 -1.351 2.681 1.00 92.06 C +HETATM 37 CD HYP A 6 -6.919 -0.330 1.576 1.00 93.08 C +HETATM 38 OD1 HYP A 6 -6.517 -0.689 3.907 1.00 90.99 O +ATOM 39 N GLY A 7 -2.477 -1.570 0.743 1.00 93.82 N +ATOM 40 CA GLY A 7 -1.600 -2.104 -0.258 1.00 93.29 C +ATOM 41 C GLY A 7 -2.020 -3.502 -0.674 1.00 93.74 C +ATOM 42 O GLY A 7 -2.846 -4.141 -0.029 1.00 93.66 O +ATOM 43 N PRO A 8 -1.444 -3.984 -1.767 1.00 94.60 N +ATOM 44 CA PRO A 8 -1.805 -5.298 -2.261 1.00 94.49 C +ATOM 45 C PRO A 8 -1.258 -6.420 -1.394 1.00 94.91 C +ATOM 46 O PRO A 8 -0.248 -6.266 -0.710 1.00 93.43 O +ATOM 47 CB PRO A 8 -1.213 -5.340 -3.668 1.00 92.97 C +ATOM 48 CG PRO A 8 -0.141 -4.331 -3.657 1.00 91.82 C +ATOM 49 CD PRO A 8 -0.498 -3.299 -2.626 1.00 93.71 C +HETATM 50 N HYP A 9 -1.964 -7.584 -1.485 1.00 94.55 N +HETATM 51 CA HYP A 9 -1.545 -8.754 -0.780 1.00 93.45 C +HETATM 52 C HYP A 9 -0.253 -9.284 -1.396 1.00 95.75 C +HETATM 53 O HYP A 9 0.053 -9.029 -2.547 1.00 94.51 O +HETATM 54 CB HYP A 9 -2.604 -9.836 -1.117 1.00 90.73 C +HETATM 55 CG HYP A 9 -3.802 -9.083 -1.552 1.00 90.56 C +HETATM 56 CD HYP A 9 -3.259 -7.822 -2.158 1.00 92.19 C +HETATM 57 OD1 HYP A 9 -4.566 -8.763 -0.420 1.00 89.62 O +ATOM 58 N GLY A 10 0.486 -10.081 -0.817 1.00 92.60 N +ATOM 59 CA GLY A 10 1.629 -10.719 -1.413 1.00 91.37 C +ATOM 60 C GLY A 10 2.246 -11.740 -0.488 1.00 90.80 C +ATOM 61 O GLY A 10 1.819 -11.922 0.650 1.00 89.21 O +ATOM 62 N TYR A 11 3.281 -12.394 -1.000 1.00 92.00 N +ATOM 63 CA TYR A 11 3.931 -13.446 -0.224 1.00 92.35 C +ATOM 64 C TYR A 11 4.601 -12.918 1.038 1.00 91.44 C +ATOM 65 O TYR A 11 4.917 -13.692 1.933 1.00 88.75 O +ATOM 66 CB TYR A 11 4.940 -14.190 -1.098 1.00 91.96 C +ATOM 67 CG TYR A 11 6.204 -13.424 -1.390 1.00 87.90 C +ATOM 68 CD1 TYR A 11 6.257 -12.487 -2.413 1.00 85.45 C +ATOM 69 CD2 TYR A 11 7.356 -13.640 -0.639 1.00 83.52 C +ATOM 70 CE1 TYR A 11 7.422 -11.786 -2.684 1.00 81.29 C +ATOM 71 CE2 TYR A 11 8.528 -12.938 -0.908 1.00 81.40 C +ATOM 72 CZ TYR A 11 8.556 -12.019 -1.933 1.00 82.35 C +ATOM 73 OH TYR A 11 9.709 -11.324 -2.197 1.00 83.12 O +ATOM 74 N LYS A 12 4.847 -11.628 1.085 1.00 85.22 N +ATOM 75 CA LYS A 12 5.474 -11.044 2.268 1.00 84.70 C +ATOM 76 C LYS A 12 4.483 -10.744 3.392 1.00 84.62 C +ATOM 77 O LYS A 12 4.909 -10.385 4.491 1.00 80.36 O +ATOM 78 CB LYS A 12 6.236 -9.771 1.894 1.00 79.32 C +ATOM 79 CG LYS A 12 7.466 -10.039 1.042 1.00 76.86 C +ATOM 80 CD LYS A 12 8.332 -8.817 0.900 1.00 71.15 C +ATOM 81 CE LYS A 12 9.608 -9.147 0.138 1.00 66.82 C +ATOM 82 NZ LYS A 12 10.518 -7.981 0.074 1.00 62.51 N +ATOM 83 N GLY A 13 3.194 -10.871 3.142 1.00 92.59 N +ATOM 84 CA GLY A 13 2.232 -10.642 4.195 1.00 92.53 C +ATOM 85 C GLY A 13 0.918 -10.085 3.700 1.00 93.40 C +ATOM 86 O GLY A 13 0.627 -10.109 2.506 1.00 93.07 O +ATOM 87 N PRO A 14 0.115 -9.607 4.635 1.00 94.80 N +ATOM 88 CA PRO A 14 -1.201 -9.087 4.314 1.00 94.67 C +ATOM 89 C PRO A 14 -1.125 -7.744 3.601 1.00 94.82 C +ATOM 90 O PRO A 14 -0.041 -7.206 3.372 1.00 93.40 O +ATOM 91 CB PRO A 14 -1.865 -8.950 5.682 1.00 93.41 C +ATOM 92 CG PRO A 14 -0.731 -8.699 6.613 1.00 92.10 C +ATOM 93 CD PRO A 14 0.420 -9.501 6.065 1.00 93.30 C +HETATM 94 N HYP A 15 -2.300 -7.242 3.275 1.00 94.85 N +HETATM 95 CA HYP A 15 -2.367 -5.952 2.625 1.00 94.08 C +HETATM 96 C HYP A 15 -1.589 -4.896 3.386 1.00 96.29 C +HETATM 97 O HYP A 15 -1.545 -4.949 4.651 1.00 94.51 O +HETATM 98 CB HYP A 15 -3.858 -5.614 2.628 1.00 91.98 C +HETATM 99 CG HYP A 15 -4.543 -6.960 2.708 1.00 90.28 C +HETATM 100 CD HYP A 15 -3.606 -7.803 3.570 1.00 92.74 C +HETATM 101 OD1 HYP A 15 -4.643 -7.505 1.448 1.00 90.77 O +ATOM 102 N GLY A 16 -0.985 -4.016 2.690 1.00 95.54 N +ATOM 103 CA GLY A 16 -0.263 -2.947 3.315 1.00 95.07 C +ATOM 104 C GLY A 16 -1.201 -1.967 3.994 1.00 95.24 C +ATOM 105 O GLY A 16 -2.422 -2.059 3.852 1.00 94.84 O +ATOM 106 N PRO A 17 -0.630 -1.032 4.725 1.00 93.73 N +ATOM 107 CA PRO A 17 -1.448 -0.032 5.403 1.00 92.97 C +ATOM 108 C PRO A 17 -2.076 0.931 4.411 1.00 93.51 C +ATOM 109 O PRO A 17 -1.672 1.010 3.255 1.00 92.36 O +ATOM 110 CB PRO A 17 -0.459 0.675 6.324 1.00 91.62 C +ATOM 111 CG PRO A 17 0.862 0.443 5.709 1.00 90.16 C +ATOM 112 CD PRO A 17 0.793 -0.855 4.974 1.00 91.86 C +HETATM 113 N HYP A 18 -3.106 1.645 4.888 1.00 90.88 N +HETATM 114 CA HYP A 18 -3.695 2.659 4.081 1.00 91.37 C +HETATM 115 C HYP A 18 -2.718 3.690 3.609 1.00 92.97 C +HETATM 116 O HYP A 18 -1.728 3.987 4.334 1.00 91.99 O +HETATM 117 CB HYP A 18 -4.740 3.268 5.044 1.00 89.00 C +HETATM 118 CG HYP A 18 -5.077 2.145 6.017 1.00 88.49 C +HETATM 119 CD HYP A 18 -3.742 1.461 6.179 1.00 91.81 C +HETATM 120 OD1 HYP A 18 -6.002 1.269 5.427 1.00 89.01 O +ATOM 121 N GLY A 19 -2.896 4.184 2.442 1.00 91.33 N +ATOM 122 CA GLY A 19 -2.038 5.201 1.903 1.00 90.78 C +ATOM 123 C GLY A 19 -2.151 6.492 2.689 1.00 90.94 C +ATOM 124 O GLY A 19 -2.989 6.631 3.575 1.00 91.36 O +ATOM 125 N PRO A 20 -1.296 7.445 2.359 1.00 91.91 N +ATOM 126 CA PRO A 20 -1.311 8.721 3.069 1.00 91.57 C +ATOM 127 C PRO A 20 -2.554 9.532 2.744 1.00 91.81 C +ATOM 128 O PRO A 20 -3.194 9.328 1.721 1.00 90.99 O +ATOM 129 CB PRO A 20 -0.047 9.415 2.571 1.00 89.11 C +ATOM 130 CG PRO A 20 0.176 8.834 1.225 1.00 86.13 C +ATOM 131 CD PRO A 20 -0.291 7.407 1.313 1.00 89.09 C +HETATM 132 N HYP A 21 -2.868 10.429 3.650 1.00 92.05 N +HETATM 133 CA HYP A 21 -3.950 11.329 3.428 1.00 91.67 C +HETATM 134 C HYP A 21 -3.756 12.198 2.204 1.00 91.88 C +HETATM 135 O HYP A 21 -2.612 12.586 1.926 1.00 93.58 O +HETATM 136 CB HYP A 21 -3.971 12.213 4.694 1.00 90.11 C +HETATM 137 CG HYP A 21 -3.265 11.403 5.768 1.00 87.27 C +HETATM 138 CD HYP A 21 -2.229 10.631 4.974 1.00 91.54 C +HETATM 139 OD1 HYP A 21 -4.198 10.480 6.334 1.00 87.88 O +ATOM 140 N GLY A 22 -4.764 12.406 1.447 1.00 92.22 N +ATOM 141 CA GLY A 22 -4.696 13.319 0.343 1.00 90.36 C +ATOM 142 C GLY A 22 -4.698 14.754 0.852 1.00 90.23 C +ATOM 143 O GLY A 22 -4.879 15.002 2.043 1.00 89.88 O +ATOM 144 N PRO A 23 -4.504 15.726 -0.039 1.00 94.42 N +ATOM 145 CA PRO A 23 -4.544 17.123 0.376 1.00 93.96 C +ATOM 146 C PRO A 23 -5.978 17.525 0.683 1.00 93.20 C +ATOM 147 O PRO A 23 -6.836 17.478 -0.193 1.00 90.15 O +ATOM 148 CB PRO A 23 -3.979 17.872 -0.827 1.00 91.73 C +ATOM 149 CG PRO A 23 -4.240 16.976 -1.980 1.00 88.99 C +ATOM 150 CD PRO A 23 -4.227 15.566 -1.450 1.00 92.57 C +HETATM 151 N HYP A 24 -6.307 17.727 1.878 1.00 95.27 N +HETATM 152 CA HYP A 24 -7.720 17.599 2.340 1.00 90.90 C +HETATM 153 C HYP A 24 -8.399 16.393 2.255 1.00 94.77 C +HETATM 154 O HYP A 24 -9.642 16.400 1.754 1.00 93.95 O +HETATM 155 CB HYP A 24 -7.881 18.511 3.525 1.00 91.30 C +HETATM 156 CG HYP A 24 -6.778 19.549 3.329 1.00 90.37 C +HETATM 157 CD HYP A 24 -5.669 18.803 2.488 1.00 93.16 C +HETATM 158 OD1 HYP A 24 -6.237 20.046 4.527 1.00 90.00 O +HETATM 159 OXT HYP A 24 -8.449 15.578 3.388 1.00 89.66 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_473.txt b/protein_pdb_473.txt new file mode 100644 index 0000000000000000000000000000000000000000..3b571931d73302895ca65044e9a6a9c2abc34b78 --- /dev/null +++ b/protein_pdb_473.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -0.985 -15.327 -5.738 1.00 89.04 N +ATOM 2 CA GLY A 1 -1.314 -14.190 -6.553 1.00 89.72 C +ATOM 3 C GLY A 1 -0.239 -13.135 -6.535 1.00 90.73 C +ATOM 4 O GLY A 1 0.736 -13.251 -5.799 1.00 89.35 O +ATOM 5 N PRO A 2 -0.407 -12.064 -7.289 1.00 86.31 N +ATOM 6 CA PRO A 2 0.582 -11.002 -7.369 1.00 86.66 C +ATOM 7 C PRO A 2 0.526 -10.060 -6.170 1.00 86.22 C +ATOM 8 O PRO A 2 -0.429 -10.065 -5.408 1.00 83.83 O +ATOM 9 CB PRO A 2 0.205 -10.282 -8.662 1.00 83.38 C +ATOM 10 CG PRO A 2 -1.270 -10.472 -8.743 1.00 78.71 C +ATOM 11 CD PRO A 2 -1.516 -11.854 -8.213 1.00 79.86 C +HETATM 12 N HYP A 3 1.568 -9.254 -6.041 1.00 86.35 N +HETATM 13 CA HYP A 3 1.577 -8.256 -4.978 1.00 86.16 C +HETATM 14 C HYP A 3 0.434 -7.276 -5.123 1.00 87.59 C +HETATM 15 O HYP A 3 -0.021 -7.022 -6.254 1.00 90.79 O +HETATM 16 CB HYP A 3 2.926 -7.528 -5.214 1.00 86.40 C +HETATM 17 CG HYP A 3 3.784 -8.584 -5.869 1.00 81.94 C +HETATM 18 CD HYP A 3 2.778 -9.327 -6.782 1.00 86.70 C +HETATM 19 OD1 HYP A 3 4.250 -9.450 -4.875 1.00 84.69 O +ATOM 20 N GLY A 4 -0.053 -6.811 -4.020 1.00 91.12 N +ATOM 21 CA GLY A 4 -1.113 -5.845 -4.020 1.00 90.59 C +ATOM 22 C GLY A 4 -0.631 -4.505 -4.541 1.00 91.41 C +ATOM 23 O GLY A 4 0.563 -4.301 -4.757 1.00 91.61 O +ATOM 24 N PRO A 5 -1.557 -3.583 -4.743 1.00 90.30 N +ATOM 25 CA PRO A 5 -1.193 -2.268 -5.256 1.00 89.89 C +ATOM 26 C PRO A 5 -0.466 -1.434 -4.210 1.00 89.40 C +ATOM 27 O PRO A 5 -0.540 -1.705 -3.018 1.00 88.45 O +ATOM 28 CB PRO A 5 -2.540 -1.657 -5.618 1.00 88.84 C +ATOM 29 CG PRO A 5 -3.485 -2.297 -4.667 1.00 86.70 C +ATOM 30 CD PRO A 5 -2.988 -3.708 -4.525 1.00 88.32 C +HETATM 31 N HYP A 6 0.271 -0.427 -4.686 1.00 89.45 N +HETATM 32 CA HYP A 6 0.888 0.508 -3.777 1.00 91.08 C +HETATM 33 C HYP A 6 -0.098 1.198 -2.888 1.00 90.58 C +HETATM 34 O HYP A 6 -1.286 1.385 -3.272 1.00 90.13 O +HETATM 35 CB HYP A 6 1.548 1.525 -4.758 1.00 84.32 C +HETATM 36 CG HYP A 6 1.813 0.712 -6.015 1.00 83.97 C +HETATM 37 CD HYP A 6 0.585 -0.194 -6.078 1.00 89.07 C +HETATM 38 OD1 HYP A 6 2.961 -0.067 -5.823 1.00 86.87 O +ATOM 39 N GLY A 7 0.297 1.512 -1.713 1.00 90.24 N +ATOM 40 CA GLY A 7 -0.532 2.224 -0.780 1.00 89.67 C +ATOM 41 C GLY A 7 -0.819 3.625 -1.279 1.00 90.41 C +ATOM 42 O GLY A 7 -0.240 4.093 -2.253 1.00 90.12 O +ATOM 43 N PRO A 8 -1.723 4.299 -0.601 1.00 88.11 N +ATOM 44 CA PRO A 8 -2.076 5.649 -1.014 1.00 87.99 C +ATOM 45 C PRO A 8 -0.973 6.647 -0.696 1.00 88.01 C +ATOM 46 O PRO A 8 -0.154 6.432 0.188 1.00 86.05 O +ATOM 47 CB PRO A 8 -3.337 5.943 -0.212 1.00 85.54 C +ATOM 48 CG PRO A 8 -3.167 5.125 1.013 1.00 85.22 C +ATOM 49 CD PRO A 8 -2.491 3.861 0.552 1.00 86.09 C +HETATM 50 N HYP A 9 -0.970 7.773 -1.423 1.00 87.98 N +HETATM 51 CA HYP A 9 -0.022 8.786 -1.172 1.00 84.77 C +HETATM 52 C HYP A 9 -0.294 9.464 0.153 1.00 87.79 C +HETATM 53 O HYP A 9 -1.436 9.516 0.626 1.00 86.66 O +HETATM 54 CB HYP A 9 -0.332 9.856 -2.287 1.00 80.73 C +HETATM 55 CG HYP A 9 -1.028 9.091 -3.347 1.00 80.38 C +HETATM 56 CD HYP A 9 -1.782 8.031 -2.622 1.00 85.61 C +HETATM 57 OD1 HYP A 9 -0.056 8.477 -4.158 1.00 81.67 O +ATOM 58 N GLY A 10 0.703 9.927 0.790 1.00 87.12 N +ATOM 59 CA GLY A 10 0.523 10.753 1.958 1.00 84.66 C +ATOM 60 C GLY A 10 0.034 12.118 1.530 1.00 85.19 C +ATOM 61 O GLY A 10 -0.230 12.362 0.352 1.00 82.97 O +ATOM 62 N CYS A 11 -0.077 13.023 2.476 1.00 82.38 N +ATOM 63 CA CYS A 11 -0.516 14.374 2.138 1.00 87.28 C +ATOM 64 C CYS A 11 0.304 14.944 1.002 1.00 87.64 C +ATOM 65 O CYS A 11 -0.226 15.608 0.111 1.00 85.21 O +ATOM 66 CB CYS A 11 -0.423 15.282 3.364 1.00 85.39 C +ATOM 67 SG CYS A 11 -1.546 14.785 4.672 1.00 79.02 S +ATOM 68 N SER A 12 1.605 14.682 1.042 1.00 84.75 N +ATOM 69 CA SER A 12 2.510 15.111 -0.017 1.00 87.45 C +ATOM 70 C SER A 12 3.634 14.090 -0.137 1.00 88.99 C +ATOM 71 O SER A 12 4.781 14.431 -0.414 1.00 83.75 O +ATOM 72 CB SER A 12 3.074 16.504 0.282 1.00 82.71 C +ATOM 73 OG SER A 12 3.770 16.502 1.504 1.00 75.48 O +ATOM 74 N GLY A 13 3.300 12.846 0.086 1.00 92.04 N +ATOM 75 CA GLY A 13 4.292 11.795 0.115 1.00 90.93 C +ATOM 76 C GLY A 13 4.064 10.721 -0.929 1.00 91.86 C +ATOM 77 O GLY A 13 3.057 10.725 -1.632 1.00 91.92 O +ATOM 78 N PRO A 14 5.001 9.804 -1.037 1.00 91.13 N +ATOM 79 CA PRO A 14 4.922 8.747 -2.031 1.00 90.87 C +ATOM 80 C PRO A 14 3.913 7.679 -1.654 1.00 91.00 C +ATOM 81 O PRO A 14 3.494 7.575 -0.509 1.00 88.78 O +ATOM 82 CB PRO A 14 6.340 8.180 -2.047 1.00 89.38 C +ATOM 83 CG PRO A 14 6.800 8.364 -0.645 1.00 87.93 C +ATOM 84 CD PRO A 14 6.221 9.697 -0.230 1.00 88.67 C +HETATM 85 N HYP A 15 3.568 6.915 -2.644 1.00 91.29 N +HETATM 86 CA HYP A 15 2.717 5.772 -2.390 1.00 91.75 C +HETATM 87 C HYP A 15 3.382 4.782 -1.481 1.00 92.59 C +HETATM 88 O HYP A 15 4.623 4.716 -1.419 1.00 92.13 O +HETATM 89 CB HYP A 15 2.627 5.180 -3.836 1.00 88.44 C +HETATM 90 CG HYP A 15 2.836 6.353 -4.759 1.00 86.81 C +HETATM 91 CD HYP A 15 3.878 7.164 -4.048 1.00 90.83 C +HETATM 92 OD1 HYP A 15 1.654 7.079 -4.880 1.00 87.96 O +ATOM 93 N GLY A 16 2.599 4.078 -0.759 1.00 92.93 N +ATOM 94 CA GLY A 16 3.122 3.037 0.078 1.00 92.68 C +ATOM 95 C GLY A 16 3.625 1.881 -0.762 1.00 93.50 C +ATOM 96 O GLY A 16 3.452 1.854 -1.981 1.00 93.30 O +ATOM 97 N PRO A 17 4.254 0.912 -0.103 1.00 89.44 N +ATOM 98 CA PRO A 17 4.777 -0.236 -0.823 1.00 89.27 C +ATOM 99 C PRO A 17 3.669 -1.149 -1.319 1.00 89.82 C +ATOM 100 O PRO A 17 2.543 -1.089 -0.841 1.00 87.90 O +ATOM 101 CB PRO A 17 5.655 -0.926 0.215 1.00 88.30 C +ATOM 102 CG PRO A 17 5.022 -0.565 1.504 1.00 86.74 C +ATOM 103 CD PRO A 17 4.530 0.844 1.328 1.00 87.59 C +HETATM 104 N HYP A 18 4.015 -1.992 -2.299 1.00 88.15 N +HETATM 105 CA HYP A 18 3.072 -2.973 -2.744 1.00 89.39 C +HETATM 106 C HYP A 18 2.644 -3.892 -1.654 1.00 89.68 C +HETATM 107 O HYP A 18 3.411 -4.155 -0.712 1.00 89.34 O +HETATM 108 CB HYP A 18 3.904 -3.771 -3.799 1.00 86.89 C +HETATM 109 CG HYP A 18 4.904 -2.775 -4.308 1.00 84.72 C +HETATM 110 CD HYP A 18 5.244 -1.991 -3.055 1.00 89.06 C +HETATM 111 OD1 HYP A 18 4.280 -1.923 -5.250 1.00 86.74 O +ATOM 112 N GLY A 19 1.425 -4.312 -1.729 1.00 88.32 N +ATOM 113 CA GLY A 19 0.898 -5.241 -0.768 1.00 87.55 C +ATOM 114 C GLY A 19 1.564 -6.593 -0.903 1.00 87.92 C +ATOM 115 O GLY A 19 2.336 -6.832 -1.826 1.00 88.68 O +ATOM 116 N PRO A 20 1.253 -7.488 0.021 1.00 79.42 N +ATOM 117 CA PRO A 20 1.843 -8.815 -0.023 1.00 79.66 C +ATOM 118 C PRO A 20 1.272 -9.638 -1.163 1.00 79.01 C +ATOM 119 O PRO A 20 0.223 -9.318 -1.710 1.00 79.18 O +ATOM 120 CB PRO A 20 1.463 -9.401 1.331 1.00 78.46 C +ATOM 121 CG PRO A 20 0.186 -8.717 1.661 1.00 76.48 C +ATOM 122 CD PRO A 20 0.349 -7.319 1.142 1.00 76.18 C +HETATM 123 N HYP A 21 1.989 -10.695 -1.519 1.00 87.05 N +HETATM 124 CA HYP A 21 1.483 -11.591 -2.519 1.00 86.56 C +HETATM 125 C HYP A 21 0.143 -12.191 -2.153 1.00 87.49 C +HETATM 126 O HYP A 21 -0.117 -12.403 -0.979 1.00 90.87 O +HETATM 127 CB HYP A 21 2.532 -12.692 -2.623 1.00 84.05 C +HETATM 128 CG HYP A 21 3.800 -12.030 -2.186 1.00 79.10 C +HETATM 129 CD HYP A 21 3.340 -11.077 -1.096 1.00 86.58 C +HETATM 130 OD1 HYP A 21 4.328 -11.253 -3.262 1.00 81.89 O +ATOM 131 N GLY A 22 -0.710 -12.324 -3.121 1.00 87.42 N +ATOM 132 CA GLY A 22 -2.006 -12.894 -2.903 1.00 84.89 C +ATOM 133 C GLY A 22 -1.891 -14.385 -2.643 1.00 85.02 C +ATOM 134 O GLY A 22 -0.804 -14.956 -2.701 1.00 84.84 O +ATOM 135 N PRO A 23 -3.009 -15.036 -2.382 1.00 91.40 N +ATOM 136 CA PRO A 23 -2.995 -16.477 -2.155 1.00 91.26 C +ATOM 137 C PRO A 23 -2.505 -17.201 -3.390 1.00 89.84 C +ATOM 138 O PRO A 23 -2.884 -16.846 -4.502 1.00 86.44 O +ATOM 139 CB PRO A 23 -4.455 -16.806 -1.873 1.00 88.53 C +ATOM 140 CG PRO A 23 -5.069 -15.511 -1.482 1.00 85.72 C +ATOM 141 CD PRO A 23 -4.337 -14.476 -2.266 1.00 88.25 C +HETATM 142 N HYP A 24 -1.693 -18.085 -3.299 1.00 91.58 N +HETATM 143 CA HYP A 24 -1.112 -18.710 -4.525 1.00 86.83 C +HETATM 144 C HYP A 24 -0.789 -17.764 -5.578 1.00 90.85 C +HETATM 145 O HYP A 24 -1.093 -17.950 -6.789 1.00 86.39 O +HETATM 146 CB HYP A 24 -0.432 -19.842 -4.059 1.00 87.31 C +HETATM 147 CG HYP A 24 -1.169 -20.234 -2.754 1.00 85.83 C +HETATM 148 CD HYP A 24 -1.793 -18.941 -2.241 1.00 90.58 C +HETATM 149 OD1 HYP A 24 -0.269 -20.691 -1.775 1.00 86.68 O +HETATM 150 OXT HYP A 24 0.195 -16.904 -5.401 1.00 84.87 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_474.txt b/protein_pdb_474.txt new file mode 100644 index 0000000000000000000000000000000000000000..ec7fcc7eb8034ab736346e22a15e36639c96839c --- /dev/null +++ b/protein_pdb_474.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 7.654 -7.685 -10.177 1.00 90.51 N +ATOM 2 CA GLY A 1 6.921 -6.481 -10.331 1.00 90.64 C +ATOM 3 C GLY A 1 7.298 -5.386 -9.360 1.00 90.93 C +ATOM 4 O GLY A 1 8.001 -5.619 -8.377 1.00 88.64 O +ATOM 5 N PRO A 2 6.821 -4.221 -9.626 1.00 89.51 N +ATOM 6 CA PRO A 2 7.089 -3.084 -8.773 1.00 89.89 C +ATOM 7 C PRO A 2 6.285 -3.154 -7.484 1.00 89.73 C +ATOM 8 O PRO A 2 5.363 -3.951 -7.354 1.00 87.19 O +ATOM 9 CB PRO A 2 6.656 -1.903 -9.637 1.00 86.38 C +ATOM 10 CG PRO A 2 5.564 -2.472 -10.462 1.00 83.59 C +ATOM 11 CD PRO A 2 6.005 -3.871 -10.779 1.00 85.61 C +HETATM 12 N HYP A 3 6.658 -2.296 -6.562 1.00 90.47 N +HETATM 13 CA HYP A 3 5.903 -2.248 -5.306 1.00 87.95 C +HETATM 14 C HYP A 3 4.470 -1.832 -5.551 1.00 89.25 C +HETATM 15 O HYP A 3 4.181 -1.116 -6.537 1.00 92.39 O +HETATM 16 CB HYP A 3 6.651 -1.088 -4.542 1.00 88.51 C +HETATM 17 CG HYP A 3 8.045 -1.134 -5.101 1.00 85.73 C +HETATM 18 CD HYP A 3 7.804 -1.456 -6.599 1.00 89.87 C +HETATM 19 OD1 HYP A 3 8.724 -2.195 -4.514 1.00 87.99 O +ATOM 20 N GLY A 4 3.598 -2.357 -4.727 1.00 93.00 N +ATOM 21 CA GLY A 4 2.211 -2.025 -4.852 1.00 92.35 C +ATOM 22 C GLY A 4 1.962 -0.574 -4.492 1.00 92.64 C +ATOM 23 O GLY A 4 2.855 0.123 -4.004 1.00 92.61 O +ATOM 24 N PRO A 5 0.746 -0.105 -4.729 1.00 91.30 N +ATOM 25 CA PRO A 5 0.410 1.275 -4.413 1.00 90.68 C +ATOM 26 C PRO A 5 0.303 1.490 -2.914 1.00 90.41 C +ATOM 27 O PRO A 5 0.203 0.541 -2.145 1.00 88.70 O +ATOM 28 CB PRO A 5 -0.936 1.470 -5.099 1.00 88.52 C +ATOM 29 CG PRO A 5 -1.537 0.109 -5.077 1.00 87.73 C +ATOM 30 CD PRO A 5 -0.385 -0.830 -5.298 1.00 90.21 C +HETATM 31 N HYP A 6 0.358 2.761 -2.535 1.00 91.19 N +HETATM 32 CA HYP A 6 0.157 3.079 -1.130 1.00 93.45 C +HETATM 33 C HYP A 6 -1.170 2.606 -0.621 1.00 92.46 C +HETATM 34 O HYP A 6 -2.161 2.565 -1.405 1.00 91.95 O +HETATM 35 CB HYP A 6 0.221 4.626 -1.156 1.00 86.66 C +HETATM 36 CG HYP A 6 1.086 4.938 -2.349 1.00 86.65 C +HETATM 37 CD HYP A 6 0.637 3.904 -3.359 1.00 90.81 C +HETATM 38 OD1 HYP A 6 2.429 4.716 -2.011 1.00 88.42 O +ATOM 39 N GLY A 7 -1.184 2.166 0.593 1.00 91.51 N +ATOM 40 CA GLY A 7 -2.395 1.697 1.193 1.00 90.46 C +ATOM 41 C GLY A 7 -3.398 2.822 1.348 1.00 91.12 C +ATOM 42 O GLY A 7 -3.103 3.986 1.077 1.00 90.48 O +ATOM 43 N PRO A 8 -4.594 2.475 1.773 1.00 90.72 N +ATOM 44 CA PRO A 8 -5.632 3.486 1.946 1.00 90.46 C +ATOM 45 C PRO A 8 -5.353 4.363 3.147 1.00 90.61 C +ATOM 46 O PRO A 8 -4.631 3.993 4.063 1.00 88.53 O +ATOM 47 CB PRO A 8 -6.895 2.658 2.149 1.00 87.56 C +ATOM 48 CG PRO A 8 -6.396 1.417 2.793 1.00 86.42 C +ATOM 49 CD PRO A 8 -5.067 1.145 2.130 1.00 88.69 C +HETATM 50 N HYP A 9 -5.947 5.545 3.125 1.00 90.17 N +HETATM 51 CA HYP A 9 -5.832 6.417 4.253 1.00 88.19 C +HETATM 52 C HYP A 9 -6.522 5.836 5.448 1.00 90.35 C +HETATM 53 O HYP A 9 -7.492 5.070 5.312 1.00 90.57 O +HETATM 54 CB HYP A 9 -6.645 7.670 3.786 1.00 83.20 C +HETATM 55 CG HYP A 9 -6.598 7.624 2.314 1.00 83.66 C +HETATM 56 CD HYP A 9 -6.656 6.174 1.992 1.00 89.66 C +HETATM 57 OD1 HYP A 9 -5.358 8.139 1.884 1.00 83.00 O +ATOM 58 N GLY A 10 -6.026 6.112 6.601 1.00 90.43 N +ATOM 59 CA GLY A 10 -6.763 5.786 7.793 1.00 87.67 C +ATOM 60 C GLY A 10 -7.933 6.745 7.888 1.00 88.33 C +ATOM 61 O GLY A 10 -8.236 7.491 6.960 1.00 86.57 O +ATOM 62 N ILE A 11 -8.586 6.761 9.012 1.00 91.04 N +ATOM 63 CA ILE A 11 -9.666 7.715 9.206 1.00 91.31 C +ATOM 64 C ILE A 11 -9.003 9.073 9.407 1.00 90.83 C +ATOM 65 O ILE A 11 -8.491 9.363 10.483 1.00 87.79 O +ATOM 66 CB ILE A 11 -10.541 7.328 10.404 1.00 89.94 C +ATOM 67 CG1 ILE A 11 -11.143 5.942 10.171 1.00 86.56 C +ATOM 68 CG2 ILE A 11 -11.635 8.368 10.606 1.00 84.04 C +ATOM 69 CD1 ILE A 11 -11.878 5.394 11.372 1.00 78.69 C +ATOM 70 N LEU A 12 -8.982 9.848 8.337 1.00 91.38 N +ATOM 71 CA LEU A 12 -8.246 11.112 8.303 1.00 92.56 C +ATOM 72 C LEU A 12 -6.778 10.896 8.620 1.00 92.43 C +ATOM 73 O LEU A 12 -6.132 11.712 9.284 1.00 88.94 O +ATOM 74 CB LEU A 12 -8.865 12.147 9.251 1.00 89.80 C +ATOM 75 CG LEU A 12 -10.296 12.558 8.908 1.00 84.18 C +ATOM 76 CD1 LEU A 12 -10.831 13.527 9.949 1.00 82.91 C +ATOM 77 CD2 LEU A 12 -10.365 13.177 7.524 1.00 79.27 C +ATOM 78 N GLY A 13 -6.242 9.782 8.129 1.00 94.16 N +ATOM 79 CA GLY A 13 -4.850 9.447 8.343 1.00 93.59 C +ATOM 80 C GLY A 13 -4.108 9.323 7.031 1.00 94.14 C +ATOM 81 O GLY A 13 -4.711 9.373 5.958 1.00 94.13 O +ATOM 82 N PRO A 14 -2.793 9.176 7.100 1.00 93.63 N +ATOM 83 CA PRO A 14 -1.988 9.068 5.895 1.00 93.27 C +ATOM 84 C PRO A 14 -2.194 7.733 5.199 1.00 93.41 C +ATOM 85 O PRO A 14 -2.675 6.776 5.797 1.00 91.88 O +ATOM 86 CB PRO A 14 -0.560 9.212 6.405 1.00 91.29 C +ATOM 87 CG PRO A 14 -0.628 8.657 7.778 1.00 90.63 C +ATOM 88 CD PRO A 14 -1.967 9.094 8.307 1.00 92.03 C +HETATM 89 N HYP A 15 -1.803 7.731 3.942 1.00 92.67 N +HETATM 90 CA HYP A 15 -1.814 6.463 3.212 1.00 93.56 C +HETATM 91 C HYP A 15 -0.916 5.443 3.818 1.00 94.38 C +HETATM 92 O HYP A 15 0.098 5.816 4.467 1.00 93.29 O +HETATM 93 CB HYP A 15 -1.289 6.923 1.823 1.00 89.66 C +HETATM 94 CG HYP A 15 -1.641 8.392 1.746 1.00 87.79 C +HETATM 95 CD HYP A 15 -1.430 8.868 3.151 1.00 91.55 C +HETATM 96 OD1 HYP A 15 -2.976 8.552 1.376 1.00 89.28 O +ATOM 97 N GLY A 16 -1.271 4.216 3.666 1.00 93.83 N +ATOM 98 CA GLY A 16 -0.434 3.154 4.141 1.00 93.15 C +ATOM 99 C GLY A 16 0.814 3.030 3.297 1.00 93.74 C +ATOM 100 O GLY A 16 0.973 3.724 2.293 1.00 93.50 O +ATOM 101 N PRO A 17 1.724 2.140 3.705 1.00 92.11 N +ATOM 102 CA PRO A 17 2.956 1.957 2.956 1.00 91.65 C +ATOM 103 C PRO A 17 2.702 1.249 1.638 1.00 92.13 C +ATOM 104 O PRO A 17 1.669 0.616 1.446 1.00 90.54 O +ATOM 105 CB PRO A 17 3.805 1.104 3.891 1.00 89.77 C +ATOM 106 CG PRO A 17 2.805 0.334 4.666 1.00 88.97 C +ATOM 107 CD PRO A 17 1.653 1.276 4.869 1.00 90.41 C +HETATM 108 N HYP A 18 3.649 1.402 0.709 1.00 86.69 N +HETATM 109 CA HYP A 18 3.573 0.662 -0.507 1.00 88.36 C +HETATM 110 C HYP A 18 3.520 -0.809 -0.291 1.00 89.77 C +HETATM 111 O HYP A 18 4.070 -1.327 0.703 1.00 90.54 O +HETATM 112 CB HYP A 18 4.896 1.071 -1.206 1.00 85.74 C +HETATM 113 CG HYP A 18 5.213 2.432 -0.657 1.00 84.54 C +HETATM 114 CD HYP A 18 4.766 2.299 0.788 1.00 89.54 C +HETATM 115 OD1 HYP A 18 4.414 3.413 -1.303 1.00 88.06 O +ATOM 116 N GLY A 19 2.829 -1.491 -1.157 1.00 87.34 N +ATOM 117 CA GLY A 19 2.749 -2.916 -1.090 1.00 86.67 C +ATOM 118 C GLY A 19 4.087 -3.549 -1.413 1.00 86.64 C +ATOM 119 O GLY A 19 5.020 -2.880 -1.848 1.00 87.59 O +ATOM 120 N PRO A 20 4.195 -4.852 -1.202 1.00 83.90 N +ATOM 121 CA PRO A 20 5.434 -5.545 -1.488 1.00 83.37 C +ATOM 122 C PRO A 20 5.677 -5.650 -2.983 1.00 82.94 C +ATOM 123 O PRO A 20 4.752 -5.502 -3.781 1.00 83.70 O +ATOM 124 CB PRO A 20 5.218 -6.919 -0.859 1.00 80.88 C +ATOM 125 CG PRO A 20 3.742 -7.105 -0.935 1.00 78.74 C +ATOM 126 CD PRO A 20 3.166 -5.738 -0.691 1.00 80.55 C +HETATM 127 N HYP A 21 6.931 -5.885 -3.326 1.00 89.06 N +HETATM 128 CA HYP A 21 7.245 -6.110 -4.709 1.00 88.09 C +HETATM 129 C HYP A 21 6.479 -7.263 -5.318 1.00 86.65 C +HETATM 130 O HYP A 21 6.204 -8.249 -4.632 1.00 90.69 O +HETATM 131 CB HYP A 21 8.735 -6.465 -4.683 1.00 85.81 C +HETATM 132 CG HYP A 21 9.251 -5.813 -3.445 1.00 80.75 C +HETATM 133 CD HYP A 21 8.106 -5.948 -2.471 1.00 88.83 C +HETATM 134 OD1 HYP A 21 9.454 -4.411 -3.689 1.00 81.40 O +ATOM 135 N GLY A 22 6.048 -7.108 -6.534 1.00 87.04 N +ATOM 136 CA GLY A 22 5.370 -8.165 -7.223 1.00 84.35 C +ATOM 137 C GLY A 22 6.350 -9.263 -7.590 1.00 83.84 C +ATOM 138 O GLY A 22 7.554 -9.131 -7.381 1.00 83.76 O +ATOM 139 N PRO A 23 5.856 -10.360 -8.161 1.00 89.70 N +ATOM 140 CA PRO A 23 6.728 -11.454 -8.573 1.00 89.65 C +ATOM 141 C PRO A 23 7.471 -11.081 -9.848 1.00 88.20 C +ATOM 142 O PRO A 23 6.905 -11.114 -10.932 1.00 84.98 O +ATOM 143 CB PRO A 23 5.755 -12.610 -8.776 1.00 86.42 C +ATOM 144 CG PRO A 23 4.486 -11.943 -9.169 1.00 83.28 C +ATOM 145 CD PRO A 23 4.458 -10.646 -8.401 1.00 86.71 C +HETATM 146 N HYP A 24 8.628 -10.572 -9.728 1.00 93.57 N +HETATM 147 CA HYP A 24 9.397 -9.627 -10.605 1.00 87.73 C +HETATM 148 C HYP A 24 8.977 -8.409 -10.945 1.00 92.05 C +HETATM 149 O HYP A 24 9.754 -7.350 -10.889 1.00 91.04 O +HETATM 150 CB HYP A 24 10.660 -10.250 -11.013 1.00 86.03 C +HETATM 151 CG HYP A 24 10.576 -11.668 -10.521 1.00 86.28 C +HETATM 152 CD HYP A 24 9.338 -11.735 -9.565 1.00 90.06 C +HETATM 153 OD1 HYP A 24 11.720 -12.033 -9.797 1.00 87.56 O +HETATM 154 OXT HYP A 24 8.344 -8.245 -12.107 1.00 86.45 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_475.txt b/protein_pdb_475.txt new file mode 100644 index 0000000000000000000000000000000000000000..5d44947508069407ec07e71ee66a5f2bbf7cbb32 --- /dev/null +++ b/protein_pdb_475.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 11.498 -3.573 -9.151 1.00 78.11 N +ATOM 2 CA GLY A 1 10.933 -2.242 -9.294 1.00 79.84 C +ATOM 3 C GLY A 1 10.648 -1.624 -7.952 1.00 80.73 C +ATOM 4 O GLY A 1 10.863 -2.256 -6.913 1.00 77.06 O +ATOM 5 N PRO A 2 10.162 -0.409 -7.948 1.00 81.11 N +ATOM 6 CA PRO A 2 9.881 0.277 -6.691 1.00 82.99 C +ATOM 7 C PRO A 2 8.687 -0.321 -5.974 1.00 83.13 C +ATOM 8 O PRO A 2 7.875 -1.024 -6.559 1.00 80.41 O +ATOM 9 CB PRO A 2 9.597 1.710 -7.130 1.00 79.11 C +ATOM 10 CG PRO A 2 9.070 1.563 -8.510 1.00 74.81 C +ATOM 11 CD PRO A 2 9.833 0.421 -9.109 1.00 74.17 C +HETATM 12 N HYP A 3 8.624 -0.054 -4.721 1.00 81.87 N +HETATM 13 CA HYP A 3 7.430 -0.448 -3.940 1.00 82.95 C +HETATM 14 C HYP A 3 6.196 0.127 -4.500 1.00 85.25 C +HETATM 15 O HYP A 3 6.200 1.220 -5.117 1.00 87.22 O +HETATM 16 CB HYP A 3 7.764 0.147 -2.540 1.00 81.91 C +HETATM 17 CG HYP A 3 9.259 0.176 -2.491 1.00 77.98 C +HETATM 18 CD HYP A 3 9.636 0.577 -3.927 1.00 83.33 C +HETATM 19 OD1 HYP A 3 9.731 -1.110 -2.223 1.00 81.95 O +ATOM 20 N GLY A 4 5.122 -0.605 -4.353 1.00 87.90 N +ATOM 21 CA GLY A 4 3.845 -0.138 -4.805 1.00 87.25 C +ATOM 22 C GLY A 4 3.384 1.058 -3.997 1.00 87.54 C +ATOM 23 O GLY A 4 3.976 1.406 -2.978 1.00 87.12 O +ATOM 24 N PRO A 5 2.319 1.697 -4.453 1.00 86.60 N +ATOM 25 CA PRO A 5 1.801 2.856 -3.742 1.00 86.08 C +ATOM 26 C PRO A 5 1.128 2.456 -2.442 1.00 86.31 C +ATOM 27 O PRO A 5 0.769 1.303 -2.240 1.00 84.53 O +ATOM 28 CB PRO A 5 0.803 3.447 -4.729 1.00 83.27 C +ATOM 29 CG PRO A 5 0.336 2.275 -5.514 1.00 81.66 C +ATOM 30 CD PRO A 5 1.531 1.379 -5.644 1.00 83.19 C +HETATM 31 N HYP A 6 0.983 3.436 -1.567 1.00 86.19 N +HETATM 32 CA HYP A 6 0.247 3.198 -0.347 1.00 92.35 C +HETATM 33 C HYP A 6 -1.170 2.781 -0.609 1.00 89.36 C +HETATM 34 O HYP A 6 -1.778 3.219 -1.626 1.00 89.76 O +HETATM 35 CB HYP A 6 0.261 4.623 0.313 1.00 86.43 C +HETATM 36 CG HYP A 6 1.506 5.252 -0.232 1.00 81.91 C +HETATM 37 CD HYP A 6 1.530 4.767 -1.665 1.00 84.26 C +HETATM 38 OD1 HYP A 6 2.625 4.744 0.459 1.00 86.52 O +ATOM 39 N GLY A 7 -1.648 1.915 0.212 1.00 88.91 N +ATOM 40 CA GLY A 7 -3.008 1.472 0.093 1.00 87.36 C +ATOM 41 C GLY A 7 -3.982 2.594 0.379 1.00 87.52 C +ATOM 42 O GLY A 7 -3.593 3.684 0.811 1.00 86.27 O +ATOM 43 N PRO A 8 -5.245 2.344 0.140 1.00 85.92 N +ATOM 44 CA PRO A 8 -6.254 3.366 0.379 1.00 84.86 C +ATOM 45 C PRO A 8 -6.494 3.576 1.864 1.00 84.21 C +ATOM 46 O PRO A 8 -6.201 2.719 2.684 1.00 81.90 O +ATOM 47 CB PRO A 8 -7.495 2.800 -0.301 1.00 81.77 C +ATOM 48 CG PRO A 8 -7.310 1.333 -0.207 1.00 81.49 C +ATOM 49 CD PRO A 8 -5.829 1.106 -0.367 1.00 82.98 C +HETATM 50 N HYP A 9 -7.051 4.745 2.201 1.00 79.47 N +HETATM 51 CA HYP A 9 -7.415 5.014 3.533 1.00 87.79 C +HETATM 52 C HYP A 9 -8.550 4.103 3.988 1.00 83.25 C +HETATM 53 O HYP A 9 -9.404 3.718 3.171 1.00 82.92 O +HETATM 54 CB HYP A 9 -8.019 6.465 3.448 1.00 77.89 C +HETATM 55 CG HYP A 9 -7.379 7.046 2.251 1.00 75.74 C +HETATM 56 CD HYP A 9 -7.246 5.919 1.335 1.00 78.31 C +HETATM 57 OD1 HYP A 9 -6.097 7.525 2.599 1.00 79.07 O +ATOM 58 N GLY A 10 -8.531 3.715 5.199 1.00 86.33 N +ATOM 59 CA GLY A 10 -9.668 3.042 5.772 1.00 81.97 C +ATOM 60 C GLY A 10 -10.774 4.046 6.039 1.00 81.33 C +ATOM 61 O GLY A 10 -10.659 5.225 5.701 1.00 78.61 O +ATOM 62 N ASN A 11 -11.841 3.579 6.661 1.00 80.94 N +ATOM 63 CA ASN A 11 -12.931 4.500 6.967 1.00 82.96 C +ATOM 64 C ASN A 11 -12.471 5.669 7.828 1.00 82.05 C +ATOM 65 O ASN A 11 -12.873 6.805 7.602 1.00 78.78 O +ATOM 66 CB ASN A 11 -14.063 3.756 7.669 1.00 78.65 C +ATOM 67 CG ASN A 11 -14.807 2.837 6.736 1.00 73.45 C +ATOM 68 OD1 ASN A 11 -14.988 3.139 5.555 1.00 70.42 O +ATOM 69 ND2 ASN A 11 -15.262 1.718 7.253 1.00 68.79 N +ATOM 70 N LEU A 12 -11.634 5.365 8.804 1.00 80.30 N +ATOM 71 CA LEU A 12 -11.097 6.370 9.714 1.00 83.91 C +ATOM 72 C LEU A 12 -9.612 6.136 9.961 1.00 83.88 C +ATOM 73 O LEU A 12 -9.104 6.415 11.044 1.00 77.92 O +ATOM 74 CB LEU A 12 -11.852 6.351 11.044 1.00 79.88 C +ATOM 75 CG LEU A 12 -13.292 6.852 11.029 1.00 73.38 C +ATOM 76 CD1 LEU A 12 -13.961 6.572 12.357 1.00 71.47 C +ATOM 77 CD2 LEU A 12 -13.334 8.348 10.737 1.00 67.58 C +ATOM 78 N GLY A 13 -8.912 5.616 8.968 1.00 87.06 N +ATOM 79 CA GLY A 13 -7.536 5.211 9.175 1.00 85.69 C +ATOM 80 C GLY A 13 -6.585 5.716 8.120 1.00 86.34 C +ATOM 81 O GLY A 13 -6.991 6.241 7.084 1.00 85.82 O +ATOM 82 N PRO A 14 -5.308 5.558 8.388 1.00 86.33 N +ATOM 83 CA PRO A 14 -4.281 5.985 7.460 1.00 85.47 C +ATOM 84 C PRO A 14 -4.217 5.074 6.255 1.00 85.51 C +ATOM 85 O PRO A 14 -4.794 3.992 6.240 1.00 83.25 O +ATOM 86 CB PRO A 14 -3.002 5.893 8.283 1.00 82.61 C +ATOM 87 CG PRO A 14 -3.278 4.783 9.232 1.00 83.52 C +ATOM 88 CD PRO A 14 -4.738 4.919 9.578 1.00 83.39 C +HETATM 89 N HYP A 15 -3.491 5.563 5.290 1.00 86.47 N +HETATM 90 CA HYP A 15 -3.241 4.709 4.136 1.00 87.36 C +HETATM 91 C HYP A 15 -2.566 3.446 4.501 1.00 89.78 C +HETATM 92 O HYP A 15 -1.841 3.403 5.522 1.00 87.82 O +HETATM 93 CB HYP A 15 -2.293 5.650 3.316 1.00 86.52 C +HETATM 94 CG HYP A 15 -2.665 7.042 3.764 1.00 80.40 C +HETATM 95 CD HYP A 15 -2.948 6.872 5.217 1.00 85.68 C +HETATM 96 OD1 HYP A 15 -3.817 7.470 3.087 1.00 84.78 O +ATOM 97 N GLY A 16 -2.829 2.426 3.737 1.00 91.53 N +ATOM 98 CA GLY A 16 -2.174 1.171 3.951 1.00 90.65 C +ATOM 99 C GLY A 16 -0.701 1.259 3.620 1.00 91.64 C +ATOM 100 O GLY A 16 -0.219 2.278 3.122 1.00 91.13 O +ATOM 101 N PRO A 17 0.029 0.181 3.904 1.00 89.81 N +ATOM 102 CA PRO A 17 1.455 0.175 3.626 1.00 89.05 C +ATOM 103 C PRO A 17 1.728 0.106 2.139 1.00 90.23 C +ATOM 104 O PRO A 17 0.875 -0.278 1.351 1.00 88.46 O +ATOM 105 CB PRO A 17 1.942 -1.075 4.346 1.00 86.69 C +ATOM 106 CG PRO A 17 0.767 -1.970 4.348 1.00 87.31 C +ATOM 107 CD PRO A 17 -0.428 -1.074 4.492 1.00 88.27 C +HETATM 108 N HYP A 18 2.927 0.496 1.764 1.00 81.79 N +HETATM 109 CA HYP A 18 3.343 0.341 0.416 1.00 90.66 C +HETATM 110 C HYP A 18 3.290 -1.079 -0.037 1.00 85.47 C +HETATM 111 O HYP A 18 3.506 -2.019 0.772 1.00 88.49 O +HETATM 112 CB HYP A 18 4.803 0.838 0.463 1.00 86.67 C +HETATM 113 CG HYP A 18 4.827 1.798 1.621 1.00 83.88 C +HETATM 114 CD HYP A 18 3.904 1.139 2.604 1.00 88.91 C +HETATM 115 OD1 HYP A 18 4.278 3.038 1.213 1.00 86.78 O +ATOM 116 N GLY A 19 2.999 -1.268 -1.283 1.00 87.74 N +ATOM 117 CA GLY A 19 2.996 -2.578 -1.861 1.00 87.07 C +ATOM 118 C GLY A 19 4.404 -3.130 -1.964 1.00 87.84 C +ATOM 119 O GLY A 19 5.383 -2.441 -1.706 1.00 87.28 O +ATOM 120 N PRO A 20 4.501 -4.392 -2.340 1.00 77.80 N +ATOM 121 CA PRO A 20 5.806 -5.014 -2.476 1.00 77.67 C +ATOM 122 C PRO A 20 6.553 -4.467 -3.677 1.00 77.44 C +ATOM 123 O PRO A 20 5.964 -3.860 -4.567 1.00 77.70 O +ATOM 124 CB PRO A 20 5.467 -6.491 -2.649 1.00 75.07 C +ATOM 125 CG PRO A 20 4.118 -6.478 -3.268 1.00 72.21 C +ATOM 126 CD PRO A 20 3.410 -5.299 -2.670 1.00 72.17 C +HETATM 127 N HYP A 21 7.850 -4.685 -3.669 1.00 79.26 N +HETATM 128 CA HYP A 21 8.637 -4.314 -4.813 1.00 82.79 C +HETATM 129 C HYP A 21 8.156 -4.923 -6.111 1.00 78.55 C +HETATM 130 O HYP A 21 7.675 -6.067 -6.102 1.00 87.13 O +HETATM 131 CB HYP A 21 10.035 -4.824 -4.467 1.00 80.29 C +HETATM 132 CG HYP A 21 10.055 -4.832 -2.964 1.00 75.73 C +HETATM 133 CD HYP A 21 8.670 -5.241 -2.600 1.00 83.13 C +HETATM 134 OD1 HYP A 21 10.257 -3.493 -2.487 1.00 81.86 O +ATOM 135 N GLY A 22 8.154 -4.144 -7.161 1.00 80.94 N +ATOM 136 CA GLY A 22 7.759 -4.624 -8.453 1.00 77.55 C +ATOM 137 C GLY A 22 8.772 -5.604 -9.010 1.00 76.94 C +ATOM 138 O GLY A 22 9.789 -5.886 -8.383 1.00 75.92 O +ATOM 139 N PRO A 23 8.507 -6.122 -10.193 1.00 83.70 N +ATOM 140 CA PRO A 23 9.427 -7.069 -10.800 1.00 83.85 C +ATOM 141 C PRO A 23 10.738 -6.392 -11.161 1.00 83.40 C +ATOM 142 O PRO A 23 10.812 -5.183 -11.307 1.00 79.38 O +ATOM 143 CB PRO A 23 8.685 -7.554 -12.033 1.00 78.84 C +ATOM 144 CG PRO A 23 7.770 -6.442 -12.366 1.00 75.86 C +ATOM 145 CD PRO A 23 7.365 -5.840 -11.050 1.00 78.00 C +HETATM 146 N HYP A 24 11.742 -7.127 -11.335 1.00 84.27 N +HETATM 147 CA HYP A 24 13.023 -6.533 -11.631 1.00 80.63 C +HETATM 148 C HYP A 24 12.983 -5.277 -12.374 1.00 80.15 C +HETATM 149 O HYP A 24 13.221 -5.216 -13.575 1.00 79.04 O +HETATM 150 CB HYP A 24 13.840 -7.642 -12.197 1.00 80.38 C +HETATM 151 CG HYP A 24 13.163 -8.908 -11.774 1.00 80.16 C +HETATM 152 CD HYP A 24 11.714 -8.540 -11.606 1.00 82.87 C +HETATM 153 OD1 HYP A 24 13.638 -9.326 -10.496 1.00 80.18 O +HETATM 154 OXT HYP A 24 12.660 -4.286 -11.675 1.00 75.60 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_476.txt b/protein_pdb_476.txt new file mode 100644 index 0000000000000000000000000000000000000000..631274942b2475f9c5dc7a7c6569effdda73f9e9 --- /dev/null +++ b/protein_pdb_476.txt @@ -0,0 +1,150 @@ +ATOM 1 N GLY A 1 -1.144 -15.370 -0.663 1.00 89.73 N +ATOM 2 CA GLY A 1 -0.462 -14.644 -1.684 1.00 89.93 C +ATOM 3 C GLY A 1 0.481 -13.588 -1.151 1.00 91.43 C +ATOM 4 O GLY A 1 0.453 -13.267 0.043 1.00 89.84 O +ATOM 5 N PRO A 2 1.289 -13.066 -1.991 1.00 87.93 N +ATOM 6 CA PRO A 2 2.259 -12.055 -1.604 1.00 88.65 C +ATOM 7 C PRO A 2 1.633 -10.680 -1.462 1.00 88.62 C +ATOM 8 O PRO A 2 0.495 -10.455 -1.868 1.00 86.49 O +ATOM 9 CB PRO A 2 3.263 -12.094 -2.752 1.00 85.71 C +ATOM 10 CG PRO A 2 2.420 -12.452 -3.928 1.00 81.59 C +ATOM 11 CD PRO A 2 1.388 -13.406 -3.405 1.00 82.65 C +HETATM 12 N HYP A 3 2.415 -9.764 -0.880 1.00 89.46 N +HETATM 13 CA HYP A 3 1.929 -8.391 -0.772 1.00 90.67 C +HETATM 14 C HYP A 3 1.675 -7.780 -2.130 1.00 91.05 C +HETATM 15 O HYP A 3 2.362 -8.125 -3.096 1.00 91.99 O +HETATM 16 CB HYP A 3 3.114 -7.666 -0.059 1.00 88.36 C +HETATM 17 CG HYP A 3 3.798 -8.757 0.722 1.00 85.87 C +HETATM 18 CD HYP A 3 3.668 -9.987 -0.212 1.00 86.83 C +HETATM 19 OD1 HYP A 3 3.092 -8.993 1.902 1.00 87.06 O +ATOM 20 N GLY A 4 0.679 -6.949 -2.204 1.00 90.74 N +ATOM 21 CA GLY A 4 0.374 -6.249 -3.422 1.00 90.07 C +ATOM 22 C GLY A 4 1.422 -5.203 -3.736 1.00 90.91 C +ATOM 23 O GLY A 4 2.278 -4.883 -2.904 1.00 90.53 O +ATOM 24 N PRO A 5 1.384 -4.652 -4.946 1.00 88.41 N +ATOM 25 CA PRO A 5 2.362 -3.647 -5.348 1.00 88.75 C +ATOM 26 C PRO A 5 2.133 -2.325 -4.637 1.00 88.34 C +ATOM 27 O PRO A 5 1.051 -2.064 -4.116 1.00 85.63 O +ATOM 28 CB PRO A 5 2.133 -3.519 -6.843 1.00 86.02 C +ATOM 29 CG PRO A 5 0.701 -3.867 -7.016 1.00 83.55 C +ATOM 30 CD PRO A 5 0.418 -4.929 -5.999 1.00 86.68 C +HETATM 31 N HYP A 6 3.215 -1.487 -4.612 1.00 90.57 N +HETATM 32 CA HYP A 6 3.040 -0.147 -4.080 1.00 93.25 C +HETATM 33 C HYP A 6 1.981 0.627 -4.809 1.00 91.57 C +HETATM 34 O HYP A 6 1.787 0.416 -6.019 1.00 91.73 O +HETATM 35 CB HYP A 6 4.432 0.485 -4.290 1.00 88.96 C +HETATM 36 CG HYP A 6 5.372 -0.705 -4.260 1.00 87.81 C +HETATM 37 CD HYP A 6 4.594 -1.760 -4.976 1.00 89.56 C +HETATM 38 OD1 HYP A 6 5.602 -1.084 -2.931 1.00 87.77 O +ATOM 39 N GLY A 7 1.273 1.431 -4.110 1.00 92.01 N +ATOM 40 CA GLY A 7 0.270 2.264 -4.711 1.00 91.86 C +ATOM 41 C GLY A 7 0.887 3.290 -5.638 1.00 92.43 C +ATOM 42 O GLY A 7 2.093 3.522 -5.621 1.00 92.14 O +ATOM 43 N PRO A 8 0.067 3.907 -6.464 1.00 90.21 N +ATOM 44 CA PRO A 8 0.572 4.894 -7.407 1.00 90.48 C +ATOM 45 C PRO A 8 0.972 6.184 -6.710 1.00 89.80 C +ATOM 46 O PRO A 8 0.532 6.472 -5.599 1.00 87.13 O +ATOM 47 CB PRO A 8 -0.604 5.117 -8.345 1.00 88.81 C +ATOM 48 CG PRO A 8 -1.790 4.835 -7.502 1.00 86.23 C +ATOM 49 CD PRO A 8 -1.376 3.726 -6.576 1.00 88.81 C +HETATM 50 N HYP A 9 1.822 6.965 -7.444 1.00 90.08 N +HETATM 51 CA HYP A 9 2.180 8.254 -6.899 1.00 90.09 C +HETATM 52 C HYP A 9 0.944 9.115 -6.770 1.00 90.06 C +HETATM 53 O HYP A 9 0.011 9.014 -7.537 1.00 89.67 O +HETATM 54 CB HYP A 9 3.117 8.825 -7.996 1.00 84.02 C +HETATM 55 CG HYP A 9 3.634 7.654 -8.706 1.00 83.54 C +HETATM 56 CD HYP A 9 2.511 6.675 -8.693 1.00 87.56 C +HETATM 57 OD1 HYP A 9 4.717 7.126 -7.999 1.00 84.62 O +ATOM 58 N GLY A 10 0.894 9.979 -5.823 1.00 86.35 N +ATOM 59 CA GLY A 10 -0.225 10.853 -5.580 1.00 83.98 C +ATOM 60 C GLY A 10 -0.170 12.145 -6.370 1.00 84.95 C +ATOM 61 O GLY A 10 -0.853 13.104 -6.008 1.00 82.41 O +ATOM 62 N GLY A 11 0.624 12.197 -7.419 1.00 82.74 N +ATOM 63 CA GLY A 11 0.841 13.422 -8.165 1.00 81.98 C +ATOM 64 C GLY A 11 2.018 14.164 -7.590 1.00 84.19 C +ATOM 65 O GLY A 11 3.044 14.349 -8.253 1.00 80.32 O +ATOM 66 N CYS A 12 1.883 14.575 -6.347 1.00 79.68 N +ATOM 67 CA CYS A 12 2.967 15.129 -5.564 1.00 84.75 C +ATOM 68 C CYS A 12 3.286 14.254 -4.366 1.00 86.76 C +ATOM 69 O CYS A 12 4.126 14.612 -3.542 1.00 83.59 O +ATOM 70 CB CYS A 12 2.608 16.536 -5.065 1.00 80.73 C +ATOM 71 SG CYS A 12 2.230 17.691 -6.396 1.00 75.03 S +ATOM 72 N GLY A 13 2.617 13.137 -4.263 1.00 86.78 N +ATOM 73 CA GLY A 13 2.749 12.269 -3.121 1.00 86.41 C +ATOM 74 C GLY A 13 3.536 11.020 -3.407 1.00 88.01 C +ATOM 75 O GLY A 13 3.746 10.651 -4.564 1.00 87.56 O +ATOM 76 N PRO A 14 3.985 10.351 -2.358 1.00 89.50 N +ATOM 77 CA PRO A 14 4.753 9.125 -2.518 1.00 88.98 C +ATOM 78 C PRO A 14 3.863 7.962 -2.933 1.00 89.11 C +ATOM 79 O PRO A 14 2.641 8.025 -2.834 1.00 87.22 O +ATOM 80 CB PRO A 14 5.347 8.898 -1.132 1.00 87.01 C +ATOM 81 CG PRO A 14 4.330 9.482 -0.217 1.00 85.59 C +ATOM 82 CD PRO A 14 3.779 10.686 -0.944 1.00 85.57 C +HETATM 83 N HYP A 15 4.514 6.929 -3.384 1.00 89.88 N +HETATM 84 CA HYP A 15 3.796 5.702 -3.657 1.00 91.37 C +HETATM 85 C HYP A 15 3.095 5.191 -2.454 1.00 92.38 C +HETATM 86 O HYP A 15 3.591 5.366 -1.321 1.00 91.78 O +HETATM 87 CB HYP A 15 4.916 4.754 -4.130 1.00 88.62 C +HETATM 88 CG HYP A 15 5.959 5.688 -4.705 1.00 85.81 C +HETATM 89 CD HYP A 15 5.901 6.867 -3.767 1.00 88.55 C +HETATM 90 OD1 HYP A 15 5.612 6.067 -6.001 1.00 86.93 O +ATOM 91 N GLY A 16 1.992 4.579 -2.637 1.00 90.90 N +ATOM 92 CA GLY A 16 1.294 3.954 -1.550 1.00 89.86 C +ATOM 93 C GLY A 16 2.047 2.746 -1.047 1.00 90.83 C +ATOM 94 O GLY A 16 2.987 2.264 -1.682 1.00 90.26 O +ATOM 95 N PRO A 17 1.639 2.248 0.102 1.00 89.21 N +ATOM 96 CA PRO A 17 2.296 1.081 0.669 1.00 88.69 C +ATOM 97 C PRO A 17 1.937 -0.186 -0.094 1.00 89.83 C +ATOM 98 O PRO A 17 0.968 -0.213 -0.851 1.00 88.47 O +ATOM 99 CB PRO A 17 1.763 1.043 2.099 1.00 86.55 C +ATOM 100 CG PRO A 17 0.421 1.666 1.987 1.00 84.36 C +ATOM 101 CD PRO A 17 0.551 2.737 0.949 1.00 84.90 C +HETATM 102 N HYP A 18 2.758 -1.230 0.119 1.00 87.87 N +HETATM 103 CA HYP A 18 2.403 -2.495 -0.451 1.00 87.66 C +HETATM 104 C HYP A 18 1.065 -2.953 -0.038 1.00 89.29 C +HETATM 105 O HYP A 18 0.616 -2.675 1.101 1.00 90.14 O +HETATM 106 CB HYP A 18 3.513 -3.429 0.080 1.00 86.26 C +HETATM 107 CG HYP A 18 4.684 -2.516 0.335 1.00 85.01 C +HETATM 108 CD HYP A 18 4.025 -1.252 0.846 1.00 89.14 C +HETATM 109 OD1 HYP A 18 5.352 -2.256 -0.884 1.00 86.10 O +ATOM 110 N GLY A 19 0.368 -3.594 -0.910 1.00 87.12 N +ATOM 111 CA GLY A 19 -0.913 -4.154 -0.593 1.00 87.15 C +ATOM 112 C GLY A 19 -0.786 -5.265 0.429 1.00 87.64 C +ATOM 113 O GLY A 19 0.315 -5.737 0.723 1.00 87.71 O +ATOM 114 N PRO A 20 -1.902 -5.689 0.968 1.00 84.10 N +ATOM 115 CA PRO A 20 -1.877 -6.752 1.959 1.00 84.47 C +ATOM 116 C PRO A 20 -1.565 -8.095 1.325 1.00 84.01 C +ATOM 117 O PRO A 20 -1.681 -8.263 0.111 1.00 83.27 O +ATOM 118 CB PRO A 20 -3.288 -6.725 2.538 1.00 82.25 C +ATOM 119 CG PRO A 20 -4.118 -6.211 1.412 1.00 78.68 C +ATOM 120 CD PRO A 20 -3.251 -5.212 0.690 1.00 79.23 C +HETATM 121 N HYP A 21 -1.135 -9.047 2.185 1.00 88.57 N +HETATM 122 CA HYP A 21 -0.947 -10.373 1.686 1.00 89.56 C +HETATM 123 C HYP A 21 -2.189 -10.917 1.042 1.00 88.55 C +HETATM 124 O HYP A 21 -3.289 -10.642 1.527 1.00 90.62 O +HETATM 125 CB HYP A 21 -0.588 -11.194 2.936 1.00 85.40 C +HETATM 126 CG HYP A 21 0.015 -10.195 3.879 1.00 81.44 C +HETATM 127 CD HYP A 21 -0.785 -8.950 3.610 1.00 87.98 C +HETATM 128 OD1 HYP A 21 1.371 -9.970 3.531 1.00 83.95 O +ATOM 129 N GLY A 22 -2.033 -11.564 -0.080 1.00 89.41 N +ATOM 130 CA GLY A 22 -3.140 -12.161 -0.766 1.00 87.19 C +ATOM 131 C GLY A 22 -3.714 -13.319 0.036 1.00 87.14 C +ATOM 132 O GLY A 22 -3.099 -13.784 0.995 1.00 86.02 O +ATOM 133 N PRO A 23 -4.880 -13.809 -0.351 1.00 89.83 N +ATOM 134 CA PRO A 23 -5.462 -14.966 0.326 1.00 89.65 C +ATOM 135 C PRO A 23 -4.622 -16.198 0.039 1.00 88.62 C +ATOM 136 O PRO A 23 -4.654 -16.704 -1.082 1.00 85.10 O +ATOM 137 CB PRO A 23 -6.855 -15.084 -0.290 1.00 86.44 C +ATOM 138 CG PRO A 23 -7.084 -13.804 -1.000 1.00 83.41 C +ATOM 139 CD PRO A 23 -5.736 -13.304 -1.405 1.00 86.52 C +HETATM 140 N HYP A 24 -3.772 -16.584 0.891 1.00 92.26 N +HETATM 141 CA HYP A 24 -2.595 -17.415 0.578 1.00 90.34 C +HETATM 142 C HYP A 24 -1.684 -16.900 -0.388 1.00 92.35 C +HETATM 143 O HYP A 24 -1.872 -17.344 -1.585 1.00 89.50 O +HETATM 144 CB HYP A 24 -2.234 -18.117 1.777 1.00 86.86 C +HETATM 145 CG HYP A 24 -3.604 -18.302 2.464 1.00 87.64 C +HETATM 146 CD HYP A 24 -4.457 -17.119 1.978 1.00 89.76 C +HETATM 147 OD1 HYP A 24 -3.496 -18.273 3.861 1.00 87.64 O +HETATM 148 OXT HYP A 24 -0.381 -17.213 -0.309 1.00 86.12 O +TER 149 HYP A 24 +END diff --git a/protein_pdb_477.txt b/protein_pdb_477.txt new file mode 100644 index 0000000000000000000000000000000000000000..e2948610a4f4442e5054b4a0f15dad6b3465f551 --- /dev/null +++ b/protein_pdb_477.txt @@ -0,0 +1,150 @@ +ATOM 1 N GLY A 1 -2.758 -11.163 7.886 1.00 83.13 N +ATOM 2 CA GLY A 1 -2.041 -11.020 6.666 1.00 85.53 C +ATOM 3 C GLY A 1 -1.157 -9.788 6.624 1.00 87.63 C +ATOM 4 O GLY A 1 -1.256 -8.918 7.492 1.00 85.88 O +ATOM 5 N PRO A 2 -0.316 -9.696 5.639 1.00 85.83 N +ATOM 6 CA PRO A 2 0.594 -8.572 5.502 1.00 87.05 C +ATOM 7 C PRO A 2 -0.102 -7.317 4.994 1.00 87.22 C +ATOM 8 O PRO A 2 -1.241 -7.367 4.537 1.00 84.87 O +ATOM 9 CB PRO A 2 1.627 -9.100 4.511 1.00 83.84 C +ATOM 10 CG PRO A 2 0.812 -9.985 3.638 1.00 79.41 C +ATOM 11 CD PRO A 2 -0.109 -10.690 4.599 1.00 80.53 C +HETATM 12 N HYP A 3 0.626 -6.177 5.079 1.00 81.06 N +HETATM 13 CA HYP A 3 0.055 -4.943 4.565 1.00 87.07 C +HETATM 14 C HYP A 3 -0.235 -5.018 3.078 1.00 84.95 C +HETATM 15 O HYP A 3 0.468 -5.739 2.339 1.00 88.37 O +HETATM 16 CB HYP A 3 1.206 -3.927 4.825 1.00 80.74 C +HETATM 17 CG HYP A 3 1.936 -4.501 6.009 1.00 77.08 C +HETATM 18 CD HYP A 3 1.859 -6.014 5.754 1.00 81.11 C +HETATM 19 OD1 HYP A 3 1.207 -4.198 7.169 1.00 84.50 O +ATOM 20 N GLY A 4 -1.277 -4.326 2.688 1.00 89.44 N +ATOM 21 CA GLY A 4 -1.653 -4.310 1.304 1.00 89.17 C +ATOM 22 C GLY A 4 -0.617 -3.561 0.486 1.00 90.01 C +ATOM 23 O GLY A 4 0.244 -2.870 1.029 1.00 89.41 O +ATOM 24 N PRO A 5 -0.681 -3.683 -0.828 1.00 89.11 N +ATOM 25 CA PRO A 5 0.274 -3.003 -1.692 1.00 88.35 C +ATOM 26 C PRO A 5 0.028 -1.506 -1.746 1.00 88.14 C +ATOM 27 O PRO A 5 -1.050 -1.026 -1.405 1.00 86.83 O +ATOM 28 CB PRO A 5 0.044 -3.672 -3.046 1.00 86.61 C +ATOM 29 CG PRO A 5 -1.412 -3.991 -3.013 1.00 83.65 C +ATOM 30 CD PRO A 5 -1.632 -4.473 -1.598 1.00 85.14 C +HETATM 31 N HYP A 6 1.069 -0.746 -2.162 1.00 86.17 N +HETATM 32 CA HYP A 6 0.871 0.652 -2.348 1.00 91.05 C +HETATM 33 C HYP A 6 -0.206 0.990 -3.351 1.00 86.97 C +HETATM 34 O HYP A 6 -0.443 0.211 -4.312 1.00 90.09 O +HETATM 35 CB HYP A 6 2.268 1.103 -2.863 1.00 85.21 C +HETATM 36 CG HYP A 6 3.223 0.079 -2.303 1.00 84.47 C +HETATM 37 CD HYP A 6 2.397 -1.197 -2.372 1.00 87.25 C +HETATM 38 OD1 HYP A 6 3.485 0.373 -0.956 1.00 86.36 O +ATOM 39 N GLY A 7 -0.887 2.060 -3.126 1.00 90.31 N +ATOM 40 CA GLY A 7 -1.924 2.478 -4.023 1.00 90.36 C +ATOM 41 C GLY A 7 -1.314 2.863 -5.360 1.00 90.93 C +ATOM 42 O GLY A 7 -0.102 3.011 -5.490 1.00 90.12 O +ATOM 43 N PRO A 8 -2.148 3.027 -6.359 1.00 89.41 N +ATOM 44 CA PRO A 8 -1.647 3.411 -7.673 1.00 88.88 C +ATOM 45 C PRO A 8 -1.139 4.838 -7.683 1.00 89.00 C +ATOM 46 O PRO A 8 -1.497 5.651 -6.834 1.00 85.55 O +ATOM 47 CB PRO A 8 -2.864 3.218 -8.571 1.00 85.52 C +ATOM 48 CG PRO A 8 -4.003 3.505 -7.664 1.00 84.79 C +ATOM 49 CD PRO A 8 -3.595 2.856 -6.365 1.00 87.61 C +HETATM 50 N HYP A 9 -0.270 5.171 -8.681 1.00 85.28 N +HETATM 51 CA HYP A 9 0.176 6.506 -8.786 1.00 87.69 C +HETATM 52 C HYP A 9 -0.957 7.441 -9.070 1.00 85.06 C +HETATM 53 O HYP A 9 -1.970 7.077 -9.660 1.00 88.16 O +HETATM 54 CB HYP A 9 1.076 6.448 -10.034 1.00 83.22 C +HETATM 55 CG HYP A 9 1.519 5.070 -10.130 1.00 81.28 C +HETATM 56 CD HYP A 9 0.349 4.272 -9.622 1.00 85.77 C +HETATM 57 OD1 HYP A 9 2.604 4.881 -9.253 1.00 82.60 O +ATOM 58 N GLY A 10 -0.791 8.681 -8.684 1.00 87.81 N +ATOM 59 CA GLY A 10 -1.740 9.704 -9.055 1.00 85.48 C +ATOM 60 C GLY A 10 -1.555 9.936 -10.544 1.00 86.91 C +ATOM 61 O GLY A 10 -0.847 9.187 -11.210 1.00 85.17 O +ATOM 62 N SER A 11 -2.146 10.978 -11.043 1.00 89.74 N +ATOM 63 CA SER A 11 -2.054 11.266 -12.473 1.00 91.58 C +ATOM 64 C SER A 11 -0.618 11.297 -12.996 1.00 92.72 C +ATOM 65 O SER A 11 -0.384 11.296 -14.207 1.00 89.05 O +ATOM 66 CB SER A 11 -2.740 12.600 -12.778 1.00 87.29 C +ATOM 67 OG SER A 11 -2.161 13.633 -12.028 1.00 78.22 O +ATOM 68 N GLY A 12 0.338 11.320 -12.087 1.00 86.08 N +ATOM 69 CA GLY A 12 1.756 11.320 -12.411 1.00 86.05 C +ATOM 70 C GLY A 12 2.522 11.366 -11.116 1.00 87.70 C +ATOM 71 O GLY A 12 3.746 11.501 -11.095 1.00 82.56 O +ATOM 72 N GLY A 13 1.777 11.246 -10.037 1.00 91.12 N +ATOM 73 CA GLY A 13 2.346 11.340 -8.711 1.00 89.91 C +ATOM 74 C GLY A 13 2.849 10.026 -8.154 1.00 91.27 C +ATOM 75 O GLY A 13 2.900 9.015 -8.850 1.00 89.62 O +ATOM 76 N PRO A 14 3.244 10.035 -6.892 1.00 92.40 N +ATOM 77 CA PRO A 14 3.789 8.851 -6.234 1.00 92.18 C +ATOM 78 C PRO A 14 2.730 7.804 -5.922 1.00 92.41 C +ATOM 79 O PRO A 14 1.542 8.090 -5.896 1.00 90.27 O +ATOM 80 CB PRO A 14 4.416 9.421 -4.965 1.00 90.55 C +ATOM 81 CG PRO A 14 3.520 10.566 -4.633 1.00 89.04 C +ATOM 82 CD PRO A 14 3.224 11.177 -5.981 1.00 90.11 C +HETATM 83 N HYP A 15 3.195 6.584 -5.701 1.00 90.48 N +HETATM 84 CA HYP A 15 2.295 5.558 -5.253 1.00 92.77 C +HETATM 85 C HYP A 15 1.628 5.896 -3.942 1.00 92.68 C +HETATM 86 O HYP A 15 2.198 6.615 -3.103 1.00 92.11 O +HETATM 87 CB HYP A 15 3.292 4.376 -5.062 1.00 87.76 C +HETATM 88 CG HYP A 15 4.406 4.668 -6.035 1.00 85.21 C +HETATM 89 CD HYP A 15 4.545 6.170 -5.950 1.00 89.46 C +HETATM 90 OD1 HYP A 15 4.029 4.277 -7.313 1.00 86.47 O +ATOM 91 N GLY A 16 0.435 5.386 -3.765 1.00 92.80 N +ATOM 92 CA GLY A 16 -0.276 5.601 -2.542 1.00 92.46 C +ATOM 93 C GLY A 16 0.391 4.847 -1.402 1.00 93.23 C +ATOM 94 O GLY A 16 1.319 4.067 -1.621 1.00 92.68 O +ATOM 95 N PRO A 17 -0.071 5.085 -0.192 1.00 91.11 N +ATOM 96 CA PRO A 17 0.514 4.413 0.965 1.00 90.79 C +ATOM 97 C PRO A 17 0.168 2.934 1.006 1.00 91.33 C +ATOM 98 O PRO A 17 -0.757 2.480 0.340 1.00 89.39 O +ATOM 99 CB PRO A 17 -0.079 5.175 2.144 1.00 89.07 C +ATOM 100 CG PRO A 17 -1.399 5.623 1.626 1.00 87.19 C +ATOM 101 CD PRO A 17 -1.117 6.019 0.198 1.00 88.51 C +HETATM 102 N HYP A 18 0.949 2.149 1.783 1.00 87.87 N +HETATM 103 CA HYP A 18 0.637 0.790 1.963 1.00 90.76 C +HETATM 104 C HYP A 18 -0.740 0.561 2.535 1.00 89.49 C +HETATM 105 O HYP A 18 -1.230 1.371 3.342 1.00 91.41 O +HETATM 106 CB HYP A 18 1.725 0.328 2.975 1.00 86.56 C +HETATM 107 CG HYP A 18 2.856 1.278 2.742 1.00 85.95 C +HETATM 108 CD HYP A 18 2.127 2.577 2.452 1.00 89.35 C +HETATM 109 OD1 HYP A 18 3.579 0.892 1.581 1.00 87.58 O +ATOM 110 N GLY A 19 -1.370 -0.493 2.097 1.00 88.62 N +ATOM 111 CA GLY A 19 -2.672 -0.825 2.583 1.00 88.75 C +ATOM 112 C GLY A 19 -2.591 -1.277 4.032 1.00 89.54 C +ATOM 113 O GLY A 19 -1.503 -1.489 4.566 1.00 89.45 O +ATOM 114 N PRO A 20 -3.731 -1.419 4.671 1.00 86.10 N +ATOM 115 CA PRO A 20 -3.741 -1.849 6.059 1.00 86.57 C +ATOM 116 C PRO A 20 -3.375 -3.323 6.180 1.00 86.51 C +ATOM 117 O PRO A 20 -3.414 -4.063 5.204 1.00 85.26 O +ATOM 118 CB PRO A 20 -5.174 -1.580 6.488 1.00 83.88 C +ATOM 119 CG PRO A 20 -5.943 -1.777 5.226 1.00 82.01 C +ATOM 120 CD PRO A 20 -5.068 -1.160 4.172 1.00 85.75 C +HETATM 121 N HYP A 21 -2.985 -3.725 7.401 1.00 87.27 N +HETATM 122 CA HYP A 21 -2.739 -5.119 7.616 1.00 90.96 C +HETATM 123 C HYP A 21 -3.925 -5.985 7.257 1.00 88.95 C +HETATM 124 O HYP A 21 -5.047 -5.578 7.514 1.00 91.58 O +HETATM 125 CB HYP A 21 -2.423 -5.223 9.110 1.00 86.45 C +HETATM 126 CG HYP A 21 -1.876 -3.854 9.457 1.00 80.12 C +HETATM 127 CD HYP A 21 -2.708 -2.934 8.571 1.00 85.64 C +HETATM 128 OD1 HYP A 21 -0.519 -3.765 9.052 1.00 81.98 O +ATOM 129 N GLY A 22 -3.648 -7.104 6.613 1.00 89.21 N +ATOM 130 CA GLY A 22 -4.693 -7.984 6.208 1.00 87.29 C +ATOM 131 C GLY A 22 -5.284 -8.698 7.412 1.00 87.54 C +ATOM 132 O GLY A 22 -4.738 -8.625 8.518 1.00 86.42 O +ATOM 133 N PRO A 23 -6.381 -9.409 7.224 1.00 88.53 N +ATOM 134 CA PRO A 23 -6.987 -10.144 8.323 1.00 88.35 C +ATOM 135 C PRO A 23 -6.178 -11.399 8.604 1.00 86.92 C +ATOM 136 O PRO A 23 -6.095 -12.293 7.765 1.00 83.76 O +ATOM 137 CB PRO A 23 -8.383 -10.457 7.796 1.00 85.37 C +ATOM 138 CG PRO A 23 -8.181 -10.564 6.330 1.00 81.35 C +ATOM 139 CD PRO A 23 -7.159 -9.498 6.010 1.00 84.13 C +HETATM 140 N HYP A 24 -5.469 -11.469 9.589 1.00 87.16 N +HETATM 141 CA HYP A 24 -4.340 -12.337 9.806 1.00 85.04 C +HETATM 142 C HYP A 24 -3.383 -12.629 8.884 1.00 87.45 C +HETATM 143 O HYP A 24 -3.524 -13.440 7.942 1.00 84.55 O +HETATM 144 CB HYP A 24 -4.711 -13.360 10.851 1.00 83.04 C +HETATM 145 CG HYP A 24 -5.949 -12.749 11.482 1.00 80.16 C +HETATM 146 CD HYP A 24 -6.519 -11.851 10.407 1.00 83.89 C +HETATM 147 OD1 HYP A 24 -5.646 -11.929 12.582 1.00 85.77 O +HETATM 148 OXT HYP A 24 -2.083 -12.422 9.213 1.00 81.74 O +TER 149 HYP A 24 +END diff --git a/protein_pdb_478.txt b/protein_pdb_478.txt new file mode 100644 index 0000000000000000000000000000000000000000..c2a23c0430cc5e82325f0d3841b7b0b686800b4c --- /dev/null +++ b/protein_pdb_478.txt @@ -0,0 +1,163 @@ +ATOM 1 N GLY A 1 15.354 0.896 2.106 1.00 90.13 N +ATOM 2 CA GLY A 1 14.563 1.328 0.995 1.00 91.23 C +ATOM 3 C GLY A 1 13.388 2.178 1.409 1.00 92.14 C +ATOM 4 O GLY A 1 13.076 2.290 2.588 1.00 90.64 O +ATOM 5 N PRO A 2 12.772 2.738 0.511 1.00 92.03 N +ATOM 6 CA PRO A 2 11.625 3.588 0.794 1.00 92.76 C +ATOM 7 C PRO A 2 10.396 2.769 1.143 1.00 93.11 C +ATOM 8 O PRO A 2 10.356 1.563 0.945 1.00 91.49 O +ATOM 9 CB PRO A 2 11.434 4.339 -0.523 1.00 90.27 C +ATOM 10 CG PRO A 2 11.899 3.366 -1.549 1.00 86.53 C +ATOM 11 CD PRO A 2 13.070 2.671 -0.923 1.00 88.83 C +HETATM 12 N HYP A 3 9.399 3.474 1.680 1.00 92.86 N +HETATM 13 CA HYP A 3 8.148 2.797 1.966 1.00 91.65 C +HETATM 14 C HYP A 3 7.513 2.219 0.724 1.00 93.89 C +HETATM 15 O HYP A 3 7.669 2.808 -0.377 1.00 94.99 O +HETATM 16 CB HYP A 3 7.243 3.934 2.533 1.00 91.43 C +HETATM 17 CG HYP A 3 8.235 4.939 3.115 1.00 88.47 C +HETATM 18 CD HYP A 3 9.396 4.853 2.112 1.00 91.36 C +HETATM 19 OD1 HYP A 3 8.666 4.451 4.353 1.00 90.43 O +ATOM 20 N GLY A 4 6.922 1.064 0.880 1.00 94.93 N +ATOM 21 CA GLY A 4 6.257 0.441 -0.230 1.00 94.67 C +ATOM 22 C GLY A 4 5.026 1.225 -0.640 1.00 95.01 C +ATOM 23 O GLY A 4 4.571 2.120 0.073 1.00 95.05 O +ATOM 24 N PRO A 5 4.477 0.902 -1.804 1.00 94.70 N +ATOM 25 CA PRO A 5 3.291 1.595 -2.284 1.00 94.39 C +ATOM 26 C PRO A 5 2.059 1.194 -1.492 1.00 94.30 C +ATOM 27 O PRO A 5 2.056 0.190 -0.788 1.00 93.91 O +ATOM 28 CB PRO A 5 3.190 1.142 -3.739 1.00 92.78 C +ATOM 29 CG PRO A 5 3.775 -0.228 -3.712 1.00 90.77 C +ATOM 30 CD PRO A 5 4.906 -0.145 -2.730 1.00 93.03 C +HETATM 31 N HYP A 6 1.010 2.027 -1.619 1.00 94.35 N +HETATM 32 CA HYP A 6 -0.245 1.658 -1.006 1.00 95.88 C +HETATM 33 C HYP A 6 -0.734 0.332 -1.512 1.00 95.97 C +HETATM 34 O HYP A 6 -0.505 -0.018 -2.704 1.00 95.02 O +HETATM 35 CB HYP A 6 -1.187 2.810 -1.458 1.00 93.02 C +HETATM 36 CG HYP A 6 -0.272 3.973 -1.719 1.00 91.91 C +HETATM 37 CD HYP A 6 0.954 3.291 -2.308 1.00 93.55 C +HETATM 38 OD1 HYP A 6 0.074 4.590 -0.504 1.00 91.12 O +ATOM 39 N GLY A 7 -1.323 -0.439 -0.640 1.00 94.32 N +ATOM 40 CA GLY A 7 -1.871 -1.711 -1.032 1.00 93.76 C +ATOM 41 C GLY A 7 -2.967 -1.528 -2.057 1.00 94.31 C +ATOM 42 O GLY A 7 -3.492 -0.434 -2.250 1.00 94.21 O +ATOM 43 N PRO A 8 -3.322 -2.607 -2.731 1.00 94.74 N +ATOM 44 CA PRO A 8 -4.372 -2.513 -3.731 1.00 94.55 C +ATOM 45 C PRO A 8 -5.730 -2.307 -3.085 1.00 94.82 C +ATOM 46 O PRO A 8 -5.934 -2.624 -1.919 1.00 93.92 O +ATOM 47 CB PRO A 8 -4.298 -3.866 -4.445 1.00 92.97 C +ATOM 48 CG PRO A 8 -3.775 -4.777 -3.396 1.00 91.76 C +ATOM 49 CD PRO A 8 -2.798 -3.950 -2.600 1.00 93.86 C +HETATM 50 N HYP A 9 -6.653 -1.761 -3.861 1.00 95.27 N +HETATM 51 CA HYP A 9 -7.965 -1.588 -3.375 1.00 94.48 C +HETATM 52 C HYP A 9 -8.598 -2.910 -3.038 1.00 96.07 C +HETATM 53 O HYP A 9 -8.409 -3.884 -3.777 1.00 94.90 O +HETATM 54 CB HYP A 9 -8.719 -0.960 -4.613 1.00 92.62 C +HETATM 55 CG HYP A 9 -7.646 -0.353 -5.472 1.00 92.22 C +HETATM 56 CD HYP A 9 -6.465 -1.229 -5.245 1.00 94.32 C +HETATM 57 OD1 HYP A 9 -7.336 0.937 -4.982 1.00 91.60 O +ATOM 58 N GLY A 10 -9.310 -3.056 -1.946 1.00 95.04 N +ATOM 59 CA GLY A 10 -10.131 -4.216 -1.705 1.00 93.67 C +ATOM 60 C GLY A 10 -11.271 -4.211 -2.699 1.00 93.56 C +ATOM 61 O GLY A 10 -11.417 -3.283 -3.498 1.00 92.42 O +ATOM 62 N ARG A 11 -12.094 -5.246 -2.646 1.00 92.67 N +ATOM 63 CA ARG A 11 -13.214 -5.256 -3.584 1.00 92.91 C +ATOM 64 C ARG A 11 -14.043 -3.983 -3.436 1.00 93.27 C +ATOM 65 O ARG A 11 -14.459 -3.394 -4.429 1.00 91.04 O +ATOM 66 CB ARG A 11 -14.073 -6.506 -3.372 1.00 90.44 C +ATOM 67 CG ARG A 11 -15.234 -6.578 -4.340 1.00 85.53 C +ATOM 68 CD ARG A 11 -15.926 -7.928 -4.313 1.00 80.76 C +ATOM 69 NE ARG A 11 -15.298 -8.894 -5.195 1.00 76.86 N +ATOM 70 CZ ARG A 11 -15.522 -8.981 -6.513 1.00 72.37 C +ATOM 71 NH1 ARG A 11 -16.360 -8.134 -7.113 1.00 70.11 N +ATOM 72 NH2 ARG A 11 -14.912 -9.899 -7.229 1.00 68.96 N +ATOM 73 N TYR A 12 -14.227 -3.559 -2.195 1.00 93.49 N +ATOM 74 CA TYR A 12 -14.918 -2.298 -1.924 1.00 94.02 C +ATOM 75 C TYR A 12 -14.252 -1.502 -0.814 1.00 94.18 C +ATOM 76 O TYR A 12 -14.694 -0.402 -0.491 1.00 91.61 O +ATOM 77 CB TYR A 12 -16.384 -2.563 -1.568 1.00 93.49 C +ATOM 78 CG TYR A 12 -17.130 -3.264 -2.679 1.00 90.44 C +ATOM 79 CD1 TYR A 12 -17.471 -2.583 -3.839 1.00 87.36 C +ATOM 80 CD2 TYR A 12 -17.467 -4.606 -2.586 1.00 85.68 C +ATOM 81 CE1 TYR A 12 -18.122 -3.225 -4.884 1.00 85.27 C +ATOM 82 CE2 TYR A 12 -18.113 -5.258 -3.629 1.00 85.10 C +ATOM 83 CZ TYR A 12 -18.445 -4.558 -4.764 1.00 86.52 C +ATOM 84 OH TYR A 12 -19.082 -5.201 -5.807 1.00 85.50 O +ATOM 85 N GLY A 13 -13.199 -2.036 -0.240 1.00 95.95 N +ATOM 86 CA GLY A 13 -12.501 -1.377 0.837 1.00 95.56 C +ATOM 87 C GLY A 13 -11.460 -0.396 0.342 1.00 95.74 C +ATOM 88 O GLY A 13 -11.157 -0.338 -0.845 1.00 95.35 O +ATOM 89 N PRO A 14 -10.903 0.394 1.255 1.00 95.71 N +ATOM 90 CA PRO A 14 -9.893 1.379 0.888 1.00 95.57 C +ATOM 91 C PRO A 14 -8.570 0.708 0.554 1.00 95.71 C +ATOM 92 O PRO A 14 -8.339 -0.448 0.888 1.00 95.01 O +ATOM 93 CB PRO A 14 -9.773 2.248 2.136 1.00 94.55 C +ATOM 94 CG PRO A 14 -10.098 1.309 3.243 1.00 93.08 C +ATOM 95 CD PRO A 14 -11.172 0.407 2.691 1.00 94.11 C +HETATM 96 N HYP A 15 -7.703 1.492 -0.086 1.00 95.48 N +HETATM 97 CA HYP A 15 -6.374 0.997 -0.341 1.00 95.65 C +HETATM 98 C HYP A 15 -5.656 0.665 0.927 1.00 96.46 C +HETATM 99 O HYP A 15 -5.932 1.300 1.982 1.00 95.10 O +HETATM 100 CB HYP A 15 -5.738 2.200 -1.073 1.00 93.04 C +HETATM 101 CG HYP A 15 -6.910 2.942 -1.702 1.00 91.70 C +HETATM 102 CD HYP A 15 -7.986 2.807 -0.642 1.00 93.74 C +HETATM 103 OD1 HYP A 15 -7.303 2.306 -2.885 1.00 91.69 O +ATOM 104 N GLY A 16 -4.777 -0.302 0.881 1.00 95.73 N +ATOM 105 CA GLY A 16 -3.985 -0.638 2.023 1.00 95.39 C +ATOM 106 C GLY A 16 -3.007 0.466 2.352 1.00 95.52 C +ATOM 107 O GLY A 16 -2.779 1.374 1.544 1.00 95.14 O +ATOM 108 N PRO A 17 -2.417 0.409 3.537 1.00 93.81 N +ATOM 109 CA PRO A 17 -1.445 1.422 3.930 1.00 93.25 C +ATOM 110 C PRO A 17 -0.140 1.252 3.166 1.00 93.51 C +ATOM 111 O PRO A 17 0.104 0.218 2.555 1.00 92.75 O +ATOM 112 CB PRO A 17 -1.253 1.164 5.418 1.00 91.85 C +ATOM 113 CG PRO A 17 -1.505 -0.300 5.545 1.00 90.01 C +ATOM 114 CD PRO A 17 -2.604 -0.598 4.571 1.00 91.58 C +HETATM 115 N HYP A 18 0.683 2.319 3.196 1.00 92.66 N +HETATM 116 CA HYP A 18 1.987 2.184 2.645 1.00 93.68 C +HETATM 117 C HYP A 18 2.753 1.043 3.231 1.00 93.87 C +HETATM 118 O HYP A 18 2.589 0.748 4.440 1.00 93.64 O +HETATM 119 CB HYP A 18 2.640 3.529 2.930 1.00 90.50 C +HETATM 120 CG HYP A 18 1.489 4.489 3.071 1.00 90.35 C +HETATM 121 CD HYP A 18 0.436 3.628 3.718 1.00 92.96 C +HETATM 122 OD1 HYP A 18 1.044 4.917 1.795 1.00 89.94 O +ATOM 123 N GLY A 19 3.506 0.346 2.426 1.00 93.13 N +ATOM 124 CA GLY A 19 4.302 -0.750 2.891 1.00 93.08 C +ATOM 125 C GLY A 19 5.391 -0.267 3.831 1.00 93.41 C +ATOM 126 O GLY A 19 5.678 0.928 3.913 1.00 93.99 O +ATOM 127 N PRO A 20 6.024 -1.190 4.544 1.00 90.23 N +ATOM 128 CA PRO A 20 7.100 -0.815 5.448 1.00 89.68 C +ATOM 129 C PRO A 20 8.341 -0.406 4.672 1.00 89.64 C +ATOM 130 O PRO A 20 8.473 -0.695 3.488 1.00 90.08 O +ATOM 131 CB PRO A 20 7.334 -2.092 6.250 1.00 87.64 C +ATOM 132 CG PRO A 20 6.956 -3.170 5.302 1.00 84.47 C +ATOM 133 CD PRO A 20 5.783 -2.628 4.536 1.00 87.04 C +HETATM 134 N HYP A 21 9.220 0.285 5.357 1.00 91.97 N +HETATM 135 CA HYP A 21 10.498 0.600 4.754 1.00 90.69 C +HETATM 136 C HYP A 21 11.227 -0.607 4.225 1.00 90.79 C +HETATM 137 O HYP A 21 11.144 -1.661 4.866 1.00 93.61 O +HETATM 138 CB HYP A 21 11.257 1.316 5.845 1.00 89.77 C +HETATM 139 CG HYP A 21 10.208 1.896 6.768 1.00 87.38 C +HETATM 140 CD HYP A 21 9.117 0.854 6.700 1.00 91.52 C +HETATM 141 OD1 HYP A 21 9.707 3.115 6.219 1.00 88.41 O +ATOM 142 N GLY A 22 11.836 -0.529 3.092 1.00 90.03 N +ATOM 143 CA GLY A 22 12.596 -1.606 2.539 1.00 87.89 C +ATOM 144 C GLY A 22 13.851 -1.858 3.360 1.00 87.50 C +ATOM 145 O GLY A 22 14.168 -1.097 4.273 1.00 88.00 O +ATOM 146 N PRO A 23 14.601 -2.908 3.049 1.00 93.42 N +ATOM 147 CA PRO A 23 15.822 -3.209 3.779 1.00 92.68 C +ATOM 148 C PRO A 23 16.911 -2.209 3.414 1.00 91.42 C +ATOM 149 O PRO A 23 17.490 -2.293 2.334 1.00 88.40 O +ATOM 150 CB PRO A 23 16.162 -4.623 3.324 1.00 89.75 C +ATOM 151 CG PRO A 23 15.583 -4.709 1.963 1.00 86.44 C +ATOM 152 CD PRO A 23 14.333 -3.871 1.989 1.00 90.49 C +HETATM 153 N HYP A 24 17.154 -1.254 4.197 1.00 93.78 N +HETATM 154 CA HYP A 24 17.941 -0.035 3.756 1.00 88.40 C +HETATM 155 C HYP A 24 17.109 0.957 3.092 1.00 93.36 C +HETATM 156 O HYP A 24 17.649 1.678 2.159 1.00 90.66 O +HETATM 157 CB HYP A 24 18.375 0.539 5.136 1.00 89.33 C +HETATM 158 CG HYP A 24 18.219 -0.555 6.190 1.00 88.75 C +HETATM 159 CD HYP A 24 17.353 -1.609 5.556 1.00 91.89 C +HETATM 160 OD1 HYP A 24 19.466 -1.144 6.435 1.00 88.94 O +HETATM 161 OXT HYP A 24 15.989 1.376 3.586 1.00 88.70 O +TER 162 HYP A 24 +END diff --git a/protein_pdb_479.txt b/protein_pdb_479.txt new file mode 100644 index 0000000000000000000000000000000000000000..c15e8571b7adf679c977294b2ac8b4d2b783ef02 --- /dev/null +++ b/protein_pdb_479.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -4.511 6.732 0.043 1.00 74.11 N +ATOM 2 CA GLY A 1 -3.411 6.222 -0.738 1.00 78.04 C +ATOM 3 C GLY A 1 -3.763 4.898 -1.384 1.00 79.33 C +ATOM 4 O GLY A 1 -4.873 4.391 -1.212 1.00 75.24 O +ATOM 5 N PRO A 2 -2.814 4.256 -2.124 1.00 78.01 N +ATOM 6 CA PRO A 2 -3.068 2.985 -2.793 1.00 80.49 C +ATOM 7 C PRO A 2 -3.130 1.844 -1.784 1.00 80.83 C +ATOM 8 O PRO A 2 -2.680 1.975 -0.650 1.00 77.89 O +ATOM 9 CB PRO A 2 -1.866 2.832 -3.726 1.00 75.93 C +ATOM 10 CG PRO A 2 -0.782 3.555 -3.016 1.00 72.99 C +ATOM 11 CD PRO A 2 -1.453 4.730 -2.352 1.00 72.89 C +HETATM 12 N HYP A 3 -3.683 0.713 -2.167 1.00 80.57 N +HETATM 13 CA HYP A 3 -3.709 -0.436 -1.357 1.00 81.85 C +HETATM 14 C HYP A 3 -2.294 -0.884 -0.949 1.00 81.55 C +HETATM 15 O HYP A 3 -1.324 -0.669 -1.708 1.00 82.24 O +HETATM 16 CB HYP A 3 -4.375 -1.444 -2.304 1.00 79.89 C +HETATM 17 CG HYP A 3 -5.297 -0.592 -3.123 1.00 76.21 C +HETATM 18 CD HYP A 3 -4.420 0.605 -3.390 1.00 80.96 C +HETATM 19 OD1 HYP A 3 -6.432 -0.188 -2.398 1.00 80.57 O +ATOM 20 N GLY A 4 -2.200 -1.338 0.241 1.00 88.30 N +ATOM 21 CA GLY A 4 -0.930 -1.775 0.744 1.00 87.45 C +ATOM 22 C GLY A 4 -0.440 -3.004 0.001 1.00 86.24 C +ATOM 23 O GLY A 4 -1.143 -3.554 -0.855 1.00 84.45 O +ATOM 24 N PRO A 5 0.762 -3.437 0.326 1.00 86.50 N +ATOM 25 CA PRO A 5 1.299 -4.619 -0.338 1.00 85.18 C +ATOM 26 C PRO A 5 0.526 -5.860 0.079 1.00 85.01 C +ATOM 27 O PRO A 5 -0.121 -5.887 1.121 1.00 82.76 O +ATOM 28 CB PRO A 5 2.742 -4.670 0.143 1.00 81.64 C +ATOM 29 CG PRO A 5 2.692 -4.009 1.474 1.00 81.30 C +ATOM 30 CD PRO A 5 1.668 -2.913 1.331 1.00 83.36 C +HETATM 31 N HYP A 6 0.662 -6.896 -0.735 1.00 85.09 N +HETATM 32 CA HYP A 6 0.034 -8.127 -0.377 1.00 84.35 C +HETATM 33 C HYP A 6 0.608 -8.693 0.923 1.00 84.86 C +HETATM 34 O HYP A 6 1.813 -8.525 1.221 1.00 84.56 O +HETATM 35 CB HYP A 6 0.445 -9.020 -1.566 1.00 82.53 C +HETATM 36 CG HYP A 6 0.598 -8.059 -2.710 1.00 79.61 C +HETATM 37 CD HYP A 6 1.217 -6.868 -2.058 1.00 83.90 C +HETATM 38 OD1 HYP A 6 -0.643 -7.697 -3.253 1.00 79.93 O +ATOM 39 N GLY A 7 -0.283 -9.205 1.731 1.00 82.31 N +ATOM 40 CA GLY A 7 0.142 -9.792 2.971 1.00 80.16 C +ATOM 41 C GLY A 7 0.811 -11.128 2.719 1.00 80.32 C +ATOM 42 O GLY A 7 0.915 -11.590 1.581 1.00 79.37 O +ATOM 43 N PRO A 8 1.247 -11.769 3.781 1.00 81.82 N +ATOM 44 CA PRO A 8 1.821 -13.098 3.630 1.00 81.46 C +ATOM 45 C PRO A 8 0.728 -14.072 3.193 1.00 81.31 C +ATOM 46 O PRO A 8 -0.462 -13.796 3.325 1.00 79.62 O +ATOM 47 CB PRO A 8 2.361 -13.425 5.019 1.00 78.90 C +ATOM 48 CG PRO A 8 1.573 -12.559 5.933 1.00 79.36 C +ATOM 49 CD PRO A 8 1.231 -11.316 5.163 1.00 80.55 C +HETATM 50 N HYP A 9 1.168 -15.238 2.661 1.00 75.37 N +HETATM 51 CA HYP A 9 0.216 -16.211 2.279 1.00 78.59 C +HETATM 52 C HYP A 9 -0.809 -16.466 3.286 1.00 74.95 C +HETATM 53 O HYP A 9 -0.453 -16.607 4.476 1.00 75.88 O +HETATM 54 CB HYP A 9 1.096 -17.409 1.878 1.00 75.91 C +HETATM 55 CG HYP A 9 2.393 -16.754 1.408 1.00 75.12 C +HETATM 56 CD HYP A 9 2.527 -15.576 2.326 1.00 77.09 C +HETATM 57 OD1 HYP A 9 2.298 -16.273 0.095 1.00 73.76 O +ATOM 58 N GLY A 10 -2.139 -16.362 2.987 1.00 78.23 N +ATOM 59 CA GLY A 10 -3.234 -16.596 3.890 1.00 75.07 C +ATOM 60 C GLY A 10 -3.778 -15.351 4.568 1.00 73.83 C +ATOM 61 O GLY A 10 -4.802 -15.429 5.244 1.00 71.69 O +ATOM 62 N PHE A 11 -3.125 -14.198 4.418 1.00 78.34 N +ATOM 63 CA PHE A 11 -3.564 -12.959 5.050 1.00 80.26 C +ATOM 64 C PHE A 11 -3.561 -11.825 4.039 1.00 79.85 C +ATOM 65 O PHE A 11 -2.575 -11.626 3.328 1.00 78.18 O +ATOM 66 CB PHE A 11 -2.647 -12.562 6.208 1.00 76.89 C +ATOM 67 CG PHE A 11 -2.448 -13.633 7.238 1.00 72.37 C +ATOM 68 CD1 PHE A 11 -1.373 -14.500 7.140 1.00 68.55 C +ATOM 69 CD2 PHE A 11 -3.330 -13.778 8.290 1.00 69.13 C +ATOM 70 CE1 PHE A 11 -1.181 -15.502 8.079 1.00 67.51 C +ATOM 71 CE2 PHE A 11 -3.143 -14.771 9.231 1.00 69.59 C +ATOM 72 CZ PHE A 11 -2.070 -15.634 9.136 1.00 66.57 C +ATOM 73 N ALA A 12 -4.644 -11.063 3.985 1.00 72.50 N +ATOM 74 CA ALA A 12 -4.691 -9.898 3.124 1.00 71.96 C +ATOM 75 C ALA A 12 -3.786 -8.818 3.692 1.00 72.33 C +ATOM 76 O ALA A 12 -3.668 -8.664 4.906 1.00 66.60 O +ATOM 77 CB ALA A 12 -6.116 -9.373 3.028 1.00 67.60 C +ATOM 78 N GLY A 13 -3.155 -8.061 2.801 1.00 81.06 N +ATOM 79 CA GLY A 13 -2.323 -6.961 3.252 1.00 79.29 C +ATOM 80 C GLY A 13 -3.177 -5.822 3.768 1.00 79.34 C +ATOM 81 O GLY A 13 -4.371 -5.740 3.470 1.00 78.50 O +ATOM 82 N PRO A 14 -2.585 -4.920 4.547 1.00 75.93 N +ATOM 83 CA PRO A 14 -3.335 -3.777 5.054 1.00 77.27 C +ATOM 84 C PRO A 14 -3.498 -2.729 3.961 1.00 77.81 C +ATOM 85 O PRO A 14 -2.773 -2.729 2.970 1.00 74.53 O +ATOM 86 CB PRO A 14 -2.455 -3.249 6.183 1.00 73.63 C +ATOM 87 CG PRO A 14 -1.077 -3.588 5.731 1.00 73.18 C +ATOM 88 CD PRO A 14 -1.208 -4.926 5.038 1.00 72.82 C +HETATM 89 N HYP A 15 -4.419 -1.833 4.138 1.00 75.57 N +HETATM 90 CA HYP A 15 -4.576 -0.693 3.272 1.00 79.26 C +HETATM 91 C HYP A 15 -3.318 0.152 3.254 1.00 79.98 C +HETATM 92 O HYP A 15 -2.573 0.157 4.266 1.00 80.27 O +HETATM 93 CB HYP A 15 -5.764 0.001 3.930 1.00 76.07 C +HETATM 94 CG HYP A 15 -6.524 -1.141 4.540 1.00 75.99 C +HETATM 95 CD HYP A 15 -5.447 -2.011 5.088 1.00 81.04 C +HETATM 96 OD1 HYP A 15 -7.271 -1.845 3.577 1.00 77.23 O +ATOM 97 N GLY A 16 -3.063 0.794 2.185 1.00 82.73 N +ATOM 98 CA GLY A 16 -1.916 1.655 2.104 1.00 80.35 C +ATOM 99 C GLY A 16 -2.094 2.888 2.967 1.00 80.14 C +ATOM 100 O GLY A 16 -3.161 3.098 3.561 1.00 79.43 O +ATOM 101 N PRO A 17 -1.065 3.738 3.035 1.00 73.01 N +ATOM 102 CA PRO A 17 -1.172 4.952 3.830 1.00 73.85 C +ATOM 103 C PRO A 17 -2.144 5.932 3.197 1.00 72.93 C +ATOM 104 O PRO A 17 -2.468 5.833 2.021 1.00 71.34 O +ATOM 105 CB PRO A 17 0.259 5.498 3.826 1.00 71.36 C +ATOM 106 CG PRO A 17 0.837 4.969 2.567 1.00 70.50 C +ATOM 107 CD PRO A 17 0.236 3.600 2.384 1.00 70.74 C +HETATM 108 N HYP A 18 -2.591 6.892 3.942 1.00 73.09 N +HETATM 109 CA HYP A 18 -3.448 7.916 3.457 1.00 78.96 C +HETATM 110 C HYP A 18 -2.817 8.691 2.310 1.00 72.47 C +HETATM 111 O HYP A 18 -1.572 8.822 2.241 1.00 76.64 O +HETATM 112 CB HYP A 18 -3.610 8.756 4.704 1.00 72.28 C +HETATM 113 CG HYP A 18 -3.486 7.780 5.840 1.00 71.01 C +HETATM 114 CD HYP A 18 -2.396 6.884 5.368 1.00 78.72 C +HETATM 115 OD1 HYP A 18 -4.668 7.039 6.027 1.00 76.07 O +ATOM 116 N GLY A 19 -3.628 9.158 1.410 1.00 74.84 N +ATOM 117 CA GLY A 19 -3.152 9.943 0.302 1.00 72.57 C +ATOM 118 C GLY A 19 -2.585 11.265 0.768 1.00 72.24 C +ATOM 119 O GLY A 19 -2.630 11.599 1.956 1.00 73.43 O +ATOM 120 N PRO A 20 -2.050 12.043 -0.168 1.00 69.40 N +ATOM 121 CA PRO A 20 -1.471 13.331 0.197 1.00 71.07 C +ATOM 122 C PRO A 20 -2.547 14.310 0.637 1.00 70.44 C +ATOM 123 O PRO A 20 -3.722 14.141 0.332 1.00 72.09 O +ATOM 124 CB PRO A 20 -0.790 13.783 -1.091 1.00 68.45 C +ATOM 125 CG PRO A 20 -1.557 13.104 -2.165 1.00 65.38 C +ATOM 126 CD PRO A 20 -1.957 11.770 -1.593 1.00 65.35 C +HETATM 127 N HYP A 21 -2.165 15.372 1.339 1.00 71.96 N +HETATM 128 CA HYP A 21 -3.051 16.380 1.744 1.00 77.09 C +HETATM 129 C HYP A 21 -3.722 17.100 0.597 1.00 75.55 C +HETATM 130 O HYP A 21 -3.083 17.261 -0.484 1.00 81.08 O +HETATM 131 CB HYP A 21 -2.097 17.370 2.464 1.00 75.48 C +HETATM 132 CG HYP A 21 -0.955 16.509 2.952 1.00 73.41 C +HETATM 133 CD HYP A 21 -0.793 15.504 1.837 1.00 75.92 C +HETATM 134 OD1 HYP A 21 -1.314 15.816 4.142 1.00 79.19 O +ATOM 135 N GLY A 22 -4.969 17.436 0.731 1.00 73.94 N +ATOM 136 CA GLY A 22 -5.686 18.156 -0.283 1.00 71.55 C +ATOM 137 C GLY A 22 -5.162 19.577 -0.404 1.00 69.84 C +ATOM 138 O GLY A 22 -4.306 20.005 0.372 1.00 71.04 O +ATOM 139 N PRO A 23 -5.682 20.344 -1.360 1.00 78.60 N +ATOM 140 CA PRO A 23 -5.229 21.719 -1.528 1.00 80.75 C +ATOM 141 C PRO A 23 -5.715 22.587 -0.387 1.00 79.00 C +ATOM 142 O PRO A 23 -6.718 22.292 0.255 1.00 76.91 O +ATOM 143 CB PRO A 23 -5.844 22.138 -2.860 1.00 75.55 C +ATOM 144 CG PRO A 23 -7.053 21.284 -2.971 1.00 70.44 C +ATOM 145 CD PRO A 23 -6.686 19.973 -2.340 1.00 73.59 C +HETATM 146 N HYP A 24 -5.011 23.716 -0.142 1.00 81.77 N +HETATM 147 CA HYP A 24 -5.510 24.582 0.915 1.00 80.93 C +HETATM 148 C HYP A 24 -6.765 25.278 0.334 1.00 77.05 C +HETATM 149 O HYP A 24 -7.361 26.104 0.946 1.00 83.50 O +HETATM 150 CB HYP A 24 -4.394 25.726 0.919 1.00 78.38 C +HETATM 151 CG HYP A 24 -3.168 25.146 0.300 1.00 78.35 C +HETATM 152 CD HYP A 24 -3.703 24.113 -0.711 1.00 82.99 C +HETATM 153 OD1 HYP A 24 -2.416 24.479 1.290 1.00 80.51 O +HETATM 154 OXT HYP A 24 -7.116 24.977 -0.785 1.00 77.30 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_48.txt b/protein_pdb_48.txt new file mode 100644 index 0000000000000000000000000000000000000000..aba05ae6360290d516994757dd9ff48d09c75bac --- /dev/null +++ b/protein_pdb_48.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -29.597 17.716 -2.423 1.00 79.34 N +ATOM 2 CA GLY A 1 -28.408 18.187 -1.713 1.00 82.42 C +ATOM 3 C GLY A 1 -27.179 18.135 -2.591 1.00 82.83 C +ATOM 4 O GLY A 1 -27.219 17.592 -3.696 1.00 80.70 O +ATOM 5 N PRO A 2 -26.073 18.694 -2.128 1.00 82.41 N +ATOM 6 CA PRO A 2 -24.832 18.695 -2.904 1.00 86.56 C +ATOM 7 C PRO A 2 -24.233 17.304 -3.008 1.00 86.22 C +ATOM 8 O PRO A 2 -24.569 16.405 -2.241 1.00 85.35 O +ATOM 9 CB PRO A 2 -23.926 19.643 -2.121 1.00 84.03 C +ATOM 10 CG PRO A 2 -24.402 19.524 -0.726 1.00 78.38 C +ATOM 11 CD PRO A 2 -25.900 19.337 -0.821 1.00 79.20 C +HETATM 12 N HYP A 3 -23.429 17.157 -3.940 1.00 85.35 N +HETATM 13 CA HYP A 3 -22.641 15.871 -4.108 1.00 85.06 C +HETATM 14 C HYP A 3 -21.842 15.557 -2.875 1.00 82.59 C +HETATM 15 O HYP A 3 -21.373 16.461 -2.173 1.00 84.23 O +HETATM 16 CB HYP A 3 -21.771 16.186 -5.311 1.00 81.24 C +HETATM 17 CG HYP A 3 -22.540 17.247 -6.120 1.00 79.19 C +HETATM 18 CD HYP A 3 -23.149 18.112 -4.993 1.00 82.52 C +HETATM 19 OD1 HYP A 3 -23.576 16.680 -6.859 1.00 83.92 O +ATOM 20 N GLY A 4 -21.706 14.244 -2.581 1.00 88.32 N +ATOM 21 CA GLY A 4 -20.953 13.804 -1.433 1.00 87.59 C +ATOM 22 C GLY A 4 -19.467 14.088 -1.597 1.00 87.21 C +ATOM 23 O GLY A 4 -18.998 14.426 -2.685 1.00 86.88 O +ATOM 24 N PRO A 5 -18.717 13.947 -0.511 1.00 84.20 N +ATOM 25 CA PRO A 5 -17.279 14.191 -0.570 1.00 85.69 C +ATOM 26 C PRO A 5 -16.562 13.094 -1.347 1.00 85.00 C +ATOM 27 O PRO A 5 -17.101 12.012 -1.558 1.00 83.74 O +ATOM 28 CB PRO A 5 -16.860 14.205 0.900 1.00 83.40 C +ATOM 29 CG PRO A 5 -17.853 13.305 1.551 1.00 80.85 C +ATOM 30 CD PRO A 5 -19.155 13.533 0.814 1.00 82.04 C +HETATM 31 N HYP A 6 -15.374 13.406 -1.790 1.00 86.05 N +HETATM 32 CA HYP A 6 -14.506 12.335 -2.375 1.00 90.08 C +HETATM 33 C HYP A 6 -14.300 11.190 -1.482 1.00 85.08 C +HETATM 34 O HYP A 6 -14.265 11.349 -0.251 1.00 84.41 O +HETATM 35 CB HYP A 6 -13.219 13.124 -2.681 1.00 83.55 C +HETATM 36 CG HYP A 6 -13.673 14.569 -2.903 1.00 82.69 C +HETATM 37 CD HYP A 6 -14.761 14.701 -1.843 1.00 84.69 C +HETATM 38 OD1 HYP A 6 -14.220 14.757 -4.181 1.00 82.64 O +ATOM 39 N GLY A 7 -14.197 9.961 -2.036 1.00 89.74 N +ATOM 40 CA GLY A 7 -14.005 8.751 -1.280 1.00 88.27 C +ATOM 41 C GLY A 7 -12.665 8.726 -0.575 1.00 88.21 C +ATOM 42 O GLY A 7 -11.799 9.572 -0.815 1.00 87.33 O +ATOM 43 N PRO A 8 -12.471 7.739 0.298 1.00 83.61 N +ATOM 44 CA PRO A 8 -11.214 7.619 1.026 1.00 83.99 C +ATOM 45 C PRO A 8 -10.086 7.158 0.110 1.00 83.51 C +ATOM 46 O PRO A 8 -10.320 6.676 -0.994 1.00 82.27 O +ATOM 47 CB PRO A 8 -11.521 6.587 2.104 1.00 82.09 C +ATOM 48 CG PRO A 8 -12.566 5.730 1.480 1.00 82.01 C +ATOM 49 CD PRO A 8 -13.406 6.677 0.653 1.00 83.00 C +HETATM 50 N HYP A 9 -8.878 7.304 0.543 1.00 82.18 N +HETATM 51 CA HYP A 9 -7.727 6.767 -0.159 1.00 86.17 C +HETATM 52 C HYP A 9 -7.823 5.320 -0.376 1.00 83.59 C +HETATM 53 O HYP A 9 -8.339 4.578 0.453 1.00 82.89 O +HETATM 54 CB HYP A 9 -6.574 7.130 0.782 1.00 81.78 C +HETATM 55 CG HYP A 9 -7.051 8.305 1.543 1.00 80.99 C +HETATM 56 CD HYP A 9 -8.503 8.004 1.723 1.00 83.57 C +HETATM 57 OD1 HYP A 9 -6.898 9.503 0.799 1.00 82.08 O +ATOM 58 N GLY A 10 -7.279 4.833 -1.500 1.00 86.62 N +ATOM 59 CA GLY A 10 -7.287 3.430 -1.826 1.00 84.06 C +ATOM 60 C GLY A 10 -6.467 2.617 -0.833 1.00 84.10 C +ATOM 61 O GLY A 10 -5.819 3.163 0.060 1.00 83.28 O +ATOM 62 N PRO A 11 -6.470 1.283 -1.008 1.00 82.08 N +ATOM 63 CA PRO A 11 -5.700 0.443 -0.092 1.00 83.33 C +ATOM 64 C PRO A 11 -4.208 0.688 -0.211 1.00 82.47 C +ATOM 65 O PRO A 11 -3.706 1.156 -1.232 1.00 80.36 O +ATOM 66 CB PRO A 11 -6.062 -0.994 -0.503 1.00 81.38 C +ATOM 67 CG PRO A 11 -6.836 -0.890 -1.734 1.00 81.94 C +ATOM 68 CD PRO A 11 -7.202 0.527 -2.009 1.00 81.32 C +ATOM 69 N ALA A 12 -3.494 0.372 0.864 1.00 82.35 N +ATOM 70 CA ALA A 12 -2.053 0.504 0.856 1.00 82.12 C +ATOM 71 C ALA A 12 -1.453 -0.406 -0.203 1.00 83.29 C +ATOM 72 O ALA A 12 -2.017 -1.454 -0.535 1.00 78.77 O +ATOM 73 CB ALA A 12 -1.477 0.162 2.228 1.00 78.13 C +ATOM 74 N GLY A 13 -0.327 0.016 -0.728 1.00 83.46 N +ATOM 75 CA GLY A 13 0.343 -0.779 -1.738 1.00 81.46 C +ATOM 76 C GLY A 13 0.865 -2.089 -1.183 1.00 82.03 C +ATOM 77 O GLY A 13 0.836 -2.326 0.030 1.00 81.79 O +ATOM 78 N PRO A 14 1.355 -2.969 -2.059 1.00 81.13 N +ATOM 79 CA PRO A 14 1.862 -4.264 -1.624 1.00 82.87 C +ATOM 80 C PRO A 14 3.165 -4.119 -0.847 1.00 82.50 C +ATOM 81 O PRO A 14 3.829 -3.093 -0.901 1.00 81.91 O +ATOM 82 CB PRO A 14 2.082 -5.024 -2.939 1.00 81.76 C +ATOM 83 CG PRO A 14 2.345 -3.954 -3.929 1.00 79.41 C +ATOM 84 CD PRO A 14 1.469 -2.800 -3.512 1.00 77.95 C +HETATM 85 N HYP A 15 3.554 -5.182 -0.116 1.00 79.19 N +HETATM 86 CA HYP A 15 4.781 -5.206 0.572 1.00 77.95 C +HETATM 87 C HYP A 15 5.989 -5.021 -0.364 1.00 81.39 C +HETATM 88 O HYP A 15 5.894 -5.417 -1.543 1.00 73.41 O +HETATM 89 CB HYP A 15 4.783 -6.611 1.185 1.00 80.32 C +HETATM 90 CG HYP A 15 3.321 -6.926 1.353 1.00 77.47 C +HETATM 91 CD HYP A 15 2.756 -6.334 0.106 1.00 81.26 C +HETATM 92 OD1 HYP A 15 2.804 -6.290 2.481 1.00 81.46 O +ATOM 93 N GLY A 16 7.002 -4.400 0.102 1.00 85.53 N +ATOM 94 CA GLY A 16 8.179 -4.220 -0.694 1.00 84.18 C +ATOM 95 C GLY A 16 8.856 -5.557 -0.974 1.00 85.50 C +ATOM 96 O GLY A 16 8.513 -6.578 -0.375 1.00 85.37 O +ATOM 97 N PRO A 17 9.817 -5.551 -1.889 1.00 78.64 N +ATOM 98 CA PRO A 17 10.521 -6.784 -2.218 1.00 81.27 C +ATOM 99 C PRO A 17 11.426 -7.226 -1.078 1.00 81.02 C +ATOM 100 O PRO A 17 11.764 -6.445 -0.197 1.00 81.78 O +ATOM 101 CB PRO A 17 11.325 -6.418 -3.460 1.00 80.69 C +ATOM 102 CG PRO A 17 11.557 -4.953 -3.318 1.00 78.09 C +ATOM 103 CD PRO A 17 10.310 -4.412 -2.666 1.00 77.11 C +HETATM 104 N HYP A 18 11.813 -8.465 -1.074 1.00 81.55 N +HETATM 105 CA HYP A 18 12.789 -8.973 -0.148 1.00 85.89 C +HETATM 106 C HYP A 18 14.081 -8.195 -0.197 1.00 80.98 C +HETATM 107 O HYP A 18 14.489 -7.711 -1.259 1.00 84.84 O +HETATM 108 CB HYP A 18 12.940 -10.425 -0.590 1.00 81.68 C +HETATM 109 CG HYP A 18 11.618 -10.785 -1.259 1.00 80.84 C +HETATM 110 CD HYP A 18 11.261 -9.497 -1.926 1.00 82.82 C +HETATM 111 OD1 HYP A 18 10.628 -11.100 -0.314 1.00 84.54 O +ATOM 112 N GLY A 19 14.713 -8.015 0.956 1.00 85.82 N +ATOM 113 CA GLY A 19 15.966 -7.314 1.039 1.00 84.95 C +ATOM 114 C GLY A 19 17.054 -8.066 0.286 1.00 85.12 C +ATOM 115 O GLY A 19 16.864 -9.203 -0.143 1.00 84.39 O +ATOM 116 N PRO A 20 18.219 -7.434 0.148 1.00 80.22 N +ATOM 117 CA PRO A 20 19.318 -8.077 -0.564 1.00 81.16 C +ATOM 118 C PRO A 20 19.893 -9.234 0.234 1.00 80.21 C +ATOM 119 O PRO A 20 19.705 -9.328 1.446 1.00 78.84 O +ATOM 120 CB PRO A 20 20.330 -6.946 -0.733 1.00 78.60 C +ATOM 121 CG PRO A 20 20.063 -6.057 0.426 1.00 76.47 C +ATOM 122 CD PRO A 20 18.568 -6.101 0.633 1.00 76.80 C +HETATM 123 N HYP A 21 20.589 -10.118 -0.411 1.00 89.25 N +HETATM 124 CA HYP A 21 21.265 -11.217 0.225 1.00 87.46 C +HETATM 125 C HYP A 21 22.331 -10.724 1.222 1.00 85.59 C +HETATM 126 O HYP A 21 22.899 -9.659 1.022 1.00 87.44 O +HETATM 127 CB HYP A 21 21.956 -11.964 -0.932 1.00 85.68 C +HETATM 128 CG HYP A 21 21.122 -11.633 -2.152 1.00 83.32 C +HETATM 129 CD HYP A 21 20.697 -10.208 -1.863 1.00 86.72 C +HETATM 130 OD1 HYP A 21 19.963 -12.443 -2.224 1.00 84.81 O +ATOM 131 N GLY A 22 22.518 -11.430 2.279 1.00 83.82 N +ATOM 132 CA GLY A 22 23.540 -11.105 3.238 1.00 82.49 C +ATOM 133 C GLY A 22 24.921 -11.268 2.621 1.00 82.22 C +ATOM 134 O GLY A 22 25.068 -11.751 1.497 1.00 80.85 O +ATOM 135 N PRO A 23 25.963 -10.895 3.362 1.00 81.90 N +ATOM 136 CA PRO A 23 27.316 -11.020 2.834 1.00 83.76 C +ATOM 137 C PRO A 23 27.713 -12.482 2.706 1.00 82.84 C +ATOM 138 O PRO A 23 27.154 -13.357 3.362 1.00 79.36 O +ATOM 139 CB PRO A 23 28.169 -10.281 3.869 1.00 79.72 C +ATOM 140 CG PRO A 23 27.383 -10.388 5.120 1.00 76.77 C +ATOM 141 CD PRO A 23 25.937 -10.347 4.711 1.00 77.64 C +HETATM 142 N HYP A 24 28.691 -12.795 1.923 1.00 84.28 N +HETATM 143 CA HYP A 24 29.125 -14.174 1.779 1.00 82.63 C +HETATM 144 C HYP A 24 29.518 -14.741 3.061 1.00 81.55 C +HETATM 145 O HYP A 24 30.228 -14.049 3.807 1.00 80.09 O +HETATM 146 CB HYP A 24 30.297 -14.109 0.780 1.00 83.57 C +HETATM 147 CG HYP A 24 30.111 -12.826 0.032 1.00 81.20 C +HETATM 148 CD HYP A 24 29.425 -11.911 1.063 1.00 83.66 C +HETATM 149 OD1 HYP A 24 29.213 -13.039 -1.046 1.00 80.99 O +HETATM 150 OXT HYP A 24 29.114 -15.892 3.312 1.00 77.68 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_480.txt b/protein_pdb_480.txt new file mode 100644 index 0000000000000000000000000000000000000000..325dcb2fb393209fb13e452274bbde7fbe94fdac --- /dev/null +++ b/protein_pdb_480.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 12.150 -32.636 -7.894 1.00 86.24 N +ATOM 2 CA GLY A 1 12.723 -31.483 -8.582 1.00 89.83 C +ATOM 3 C GLY A 1 12.912 -30.312 -7.645 1.00 90.23 C +ATOM 4 O GLY A 1 12.471 -30.355 -6.498 1.00 86.34 O +ATOM 5 N PRO A 2 13.541 -29.237 -8.102 1.00 90.34 N +ATOM 6 CA PRO A 2 13.754 -28.061 -7.261 1.00 92.58 C +ATOM 7 C PRO A 2 12.448 -27.320 -6.992 1.00 92.53 C +ATOM 8 O PRO A 2 11.493 -27.429 -7.753 1.00 90.61 O +ATOM 9 CB PRO A 2 14.720 -27.201 -8.073 1.00 90.20 C +ATOM 10 CG PRO A 2 14.411 -27.576 -9.482 1.00 87.80 C +ATOM 11 CD PRO A 2 14.104 -29.053 -9.432 1.00 89.15 C +HETATM 12 N HYP A 3 12.427 -26.635 -5.934 1.00 94.07 N +HETATM 13 CA HYP A 3 11.278 -25.774 -5.575 1.00 91.36 C +HETATM 14 C HYP A 3 10.985 -24.730 -6.625 1.00 93.58 C +HETATM 15 O HYP A 3 11.898 -24.217 -7.315 1.00 91.56 O +HETATM 16 CB HYP A 3 11.766 -25.116 -4.298 1.00 92.02 C +HETATM 17 CG HYP A 3 12.761 -26.064 -3.706 1.00 90.38 C +HETATM 18 CD HYP A 3 13.468 -26.579 -4.939 1.00 92.66 C +HETATM 19 OD1 HYP A 3 12.158 -27.131 -3.045 1.00 91.53 O +ATOM 20 N GLY A 4 9.701 -24.380 -6.792 1.00 95.60 N +ATOM 21 CA GLY A 4 9.309 -23.355 -7.724 1.00 94.85 C +ATOM 22 C GLY A 4 9.669 -21.973 -7.198 1.00 94.91 C +ATOM 23 O GLY A 4 10.076 -21.817 -6.042 1.00 94.10 O +ATOM 24 N PRO A 5 9.519 -20.944 -8.030 1.00 95.34 N +ATOM 25 CA PRO A 5 9.850 -19.581 -7.616 1.00 95.16 C +ATOM 26 C PRO A 5 8.844 -19.043 -6.611 1.00 95.24 C +ATOM 27 O PRO A 5 7.698 -19.471 -6.567 1.00 94.15 O +ATOM 28 CB PRO A 5 9.824 -18.794 -8.918 1.00 93.61 C +ATOM 29 CG PRO A 5 8.821 -19.535 -9.738 1.00 92.54 C +ATOM 30 CD PRO A 5 9.045 -20.995 -9.405 1.00 94.12 C +HETATM 31 N HYP A 6 9.278 -18.115 -5.822 1.00 95.28 N +HETATM 32 CA HYP A 6 8.358 -17.390 -4.885 1.00 94.08 C +HETATM 33 C HYP A 6 7.275 -16.648 -5.607 1.00 94.87 C +HETATM 34 O HYP A 6 7.457 -16.220 -6.783 1.00 93.12 O +HETATM 35 CB HYP A 6 9.334 -16.412 -4.209 1.00 91.76 C +HETATM 36 CG HYP A 6 10.680 -17.032 -4.316 1.00 89.86 C +HETATM 37 CD HYP A 6 10.622 -17.710 -5.659 1.00 93.11 C +HETATM 38 OD1 HYP A 6 10.876 -17.978 -3.306 1.00 89.77 O +ATOM 39 N GLY A 7 6.121 -16.450 -4.972 1.00 95.62 N +ATOM 40 CA GLY A 7 5.021 -15.713 -5.546 1.00 95.05 C +ATOM 41 C GLY A 7 5.340 -14.229 -5.643 1.00 95.50 C +ATOM 42 O GLY A 7 6.353 -13.761 -5.124 1.00 95.14 O +ATOM 43 N PRO A 8 4.466 -13.468 -6.295 1.00 93.54 N +ATOM 44 CA PRO A 8 4.683 -12.037 -6.449 1.00 93.65 C +ATOM 45 C PRO A 8 4.498 -11.290 -5.138 1.00 93.52 C +ATOM 46 O PRO A 8 3.799 -11.747 -4.243 1.00 92.27 O +ATOM 47 CB PRO A 8 3.634 -11.626 -7.480 1.00 91.53 C +ATOM 48 CG PRO A 8 2.538 -12.613 -7.252 1.00 90.95 C +ATOM 49 CD PRO A 8 3.241 -13.908 -6.935 1.00 92.51 C +HETATM 50 N HYP A 9 5.089 -10.130 -5.007 1.00 93.07 N +HETATM 51 CA HYP A 9 4.912 -9.262 -3.851 1.00 91.97 C +HETATM 52 C HYP A 9 3.505 -8.783 -3.741 1.00 94.18 C +HETATM 53 O HYP A 9 2.797 -8.652 -4.762 1.00 91.76 O +HETATM 54 CB HYP A 9 5.858 -8.031 -4.164 1.00 92.25 C +HETATM 55 CG HYP A 9 6.893 -8.613 -5.070 1.00 91.32 C +HETATM 56 CD HYP A 9 6.102 -9.617 -5.881 1.00 92.65 C +HETATM 57 OD1 HYP A 9 7.874 -9.298 -4.321 1.00 85.58 O +ATOM 58 N GLY A 10 3.057 -8.481 -2.537 1.00 95.21 N +ATOM 59 CA GLY A 10 1.728 -7.952 -2.312 1.00 93.85 C +ATOM 60 C GLY A 10 1.572 -6.577 -2.934 1.00 93.64 C +ATOM 61 O GLY A 10 2.551 -5.901 -3.260 1.00 92.58 O +ATOM 62 N SER A 11 0.311 -6.150 -3.079 1.00 92.43 N +ATOM 63 CA SER A 11 0.023 -4.848 -3.675 1.00 91.07 C +ATOM 64 C SER A 11 0.242 -3.725 -2.669 1.00 90.31 C +ATOM 65 O SER A 11 0.162 -3.921 -1.458 1.00 87.14 O +ATOM 66 CB SER A 11 -1.418 -4.818 -4.190 1.00 87.08 C +ATOM 67 OG SER A 11 -2.316 -5.041 -3.133 1.00 83.67 O +ATOM 68 N LEU A 12 0.523 -2.529 -3.189 1.00 90.90 N +ATOM 69 CA LEU A 12 0.700 -1.354 -2.342 1.00 90.82 C +ATOM 70 C LEU A 12 -0.638 -0.991 -1.715 1.00 91.22 C +ATOM 71 O LEU A 12 -1.674 -1.041 -2.378 1.00 87.51 O +ATOM 72 CB LEU A 12 1.232 -0.188 -3.180 1.00 87.68 C +ATOM 73 CG LEU A 12 1.479 1.133 -2.439 1.00 82.44 C +ATOM 74 CD1 LEU A 12 2.553 0.967 -1.395 1.00 79.35 C +ATOM 75 CD2 LEU A 12 1.872 2.215 -3.433 1.00 76.02 C +ATOM 76 N GLY A 13 -0.596 -0.648 -0.428 1.00 93.57 N +ATOM 77 CA GLY A 13 -1.817 -0.292 0.278 1.00 92.67 C +ATOM 78 C GLY A 13 -2.465 0.972 -0.250 1.00 93.51 C +ATOM 79 O GLY A 13 -1.859 1.728 -1.014 1.00 93.24 O +ATOM 80 N PRO A 14 -3.711 1.241 0.152 1.00 93.21 N +ATOM 81 CA PRO A 14 -4.428 2.429 -0.306 1.00 93.58 C +ATOM 82 C PRO A 14 -3.859 3.702 0.296 1.00 94.01 C +ATOM 83 O PRO A 14 -3.184 3.669 1.316 1.00 92.99 O +ATOM 84 CB PRO A 14 -5.861 2.186 0.161 1.00 91.93 C +ATOM 85 CG PRO A 14 -5.687 1.342 1.377 1.00 91.65 C +ATOM 86 CD PRO A 14 -4.536 0.428 1.054 1.00 92.46 C +HETATM 87 N HYP A 15 -4.148 4.854 -0.322 1.00 92.36 N +HETATM 88 CA HYP A 15 -3.775 6.145 0.205 1.00 90.78 C +HETATM 89 C HYP A 15 -4.355 6.445 1.567 1.00 93.58 C +HETATM 90 O HYP A 15 -5.397 5.878 1.926 1.00 89.89 O +HETATM 91 CB HYP A 15 -4.346 7.088 -0.853 1.00 89.06 C +HETATM 92 CG HYP A 15 -4.351 6.253 -2.112 1.00 88.90 C +HETATM 93 CD HYP A 15 -4.748 4.913 -1.598 1.00 90.58 C +HETATM 94 OD1 HYP A 15 -3.087 6.172 -2.709 1.00 90.08 O +ATOM 95 N GLY A 16 -3.690 7.204 2.361 1.00 96.01 N +ATOM 96 CA GLY A 16 -4.177 7.561 3.658 1.00 95.45 C +ATOM 97 C GLY A 16 -5.399 8.458 3.577 1.00 95.83 C +ATOM 98 O GLY A 16 -5.795 8.894 2.491 1.00 95.44 O +ATOM 99 N PRO A 17 -6.016 8.764 4.732 1.00 92.30 N +ATOM 100 CA PRO A 17 -7.217 9.597 4.750 1.00 92.48 C +ATOM 101 C PRO A 17 -6.896 11.050 4.419 1.00 92.52 C +ATOM 102 O PRO A 17 -5.786 11.517 4.623 1.00 90.66 O +ATOM 103 CB PRO A 17 -7.722 9.447 6.179 1.00 90.23 C +ATOM 104 CG PRO A 17 -6.487 9.191 6.966 1.00 89.27 C +ATOM 105 CD PRO A 17 -5.636 8.321 6.070 1.00 90.52 C +HETATM 106 N HYP A 18 -7.871 11.795 3.956 1.00 93.09 N +HETATM 107 CA HYP A 18 -7.747 13.214 3.694 1.00 93.08 C +HETATM 108 C HYP A 18 -7.545 14.029 4.964 1.00 93.75 C +HETATM 109 O HYP A 18 -7.961 13.610 6.072 1.00 92.30 O +HETATM 110 CB HYP A 18 -9.133 13.553 3.133 1.00 92.41 C +HETATM 111 CG HYP A 18 -9.646 12.292 2.559 1.00 90.03 C +HETATM 112 CD HYP A 18 -9.116 11.267 3.511 1.00 92.34 C +HETATM 113 OD1 HYP A 18 -9.124 12.054 1.276 1.00 91.54 O +ATOM 114 N GLY A 19 -6.893 15.142 4.849 1.00 93.70 N +ATOM 115 CA GLY A 19 -6.681 16.008 5.978 1.00 93.19 C +ATOM 116 C GLY A 19 -7.985 16.646 6.429 1.00 93.61 C +ATOM 117 O GLY A 19 -9.031 16.482 5.800 1.00 93.42 O +ATOM 118 N PRO A 20 -7.939 17.417 7.527 1.00 93.01 N +ATOM 119 CA PRO A 20 -9.149 18.054 8.049 1.00 92.85 C +ATOM 120 C PRO A 20 -9.615 19.188 7.144 1.00 92.71 C +ATOM 121 O PRO A 20 -8.841 19.746 6.375 1.00 90.96 O +ATOM 122 CB PRO A 20 -8.698 18.575 9.413 1.00 90.84 C +ATOM 123 CG PRO A 20 -7.242 18.803 9.242 1.00 89.90 C +ATOM 124 CD PRO A 20 -6.776 17.690 8.352 1.00 92.06 C +HETATM 125 N HYP A 21 -10.893 19.599 7.268 1.00 94.36 N +HETATM 126 CA HYP A 21 -11.447 20.662 6.495 1.00 92.08 C +HETATM 127 C HYP A 21 -10.843 22.026 6.811 1.00 95.76 C +HETATM 128 O HYP A 21 -10.451 22.262 7.974 1.00 92.61 O +HETATM 129 CB HYP A 21 -12.929 20.725 6.941 1.00 93.72 C +HETATM 130 CG HYP A 21 -13.221 19.381 7.461 1.00 92.35 C +HETATM 131 CD HYP A 21 -11.903 18.936 8.059 1.00 92.64 C +HETATM 132 OD1 HYP A 21 -13.547 18.511 6.396 1.00 90.89 O +ATOM 133 N GLY A 22 -10.682 22.874 5.845 1.00 89.11 N +ATOM 134 CA GLY A 22 -10.169 24.197 6.053 1.00 87.76 C +ATOM 135 C GLY A 22 -11.190 25.059 6.792 1.00 87.44 C +ATOM 136 O GLY A 22 -12.321 24.632 7.029 1.00 85.66 O +ATOM 137 N PRO A 23 -10.832 26.315 7.137 1.00 88.91 N +ATOM 138 CA PRO A 23 -11.753 27.197 7.846 1.00 89.36 C +ATOM 139 C PRO A 23 -12.875 27.662 6.946 1.00 88.83 C +ATOM 140 O PRO A 23 -12.727 27.718 5.727 1.00 84.55 O +ATOM 141 CB PRO A 23 -10.860 28.359 8.291 1.00 84.82 C +ATOM 142 CG PRO A 23 -9.794 28.387 7.254 1.00 81.91 C +ATOM 143 CD PRO A 23 -9.530 26.944 6.917 1.00 84.82 C +HETATM 144 N HYP A 24 -14.026 28.114 7.548 1.00 89.47 N +HETATM 145 CA HYP A 24 -15.134 28.539 6.662 1.00 86.02 C +HETATM 146 C HYP A 24 -14.780 29.936 6.095 1.00 89.39 C +HETATM 147 O HYP A 24 -15.577 30.667 5.636 1.00 89.00 O +HETATM 148 CB HYP A 24 -16.260 28.826 7.737 1.00 89.85 C +HETATM 149 CG HYP A 24 -15.903 28.142 9.002 1.00 88.10 C +HETATM 150 CD HYP A 24 -14.369 28.071 8.968 1.00 88.62 C +HETATM 151 OD1 HYP A 24 -16.390 26.836 8.975 1.00 81.16 O +HETATM 152 OXT HYP A 24 -13.622 30.265 6.139 1.00 82.63 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_481.txt b/protein_pdb_481.txt new file mode 100644 index 0000000000000000000000000000000000000000..2c149bb86c3c4c36620187d724871d6babd3e2bb --- /dev/null +++ b/protein_pdb_481.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 10.811 -2.640 -10.604 1.00 92.21 N +ATOM 2 CA GLY A 1 9.982 -1.503 -10.465 1.00 92.94 C +ATOM 3 C GLY A 1 9.925 -0.913 -9.074 1.00 94.03 C +ATOM 4 O GLY A 1 10.391 -1.514 -8.106 1.00 92.91 O +ATOM 5 N PRO A 2 9.350 0.221 -8.974 1.00 92.11 N +ATOM 6 CA PRO A 2 9.213 0.893 -7.700 1.00 92.29 C +ATOM 7 C PRO A 2 8.159 0.231 -6.831 1.00 92.33 C +ATOM 8 O PRO A 2 7.383 -0.605 -7.299 1.00 90.71 O +ATOM 9 CB PRO A 2 8.797 2.303 -8.100 1.00 89.92 C +ATOM 10 CG PRO A 2 8.051 2.093 -9.367 1.00 87.42 C +ATOM 11 CD PRO A 2 8.782 0.989 -10.070 1.00 89.02 C +HETATM 12 N HYP A 3 8.152 0.627 -5.576 1.00 92.97 N +HETATM 13 CA HYP A 3 7.120 0.103 -4.697 1.00 91.15 C +HETATM 14 C HYP A 3 5.753 0.484 -5.155 1.00 91.85 C +HETATM 15 O HYP A 3 5.573 1.533 -5.803 1.00 93.65 O +HETATM 16 CB HYP A 3 7.463 0.839 -3.354 1.00 88.97 C +HETATM 17 CG HYP A 3 8.942 1.091 -3.445 1.00 86.99 C +HETATM 18 CD HYP A 3 9.135 1.435 -4.939 1.00 91.14 C +HETATM 19 OD1 HYP A 3 9.620 -0.083 -3.134 1.00 88.96 O +ATOM 20 N GLY A 4 4.819 -0.399 -4.903 1.00 94.10 N +ATOM 21 CA GLY A 4 3.458 -0.131 -5.265 1.00 93.05 C +ATOM 22 C GLY A 4 2.897 1.030 -4.463 1.00 93.54 C +ATOM 23 O GLY A 4 3.522 1.513 -3.518 1.00 93.78 O +ATOM 24 N PRO A 5 1.717 1.489 -4.835 1.00 93.80 N +ATOM 25 CA PRO A 5 1.097 2.606 -4.128 1.00 93.28 C +ATOM 26 C PRO A 5 0.645 2.201 -2.736 1.00 93.01 C +ATOM 27 O PRO A 5 0.496 1.023 -2.434 1.00 92.01 O +ATOM 28 CB PRO A 5 -0.082 2.974 -5.018 1.00 92.19 C +ATOM 29 CG PRO A 5 -0.427 1.700 -5.693 1.00 91.27 C +ATOM 30 CD PRO A 5 0.878 1.006 -5.925 1.00 93.05 C +HETATM 31 N HYP A 6 0.440 3.217 -1.893 1.00 93.79 N +HETATM 32 CA HYP A 6 -0.076 2.950 -0.580 1.00 95.45 C +HETATM 33 C HYP A 6 -1.422 2.291 -0.621 1.00 93.56 C +HETATM 34 O HYP A 6 -2.213 2.541 -1.567 1.00 93.51 O +HETATM 35 CB HYP A 6 -0.197 4.390 0.018 1.00 90.46 C +HETATM 36 CG HYP A 6 0.858 5.166 -0.723 1.00 89.86 C +HETATM 37 CD HYP A 6 0.738 4.609 -2.132 1.00 92.51 C +HETATM 38 OD1 HYP A 6 2.122 4.839 -0.193 1.00 90.22 O +ATOM 39 N GLY A 7 -1.656 1.422 0.307 1.00 93.91 N +ATOM 40 CA GLY A 7 -2.931 0.765 0.396 1.00 93.46 C +ATOM 41 C GLY A 7 -4.033 1.756 0.711 1.00 93.92 C +ATOM 42 O GLY A 7 -3.780 2.927 0.991 1.00 94.23 O +ATOM 43 N PRO A 8 -5.261 1.295 0.665 1.00 93.42 N +ATOM 44 CA PRO A 8 -6.381 2.175 0.949 1.00 93.26 C +ATOM 45 C PRO A 8 -6.434 2.545 2.424 1.00 93.41 C +ATOM 46 O PRO A 8 -5.905 1.847 3.273 1.00 91.91 O +ATOM 47 CB PRO A 8 -7.594 1.347 0.541 1.00 91.24 C +ATOM 48 CG PRO A 8 -7.150 -0.052 0.734 1.00 90.19 C +ATOM 49 CD PRO A 8 -5.696 -0.064 0.353 1.00 92.12 C +HETATM 50 N HYP A 9 -7.089 3.653 2.701 1.00 93.17 N +HETATM 51 CA HYP A 9 -7.272 4.069 4.050 1.00 92.29 C +HETATM 52 C HYP A 9 -8.120 3.090 4.801 1.00 93.25 C +HETATM 53 O HYP A 9 -9.007 2.456 4.225 1.00 92.56 O +HETATM 54 CB HYP A 9 -8.001 5.430 3.907 1.00 89.15 C +HETATM 55 CG HYP A 9 -7.666 5.902 2.552 1.00 89.93 C +HETATM 56 CD HYP A 9 -7.578 4.663 1.753 1.00 92.20 C +HETATM 57 OD1 HYP A 9 -6.388 6.510 2.568 1.00 89.00 O +ATOM 58 N GLY A 10 -7.865 2.907 6.056 1.00 92.43 N +ATOM 59 CA GLY A 10 -8.774 2.181 6.901 1.00 90.83 C +ATOM 60 C GLY A 10 -10.042 2.991 7.071 1.00 91.05 C +ATOM 61 O GLY A 10 -10.147 4.128 6.611 1.00 90.07 O +ATOM 62 N LEU A 11 -11.019 2.407 7.747 1.00 91.34 N +ATOM 63 CA LEU A 11 -12.279 3.112 7.948 1.00 92.61 C +ATOM 64 C LEU A 11 -12.034 4.489 8.565 1.00 92.53 C +ATOM 65 O LEU A 11 -12.630 5.481 8.146 1.00 90.35 O +ATOM 66 CB LEU A 11 -13.188 2.274 8.835 1.00 91.48 C +ATOM 67 CG LEU A 11 -14.569 2.859 9.102 1.00 87.12 C +ATOM 68 CD1 LEU A 11 -15.341 3.096 7.822 1.00 85.24 C +ATOM 69 CD2 LEU A 11 -15.349 1.929 10.028 1.00 81.41 C +ATOM 70 N ASN A 12 -11.160 4.528 9.552 1.00 92.18 N +ATOM 71 CA ASN A 12 -10.797 5.778 10.222 1.00 93.46 C +ATOM 72 C ASN A 12 -9.301 5.835 10.475 1.00 93.63 C +ATOM 73 O ASN A 12 -8.855 6.444 11.441 1.00 90.56 O +ATOM 74 CB ASN A 12 -11.552 5.901 11.557 1.00 91.16 C +ATOM 75 CG ASN A 12 -13.049 5.870 11.378 1.00 86.08 C +ATOM 76 OD1 ASN A 12 -13.699 4.890 11.719 1.00 83.86 O +ATOM 77 ND2 ASN A 12 -13.606 6.946 10.837 1.00 79.18 N +ATOM 78 N GLY A 13 -8.524 5.198 9.617 1.00 94.41 N +ATOM 79 CA GLY A 13 -7.108 5.053 9.874 1.00 93.81 C +ATOM 80 C GLY A 13 -6.236 5.425 8.699 1.00 94.54 C +ATOM 81 O GLY A 13 -6.722 5.854 7.651 1.00 94.34 O +ATOM 82 N PRO A 14 -4.940 5.269 8.880 1.00 95.23 N +ATOM 83 CA PRO A 14 -3.986 5.643 7.851 1.00 94.97 C +ATOM 84 C PRO A 14 -4.030 4.688 6.671 1.00 95.11 C +ATOM 85 O PRO A 14 -4.581 3.597 6.752 1.00 94.13 O +ATOM 86 CB PRO A 14 -2.642 5.559 8.568 1.00 93.60 C +ATOM 87 CG PRO A 14 -2.856 4.516 9.597 1.00 92.44 C +ATOM 88 CD PRO A 14 -4.277 4.713 10.057 1.00 93.88 C +HETATM 89 N HYP A 15 -3.437 5.136 5.627 1.00 93.67 N +HETATM 90 CA HYP A 15 -3.282 4.290 4.452 1.00 94.06 C +HETATM 91 C HYP A 15 -2.473 3.070 4.753 1.00 95.48 C +HETATM 92 O HYP A 15 -1.633 3.097 5.684 1.00 94.15 O +HETATM 93 CB HYP A 15 -2.549 5.259 3.503 1.00 92.48 C +HETATM 94 CG HYP A 15 -2.944 6.641 3.973 1.00 91.07 C +HETATM 95 CD HYP A 15 -2.995 6.494 5.468 1.00 93.10 C +HETATM 96 OD1 HYP A 15 -4.221 6.967 3.495 1.00 90.53 O +ATOM 97 N GLY A 16 -2.730 2.030 4.034 1.00 95.33 N +ATOM 98 CA GLY A 16 -1.939 0.841 4.176 1.00 95.15 C +ATOM 99 C GLY A 16 -0.521 1.074 3.698 1.00 95.64 C +ATOM 100 O GLY A 16 -0.204 2.113 3.119 1.00 95.38 O +ATOM 101 N PRO A 17 0.347 0.092 3.934 1.00 94.21 N +ATOM 102 CA PRO A 17 1.733 0.230 3.516 1.00 94.15 C +ATOM 103 C PRO A 17 1.861 0.154 2.008 1.00 94.33 C +ATOM 104 O PRO A 17 0.975 -0.341 1.315 1.00 92.95 O +ATOM 105 CB PRO A 17 2.420 -0.948 4.193 1.00 92.80 C +ATOM 106 CG PRO A 17 1.343 -1.960 4.331 1.00 91.43 C +ATOM 107 CD PRO A 17 0.093 -1.175 4.600 1.00 93.42 C +HETATM 108 N HYP A 18 2.971 0.668 1.505 1.00 92.19 N +HETATM 109 CA HYP A 18 3.261 0.548 0.111 1.00 90.66 C +HETATM 110 C HYP A 18 3.349 -0.869 -0.340 1.00 93.07 C +HETATM 111 O HYP A 18 3.697 -1.756 0.451 1.00 92.77 O +HETATM 112 CB HYP A 18 4.655 1.228 0.021 1.00 89.00 C +HETATM 113 CG HYP A 18 4.659 2.212 1.155 1.00 87.44 C +HETATM 114 CD HYP A 18 3.932 1.444 2.242 1.00 91.75 C +HETATM 115 OD1 HYP A 18 3.907 3.363 0.807 1.00 89.61 O +ATOM 116 N GLY A 19 2.977 -1.126 -1.559 1.00 92.64 N +ATOM 117 CA GLY A 19 3.096 -2.434 -2.127 1.00 92.17 C +ATOM 118 C GLY A 19 4.548 -2.827 -2.291 1.00 92.64 C +ATOM 119 O GLY A 19 5.448 -2.001 -2.149 1.00 93.35 O +ATOM 120 N PRO A 20 4.787 -4.091 -2.597 1.00 89.30 N +ATOM 121 CA PRO A 20 6.150 -4.552 -2.788 1.00 89.47 C +ATOM 122 C PRO A 20 6.742 -3.993 -4.071 1.00 89.44 C +ATOM 123 O PRO A 20 6.027 -3.537 -4.957 1.00 89.52 O +ATOM 124 CB PRO A 20 6.002 -6.066 -2.855 1.00 88.12 C +ATOM 125 CG PRO A 20 4.625 -6.261 -3.377 1.00 87.15 C +ATOM 126 CD PRO A 20 3.806 -5.149 -2.786 1.00 88.96 C +HETATM 127 N HYP A 21 8.067 -4.022 -4.129 1.00 91.56 N +HETATM 128 CA HYP A 21 8.730 -3.603 -5.333 1.00 90.99 C +HETATM 129 C HYP A 21 8.294 -4.380 -6.545 1.00 91.35 C +HETATM 130 O HYP A 21 8.003 -5.573 -6.451 1.00 92.59 O +HETATM 131 CB HYP A 21 10.210 -3.860 -5.026 1.00 89.07 C +HETATM 132 CG HYP A 21 10.304 -3.791 -3.537 1.00 87.02 C +HETATM 133 CD HYP A 21 9.010 -4.398 -3.074 1.00 91.08 C +HETATM 134 OD1 HYP A 21 10.339 -2.421 -3.110 1.00 87.18 O +ATOM 135 N GLY A 22 8.160 -3.716 -7.668 1.00 91.44 N +ATOM 136 CA GLY A 22 7.826 -4.367 -8.899 1.00 89.45 C +ATOM 137 C GLY A 22 9.005 -5.169 -9.408 1.00 89.64 C +ATOM 138 O GLY A 22 10.106 -5.090 -8.868 1.00 89.89 O +ATOM 139 N PRO A 23 8.807 -5.952 -10.465 1.00 92.10 N +ATOM 140 CA PRO A 23 9.889 -6.751 -11.029 1.00 91.85 C +ATOM 141 C PRO A 23 10.848 -5.854 -11.801 1.00 91.10 C +ATOM 142 O PRO A 23 10.541 -5.395 -12.887 1.00 88.51 O +ATOM 143 CB PRO A 23 9.162 -7.730 -11.930 1.00 89.43 C +ATOM 144 CG PRO A 23 7.930 -7.007 -12.335 1.00 87.45 C +ATOM 145 CD PRO A 23 7.550 -6.159 -11.151 1.00 90.07 C +HETATM 146 N HYP A 24 11.917 -5.450 -11.192 1.00 94.87 N +HETATM 147 CA HYP A 24 12.743 -4.218 -11.400 1.00 90.53 C +HETATM 148 C HYP A 24 12.241 -2.970 -11.312 1.00 94.15 C +HETATM 149 O HYP A 24 12.933 -1.978 -10.753 1.00 93.10 O +HETATM 150 CB HYP A 24 14.116 -4.571 -11.643 1.00 89.72 C +HETATM 151 CG HYP A 24 14.043 -6.040 -12.010 1.00 88.50 C +HETATM 152 CD HYP A 24 12.700 -6.557 -11.365 1.00 92.46 C +HETATM 153 OD1 HYP A 24 15.132 -6.758 -11.525 1.00 89.31 O +HETATM 154 OXT HYP A 24 11.791 -2.404 -12.421 1.00 88.71 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_482.txt b/protein_pdb_482.txt new file mode 100644 index 0000000000000000000000000000000000000000..245823d16303ab75b1108f8c24a4e2c9ccca18ae --- /dev/null +++ b/protein_pdb_482.txt @@ -0,0 +1,1747 @@ +ATOM 1 N GLY A 1 93.225 87.380 -29.550 1.00 58.00 N +ATOM 2 CA GLY A 1 92.554 86.725 -28.414 1.00 61.69 C +ATOM 3 C GLY A 1 92.174 85.322 -28.841 1.00 59.95 C +ATOM 4 O GLY A 1 92.004 85.112 -30.037 1.00 57.46 O +ATOM 5 N GLN A 2 92.181 84.408 -27.943 1.00 64.02 N +ATOM 6 CA GLN A 2 91.669 83.074 -28.239 1.00 67.83 C +ATOM 7 C GLN A 2 90.141 83.112 -28.207 1.00 66.43 C +ATOM 8 O GLN A 2 89.571 83.702 -27.296 1.00 62.36 O +ATOM 9 CB GLN A 2 92.211 82.057 -27.218 1.00 65.17 C +ATOM 10 CG GLN A 2 93.717 81.785 -27.411 1.00 59.60 C +ATOM 11 CD GLN A 2 94.289 80.798 -26.384 1.00 55.04 C +ATOM 12 OE1 GLN A 2 93.661 80.381 -25.437 1.00 53.60 O +ATOM 13 NE2 GLN A 2 95.532 80.398 -26.524 1.00 49.88 N +ATOM 14 N ASP A 3 89.499 82.487 -29.212 1.00 65.39 N +ATOM 15 CA ASP A 3 88.036 82.363 -29.250 1.00 68.29 C +ATOM 16 C ASP A 3 87.527 81.602 -28.014 1.00 65.74 C +ATOM 17 O ASP A 3 88.162 80.650 -27.529 1.00 60.75 O +ATOM 18 CB ASP A 3 87.602 81.667 -30.557 1.00 65.23 C +ATOM 19 CG ASP A 3 87.971 82.454 -31.819 1.00 59.46 C +ATOM 20 OD1 ASP A 3 87.981 83.705 -31.752 1.00 56.29 O +ATOM 21 OD2 ASP A 3 88.290 81.802 -32.839 1.00 54.90 O +ATOM 22 N GLY A 4 86.408 82.047 -27.483 1.00 63.38 N +ATOM 23 CA GLY A 4 85.747 81.392 -26.360 1.00 64.86 C +ATOM 24 C GLY A 4 85.360 79.953 -26.710 1.00 65.32 C +ATOM 25 O GLY A 4 84.900 79.678 -27.815 1.00 62.42 O +ATOM 26 N ARG A 5 85.597 79.068 -25.797 1.00 64.69 N +ATOM 27 CA ARG A 5 85.179 77.676 -25.985 1.00 69.21 C +ATOM 28 C ARG A 5 83.662 77.595 -25.928 1.00 67.94 C +ATOM 29 O ARG A 5 83.048 78.218 -25.062 1.00 66.41 O +ATOM 30 CB ARG A 5 85.820 76.758 -24.935 1.00 66.64 C +ATOM 31 CG ARG A 5 87.351 76.668 -25.083 1.00 60.77 C +ATOM 32 CD ARG A 5 87.914 75.679 -24.066 1.00 58.91 C +ATOM 33 NE ARG A 5 89.388 75.578 -24.153 1.00 55.69 N +ATOM 34 CZ ARG A 5 90.161 74.757 -23.461 1.00 49.69 C +ATOM 35 NH1 ARG A 5 89.665 73.928 -22.581 1.00 49.49 N +ATOM 36 NH2 ARG A 5 91.442 74.762 -23.635 1.00 48.08 N +ATOM 37 N ASN A 6 83.084 76.823 -26.822 1.00 69.68 N +ATOM 38 CA ASN A 6 81.656 76.522 -26.775 1.00 72.12 C +ATOM 39 C ASN A 6 81.287 75.898 -25.420 1.00 70.87 C +ATOM 40 O ASN A 6 82.068 75.140 -24.850 1.00 66.48 O +ATOM 41 CB ASN A 6 81.278 75.581 -27.936 1.00 67.99 C +ATOM 42 CG ASN A 6 81.357 76.218 -29.310 1.00 61.57 C +ATOM 43 OD1 ASN A 6 81.544 77.406 -29.482 1.00 57.42 O +ATOM 44 ND2 ASN A 6 81.241 75.433 -30.362 1.00 55.85 N +ATOM 45 N GLY A 7 80.115 76.253 -24.928 1.00 68.56 N +ATOM 46 CA GLY A 7 79.569 75.633 -23.724 1.00 69.43 C +ATOM 47 C GLY A 7 79.349 74.128 -23.915 1.00 70.64 C +ATOM 48 O GLY A 7 79.047 73.671 -25.022 1.00 68.11 O +ATOM 49 N GLU A 8 79.539 73.398 -22.864 1.00 64.64 N +ATOM 50 CA GLU A 8 79.293 71.956 -22.881 1.00 68.71 C +ATOM 51 C GLU A 8 77.802 71.659 -23.068 1.00 67.60 C +ATOM 52 O GLU A 8 76.932 72.367 -22.549 1.00 66.56 O +ATOM 53 CB GLU A 8 79.838 71.287 -21.605 1.00 66.29 C +ATOM 54 CG GLU A 8 81.374 71.375 -21.527 1.00 61.01 C +ATOM 55 CD GLU A 8 81.984 70.689 -20.293 1.00 57.96 C +ATOM 56 OE1 GLU A 8 83.234 70.516 -20.289 1.00 55.61 O +ATOM 57 OE2 GLU A 8 81.232 70.383 -19.334 1.00 53.75 O +ATOM 58 N ARG A 9 77.483 70.620 -23.832 1.00 68.78 N +ATOM 59 CA ARG A 9 76.108 70.150 -24.036 1.00 72.05 C +ATOM 60 C ARG A 9 75.502 69.691 -22.714 1.00 69.96 C +ATOM 61 O ARG A 9 76.171 69.019 -21.931 1.00 65.29 O +ATOM 62 CB ARG A 9 76.109 69.031 -25.091 1.00 68.54 C +ATOM 63 CG ARG A 9 74.698 68.598 -25.497 1.00 62.89 C +ATOM 64 CD ARG A 9 74.783 67.516 -26.583 1.00 61.63 C +ATOM 65 NE ARG A 9 73.468 67.152 -27.125 1.00 58.68 N +ATOM 66 CZ ARG A 9 73.238 66.325 -28.119 1.00 52.87 C +ATOM 67 NH1 ARG A 9 74.195 65.664 -28.713 1.00 52.70 N +ATOM 68 NH2 ARG A 9 72.025 66.139 -28.558 1.00 51.15 N +ATOM 69 N GLY A 10 74.290 70.098 -22.466 1.00 73.48 N +ATOM 70 CA GLY A 10 73.570 69.649 -21.282 1.00 73.85 C +ATOM 71 C GLY A 10 73.414 68.121 -21.240 1.00 74.44 C +ATOM 72 O GLY A 10 73.214 67.488 -22.280 1.00 72.14 O +ATOM 73 N GLU A 11 73.497 67.572 -20.055 1.00 67.36 N +ATOM 74 CA GLU A 11 73.309 66.135 -19.861 1.00 72.17 C +ATOM 75 C GLU A 11 71.867 65.724 -20.166 1.00 70.62 C +ATOM 76 O GLU A 11 70.908 66.448 -19.876 1.00 69.33 O +ATOM 77 CB GLU A 11 73.690 65.706 -18.427 1.00 69.12 C +ATOM 78 CG GLU A 11 75.187 65.897 -18.137 1.00 63.65 C +ATOM 79 CD GLU A 11 75.604 65.396 -16.740 1.00 61.86 C +ATOM 80 OE1 GLU A 11 76.833 65.236 -16.519 1.00 57.99 O +ATOM 81 OE2 GLU A 11 74.711 65.188 -15.878 1.00 56.64 O +ATOM 82 N GLN A 12 71.697 64.554 -20.756 1.00 70.75 N +ATOM 83 CA GLN A 12 70.382 63.978 -21.010 1.00 73.76 C +ATOM 84 C GLN A 12 69.663 63.691 -19.690 1.00 72.06 C +ATOM 85 O GLN A 12 70.245 63.168 -18.741 1.00 67.17 O +ATOM 86 CB GLN A 12 70.552 62.709 -21.868 1.00 71.51 C +ATOM 87 CG GLN A 12 69.207 62.115 -22.309 1.00 67.72 C +ATOM 88 CD GLN A 12 69.355 60.950 -23.290 1.00 64.99 C +ATOM 89 OE1 GLN A 12 70.412 60.384 -23.504 1.00 63.16 O +ATOM 90 NE2 GLN A 12 68.292 60.533 -23.943 1.00 58.55 N +ATOM 91 N GLY A 13 68.400 64.047 -19.622 1.00 75.05 N +ATOM 92 CA GLY A 13 67.574 63.736 -18.451 1.00 75.88 C +ATOM 93 C GLY A 13 67.453 62.221 -18.217 1.00 76.63 C +ATOM 94 O GLY A 13 67.438 61.456 -19.181 1.00 74.32 O +ATOM 95 N PRO A 14 67.359 61.785 -16.960 1.00 72.06 N +ATOM 96 CA PRO A 14 67.202 60.368 -16.656 1.00 75.63 C +ATOM 97 C PRO A 14 65.882 59.829 -17.216 1.00 74.13 C +ATOM 98 O PRO A 14 64.865 60.535 -17.239 1.00 72.23 O +ATOM 99 CB PRO A 14 67.257 60.259 -15.131 1.00 73.64 C +ATOM 100 CG PRO A 14 66.761 61.618 -14.661 1.00 71.12 C +ATOM 101 CD PRO A 14 67.292 62.573 -15.730 1.00 73.92 C +ATOM 102 N THR A 15 65.871 58.586 -17.630 1.00 77.69 N +ATOM 103 CA THR A 15 64.652 57.879 -18.027 1.00 79.24 C +ATOM 104 C THR A 15 63.670 57.844 -16.854 1.00 77.15 C +ATOM 105 O THR A 15 64.057 57.613 -15.707 1.00 72.60 O +ATOM 106 CB THR A 15 64.980 56.450 -18.488 1.00 76.48 C +ATOM 107 OG1 THR A 15 65.982 56.485 -19.484 1.00 72.01 O +ATOM 108 CG2 THR A 15 63.793 55.717 -19.087 1.00 70.79 C +ATOM 109 N GLY A 16 62.397 58.102 -17.122 1.00 77.37 N +ATOM 110 CA GLY A 16 61.335 57.994 -16.124 1.00 77.71 C +ATOM 111 C GLY A 16 61.208 56.561 -15.575 1.00 78.51 C +ATOM 112 O GLY A 16 61.506 55.608 -16.288 1.00 76.33 O +ATOM 113 N PRO A 17 60.782 56.422 -14.330 1.00 75.08 N +ATOM 114 CA PRO A 17 60.585 55.097 -13.748 1.00 77.52 C +ATOM 115 C PRO A 17 59.492 54.332 -14.497 1.00 75.63 C +ATOM 116 O PRO A 17 58.497 54.925 -14.931 1.00 73.21 O +ATOM 117 CB PRO A 17 60.208 55.338 -12.284 1.00 75.59 C +ATOM 118 CG PRO A 17 59.552 56.713 -12.318 1.00 73.69 C +ATOM 119 CD PRO A 17 60.335 57.453 -13.400 1.00 76.73 C +ATOM 120 N THR A 18 59.642 53.034 -14.589 1.00 78.96 N +ATOM 121 CA THR A 18 58.607 52.146 -15.133 1.00 79.74 C +ATOM 122 C THR A 18 57.309 52.284 -14.333 1.00 77.16 C +ATOM 123 O THR A 18 57.329 52.316 -13.094 1.00 72.35 O +ATOM 124 CB THR A 18 59.090 50.686 -15.119 1.00 76.83 C +ATOM 125 OG1 THR A 18 60.356 50.582 -15.728 1.00 72.77 O +ATOM 126 CG2 THR A 18 58.146 49.730 -15.839 1.00 71.52 C +ATOM 127 N GLY A 19 56.190 52.399 -15.018 1.00 79.25 N +ATOM 128 CA GLY A 19 54.872 52.438 -14.390 1.00 79.64 C +ATOM 129 C GLY A 19 54.579 51.161 -13.590 1.00 80.40 C +ATOM 130 O GLY A 19 55.053 50.083 -13.952 1.00 78.23 O +ATOM 131 N PRO A 20 53.803 51.266 -12.518 1.00 74.49 N +ATOM 132 CA PRO A 20 53.410 50.083 -11.756 1.00 76.20 C +ATOM 133 C PRO A 20 52.586 49.133 -12.631 1.00 73.77 C +ATOM 134 O PRO A 20 51.794 49.572 -13.468 1.00 71.42 O +ATOM 135 CB PRO A 20 52.610 50.598 -10.558 1.00 74.47 C +ATOM 136 CG PRO A 20 52.030 51.914 -11.076 1.00 72.66 C +ATOM 137 CD PRO A 20 53.123 52.443 -12.004 1.00 75.42 C +ATOM 138 N ALA A 21 52.731 47.838 -12.395 1.00 79.67 N +ATOM 139 CA ALA A 21 51.902 46.836 -13.058 1.00 80.73 C +ATOM 140 C ALA A 21 50.405 47.072 -12.781 1.00 79.16 C +ATOM 141 O ALA A 21 50.013 47.431 -11.664 1.00 74.96 O +ATOM 142 CB ALA A 21 52.337 45.429 -12.617 1.00 77.49 C +ATOM 143 N GLY A 22 49.582 46.882 -13.797 1.00 77.87 N +ATOM 144 CA GLY A 22 48.134 46.991 -13.658 1.00 78.25 C +ATOM 145 C GLY A 22 47.572 45.993 -12.636 1.00 79.44 C +ATOM 146 O GLY A 22 48.118 44.904 -12.463 1.00 77.13 O +ATOM 147 N PRO A 23 46.480 46.360 -11.940 1.00 70.18 N +ATOM 148 CA PRO A 23 45.849 45.444 -10.995 1.00 72.99 C +ATOM 149 C PRO A 23 45.379 44.174 -11.716 1.00 71.18 C +ATOM 150 O PRO A 23 44.888 44.217 -12.845 1.00 68.32 O +ATOM 151 CB PRO A 23 44.689 46.224 -10.367 1.00 70.78 C +ATOM 152 CG PRO A 23 44.329 47.251 -11.436 1.00 68.78 C +ATOM 153 CD PRO A 23 45.682 47.573 -12.080 1.00 71.39 C +ATOM 154 N ARG A 24 45.490 43.029 -11.041 1.00 67.28 N +ATOM 155 CA ARG A 24 44.978 41.760 -11.564 1.00 71.58 C +ATOM 156 C ARG A 24 43.472 41.845 -11.774 1.00 67.87 C +ATOM 157 O ARG A 24 42.755 42.354 -10.907 1.00 63.50 O +ATOM 158 CB ARG A 24 45.368 40.627 -10.606 1.00 69.39 C +ATOM 159 CG ARG A 24 45.008 39.243 -11.163 1.00 66.24 C +ATOM 160 CD ARG A 24 45.500 38.140 -10.213 1.00 66.17 C +ATOM 161 NE ARG A 24 45.173 36.794 -10.715 1.00 62.16 N +ATOM 162 CZ ARG A 24 45.536 35.650 -10.182 1.00 56.10 C +ATOM 163 NH1 ARG A 24 46.250 35.604 -9.090 1.00 56.08 N +ATOM 164 NH2 ARG A 24 45.183 34.523 -10.726 1.00 53.83 N +ATOM 165 N GLY A 25 42.990 41.337 -12.902 1.00 72.07 N +ATOM 166 CA GLY A 25 41.562 41.233 -13.179 1.00 72.36 C +ATOM 167 C GLY A 25 40.811 40.474 -12.080 1.00 73.20 C +ATOM 168 O GLY A 25 41.358 39.555 -11.462 1.00 69.96 O +ATOM 169 N LEU A 26 39.566 40.901 -11.807 1.00 63.40 N +ATOM 170 CA LEU A 26 38.722 40.232 -10.822 1.00 67.48 C +ATOM 171 C LEU A 26 38.426 38.796 -11.274 1.00 66.33 C +ATOM 172 O LEU A 26 38.201 38.541 -12.453 1.00 63.75 O +ATOM 173 CB LEU A 26 37.418 41.021 -10.597 1.00 65.00 C +ATOM 174 CG LEU A 26 37.607 42.414 -9.967 1.00 60.33 C +ATOM 175 CD1 LEU A 26 36.261 43.134 -9.884 1.00 57.64 C +ATOM 176 CD2 LEU A 26 38.200 42.344 -8.559 1.00 55.94 C +ATOM 177 N GLN A 27 38.414 37.871 -10.320 1.00 65.12 N +ATOM 178 CA GLN A 27 38.036 36.498 -10.604 1.00 69.13 C +ATOM 179 C GLN A 27 36.579 36.439 -11.078 1.00 66.05 C +ATOM 180 O GLN A 27 35.709 37.075 -10.478 1.00 62.20 O +ATOM 181 CB GLN A 27 38.277 35.649 -9.343 1.00 67.76 C +ATOM 182 CG GLN A 27 38.018 34.146 -9.582 1.00 65.08 C +ATOM 183 CD GLN A 27 38.376 33.275 -8.378 1.00 62.89 C +ATOM 184 OE1 GLN A 27 38.905 33.723 -7.371 1.00 61.01 O +ATOM 185 NE2 GLN A 27 38.113 31.991 -8.440 1.00 56.87 N +ATOM 186 N GLY A 28 36.309 35.694 -12.142 1.00 65.30 N +ATOM 187 CA GLY A 28 34.958 35.456 -12.637 1.00 66.72 C +ATOM 188 C GLY A 28 34.055 34.849 -11.553 1.00 67.31 C +ATOM 189 O GLY A 28 34.511 34.084 -10.701 1.00 64.51 O +ATOM 190 N LEU A 29 32.776 35.240 -11.570 1.00 59.81 N +ATOM 191 CA LEU A 29 31.799 34.699 -10.623 1.00 64.46 C +ATOM 192 C LEU A 29 31.642 33.189 -10.846 1.00 63.61 C +ATOM 193 O LEU A 29 31.619 32.710 -11.980 1.00 61.15 O +ATOM 194 CB LEU A 29 30.453 35.428 -10.758 1.00 62.13 C +ATOM 195 CG LEU A 29 30.483 36.919 -10.374 1.00 57.89 C +ATOM 196 CD1 LEU A 29 29.125 37.557 -10.635 1.00 55.79 C +ATOM 197 CD2 LEU A 29 30.826 37.127 -8.894 1.00 53.83 C +ATOM 198 N GLN A 30 31.501 32.448 -9.752 1.00 61.20 N +ATOM 199 CA GLN A 30 31.227 31.020 -9.833 1.00 66.21 C +ATOM 200 C GLN A 30 29.882 30.779 -10.530 1.00 63.58 C +ATOM 201 O GLN A 30 28.889 31.444 -10.210 1.00 59.70 O +ATOM 202 CB GLN A 30 31.272 30.416 -8.420 1.00 64.77 C +ATOM 203 CG GLN A 30 31.134 28.880 -8.429 1.00 61.90 C +ATOM 204 CD GLN A 30 31.304 28.254 -7.049 1.00 59.31 C +ATOM 205 OE1 GLN A 30 31.562 28.899 -6.050 1.00 57.94 O +ATOM 206 NE2 GLN A 30 31.165 26.951 -6.940 1.00 53.80 N +ATOM 207 N GLY A 31 29.840 29.840 -11.478 1.00 61.10 N +ATOM 208 CA GLY A 31 28.604 29.432 -12.144 1.00 62.84 C +ATOM 209 C GLY A 31 27.551 28.944 -11.148 1.00 64.42 C +ATOM 210 O GLY A 31 27.879 28.339 -10.120 1.00 61.92 O +ATOM 211 N LEU A 32 26.276 29.227 -11.435 1.00 60.73 N +ATOM 212 CA LEU A 32 25.179 28.765 -10.599 1.00 65.37 C +ATOM 213 C LEU A 32 25.132 27.230 -10.610 1.00 64.60 C +ATOM 214 O LEU A 32 25.338 26.594 -11.641 1.00 62.15 O +ATOM 215 CB LEU A 32 23.843 29.373 -11.069 1.00 62.79 C +ATOM 216 CG LEU A 32 23.743 30.902 -10.924 1.00 58.19 C +ATOM 217 CD1 LEU A 32 22.419 31.396 -11.501 1.00 55.53 C +ATOM 218 CD2 LEU A 32 23.814 31.351 -9.459 1.00 54.30 C +ATOM 219 N GLN A 33 24.833 26.648 -9.446 1.00 65.14 N +ATOM 220 CA GLN A 33 24.646 25.208 -9.350 1.00 70.53 C +ATOM 221 C GLN A 33 23.449 24.780 -10.208 1.00 67.88 C +ATOM 222 O GLN A 33 22.389 25.405 -10.139 1.00 63.98 O +ATOM 223 CB GLN A 33 24.475 24.816 -7.877 1.00 67.88 C +ATOM 224 CG GLN A 33 24.398 23.291 -7.683 1.00 63.91 C +ATOM 225 CD GLN A 33 24.331 22.864 -6.221 1.00 60.49 C +ATOM 226 OE1 GLN A 33 24.407 23.641 -5.284 1.00 59.42 O +ATOM 227 NE2 GLN A 33 24.188 21.583 -5.956 1.00 55.41 N +ATOM 228 N GLY A 34 23.603 23.717 -10.997 1.00 61.91 N +ATOM 229 CA GLY A 34 22.520 23.146 -11.795 1.00 63.82 C +ATOM 230 C GLY A 34 21.332 22.721 -10.928 1.00 66.10 C +ATOM 231 O GLY A 34 21.490 22.291 -9.789 1.00 63.50 O +ATOM 232 N GLU A 35 20.115 22.863 -11.479 1.00 58.93 N +ATOM 233 CA GLU A 35 18.897 22.451 -10.784 1.00 65.64 C +ATOM 234 C GLU A 35 18.904 20.943 -10.517 1.00 64.62 C +ATOM 235 O GLU A 35 19.382 20.138 -11.319 1.00 62.59 O +ATOM 236 CB GLU A 35 17.638 22.862 -11.569 1.00 62.42 C +ATOM 237 CG GLU A 35 17.490 24.400 -11.654 1.00 57.50 C +ATOM 238 CD GLU A 35 16.166 24.841 -12.300 1.00 53.62 C +ATOM 239 OE1 GLU A 35 15.827 26.032 -12.114 1.00 51.20 O +ATOM 240 OE2 GLU A 35 15.519 24.003 -12.964 1.00 49.85 O +ATOM 241 N ARG A 36 18.378 20.561 -9.354 1.00 66.19 N +ATOM 242 CA ARG A 36 18.255 19.146 -9.006 1.00 71.99 C +ATOM 243 C ARG A 36 17.263 18.478 -9.960 1.00 69.49 C +ATOM 244 O ARG A 36 16.171 18.992 -10.149 1.00 64.97 O +ATOM 245 CB ARG A 36 17.830 19.018 -7.540 1.00 69.02 C +ATOM 246 CG ARG A 36 17.791 17.548 -7.076 1.00 65.61 C +ATOM 247 CD ARG A 36 17.432 17.482 -5.595 1.00 64.10 C +ATOM 248 NE ARG A 36 17.393 16.094 -5.109 1.00 61.83 N +ATOM 249 CZ ARG A 36 17.199 15.704 -3.865 1.00 56.61 C +ATOM 250 NH1 ARG A 36 17.009 16.572 -2.903 1.00 56.51 N +ATOM 251 NH2 ARG A 36 17.189 14.441 -3.562 1.00 55.27 N +ATOM 252 N GLY A 37 17.627 17.316 -10.497 1.00 62.09 N +ATOM 253 CA GLY A 37 16.730 16.529 -11.342 1.00 63.05 C +ATOM 254 C GLY A 37 15.416 16.177 -10.632 1.00 65.21 C +ATOM 255 O GLY A 37 15.391 15.967 -9.414 1.00 63.30 O +ATOM 256 N GLU A 38 14.328 16.118 -11.411 1.00 56.86 N +ATOM 257 CA GLU A 38 13.006 15.757 -10.888 1.00 63.25 C +ATOM 258 C GLU A 38 13.014 14.339 -10.306 1.00 61.01 C +ATOM 259 O GLU A 38 13.715 13.435 -10.764 1.00 59.16 O +ATOM 260 CB GLU A 38 11.930 15.890 -11.972 1.00 61.11 C +ATOM 261 CG GLU A 38 11.724 17.350 -12.438 1.00 56.59 C +ATOM 262 CD GLU A 38 10.547 17.506 -13.419 1.00 53.25 C +ATOM 263 OE1 GLU A 38 10.114 18.668 -13.603 1.00 51.27 O +ATOM 264 OE2 GLU A 38 10.080 16.480 -13.961 1.00 50.12 O +ATOM 265 N GLN A 39 12.206 14.147 -9.255 1.00 66.76 N +ATOM 266 CA GLN A 39 12.048 12.821 -8.676 1.00 70.27 C +ATOM 267 C GLN A 39 11.359 11.897 -9.677 1.00 67.76 C +ATOM 268 O GLN A 39 10.347 12.255 -10.270 1.00 63.64 O +ATOM 269 CB GLN A 39 11.279 12.945 -7.345 1.00 68.59 C +ATOM 270 CG GLN A 39 11.153 11.598 -6.625 1.00 65.78 C +ATOM 271 CD GLN A 39 10.526 11.715 -5.230 1.00 63.09 C +ATOM 272 OE1 GLN A 39 10.333 12.777 -4.671 1.00 62.59 O +ATOM 273 NE2 GLN A 39 10.208 10.601 -4.603 1.00 58.59 N +ATOM 274 N GLY A 40 11.885 10.688 -9.845 1.00 61.78 N +ATOM 275 CA GLY A 40 11.269 9.683 -10.710 1.00 62.15 C +ATOM 276 C GLY A 40 9.844 9.323 -10.270 1.00 62.91 C +ATOM 277 O GLY A 40 9.518 9.432 -9.084 1.00 60.89 O +ATOM 278 N PRO A 41 8.976 8.884 -11.216 1.00 59.97 N +ATOM 279 CA PRO A 41 7.606 8.518 -10.903 1.00 63.33 C +ATOM 280 C PRO A 41 7.558 7.370 -9.880 1.00 61.04 C +ATOM 281 O PRO A 41 8.422 6.497 -9.866 1.00 59.28 O +ATOM 282 CB PRO A 41 6.960 8.140 -12.236 1.00 62.85 C +ATOM 283 CG PRO A 41 8.142 7.689 -13.085 1.00 61.00 C +ATOM 284 CD PRO A 41 9.275 8.605 -12.607 1.00 62.74 C +ATOM 285 N THR A 42 6.520 7.378 -9.047 1.00 68.68 N +ATOM 286 CA THR A 42 6.261 6.275 -8.108 1.00 70.24 C +ATOM 287 C THR A 42 6.031 4.980 -8.893 1.00 67.89 C +ATOM 288 O THR A 42 5.298 4.977 -9.880 1.00 64.01 O +ATOM 289 CB THR A 42 5.052 6.587 -7.218 1.00 68.47 C +ATOM 290 OG1 THR A 42 5.250 7.824 -6.567 1.00 64.35 O +ATOM 291 CG2 THR A 42 4.822 5.558 -6.120 1.00 63.83 C +ATOM 292 N GLY A 43 6.640 3.878 -8.445 1.00 60.86 N +ATOM 293 CA GLY A 43 6.432 2.563 -9.045 1.00 62.02 C +ATOM 294 C GLY A 43 4.958 2.124 -8.997 1.00 62.80 C +ATOM 295 O GLY A 43 4.203 2.580 -8.130 1.00 61.21 O +ATOM 296 N PRO A 44 4.522 1.247 -9.929 1.00 61.88 N +ATOM 297 CA PRO A 44 3.158 0.745 -9.944 1.00 65.10 C +ATOM 298 C PRO A 44 2.830 0.004 -8.642 1.00 63.28 C +ATOM 299 O PRO A 44 3.693 -0.621 -8.030 1.00 61.48 O +ATOM 300 CB PRO A 44 3.065 -0.166 -11.172 1.00 64.76 C +ATOM 301 CG PRO A 44 4.501 -0.640 -11.369 1.00 63.36 C +ATOM 302 CD PRO A 44 5.329 0.571 -10.933 1.00 65.50 C +ATOM 303 N ALA A 45 1.550 0.060 -8.227 1.00 67.87 N +ATOM 304 CA ALA A 45 1.089 -0.702 -7.071 1.00 69.81 C +ATOM 305 C ALA A 45 1.314 -2.210 -7.286 1.00 68.76 C +ATOM 306 O ALA A 45 1.097 -2.725 -8.390 1.00 65.51 O +ATOM 307 CB ALA A 45 -0.387 -0.385 -6.801 1.00 67.56 C +ATOM 308 N GLY A 46 1.712 -2.918 -6.221 1.00 61.19 N +ATOM 309 CA GLY A 46 1.869 -4.364 -6.263 1.00 62.86 C +ATOM 310 C GLY A 46 0.559 -5.081 -6.632 1.00 63.82 C +ATOM 311 O GLY A 46 -0.533 -4.562 -6.377 1.00 61.79 O +ATOM 312 N PRO A 47 0.642 -6.283 -7.245 1.00 62.46 N +ATOM 313 CA PRO A 47 -0.544 -7.050 -7.623 1.00 66.45 C +ATOM 314 C PRO A 47 -1.396 -7.372 -6.387 1.00 65.05 C +ATOM 315 O PRO A 47 -0.883 -7.622 -5.297 1.00 63.06 O +ATOM 316 CB PRO A 47 -0.017 -8.309 -8.320 1.00 65.64 C +ATOM 317 CG PRO A 47 1.380 -8.486 -7.731 1.00 64.05 C +ATOM 318 CD PRO A 47 1.847 -7.053 -7.505 1.00 66.84 C +ATOM 319 N ARG A 48 -2.721 -7.384 -6.570 1.00 66.58 N +ATOM 320 CA ARG A 48 -3.643 -7.764 -5.508 1.00 70.07 C +ATOM 321 C ARG A 48 -3.398 -9.216 -5.105 1.00 68.09 C +ATOM 322 O ARG A 48 -3.281 -10.074 -5.972 1.00 63.77 O +ATOM 323 CB ARG A 48 -5.078 -7.523 -5.985 1.00 67.16 C +ATOM 324 CG ARG A 48 -6.109 -7.722 -4.867 1.00 62.20 C +ATOM 325 CD ARG A 48 -7.504 -7.389 -5.384 1.00 61.87 C +ATOM 326 NE ARG A 48 -8.524 -7.561 -4.338 1.00 58.46 N +ATOM 327 CZ ARG A 48 -9.805 -7.265 -4.438 1.00 51.84 C +ATOM 328 NH1 ARG A 48 -10.304 -6.773 -5.537 1.00 51.79 N +ATOM 329 NH2 ARG A 48 -10.601 -7.459 -3.438 1.00 49.88 N +ATOM 330 N GLY A 49 -3.386 -9.486 -3.786 1.00 61.78 N +ATOM 331 CA GLY A 49 -3.281 -10.846 -3.266 1.00 63.08 C +ATOM 332 C GLY A 49 -4.383 -11.762 -3.820 1.00 64.14 C +ATOM 333 O GLY A 49 -5.501 -11.310 -4.085 1.00 61.32 O +ATOM 334 N LEU A 50 -4.059 -13.043 -4.021 1.00 62.14 N +ATOM 335 CA LEU A 50 -5.004 -14.038 -4.506 1.00 66.19 C +ATOM 336 C LEU A 50 -6.177 -14.174 -3.521 1.00 65.54 C +ATOM 337 O LEU A 50 -6.001 -14.099 -2.310 1.00 63.33 O +ATOM 338 CB LEU A 50 -4.319 -15.385 -4.754 1.00 64.25 C +ATOM 339 CG LEU A 50 -3.248 -15.370 -5.866 1.00 60.56 C +ATOM 340 CD1 LEU A 50 -2.572 -16.738 -5.964 1.00 58.85 C +ATOM 341 CD2 LEU A 50 -3.834 -15.028 -7.234 1.00 57.15 C +ATOM 342 N GLN A 51 -7.388 -14.377 -4.060 1.00 69.30 N +ATOM 343 CA GLN A 51 -8.553 -14.634 -3.230 1.00 72.00 C +ATOM 344 C GLN A 51 -8.372 -15.978 -2.518 1.00 70.16 C +ATOM 345 O GLN A 51 -8.019 -16.959 -3.163 1.00 66.29 O +ATOM 346 CB GLN A 51 -9.810 -14.591 -4.113 1.00 69.02 C +ATOM 347 CG GLN A 51 -11.097 -14.766 -3.292 1.00 64.37 C +ATOM 348 CD GLN A 51 -12.373 -14.591 -4.110 1.00 61.55 C +ATOM 349 OE1 GLN A 51 -12.391 -14.222 -5.275 1.00 59.53 O +ATOM 350 NE2 GLN A 51 -13.519 -14.826 -3.520 1.00 55.52 N +ATOM 351 N GLY A 52 -8.647 -16.015 -1.201 1.00 61.12 N +ATOM 352 CA GLY A 52 -8.619 -17.260 -0.433 1.00 62.42 C +ATOM 353 C GLY A 52 -9.554 -18.318 -1.028 1.00 63.62 C +ATOM 354 O GLY A 52 -10.604 -17.986 -1.590 1.00 61.04 O +ATOM 355 N GLU A 53 -9.168 -19.602 -0.923 1.00 58.44 N +ATOM 356 CA GLU A 53 -9.962 -20.718 -1.427 1.00 63.22 C +ATOM 357 C GLU A 53 -11.343 -20.747 -0.765 1.00 62.51 C +ATOM 358 O GLU A 53 -11.545 -20.334 0.384 1.00 61.37 O +ATOM 359 CB GLU A 53 -9.231 -22.054 -1.254 1.00 61.48 C +ATOM 360 CG GLU A 53 -7.941 -22.103 -2.112 1.00 57.26 C +ATOM 361 CD GLU A 53 -7.288 -23.497 -2.133 1.00 54.51 C +ATOM 362 OE1 GLU A 53 -6.474 -23.704 -3.065 1.00 52.15 O +ATOM 363 OE2 GLU A 53 -7.611 -24.310 -1.251 1.00 51.11 O +ATOM 364 N ARG A 54 -12.350 -21.211 -1.538 1.00 66.55 N +ATOM 365 CA ARG A 54 -13.709 -21.341 -1.010 1.00 70.29 C +ATOM 366 C ARG A 54 -13.714 -22.439 0.051 1.00 68.16 C +ATOM 367 O ARG A 54 -13.277 -23.538 -0.236 1.00 63.98 O +ATOM 368 CB ARG A 54 -14.674 -21.637 -2.166 1.00 67.00 C +ATOM 369 CG ARG A 54 -16.137 -21.697 -1.702 1.00 61.95 C +ATOM 370 CD ARG A 54 -17.032 -21.950 -2.905 1.00 62.31 C +ATOM 371 NE ARG A 54 -18.447 -22.020 -2.526 1.00 59.26 N +ATOM 372 CZ ARG A 54 -19.464 -22.204 -3.346 1.00 54.11 C +ATOM 373 NH1 ARG A 54 -19.289 -22.327 -4.641 1.00 53.77 N +ATOM 374 NH2 ARG A 54 -20.669 -22.275 -2.896 1.00 52.19 N +ATOM 375 N GLY A 55 -14.283 -22.150 1.234 1.00 60.76 N +ATOM 376 CA GLY A 55 -14.444 -23.157 2.279 1.00 61.75 C +ATOM 377 C GLY A 55 -15.210 -24.383 1.777 1.00 62.61 C +ATOM 378 O GLY A 55 -16.125 -24.259 0.957 1.00 60.32 O +ATOM 379 N GLU A 56 -14.831 -25.583 2.258 1.00 57.27 N +ATOM 380 CA GLU A 56 -15.466 -26.845 1.893 1.00 61.67 C +ATOM 381 C GLU A 56 -16.965 -26.834 2.244 1.00 60.22 C +ATOM 382 O GLU A 56 -17.421 -26.206 3.205 1.00 58.99 O +ATOM 383 CB GLU A 56 -14.764 -28.039 2.551 1.00 60.34 C +ATOM 384 CG GLU A 56 -13.321 -28.236 2.041 1.00 56.31 C +ATOM 385 CD GLU A 56 -12.684 -29.540 2.540 1.00 54.22 C +ATOM 386 OE1 GLU A 56 -11.688 -29.957 1.908 1.00 51.99 O +ATOM 387 OE2 GLU A 56 -13.203 -30.113 3.516 1.00 50.92 O +ATOM 388 N GLN A 57 -17.763 -27.546 1.417 1.00 66.55 N +ATOM 389 CA GLN A 57 -19.187 -27.693 1.684 1.00 69.47 C +ATOM 390 C GLN A 57 -19.382 -28.522 2.956 1.00 68.16 C +ATOM 391 O GLN A 57 -18.778 -29.572 3.110 1.00 63.82 O +ATOM 392 CB GLN A 57 -19.876 -28.314 0.460 1.00 67.34 C +ATOM 393 CG GLN A 57 -21.394 -28.404 0.627 1.00 63.28 C +ATOM 394 CD GLN A 57 -22.120 -28.891 -0.621 1.00 61.62 C +ATOM 395 OE1 GLN A 57 -21.577 -29.055 -1.702 1.00 60.09 O +ATOM 396 NE2 GLN A 57 -23.411 -29.106 -0.535 1.00 56.32 N +ATOM 397 N GLY A 58 -20.258 -28.053 3.855 1.00 60.78 N +ATOM 398 CA GLY A 58 -20.582 -28.792 5.065 1.00 61.39 C +ATOM 399 C GLY A 58 -21.127 -30.196 4.758 1.00 61.54 C +ATOM 400 O GLY A 58 -21.747 -30.398 3.715 1.00 59.46 O +ATOM 401 N PRO A 59 -20.923 -31.196 5.657 1.00 60.48 N +ATOM 402 CA PRO A 59 -21.364 -32.567 5.445 1.00 64.61 C +ATOM 403 C PRO A 59 -22.886 -32.629 5.269 1.00 62.80 C +ATOM 404 O PRO A 59 -23.642 -31.882 5.903 1.00 60.84 O +ATOM 405 CB PRO A 59 -20.878 -33.359 6.662 1.00 64.05 C +ATOM 406 CG PRO A 59 -20.763 -32.302 7.752 1.00 62.65 C +ATOM 407 CD PRO A 59 -20.327 -31.055 6.982 1.00 65.44 C +ATOM 408 N THR A 60 -23.359 -33.574 4.415 1.00 66.98 N +ATOM 409 CA THR A 60 -24.791 -33.842 4.242 1.00 68.20 C +ATOM 410 C THR A 60 -25.382 -34.332 5.566 1.00 65.68 C +ATOM 411 O THR A 60 -24.795 -35.181 6.237 1.00 61.65 O +ATOM 412 CB THR A 60 -25.021 -34.887 3.141 1.00 66.61 C +ATOM 413 OG1 THR A 60 -24.371 -34.483 1.953 1.00 62.34 O +ATOM 414 CG2 THR A 60 -26.493 -35.077 2.795 1.00 62.72 C +ATOM 415 N GLY A 61 -26.566 -33.823 5.938 1.00 57.47 N +ATOM 416 CA GLY A 61 -27.274 -34.272 7.137 1.00 58.75 C +ATOM 417 C GLY A 61 -27.564 -35.774 7.104 1.00 58.95 C +ATOM 418 O GLY A 61 -27.817 -36.358 6.044 1.00 57.14 O +ATOM 419 N LEU A 62 -27.548 -36.429 8.284 1.00 59.65 N +ATOM 420 CA LEU A 62 -27.824 -37.857 8.416 1.00 64.46 C +ATOM 421 C LEU A 62 -29.269 -38.175 7.977 1.00 62.53 C +ATOM 422 O LEU A 62 -30.186 -37.394 8.233 1.00 61.00 O +ATOM 423 CB LEU A 62 -27.570 -38.328 9.861 1.00 62.96 C +ATOM 424 CG LEU A 62 -26.100 -38.242 10.321 1.00 60.18 C +ATOM 425 CD1 LEU A 62 -25.998 -38.618 11.805 1.00 58.30 C +ATOM 426 CD2 LEU A 62 -25.186 -39.180 9.532 1.00 57.17 C +ATOM 427 N ALA A 63 -29.480 -39.353 7.343 1.00 67.62 N +ATOM 428 CA ALA A 63 -30.815 -39.824 6.982 1.00 69.88 C +ATOM 429 C ALA A 63 -31.670 -40.036 8.243 1.00 68.19 C +ATOM 430 O ALA A 63 -31.182 -40.541 9.256 1.00 64.35 O +ATOM 431 CB ALA A 63 -30.691 -41.111 6.155 1.00 67.03 C +ATOM 432 N GLY A 64 -32.977 -39.697 8.164 1.00 57.86 N +ATOM 433 CA GLY A 64 -33.930 -39.939 9.240 1.00 59.59 C +ATOM 434 C GLY A 64 -34.077 -41.436 9.532 1.00 60.01 C +ATOM 435 O GLY A 64 -33.934 -42.273 8.648 1.00 58.15 O +ATOM 436 N LYS A 65 -34.373 -41.785 10.804 1.00 59.93 N +ATOM 437 CA LYS A 65 -34.583 -43.174 11.231 1.00 65.78 C +ATOM 438 C LYS A 65 -35.803 -43.764 10.515 1.00 62.24 C +ATOM 439 O LYS A 65 -36.797 -43.077 10.305 1.00 62.22 O +ATOM 440 CB LYS A 65 -34.735 -43.261 12.755 1.00 64.19 C +ATOM 441 CG LYS A 65 -33.450 -42.885 13.506 1.00 60.37 C +ATOM 442 CD LYS A 65 -33.653 -43.050 15.017 1.00 59.57 C +ATOM 443 CE LYS A 65 -32.387 -42.660 15.782 1.00 55.55 C +ATOM 444 NZ LYS A 65 -32.595 -42.778 17.243 1.00 49.57 N +ATOM 445 N ALA A 66 -35.750 -45.075 10.169 1.00 68.20 N +ATOM 446 CA ALA A 66 -36.901 -45.791 9.639 1.00 69.82 C +ATOM 447 C ALA A 66 -38.024 -45.843 10.691 1.00 68.33 C +ATOM 448 O ALA A 66 -37.750 -46.003 11.877 1.00 64.35 O +ATOM 449 CB ALA A 66 -36.465 -47.190 9.196 1.00 67.12 C +ATOM 450 N GLY A 67 -39.314 -45.748 10.243 1.00 61.95 N +ATOM 451 CA GLY A 67 -40.473 -45.900 11.119 1.00 63.93 C +ATOM 452 C GLY A 67 -40.560 -47.302 11.725 1.00 65.25 C +ATOM 453 O GLY A 67 -40.136 -48.279 11.111 1.00 63.30 O +ATOM 454 N GLU A 68 -41.143 -47.424 12.937 1.00 54.39 N +ATOM 455 CA GLU A 68 -41.337 -48.699 13.622 1.00 59.62 C +ATOM 456 C GLU A 68 -42.330 -49.594 12.865 1.00 56.93 C +ATOM 457 O GLU A 68 -43.246 -49.129 12.192 1.00 56.67 O +ATOM 458 CB GLU A 68 -41.777 -48.479 15.083 1.00 59.50 C +ATOM 459 CG GLU A 68 -40.669 -47.798 15.913 1.00 55.54 C +ATOM 460 CD GLU A 68 -41.008 -47.689 17.414 1.00 53.51 C +ATOM 461 OE1 GLU A 68 -40.052 -47.460 18.186 1.00 51.67 O +ATOM 462 OE2 GLU A 68 -42.192 -47.828 17.769 1.00 51.41 O +ATOM 463 N ALA A 69 -42.138 -50.948 12.949 1.00 67.38 N +ATOM 464 CA ALA A 69 -43.056 -51.913 12.351 1.00 69.40 C +ATOM 465 C ALA A 69 -44.422 -51.863 13.049 1.00 68.38 C +ATOM 466 O ALA A 69 -44.500 -51.746 14.272 1.00 64.64 O +ATOM 467 CB ALA A 69 -42.433 -53.317 12.422 1.00 66.78 C +ATOM 468 N GLY A 70 -45.522 -52.033 12.278 1.00 62.95 N +ATOM 469 CA GLY A 70 -46.874 -52.088 12.829 1.00 64.53 C +ATOM 470 C GLY A 70 -47.057 -53.259 13.799 1.00 65.29 C +ATOM 471 O GLY A 70 -46.476 -54.327 13.624 1.00 63.13 O +ATOM 472 N ALA A 71 -47.924 -53.081 14.829 1.00 60.48 N +ATOM 473 CA ALA A 71 -48.239 -54.106 15.815 1.00 65.21 C +ATOM 474 C ALA A 71 -48.876 -55.336 15.148 1.00 64.36 C +ATOM 475 O ALA A 71 -49.627 -55.230 14.180 1.00 63.17 O +ATOM 476 CB ALA A 71 -49.133 -53.503 16.903 1.00 63.05 C +ATOM 477 N LYS A 72 -48.590 -56.557 15.679 1.00 63.54 N +ATOM 478 CA LYS A 72 -49.211 -57.799 15.219 1.00 69.12 C +ATOM 479 C LYS A 72 -50.712 -57.764 15.514 1.00 66.84 C +ATOM 480 O LYS A 72 -51.102 -57.420 16.623 1.00 64.38 O +ATOM 481 CB LYS A 72 -48.511 -58.984 15.904 1.00 66.13 C +ATOM 482 CG LYS A 72 -49.012 -60.340 15.400 1.00 62.67 C +ATOM 483 CD LYS A 72 -48.239 -61.463 16.086 1.00 62.24 C +ATOM 484 CE LYS A 72 -48.735 -62.826 15.617 1.00 59.59 C +ATOM 485 NZ LYS A 72 -48.010 -63.924 16.299 1.00 53.83 N +ATOM 486 N GLY A 73 -51.563 -58.195 14.562 1.00 61.68 N +ATOM 487 CA GLY A 73 -53.007 -58.282 14.750 1.00 63.24 C +ATOM 488 C GLY A 73 -53.391 -59.210 15.903 1.00 64.28 C +ATOM 489 O GLY A 73 -52.719 -60.214 16.159 1.00 62.33 O +ATOM 490 N GLU A 74 -54.533 -58.918 16.595 1.00 53.48 N +ATOM 491 CA GLU A 74 -55.058 -59.719 17.694 1.00 58.33 C +ATOM 492 C GLU A 74 -55.534 -61.092 17.211 1.00 56.39 C +ATOM 493 O GLU A 74 -55.953 -61.287 16.065 1.00 55.50 O +ATOM 494 CB GLU A 74 -56.177 -58.967 18.432 1.00 57.60 C +ATOM 495 CG GLU A 74 -55.663 -57.675 19.112 1.00 54.28 C +ATOM 496 CD GLU A 74 -56.722 -56.994 19.983 1.00 51.77 C +ATOM 497 OE1 GLU A 74 -56.315 -56.148 20.818 1.00 50.46 O +ATOM 498 OE2 GLU A 74 -57.920 -57.318 19.821 1.00 49.64 O +ATOM 499 N THR A 75 -55.455 -62.116 18.083 1.00 65.56 N +ATOM 500 CA THR A 75 -55.982 -63.459 17.799 1.00 66.52 C +ATOM 501 C THR A 75 -57.509 -63.412 17.777 1.00 63.31 C +ATOM 502 O THR A 75 -58.106 -62.842 18.676 1.00 60.26 O +ATOM 503 CB THR A 75 -55.485 -64.475 18.837 1.00 65.62 C +ATOM 504 OG1 THR A 75 -54.069 -64.474 18.862 1.00 61.96 O +ATOM 505 CG2 THR A 75 -55.910 -65.909 18.531 1.00 61.33 C +ATOM 506 N GLY A 76 -58.141 -64.041 16.761 1.00 58.15 N +ATOM 507 CA GLY A 76 -59.605 -64.113 16.671 1.00 58.83 C +ATOM 508 C GLY A 76 -60.241 -64.785 17.901 1.00 58.81 C +ATOM 509 O GLY A 76 -59.621 -65.637 18.534 1.00 57.58 O +ATOM 510 N PRO A 77 -61.533 -64.468 18.261 1.00 59.39 N +ATOM 511 CA PRO A 77 -62.236 -65.038 19.409 1.00 62.42 C +ATOM 512 C PRO A 77 -62.439 -66.549 19.231 1.00 59.76 C +ATOM 513 O PRO A 77 -62.500 -67.072 18.119 1.00 58.56 O +ATOM 514 CB PRO A 77 -63.565 -64.276 19.501 1.00 62.36 C +ATOM 515 CG PRO A 77 -63.808 -63.822 18.072 1.00 61.10 C +ATOM 516 CD PRO A 77 -62.395 -63.548 17.539 1.00 64.19 C +ATOM 517 N ALA A 78 -62.601 -67.297 20.358 1.00 61.69 N +ATOM 518 CA ALA A 78 -62.934 -68.716 20.319 1.00 63.62 C +ATOM 519 C ALA A 78 -64.331 -68.929 19.716 1.00 62.15 C +ATOM 520 O ALA A 78 -65.251 -68.163 19.982 1.00 59.46 O +ATOM 521 CB ALA A 78 -62.827 -69.309 21.730 1.00 62.12 C +ATOM 522 N GLY A 79 -64.502 -70.020 18.941 1.00 56.97 N +ATOM 523 CA GLY A 79 -65.801 -70.382 18.377 1.00 58.39 C +ATOM 524 C GLY A 79 -66.846 -70.690 19.453 1.00 59.51 C +ATOM 525 O GLY A 79 -66.493 -71.093 20.565 1.00 58.42 O +ATOM 526 N PRO A 80 -68.181 -70.564 19.158 1.00 60.35 N +ATOM 527 CA PRO A 80 -69.250 -70.834 20.110 1.00 63.55 C +ATOM 528 C PRO A 80 -69.263 -72.312 20.519 1.00 62.39 C +ATOM 529 O PRO A 80 -68.875 -73.206 19.765 1.00 61.20 O +ATOM 530 CB PRO A 80 -70.546 -70.410 19.396 1.00 62.78 C +ATOM 531 CG PRO A 80 -70.203 -70.566 17.920 1.00 60.37 C +ATOM 532 CD PRO A 80 -68.727 -70.190 17.857 1.00 62.28 C +ATOM 533 N GLN A 81 -69.786 -72.617 21.737 1.00 60.44 N +ATOM 534 CA GLN A 81 -69.982 -73.997 22.193 1.00 64.12 C +ATOM 535 C GLN A 81 -71.025 -74.705 21.319 1.00 62.98 C +ATOM 536 O GLN A 81 -72.073 -74.134 21.015 1.00 60.50 O +ATOM 537 CB GLN A 81 -70.388 -73.983 23.672 1.00 62.58 C +ATOM 538 CG GLN A 81 -70.467 -75.399 24.272 1.00 59.55 C +ATOM 539 CD GLN A 81 -70.793 -75.396 25.767 1.00 57.32 C +ATOM 540 OE1 GLN A 81 -70.900 -74.395 26.426 1.00 57.73 O +ATOM 541 NE2 GLN A 81 -70.938 -76.562 26.359 1.00 53.44 N +ATOM 542 N GLY A 82 -70.766 -75.953 20.936 1.00 60.78 N +ATOM 543 CA GLY A 82 -71.708 -76.758 20.154 1.00 61.95 C +ATOM 544 C GLY A 82 -73.053 -76.954 20.859 1.00 63.62 C +ATOM 545 O GLY A 82 -73.122 -76.926 22.093 1.00 62.17 O +ATOM 546 N PRO A 83 -74.180 -77.183 20.119 1.00 63.79 N +ATOM 547 CA PRO A 83 -75.504 -77.378 20.695 1.00 66.69 C +ATOM 548 C PRO A 83 -75.531 -78.623 21.594 1.00 66.25 C +ATOM 549 O PRO A 83 -74.797 -79.597 21.386 1.00 64.79 O +ATOM 550 CB PRO A 83 -76.462 -77.500 19.493 1.00 64.98 C +ATOM 551 CG PRO A 83 -75.561 -78.013 18.372 1.00 62.01 C +ATOM 552 CD PRO A 83 -74.217 -77.342 18.661 1.00 63.81 C +ATOM 553 N ARG A 84 -76.400 -78.605 22.601 1.00 64.25 N +ATOM 554 CA ARG A 84 -76.625 -79.779 23.450 1.00 68.79 C +ATOM 555 C ARG A 84 -77.221 -80.902 22.613 1.00 67.87 C +ATOM 556 O ARG A 84 -78.144 -80.672 21.853 1.00 64.89 O +ATOM 557 CB ARG A 84 -77.535 -79.388 24.620 1.00 66.02 C +ATOM 558 CG ARG A 84 -77.732 -80.538 25.611 1.00 62.23 C +ATOM 559 CD ARG A 84 -78.583 -80.083 26.795 1.00 62.26 C +ATOM 560 NE ARG A 84 -78.783 -81.159 27.769 1.00 60.14 N +ATOM 561 CZ ARG A 84 -79.391 -81.059 28.926 1.00 54.41 C +ATOM 562 NH1 ARG A 84 -79.920 -79.929 29.338 1.00 54.44 N +ATOM 563 NH2 ARG A 84 -79.503 -82.092 29.716 1.00 53.51 N +ATOM 564 N GLY A 85 -76.750 -82.144 22.784 1.00 60.68 N +ATOM 565 CA GLY A 85 -77.291 -83.320 22.107 1.00 61.78 C +ATOM 566 C GLY A 85 -78.779 -83.522 22.397 1.00 64.31 C +ATOM 567 O GLY A 85 -79.259 -83.226 23.493 1.00 62.51 O +ATOM 568 N GLU A 86 -79.532 -84.048 21.418 1.00 57.58 N +ATOM 569 CA GLU A 86 -80.949 -84.336 21.554 1.00 63.17 C +ATOM 570 C GLU A 86 -81.213 -85.380 22.658 1.00 61.91 C +ATOM 571 O GLU A 86 -80.388 -86.264 22.930 1.00 60.82 O +ATOM 572 CB GLU A 86 -81.552 -84.800 20.222 1.00 61.24 C +ATOM 573 CG GLU A 86 -81.493 -83.702 19.145 1.00 56.72 C +ATOM 574 CD GLU A 86 -82.225 -84.085 17.837 1.00 53.63 C +ATOM 575 OE1 GLU A 86 -82.508 -83.151 17.042 1.00 51.41 O +ATOM 576 OE2 GLU A 86 -82.511 -85.291 17.652 1.00 50.14 O +ATOM 577 N GLN A 87 -82.371 -85.261 23.326 1.00 62.65 N +ATOM 578 CA GLN A 87 -82.771 -86.258 24.321 1.00 65.78 C +ATOM 579 C GLN A 87 -83.014 -87.604 23.636 1.00 63.45 C +ATOM 580 O GLN A 87 -83.683 -87.674 22.611 1.00 60.57 O +ATOM 581 CB GLN A 87 -84.016 -85.744 25.062 1.00 64.97 C +ATOM 582 CG GLN A 87 -84.429 -86.669 26.220 1.00 62.67 C +ATOM 583 CD GLN A 87 -85.594 -86.130 27.044 1.00 61.01 C +ATOM 584 OE1 GLN A 87 -86.069 -85.028 26.894 1.00 62.05 O +ATOM 585 NE2 GLN A 87 -86.096 -86.907 27.981 1.00 57.90 N +ATOM 586 N GLY A 88 -82.479 -88.660 24.208 1.00 60.79 N +ATOM 587 CA GLY A 88 -82.713 -90.003 23.695 1.00 61.38 C +ATOM 588 C GLY A 88 -84.203 -90.360 23.657 1.00 62.71 C +ATOM 589 O GLY A 88 -84.976 -89.882 24.493 1.00 60.81 O +ATOM 590 N PRO A 89 -84.668 -91.223 22.713 1.00 61.49 N +ATOM 591 CA PRO A 89 -86.071 -91.612 22.590 1.00 65.09 C +ATOM 592 C PRO A 89 -86.555 -92.301 23.871 1.00 63.27 C +ATOM 593 O PRO A 89 -85.808 -92.999 24.561 1.00 61.28 O +ATOM 594 CB PRO A 89 -86.137 -92.531 21.363 1.00 64.31 C +ATOM 595 CG PRO A 89 -84.726 -93.106 21.261 1.00 61.90 C +ATOM 596 CD PRO A 89 -83.841 -91.949 21.742 1.00 64.12 C +ATOM 597 N GLN A 90 -87.825 -92.095 24.176 1.00 64.02 N +ATOM 598 CA GLN A 90 -88.444 -92.787 25.307 1.00 67.04 C +ATOM 599 C GLN A 90 -88.419 -94.300 25.077 1.00 64.66 C +ATOM 600 O GLN A 90 -88.687 -94.780 23.978 1.00 61.66 O +ATOM 601 CB GLN A 90 -89.871 -92.255 25.487 1.00 65.86 C +ATOM 602 CG GLN A 90 -90.550 -92.803 26.758 1.00 62.09 C +ATOM 603 CD GLN A 90 -91.928 -92.187 27.020 1.00 60.44 C +ATOM 604 OE1 GLN A 90 -92.419 -91.319 26.328 1.00 59.42 O +ATOM 605 NE2 GLN A 90 -92.613 -92.626 28.057 1.00 54.86 N +ATOM 606 N GLY A 91 -88.091 -95.034 26.113 1.00 59.23 N +ATOM 607 CA GLY A 91 -88.132 -96.489 26.047 1.00 60.11 C +ATOM 608 C GLY A 91 -89.517 -97.002 25.646 1.00 61.03 C +ATOM 609 O GLY A 91 -90.538 -96.425 26.032 1.00 58.58 O +ATOM 610 N LEU A 92 -89.585 -98.060 24.877 1.00 59.33 N +ATOM 611 CA LEU A 92 -90.841 -98.673 24.468 1.00 63.45 C +ATOM 612 C LEU A 92 -91.626 -99.163 25.699 1.00 62.20 C +ATOM 613 O LEU A 92 -91.016 -99.618 26.673 1.00 60.70 O +ATOM 614 CB LEU A 92 -90.583 -99.829 23.486 1.00 62.11 C +ATOM 615 CG LEU A 92 -89.963 -99.408 22.136 1.00 59.11 C +ATOM 616 CD1 LEU A 92 -89.637-100.638 21.301 1.00 57.19 C +ATOM 617 CD2 LEU A 92 -90.906 -98.508 21.330 1.00 55.69 C +ATOM 618 N PRO A 93 -92.945 -99.113 25.638 1.00 64.40 N +ATOM 619 CA PRO A 93 -93.755 -99.690 26.705 1.00 67.03 C +ATOM 620 C PRO A 93 -93.383-101.161 26.940 1.00 64.37 C +ATOM 621 O PRO A 93 -93.143-101.907 25.986 1.00 62.38 O +ATOM 622 CB PRO A 93 -95.217 -99.556 26.250 1.00 67.18 C +ATOM 623 CG PRO A 93 -95.195 -98.397 25.264 1.00 64.13 C +ATOM 624 CD PRO A 93 -93.828 -98.502 24.620 1.00 67.74 C +ATOM 625 N GLY A 94 -93.365-101.557 28.199 1.00 59.13 N +ATOM 626 CA GLY A 94 -93.166-102.948 28.553 1.00 60.47 C +ATOM 627 C GLY A 94 -94.195-103.849 27.866 1.00 61.24 C +ATOM 628 O GLY A 94 -95.359-103.473 27.697 1.00 59.30 O +ATOM 629 N ALA A 95 -93.783-105.035 27.467 1.00 57.31 N +ATOM 630 CA ALA A 95 -94.687-106.003 26.855 1.00 61.60 C +ATOM 631 C ALA A 95 -95.839-106.334 27.818 1.00 60.99 C +ATOM 632 O ALA A 95 -95.658-106.451 29.031 1.00 59.10 O +ATOM 633 CB ALA A 95 -93.885-107.257 26.457 1.00 59.63 C +ATOM 634 N ARG A 96 -96.996-106.443 27.251 1.00 58.98 N +ATOM 635 CA ARG A 96 -98.165-106.842 28.038 1.00 63.05 C +ATOM 636 C ARG A 96 -97.926-108.224 28.636 1.00 60.31 C +ATOM 637 O ARG A 96 -97.510-109.128 27.928 1.00 58.02 O +ATOM 638 CB ARG A 96 -99.413-106.818 27.152 1.00 61.78 C +ATOM 639 CG ARG A 96 -100.690-107.063 27.957 1.00 56.03 C +ATOM 640 CD ARG A 96 -101.919-106.915 27.060 1.00 56.38 C +ATOM 641 NE ARG A 96 -103.160-107.044 27.826 1.00 54.75 N +ATOM 642 CZ ARG A 96 -104.385-106.875 27.388 1.00 48.71 C +ATOM 643 NH1 ARG A 96 -104.622-106.627 26.119 1.00 49.53 N +ATOM 644 NH2 ARG A 96 -105.400-106.954 28.200 1.00 48.26 N +ATOM 645 N GLY A 97 -98.225-108.358 29.921 1.00 60.18 N +ATOM 646 CA GLY A 97 -98.114-109.640 30.605 1.00 61.49 C +ATOM 647 C GLY A 97 -98.875-110.746 29.863 1.00 62.40 C +ATOM 648 O GLY A 97 -99.972-110.527 29.340 1.00 60.27 O +ATOM 649 N GLU A 98 -98.280-111.865 29.780 1.00 49.20 N +ATOM 650 CA GLU A 98 -98.895-113.011 29.129 1.00 52.70 C +ATOM 651 C GLU A 98 -100.223-113.389 29.800 1.00 51.14 C +ATOM 652 O GLU A 98 -100.403-113.266 31.024 1.00 50.72 O +ATOM 653 CB GLU A 98 -97.941-114.222 29.099 1.00 52.70 C +ATOM 654 CG GLU A 98 -96.685-113.947 28.249 1.00 49.11 C +ATOM 655 CD GLU A 98 -95.811-115.182 28.028 1.00 46.97 C +ATOM 656 OE1 GLU A 98 -94.992-115.153 27.069 1.00 45.50 O +ATOM 657 OE2 GLU A 98 -95.967-116.158 28.798 1.00 44.95 O +ATOM 658 N ARG A 99 -101.132-113.787 28.976 1.00 56.99 N +ATOM 659 CA ARG A 99 -102.414-114.260 29.498 1.00 58.48 C +ATOM 660 C ARG A 99 -102.161-115.493 30.346 1.00 54.68 C +ATOM 661 O ARG A 99 -101.573-116.457 29.876 1.00 53.21 O +ATOM 662 CB ARG A 99 -103.397-114.527 28.350 1.00 58.71 C +ATOM 663 CG ARG A 99 -104.746-115.036 28.839 1.00 53.48 C +ATOM 664 CD ARG A 99 -105.728-115.321 27.686 1.00 54.35 C +ATOM 665 NE ARG A 99 -106.413-114.105 27.207 1.00 52.87 N +ATOM 666 CZ ARG A 99 -107.300-114.031 26.238 1.00 46.92 C +ATOM 667 NH1 ARG A 99 -107.633-115.073 25.532 1.00 48.81 N +ATOM 668 NH2 ARG A 99 -107.864-112.893 25.933 1.00 46.84 N +ATOM 669 N GLY A 100 -102.676-115.496 31.575 1.00 56.25 N +ATOM 670 CA GLY A 100 -102.610-116.656 32.453 1.00 56.43 C +ATOM 671 C GLY A 100 -103.224-117.903 31.796 1.00 56.03 C +ATOM 672 O GLY A 100 -104.237-117.807 31.099 1.00 54.11 O +ATOM 673 N PHE A 101 -102.630-119.039 32.008 1.00 52.07 N +ATOM 674 CA PHE A 101 -103.130-120.313 31.493 1.00 55.14 C +ATOM 675 C PHE A 101 -104.542-120.584 32.016 1.00 53.07 C +ATOM 676 O PHE A 101 -104.864-120.237 33.156 1.00 52.43 O +ATOM 677 CB PHE A 101 -102.156-121.444 31.861 1.00 54.52 C +ATOM 678 CG PHE A 101 -100.817-121.364 31.156 1.00 51.97 C +ATOM 679 CD1 PHE A 101 -100.667-121.851 29.837 1.00 50.15 C +ATOM 680 CD2 PHE A 101 -99.710-120.772 31.796 1.00 48.29 C +ATOM 681 CE1 PHE A 101 -99.433-121.766 29.172 1.00 44.49 C +ATOM 682 CE2 PHE A 101 -98.472-120.674 31.122 1.00 46.55 C +ATOM 683 CZ PHE A 101 -98.330-121.168 29.805 1.00 46.55 C +ATOM 684 N PRO A 102 -105.375-121.188 31.179 1.00 55.50 N +ATOM 685 CA PRO A 102 -106.697-121.571 31.636 1.00 56.86 C +ATOM 686 C PRO A 102 -106.581-122.458 32.886 1.00 54.36 C +ATOM 687 O PRO A 102 -105.905-123.486 32.854 1.00 53.34 O +ATOM 688 CB PRO A 102 -107.353-122.311 30.464 1.00 57.05 C +ATOM 689 CG PRO A 102 -106.575-121.861 29.245 1.00 53.86 C +ATOM 690 CD PRO A 102 -105.186-121.583 29.781 1.00 57.06 C +ATOM 691 N GLY A 103 -107.241-122.043 33.955 1.00 49.98 N +ATOM 692 CA GLY A 103 -107.335-122.848 35.164 1.00 51.56 C +ATOM 693 C GLY A 103 -108.153-124.118 34.913 1.00 51.81 C +ATOM 694 O GLY A 103 -109.123-124.106 34.146 1.00 50.18 O +ATOM 695 N GLU A 104 -107.788-125.194 35.544 1.00 46.91 N +ATOM 696 CA GLU A 104 -108.590-126.400 35.570 1.00 51.14 C +ATOM 697 C GLU A 104 -109.983-126.113 36.135 1.00 50.41 C +ATOM 698 O GLU A 104 -110.183-125.262 37.007 1.00 49.68 O +ATOM 699 CB GLU A 104 -107.881-127.520 36.353 1.00 50.27 C +ATOM 700 CG GLU A 104 -106.649-128.051 35.608 1.00 44.92 C +ATOM 701 CD GLU A 104 -106.057-129.314 36.243 1.00 42.01 C +ATOM 702 OE1 GLU A 104 -105.405-130.088 35.505 1.00 39.42 O +ATOM 703 OE2 GLU A 104 -106.265-129.497 37.461 1.00 40.22 O +ATOM 704 N ARG A 105 -110.878-126.745 35.585 1.00 49.97 N +ATOM 705 CA ARG A 105 -112.315-126.543 35.755 1.00 53.00 C +ATOM 706 C ARG A 105 -112.731-126.410 37.223 1.00 51.48 C +ATOM 707 O ARG A 105 -112.935-127.419 37.868 1.00 50.07 O +ATOM 708 CB ARG A 105 -112.991-127.740 35.048 1.00 52.45 C +ATOM 709 CG ARG A 105 -114.395-127.474 34.566 1.00 45.97 C +ATOM 710 CD ARG A 105 -115.061-128.783 34.106 1.00 43.62 C +ATOM 711 NE ARG A 105 -115.142-128.862 32.648 1.00 40.08 N +ATOM 712 CZ ARG A 105 -115.657-129.875 31.952 1.00 36.80 C +ATOM 713 NH1 ARG A 105 -116.088-130.941 32.533 1.00 37.50 N +ATOM 714 NH2 ARG A 105 -115.731-129.828 30.649 1.00 36.01 N +ATOM 715 N ALA A 106 -112.837-125.149 37.753 1.00 48.80 N +ATOM 716 CA ALA A 106 -113.713-124.687 38.826 1.00 50.71 C +ATOM 717 C ALA A 106 -113.491-123.223 39.282 1.00 49.45 C +ATOM 718 O ALA A 106 -114.398-122.657 39.886 1.00 47.86 O +ATOM 719 CB ALA A 106 -113.658-125.596 40.046 1.00 49.42 C +ATOM 720 N VAL A 107 -112.398-122.594 39.032 1.00 46.91 N +ATOM 721 CA VAL A 107 -112.216-121.170 39.378 1.00 50.33 C +ATOM 722 C VAL A 107 -111.368-120.487 38.302 1.00 49.09 C +ATOM 723 O VAL A 107 -110.243-120.901 38.027 1.00 47.78 O +ATOM 724 CB VAL A 107 -111.572-120.976 40.764 1.00 49.49 C +ATOM 725 CG1 VAL A 107 -111.735-119.514 41.220 1.00 45.00 C +ATOM 726 CG2 VAL A 107 -112.157-121.846 41.864 1.00 45.64 C +ATOM 727 N GLN A 108 -111.947-119.493 37.694 1.00 49.72 N +ATOM 728 CA GLN A 108 -111.177-118.677 36.756 1.00 52.14 C +ATOM 729 C GLN A 108 -110.095-117.926 37.512 1.00 51.58 C +ATOM 730 O GLN A 108 -110.387-117.177 38.446 1.00 50.22 O +ATOM 731 CB GLN A 108 -112.146-117.734 36.012 1.00 51.46 C +ATOM 732 CG GLN A 108 -111.465-116.895 34.915 1.00 46.04 C +ATOM 733 CD GLN A 108 -112.461-116.069 34.092 1.00 43.68 C +ATOM 734 OE1 GLN A 108 -113.672-116.072 34.292 1.00 42.97 O +ATOM 735 NE2 GLN A 108 -111.998-115.321 33.108 1.00 40.92 N +ATOM 736 N GLY A 109 -108.881-118.140 37.190 1.00 49.89 N +ATOM 737 CA GLY A 109 -107.770-117.403 37.759 1.00 51.48 C +ATOM 738 C GLY A 109 -107.912-115.913 37.471 1.00 50.71 C +ATOM 739 O GLY A 109 -108.460-115.542 36.434 1.00 49.93 O +ATOM 740 N PRO A 110 -107.486-115.047 38.382 1.00 50.16 N +ATOM 741 CA PRO A 110 -107.521-113.608 38.167 1.00 53.59 C +ATOM 742 C PRO A 110 -106.729-113.242 36.908 1.00 51.42 C +ATOM 743 O PRO A 110 -105.759-113.926 36.569 1.00 51.89 O +ATOM 744 CB PRO A 110 -106.945-112.989 39.446 1.00 54.48 C +ATOM 745 CG PRO A 110 -106.045-114.080 39.988 1.00 53.28 C +ATOM 746 CD PRO A 110 -106.758-115.354 39.604 1.00 54.93 C +ATOM 747 N PRO A 111 -107.133-112.184 36.240 1.00 52.49 N +ATOM 748 CA PRO A 111 -106.346-111.686 35.132 1.00 55.16 C +ATOM 749 C PRO A 111 -104.897-111.465 35.564 1.00 52.47 C +ATOM 750 O PRO A 111 -104.638-110.997 36.681 1.00 52.78 O +ATOM 751 CB PRO A 111 -107.005-110.377 34.680 1.00 56.79 C +ATOM 752 CG PRO A 111 -108.434-110.498 35.182 1.00 53.78 C +ATOM 753 CD PRO A 111 -108.305-111.318 36.439 1.00 56.74 C +ATOM 754 N GLY A 112 -103.986-111.767 34.705 1.00 52.82 N +ATOM 755 CA GLY A 112 -102.585-111.431 34.920 1.00 55.02 C +ATOM 756 C GLY A 112 -102.428-109.926 35.120 1.00 54.66 C +ATOM 757 O GLY A 112 -103.147-109.130 34.507 1.00 53.02 O +ATOM 758 N LYS A 113 -101.530-109.508 36.003 1.00 56.59 N +ATOM 759 CA LYS A 113 -101.223-108.088 36.214 1.00 62.03 C +ATOM 760 C LYS A 113 -100.665-107.480 34.933 1.00 60.18 C +ATOM 761 O LYS A 113 -99.925-108.131 34.207 1.00 59.45 O +ATOM 762 CB LYS A 113 -100.233-107.917 37.374 1.00 59.94 C +ATOM 763 CG LYS A 113 -100.799-108.378 38.719 1.00 56.00 C +ATOM 764 CD LYS A 113 -99.777-108.157 39.835 1.00 54.90 C +ATOM 765 CE LYS A 113 -100.296-108.654 41.183 1.00 51.43 C +ATOM 766 NZ LYS A 113 -99.276-108.501 42.252 1.00 45.98 N +ATOM 767 N ASP A 114 -101.048-106.248 34.698 1.00 62.52 N +ATOM 768 CA ASP A 114 -100.441-105.511 33.601 1.00 66.27 C +ATOM 769 C ASP A 114 -98.922-105.464 33.780 1.00 64.63 C +ATOM 770 O ASP A 114 -98.411-105.351 34.899 1.00 60.99 O +ATOM 771 CB ASP A 114 -101.046-104.096 33.491 1.00 63.08 C +ATOM 772 CG ASP A 114 -102.499-104.089 33.036 1.00 58.95 C +ATOM 773 OD1 ASP A 114 -102.914-105.029 32.332 1.00 56.34 O +ATOM 774 OD2 ASP A 114 -103.205-103.125 33.400 1.00 55.51 O +ATOM 775 N GLY A 115 -98.235-105.601 32.706 1.00 58.69 N +ATOM 776 CA GLY A 115 -96.785-105.486 32.701 1.00 59.29 C +ATOM 777 C GLY A 115 -96.340-104.111 33.196 1.00 60.04 C +ATOM 778 O GLY A 115 -97.013-103.101 32.951 1.00 57.44 O +ATOM 779 N GLU A 116 -95.272-104.089 33.908 1.00 53.35 N +ATOM 780 CA GLU A 116 -94.702-102.828 34.374 1.00 57.01 C +ATOM 781 C GLU A 116 -94.353-101.891 33.204 1.00 54.51 C +ATOM 782 O GLU A 116 -93.970-102.324 32.113 1.00 54.21 O +ATOM 783 CB GLU A 116 -93.467-103.079 35.264 1.00 56.86 C +ATOM 784 CG GLU A 116 -93.834-103.806 36.569 1.00 53.29 C +ATOM 785 CD GLU A 116 -92.670-103.966 37.560 1.00 51.17 C +ATOM 786 OE1 GLU A 116 -92.976-104.223 38.760 1.00 50.22 O +ATOM 787 OE2 GLU A 116 -91.502-103.830 37.137 1.00 49.16 O +ATOM 788 N ALA A 117 -94.539-100.619 33.437 1.00 63.88 N +ATOM 789 CA ALA A 117 -94.138 -99.639 32.433 1.00 65.33 C +ATOM 790 C ALA A 117 -92.642 -99.755 32.144 1.00 63.48 C +ATOM 791 O ALA A 117 -91.828 -99.910 33.049 1.00 60.44 O +ATOM 792 CB ALA A 117 -94.528 -98.228 32.920 1.00 63.42 C +ATOM 793 N GLY A 118 -92.359 -99.708 30.911 1.00 57.16 N +ATOM 794 CA GLY A 118 -90.964 -99.740 30.496 1.00 58.33 C +ATOM 795 C GLY A 118 -90.169 -98.602 31.144 1.00 58.46 C +ATOM 796 O GLY A 118 -90.661 -97.482 31.293 1.00 56.50 O +ATOM 797 N ALA A 119 -88.979 -98.907 31.510 1.00 55.32 N +ATOM 798 CA ALA A 119 -88.077 -97.891 32.062 1.00 59.16 C +ATOM 799 C ALA A 119 -87.865 -96.739 31.057 1.00 58.04 C +ATOM 800 O ALA A 119 -87.834 -96.932 29.840 1.00 56.86 O +ATOM 801 CB ALA A 119 -86.754 -98.563 32.447 1.00 58.11 C +ATOM 802 N GLN A 120 -87.724 -95.509 31.583 1.00 55.80 N +ATOM 803 CA GLN A 120 -87.404 -94.355 30.750 1.00 59.83 C +ATOM 804 C GLN A 120 -86.081 -94.580 30.024 1.00 58.09 C +ATOM 805 O GLN A 120 -85.109 -95.037 30.625 1.00 56.10 O +ATOM 806 CB GLN A 120 -87.374 -93.085 31.627 1.00 59.53 C +ATOM 807 CG GLN A 120 -87.145 -91.805 30.799 1.00 56.42 C +ATOM 808 CD GLN A 120 -87.218 -90.523 31.636 1.00 55.37 C +ATOM 809 OE1 GLN A 120 -87.448 -90.520 32.833 1.00 56.15 O +ATOM 810 NE2 GLN A 120 -87.033 -89.371 31.022 1.00 51.79 N +ATOM 811 N GLY A 121 -86.095 -94.325 28.774 1.00 55.55 N +ATOM 812 CA GLY A 121 -84.874 -94.418 27.981 1.00 57.38 C +ATOM 813 C GLY A 121 -83.753 -93.545 28.553 1.00 57.54 C +ATOM 814 O GLY A 121 -84.037 -92.503 29.158 1.00 56.19 O +ATOM 815 N PRO A 122 -82.533 -93.942 28.371 1.00 54.59 N +ATOM 816 CA PRO A 122 -81.395 -93.148 28.827 1.00 57.60 C +ATOM 817 C PRO A 122 -81.389 -91.760 28.166 1.00 55.25 C +ATOM 818 O PRO A 122 -81.873 -91.581 27.046 1.00 54.61 O +ATOM 819 CB PRO A 122 -80.150 -93.964 28.466 1.00 58.30 C +ATOM 820 CG PRO A 122 -80.598 -94.806 27.274 1.00 57.24 C +ATOM 821 CD PRO A 122 -82.061 -95.086 27.597 1.00 59.54 C +ATOM 822 N ALA A 123 -80.846 -90.771 28.857 1.00 58.68 N +ATOM 823 CA ALA A 123 -80.633 -89.459 28.247 1.00 60.51 C +ATOM 824 C ALA A 123 -79.732 -89.577 27.008 1.00 58.79 C +ATOM 825 O ALA A 123 -78.773 -90.340 27.005 1.00 56.51 O +ATOM 826 CB ALA A 123 -80.030 -88.505 29.294 1.00 59.55 C +ATOM 827 N GLY A 124 -80.080 -88.848 26.003 1.00 54.46 N +ATOM 828 CA GLY A 124 -79.259 -88.786 24.802 1.00 56.05 C +ATOM 829 C GLY A 124 -77.825 -88.323 25.101 1.00 56.30 C +ATOM 830 O GLY A 124 -77.609 -87.587 26.082 1.00 55.16 O +ATOM 831 N PRO A 125 -76.915 -88.754 24.311 1.00 52.74 N +ATOM 832 CA PRO A 125 -75.531 -88.335 24.489 1.00 56.00 C +ATOM 833 C PRO A 125 -75.400 -86.804 24.392 1.00 53.86 C +ATOM 834 O PRO A 125 -76.168 -86.133 23.693 1.00 53.59 O +ATOM 835 CB PRO A 125 -74.729 -89.060 23.398 1.00 56.89 C +ATOM 836 CG PRO A 125 -75.761 -89.281 22.295 1.00 55.15 C +ATOM 837 CD PRO A 125 -77.052 -89.513 23.076 1.00 56.82 C +ATOM 838 N MET A 126 -74.443 -86.260 25.097 1.00 57.25 N +ATOM 839 CA MET A 126 -74.107 -84.841 24.947 1.00 58.93 C +ATOM 840 C MET A 126 -73.682 -84.538 23.513 1.00 58.37 C +ATOM 841 O MET A 126 -72.951 -85.319 22.907 1.00 55.96 O +ATOM 842 CB MET A 126 -73.006 -84.483 25.956 1.00 57.51 C +ATOM 843 CG MET A 126 -72.775 -82.973 26.067 1.00 53.03 C +ATOM 844 SD MET A 126 -71.657 -82.499 27.419 1.00 50.73 S +ATOM 845 CE MET A 126 -70.077 -83.065 26.746 1.00 49.60 C +ATOM 846 N GLY A 127 -74.166 -83.447 22.994 1.00 55.86 N +ATOM 847 CA GLY A 127 -73.775 -83.006 21.662 1.00 57.07 C +ATOM 848 C GLY A 127 -72.255 -82.815 21.539 1.00 57.41 C +ATOM 849 O GLY A 127 -71.582 -82.567 22.551 1.00 56.12 O +ATOM 850 N PRO A 128 -71.738 -82.946 20.356 1.00 54.27 N +ATOM 851 CA PRO A 128 -70.319 -82.739 20.128 1.00 57.72 C +ATOM 852 C PRO A 128 -69.899 -81.320 20.535 1.00 55.96 C +ATOM 853 O PRO A 128 -70.696 -80.376 20.506 1.00 55.34 O +ATOM 854 CB PRO A 128 -70.090 -83.012 18.633 1.00 57.94 C +ATOM 855 CG PRO A 128 -71.447 -82.695 18.005 1.00 55.97 C +ATOM 856 CD PRO A 128 -72.430 -83.135 19.087 1.00 57.51 C +ATOM 857 N ALA A 129 -68.667 -81.205 20.912 1.00 59.99 N +ATOM 858 CA ALA A 129 -68.114 -79.876 21.151 1.00 61.90 C +ATOM 859 C ALA A 129 -68.195 -79.026 19.868 1.00 61.56 C +ATOM 860 O ALA A 129 -67.981 -79.537 18.778 1.00 59.46 O +ATOM 861 CB ALA A 129 -66.670 -80.006 21.649 1.00 60.01 C +ATOM 862 N GLY A 130 -68.518 -77.772 20.042 1.00 57.48 N +ATOM 863 CA GLY A 130 -68.530 -76.838 18.925 1.00 59.43 C +ATOM 864 C GLY A 130 -67.166 -76.761 18.239 1.00 60.87 C +ATOM 865 O GLY A 130 -66.126 -76.943 18.874 1.00 59.40 O +ATOM 866 N GLU A 131 -67.219 -76.523 16.981 1.00 52.70 N +ATOM 867 CA GLU A 131 -65.991 -76.363 16.204 1.00 57.50 C +ATOM 868 C GLU A 131 -65.128 -75.225 16.762 1.00 56.83 C +ATOM 869 O GLU A 131 -65.611 -74.224 17.311 1.00 55.93 O +ATOM 870 CB GLU A 131 -66.300 -76.150 14.711 1.00 56.39 C +ATOM 871 CG GLU A 131 -66.964 -77.389 14.088 1.00 51.41 C +ATOM 872 CD GLU A 131 -67.130 -77.297 12.558 1.00 47.99 C +ATOM 873 OE1 GLU A 131 -67.344 -78.375 11.948 1.00 46.38 O +ATOM 874 OE2 GLU A 131 -67.041 -76.168 12.025 1.00 44.91 O +ATOM 875 N ARG A 132 -63.835 -75.430 16.658 1.00 58.59 N +ATOM 876 CA ARG A 132 -62.902 -74.388 17.081 1.00 62.28 C +ATOM 877 C ARG A 132 -63.060 -73.191 16.161 1.00 61.15 C +ATOM 878 O ARG A 132 -63.025 -73.348 14.945 1.00 59.12 O +ATOM 879 CB ARG A 132 -61.472 -74.946 17.057 1.00 60.48 C +ATOM 880 CG ARG A 132 -60.463 -73.929 17.602 1.00 54.99 C +ATOM 881 CD ARG A 132 -59.062 -74.553 17.618 1.00 54.33 C +ATOM 882 NE ARG A 132 -58.070 -73.650 18.195 1.00 53.41 N +ATOM 883 CZ ARG A 132 -56.803 -73.926 18.434 1.00 48.01 C +ATOM 884 NH1 ARG A 132 -56.280 -75.093 18.120 1.00 48.94 N +ATOM 885 NH2 ARG A 132 -56.021 -73.038 19.000 1.00 47.65 N +ATOM 886 N GLY A 133 -63.210 -72.031 16.734 1.00 58.76 N +ATOM 887 CA GLY A 133 -63.276 -70.808 15.952 1.00 60.26 C +ATOM 888 C GLY A 133 -62.086 -70.669 14.997 1.00 61.23 C +ATOM 889 O GLY A 133 -60.970 -71.103 15.307 1.00 59.41 O +ATOM 890 N GLU A 134 -62.378 -70.113 13.869 1.00 51.03 N +ATOM 891 CA GLU A 134 -61.336 -69.866 12.870 1.00 55.91 C +ATOM 892 C GLU A 134 -60.232 -68.978 13.438 1.00 54.89 C +ATOM 893 O GLU A 134 -60.428 -68.147 14.335 1.00 54.11 O +ATOM 894 CB GLU A 134 -61.932 -69.266 11.587 1.00 55.34 C +ATOM 895 CG GLU A 134 -62.887 -70.241 10.878 1.00 51.04 C +ATOM 896 CD GLU A 134 -63.340 -69.749 9.489 1.00 48.09 C +ATOM 897 OE1 GLU A 134 -63.786 -70.614 8.699 1.00 46.72 O +ATOM 898 OE2 GLU A 134 -63.213 -68.526 9.233 1.00 45.64 O +ATOM 899 N LYS A 135 -59.036 -69.225 12.929 1.00 61.64 N +ATOM 900 CA LYS A 135 -57.904 -68.393 13.309 1.00 65.38 C +ATOM 901 C LYS A 135 -58.146 -66.976 12.804 1.00 63.57 C +ATOM 902 O LYS A 135 -58.448 -66.795 11.636 1.00 61.85 O +ATOM 903 CB LYS A 135 -56.624 -69.005 12.727 1.00 62.89 C +ATOM 904 CG LYS A 135 -55.363 -68.246 13.165 1.00 57.96 C +ATOM 905 CD LYS A 135 -54.130 -68.919 12.561 1.00 57.25 C +ATOM 906 CE LYS A 135 -52.864 -68.153 12.944 1.00 55.48 C +ATOM 907 NZ LYS A 135 -51.664 -68.733 12.289 1.00 50.14 N +ATOM 908 N GLY A 136 -58.009 -66.028 13.679 1.00 58.38 N +ATOM 909 CA GLY A 136 -58.116 -64.631 13.270 1.00 59.44 C +ATOM 910 C GLY A 136 -57.161 -64.298 12.120 1.00 60.07 C +ATOM 911 O GLY A 136 -56.061 -64.846 12.042 1.00 57.75 O +ATOM 912 N GLU A 137 -57.627 -63.458 11.252 1.00 52.33 N +ATOM 913 CA GLU A 137 -56.807 -63.006 10.132 1.00 57.15 C +ATOM 914 C GLU A 137 -55.511 -62.350 10.626 1.00 55.59 C +ATOM 915 O GLU A 137 -55.482 -61.715 11.686 1.00 55.08 O +ATOM 916 CB GLU A 137 -57.581 -62.035 9.219 1.00 56.68 C +ATOM 917 CG GLU A 137 -58.760 -62.722 8.494 1.00 52.67 C +ATOM 918 CD GLU A 137 -59.403 -61.813 7.422 1.00 49.63 C +ATOM 919 OE1 GLU A 137 -60.042 -62.377 6.506 1.00 48.00 O +ATOM 920 OE2 GLU A 137 -59.236 -60.573 7.520 1.00 46.94 O +ATOM 921 N PRO A 138 -54.441 -62.527 9.886 1.00 59.58 N +ATOM 922 CA PRO A 138 -53.217 -61.804 10.200 1.00 61.95 C +ATOM 923 C PRO A 138 -53.490 -60.301 10.248 1.00 60.05 C +ATOM 924 O PRO A 138 -54.153 -59.753 9.372 1.00 58.68 O +ATOM 925 CB PRO A 138 -52.214 -62.155 9.095 1.00 62.51 C +ATOM 926 CG PRO A 138 -52.721 -63.483 8.558 1.00 59.70 C +ATOM 927 CD PRO A 138 -54.226 -63.373 8.717 1.00 63.32 C +ATOM 928 N GLY A 139 -52.958 -59.674 11.241 1.00 58.78 N +ATOM 929 CA GLY A 139 -53.016 -58.220 11.288 1.00 60.41 C +ATOM 930 C GLY A 139 -52.398 -57.599 10.032 1.00 61.15 C +ATOM 931 O GLY A 139 -51.419 -58.113 9.484 1.00 59.15 O +ATOM 932 N THR A 140 -52.986 -56.508 9.588 1.00 53.72 N +ATOM 933 CA THR A 140 -52.455 -55.787 8.437 1.00 57.30 C +ATOM 934 C THR A 140 -51.027 -55.322 8.714 1.00 55.51 C +ATOM 935 O THR A 140 -50.678 -54.939 9.833 1.00 54.25 O +ATOM 936 CB THR A 140 -53.348 -54.601 8.042 1.00 57.40 C +ATOM 937 OG1 THR A 140 -53.574 -53.756 9.147 1.00 54.20 O +ATOM 938 CG2 THR A 140 -54.708 -55.057 7.543 1.00 54.73 C +ATOM 939 N GLN A 141 -50.229 -55.411 7.686 1.00 57.61 N +ATOM 940 CA GLN A 141 -48.864 -54.896 7.805 1.00 60.85 C +ATOM 941 C GLN A 141 -48.916 -53.413 8.171 1.00 58.94 C +ATOM 942 O GLN A 141 -49.633 -52.636 7.534 1.00 56.43 O +ATOM 943 CB GLN A 141 -48.109 -55.157 6.497 1.00 59.50 C +ATOM 944 CG GLN A 141 -46.630 -54.735 6.591 1.00 55.79 C +ATOM 945 CD GLN A 141 -45.827 -55.096 5.332 1.00 53.92 C +ATOM 946 OE1 GLN A 141 -46.305 -55.606 4.341 1.00 53.42 O +ATOM 947 NE2 GLN A 141 -44.535 -54.848 5.336 1.00 49.68 N +ATOM 948 N GLY A 142 -48.169 -53.041 9.177 1.00 58.79 N +ATOM 949 CA GLY A 142 -48.060 -51.642 9.552 1.00 59.97 C +ATOM 950 C GLY A 142 -47.606 -50.788 8.363 1.00 60.37 C +ATOM 951 O GLY A 142 -46.806 -51.228 7.539 1.00 58.41 O +ATOM 952 N ALA A 143 -48.174 -49.610 8.278 1.00 58.65 N +ATOM 953 CA ALA A 143 -47.770 -48.672 7.241 1.00 62.32 C +ATOM 954 C ALA A 143 -46.255 -48.450 7.294 1.00 62.07 C +ATOM 955 O ALA A 143 -45.642 -48.407 8.364 1.00 60.72 O +ATOM 956 CB ALA A 143 -48.562 -47.363 7.393 1.00 60.45 C +ATOM 957 N LYS A 144 -45.663 -48.361 6.116 1.00 63.04 N +ATOM 958 CA LYS A 144 -44.248 -48.022 6.032 1.00 67.71 C +ATOM 959 C LYS A 144 -44.032 -46.679 6.715 1.00 66.30 C +ATOM 960 O LYS A 144 -44.741 -45.724 6.404 1.00 64.12 O +ATOM 961 CB LYS A 144 -43.818 -48.005 4.561 1.00 64.67 C +ATOM 962 CG LYS A 144 -42.312 -47.758 4.394 1.00 58.36 C +ATOM 963 CD LYS A 144 -41.922 -47.866 2.919 1.00 58.34 C +ATOM 964 CE LYS A 144 -40.421 -47.659 2.759 1.00 55.70 C +ATOM 965 NZ LYS A 144 -40.000 -47.844 1.354 1.00 50.40 N +ATOM 966 N GLY A 145 -43.075 -46.623 7.597 1.00 60.16 N +ATOM 967 CA GLY A 145 -42.734 -45.362 8.251 1.00 61.99 C +ATOM 968 C GLY A 145 -42.392 -44.278 7.226 1.00 63.71 C +ATOM 969 O GLY A 145 -41.821 -44.566 6.175 1.00 61.47 O +ATOM 970 N ASP A 146 -42.793 -43.100 7.563 1.00 59.25 N +ATOM 971 CA ASP A 146 -42.503 -41.956 6.705 1.00 63.83 C +ATOM 972 C ASP A 146 -41.000 -41.822 6.478 1.00 63.32 C +ATOM 973 O ASP A 146 -40.163 -42.170 7.326 1.00 61.98 O +ATOM 974 CB ASP A 146 -43.091 -40.664 7.299 1.00 61.25 C +ATOM 975 CG ASP A 146 -44.617 -40.663 7.296 1.00 57.96 C +ATOM 976 OD1 ASP A 146 -45.202 -41.155 6.298 1.00 55.82 O +ATOM 977 OD2 ASP A 146 -45.199 -40.168 8.288 1.00 53.33 O +ATOM 978 N ARG A 147 -40.652 -41.349 5.283 1.00 61.41 N +ATOM 979 CA ARG A 147 -39.247 -41.051 4.994 1.00 65.72 C +ATOM 980 C ARG A 147 -38.768 -40.029 6.013 1.00 63.53 C +ATOM 981 O ARG A 147 -39.389 -38.978 6.168 1.00 60.45 O +ATOM 982 CB ARG A 147 -39.093 -40.556 3.550 1.00 63.42 C +ATOM 983 CG ARG A 147 -37.634 -40.155 3.235 1.00 58.24 C +ATOM 984 CD ARG A 147 -37.458 -39.609 1.807 1.00 58.73 C +ATOM 985 NE ARG A 147 -37.407 -40.673 0.799 1.00 56.54 N +ATOM 986 CZ ARG A 147 -37.267 -40.498 -0.511 1.00 51.40 C +ATOM 987 NH1 ARG A 147 -37.214 -39.306 -1.050 1.00 51.79 N +ATOM 988 NH2 ARG A 147 -37.167 -41.525 -1.313 1.00 50.25 N +ATOM 989 N GLY A 148 -37.682 -40.329 6.661 1.00 61.25 N +ATOM 990 CA GLY A 148 -37.075 -39.376 7.579 1.00 62.18 C +ATOM 991 C GLY A 148 -36.813 -38.032 6.897 1.00 62.61 C +ATOM 992 O GLY A 148 -36.467 -37.982 5.718 1.00 60.17 O +ATOM 993 N GLU A 149 -37.019 -36.992 7.653 1.00 55.85 N +ATOM 994 CA GLU A 149 -36.755 -35.648 7.166 1.00 60.24 C +ATOM 995 C GLU A 149 -35.298 -35.518 6.720 1.00 58.87 C +ATOM 996 O GLU A 149 -34.372 -36.109 7.290 1.00 58.14 O +ATOM 997 CB GLU A 149 -37.088 -34.588 8.226 1.00 58.84 C +ATOM 998 CG GLU A 149 -38.595 -34.555 8.562 1.00 54.74 C +ATOM 999 CD GLU A 149 -38.973 -33.402 9.513 1.00 52.62 C +ATOM 1000 OE1 GLU A 149 -40.190 -33.094 9.580 1.00 50.90 O +ATOM 1001 OE2 GLU A 149 -38.060 -32.833 10.151 1.00 49.69 O +ATOM 1002 N THR A 150 -35.119 -34.771 5.650 1.00 67.08 N +ATOM 1003 CA THR A 150 -33.772 -34.459 5.181 1.00 68.20 C +ATOM 1004 C THR A 150 -33.044 -33.699 6.281 1.00 65.31 C +ATOM 1005 O THR A 150 -33.560 -32.708 6.794 1.00 61.85 O +ATOM 1006 CB THR A 150 -33.811 -33.632 3.887 1.00 66.98 C +ATOM 1007 OG1 THR A 150 -34.551 -34.327 2.904 1.00 62.77 O +ATOM 1008 CG2 THR A 150 -32.426 -33.378 3.299 1.00 63.09 C +ATOM 1009 N GLY A 151 -31.875 -34.181 6.634 1.00 61.75 N +ATOM 1010 CA GLY A 151 -31.068 -33.488 7.633 1.00 62.32 C +ATOM 1011 C GLY A 151 -30.797 -32.033 7.234 1.00 62.53 C +ATOM 1012 O GLY A 151 -30.766 -31.710 6.046 1.00 60.76 O +ATOM 1013 N PRO A 152 -30.626 -31.177 8.217 1.00 59.35 N +ATOM 1014 CA PRO A 152 -30.352 -29.778 7.934 1.00 62.60 C +ATOM 1015 C PRO A 152 -29.093 -29.636 7.075 1.00 60.93 C +ATOM 1016 O PRO A 152 -28.150 -30.425 7.179 1.00 60.22 O +ATOM 1017 CB PRO A 152 -30.219 -29.093 9.301 1.00 61.97 C +ATOM 1018 CG PRO A 152 -29.785 -30.235 10.227 1.00 59.50 C +ATOM 1019 CD PRO A 152 -30.521 -31.439 9.643 1.00 61.45 C +ATOM 1020 N VAL A 153 -29.103 -28.631 6.237 1.00 67.20 N +ATOM 1021 CA VAL A 153 -27.915 -28.285 5.451 1.00 70.04 C +ATOM 1022 C VAL A 153 -26.771 -27.989 6.411 1.00 68.90 C +ATOM 1023 O VAL A 153 -26.938 -27.233 7.373 1.00 65.63 O +ATOM 1024 CB VAL A 153 -28.193 -27.089 4.517 1.00 67.46 C +ATOM 1025 CG1 VAL A 153 -26.961 -26.678 3.697 1.00 61.68 C +ATOM 1026 CG2 VAL A 153 -29.306 -27.422 3.524 1.00 63.51 C +ATOM 1027 N GLY A 154 -25.633 -28.612 6.155 1.00 59.69 N +ATOM 1028 CA GLY A 154 -24.440 -28.356 6.954 1.00 61.22 C +ATOM 1029 C GLY A 154 -24.081 -26.863 6.976 1.00 62.31 C +ATOM 1030 O GLY A 154 -24.395 -26.132 6.032 1.00 60.84 O +ATOM 1031 N PRO A 155 -23.445 -26.415 8.052 1.00 59.29 N +ATOM 1032 CA PRO A 155 -23.048 -25.027 8.155 1.00 63.19 C +ATOM 1033 C PRO A 155 -22.163 -24.642 6.958 1.00 62.08 C +ATOM 1034 O PRO A 155 -21.394 -25.444 6.432 1.00 60.65 O +ATOM 1035 CB PRO A 155 -22.324 -24.889 9.495 1.00 62.01 C +ATOM 1036 CG PRO A 155 -21.815 -26.304 9.766 1.00 59.19 C +ATOM 1037 CD PRO A 155 -22.905 -27.187 9.159 1.00 60.48 C +ATOM 1038 N ARG A 156 -22.307 -23.409 6.517 1.00 61.37 N +ATOM 1039 CA ARG A 156 -21.453 -22.883 5.454 1.00 66.26 C +ATOM 1040 C ARG A 156 -20.004 -22.912 5.920 1.00 63.35 C +ATOM 1041 O ARG A 156 -19.722 -22.429 7.009 1.00 60.21 O +ATOM 1042 CB ARG A 156 -21.918 -21.468 5.089 1.00 64.12 C +ATOM 1043 CG ARG A 156 -21.149 -20.894 3.896 1.00 59.59 C +ATOM 1044 CD ARG A 156 -21.712 -19.515 3.539 1.00 59.23 C +ATOM 1045 NE ARG A 156 -21.026 -18.952 2.377 1.00 57.41 N +ATOM 1046 CZ ARG A 156 -21.337 -17.814 1.767 1.00 51.45 C +ATOM 1047 NH1 ARG A 156 -22.316 -17.058 2.181 1.00 52.00 N +ATOM 1048 NH2 ARG A 156 -20.662 -17.418 0.722 1.00 50.70 N +ATOM 1049 N GLY A 157 -19.130 -23.434 5.071 1.00 59.76 N +ATOM 1050 CA GLY A 157 -17.703 -23.415 5.353 1.00 60.66 C +ATOM 1051 C GLY A 157 -17.209 -22.004 5.671 1.00 62.02 C +ATOM 1052 O GLY A 157 -17.736 -21.013 5.151 1.00 59.63 O +ATOM 1053 N GLU A 158 -16.231 -21.943 6.555 1.00 54.72 N +ATOM 1054 CA GLU A 158 -15.625 -20.675 6.930 1.00 59.50 C +ATOM 1055 C GLU A 158 -15.042 -19.971 5.699 1.00 57.60 C +ATOM 1056 O GLU A 158 -14.650 -20.582 4.707 1.00 56.35 O +ATOM 1057 CB GLU A 158 -14.561 -20.861 8.023 1.00 58.27 C +ATOM 1058 CG GLU A 158 -15.197 -21.368 9.335 1.00 54.75 C +ATOM 1059 CD GLU A 158 -14.217 -21.375 10.530 1.00 52.04 C +ATOM 1060 OE1 GLU A 158 -14.737 -21.443 11.671 1.00 50.11 O +ATOM 1061 OE2 GLU A 158 -12.998 -21.296 10.287 1.00 49.63 O +ATOM 1062 N ARG A 159 -15.077 -18.649 5.750 1.00 62.49 N +ATOM 1063 CA ARG A 159 -14.494 -17.860 4.669 1.00 66.47 C +ATOM 1064 C ARG A 159 -12.993 -18.110 4.648 1.00 63.29 C +ATOM 1065 O ARG A 159 -12.355 -17.941 5.671 1.00 59.88 O +ATOM 1066 CB ARG A 159 -14.839 -16.377 4.884 1.00 64.60 C +ATOM 1067 CG ARG A 159 -14.333 -15.498 3.732 1.00 60.46 C +ATOM 1068 CD ARG A 159 -14.736 -14.050 3.983 1.00 60.90 C +ATOM 1069 NE ARG A 159 -14.315 -13.175 2.876 1.00 58.90 N +ATOM 1070 CZ ARG A 159 -14.533 -11.880 2.783 1.00 53.56 C +ATOM 1071 NH1 ARG A 159 -15.171 -11.217 3.709 1.00 54.09 N +ATOM 1072 NH2 ARG A 159 -14.114 -11.215 1.742 1.00 52.46 N +ATOM 1073 N GLY A 160 -12.469 -18.458 3.473 1.00 59.26 N +ATOM 1074 CA GLY A 160 -11.034 -18.604 3.308 1.00 59.15 C +ATOM 1075 C GLY A 160 -10.275 -17.356 3.773 1.00 59.52 C +ATOM 1076 O GLY A 160 -10.783 -16.236 3.644 1.00 56.76 O +ATOM 1077 N GLU A 161 -9.097 -17.583 4.331 1.00 52.56 N +ATOM 1078 CA GLU A 161 -8.236 -16.488 4.774 1.00 56.63 C +ATOM 1079 C GLU A 161 -7.937 -15.532 3.619 1.00 53.81 C +ATOM 1080 O GLU A 161 -7.863 -15.912 2.441 1.00 53.28 O +ATOM 1081 CB GLU A 161 -6.940 -17.022 5.396 1.00 56.78 C +ATOM 1082 CG GLU A 161 -7.191 -17.804 6.700 1.00 53.54 C +ATOM 1083 CD GLU A 161 -5.897 -18.183 7.435 1.00 51.30 C +ATOM 1084 OE1 GLU A 161 -5.996 -18.491 8.646 1.00 50.03 O +ATOM 1085 OE2 GLU A 161 -4.818 -18.147 6.796 1.00 49.70 O +ATOM 1086 N ALA A 162 -7.812 -14.251 3.955 1.00 64.38 N +ATOM 1087 CA ALA A 162 -7.425 -13.268 2.962 1.00 65.40 C +ATOM 1088 C ALA A 162 -6.028 -13.613 2.417 1.00 63.77 C +ATOM 1089 O ALA A 162 -5.121 -13.934 3.177 1.00 60.64 O +ATOM 1090 CB ALA A 162 -7.474 -11.864 3.574 1.00 63.74 C +ATOM 1091 N GLY A 163 -5.878 -13.542 1.095 1.00 56.97 N +ATOM 1092 CA GLY A 163 -4.564 -13.718 0.494 1.00 57.38 C +ATOM 1093 C GLY A 163 -3.547 -12.710 1.044 1.00 57.01 C +ATOM 1094 O GLY A 163 -3.937 -11.606 1.452 1.00 55.17 O +ATOM 1095 N PRO A 164 -2.260 -13.064 1.037 1.00 55.39 N +ATOM 1096 CA PRO A 164 -1.223 -12.158 1.507 1.00 58.93 C +ATOM 1097 C PRO A 164 -1.256 -10.838 0.725 1.00 56.16 C +ATOM 1098 O PRO A 164 -1.627 -10.800 -0.452 1.00 55.11 O +ATOM 1099 CB PRO A 164 0.101 -12.915 1.325 1.00 59.56 C +ATOM 1100 CG PRO A 164 -0.206 -13.916 0.207 1.00 58.27 C +ATOM 1101 CD PRO A 164 -1.671 -14.259 0.453 1.00 60.50 C +ATOM 1102 N ALA A 165 -0.865 -9.758 1.396 1.00 59.37 N +ATOM 1103 CA ALA A 165 -0.740 -8.473 0.732 1.00 61.64 C +ATOM 1104 C ALA A 165 0.228 -8.575 -0.465 1.00 59.35 C +ATOM 1105 O ALA A 165 1.239 -9.277 -0.403 1.00 57.25 O +ATOM 1106 CB ALA A 165 -0.289 -7.414 1.747 1.00 60.65 C +ATOM 1107 N GLY A 166 -0.122 -7.903 -1.563 1.00 56.08 N +ATOM 1108 CA GLY A 166 0.787 -7.791 -2.700 1.00 57.57 C +ATOM 1109 C GLY A 166 2.101 -7.139 -2.290 1.00 58.94 C +ATOM 1110 O GLY A 166 2.121 -6.292 -1.398 1.00 56.88 O +ATOM 1111 N LYS A 167 3.189 -7.551 -2.941 1.00 55.69 N +ATOM 1112 CA LYS A 167 4.494 -6.931 -2.704 1.00 61.62 C +ATOM 1113 C LYS A 167 4.442 -5.446 -3.073 1.00 59.98 C +ATOM 1114 O LYS A 167 3.753 -5.077 -4.030 1.00 58.67 O +ATOM 1115 CB LYS A 167 5.588 -7.644 -3.515 1.00 59.83 C +ATOM 1116 CG LYS A 167 5.802 -9.092 -3.067 1.00 56.57 C +ATOM 1117 CD LYS A 167 6.934 -9.741 -3.881 1.00 54.98 C +ATOM 1118 CE LYS A 167 7.130 -11.189 -3.459 1.00 52.28 C +ATOM 1119 NZ LYS A 167 8.209 -11.842 -4.245 1.00 46.47 N +ATOM 1120 N ASP A 168 5.187 -4.638 -2.343 1.00 60.42 N +ATOM 1121 CA ASP A 168 5.338 -3.234 -2.684 1.00 65.35 C +ATOM 1122 C ASP A 168 5.826 -3.076 -4.126 1.00 63.91 C +ATOM 1123 O ASP A 168 6.643 -3.864 -4.613 1.00 60.43 O +ATOM 1124 CB ASP A 168 6.286 -2.530 -1.701 1.00 62.56 C +ATOM 1125 CG ASP A 168 5.726 -2.430 -0.280 1.00 59.56 C +ATOM 1126 OD1 ASP A 168 4.483 -2.422 -0.139 1.00 57.21 O +ATOM 1127 OD2 ASP A 168 6.551 -2.357 0.659 1.00 55.58 O +ATOM 1128 N GLY A 169 5.276 -2.066 -4.813 1.00 57.88 N +ATOM 1129 CA GLY A 169 5.717 -1.740 -6.162 1.00 58.87 C +ATOM 1130 C GLY A 169 7.198 -1.370 -6.185 1.00 60.43 C +ATOM 1131 O GLY A 169 7.733 -0.792 -5.237 1.00 57.85 O +ATOM 1132 N GLU A 170 7.859 -1.697 -7.286 1.00 51.51 N +ATOM 1133 CA GLU A 170 9.261 -1.337 -7.464 1.00 56.83 C +ATOM 1134 C GLU A 170 9.439 0.185 -7.421 1.00 54.81 C +ATOM 1135 O GLU A 170 8.585 0.961 -7.866 1.00 53.83 O +ATOM 1136 CB GLU A 170 9.826 -1.917 -8.771 1.00 56.83 C +ATOM 1137 CG GLU A 170 9.868 -3.453 -8.735 1.00 53.14 C +ATOM 1138 CD GLU A 170 10.552 -4.075 -9.961 1.00 49.89 C +ATOM 1139 OE1 GLU A 170 10.864 -5.283 -9.881 1.00 48.45 O +ATOM 1140 OE2 GLU A 170 10.762 -3.356 -10.963 1.00 47.44 O +ATOM 1141 N ARG A 171 10.554 0.623 -6.855 1.00 55.79 N +ATOM 1142 CA ARG A 171 10.892 2.037 -6.826 1.00 59.68 C +ATOM 1143 C ARG A 171 11.032 2.557 -8.252 1.00 57.09 C +ATOM 1144 O ARG A 171 11.743 1.958 -9.052 1.00 54.96 O +ATOM 1145 CB ARG A 171 12.169 2.235 -5.999 1.00 59.18 C +ATOM 1146 CG ARG A 171 12.486 3.722 -5.788 1.00 55.72 C +ATOM 1147 CD ARG A 171 13.725 3.856 -4.906 1.00 55.84 C +ATOM 1148 NE ARG A 171 14.027 5.259 -4.629 1.00 54.60 N +ATOM 1149 CZ ARG A 171 14.992 5.704 -3.847 1.00 49.39 C +ATOM 1150 NH1 ARG A 171 15.821 4.896 -3.242 1.00 50.08 N +ATOM 1151 NH2 ARG A 171 15.148 6.989 -3.661 1.00 48.97 N +ATOM 1152 N GLY A 172 10.368 3.671 -8.544 1.00 57.24 N +ATOM 1153 CA GLY A 172 10.492 4.311 -9.844 1.00 57.82 C +ATOM 1154 C GLY A 172 11.947 4.655 -10.200 1.00 58.71 C +ATOM 1155 O GLY A 172 12.773 4.837 -9.300 1.00 56.97 O +ATOM 1156 N PRO A 173 12.263 4.752 -11.499 1.00 55.05 N +ATOM 1157 CA PRO A 173 13.606 5.091 -11.944 1.00 58.23 C +ATOM 1158 C PRO A 173 14.027 6.461 -11.391 1.00 55.62 C +ATOM 1159 O PRO A 173 13.192 7.355 -11.202 1.00 54.55 O +ATOM 1160 CB PRO A 173 13.566 5.064 -13.475 1.00 58.55 C +ATOM 1161 CG PRO A 173 12.100 5.352 -13.788 1.00 56.54 C +ATOM 1162 CD PRO A 173 11.362 4.669 -12.635 1.00 57.02 C +ATOM 1163 N VAL A 174 15.311 6.617 -11.155 1.00 59.82 N +ATOM 1164 CA VAL A 174 15.874 7.908 -10.750 1.00 63.50 C +ATOM 1165 C VAL A 174 15.634 8.928 -11.882 1.00 61.41 C +ATOM 1166 O VAL A 174 15.852 8.603 -13.046 1.00 58.39 O +ATOM 1167 CB VAL A 174 17.372 7.778 -10.411 1.00 61.97 C +ATOM 1168 CG1 VAL A 174 18.007 9.109 -9.986 1.00 57.66 C +ATOM 1169 CG2 VAL A 174 17.581 6.793 -9.252 1.00 58.35 C +ATOM 1170 N GLY A 175 15.164 10.117 -11.525 1.00 54.86 N +ATOM 1171 CA GLY A 175 14.983 11.197 -12.491 1.00 55.93 C +ATOM 1172 C GLY A 175 16.302 11.560 -13.193 1.00 56.54 C +ATOM 1173 O GLY A 175 17.380 11.335 -12.634 1.00 55.15 O +ATOM 1174 N PRO A 176 16.233 12.129 -14.409 1.00 51.89 N +ATOM 1175 CA PRO A 176 17.429 12.547 -15.130 1.00 55.72 C +ATOM 1176 C PRO A 176 18.230 13.564 -14.300 1.00 53.15 C +ATOM 1177 O PRO A 176 17.658 14.347 -13.537 1.00 52.57 O +ATOM 1178 CB PRO A 176 16.932 13.137 -16.453 1.00 56.65 C +ATOM 1179 CG PRO A 176 15.510 13.602 -16.120 1.00 55.46 C +ATOM 1180 CD PRO A 176 15.041 12.558 -15.099 1.00 55.51 C +ATOM 1181 N ALA A 177 19.550 13.541 -14.464 1.00 55.65 N +ATOM 1182 CA ALA A 177 20.404 14.542 -13.830 1.00 59.21 C +ATOM 1183 C ALA A 177 19.997 15.957 -14.289 1.00 56.87 C +ATOM 1184 O ALA A 177 19.650 16.162 -15.453 1.00 54.92 O +ATOM 1185 CB ALA A 177 21.874 14.237 -14.148 1.00 58.53 C +ATOM 1186 N GLY A 178 20.030 16.913 -13.355 1.00 52.98 N +ATOM 1187 CA GLY A 178 19.850 18.321 -13.695 1.00 54.59 C +ATOM 1188 C GLY A 178 20.917 18.785 -14.687 1.00 55.20 C +ATOM 1189 O GLY A 178 22.032 18.266 -14.694 1.00 53.45 O +ATOM 1190 N LYS A 179 20.558 19.753 -15.520 1.00 51.08 N +ATOM 1191 CA LYS A 179 21.521 20.338 -16.458 1.00 56.21 C +ATOM 1192 C LYS A 179 22.630 21.043 -15.685 1.00 54.56 C +ATOM 1193 O LYS A 179 22.358 21.695 -14.675 1.00 53.58 O +ATOM 1194 CB LYS A 179 20.824 21.314 -17.425 1.00 55.42 C +ATOM 1195 CG LYS A 179 19.832 20.611 -18.354 1.00 52.74 C +ATOM 1196 CD LYS A 179 19.167 21.621 -19.297 1.00 50.61 C +ATOM 1197 CE LYS A 179 18.141 20.916 -20.183 1.00 48.07 C +ATOM 1198 NZ LYS A 179 17.398 21.886 -21.020 1.00 43.35 N +ATOM 1199 N ASP A 180 23.837 20.946 -16.211 1.00 54.34 N +ATOM 1200 CA ASP A 180 24.961 21.674 -15.636 1.00 58.28 C +ATOM 1201 C ASP A 180 24.679 23.183 -15.632 1.00 56.63 C +ATOM 1202 O ASP A 180 24.074 23.728 -16.570 1.00 54.57 O +ATOM 1203 CB ASP A 180 26.269 21.358 -16.393 1.00 56.96 C +ATOM 1204 CG ASP A 180 26.724 19.899 -16.238 1.00 54.72 C +ATOM 1205 OD1 ASP A 180 26.349 19.278 -15.214 1.00 52.59 O +ATOM 1206 OD2 ASP A 180 27.435 19.423 -17.142 1.00 50.93 O +ATOM 1207 N GLY A 181 25.094 23.849 -14.562 1.00 55.45 N +ATOM 1208 CA GLY A 181 25.040 25.301 -14.493 1.00 56.73 C +ATOM 1209 C GLY A 181 25.906 25.935 -15.583 1.00 57.64 C +ATOM 1210 O GLY A 181 26.944 25.398 -15.963 1.00 55.38 O +ATOM 1211 N GLN A 182 25.464 27.082 -16.091 1.00 49.60 N +ATOM 1212 CA GLN A 182 26.277 27.825 -17.051 1.00 54.11 C +ATOM 1213 C GLN A 182 27.581 28.277 -16.389 1.00 53.64 C +ATOM 1214 O GLN A 182 27.578 28.721 -15.240 1.00 52.37 O +ATOM 1215 CB GLN A 182 25.502 29.020 -17.621 1.00 53.59 C +ATOM 1216 CG GLN A 182 24.322 28.569 -18.502 1.00 51.37 C +ATOM 1217 CD GLN A 182 23.555 29.732 -19.140 1.00 47.88 C +ATOM 1218 OE1 GLN A 182 23.762 30.897 -18.863 1.00 47.16 O +ATOM 1219 NE2 GLN A 182 22.628 29.450 -20.028 1.00 43.91 N +ATOM 1220 N ASN A 183 28.663 28.184 -17.140 1.00 57.75 N +ATOM 1221 CA ASN A 183 29.939 28.717 -16.668 1.00 61.69 C +ATOM 1222 C ASN A 183 29.804 30.208 -16.359 1.00 59.53 C +ATOM 1223 O ASN A 183 29.141 30.950 -17.091 1.00 57.12 O +ATOM 1224 CB ASN A 183 31.040 28.448 -17.706 1.00 59.61 C +ATOM 1225 CG ASN A 183 31.414 26.980 -17.837 1.00 56.21 C +ATOM 1226 OD1 ASN A 183 31.153 26.159 -16.977 1.00 54.54 O +ATOM 1227 ND2 ASN A 183 32.056 26.592 -18.914 1.00 52.08 N +ATOM 1228 N GLY A 184 30.440 30.652 -15.292 1.00 56.80 N +ATOM 1229 CA GLY A 184 30.566 32.079 -15.007 1.00 58.00 C +ATOM 1230 C GLY A 184 31.308 32.793 -16.145 1.00 58.61 C +ATOM 1231 O GLY A 184 32.197 32.219 -16.765 1.00 56.40 O +ATOM 1232 N GLN A 185 30.906 34.034 -16.408 1.00 50.83 N +ATOM 1233 CA GLN A 185 31.627 34.850 -17.384 1.00 55.41 C +ATOM 1234 C GLN A 185 33.049 35.125 -16.883 1.00 54.90 C +ATOM 1235 O GLN A 185 33.252 35.365 -15.693 1.00 53.45 O +ATOM 1236 CB GLN A 185 30.885 36.165 -17.656 1.00 54.65 C +ATOM 1237 CG GLN A 185 29.548 35.927 -18.392 1.00 51.97 C +ATOM 1238 CD GLN A 185 28.785 37.215 -18.702 1.00 48.50 C +ATOM 1239 OE1 GLN A 185 29.122 38.314 -18.299 1.00 47.65 O +ATOM 1240 NE2 GLN A 185 27.702 37.131 -19.434 1.00 44.34 N +ATOM 1241 N ASP A 186 33.991 35.119 -17.822 1.00 56.66 N +ATOM 1242 CA ASP A 186 35.365 35.483 -17.504 1.00 60.35 C +ATOM 1243 C ASP A 186 35.430 36.898 -16.920 1.00 58.50 C +ATOM 1244 O ASP A 186 34.697 37.810 -17.327 1.00 56.02 O +ATOM 1245 CB ASP A 186 36.265 35.367 -18.749 1.00 59.21 C +ATOM 1246 CG ASP A 186 36.466 33.926 -19.234 1.00 56.97 C +ATOM 1247 OD1 ASP A 186 36.348 33.006 -18.391 1.00 55.05 O +ATOM 1248 OD2 ASP A 186 36.760 33.758 -20.432 1.00 53.03 O +ATOM 1249 N GLY A 187 36.289 37.076 -15.941 1.00 60.08 N +ATOM 1250 CA GLY A 187 36.554 38.397 -15.391 1.00 60.40 C +ATOM 1251 C GLY A 187 37.113 39.337 -16.466 1.00 61.28 C +ATOM 1252 O GLY A 187 37.899 38.929 -17.312 1.00 58.84 O +ATOM 1253 N LEU A 188 36.694 40.601 -16.407 1.00 54.82 N +ATOM 1254 CA LEU A 188 37.237 41.602 -17.321 1.00 59.66 C +ATOM 1255 C LEU A 188 38.755 41.738 -17.120 1.00 59.03 C +ATOM 1256 O LEU A 188 39.222 41.688 -15.979 1.00 58.39 O +ATOM 1257 CB LEU A 188 36.539 42.960 -17.122 1.00 59.17 C +ATOM 1258 CG LEU A 188 35.048 42.985 -17.504 1.00 55.57 C +ATOM 1259 CD1 LEU A 188 34.446 44.339 -17.122 1.00 53.87 C +ATOM 1260 CD2 LEU A 188 34.817 42.771 -19.002 1.00 52.43 C +ATOM 1261 N PRO A 189 39.513 41.938 -18.216 1.00 61.50 N +ATOM 1262 CA PRO A 189 40.939 42.223 -18.103 1.00 64.54 C +ATOM 1263 C PRO A 189 41.201 43.397 -17.150 1.00 62.08 C +ATOM 1264 O PRO A 189 40.447 44.377 -17.120 1.00 60.74 O +ATOM 1265 CB PRO A 189 41.424 42.531 -19.530 1.00 64.79 C +ATOM 1266 CG PRO A 189 40.428 41.784 -20.416 1.00 60.62 C +ATOM 1267 CD PRO A 189 39.125 41.886 -19.631 1.00 62.99 C +ATOM 1268 N GLY A 190 42.263 43.305 -16.387 1.00 67.04 N +ATOM 1269 CA GLY A 190 42.743 44.433 -15.597 1.00 67.01 C +ATOM 1270 C GLY A 190 43.116 45.611 -16.502 1.00 67.76 C +ATOM 1271 O GLY A 190 43.601 45.409 -17.615 1.00 65.78 O +ATOM 1272 N LYS A 191 42.862 46.830 -16.029 1.00 57.67 N +ATOM 1273 CA LYS A 191 43.297 48.033 -16.762 1.00 63.73 C +ATOM 1274 C LYS A 191 44.817 48.090 -16.786 1.00 63.38 C +ATOM 1275 O LYS A 191 45.446 47.807 -15.769 1.00 62.32 O +ATOM 1276 CB LYS A 191 42.710 49.306 -16.133 1.00 61.98 C +ATOM 1277 CG LYS A 191 41.180 49.362 -16.255 1.00 57.90 C +ATOM 1278 CD LYS A 191 40.638 50.668 -15.676 1.00 56.00 C +ATOM 1279 CE LYS A 191 39.114 50.689 -15.807 1.00 51.86 C +ATOM 1280 NZ LYS A 191 38.521 51.935 -15.264 1.00 45.73 N +ATOM 1281 N ASP A 192 45.352 48.519 -17.925 1.00 63.41 N +ATOM 1282 CA ASP A 192 46.785 48.749 -18.037 1.00 66.58 C +ATOM 1283 C ASP A 192 47.273 49.750 -16.984 1.00 64.93 C +ATOM 1284 O ASP A 192 46.553 50.674 -16.578 1.00 61.83 O +ATOM 1285 CB ASP A 192 47.148 49.221 -19.460 1.00 64.16 C +ATOM 1286 CG ASP A 192 46.920 48.168 -20.551 1.00 59.68 C +ATOM 1287 OD1 ASP A 192 46.888 46.959 -20.210 1.00 56.58 O +ATOM 1288 OD2 ASP A 192 46.783 48.568 -21.725 1.00 55.42 O +ATOM 1289 N GLY A 193 48.493 49.551 -16.512 1.00 67.12 N +ATOM 1290 CA GLY A 193 49.164 50.515 -15.648 1.00 66.99 C +ATOM 1291 C GLY A 193 49.334 51.853 -16.363 1.00 67.11 C +ATOM 1292 O GLY A 193 49.532 51.894 -17.580 1.00 65.00 O +ATOM 1293 N LYS A 194 49.237 52.930 -15.625 1.00 61.98 N +ATOM 1294 CA LYS A 194 49.500 54.254 -16.196 1.00 66.42 C +ATOM 1295 C LYS A 194 50.957 54.335 -16.632 1.00 66.15 C +ATOM 1296 O LYS A 194 51.834 53.879 -15.903 1.00 65.13 O +ATOM 1297 CB LYS A 194 49.177 55.369 -15.198 1.00 63.95 C +ATOM 1298 CG LYS A 194 47.680 55.465 -14.878 1.00 58.71 C +ATOM 1299 CD LYS A 194 47.423 56.626 -13.918 1.00 56.49 C +ATOM 1300 CE LYS A 194 45.936 56.732 -13.583 1.00 51.77 C +ATOM 1301 NZ LYS A 194 45.676 57.853 -12.643 1.00 46.05 N +ATOM 1302 N ASP A 195 51.188 54.985 -17.782 1.00 63.72 N +ATOM 1303 CA ASP A 195 52.538 55.259 -18.247 1.00 67.17 C +ATOM 1304 C ASP A 195 53.335 56.042 -17.182 1.00 65.81 C +ATOM 1305 O ASP A 195 52.795 56.901 -16.467 1.00 62.59 O +ATOM 1306 CB ASP A 195 52.511 56.017 -19.587 1.00 64.96 C +ATOM 1307 CG ASP A 195 51.997 55.191 -20.781 1.00 60.75 C +ATOM 1308 OD1 ASP A 195 52.015 53.947 -20.706 1.00 57.41 O +ATOM 1309 OD2 ASP A 195 51.629 55.817 -21.798 1.00 55.97 O +ATOM 1310 N GLY A 196 54.592 55.718 -17.075 1.00 65.55 N +ATOM 1311 CA GLY A 196 55.509 56.486 -16.237 1.00 65.81 C +ATOM 1312 C GLY A 196 55.581 57.950 -16.699 1.00 66.43 C +ATOM 1313 O GLY A 196 55.500 58.248 -17.888 1.00 64.46 O +ATOM 1314 N GLN A 197 55.721 58.853 -15.748 1.00 57.51 N +ATOM 1315 CA GLN A 197 55.896 60.268 -16.095 1.00 61.43 C +ATOM 1316 C GLN A 197 57.194 60.461 -16.883 1.00 61.20 C +ATOM 1317 O GLN A 197 58.214 59.863 -16.547 1.00 59.73 O +ATOM 1318 CB GLN A 197 55.882 61.150 -14.837 1.00 60.57 C +ATOM 1319 CG GLN A 197 54.500 61.180 -14.165 1.00 57.61 C +ATOM 1320 CD GLN A 197 54.438 62.116 -12.960 1.00 53.63 C +ATOM 1321 OE1 GLN A 197 55.417 62.628 -12.441 1.00 52.33 O +ATOM 1322 NE2 GLN A 197 53.254 62.375 -12.446 1.00 48.28 N +ATOM 1323 N ASN A 198 57.125 61.324 -17.899 1.00 64.19 N +ATOM 1324 CA ASN A 198 58.324 61.674 -18.647 1.00 67.56 C +ATOM 1325 C ASN A 198 59.412 62.215 -17.710 1.00 65.74 C +ATOM 1326 O ASN A 198 59.125 62.970 -16.770 1.00 62.59 O +ATOM 1327 CB ASN A 198 57.986 62.695 -19.750 1.00 65.24 C +ATOM 1328 CG ASN A 198 57.096 62.145 -20.858 1.00 60.45 C +ATOM 1329 OD1 ASN A 198 56.979 60.947 -21.065 1.00 57.75 O +ATOM 1330 ND2 ASN A 198 56.454 62.993 -21.626 1.00 55.52 N +ATOM 1331 N GLY A 199 60.627 61.853 -17.987 1.00 64.64 N +ATOM 1332 CA GLY A 199 61.772 62.461 -17.313 1.00 64.50 C +ATOM 1333 C GLY A 199 61.790 63.979 -17.537 1.00 64.76 C +ATOM 1334 O GLY A 199 61.382 64.472 -18.583 1.00 62.93 O +ATOM 1335 N LYS A 200 62.248 64.705 -16.540 1.00 60.68 N +ATOM 1336 CA LYS A 200 62.409 66.160 -16.679 1.00 66.74 C +ATOM 1337 C LYS A 200 63.465 66.456 -17.734 1.00 65.57 C +ATOM 1338 O LYS A 200 64.479 65.765 -17.796 1.00 64.87 O +ATOM 1339 CB LYS A 200 62.778 66.804 -15.337 1.00 65.45 C +ATOM 1340 CG LYS A 200 61.645 66.703 -14.307 1.00 60.96 C +ATOM 1341 CD LYS A 200 62.047 67.369 -12.994 1.00 58.66 C +ATOM 1342 CE LYS A 200 60.927 67.234 -11.964 1.00 54.07 C +ATOM 1343 NZ LYS A 200 61.306 67.817 -10.660 1.00 47.27 N +ATOM 1344 N ASP A 201 63.202 67.506 -18.506 1.00 61.93 N +ATOM 1345 CA ASP A 201 64.197 67.982 -19.471 1.00 64.97 C +ATOM 1346 C ASP A 201 65.536 68.266 -18.775 1.00 62.33 C +ATOM 1347 O ASP A 201 65.581 68.788 -17.649 1.00 59.12 O +ATOM 1348 CB ASP A 201 63.688 69.234 -20.213 1.00 63.55 C +ATOM 1349 CG ASP A 201 62.525 68.986 -21.181 1.00 60.62 C +ATOM 1350 OD1 ASP A 201 62.294 67.826 -21.584 1.00 57.44 O +ATOM 1351 OD2 ASP A 201 61.882 69.983 -21.584 1.00 55.59 O +ATOM 1352 N GLY A 202 66.614 67.934 -19.455 1.00 65.66 N +ATOM 1353 CA GLY A 202 67.956 68.290 -18.994 1.00 64.62 C +ATOM 1354 C GLY A 202 68.109 69.816 -18.881 1.00 64.16 C +ATOM 1355 O GLY A 202 67.547 70.576 -19.672 1.00 61.65 O +ATOM 1356 N LEU A 203 68.839 70.244 -17.876 1.00 56.53 N +ATOM 1357 CA LEU A 203 69.116 71.671 -17.720 1.00 60.75 C +ATOM 1358 C LEU A 203 69.873 72.195 -18.956 1.00 59.64 C +ATOM 1359 O LEU A 203 70.730 71.485 -19.488 1.00 59.14 O +ATOM 1360 CB LEU A 203 69.918 71.927 -16.436 1.00 60.44 C +ATOM 1361 CG LEU A 203 69.147 71.639 -15.134 1.00 56.47 C +ATOM 1362 CD1 LEU A 203 70.090 71.761 -13.943 1.00 54.10 C +ATOM 1363 CD2 LEU A 203 67.977 72.597 -14.928 1.00 53.15 C +ATOM 1364 N PRO A 204 69.579 73.419 -19.392 1.00 61.04 N +ATOM 1365 CA PRO A 204 70.366 74.032 -20.463 1.00 63.61 C +ATOM 1366 C PRO A 204 71.862 74.013 -20.136 1.00 61.19 C +ATOM 1367 O PRO A 204 72.251 74.244 -18.983 1.00 59.97 O +ATOM 1368 CB PRO A 204 69.837 75.463 -20.615 1.00 63.71 C +ATOM 1369 CG PRO A 204 68.410 75.374 -20.088 1.00 59.70 C +ATOM 1370 CD PRO A 204 68.498 74.324 -18.988 1.00 61.93 C +ATOM 1371 N GLY A 205 72.663 73.767 -21.165 1.00 59.43 N +ATOM 1372 CA GLY A 205 74.109 73.908 -21.027 1.00 59.70 C +ATOM 1373 C GLY A 205 74.458 75.318 -20.533 1.00 59.55 C +ATOM 1374 O GLY A 205 73.839 76.300 -20.928 1.00 57.20 O +ATOM 1375 N LYS A 206 75.422 75.407 -19.648 1.00 54.47 N +ATOM 1376 CA LYS A 206 75.873 76.708 -19.140 1.00 59.53 C +ATOM 1377 C LYS A 206 76.471 77.516 -20.287 1.00 58.99 C +ATOM 1378 O LYS A 206 77.284 76.994 -21.046 1.00 57.39 O +ATOM 1379 CB LYS A 206 76.888 76.529 -18.008 1.00 58.21 C +ATOM 1380 CG LYS A 206 76.255 75.909 -16.758 1.00 54.10 C +ATOM 1381 CD LYS A 206 77.298 75.677 -15.666 1.00 52.20 C +ATOM 1382 CE LYS A 206 76.649 74.989 -14.459 1.00 47.96 C +ATOM 1383 NZ LYS A 206 77.642 74.532 -13.473 1.00 42.80 N +ATOM 1384 N ASP A 207 76.071 78.769 -20.362 1.00 54.04 N +ATOM 1385 CA ASP A 207 76.695 79.688 -21.307 1.00 56.86 C +ATOM 1386 C ASP A 207 78.206 79.734 -21.092 1.00 54.83 C +ATOM 1387 O ASP A 207 78.705 79.680 -19.957 1.00 53.48 O +ATOM 1388 CB ASP A 207 76.091 81.101 -21.177 1.00 56.20 C +ATOM 1389 CG ASP A 207 74.645 81.219 -21.677 1.00 52.59 C +ATOM 1390 OD1 ASP A 207 74.240 80.387 -22.502 1.00 50.21 O +ATOM 1391 OD2 ASP A 207 73.969 82.173 -21.247 1.00 49.42 O +ATOM 1392 N GLY A 208 78.932 79.856 -22.219 1.00 52.34 N +ATOM 1393 CA GLY A 208 80.349 80.152 -22.158 1.00 53.27 C +ATOM 1394 C GLY A 208 80.584 81.416 -21.321 1.00 53.33 C +ATOM 1395 O GLY A 208 79.847 82.393 -21.439 1.00 51.23 O +ATOM 1396 N LYS A 209 81.549 81.370 -20.438 1.00 48.58 N +ATOM 1397 CA LYS A 209 81.823 82.515 -19.559 1.00 52.90 C +ATOM 1398 C LYS A 209 82.241 83.720 -20.384 1.00 52.37 C +ATOM 1399 O LYS A 209 83.397 83.805 -20.804 1.00 51.17 O +ATOM 1400 CB LYS A 209 82.886 82.160 -18.511 1.00 52.41 C +ATOM 1401 CG LYS A 209 82.392 81.184 -17.445 1.00 48.44 C +ATOM 1402 CD LYS A 209 83.494 80.915 -16.429 1.00 46.88 C +ATOM 1403 CE LYS A 209 83.031 79.938 -15.351 1.00 42.83 C +ATOM 1404 NZ LYS A 209 84.118 79.596 -14.407 1.00 38.88 N +ATOM 1405 N ASP A 210 81.294 84.634 -20.569 1.00 47.23 N +ATOM 1406 CA ASP A 210 81.612 85.974 -21.029 1.00 49.69 C +ATOM 1407 C ASP A 210 82.351 86.746 -19.932 1.00 48.34 C +ATOM 1408 O ASP A 210 82.131 86.567 -18.725 1.00 48.16 O +ATOM 1409 CB ASP A 210 80.333 86.729 -21.450 1.00 49.71 C +ATOM 1410 CG ASP A 210 79.816 86.426 -22.861 1.00 46.67 C +ATOM 1411 OD1 ASP A 210 80.560 85.824 -23.648 1.00 44.84 O +ATOM 1412 OD2 ASP A 210 78.704 86.894 -23.178 1.00 43.97 O +ATOM 1413 N GLY A 211 83.177 87.689 -20.368 1.00 47.45 N +ATOM 1414 CA GLY A 211 83.552 88.799 -19.508 1.00 48.52 C +ATOM 1415 C GLY A 211 82.297 89.592 -19.081 1.00 47.94 C +ATOM 1416 O GLY A 211 81.530 90.029 -19.920 1.00 46.57 O +ATOM 1417 N GLN A 212 82.069 89.705 -17.837 1.00 42.04 N +ATOM 1418 CA GLN A 212 80.935 90.208 -17.033 1.00 45.31 C +ATOM 1419 C GLN A 212 79.688 90.911 -17.655 1.00 44.80 C +ATOM 1420 O GLN A 212 79.753 91.961 -18.266 1.00 44.19 O +ATOM 1421 CB GLN A 212 81.524 91.125 -15.951 1.00 45.31 C +ATOM 1422 CG GLN A 212 82.270 90.342 -14.861 1.00 42.66 C +ATOM 1423 CD GLN A 212 82.750 91.207 -13.706 1.00 39.90 C +ATOM 1424 OE1 GLN A 212 82.768 92.418 -13.738 1.00 38.15 O +ATOM 1425 NE2 GLN A 212 83.164 90.608 -12.612 1.00 36.69 N +ATOM 1426 N ASN A 213 78.539 90.422 -17.197 1.00 48.67 N +ATOM 1427 CA ASN A 213 77.192 90.991 -16.978 1.00 51.15 C +ATOM 1428 C ASN A 213 76.171 91.101 -18.129 1.00 50.24 C +ATOM 1429 O ASN A 213 76.192 92.001 -18.961 1.00 49.65 O +ATOM 1430 CB ASN A 213 77.252 92.304 -16.161 1.00 50.36 C +ATOM 1431 CG ASN A 213 77.618 92.096 -14.705 1.00 46.27 C +ATOM 1432 OD1 ASN A 213 77.673 90.990 -14.199 1.00 44.05 O +ATOM 1433 ND2 ASN A 213 77.851 93.164 -13.971 1.00 42.94 N +ATOM 1434 N GLY A 214 75.102 90.302 -18.032 1.00 44.54 N +ATOM 1435 CA GLY A 214 73.774 90.514 -18.624 1.00 45.62 C +ATOM 1436 C GLY A 214 72.709 89.580 -18.016 1.00 45.18 C +ATOM 1437 O GLY A 214 73.022 88.444 -17.703 1.00 44.10 O +ATOM 1438 N LYS A 215 71.443 90.102 -17.774 1.00 47.35 N +ATOM 1439 CA LYS A 215 70.365 89.521 -16.948 1.00 52.40 C +ATOM 1440 C LYS A 215 69.664 88.296 -17.575 1.00 50.65 C +ATOM 1441 O LYS A 215 69.637 88.143 -18.784 1.00 50.07 O +ATOM 1442 CB LYS A 215 69.309 90.610 -16.685 1.00 52.54 C +ATOM 1443 CG LYS A 215 69.816 91.787 -15.851 1.00 49.77 C +ATOM 1444 CD LYS A 215 68.736 92.866 -15.744 1.00 48.00 C +ATOM 1445 CE LYS A 215 69.223 94.042 -14.885 1.00 44.89 C +ATOM 1446 NZ LYS A 215 68.233 95.144 -14.846 1.00 40.33 N +ATOM 1447 N ASP A 216 69.045 87.522 -16.707 1.00 49.74 N +ATOM 1448 CA ASP A 216 68.387 86.242 -16.973 1.00 52.69 C +ATOM 1449 C ASP A 216 67.339 86.265 -18.101 1.00 50.92 C +ATOM 1450 O ASP A 216 66.551 87.210 -18.241 1.00 50.44 O +ATOM 1451 CB ASP A 216 67.724 85.739 -15.674 1.00 52.37 C +ATOM 1452 CG ASP A 216 68.685 85.652 -14.488 1.00 49.96 C +ATOM 1453 OD1 ASP A 216 69.850 85.253 -14.719 1.00 47.94 O +ATOM 1454 OD2 ASP A 216 68.284 86.067 -13.383 1.00 47.06 O +ATOM 1455 N GLY A 217 67.301 85.191 -18.907 1.00 47.65 N +ATOM 1456 CA GLY A 217 66.289 84.932 -19.937 1.00 48.40 C +ATOM 1457 C GLY A 217 65.017 84.270 -19.396 1.00 48.37 C +ATOM 1458 O GLY A 217 65.042 83.611 -18.358 1.00 46.80 O +ATOM 1459 N LEU A 218 63.851 84.446 -20.085 1.00 46.53 N +ATOM 1460 CA LEU A 218 62.524 83.922 -19.699 1.00 51.26 C +ATOM 1461 C LEU A 218 62.412 82.386 -19.846 1.00 49.93 C +ATOM 1462 O LEU A 218 63.059 81.807 -20.720 1.00 50.18 O +ATOM 1463 CB LEU A 218 61.445 84.615 -20.567 1.00 51.73 C +ATOM 1464 CG LEU A 218 61.228 86.108 -20.284 1.00 48.65 C +ATOM 1465 CD1 LEU A 218 60.365 86.730 -21.374 1.00 47.10 C +ATOM 1466 CD2 LEU A 218 60.548 86.350 -18.946 1.00 45.70 C +ATOM 1467 N PRO A 219 61.537 81.741 -19.068 1.00 50.02 N +ATOM 1468 CA PRO A 219 61.320 80.288 -19.124 1.00 53.54 C +ATOM 1469 C PRO A 219 60.857 79.786 -20.500 1.00 51.16 C +ATOM 1470 O PRO A 219 60.111 80.464 -21.211 1.00 51.76 O +ATOM 1471 CB PRO A 219 60.261 79.966 -18.052 1.00 54.51 C +ATOM 1472 CG PRO A 219 60.334 81.147 -17.087 1.00 52.36 C +ATOM 1473 CD PRO A 219 60.711 82.303 -17.975 1.00 53.60 C +ATOM 1474 N GLY A 220 61.269 78.576 -20.866 1.00 48.04 N +ATOM 1475 CA GLY A 220 60.823 77.875 -22.077 1.00 49.43 C +ATOM 1476 C GLY A 220 59.363 77.396 -21.998 1.00 49.68 C +ATOM 1477 O GLY A 220 58.822 77.236 -20.914 1.00 48.42 O +ATOM 1478 N LYS A 221 58.690 77.188 -23.152 1.00 47.15 N +ATOM 1479 CA LYS A 221 57.297 76.698 -23.253 1.00 53.12 C +ATOM 1480 C LYS A 221 57.221 75.181 -23.029 1.00 51.67 C +ATOM 1481 O LYS A 221 58.094 74.453 -23.497 1.00 51.50 O +ATOM 1482 CB LYS A 221 56.687 77.042 -24.625 1.00 53.07 C +ATOM 1483 CG LYS A 221 56.502 78.543 -24.847 1.00 50.77 C +ATOM 1484 CD LYS A 221 55.851 78.812 -26.219 1.00 47.86 C +ATOM 1485 CE LYS A 221 55.658 80.313 -26.434 1.00 45.43 C +ATOM 1486 NZ LYS A 221 55.061 80.606 -27.743 1.00 40.45 N +ATOM 1487 N ASP A 222 56.156 74.760 -22.407 1.00 50.63 N +ATOM 1488 CA ASP A 222 55.860 73.353 -22.118 1.00 55.99 C +ATOM 1489 C ASP A 222 55.798 72.482 -23.387 1.00 53.51 C +ATOM 1490 O ASP A 222 55.444 72.937 -24.481 1.00 52.20 O +ATOM 1491 CB ASP A 222 54.537 73.244 -21.326 1.00 55.98 C +ATOM 1492 CG ASP A 222 54.553 74.022 -20.006 1.00 53.88 C +ATOM 1493 OD1 ASP A 222 55.648 74.114 -19.399 1.00 51.75 O +ATOM 1494 OD2 ASP A 222 53.506 74.585 -19.644 1.00 49.33 O +ATOM 1495 N GLY A 223 56.169 71.206 -23.255 1.00 51.01 N +ATOM 1496 CA GLY A 223 56.092 70.181 -24.308 1.00 52.37 C +ATOM 1497 C GLY A 223 54.652 69.790 -24.653 1.00 52.23 C +ATOM 1498 O GLY A 223 53.746 69.958 -23.838 1.00 50.45 O +ATOM 1499 N LYS A 224 54.412 69.293 -25.880 1.00 48.88 N +ATOM 1500 CA LYS A 224 53.094 68.786 -26.307 1.00 54.24 C +ATOM 1501 C LYS A 224 52.867 67.363 -25.785 1.00 52.35 C +ATOM 1502 O LYS A 224 53.789 66.557 -25.818 1.00 52.44 O +ATOM 1503 CB LYS A 224 52.972 68.788 -27.847 1.00 54.19 C +ATOM 1504 CG LYS A 224 52.960 70.191 -28.465 1.00 51.21 C +ATOM 1505 CD LYS A 224 52.785 70.077 -29.983 1.00 48.65 C +ATOM 1506 CE LYS A 224 52.752 71.455 -30.643 1.00 45.87 C +ATOM 1507 NZ LYS A 224 52.590 71.350 -32.107 1.00 41.15 N +ATOM 1508 N ASP A 225 51.643 67.086 -25.397 1.00 51.50 N +ATOM 1509 CA ASP A 225 51.213 65.766 -24.927 1.00 56.55 C +ATOM 1510 C ASP A 225 51.432 64.669 -25.985 1.00 54.21 C +ATOM 1511 O ASP A 225 51.345 64.905 -27.195 1.00 52.91 O +ATOM 1512 CB ASP A 225 49.728 65.825 -24.498 1.00 56.44 C +ATOM 1513 CG ASP A 225 49.453 66.839 -23.379 1.00 54.50 C +ATOM 1514 OD1 ASP A 225 50.367 67.060 -22.555 1.00 52.72 O +ATOM 1515 OD2 ASP A 225 48.361 67.434 -23.399 1.00 50.34 O +ATOM 1516 N GLY A 226 51.748 63.460 -25.521 1.00 51.46 N +ATOM 1517 CA GLY A 226 51.884 62.261 -26.352 1.00 52.80 C +ATOM 1518 C GLY A 226 50.538 61.757 -26.882 1.00 53.02 C +ATOM 1519 O GLY A 226 49.493 62.043 -26.308 1.00 51.26 O +ATOM 1520 N GLN A 227 50.547 61.018 -28.006 1.00 47.04 N +ATOM 1521 CA GLN A 227 49.347 60.391 -28.575 1.00 52.02 C +ATOM 1522 C GLN A 227 49.027 59.059 -27.876 1.00 51.04 C +ATOM 1523 O GLN A 227 49.930 58.278 -27.607 1.00 50.31 O +ATOM 1524 CB GLN A 227 49.512 60.153 -30.089 1.00 52.18 C +ATOM 1525 CG GLN A 227 49.503 61.464 -30.906 1.00 49.35 C +ATOM 1526 CD GLN A 227 49.592 61.234 -32.413 1.00 45.29 C +ATOM 1527 OE1 GLN A 227 49.940 60.190 -32.929 1.00 44.41 O +ATOM 1528 NE2 GLN A 227 49.286 62.233 -33.206 1.00 41.61 N +ATOM 1529 N ASP A 228 47.754 58.815 -27.660 1.00 52.49 N +ATOM 1530 CA ASP A 228 47.243 57.602 -27.020 1.00 56.79 C +ATOM 1531 C ASP A 228 47.611 56.318 -27.789 1.00 54.54 C +ATOM 1532 O ASP A 228 47.599 56.263 -29.024 1.00 53.18 O +ATOM 1533 CB ASP A 228 45.713 57.700 -26.846 1.00 56.36 C +ATOM 1534 CG ASP A 228 45.258 58.860 -25.961 1.00 53.98 C +ATOM 1535 OD1 ASP A 228 46.008 59.215 -25.027 1.00 52.14 O +ATOM 1536 OD2 ASP A 228 44.170 59.404 -26.236 1.00 50.22 O +ATOM 1537 N GLY A 229 47.960 55.269 -27.055 1.00 51.24 N +ATOM 1538 CA GLY A 229 48.264 53.926 -27.584 1.00 53.07 C +ATOM 1539 C GLY A 229 47.013 53.099 -27.883 1.00 52.83 C +ATOM 1540 O GLY A 229 45.948 53.342 -27.327 1.00 51.29 O +ATOM 1541 N LYS A 230 47.122 52.123 -28.782 1.00 48.16 N +ATOM 1542 CA LYS A 230 46.036 51.181 -29.128 1.00 52.70 C +ATOM 1543 C LYS A 230 45.912 50.046 -28.099 1.00 51.65 C +ATOM 1544 O LYS A 230 46.919 49.539 -27.622 1.00 51.17 O +ATOM 1545 CB LYS A 230 46.267 50.579 -30.526 1.00 52.22 C +ATOM 1546 CG LYS A 230 46.140 51.592 -31.666 1.00 49.40 C +ATOM 1547 CD LYS A 230 46.336 50.898 -33.014 1.00 47.19 C +ATOM 1548 CE LYS A 230 46.214 51.902 -34.161 1.00 44.67 C +ATOM 1549 NZ LYS A 230 46.428 51.273 -35.475 1.00 40.13 N +ATOM 1550 N ASP A 231 44.684 49.635 -27.855 1.00 51.72 N +ATOM 1551 CA ASP A 231 44.331 48.559 -26.923 1.00 54.99 C +ATOM 1552 C ASP A 231 45.012 47.208 -27.238 1.00 52.92 C +ATOM 1553 O ASP A 231 45.145 46.806 -28.402 1.00 51.64 O +ATOM 1554 CB ASP A 231 42.799 48.356 -26.928 1.00 54.50 C +ATOM 1555 CG ASP A 231 41.999 49.585 -26.503 1.00 52.79 C +ATOM 1556 OD1 ASP A 231 42.518 50.346 -25.659 1.00 50.64 O +ATOM 1557 OD2 ASP A 231 40.893 49.767 -27.050 1.00 49.63 O +ATOM 1558 N GLY A 232 45.436 46.504 -26.183 1.00 52.75 N +ATOM 1559 CA GLY A 232 46.049 45.173 -26.278 1.00 54.41 C +ATOM 1560 C GLY A 232 45.700 44.248 -25.100 1.00 54.86 C +ATOM 1561 O GLY A 232 45.335 44.702 -24.023 1.00 52.74 O +ATOM 1562 N LEU A 233 45.797 42.963 -25.398 1.00 53.61 N +ATOM 1563 CA LEU A 233 45.526 41.775 -24.553 1.00 58.06 C +ATOM 1564 C LEU A 233 46.254 41.756 -23.174 1.00 57.40 C +ATOM 1565 O LEU A 233 47.084 42.620 -22.921 1.00 56.59 O +ATOM 1566 CB LEU A 233 45.971 40.573 -25.425 1.00 57.31 C +ATOM 1567 CG LEU A 233 45.060 40.273 -26.636 1.00 54.17 C +ATOM 1568 CD1 LEU A 233 45.775 39.322 -27.589 1.00 52.22 C +ATOM 1569 CD2 LEU A 233 43.746 39.621 -26.207 1.00 51.22 C +ATOM 1570 N PRO A 234 45.939 40.771 -22.305 1.00 60.03 N +ATOM 1571 CA PRO A 234 45.947 40.858 -20.836 1.00 63.64 C +ATOM 1572 C PRO A 234 47.152 41.591 -20.233 1.00 60.55 C +ATOM 1573 O PRO A 234 48.288 41.333 -20.616 1.00 59.19 O +ATOM 1574 CB PRO A 234 45.890 39.405 -20.331 1.00 63.90 C +ATOM 1575 CG PRO A 234 46.394 38.595 -21.507 1.00 60.73 C +ATOM 1576 CD PRO A 234 45.866 39.352 -22.693 1.00 62.70 C +ATOM 1577 N GLY A 235 46.801 42.421 -19.269 1.00 60.43 N +ATOM 1578 CA GLY A 235 47.624 43.316 -18.465 1.00 62.53 C +ATOM 1579 C GLY A 235 49.127 43.320 -18.753 1.00 62.37 C +ATOM 1580 O GLY A 235 49.866 42.536 -18.162 1.00 60.51 O +ATOM 1581 N LYS A 236 49.550 44.189 -19.652 1.00 63.25 N +ATOM 1582 CA LYS A 236 50.972 44.450 -19.850 1.00 67.62 C +ATOM 1583 C LYS A 236 51.466 45.400 -18.769 1.00 67.97 C +ATOM 1584 O LYS A 236 50.729 46.262 -18.315 1.00 65.33 O +ATOM 1585 CB LYS A 236 51.245 45.016 -21.255 1.00 64.54 C +ATOM 1586 CG LYS A 236 50.996 43.982 -22.346 1.00 59.88 C +ATOM 1587 CD LYS A 236 51.338 44.553 -23.727 1.00 57.68 C +ATOM 1588 CE LYS A 236 51.087 43.507 -24.804 1.00 53.54 C +ATOM 1589 NZ LYS A 236 51.386 44.030 -26.152 1.00 47.83 N +ATOM 1590 N ASP A 237 52.703 45.216 -18.404 1.00 67.32 N +ATOM 1591 CA ASP A 237 53.389 46.172 -17.544 1.00 69.75 C +ATOM 1592 C ASP A 237 53.330 47.572 -18.161 1.00 69.52 C +ATOM 1593 O ASP A 237 53.356 47.729 -19.388 1.00 65.59 O +ATOM 1594 CB ASP A 237 54.844 45.733 -17.315 1.00 66.33 C +ATOM 1595 CG ASP A 237 54.956 44.411 -16.556 1.00 61.92 C +ATOM 1596 OD1 ASP A 237 54.066 44.139 -15.719 1.00 58.77 O +ATOM 1597 OD2 ASP A 237 55.919 43.668 -16.830 1.00 58.09 O +ATOM 1598 N GLY A 238 53.210 48.587 -17.314 1.00 67.91 N +ATOM 1599 CA GLY A 238 53.218 49.974 -17.768 1.00 70.09 C +ATOM 1600 C GLY A 238 54.486 50.285 -18.566 1.00 70.72 C +ATOM 1601 O GLY A 238 55.567 49.789 -18.238 1.00 68.61 O +ATOM 1602 N LYS A 239 54.316 51.069 -19.618 1.00 71.97 N +ATOM 1603 CA LYS A 239 55.465 51.423 -20.461 1.00 76.63 C +ATOM 1604 C LYS A 239 56.447 52.283 -19.681 1.00 77.19 C +ATOM 1605 O LYS A 239 56.054 53.115 -18.863 1.00 75.87 O +ATOM 1606 CB LYS A 239 55.012 52.149 -21.729 1.00 72.76 C +ATOM 1607 CG LYS A 239 54.181 51.250 -22.651 1.00 66.77 C +ATOM 1608 CD LYS A 239 53.709 52.073 -23.843 1.00 64.55 C +ATOM 1609 CE LYS A 239 52.771 51.267 -24.726 1.00 59.07 C +ATOM 1610 NZ LYS A 239 52.077 52.168 -25.668 1.00 52.89 N +ATOM 1611 N ASP A 240 57.695 52.106 -20.009 1.00 74.14 N +ATOM 1612 CA ASP A 240 58.719 52.989 -19.476 1.00 76.67 C +ATOM 1613 C ASP A 240 58.456 54.440 -19.879 1.00 76.33 C +ATOM 1614 O ASP A 240 58.010 54.728 -20.996 1.00 71.93 O +ATOM 1615 CB ASP A 240 60.114 52.556 -19.967 1.00 73.07 C +ATOM 1616 CG ASP A 240 60.572 51.210 -19.407 1.00 69.33 C +ATOM 1617 OD1 ASP A 240 60.024 50.786 -18.367 1.00 65.22 O +ATOM 1618 OD2 ASP A 240 61.492 50.630 -20.008 1.00 63.92 O +ATOM 1619 N GLY A 241 58.719 55.354 -18.971 1.00 77.78 N +ATOM 1620 CA GLY A 241 58.669 56.782 -19.280 1.00 78.51 C +ATOM 1621 C GLY A 241 59.640 57.147 -20.403 1.00 79.77 C +ATOM 1622 O GLY A 241 60.731 56.587 -20.502 1.00 77.51 O +ATOM 1623 N LEU A 242 59.217 58.070 -21.251 1.00 75.72 N +ATOM 1624 CA LEU A 242 60.092 58.528 -22.317 1.00 79.48 C +ATOM 1625 C LEU A 242 61.346 59.209 -21.739 1.00 80.00 C +ATOM 1626 O LEU A 242 61.238 59.914 -20.729 1.00 78.88 O +ATOM 1627 CB LEU A 242 59.339 59.478 -23.269 1.00 76.35 C +ATOM 1628 CG LEU A 242 58.207 58.828 -24.079 1.00 70.11 C +ATOM 1629 CD1 LEU A 242 57.453 59.889 -24.857 1.00 65.48 C +ATOM 1630 CD2 LEU A 242 58.719 57.787 -25.073 1.00 64.54 C +ATOM 1631 N PRO A 243 62.497 59.058 -22.392 1.00 79.43 N +ATOM 1632 CA PRO A 243 63.692 59.794 -22.001 1.00 80.84 C +ATOM 1633 C PRO A 243 63.444 61.303 -22.009 1.00 80.17 C +ATOM 1634 O PRO A 243 62.756 61.825 -22.893 1.00 77.68 O +ATOM 1635 CB PRO A 243 64.774 59.405 -23.007 1.00 78.87 C +ATOM 1636 CG PRO A 243 64.332 58.033 -23.514 1.00 75.81 C +ATOM 1637 CD PRO A 243 62.814 58.132 -23.483 1.00 78.44 C +ATOM 1638 N GLY A 244 64.009 61.971 -21.062 1.00 82.10 N +ATOM 1639 CA GLY A 244 64.015 63.428 -21.088 1.00 81.90 C +ATOM 1640 C GLY A 244 64.704 63.968 -22.345 1.00 82.07 C +ATOM 1641 O GLY A 244 65.626 63.346 -22.879 1.00 80.46 O +ATOM 1642 N LYS A 245 64.241 65.128 -22.833 1.00 81.85 N +ATOM 1643 CA LYS A 245 64.866 65.774 -24.004 1.00 82.83 C +ATOM 1644 C LYS A 245 66.276 66.217 -23.650 1.00 83.37 C +ATOM 1645 O LYS A 245 66.538 66.669 -22.540 1.00 82.43 O +ATOM 1646 CB LYS A 245 64.032 66.963 -24.483 1.00 78.76 C +ATOM 1647 CG LYS A 245 62.674 66.525 -25.046 1.00 71.58 C +ATOM 1648 CD LYS A 245 61.859 67.744 -25.467 1.00 68.67 C +ATOM 1649 CE LYS A 245 60.465 67.316 -25.918 1.00 62.95 C +ATOM 1650 NZ LYS A 245 59.558 68.473 -26.006 1.00 55.85 N +ATOM 1651 N ASP A 246 67.128 66.139 -24.652 1.00 81.12 N +ATOM 1652 CA ASP A 246 68.482 66.658 -24.504 1.00 80.59 C +ATOM 1653 C ASP A 246 68.464 68.152 -24.157 1.00 79.24 C +ATOM 1654 O ASP A 246 67.675 68.930 -24.698 1.00 74.71 O +ATOM 1655 CB ASP A 246 69.283 66.440 -25.794 1.00 76.77 C +ATOM 1656 CG ASP A 246 69.541 64.978 -26.138 1.00 72.00 C +ATOM 1657 OD1 ASP A 246 69.447 64.123 -25.235 1.00 67.65 O +ATOM 1658 OD2 ASP A 246 69.873 64.734 -27.310 1.00 66.70 O +ATOM 1659 N GLY A 247 69.342 68.534 -23.295 1.00 82.54 N +ATOM 1660 CA GLY A 247 69.573 69.948 -23.018 1.00 81.05 C +ATOM 1661 C GLY A 247 70.011 70.699 -24.286 1.00 80.70 C +ATOM 1662 O GLY A 247 70.709 70.153 -25.137 1.00 78.78 O +ATOM 1663 N LYS A 248 69.568 71.939 -24.391 1.00 80.67 N +ATOM 1664 CA LYS A 248 69.990 72.782 -25.526 1.00 80.80 C +ATOM 1665 C LYS A 248 71.494 73.033 -25.452 1.00 80.96 C +ATOM 1666 O LYS A 248 72.033 73.267 -24.371 1.00 79.80 O +ATOM 1667 CB LYS A 248 69.226 74.113 -25.546 1.00 76.71 C +ATOM 1668 CG LYS A 248 67.734 73.920 -25.832 1.00 69.40 C +ATOM 1669 CD LYS A 248 67.005 75.265 -25.836 1.00 66.76 C +ATOM 1670 CE LYS A 248 65.508 75.065 -26.065 1.00 61.32 C +ATOM 1671 NZ LYS A 248 64.765 76.327 -25.917 1.00 54.99 N +ATOM 1672 N ASP A 249 72.111 73.035 -26.633 1.00 79.81 N +ATOM 1673 CA ASP A 249 73.528 73.393 -26.715 1.00 79.29 C +ATOM 1674 C ASP A 249 73.757 74.804 -26.162 1.00 77.51 C +ATOM 1675 O ASP A 249 72.972 75.727 -26.398 1.00 73.35 O +ATOM 1676 CB ASP A 249 74.024 73.290 -28.172 1.00 75.78 C +ATOM 1677 CG ASP A 249 73.980 71.880 -28.747 1.00 70.94 C +ATOM 1678 OD1 ASP A 249 74.029 70.903 -27.965 1.00 66.55 O +ATOM 1679 OD2 ASP A 249 73.906 71.761 -29.994 1.00 65.31 O +ATOM 1680 N GLY A 250 74.833 74.955 -25.445 1.00 80.39 N +ATOM 1681 CA GLY A 250 75.253 76.269 -24.971 1.00 78.33 C +ATOM 1682 C GLY A 250 75.590 77.208 -26.143 1.00 77.90 C +ATOM 1683 O GLY A 250 76.077 76.769 -27.185 1.00 75.59 O +ATOM 1684 N GLN A 251 75.295 78.475 -25.979 1.00 76.73 N +ATOM 1685 CA GLN A 251 75.631 79.454 -27.014 1.00 76.81 C +ATOM 1686 C GLN A 251 77.151 79.581 -27.163 1.00 76.03 C +ATOM 1687 O GLN A 251 77.868 79.555 -26.165 1.00 74.47 O +ATOM 1688 CB GLN A 251 75.000 80.824 -26.719 1.00 73.68 C +ATOM 1689 CG GLN A 251 73.462 80.783 -26.819 1.00 67.76 C +ATOM 1690 CD GLN A 251 72.804 82.154 -26.737 1.00 63.99 C +ATOM 1691 OE1 GLN A 251 73.426 83.193 -26.618 1.00 60.92 O +ATOM 1692 NE2 GLN A 251 71.491 82.222 -26.830 1.00 57.00 N +ATOM 1693 N PRO A 252 77.607 79.750 -28.405 1.00 77.44 N +ATOM 1694 CA PRO A 252 79.028 80.008 -28.623 1.00 76.99 C +ATOM 1695 C PRO A 252 79.478 81.258 -27.855 1.00 75.51 C +ATOM 1696 O PRO A 252 78.798 82.287 -27.872 1.00 72.59 O +ATOM 1697 CB PRO A 252 79.196 80.192 -30.133 1.00 74.60 C +ATOM 1698 CG PRO A 252 78.000 79.450 -30.739 1.00 70.73 C +ATOM 1699 CD PRO A 252 76.910 79.640 -29.696 1.00 72.87 C +ATOM 1700 N GLY A 253 80.605 81.157 -27.237 1.00 76.40 N +ATOM 1701 CA GLY A 253 81.203 82.317 -26.580 1.00 75.04 C +ATOM 1702 C GLY A 253 81.451 83.455 -27.576 1.00 74.39 C +ATOM 1703 O GLY A 253 81.862 83.227 -28.710 1.00 71.96 O +ATOM 1704 N LYS A 254 81.188 84.683 -27.148 1.00 74.36 N +ATOM 1705 CA LYS A 254 81.434 85.861 -27.994 1.00 76.41 C +ATOM 1706 C LYS A 254 82.934 86.045 -28.236 1.00 75.14 C +ATOM 1707 O LYS A 254 83.728 85.818 -27.317 1.00 73.16 O +ATOM 1708 CB LYS A 254 80.840 87.122 -27.362 1.00 72.90 C +ATOM 1709 CG LYS A 254 79.310 87.091 -27.338 1.00 67.78 C +ATOM 1710 CD LYS A 254 78.758 88.327 -26.644 1.00 65.94 C +ATOM 1711 CE LYS A 254 77.244 88.183 -26.442 1.00 61.31 C +ATOM 1712 NZ LYS A 254 76.785 88.959 -25.280 1.00 55.51 N +ATOM 1713 N PRO A 255 83.319 86.497 -29.457 1.00 72.58 N +ATOM 1714 CA PRO A 255 84.721 86.792 -29.740 1.00 73.59 C +ATOM 1715 C PRO A 255 85.262 87.840 -28.766 1.00 71.00 C +ATOM 1716 O PRO A 255 84.612 88.858 -28.515 1.00 66.79 O +ATOM 1717 CB PRO A 255 84.771 87.286 -31.182 1.00 71.33 C +ATOM 1718 CG PRO A 255 83.489 86.753 -31.815 1.00 67.95 C +ATOM 1719 CD PRO A 255 82.512 86.714 -30.662 1.00 69.83 C +ATOM 1720 N GLY A 256 86.407 87.548 -28.263 1.00 67.81 N +ATOM 1721 CA GLY A 256 87.078 88.518 -27.408 1.00 67.54 C +ATOM 1722 C GLY A 256 87.309 89.846 -28.147 1.00 64.88 C +ATOM 1723 O GLY A 256 87.718 89.860 -29.306 1.00 61.16 O +ATOM 1724 N LYS A 257 87.055 90.983 -27.508 1.00 67.26 N +ATOM 1725 CA LYS A 257 87.402 92.318 -28.037 1.00 71.89 C +ATOM 1726 C LYS A 257 88.888 92.564 -27.831 1.00 66.74 C +ATOM 1727 O LYS A 257 89.407 92.273 -26.763 1.00 62.84 O +ATOM 1728 CB LYS A 257 86.555 93.415 -27.376 1.00 68.68 C +ATOM 1729 CG LYS A 257 85.081 93.325 -27.774 1.00 62.57 C +ATOM 1730 CD LYS A 257 84.277 94.506 -27.184 1.00 60.38 C +ATOM 1731 CE LYS A 257 82.810 94.425 -27.614 1.00 57.38 C +ATOM 1732 NZ LYS A 257 82.018 95.545 -27.070 1.00 51.20 N +ATOM 1733 N TYR A 258 89.520 93.102 -28.899 1.00 66.99 N +ATOM 1734 CA TYR A 258 90.920 93.524 -28.875 1.00 67.21 C +ATOM 1735 C TYR A 258 91.149 94.705 -27.936 1.00 57.61 C +ATOM 1736 O TYR A 258 90.240 95.568 -27.860 1.00 52.02 O +ATOM 1737 CB TYR A 258 91.385 93.904 -30.295 1.00 61.46 C +ATOM 1738 CG TYR A 258 91.638 92.719 -31.209 1.00 54.84 C +ATOM 1739 CD1 TYR A 258 92.889 92.093 -31.200 1.00 50.83 C +ATOM 1740 CD2 TYR A 258 90.640 92.259 -32.094 1.00 50.63 C +ATOM 1741 CE1 TYR A 258 93.155 91.009 -32.049 1.00 46.46 C +ATOM 1742 CE2 TYR A 258 90.890 91.166 -32.938 1.00 54.48 C +ATOM 1743 CZ TYR A 258 92.152 90.547 -32.923 1.00 48.58 C +ATOM 1744 OH TYR A 258 92.401 89.499 -33.738 1.00 49.80 O +ATOM 1745 OXT TYR A 258 92.260 94.700 -27.356 1.00 48.06 O +TER 1746 TYR A 258 +END diff --git a/protein_pdb_483.txt b/protein_pdb_483.txt new file mode 100644 index 0000000000000000000000000000000000000000..eb835a2d76c7c3f641979be1f167c1792c0b66ab --- /dev/null +++ b/protein_pdb_483.txt @@ -0,0 +1,1748 @@ +ATOM 1 N GLY A 1 35.722-128.121 -4.398 1.00 45.80 N +ATOM 2 CA GLY A 1 35.000-127.126 -3.597 1.00 51.58 C +ATOM 3 C GLY A 1 35.075-125.815 -4.340 1.00 49.68 C +ATOM 4 O GLY A 1 36.115-125.551 -4.937 1.00 47.84 O +ATOM 5 N GLN A 2 34.009-125.136 -4.449 1.00 56.84 N +ATOM 6 CA GLN A 2 34.002-123.807 -5.049 1.00 62.40 C +ATOM 7 C GLN A 2 34.405-122.787 -3.988 1.00 59.84 C +ATOM 8 O GLN A 2 33.816-122.767 -2.913 1.00 56.58 O +ATOM 9 CB GLN A 2 32.610-123.493 -5.622 1.00 60.92 C +ATOM 10 CG GLN A 2 32.270-124.350 -6.852 1.00 55.16 C +ATOM 11 CD GLN A 2 30.875-124.077 -7.409 1.00 50.20 C +ATOM 12 OE1 GLN A 2 30.148-123.202 -6.993 1.00 48.57 O +ATOM 13 NE2 GLN A 2 30.427-124.840 -8.389 1.00 45.84 N +ATOM 14 N ASP A 3 35.442-121.949 -4.287 1.00 54.85 N +ATOM 15 CA ASP A 3 35.883-120.870 -3.407 1.00 59.87 C +ATOM 16 C ASP A 3 34.757-119.833 -3.238 1.00 56.51 C +ATOM 17 O ASP A 3 34.129-119.397 -4.206 1.00 52.95 O +ATOM 18 CB ASP A 3 37.162-120.222 -3.966 1.00 58.22 C +ATOM 19 CG ASP A 3 38.349-121.189 -3.990 1.00 52.40 C +ATOM 20 OD1 ASP A 3 38.474-121.983 -3.027 1.00 49.33 O +ATOM 21 OD2 ASP A 3 39.097-121.155 -4.992 1.00 47.49 O +ATOM 22 N GLY A 4 34.500-119.471 -2.001 1.00 51.55 N +ATOM 23 CA GLY A 4 33.499-118.468 -1.665 1.00 52.95 C +ATOM 24 C GLY A 4 33.883-117.099 -2.245 1.00 52.91 C +ATOM 25 O GLY A 4 35.007-116.637 -2.064 1.00 50.97 O +ATOM 26 N ARG A 5 32.969-116.489 -2.940 1.00 53.57 N +ATOM 27 CA ARG A 5 33.156-115.122 -3.450 1.00 59.14 C +ATOM 28 C ARG A 5 33.214-114.149 -2.271 1.00 57.24 C +ATOM 29 O ARG A 5 32.420-114.264 -1.347 1.00 56.07 O +ATOM 30 CB ARG A 5 32.024-114.738 -4.413 1.00 58.36 C +ATOM 31 CG ARG A 5 32.016-115.584 -5.695 1.00 53.40 C +ATOM 32 CD ARG A 5 30.913-115.091 -6.641 1.00 51.77 C +ATOM 33 NE ARG A 5 30.828-115.924 -7.868 1.00 49.57 N +ATOM 34 CZ ARG A 5 30.033-115.702 -8.906 1.00 44.42 C +ATOM 35 NH1 ARG A 5 29.219-114.687 -8.939 1.00 45.23 N +ATOM 36 NH2 ARG A 5 30.048-116.513 -9.923 1.00 44.69 N +ATOM 37 N ASN A 6 34.171-113.215 -2.318 1.00 56.37 N +ATOM 38 CA ASN A 6 34.204-112.100 -1.369 1.00 60.43 C +ATOM 39 C ASN A 6 32.865-111.344 -1.402 1.00 58.58 C +ATOM 40 O ASN A 6 32.321-111.093 -2.469 1.00 55.56 O +ATOM 41 CB ASN A 6 35.374-111.147 -1.697 1.00 57.59 C +ATOM 42 CG ASN A 6 36.722-111.618 -1.185 1.00 53.08 C +ATOM 43 OD1 ASN A 6 36.829-112.508 -0.365 1.00 50.50 O +ATOM 44 ND2 ASN A 6 37.802-111.019 -1.634 1.00 48.62 N +ATOM 45 N GLY A 7 32.371-110.994 -0.231 1.00 54.26 N +ATOM 46 CA GLY A 7 31.163-110.172 -0.116 1.00 55.12 C +ATOM 47 C GLY A 7 31.369-108.803 -0.779 1.00 55.34 C +ATOM 48 O GLY A 7 32.435-108.203 -0.654 1.00 53.12 O +ATOM 49 N GLU A 8 30.365-108.339 -1.486 1.00 55.13 N +ATOM 50 CA GLU A 8 30.385-107.031 -2.141 1.00 61.31 C +ATOM 51 C GLU A 8 30.496-105.898 -1.121 1.00 59.32 C +ATOM 52 O GLU A 8 29.931-105.943 -0.024 1.00 57.72 O +ATOM 53 CB GLU A 8 29.146-106.857 -3.045 1.00 60.05 C +ATOM 54 CG GLU A 8 29.156-107.847 -4.231 1.00 55.32 C +ATOM 55 CD GLU A 8 27.975-107.691 -5.200 1.00 52.35 C +ATOM 56 OE1 GLU A 8 28.072-108.293 -6.312 1.00 50.42 O +ATOM 57 OE2 GLU A 8 26.986-107.015 -4.841 1.00 49.15 O +ATOM 58 N ARG A 9 31.273-104.862 -1.450 1.00 59.38 N +ATOM 59 CA ARG A 9 31.462-103.664 -0.625 1.00 64.97 C +ATOM 60 C ARG A 9 30.124-102.942 -0.471 1.00 62.25 C +ATOM 61 O ARG A 9 29.447-102.695 -1.465 1.00 57.98 O +ATOM 62 CB ARG A 9 32.533-102.769 -1.273 1.00 62.57 C +ATOM 63 CG ARG A 9 32.871-101.512 -0.458 1.00 57.36 C +ATOM 64 CD ARG A 9 33.963-100.693 -1.154 1.00 56.43 C +ATOM 65 NE ARG A 9 34.341 -99.491 -0.403 1.00 54.30 N +ATOM 66 CZ ARG A 9 35.262 -98.596 -0.719 1.00 48.98 C +ATOM 67 NH1 ARG A 9 35.947 -98.656 -1.826 1.00 49.41 N +ATOM 68 NH2 ARG A 9 35.530 -97.600 0.085 1.00 48.90 N +ATOM 69 N GLY A 10 29.739-102.633 0.737 1.00 57.28 N +ATOM 70 CA GLY A 10 28.516-101.855 0.986 1.00 58.48 C +ATOM 71 C GLY A 10 28.574-100.485 0.294 1.00 58.74 C +ATOM 72 O GLY A 10 29.612 -99.826 0.310 1.00 56.31 O +ATOM 73 N GLU A 11 27.475-100.082 -0.305 1.00 56.28 N +ATOM 74 CA GLU A 11 27.357 -98.790 -0.979 1.00 62.26 C +ATOM 75 C GLU A 11 27.503 -97.627 0.010 1.00 59.31 C +ATOM 76 O GLU A 11 27.036 -97.681 1.156 1.00 57.76 O +ATOM 77 CB GLU A 11 26.023 -98.678 -1.742 1.00 61.32 C +ATOM 78 CG GLU A 11 25.916 -99.673 -2.904 1.00 56.92 C +ATOM 79 CD GLU A 11 24.653 -99.461 -3.774 1.00 54.80 C +ATOM 80 OE1 GLU A 11 24.646 -99.993 -4.917 1.00 52.42 O +ATOM 81 OE2 GLU A 11 23.717 -98.781 -3.294 1.00 51.11 O +ATOM 82 N GLN A 12 28.172 -96.560 -0.431 1.00 61.35 N +ATOM 83 CA GLN A 12 28.316 -95.336 0.345 1.00 65.78 C +ATOM 84 C GLN A 12 26.946 -94.673 0.529 1.00 62.97 C +ATOM 85 O GLN A 12 26.203 -94.486 -0.427 1.00 58.40 O +ATOM 86 CB GLN A 12 29.335 -94.416 -0.357 1.00 64.45 C +ATOM 87 CG GLN A 12 29.632 -93.133 0.435 1.00 61.32 C +ATOM 88 CD GLN A 12 30.727 -92.266 -0.210 1.00 58.95 C +ATOM 89 OE1 GLN A 12 31.362 -92.615 -1.182 1.00 58.45 O +ATOM 90 NE2 GLN A 12 30.996 -91.097 0.335 1.00 53.87 N +ATOM 91 N GLY A 13 26.610 -94.297 1.753 1.00 58.17 N +ATOM 92 CA GLY A 13 25.356 -93.586 2.033 1.00 59.56 C +ATOM 93 C GLY A 13 25.287 -92.237 1.299 1.00 59.73 C +ATOM 94 O GLY A 13 26.314 -91.564 1.170 1.00 57.35 O +ATOM 95 N PRO A 14 24.120 -91.802 0.836 1.00 58.77 N +ATOM 96 CA PRO A 14 23.971 -90.542 0.122 1.00 62.11 C +ATOM 97 C PRO A 14 24.260 -89.342 1.036 1.00 59.24 C +ATOM 98 O PRO A 14 23.923 -89.346 2.222 1.00 57.39 O +ATOM 99 CB PRO A 14 22.531 -90.525 -0.408 1.00 62.05 C +ATOM 100 CG PRO A 14 21.785 -91.423 0.572 1.00 59.44 C +ATOM 101 CD PRO A 14 22.835 -92.472 0.949 1.00 59.48 C +ATOM 102 N THR A 15 24.866 -88.291 0.474 1.00 64.85 N +ATOM 103 CA THR A 15 25.095 -87.015 1.159 1.00 68.51 C +ATOM 104 C THR A 15 23.755 -86.394 1.576 1.00 64.86 C +ATOM 105 O THR A 15 22.811 -86.353 0.793 1.00 60.96 O +ATOM 106 CB THR A 15 25.875 -86.041 0.261 1.00 67.17 C +ATOM 107 OG1 THR A 15 27.036 -86.673 -0.228 1.00 63.30 O +ATOM 108 CG2 THR A 15 26.328 -84.772 0.985 1.00 62.86 C +ATOM 109 N GLY A 16 23.645 -85.890 2.804 1.00 59.37 N +ATOM 110 CA GLY A 16 22.453 -85.206 3.292 1.00 60.54 C +ATOM 111 C GLY A 16 22.167 -83.919 2.499 1.00 60.74 C +ATOM 112 O GLY A 16 23.107 -83.248 2.074 1.00 58.73 O +ATOM 113 N PRO A 17 20.905 -83.547 2.305 1.00 60.88 N +ATOM 114 CA PRO A 17 20.553 -82.330 1.582 1.00 63.62 C +ATOM 115 C PRO A 17 21.002 -81.078 2.347 1.00 60.32 C +ATOM 116 O PRO A 17 20.906 -81.017 3.572 1.00 58.30 O +ATOM 117 CB PRO A 17 19.033 -82.380 1.410 1.00 63.27 C +ATOM 118 CG PRO A 17 18.561 -83.222 2.593 1.00 61.59 C +ATOM 119 CD PRO A 17 19.704 -84.225 2.773 1.00 62.18 C +ATOM 120 N THR A 18 21.420 -80.017 1.609 1.00 66.05 N +ATOM 121 CA THR A 18 21.748 -78.698 2.154 1.00 68.81 C +ATOM 122 C THR A 18 20.520 -78.076 2.827 1.00 64.98 C +ATOM 123 O THR A 18 19.411 -78.133 2.303 1.00 61.12 O +ATOM 124 CB THR A 18 22.270 -77.767 1.048 1.00 67.45 C +ATOM 125 OG1 THR A 18 23.295 -78.407 0.326 1.00 63.92 O +ATOM 126 CG2 THR A 18 22.842 -76.453 1.573 1.00 63.36 C +ATOM 127 N GLY A 19 20.700 -77.496 4.007 1.00 59.85 N +ATOM 128 CA GLY A 19 19.631 -76.797 4.720 1.00 60.80 C +ATOM 129 C GLY A 19 19.114 -75.594 3.918 1.00 61.43 C +ATOM 130 O GLY A 19 19.888 -74.936 3.221 1.00 59.42 O +ATOM 131 N PRO A 20 17.819 -75.257 4.005 1.00 60.69 N +ATOM 132 CA PRO A 20 17.260 -74.104 3.317 1.00 63.14 C +ATOM 133 C PRO A 20 17.836 -72.792 3.875 1.00 59.76 C +ATOM 134 O PRO A 20 18.077 -72.682 5.082 1.00 58.08 O +ATOM 135 CB PRO A 20 15.743 -74.189 3.512 1.00 63.03 C +ATOM 136 CG PRO A 20 15.604 -74.954 4.821 1.00 61.64 C +ATOM 137 CD PRO A 20 16.791 -75.925 4.793 1.00 62.68 C +ATOM 138 N ALA A 21 17.990 -71.768 3.016 1.00 67.76 N +ATOM 139 CA ALA A 21 18.407 -70.427 3.432 1.00 70.51 C +ATOM 140 C ALA A 21 17.380 -69.791 4.389 1.00 68.58 C +ATOM 141 O ALA A 21 16.172 -69.978 4.241 1.00 64.83 O +ATOM 142 CB ALA A 21 18.626 -69.553 2.189 1.00 68.23 C +ATOM 143 N GLY A 22 17.862 -69.018 5.367 1.00 59.97 N +ATOM 144 CA GLY A 22 17.005 -68.267 6.283 1.00 61.87 C +ATOM 145 C GLY A 22 16.164 -67.205 5.546 1.00 62.41 C +ATOM 146 O GLY A 22 16.614 -66.660 4.534 1.00 59.98 O +ATOM 147 N PRO A 23 14.951 -66.883 6.040 1.00 59.79 N +ATOM 148 CA PRO A 23 14.110 -65.861 5.430 1.00 62.67 C +ATOM 149 C PRO A 23 14.758 -64.473 5.528 1.00 60.67 C +ATOM 150 O PRO A 23 15.431 -64.148 6.501 1.00 58.77 O +ATOM 151 CB PRO A 23 12.768 -65.926 6.170 1.00 61.83 C +ATOM 152 CG PRO A 23 13.154 -66.463 7.546 1.00 59.98 C +ATOM 153 CD PRO A 23 14.317 -67.413 7.246 1.00 60.99 C +ATOM 154 N ARG A 24 14.521 -63.583 4.505 1.00 58.95 N +ATOM 155 CA ARG A 24 14.975 -62.190 4.489 1.00 63.56 C +ATOM 156 C ARG A 24 14.271 -61.383 5.588 1.00 60.49 C +ATOM 157 O ARG A 24 13.063 -61.505 5.751 1.00 57.60 O +ATOM 158 CB ARG A 24 14.723 -61.602 3.088 1.00 62.34 C +ATOM 159 CG ARG A 24 15.228 -60.153 2.922 1.00 58.56 C +ATOM 160 CD ARG A 24 14.983 -59.652 1.499 1.00 59.13 C +ATOM 161 NE ARG A 24 15.391 -58.246 1.343 1.00 56.56 N +ATOM 162 CZ ARG A 24 15.476 -57.556 0.213 1.00 50.44 C +ATOM 163 NH1 ARG A 24 15.131 -58.044 -0.947 1.00 51.07 N +ATOM 164 NH2 ARG A 24 15.931 -56.336 0.220 1.00 49.56 N +ATOM 165 N GLY A 25 15.001 -60.552 6.321 1.00 58.29 N +ATOM 166 CA GLY A 25 14.433 -59.609 7.287 1.00 59.69 C +ATOM 167 C GLY A 25 13.519 -58.571 6.610 1.00 59.74 C +ATOM 168 O GLY A 25 13.768 -58.167 5.475 1.00 56.95 O +ATOM 169 N LEU A 26 12.439 -58.131 7.301 1.00 55.50 N +ATOM 170 CA LEU A 26 11.513 -57.112 6.791 1.00 59.45 C +ATOM 171 C LEU A 26 12.166 -55.724 6.826 1.00 57.91 C +ATOM 172 O LEU A 26 12.864 -55.379 7.772 1.00 56.22 O +ATOM 173 CB LEU A 26 10.198 -57.125 7.589 1.00 58.45 C +ATOM 174 CG LEU A 26 9.368 -58.424 7.452 1.00 55.19 C +ATOM 175 CD1 LEU A 26 8.151 -58.361 8.369 1.00 53.37 C +ATOM 176 CD2 LEU A 26 8.874 -58.651 6.022 1.00 52.02 C +ATOM 177 N GLN A 27 11.906 -54.898 5.794 1.00 59.90 N +ATOM 178 CA GLN A 27 12.350 -53.505 5.743 1.00 63.10 C +ATOM 179 C GLN A 27 11.612 -52.668 6.799 1.00 60.38 C +ATOM 180 O GLN A 27 10.405 -52.779 6.946 1.00 57.51 O +ATOM 181 CB GLN A 27 12.140 -52.974 4.316 1.00 62.02 C +ATOM 182 CG GLN A 27 12.727 -51.567 4.079 1.00 59.05 C +ATOM 183 CD GLN A 27 12.601 -51.117 2.622 1.00 56.85 C +ATOM 184 OE1 GLN A 27 12.078 -51.818 1.766 1.00 55.93 O +ATOM 185 NE2 GLN A 27 13.081 -49.940 2.271 1.00 51.73 N +ATOM 186 N GLY A 28 12.338 -51.815 7.527 1.00 57.71 N +ATOM 187 CA GLY A 28 11.744 -50.868 8.475 1.00 59.32 C +ATOM 188 C GLY A 28 10.855 -49.833 7.773 1.00 59.31 C +ATOM 189 O GLY A 28 11.155 -49.390 6.672 1.00 56.93 O +ATOM 190 N LEU A 29 9.732 -49.421 8.423 1.00 55.03 N +ATOM 191 CA LEU A 29 8.826 -48.407 7.880 1.00 59.09 C +ATOM 192 C LEU A 29 9.476 -47.012 7.958 1.00 58.24 C +ATOM 193 O LEU A 29 10.094 -46.656 8.957 1.00 56.79 O +ATOM 194 CB LEU A 29 7.484 -48.429 8.622 1.00 57.67 C +ATOM 195 CG LEU A 29 6.659 -49.723 8.428 1.00 54.32 C +ATOM 196 CD1 LEU A 29 5.409 -49.672 9.303 1.00 52.60 C +ATOM 197 CD2 LEU A 29 6.220 -49.921 6.983 1.00 51.03 C +ATOM 198 N GLN A 30 9.296 -46.194 6.899 1.00 60.20 N +ATOM 199 CA GLN A 30 9.750 -44.804 6.881 1.00 63.72 C +ATOM 200 C GLN A 30 8.945 -43.959 7.881 1.00 61.59 C +ATOM 201 O GLN A 30 7.724 -44.053 7.939 1.00 58.30 O +ATOM 202 CB GLN A 30 9.642 -44.271 5.445 1.00 62.14 C +ATOM 203 CG GLN A 30 10.250 -42.864 5.273 1.00 58.42 C +ATOM 204 CD GLN A 30 10.221 -42.386 3.821 1.00 56.26 C +ATOM 205 OE1 GLN A 30 9.728 -43.042 2.923 1.00 55.24 O +ATOM 206 NE2 GLN A 30 10.757 -41.219 3.525 1.00 51.03 N +ATOM 207 N GLY A 31 9.622 -43.110 8.656 1.00 55.92 N +ATOM 208 CA GLY A 31 8.974 -42.160 9.559 1.00 57.53 C +ATOM 209 C GLY A 31 8.145 -41.119 8.795 1.00 57.72 C +ATOM 210 O GLY A 31 8.550 -40.649 7.737 1.00 55.61 O +ATOM 211 N LEU A 32 6.969 -40.730 9.341 1.00 55.13 N +ATOM 212 CA LEU A 32 6.114 -39.711 8.736 1.00 58.95 C +ATOM 213 C LEU A 32 6.765 -38.325 8.847 1.00 58.60 C +ATOM 214 O LEU A 32 7.322 -37.969 9.887 1.00 57.23 O +ATOM 215 CB LEU A 32 4.716 -39.717 9.378 1.00 57.50 C +ATOM 216 CG LEU A 32 3.898 -41.004 9.141 1.00 53.87 C +ATOM 217 CD1 LEU A 32 2.585 -40.937 9.920 1.00 51.82 C +ATOM 218 CD2 LEU A 32 3.565 -41.222 7.665 1.00 50.69 C +ATOM 219 N GLN A 33 6.656 -37.509 7.782 1.00 62.54 N +ATOM 220 CA GLN A 33 7.119 -36.127 7.804 1.00 66.52 C +ATOM 221 C GLN A 33 6.260 -35.298 8.763 1.00 64.77 C +ATOM 222 O GLN A 33 5.035 -35.394 8.737 1.00 61.45 O +ATOM 223 CB GLN A 33 7.104 -35.571 6.370 1.00 64.09 C +ATOM 224 CG GLN A 33 7.714 -34.158 6.287 1.00 59.40 C +ATOM 225 CD GLN A 33 7.798 -33.623 4.860 1.00 57.21 C +ATOM 226 OE1 GLN A 33 7.437 -34.251 3.883 1.00 55.99 O +ATOM 227 NE2 GLN A 33 8.294 -32.413 4.682 1.00 51.99 N +ATOM 228 N GLY A 34 6.883 -34.451 9.589 1.00 56.23 N +ATOM 229 CA GLY A 34 6.172 -33.526 10.471 1.00 58.31 C +ATOM 230 C GLY A 34 5.326 -32.515 9.687 1.00 59.32 C +ATOM 231 O GLY A 34 5.749 -32.020 8.643 1.00 57.08 O +ATOM 232 N GLU A 35 4.130 -32.181 10.207 1.00 50.64 N +ATOM 233 CA GLU A 35 3.241 -31.195 9.586 1.00 55.83 C +ATOM 234 C GLU A 35 3.860 -29.798 9.614 1.00 55.04 C +ATOM 235 O GLU A 35 4.579 -29.411 10.545 1.00 54.12 O +ATOM 236 CB GLU A 35 1.858 -31.201 10.251 1.00 54.62 C +ATOM 237 CG GLU A 35 1.117 -32.543 10.022 1.00 50.10 C +ATOM 238 CD GLU A 35 -0.328 -32.542 10.552 1.00 46.94 C +ATOM 239 OE1 GLU A 35 -1.065 -33.472 10.150 1.00 45.10 O +ATOM 240 OE2 GLU A 35 -0.665 -31.642 11.341 1.00 44.59 O +ATOM 241 N ARG A 36 3.591 -29.010 8.559 1.00 60.19 N +ATOM 242 CA ARG A 36 4.039 -27.618 8.501 1.00 64.37 C +ATOM 243 C ARG A 36 3.262 -26.796 9.525 1.00 61.99 C +ATOM 244 O ARG A 36 2.044 -26.866 9.556 1.00 59.37 O +ATOM 245 CB ARG A 36 3.850 -27.088 7.067 1.00 62.59 C +ATOM 246 CG ARG A 36 4.357 -25.643 6.907 1.00 57.94 C +ATOM 247 CD ARG A 36 4.194 -25.198 5.458 1.00 57.90 C +ATOM 248 NE ARG A 36 4.627 -23.802 5.267 1.00 56.52 N +ATOM 249 CZ ARG A 36 4.625 -23.135 4.120 1.00 51.28 C +ATOM 250 NH1 ARG A 36 4.248 -23.705 3.009 1.00 51.52 N +ATOM 251 NH2 ARG A 36 4.988 -21.892 4.083 1.00 50.40 N +ATOM 252 N GLY A 37 3.957 -25.973 10.301 1.00 55.15 N +ATOM 253 CA GLY A 37 3.309 -25.057 11.238 1.00 56.96 C +ATOM 254 C GLY A 37 2.350 -24.092 10.533 1.00 57.83 C +ATOM 255 O GLY A 37 2.603 -23.657 9.409 1.00 55.66 O +ATOM 256 N GLU A 38 1.244 -23.741 11.217 1.00 49.26 N +ATOM 257 CA GLU A 38 0.237 -22.815 10.700 1.00 54.37 C +ATOM 258 C GLU A 38 0.835 -21.419 10.479 1.00 53.02 C +ATOM 259 O GLU A 38 1.747 -20.970 11.180 1.00 52.27 O +ATOM 260 CB GLU A 38 -0.979 -22.735 11.632 1.00 53.61 C +ATOM 261 CG GLU A 38 -1.750 -24.073 11.710 1.00 49.22 C +ATOM 262 CD GLU A 38 -3.054 -23.965 12.518 1.00 46.21 C +ATOM 263 OE1 GLU A 38 -3.897 -24.890 12.367 1.00 44.56 O +ATOM 264 OE2 GLU A 38 -3.220 -22.979 13.263 1.00 44.26 O +ATOM 265 N GLN A 39 0.323 -20.717 9.459 1.00 57.97 N +ATOM 266 CA GLN A 39 0.713 -19.337 9.209 1.00 61.08 C +ATOM 267 C GLN A 39 0.179 -18.441 10.328 1.00 58.65 C +ATOM 268 O GLN A 39 -0.986 -18.544 10.695 1.00 56.27 O +ATOM 269 CB GLN A 39 0.225 -18.917 7.816 1.00 60.64 C +ATOM 270 CG GLN A 39 0.687 -17.510 7.429 1.00 57.95 C +ATOM 271 CD GLN A 39 0.335 -17.127 5.993 1.00 55.76 C +ATOM 272 OE1 GLN A 39 -0.166 -17.902 5.195 1.00 56.71 O +ATOM 273 NE2 GLN A 39 0.613 -15.906 5.599 1.00 52.59 N +ATOM 274 N GLY A 40 1.010 -17.544 10.846 1.00 53.25 N +ATOM 275 CA GLY A 40 0.580 -16.574 11.846 1.00 54.69 C +ATOM 276 C GLY A 40 -0.557 -15.679 11.336 1.00 54.24 C +ATOM 277 O GLY A 40 -0.656 -15.434 10.129 1.00 52.48 O +ATOM 278 N PRO A 41 -1.422 -15.156 12.243 1.00 54.28 N +ATOM 279 CA PRO A 41 -2.534 -14.304 11.855 1.00 57.22 C +ATOM 280 C PRO A 41 -2.031 -13.022 11.184 1.00 55.02 C +ATOM 281 O PRO A 41 -0.988 -12.470 11.552 1.00 54.11 O +ATOM 282 CB PRO A 41 -3.300 -14.008 13.149 1.00 57.13 C +ATOM 283 CG PRO A 41 -2.233 -14.163 14.234 1.00 56.02 C +ATOM 284 CD PRO A 41 -1.347 -15.285 13.683 1.00 58.27 C +ATOM 285 N THR A 42 -2.798 -12.518 10.205 1.00 57.16 N +ATOM 286 CA THR A 42 -2.506 -11.244 9.552 1.00 58.90 C +ATOM 287 C THR A 42 -2.525 -10.110 10.583 1.00 56.09 C +ATOM 288 O THR A 42 -3.429 -10.041 11.412 1.00 54.34 O +ATOM 289 CB THR A 42 -3.521 -10.948 8.441 1.00 58.86 C +ATOM 290 OG1 THR A 42 -3.589 -12.046 7.553 1.00 55.09 O +ATOM 291 CG2 THR A 42 -3.178 -9.727 7.604 1.00 54.91 C +ATOM 292 N GLY A 43 -1.543 -9.212 10.523 1.00 51.49 N +ATOM 293 CA GLY A 43 -1.489 -8.040 11.390 1.00 53.74 C +ATOM 294 C GLY A 43 -2.741 -7.151 11.246 1.00 53.50 C +ATOM 295 O GLY A 43 -3.368 -7.116 10.186 1.00 52.21 O +ATOM 296 N PRO A 44 -3.119 -6.405 12.314 1.00 52.77 N +ATOM 297 CA PRO A 44 -4.269 -5.514 12.264 1.00 56.34 C +ATOM 298 C PRO A 44 -4.079 -4.433 11.193 1.00 54.18 C +ATOM 299 O PRO A 44 -2.965 -3.978 10.936 1.00 53.72 O +ATOM 300 CB PRO A 44 -4.399 -4.922 13.672 1.00 56.63 C +ATOM 301 CG PRO A 44 -2.973 -4.994 14.215 1.00 55.43 C +ATOM 302 CD PRO A 44 -2.424 -6.280 13.580 1.00 57.22 C +ATOM 303 N ALA A 45 -5.196 -3.995 10.590 1.00 57.68 N +ATOM 304 CA ALA A 45 -5.164 -2.898 9.632 1.00 60.52 C +ATOM 305 C ALA A 45 -4.601 -1.621 10.285 1.00 59.59 C +ATOM 306 O ALA A 45 -4.902 -1.319 11.442 1.00 57.29 O +ATOM 307 CB ALA A 45 -6.568 -2.666 9.074 1.00 59.20 C +ATOM 308 N GLY A 46 -3.799 -0.868 9.526 1.00 52.77 N +ATOM 309 CA GLY A 46 -3.284 0.414 9.983 1.00 55.75 C +ATOM 310 C GLY A 46 -4.401 1.411 10.322 1.00 56.40 C +ATOM 311 O GLY A 46 -5.501 1.327 9.757 1.00 54.95 O +ATOM 312 N PRO A 47 -4.154 2.369 11.245 1.00 56.47 N +ATOM 313 CA PRO A 47 -5.137 3.372 11.617 1.00 60.49 C +ATOM 314 C PRO A 47 -5.558 4.198 10.392 1.00 59.29 C +ATOM 315 O PRO A 47 -4.769 4.450 9.478 1.00 57.91 O +ATOM 316 CB PRO A 47 -4.474 4.226 12.699 1.00 59.91 C +ATOM 317 CG PRO A 47 -2.984 4.065 12.407 1.00 58.09 C +ATOM 318 CD PRO A 47 -2.878 2.634 11.884 1.00 60.00 C +ATOM 319 N ARG A 48 -6.822 4.634 10.386 1.00 57.89 N +ATOM 320 CA ARG A 48 -7.328 5.513 9.328 1.00 61.57 C +ATOM 321 C ARG A 48 -6.562 6.832 9.344 1.00 59.86 C +ATOM 322 O ARG A 48 -6.425 7.431 10.407 1.00 57.17 O +ATOM 323 CB ARG A 48 -8.836 5.714 9.530 1.00 59.98 C +ATOM 324 CG ARG A 48 -9.467 6.517 8.389 1.00 54.75 C +ATOM 325 CD ARG A 48 -10.975 6.651 8.620 1.00 54.47 C +ATOM 326 NE ARG A 48 -11.613 7.427 7.553 1.00 52.44 N +ATOM 327 CZ ARG A 48 -12.912 7.691 7.455 1.00 46.66 C +ATOM 328 NH1 ARG A 48 -13.768 7.271 8.344 1.00 47.15 N +ATOM 329 NH2 ARG A 48 -13.361 8.392 6.458 1.00 45.95 N +ATOM 330 N GLY A 49 -6.121 7.285 8.166 1.00 53.97 N +ATOM 331 CA GLY A 49 -5.486 8.599 8.030 1.00 56.25 C +ATOM 332 C GLY A 49 -6.373 9.723 8.576 1.00 56.71 C +ATOM 333 O GLY A 49 -7.603 9.661 8.473 1.00 54.82 O +ATOM 334 N LEU A 50 -5.749 10.742 9.190 1.00 58.34 N +ATOM 335 CA LEU A 50 -6.455 11.887 9.743 1.00 62.38 C +ATOM 336 C LEU A 50 -7.215 12.621 8.630 1.00 61.81 C +ATOM 337 O LEU A 50 -6.764 12.701 7.486 1.00 59.91 O +ATOM 338 CB LEU A 50 -5.485 12.817 10.488 1.00 60.77 C +ATOM 339 CG LEU A 50 -4.833 12.204 11.746 1.00 57.18 C +ATOM 340 CD1 LEU A 50 -3.828 13.181 12.350 1.00 55.20 C +ATOM 341 CD2 LEU A 50 -5.857 11.847 12.823 1.00 53.77 C +ATOM 342 N GLN A 51 -8.404 13.129 8.972 1.00 61.70 N +ATOM 343 CA GLN A 51 -9.158 13.962 8.040 1.00 65.22 C +ATOM 344 C GLN A 51 -8.360 15.243 7.767 1.00 63.78 C +ATOM 345 O GLN A 51 -7.926 15.889 8.710 1.00 60.27 O +ATOM 346 CB GLN A 51 -10.552 14.235 8.627 1.00 62.77 C +ATOM 347 CG GLN A 51 -11.431 15.041 7.665 1.00 58.01 C +ATOM 348 CD GLN A 51 -12.875 15.211 8.163 1.00 56.23 C +ATOM 349 OE1 GLN A 51 -13.310 14.667 9.165 1.00 54.90 O +ATOM 350 NE2 GLN A 51 -13.681 15.955 7.456 1.00 51.14 N +ATOM 351 N GLY A 52 -8.202 15.591 6.486 1.00 56.10 N +ATOM 352 CA GLY A 52 -7.555 16.842 6.114 1.00 58.31 C +ATOM 353 C GLY A 52 -8.240 18.047 6.776 1.00 59.33 C +ATOM 354 O GLY A 52 -9.466 18.064 6.919 1.00 57.25 O +ATOM 355 N GLU A 53 -7.442 19.036 7.198 1.00 55.34 N +ATOM 356 CA GLU A 53 -7.951 20.248 7.832 1.00 59.72 C +ATOM 357 C GLU A 53 -8.920 20.978 6.896 1.00 59.21 C +ATOM 358 O GLU A 53 -8.811 20.939 5.665 1.00 58.26 O +ATOM 359 CB GLU A 53 -6.808 21.169 8.280 1.00 58.30 C +ATOM 360 CG GLU A 53 -5.954 20.503 9.388 1.00 53.70 C +ATOM 361 CD GLU A 53 -4.924 21.461 10.014 1.00 50.94 C +ATOM 362 OE1 GLU A 53 -4.448 21.113 11.120 1.00 48.62 O +ATOM 363 OE2 GLU A 53 -4.645 22.509 9.404 1.00 47.29 O +ATOM 364 N ARG A 54 -9.934 21.607 7.501 1.00 63.59 N +ATOM 365 CA ARG A 54 -10.872 22.421 6.732 1.00 67.18 C +ATOM 366 C ARG A 54 -10.110 23.595 6.136 1.00 65.86 C +ATOM 367 O ARG A 54 -9.437 24.299 6.864 1.00 61.94 O +ATOM 368 CB ARG A 54 -12.024 22.868 7.640 1.00 64.29 C +ATOM 369 CG ARG A 54 -13.093 23.660 6.862 1.00 58.48 C +ATOM 370 CD ARG A 54 -14.230 24.052 7.801 1.00 59.61 C +ATOM 371 NE ARG A 54 -15.273 24.809 7.101 1.00 56.57 N +ATOM 372 CZ ARG A 54 -16.392 25.267 7.632 1.00 51.49 C +ATOM 373 NH1 ARG A 54 -16.684 25.077 8.882 1.00 51.37 N +ATOM 374 NH2 ARG A 54 -17.239 25.936 6.899 1.00 49.70 N +ATOM 375 N GLY A 55 -10.258 23.801 4.826 1.00 58.75 N +ATOM 376 CA GLY A 55 -9.660 24.963 4.173 1.00 60.09 C +ATOM 377 C GLY A 55 -10.067 26.268 4.870 1.00 60.82 C +ATOM 378 O GLY A 55 -11.211 26.407 5.317 1.00 58.51 O +ATOM 379 N GLU A 56 -9.121 27.218 4.975 1.00 56.97 N +ATOM 380 CA GLU A 56 -9.363 28.521 5.586 1.00 61.36 C +ATOM 381 C GLU A 56 -10.501 29.255 4.863 1.00 60.32 C +ATOM 382 O GLU A 56 -10.688 29.141 3.645 1.00 59.19 O +ATOM 383 CB GLU A 56 -8.089 29.378 5.598 1.00 59.84 C +ATOM 384 CG GLU A 56 -6.988 28.783 6.500 1.00 55.27 C +ATOM 385 CD GLU A 56 -5.776 29.731 6.664 1.00 52.89 C +ATOM 386 OE1 GLU A 56 -5.004 29.494 7.617 1.00 50.31 O +ATOM 387 OE2 GLU A 56 -5.658 30.678 5.856 1.00 48.98 O +ATOM 388 N GLN A 57 -11.296 29.983 5.646 1.00 65.26 N +ATOM 389 CA GLN A 57 -12.350 30.806 5.070 1.00 68.26 C +ATOM 390 C GLN A 57 -11.715 31.894 4.208 1.00 67.79 C +ATOM 391 O GLN A 57 -10.811 32.593 4.659 1.00 63.95 O +ATOM 392 CB GLN A 57 -13.235 31.369 6.195 1.00 65.67 C +ATOM 393 CG GLN A 57 -14.423 32.163 5.644 1.00 61.29 C +ATOM 394 CD GLN A 57 -15.399 32.625 6.725 1.00 59.91 C +ATOM 395 OE1 GLN A 57 -15.306 32.319 7.904 1.00 58.22 O +ATOM 396 NE2 GLN A 57 -16.406 33.375 6.365 1.00 54.16 N +ATOM 397 N GLY A 58 -12.190 32.032 2.983 1.00 57.27 N +ATOM 398 CA GLY A 58 -11.721 33.099 2.108 1.00 58.45 C +ATOM 399 C GLY A 58 -11.878 34.483 2.759 1.00 58.21 C +ATOM 400 O GLY A 58 -12.804 34.684 3.559 1.00 56.11 O +ATOM 401 N PRO A 59 -11.005 35.450 2.434 1.00 57.69 N +ATOM 402 CA PRO A 59 -11.056 36.788 3.007 1.00 62.33 C +ATOM 403 C PRO A 59 -12.416 37.438 2.735 1.00 60.40 C +ATOM 404 O PRO A 59 -13.025 37.238 1.675 1.00 59.15 O +ATOM 405 CB PRO A 59 -9.895 37.569 2.376 1.00 62.28 C +ATOM 406 CG PRO A 59 -9.653 36.837 1.055 1.00 61.46 C +ATOM 407 CD PRO A 59 -9.978 35.376 1.405 1.00 64.34 C +ATOM 408 N THR A 60 -12.903 38.218 3.707 1.00 64.79 N +ATOM 409 CA THR A 60 -14.129 38.993 3.527 1.00 66.22 C +ATOM 410 C THR A 60 -13.947 39.958 2.353 1.00 64.06 C +ATOM 411 O THR A 60 -12.940 40.660 2.289 1.00 60.38 O +ATOM 412 CB THR A 60 -14.490 39.774 4.799 1.00 64.60 C +ATOM 413 OG1 THR A 60 -14.563 38.893 5.897 1.00 60.52 O +ATOM 414 CG2 THR A 60 -15.841 40.479 4.714 1.00 61.22 C +ATOM 415 N GLY A 61 -14.919 39.994 1.448 1.00 54.29 N +ATOM 416 CA GLY A 61 -14.904 40.948 0.346 1.00 56.19 C +ATOM 417 C GLY A 61 -14.780 42.393 0.854 1.00 55.97 C +ATOM 418 O GLY A 61 -15.336 42.747 1.894 1.00 54.29 O +ATOM 419 N LEU A 62 -14.033 43.216 0.113 1.00 56.96 N +ATOM 420 CA LEU A 62 -13.850 44.625 0.452 1.00 61.57 C +ATOM 421 C LEU A 62 -15.206 45.334 0.491 1.00 59.50 C +ATOM 422 O LEU A 62 -16.092 45.061 -0.316 1.00 57.91 O +ATOM 423 CB LEU A 62 -12.890 45.296 -0.545 1.00 60.56 C +ATOM 424 CG LEU A 62 -11.433 44.780 -0.506 1.00 58.07 C +ATOM 425 CD1 LEU A 62 -10.624 45.435 -1.625 1.00 56.34 C +ATOM 426 CD2 LEU A 62 -10.747 45.089 0.823 1.00 55.15 C +ATOM 427 N ALA A 63 -15.369 46.257 1.446 1.00 64.20 N +ATOM 428 CA ALA A 63 -16.561 47.091 1.496 1.00 66.25 C +ATOM 429 C ALA A 63 -16.701 47.889 0.187 1.00 64.98 C +ATOM 430 O ALA A 63 -15.712 48.422 -0.328 1.00 61.41 O +ATOM 431 CB ALA A 63 -16.493 48.015 2.722 1.00 63.78 C +ATOM 432 N GLY A 64 -17.929 47.974 -0.321 1.00 55.27 N +ATOM 433 CA GLY A 64 -18.217 48.810 -1.483 1.00 57.37 C +ATOM 434 C GLY A 64 -17.834 50.266 -1.211 1.00 57.32 C +ATOM 435 O GLY A 64 -17.955 50.754 -0.086 1.00 55.65 O +ATOM 436 N LYS A 65 -17.343 50.945 -2.241 1.00 54.62 N +ATOM 437 CA LYS A 65 -16.991 52.368 -2.136 1.00 59.86 C +ATOM 438 C LYS A 65 -18.226 53.164 -1.721 1.00 56.94 C +ATOM 439 O LYS A 65 -19.341 52.874 -2.169 1.00 56.96 O +ATOM 440 CB LYS A 65 -16.408 52.893 -3.450 1.00 59.48 C +ATOM 441 CG LYS A 65 -15.039 52.274 -3.790 1.00 56.44 C +ATOM 442 CD LYS A 65 -14.491 52.878 -5.083 1.00 55.53 C +ATOM 443 CE LYS A 65 -13.138 52.265 -5.448 1.00 52.29 C +ATOM 444 NZ LYS A 65 -12.616 52.822 -6.723 1.00 46.57 N +ATOM 445 N ALA A 66 -18.040 54.169 -0.865 1.00 61.33 N +ATOM 446 CA ALA A 66 -19.105 55.105 -0.552 1.00 63.54 C +ATOM 447 C ALA A 66 -19.578 55.806 -1.844 1.00 62.92 C +ATOM 448 O ALA A 66 -18.757 56.157 -2.687 1.00 60.13 O +ATOM 449 CB ALA A 66 -18.613 56.117 0.497 1.00 61.36 C +ATOM 450 N GLY A 67 -20.898 55.990 -1.959 1.00 56.07 N +ATOM 451 CA GLY A 67 -21.449 56.756 -3.069 1.00 58.41 C +ATOM 452 C GLY A 67 -20.922 58.194 -3.070 1.00 59.55 C +ATOM 453 O GLY A 67 -20.644 58.766 -2.019 1.00 57.68 O +ATOM 454 N GLU A 68 -20.780 58.769 -4.259 1.00 49.59 N +ATOM 455 CA GLU A 68 -20.357 60.158 -4.407 1.00 53.61 C +ATOM 456 C GLU A 68 -21.348 61.108 -3.735 1.00 51.51 C +ATOM 457 O GLU A 68 -22.564 60.863 -3.686 1.00 51.56 O +ATOM 458 CB GLU A 68 -20.149 60.519 -5.888 1.00 54.42 C +ATOM 459 CG GLU A 68 -18.978 59.713 -6.504 1.00 50.85 C +ATOM 460 CD GLU A 68 -18.645 60.120 -7.949 1.00 48.85 C +ATOM 461 OE1 GLU A 68 -17.543 59.718 -8.406 1.00 48.00 O +ATOM 462 OE2 GLU A 68 -19.466 60.805 -8.583 1.00 47.41 O +ATOM 463 N ALA A 69 -20.835 62.185 -3.159 1.00 60.65 N +ATOM 464 CA ALA A 69 -21.685 63.216 -2.574 1.00 62.31 C +ATOM 465 C ALA A 69 -22.572 63.843 -3.667 1.00 61.29 C +ATOM 466 O ALA A 69 -22.110 64.133 -4.763 1.00 58.90 O +ATOM 467 CB ALA A 69 -20.805 64.273 -1.885 1.00 60.69 C +ATOM 468 N GLY A 70 -23.841 64.075 -3.316 1.00 55.25 N +ATOM 469 CA GLY A 70 -24.754 64.747 -4.227 1.00 57.01 C +ATOM 470 C GLY A 70 -24.253 66.138 -4.627 1.00 57.75 C +ATOM 471 O GLY A 70 -23.603 66.836 -3.844 1.00 55.92 O +ATOM 472 N ALA A 71 -24.564 66.530 -5.849 1.00 54.47 N +ATOM 473 CA ALA A 71 -24.202 67.845 -6.356 1.00 58.91 C +ATOM 474 C ALA A 71 -24.790 68.951 -5.461 1.00 58.47 C +ATOM 475 O ALA A 71 -25.892 68.830 -4.916 1.00 57.47 O +ATOM 476 CB ALA A 71 -24.654 67.966 -7.819 1.00 57.74 C +ATOM 477 N LYS A 72 -24.051 70.060 -5.302 1.00 59.52 N +ATOM 478 CA LYS A 72 -24.544 71.227 -4.569 1.00 64.20 C +ATOM 479 C LYS A 72 -25.769 71.794 -5.281 1.00 62.92 C +ATOM 480 O LYS A 72 -25.723 72.004 -6.488 1.00 61.32 O +ATOM 481 CB LYS A 72 -23.410 72.255 -4.457 1.00 62.03 C +ATOM 482 CG LYS A 72 -23.798 73.474 -3.611 1.00 56.37 C +ATOM 483 CD LYS A 72 -22.624 74.447 -3.526 1.00 56.43 C +ATOM 484 CE LYS A 72 -23.019 75.687 -2.728 1.00 54.20 C +ATOM 485 NZ LYS A 72 -21.922 76.681 -2.724 1.00 48.67 N +ATOM 486 N GLY A 73 -26.838 72.073 -4.531 1.00 55.49 N +ATOM 487 CA GLY A 73 -28.033 72.697 -5.084 1.00 57.81 C +ATOM 488 C GLY A 73 -27.718 74.037 -5.749 1.00 59.38 C +ATOM 489 O GLY A 73 -26.840 74.779 -5.297 1.00 57.52 O +ATOM 490 N GLU A 74 -28.450 74.349 -6.815 1.00 50.49 N +ATOM 491 CA GLU A 74 -28.314 75.618 -7.529 1.00 54.61 C +ATOM 492 C GLU A 74 -28.695 76.789 -6.627 1.00 53.19 C +ATOM 493 O GLU A 74 -29.520 76.692 -5.717 1.00 52.87 O +ATOM 494 CB GLU A 74 -29.139 75.607 -8.828 1.00 54.86 C +ATOM 495 CG GLU A 74 -28.619 74.559 -9.827 1.00 51.54 C +ATOM 496 CD GLU A 74 -29.309 74.631 -11.209 1.00 49.14 C +ATOM 497 OE1 GLU A 74 -28.748 74.044 -12.159 1.00 48.67 O +ATOM 498 OE2 GLU A 74 -30.380 75.281 -11.298 1.00 47.65 O +ATOM 499 N THR A 75 -28.046 77.929 -6.846 1.00 63.17 N +ATOM 500 CA THR A 75 -28.396 79.164 -6.142 1.00 64.24 C +ATOM 501 C THR A 75 -29.788 79.604 -6.589 1.00 61.53 C +ATOM 502 O THR A 75 -30.043 79.677 -7.786 1.00 59.07 O +ATOM 503 CB THR A 75 -27.361 80.266 -6.406 1.00 63.54 C +ATOM 504 OG1 THR A 75 -26.074 79.804 -6.037 1.00 58.82 O +ATOM 505 CG2 THR A 75 -27.618 81.535 -5.599 1.00 58.57 C +ATOM 506 N GLY A 76 -30.658 79.909 -5.631 1.00 56.58 N +ATOM 507 CA GLY A 76 -31.986 80.424 -5.958 1.00 57.70 C +ATOM 508 C GLY A 76 -31.920 81.690 -6.824 1.00 58.12 C +ATOM 509 O GLY A 76 -30.946 82.447 -6.748 1.00 56.58 O +ATOM 510 N PRO A 77 -32.970 81.963 -7.643 1.00 57.88 N +ATOM 511 CA PRO A 77 -33.015 83.138 -8.503 1.00 61.00 C +ATOM 512 C PRO A 77 -32.958 84.422 -7.666 1.00 58.56 C +ATOM 513 O PRO A 77 -33.393 84.473 -6.516 1.00 57.88 O +ATOM 514 CB PRO A 77 -34.320 83.018 -9.301 1.00 61.30 C +ATOM 515 CG PRO A 77 -35.208 82.169 -8.404 1.00 60.03 C +ATOM 516 CD PRO A 77 -34.216 81.214 -7.736 1.00 63.27 C +ATOM 517 N ALA A 78 -32.429 85.492 -8.258 1.00 61.67 N +ATOM 518 CA ALA A 78 -32.454 86.798 -7.617 1.00 63.22 C +ATOM 519 C ALA A 78 -33.903 87.256 -7.389 1.00 62.19 C +ATOM 520 O ALA A 78 -34.761 87.058 -8.245 1.00 59.56 O +ATOM 521 CB ALA A 78 -31.668 87.809 -8.477 1.00 61.65 C +ATOM 522 N GLY A 79 -34.140 87.881 -6.237 1.00 57.45 N +ATOM 523 CA GLY A 79 -35.456 88.443 -5.947 1.00 59.16 C +ATOM 524 C GLY A 79 -35.870 89.492 -6.984 1.00 60.32 C +ATOM 525 O GLY A 79 -35.010 90.130 -7.601 1.00 59.10 O +ATOM 526 N PRO A 80 -37.188 89.722 -7.185 1.00 60.45 N +ATOM 527 CA PRO A 80 -37.689 90.693 -8.144 1.00 63.88 C +ATOM 528 C PRO A 80 -37.202 92.105 -7.785 1.00 62.89 C +ATOM 529 O PRO A 80 -37.030 92.456 -6.617 1.00 61.86 O +ATOM 530 CB PRO A 80 -39.218 90.566 -8.101 1.00 63.34 C +ATOM 531 CG PRO A 80 -39.486 90.016 -6.704 1.00 61.19 C +ATOM 532 CD PRO A 80 -38.285 89.116 -6.442 1.00 64.04 C +ATOM 533 N GLN A 81 -36.999 92.934 -8.799 1.00 59.60 N +ATOM 534 CA GLN A 81 -36.673 94.344 -8.590 1.00 62.53 C +ATOM 535 C GLN A 81 -37.825 95.044 -7.871 1.00 61.06 C +ATOM 536 O GLN A 81 -38.993 94.857 -8.222 1.00 58.86 O +ATOM 537 CB GLN A 81 -36.368 94.992 -9.949 1.00 61.56 C +ATOM 538 CG GLN A 81 -35.895 96.453 -9.806 1.00 57.81 C +ATOM 539 CD GLN A 81 -35.509 97.096 -11.138 1.00 56.51 C +ATOM 540 OE1 GLN A 81 -35.508 96.498 -12.195 1.00 56.67 O +ATOM 541 NE2 GLN A 81 -35.147 98.366 -11.128 1.00 52.30 N +ATOM 542 N GLY A 82 -37.500 95.843 -6.868 1.00 60.09 N +ATOM 543 CA GLY A 82 -38.506 96.630 -6.169 1.00 60.96 C +ATOM 544 C GLY A 82 -39.294 97.547 -7.109 1.00 62.93 C +ATOM 545 O GLY A 82 -38.766 97.982 -8.143 1.00 61.49 O +ATOM 546 N PRO A 83 -40.552 97.891 -6.765 1.00 61.96 N +ATOM 547 CA PRO A 83 -41.383 98.750 -7.592 1.00 64.58 C +ATOM 548 C PRO A 83 -40.722 100.122 -7.781 1.00 64.59 C +ATOM 549 O PRO A 83 -40.009 100.632 -6.907 1.00 63.55 O +ATOM 550 CB PRO A 83 -42.740 98.843 -6.870 1.00 63.25 C +ATOM 551 CG PRO A 83 -42.384 98.574 -5.411 1.00 60.30 C +ATOM 552 CD PRO A 83 -41.237 97.571 -5.512 1.00 62.16 C +ATOM 553 N ARG A 84 -40.949 100.699 -8.941 1.00 62.95 N +ATOM 554 CA ARG A 84 -40.483 102.067 -9.203 1.00 66.75 C +ATOM 555 C ARG A 84 -41.173 103.023 -8.231 1.00 65.55 C +ATOM 556 O ARG A 84 -42.380 102.941 -8.059 1.00 63.13 O +ATOM 557 CB ARG A 84 -40.763 102.419 -10.667 1.00 64.58 C +ATOM 558 CG ARG A 84 -40.213 103.801 -11.045 1.00 59.76 C +ATOM 559 CD ARG A 84 -40.471 104.084 -12.524 1.00 60.44 C +ATOM 560 NE ARG A 84 -39.960 105.397 -12.929 1.00 58.68 N +ATOM 561 CZ ARG A 84 -39.994 105.906 -14.135 1.00 52.84 C +ATOM 562 NH1 ARG A 84 -40.539 105.273 -15.146 1.00 53.27 N +ATOM 563 NH2 ARG A 84 -39.487 107.085 -14.374 1.00 52.61 N +ATOM 564 N GLY A 85 -40.419 103.932 -7.635 1.00 63.36 N +ATOM 565 CA GLY A 85 -40.982 104.980 -6.791 1.00 64.15 C +ATOM 566 C GLY A 85 -42.043 105.803 -7.525 1.00 66.70 C +ATOM 567 O GLY A 85 -41.940 106.031 -8.737 1.00 65.14 O +ATOM 568 N GLU A 86 -43.057 106.261 -6.778 1.00 55.26 N +ATOM 569 CA GLU A 86 -44.130 107.089 -7.326 1.00 59.88 C +ATOM 570 C GLU A 86 -43.576 108.386 -7.925 1.00 58.81 C +ATOM 571 O GLU A 86 -42.578 108.951 -7.471 1.00 58.09 O +ATOM 572 CB GLU A 86 -45.192 107.392 -6.257 1.00 58.80 C +ATOM 573 CG GLU A 86 -45.911 106.116 -5.769 1.00 54.31 C +ATOM 574 CD GLU A 86 -47.079 106.406 -4.801 1.00 51.63 C +ATOM 575 OE1 GLU A 86 -47.898 105.464 -4.595 1.00 49.82 O +ATOM 576 OE2 GLU A 86 -47.156 107.539 -4.282 1.00 48.31 O +ATOM 577 N GLN A 87 -44.218 108.827 -8.979 1.00 61.47 N +ATOM 578 CA GLN A 87 -43.861 110.114 -9.582 1.00 63.36 C +ATOM 579 C GLN A 87 -44.157 111.243 -8.593 1.00 61.09 C +ATOM 580 O GLN A 87 -45.234 111.293 -8.000 1.00 58.56 O +ATOM 581 CB GLN A 87 -44.630 110.268 -10.909 1.00 62.47 C +ATOM 582 CG GLN A 87 -44.218 111.539 -11.664 1.00 58.95 C +ATOM 583 CD GLN A 87 -44.870 111.663 -13.039 1.00 57.80 C +ATOM 584 OE1 GLN A 87 -45.558 110.798 -13.540 1.00 58.46 O +ATOM 585 NE2 GLN A 87 -44.655 112.771 -13.729 1.00 54.25 N +ATOM 586 N GLY A 88 -43.204 112.111 -8.429 1.00 60.45 N +ATOM 587 CA GLY A 88 -43.412 113.287 -7.593 1.00 60.99 C +ATOM 588 C GLY A 88 -44.609 114.123 -8.060 1.00 62.00 C +ATOM 589 O GLY A 88 -44.913 114.150 -9.262 1.00 60.45 O +ATOM 590 N PRO A 89 -45.291 114.827 -7.129 1.00 59.27 N +ATOM 591 CA PRO A 89 -46.450 115.634 -7.471 1.00 61.66 C +ATOM 592 C PRO A 89 -46.072 116.701 -8.504 1.00 60.08 C +ATOM 593 O PRO A 89 -44.960 117.237 -8.504 1.00 58.65 O +ATOM 594 CB PRO A 89 -46.943 116.239 -6.152 1.00 61.27 C +ATOM 595 CG PRO A 89 -45.703 116.255 -5.277 1.00 58.66 C +ATOM 596 CD PRO A 89 -44.944 114.997 -5.722 1.00 60.44 C +ATOM 597 N GLN A 90 -47.016 117.018 -9.380 1.00 59.81 N +ATOM 598 CA GLN A 90 -46.830 118.096 -10.344 1.00 62.01 C +ATOM 599 C GLN A 90 -46.641 119.431 -9.625 1.00 59.97 C +ATOM 600 O GLN A 90 -47.342 119.727 -8.648 1.00 57.33 O +ATOM 601 CB GLN A 90 -48.035 118.115 -11.304 1.00 61.19 C +ATOM 602 CG GLN A 90 -47.853 119.117 -12.457 1.00 57.45 C +ATOM 603 CD GLN A 90 -48.985 119.069 -13.485 1.00 56.14 C +ATOM 604 OE1 GLN A 90 -49.905 118.276 -13.433 1.00 55.68 O +ATOM 605 NE2 GLN A 90 -48.942 119.925 -14.490 1.00 51.30 N +ATOM 606 N GLY A 91 -45.692 120.203 -10.074 1.00 58.01 N +ATOM 607 CA GLY A 91 -45.486 121.544 -9.542 1.00 58.61 C +ATOM 608 C GLY A 91 -46.751 122.408 -9.660 1.00 59.03 C +ATOM 609 O GLY A 91 -47.521 122.272 -10.617 1.00 57.26 O +ATOM 610 N LEU A 92 -46.961 123.253 -8.668 1.00 56.51 N +ATOM 611 CA LEU A 92 -48.104 124.164 -8.687 1.00 59.45 C +ATOM 612 C LEU A 92 -48.043 125.100 -9.902 1.00 58.71 C +ATOM 613 O LEU A 92 -46.937 125.502 -10.309 1.00 57.43 O +ATOM 614 CB LEU A 92 -48.161 124.973 -7.380 1.00 58.32 C +ATOM 615 CG LEU A 92 -48.420 124.144 -6.109 1.00 55.34 C +ATOM 616 CD1 LEU A 92 -48.326 125.041 -4.874 1.00 53.63 C +ATOM 617 CD2 LEU A 92 -49.799 123.486 -6.113 1.00 52.53 C +ATOM 618 N PRO A 93 -49.179 125.470 -10.475 1.00 60.12 N +ATOM 619 CA PRO A 93 -49.212 126.477 -11.523 1.00 61.70 C +ATOM 620 C PRO A 93 -48.528 127.773 -11.062 1.00 59.28 C +ATOM 621 O PRO A 93 -48.686 128.195 -9.917 1.00 58.10 O +ATOM 622 CB PRO A 93 -50.695 126.720 -11.838 1.00 62.27 C +ATOM 623 CG PRO A 93 -51.382 125.438 -11.404 1.00 59.01 C +ATOM 624 CD PRO A 93 -50.559 124.971 -10.224 1.00 61.38 C +ATOM 625 N GLY A 94 -47.794 128.373 -11.966 1.00 56.63 N +ATOM 626 CA GLY A 94 -47.192 129.670 -11.707 1.00 58.08 C +ATOM 627 C GLY A 94 -48.238 130.711 -11.298 1.00 59.03 C +ATOM 628 O GLY A 94 -49.374 130.706 -11.783 1.00 57.46 O +ATOM 629 N ALA A 95 -47.847 131.581 -10.397 1.00 55.41 N +ATOM 630 CA ALA A 95 -48.730 132.666 -9.991 1.00 58.32 C +ATOM 631 C ALA A 95 -49.117 133.540 -11.202 1.00 58.39 C +ATOM 632 O ALA A 95 -48.316 133.780 -12.112 1.00 56.91 O +ATOM 633 CB ALA A 95 -48.039 133.480 -8.885 1.00 56.89 C +ATOM 634 N ARG A 96 -50.330 133.959 -11.187 1.00 59.95 N +ATOM 635 CA ARG A 96 -50.784 134.885 -12.223 1.00 62.67 C +ATOM 636 C ARG A 96 -49.961 136.161 -12.163 1.00 60.72 C +ATOM 637 O ARG A 96 -49.768 136.712 -11.086 1.00 58.32 O +ATOM 638 CB ARG A 96 -52.281 135.152 -12.044 1.00 61.29 C +ATOM 639 CG ARG A 96 -52.858 135.979 -13.196 1.00 54.77 C +ATOM 640 CD ARG A 96 -54.366 136.140 -13.037 1.00 54.71 C +ATOM 641 NE ARG A 96 -54.952 136.837 -14.182 1.00 53.65 N +ATOM 642 CZ ARG A 96 -56.229 137.036 -14.415 1.00 47.67 C +ATOM 643 NH1 ARG A 96 -57.157 136.648 -13.574 1.00 48.75 N +ATOM 644 NH2 ARG A 96 -56.614 137.629 -15.503 1.00 48.01 N +ATOM 645 N GLY A 97 -49.537 136.640 -13.320 1.00 58.98 N +ATOM 646 CA GLY A 97 -48.783 137.876 -13.428 1.00 59.96 C +ATOM 647 C GLY A 97 -49.492 139.044 -12.742 1.00 61.42 C +ATOM 648 O GLY A 97 -50.722 139.160 -12.788 1.00 59.52 O +ATOM 649 N GLU A 98 -48.716 139.842 -12.107 1.00 53.12 N +ATOM 650 CA GLU A 98 -49.251 141.019 -11.432 1.00 55.92 C +ATOM 651 C GLU A 98 -49.975 141.947 -12.411 1.00 55.21 C +ATOM 652 O GLU A 98 -49.634 142.065 -13.595 1.00 54.43 O +ATOM 653 CB GLU A 98 -48.138 141.772 -10.687 1.00 55.48 C +ATOM 654 CG GLU A 98 -47.527 140.930 -9.543 1.00 50.89 C +ATOM 655 CD GLU A 98 -46.560 141.727 -8.655 1.00 49.08 C +ATOM 656 OE1 GLU A 98 -46.288 141.252 -7.522 1.00 47.26 O +ATOM 657 OE2 GLU A 98 -46.102 142.805 -9.103 1.00 45.69 O +ATOM 658 N ARG A 99 -50.952 142.506 -11.891 1.00 60.49 N +ATOM 659 CA ARG A 99 -51.673 143.497 -12.674 1.00 61.16 C +ATOM 660 C ARG A 99 -50.743 144.665 -12.980 1.00 58.56 C +ATOM 661 O ARG A 99 -50.105 145.183 -12.071 1.00 56.04 O +ATOM 662 CB ARG A 99 -52.927 143.929 -11.907 1.00 60.16 C +ATOM 663 CG ARG A 99 -53.851 144.837 -12.732 1.00 54.04 C +ATOM 664 CD ARG A 99 -55.103 145.183 -11.924 1.00 54.34 C +ATOM 665 NE ARG A 99 -56.061 145.976 -12.694 1.00 53.01 N +ATOM 666 CZ ARG A 99 -57.237 146.412 -12.297 1.00 47.30 C +ATOM 667 NH1 ARG A 99 -57.685 146.169 -11.097 1.00 48.82 N +ATOM 668 NH2 ARG A 99 -57.993 147.103 -13.091 1.00 47.49 N +ATOM 669 N GLY A 100 -50.705 145.101 -14.225 1.00 58.05 N +ATOM 670 CA GLY A 100 -49.922 146.257 -14.636 1.00 58.33 C +ATOM 671 C GLY A 100 -50.285 147.521 -13.844 1.00 58.40 C +ATOM 672 O GLY A 100 -51.454 147.711 -13.490 1.00 56.55 O +ATOM 673 N PHE A 101 -49.291 148.322 -13.588 1.00 58.15 N +ATOM 674 CA PHE A 101 -49.506 149.589 -12.888 1.00 60.53 C +ATOM 675 C PHE A 101 -50.547 150.453 -13.604 1.00 59.95 C +ATOM 676 O PHE A 101 -50.608 150.450 -14.843 1.00 58.34 O +ATOM 677 CB PHE A 101 -48.169 150.343 -12.741 1.00 59.23 C +ATOM 678 CG PHE A 101 -47.168 149.653 -11.828 1.00 56.07 C +ATOM 679 CD1 PHE A 101 -47.275 149.787 -10.435 1.00 53.96 C +ATOM 680 CD2 PHE A 101 -46.143 148.865 -12.375 1.00 52.03 C +ATOM 681 CE1 PHE A 101 -46.362 149.140 -9.589 1.00 48.24 C +ATOM 682 CE2 PHE A 101 -45.237 148.211 -11.527 1.00 50.08 C +ATOM 683 CZ PHE A 101 -45.343 148.345 -10.128 1.00 50.10 C +ATOM 684 N PRO A 102 -51.322 151.150 -12.826 1.00 58.53 N +ATOM 685 CA PRO A 102 -52.242 152.095 -13.426 1.00 59.77 C +ATOM 686 C PRO A 102 -51.468 153.088 -14.303 1.00 58.36 C +ATOM 687 O PRO A 102 -50.492 153.679 -13.864 1.00 56.32 O +ATOM 688 CB PRO A 102 -52.949 152.799 -12.271 1.00 59.43 C +ATOM 689 CG PRO A 102 -52.782 151.858 -11.093 1.00 56.12 C +ATOM 690 CD PRO A 102 -51.455 151.179 -11.364 1.00 58.48 C +ATOM 691 N GLY A 103 -51.921 153.230 -15.536 1.00 53.15 N +ATOM 692 CA GLY A 103 -51.376 154.255 -16.410 1.00 54.78 C +ATOM 693 C GLY A 103 -51.751 155.656 -15.918 1.00 55.63 C +ATOM 694 O GLY A 103 -52.833 155.856 -15.375 1.00 53.75 O +ATOM 695 N GLU A 104 -50.895 156.624 -16.163 1.00 51.94 N +ATOM 696 CA GLU A 104 -51.082 158.013 -15.725 1.00 55.82 C +ATOM 697 C GLU A 104 -52.394 158.662 -16.205 1.00 55.61 C +ATOM 698 O GLU A 104 -52.798 159.701 -15.681 1.00 54.32 O +ATOM 699 CB GLU A 104 -49.886 158.872 -16.182 1.00 55.24 C +ATOM 700 CG GLU A 104 -48.589 158.519 -15.445 1.00 49.78 C +ATOM 701 CD GLU A 104 -47.433 159.469 -15.811 1.00 47.58 C +ATOM 702 OE1 GLU A 104 -46.527 159.633 -14.967 1.00 44.62 O +ATOM 703 OE2 GLU A 104 -47.460 160.013 -16.935 1.00 44.55 O +ATOM 704 N ARG A 105 -53.068 157.941 -17.143 1.00 54.27 N +ATOM 705 CA ARG A 105 -54.376 158.349 -17.674 1.00 57.72 C +ATOM 706 C ARG A 105 -55.429 157.233 -17.591 1.00 57.92 C +ATOM 707 O ARG A 105 -56.211 157.063 -18.517 1.00 55.01 O +ATOM 708 CB ARG A 105 -54.214 158.924 -19.086 1.00 56.38 C +ATOM 709 CG ARG A 105 -53.380 160.215 -19.111 1.00 50.13 C +ATOM 710 CD ARG A 105 -53.400 160.810 -20.517 1.00 47.91 C +ATOM 711 NE ARG A 105 -52.591 162.022 -20.579 1.00 44.65 N +ATOM 712 CZ ARG A 105 -52.312 162.723 -21.668 1.00 39.26 C +ATOM 713 NH1 ARG A 105 -52.769 162.387 -22.829 1.00 40.23 N +ATOM 714 NH2 ARG A 105 -51.568 163.782 -21.609 1.00 38.80 N +ATOM 715 N SER A 106 -55.422 156.463 -16.507 1.00 52.55 N +ATOM 716 CA SER A 106 -56.451 155.433 -16.234 1.00 54.59 C +ATOM 717 C SER A 106 -56.586 154.320 -17.286 1.00 54.92 C +ATOM 718 O SER A 106 -57.633 153.669 -17.389 1.00 52.55 O +ATOM 719 CB SER A 106 -57.811 156.076 -15.939 1.00 52.01 C +ATOM 720 OG SER A 106 -57.697 157.022 -14.910 1.00 46.62 O +ATOM 721 N VAL A 107 -55.565 154.056 -18.088 1.00 54.01 N +ATOM 722 CA VAL A 107 -55.551 152.897 -18.982 1.00 56.85 C +ATOM 723 C VAL A 107 -55.030 151.701 -18.199 1.00 56.66 C +ATOM 724 O VAL A 107 -53.939 151.751 -17.622 1.00 54.64 O +ATOM 725 CB VAL A 107 -54.727 153.147 -20.254 1.00 56.02 C +ATOM 726 CG1 VAL A 107 -54.938 152.016 -21.264 1.00 51.61 C +ATOM 727 CG2 VAL A 107 -55.114 154.455 -20.950 1.00 52.11 C +ATOM 728 N GLN A 108 -55.804 150.611 -18.127 1.00 57.03 N +ATOM 729 CA GLN A 108 -55.410 149.385 -17.452 1.00 59.14 C +ATOM 730 C GLN A 108 -54.236 148.744 -18.177 1.00 58.56 C +ATOM 731 O GLN A 108 -54.295 148.520 -19.389 1.00 55.77 O +ATOM 732 CB GLN A 108 -56.625 148.454 -17.351 1.00 57.94 C +ATOM 733 CG GLN A 108 -56.336 147.166 -16.553 1.00 52.44 C +ATOM 734 CD GLN A 108 -57.582 146.311 -16.309 1.00 50.88 C +ATOM 735 OE1 GLN A 108 -58.712 146.671 -16.607 1.00 50.19 O +ATOM 736 NE2 GLN A 108 -57.436 145.129 -15.732 1.00 46.63 N +ATOM 737 N GLY A 109 -53.176 148.482 -17.474 1.00 55.39 N +ATOM 738 CA GLY A 109 -52.046 147.751 -18.002 1.00 56.37 C +ATOM 739 C GLY A 109 -52.447 146.350 -18.460 1.00 56.71 C +ATOM 740 O GLY A 109 -53.447 145.809 -17.977 1.00 55.52 O +ATOM 741 N PRO A 110 -51.710 145.688 -19.394 1.00 59.08 N +ATOM 742 CA PRO A 110 -51.984 144.338 -19.857 1.00 61.69 C +ATOM 743 C PRO A 110 -51.913 143.354 -18.682 1.00 60.20 C +ATOM 744 O PRO A 110 -51.171 143.583 -17.723 1.00 59.20 O +ATOM 745 CB PRO A 110 -50.933 144.041 -20.929 1.00 61.53 C +ATOM 746 CG PRO A 110 -49.792 144.957 -20.550 1.00 58.92 C +ATOM 747 CD PRO A 110 -50.479 146.174 -19.978 1.00 60.22 C +ATOM 748 N PRO A 111 -52.680 142.279 -18.732 1.00 60.57 N +ATOM 749 CA PRO A 111 -52.560 141.224 -17.732 1.00 62.25 C +ATOM 750 C PRO A 111 -51.111 140.753 -17.626 1.00 59.99 C +ATOM 751 O PRO A 111 -50.392 140.666 -18.629 1.00 58.62 O +ATOM 752 CB PRO A 111 -53.490 140.096 -18.194 1.00 62.71 C +ATOM 753 CG PRO A 111 -54.488 140.783 -19.097 1.00 58.49 C +ATOM 754 CD PRO A 111 -53.703 141.912 -19.713 1.00 61.73 C +ATOM 755 N GLY A 112 -50.668 140.438 -16.428 1.00 57.03 N +ATOM 756 CA GLY A 112 -49.395 139.791 -16.204 1.00 58.52 C +ATOM 757 C GLY A 112 -49.331 138.444 -16.928 1.00 59.05 C +ATOM 758 O GLY A 112 -50.356 137.781 -17.103 1.00 57.22 O +ATOM 759 N LYS A 113 -48.149 138.046 -17.376 1.00 60.66 N +ATOM 760 CA LYS A 113 -47.947 136.731 -17.989 1.00 64.30 C +ATOM 761 C LYS A 113 -48.291 135.629 -16.994 1.00 63.48 C +ATOM 762 O LYS A 113 -48.057 135.777 -15.799 1.00 62.17 O +ATOM 763 CB LYS A 113 -46.503 136.576 -18.485 1.00 62.22 C +ATOM 764 CG LYS A 113 -46.140 137.547 -19.603 1.00 57.52 C +ATOM 765 CD LYS A 113 -44.709 137.294 -20.069 1.00 56.76 C +ATOM 766 CE LYS A 113 -44.295 138.275 -21.169 1.00 52.98 C +ATOM 767 NZ LYS A 113 -42.890 138.056 -21.592 1.00 47.85 N +ATOM 768 N ASP A 114 -48.841 134.536 -17.508 1.00 64.51 N +ATOM 769 CA ASP A 114 -49.050 133.366 -16.670 1.00 66.07 C +ATOM 770 C ASP A 114 -47.720 132.903 -16.082 1.00 64.84 C +ATOM 771 O ASP A 114 -46.674 132.962 -16.726 1.00 61.18 O +ATOM 772 CB ASP A 114 -49.723 132.239 -17.475 1.00 63.28 C +ATOM 773 CG ASP A 114 -51.164 132.554 -17.873 1.00 59.18 C +ATOM 774 OD1 ASP A 114 -51.825 133.329 -17.158 1.00 56.69 O +ATOM 775 OD2 ASP A 114 -51.607 132.024 -18.912 1.00 56.04 O +ATOM 776 N GLY A 115 -47.757 132.489 -14.850 1.00 60.26 N +ATOM 777 CA GLY A 115 -46.599 131.918 -14.183 1.00 60.69 C +ATOM 778 C GLY A 115 -46.101 130.668 -14.904 1.00 61.00 C +ATOM 779 O GLY A 115 -46.884 129.915 -15.489 1.00 58.72 O +ATOM 780 N GLU A 116 -44.825 130.437 -14.861 1.00 56.97 N +ATOM 781 CA GLU A 116 -44.232 129.238 -15.447 1.00 59.84 C +ATOM 782 C GLU A 116 -44.798 127.966 -14.800 1.00 57.74 C +ATOM 783 O GLU A 116 -45.132 127.930 -13.612 1.00 56.78 O +ATOM 784 CB GLU A 116 -42.697 129.270 -15.339 1.00 58.93 C +ATOM 785 CG GLU A 116 -42.087 130.410 -16.179 1.00 54.64 C +ATOM 786 CD GLU A 116 -40.553 130.417 -16.190 1.00 52.59 C +ATOM 787 OE1 GLU A 116 -40.008 131.099 -17.097 1.00 50.74 O +ATOM 788 OE2 GLU A 116 -39.937 129.764 -15.326 1.00 49.08 O +ATOM 789 N ALA A 117 -44.951 126.908 -15.601 1.00 64.25 N +ATOM 790 CA ALA A 117 -45.383 125.621 -15.071 1.00 64.54 C +ATOM 791 C ALA A 117 -44.392 125.132 -14.000 1.00 62.66 C +ATOM 792 O ALA A 117 -43.181 125.256 -14.157 1.00 59.67 O +ATOM 793 CB ALA A 117 -45.523 124.608 -16.215 1.00 62.87 C +ATOM 794 N GLY A 118 -44.922 124.582 -12.946 1.00 56.35 N +ATOM 795 CA GLY A 118 -44.099 123.998 -11.898 1.00 57.43 C +ATOM 796 C GLY A 118 -43.176 122.908 -12.450 1.00 57.59 C +ATOM 797 O GLY A 118 -43.555 122.149 -13.345 1.00 55.82 O +ATOM 798 N ALA A 119 -41.995 122.837 -11.915 1.00 56.13 N +ATOM 799 CA ALA A 119 -41.040 121.804 -12.295 1.00 58.88 C +ATOM 800 C ALA A 119 -41.609 120.395 -12.028 1.00 58.12 C +ATOM 801 O ALA A 119 -42.349 120.167 -11.067 1.00 56.74 O +ATOM 802 CB ALA A 119 -39.729 122.043 -11.546 1.00 57.54 C +ATOM 803 N GLN A 120 -41.261 119.418 -12.882 1.00 55.63 N +ATOM 804 CA GLN A 120 -41.626 118.021 -12.659 1.00 58.54 C +ATOM 805 C GLN A 120 -41.015 117.526 -11.342 1.00 57.07 C +ATOM 806 O GLN A 120 -39.849 117.777 -11.062 1.00 55.29 O +ATOM 807 CB GLN A 120 -41.168 117.178 -13.861 1.00 57.88 C +ATOM 808 CG GLN A 120 -41.604 115.703 -13.754 1.00 53.81 C +ATOM 809 CD GLN A 120 -41.238 114.874 -14.976 1.00 52.58 C +ATOM 810 OE1 GLN A 120 -40.722 115.323 -15.974 1.00 53.17 O +ATOM 811 NE2 GLN A 120 -41.515 113.574 -14.953 1.00 48.99 N +ATOM 812 N GLY A 121 -41.809 116.864 -10.543 1.00 54.65 N +ATOM 813 CA GLY A 121 -41.335 116.261 -9.308 1.00 56.47 C +ATOM 814 C GLY A 121 -40.180 115.272 -9.558 1.00 56.54 C +ATOM 815 O GLY A 121 -40.116 114.662 -10.633 1.00 55.14 O +ATOM 816 N PRO A 122 -39.292 115.107 -8.601 1.00 57.08 N +ATOM 817 CA PRO A 122 -38.192 114.168 -8.726 1.00 59.02 C +ATOM 818 C PRO A 122 -38.706 112.731 -8.919 1.00 57.06 C +ATOM 819 O PRO A 122 -39.776 112.365 -8.435 1.00 56.24 O +ATOM 820 CB PRO A 122 -37.360 114.317 -7.438 1.00 59.10 C +ATOM 821 CG PRO A 122 -38.383 114.816 -6.424 1.00 57.34 C +ATOM 822 CD PRO A 122 -39.316 115.683 -7.268 1.00 59.68 C +ATOM 823 N ALA A 123 -37.939 111.903 -9.628 1.00 60.56 N +ATOM 824 CA ALA A 123 -38.243 110.477 -9.726 1.00 61.51 C +ATOM 825 C ALA A 123 -38.230 109.833 -8.331 1.00 59.75 C +ATOM 826 O ALA A 123 -37.386 110.154 -7.496 1.00 57.38 O +ATOM 827 CB ALA A 123 -37.245 109.801 -10.676 1.00 60.55 C +ATOM 828 N GLY A 124 -39.168 108.947 -8.096 1.00 55.78 N +ATOM 829 CA GLY A 124 -39.201 108.180 -6.861 1.00 57.39 C +ATOM 830 C GLY A 124 -37.909 107.374 -6.648 1.00 57.52 C +ATOM 831 O GLY A 124 -37.242 107.022 -7.630 1.00 55.94 O +ATOM 832 N PRO A 125 -37.555 107.097 -5.406 1.00 55.90 N +ATOM 833 CA PRO A 125 -36.369 106.306 -5.102 1.00 58.44 C +ATOM 834 C PRO A 125 -36.457 104.912 -5.744 1.00 56.48 C +ATOM 835 O PRO A 125 -37.541 104.351 -5.920 1.00 55.88 O +ATOM 836 CB PRO A 125 -36.298 106.237 -3.566 1.00 58.43 C +ATOM 837 CG PRO A 125 -37.750 106.410 -3.143 1.00 56.53 C +ATOM 838 CD PRO A 125 -38.314 107.360 -4.193 1.00 58.91 C +ATOM 839 N MET A 126 -35.300 104.342 -6.121 1.00 59.95 N +ATOM 840 CA MET A 126 -35.234 102.970 -6.596 1.00 61.24 C +ATOM 841 C MET A 126 -35.723 102.017 -5.503 1.00 60.67 C +ATOM 842 O MET A 126 -35.369 102.180 -4.333 1.00 57.85 O +ATOM 843 CB MET A 126 -33.804 102.630 -7.037 1.00 59.36 C +ATOM 844 CG MET A 126 -33.745 101.358 -7.888 1.00 53.92 C +ATOM 845 SD MET A 126 -32.112 101.058 -8.641 1.00 51.64 S +ATOM 846 CE MET A 126 -31.270 100.260 -7.263 1.00 49.86 C +ATOM 847 N GLY A 127 -36.545 101.045 -5.870 1.00 55.96 N +ATOM 848 CA GLY A 127 -37.007 100.022 -4.938 1.00 57.59 C +ATOM 849 C GLY A 127 -35.835 99.231 -4.329 1.00 57.81 C +ATOM 850 O GLY A 127 -34.760 99.168 -4.928 1.00 56.30 O +ATOM 851 N PRO A 128 -36.030 98.678 -3.140 1.00 57.18 N +ATOM 852 CA PRO A 128 -34.996 97.875 -2.492 1.00 60.20 C +ATOM 853 C PRO A 128 -34.591 96.695 -3.387 1.00 58.86 C +ATOM 854 O PRO A 128 -35.381 96.192 -4.190 1.00 57.95 O +ATOM 855 CB PRO A 128 -35.604 97.414 -1.158 1.00 59.65 C +ATOM 856 CG PRO A 128 -37.102 97.426 -1.427 1.00 57.93 C +ATOM 857 CD PRO A 128 -37.272 98.601 -2.389 1.00 60.30 C +ATOM 858 N ALA A 129 -33.340 96.261 -3.270 1.00 61.08 N +ATOM 859 CA ALA A 129 -32.890 95.051 -3.950 1.00 62.80 C +ATOM 860 C ALA A 129 -33.730 93.854 -3.506 1.00 62.89 C +ATOM 861 O ALA A 129 -34.077 93.733 -2.333 1.00 60.71 O +ATOM 862 CB ALA A 129 -31.391 94.829 -3.665 1.00 60.44 C +ATOM 863 N GLY A 130 -34.042 92.984 -4.439 1.00 57.69 N +ATOM 864 CA GLY A 130 -34.747 91.748 -4.132 1.00 60.02 C +ATOM 865 C GLY A 130 -33.973 90.885 -3.133 1.00 61.89 C +ATOM 866 O GLY A 130 -32.737 90.913 -3.087 1.00 60.13 O +ATOM 867 N GLU A 131 -34.717 90.155 -2.350 1.00 53.84 N +ATOM 868 CA GLU A 131 -34.126 89.232 -1.387 1.00 58.74 C +ATOM 869 C GLU A 131 -33.246 88.195 -2.083 1.00 57.83 C +ATOM 870 O GLU A 131 -33.463 87.797 -3.238 1.00 57.15 O +ATOM 871 CB GLU A 131 -35.210 88.554 -0.526 1.00 57.58 C +ATOM 872 CG GLU A 131 -35.956 89.573 0.355 1.00 52.75 C +ATOM 873 CD GLU A 131 -36.920 88.914 1.366 1.00 49.82 C +ATOM 874 OE1 GLU A 131 -37.295 89.636 2.330 1.00 47.97 O +ATOM 875 OE2 GLU A 131 -37.251 87.730 1.166 1.00 46.52 O +ATOM 876 N ARG A 132 -32.183 87.753 -1.400 1.00 62.45 N +ATOM 877 CA ARG A 132 -31.299 86.711 -1.909 1.00 65.87 C +ATOM 878 C ARG A 132 -32.081 85.407 -2.008 1.00 65.38 C +ATOM 879 O ARG A 132 -32.720 85.014 -1.044 1.00 62.66 O +ATOM 880 CB ARG A 132 -30.083 86.582 -0.991 1.00 63.03 C +ATOM 881 CG ARG A 132 -29.076 85.552 -1.524 1.00 56.50 C +ATOM 882 CD ARG A 132 -27.867 85.501 -0.597 1.00 56.37 C +ATOM 883 NE ARG A 132 -26.860 84.551 -1.076 1.00 54.24 N +ATOM 884 CZ ARG A 132 -25.694 84.304 -0.523 1.00 48.82 C +ATOM 885 NH1 ARG A 132 -25.308 84.899 0.576 1.00 49.45 N +ATOM 886 NH2 ARG A 132 -24.871 83.441 -1.069 1.00 48.13 N +ATOM 887 N GLY A 133 -31.992 84.738 -3.130 1.00 59.78 N +ATOM 888 CA GLY A 133 -32.614 83.430 -3.301 1.00 61.48 C +ATOM 889 C GLY A 133 -32.179 82.437 -2.226 1.00 62.60 C +ATOM 890 O GLY A 133 -31.044 82.491 -1.730 1.00 60.55 O +ATOM 891 N GLU A 134 -33.097 81.569 -1.866 1.00 54.23 N +ATOM 892 CA GLU A 134 -32.831 80.532 -0.872 1.00 58.81 C +ATOM 893 C GLU A 134 -31.674 79.638 -1.307 1.00 57.76 C +ATOM 894 O GLU A 134 -31.404 79.407 -2.489 1.00 57.04 O +ATOM 895 CB GLU A 134 -34.095 79.706 -0.582 1.00 57.78 C +ATOM 896 CG GLU A 134 -35.200 80.557 0.083 1.00 53.20 C +ATOM 897 CD GLU A 134 -36.402 79.723 0.564 1.00 50.36 C +ATOM 898 OE1 GLU A 134 -37.167 80.261 1.406 1.00 49.02 O +ATOM 899 OE2 GLU A 134 -36.530 78.564 0.109 1.00 47.52 O +ATOM 900 N LYS A 135 -30.927 79.153 -0.308 1.00 64.84 N +ATOM 901 CA LYS A 135 -29.834 78.220 -0.572 1.00 67.95 C +ATOM 902 C LYS A 135 -30.431 76.916 -1.093 1.00 67.25 C +ATOM 903 O LYS A 135 -31.339 76.385 -0.484 1.00 65.44 O +ATOM 904 CB LYS A 135 -29.030 78.022 0.722 1.00 64.44 C +ATOM 905 CG LYS A 135 -27.796 77.133 0.504 1.00 57.97 C +ATOM 906 CD LYS A 135 -27.044 76.962 1.832 1.00 57.15 C +ATOM 907 CE LYS A 135 -25.848 76.023 1.646 1.00 54.62 C +ATOM 908 NZ LYS A 135 -25.208 75.728 2.943 1.00 49.10 N +ATOM 909 N GLY A 136 -29.904 76.421 -2.187 1.00 59.16 N +ATOM 910 CA GLY A 136 -30.320 75.128 -2.712 1.00 60.22 C +ATOM 911 C GLY A 136 -30.191 74.022 -1.665 1.00 60.95 C +ATOM 912 O GLY A 136 -29.279 74.044 -0.830 1.00 58.46 O +ATOM 913 N GLU A 137 -31.114 73.079 -1.708 1.00 54.12 N +ATOM 914 CA GLU A 137 -31.105 71.936 -0.804 1.00 58.37 C +ATOM 915 C GLU A 137 -29.795 71.147 -0.927 1.00 56.58 C +ATOM 916 O GLU A 137 -29.199 71.057 -2.011 1.00 55.92 O +ATOM 917 CB GLU A 137 -32.306 71.018 -1.052 1.00 57.89 C +ATOM 918 CG GLU A 137 -33.646 71.686 -0.701 1.00 53.98 C +ATOM 919 CD GLU A 137 -34.846 70.711 -0.766 1.00 51.28 C +ATOM 920 OE1 GLU A 137 -35.872 71.023 -0.122 1.00 50.03 O +ATOM 921 OE2 GLU A 137 -34.710 69.659 -1.437 1.00 48.60 O +ATOM 922 N PRO A 138 -29.309 70.573 0.184 1.00 61.69 N +ATOM 923 CA PRO A 138 -28.171 69.673 0.126 1.00 63.36 C +ATOM 924 C PRO A 138 -28.443 68.535 -0.861 1.00 62.28 C +ATOM 925 O PRO A 138 -29.533 67.965 -0.878 1.00 60.61 O +ATOM 926 CB PRO A 138 -27.966 69.139 1.549 1.00 62.90 C +ATOM 927 CG PRO A 138 -28.626 70.204 2.430 1.00 60.01 C +ATOM 928 CD PRO A 138 -29.774 70.708 1.559 1.00 64.36 C +ATOM 929 N GLY A 139 -27.443 68.180 -1.639 1.00 57.25 N +ATOM 930 CA GLY A 139 -27.547 67.019 -2.505 1.00 58.93 C +ATOM 931 C GLY A 139 -27.835 65.750 -1.701 1.00 59.29 C +ATOM 932 O GLY A 139 -27.371 65.578 -0.568 1.00 57.48 O +ATOM 933 N THR A 140 -28.614 64.851 -2.278 1.00 53.92 N +ATOM 934 CA THR A 140 -28.942 63.568 -1.645 1.00 57.12 C +ATOM 935 C THR A 140 -27.675 62.752 -1.388 1.00 55.23 C +ATOM 936 O THR A 140 -26.732 62.754 -2.181 1.00 53.92 O +ATOM 937 CB THR A 140 -29.943 62.758 -2.478 1.00 57.23 C +ATOM 938 OG1 THR A 140 -29.477 62.604 -3.801 1.00 54.19 O +ATOM 939 CG2 THR A 140 -31.297 63.450 -2.567 1.00 54.71 C +ATOM 940 N GLN A 141 -27.663 62.064 -0.256 1.00 60.13 N +ATOM 941 CA GLN A 141 -26.547 61.175 0.057 1.00 62.86 C +ATOM 942 C GLN A 141 -26.443 60.077 -1.007 1.00 61.64 C +ATOM 943 O GLN A 141 -27.445 59.461 -1.365 1.00 58.78 O +ATOM 944 CB GLN A 141 -26.733 60.612 1.473 1.00 60.68 C +ATOM 945 CG GLN A 141 -25.520 59.778 1.925 1.00 56.16 C +ATOM 946 CD GLN A 141 -25.630 59.290 3.370 1.00 54.76 C +ATOM 947 OE1 GLN A 141 -26.596 59.487 4.086 1.00 53.70 O +ATOM 948 NE2 GLN A 141 -24.630 58.603 3.868 1.00 50.09 N +ATOM 949 N GLY A 142 -25.237 59.809 -1.478 1.00 57.05 N +ATOM 950 CA GLY A 142 -24.992 58.724 -2.416 1.00 58.59 C +ATOM 951 C GLY A 142 -25.430 57.367 -1.844 1.00 58.77 C +ATOM 952 O GLY A 142 -25.340 57.129 -0.641 1.00 56.97 O +ATOM 953 N ALA A 143 -25.924 56.509 -2.710 1.00 57.57 N +ATOM 954 CA ALA A 143 -26.328 55.159 -2.318 1.00 60.71 C +ATOM 955 C ALA A 143 -25.156 54.412 -1.659 1.00 60.47 C +ATOM 956 O ALA A 143 -23.989 54.567 -2.034 1.00 58.91 O +ATOM 957 CB ALA A 143 -26.873 54.415 -3.545 1.00 58.86 C +ATOM 958 N LYS A 144 -25.477 53.597 -0.636 1.00 65.11 N +ATOM 959 CA LYS A 144 -24.474 52.748 -0.002 1.00 69.13 C +ATOM 960 C LYS A 144 -23.915 51.768 -1.033 1.00 68.50 C +ATOM 961 O LYS A 144 -24.688 51.138 -1.747 1.00 66.27 O +ATOM 962 CB LYS A 144 -25.112 52.025 1.194 1.00 65.56 C +ATOM 963 CG LYS A 144 -24.089 51.202 1.989 1.00 58.94 C +ATOM 964 CD LYS A 144 -24.744 50.573 3.225 1.00 58.68 C +ATOM 965 CE LYS A 144 -23.706 49.758 4.004 1.00 55.76 C +ATOM 966 NZ LYS A 144 -24.300 49.164 5.219 1.00 50.11 N +ATOM 967 N GLY A 145 -22.609 51.640 -1.082 1.00 57.85 N +ATOM 968 CA GLY A 145 -21.970 50.676 -1.974 1.00 59.96 C +ATOM 969 C GLY A 145 -22.419 49.241 -1.675 1.00 61.52 C +ATOM 970 O GLY A 145 -22.693 48.890 -0.530 1.00 59.27 O +ATOM 971 N ASP A 146 -22.488 48.447 -2.720 1.00 57.55 N +ATOM 972 CA ASP A 146 -22.846 47.040 -2.597 1.00 62.03 C +ATOM 973 C ASP A 146 -21.874 46.297 -1.680 1.00 61.63 C +ATOM 974 O ASP A 146 -20.690 46.612 -1.571 1.00 60.19 O +ATOM 975 CB ASP A 146 -22.915 46.369 -3.982 1.00 59.79 C +ATOM 976 CG ASP A 146 -24.032 46.938 -4.857 1.00 56.82 C +ATOM 977 OD1 ASP A 146 -25.132 47.199 -4.300 1.00 54.90 O +ATOM 978 OD2 ASP A 146 -23.788 47.090 -6.071 1.00 52.72 O +ATOM 979 N ARG A 147 -22.405 45.288 -0.975 1.00 63.64 N +ATOM 980 CA ARG A 147 -21.574 44.425 -0.143 1.00 67.94 C +ATOM 981 C ARG A 147 -20.590 43.674 -1.029 1.00 66.31 C +ATOM 982 O ARG A 147 -21.005 43.065 -2.006 1.00 62.98 O +ATOM 983 CB ARG A 147 -22.465 43.477 0.668 1.00 64.85 C +ATOM 984 CG ARG A 147 -21.650 42.605 1.638 1.00 59.26 C +ATOM 985 CD ARG A 147 -22.581 41.720 2.466 1.00 59.53 C +ATOM 986 NE ARG A 147 -21.834 40.888 3.410 1.00 56.91 N +ATOM 987 CZ ARG A 147 -22.354 40.053 4.302 1.00 51.55 C +ATOM 988 NH1 ARG A 147 -23.638 39.885 4.413 1.00 51.87 N +ATOM 989 NH2 ARG A 147 -21.576 39.359 5.087 1.00 50.19 N +ATOM 990 N GLY A 148 -19.330 43.690 -0.664 1.00 59.58 N +ATOM 991 CA GLY A 148 -18.320 42.917 -1.372 1.00 60.69 C +ATOM 992 C GLY A 148 -18.673 41.425 -1.426 1.00 61.23 C +ATOM 993 O GLY A 148 -19.251 40.880 -0.477 1.00 59.08 O +ATOM 994 N GLU A 149 -18.329 40.791 -2.523 1.00 55.86 N +ATOM 995 CA GLU A 149 -18.540 39.356 -2.703 1.00 60.33 C +ATOM 996 C GLU A 149 -17.805 38.559 -1.622 1.00 58.79 C +ATOM 997 O GLU A 149 -16.725 38.925 -1.146 1.00 57.69 O +ATOM 998 CB GLU A 149 -18.111 38.901 -4.107 1.00 59.24 C +ATOM 999 CG GLU A 149 -18.981 39.532 -5.217 1.00 55.69 C +ATOM 1000 CD GLU A 149 -18.658 38.968 -6.614 1.00 53.37 C +ATOM 1001 OE1 GLU A 149 -19.519 39.162 -7.508 1.00 51.86 O +ATOM 1002 OE2 GLU A 149 -17.582 38.358 -6.780 1.00 50.64 O +ATOM 1003 N THR A 150 -18.432 37.455 -1.215 1.00 69.69 N +ATOM 1004 CA THR A 150 -17.793 36.531 -0.278 1.00 70.21 C +ATOM 1005 C THR A 150 -16.554 35.948 -0.953 1.00 68.22 C +ATOM 1006 O THR A 150 -16.633 35.492 -2.093 1.00 64.58 O +ATOM 1007 CB THR A 150 -18.756 35.419 0.145 1.00 68.20 C +ATOM 1008 OG1 THR A 150 -19.928 35.992 0.692 1.00 63.76 O +ATOM 1009 CG2 THR A 150 -18.180 34.500 1.213 1.00 63.99 C +ATOM 1010 N GLY A 151 -15.425 35.949 -0.240 1.00 59.98 N +ATOM 1011 CA GLY A 151 -14.198 35.349 -0.755 1.00 61.32 C +ATOM 1012 C GLY A 151 -14.394 33.869 -1.123 1.00 62.03 C +ATOM 1013 O GLY A 151 -15.258 33.192 -0.548 1.00 60.54 O +ATOM 1014 N PRO A 152 -13.613 33.363 -2.059 1.00 60.19 N +ATOM 1015 CA PRO A 152 -13.710 31.973 -2.470 1.00 63.64 C +ATOM 1016 C PRO A 152 -13.471 31.038 -1.274 1.00 61.72 C +ATOM 1017 O PRO A 152 -12.686 31.338 -0.368 1.00 60.71 O +ATOM 1018 CB PRO A 152 -12.668 31.790 -3.577 1.00 62.94 C +ATOM 1019 CG PRO A 152 -11.640 32.881 -3.277 1.00 61.39 C +ATOM 1020 CD PRO A 152 -12.496 34.018 -2.713 1.00 63.38 C +ATOM 1021 N VAL A 153 -14.145 29.894 -1.288 1.00 68.41 N +ATOM 1022 CA VAL A 153 -13.907 28.847 -0.286 1.00 70.44 C +ATOM 1023 C VAL A 153 -12.456 28.385 -0.402 1.00 70.00 C +ATOM 1024 O VAL A 153 -11.979 28.130 -1.511 1.00 67.06 O +ATOM 1025 CB VAL A 153 -14.897 27.676 -0.463 1.00 67.61 C +ATOM 1026 CG1 VAL A 153 -14.661 26.550 0.542 1.00 61.93 C +ATOM 1027 CG2 VAL A 153 -16.344 28.157 -0.285 1.00 63.86 C +ATOM 1028 N GLY A 154 -11.778 28.271 0.738 1.00 58.39 N +ATOM 1029 CA GLY A 154 -10.413 27.761 0.774 1.00 60.62 C +ATOM 1030 C GLY A 154 -10.305 26.363 0.142 1.00 62.21 C +ATOM 1031 O GLY A 154 -11.284 25.608 0.128 1.00 60.97 O +ATOM 1032 N PRO A 155 -9.133 26.030 -0.377 1.00 61.35 N +ATOM 1033 CA PRO A 155 -8.927 24.729 -0.993 1.00 64.66 C +ATOM 1034 C PRO A 155 -9.262 23.615 -0.001 1.00 63.88 C +ATOM 1035 O PRO A 155 -9.056 23.728 1.207 1.00 62.30 O +ATOM 1036 CB PRO A 155 -7.465 24.704 -1.450 1.00 63.28 C +ATOM 1037 CG PRO A 155 -6.790 25.714 -0.522 1.00 60.92 C +ATOM 1038 CD PRO A 155 -7.883 26.754 -0.288 1.00 62.19 C +ATOM 1039 N ARG A 156 -9.801 22.509 -0.518 1.00 64.05 N +ATOM 1040 CA ARG A 156 -10.058 21.333 0.304 1.00 68.17 C +ATOM 1041 C ARG A 156 -8.736 20.812 0.858 1.00 66.27 C +ATOM 1042 O ARG A 156 -7.804 20.627 0.085 1.00 63.06 O +ATOM 1043 CB ARG A 156 -10.791 20.273 -0.533 1.00 65.33 C +ATOM 1044 CG ARG A 156 -11.178 19.041 0.298 1.00 60.00 C +ATOM 1045 CD ARG A 156 -11.944 18.046 -0.576 1.00 59.22 C +ATOM 1046 NE ARG A 156 -12.346 16.863 0.190 1.00 57.34 N +ATOM 1047 CZ ARG A 156 -13.064 15.845 -0.257 1.00 51.21 C +ATOM 1048 NH1 ARG A 156 -13.486 15.793 -1.494 1.00 51.30 N +ATOM 1049 NH2 ARG A 156 -13.364 14.855 0.534 1.00 49.90 N +ATOM 1050 N GLY A 157 -8.700 20.530 2.165 1.00 59.48 N +ATOM 1051 CA GLY A 157 -7.528 19.911 2.781 1.00 60.69 C +ATOM 1052 C GLY A 157 -7.131 18.612 2.075 1.00 62.11 C +ATOM 1053 O GLY A 157 -7.998 17.869 1.578 1.00 59.94 O +ATOM 1054 N GLU A 158 -5.833 18.375 2.010 1.00 55.22 N +ATOM 1055 CA GLU A 158 -5.302 17.162 1.401 1.00 59.93 C +ATOM 1056 C GLU A 158 -5.852 15.921 2.113 1.00 58.14 C +ATOM 1057 O GLU A 158 -6.149 15.905 3.309 1.00 56.76 O +ATOM 1058 CB GLU A 158 -3.773 17.167 1.388 1.00 58.51 C +ATOM 1059 CG GLU A 158 -3.223 18.299 0.487 1.00 54.41 C +ATOM 1060 CD GLU A 158 -1.705 18.228 0.280 1.00 51.77 C +ATOM 1061 OE1 GLU A 158 -1.239 18.919 -0.661 1.00 49.62 O +ATOM 1062 OE2 GLU A 158 -1.038 17.496 1.034 1.00 48.99 O +ATOM 1063 N ARG A 159 -6.049 14.867 1.333 1.00 62.46 N +ATOM 1064 CA ARG A 159 -6.488 13.592 1.905 1.00 65.66 C +ATOM 1065 C ARG A 159 -5.379 13.076 2.814 1.00 63.28 C +ATOM 1066 O ARG A 159 -4.255 12.958 2.362 1.00 60.38 O +ATOM 1067 CB ARG A 159 -6.822 12.609 0.774 1.00 63.85 C +ATOM 1068 CG ARG A 159 -7.359 11.274 1.307 1.00 59.28 C +ATOM 1069 CD ARG A 159 -7.703 10.352 0.141 1.00 59.15 C +ATOM 1070 NE ARG A 159 -8.247 9.068 0.612 1.00 57.90 N +ATOM 1071 CZ ARG A 159 -8.632 8.055 -0.152 1.00 52.36 C +ATOM 1072 NH1 ARG A 159 -8.565 8.119 -1.446 1.00 53.00 N +ATOM 1073 NH2 ARG A 159 -9.089 6.969 0.390 1.00 51.47 N +ATOM 1074 N GLY A 160 -5.725 12.720 4.056 1.00 57.09 N +ATOM 1075 CA GLY A 160 -4.767 12.099 4.953 1.00 57.56 C +ATOM 1076 C GLY A 160 -4.127 10.859 4.331 1.00 58.11 C +ATOM 1077 O GLY A 160 -4.795 10.105 3.615 1.00 55.64 O +ATOM 1078 N GLU A 161 -2.835 10.696 4.587 1.00 53.47 N +ATOM 1079 CA GLU A 161 -2.097 9.531 4.106 1.00 57.40 C +ATOM 1080 C GLU A 161 -2.758 8.236 4.600 1.00 55.00 C +ATOM 1081 O GLU A 161 -3.323 8.160 5.698 1.00 54.39 O +ATOM 1082 CB GLU A 161 -0.623 9.593 4.533 1.00 57.12 C +ATOM 1083 CG GLU A 161 0.131 10.757 3.863 1.00 53.29 C +ATOM 1084 CD GLU A 161 1.642 10.742 4.161 1.00 51.08 C +ATOM 1085 OE1 GLU A 161 2.374 11.430 3.421 1.00 49.80 O +ATOM 1086 OE2 GLU A 161 2.058 10.029 5.111 1.00 49.15 O +ATOM 1087 N ALA A 162 -2.720 7.206 3.752 1.00 60.66 N +ATOM 1088 CA ALA A 162 -3.184 5.897 4.160 1.00 62.10 C +ATOM 1089 C ALA A 162 -2.338 5.403 5.349 1.00 60.38 C +ATOM 1090 O ALA A 162 -1.121 5.563 5.357 1.00 57.95 O +ATOM 1091 CB ALA A 162 -3.127 4.929 2.965 1.00 60.68 C +ATOM 1092 N GLY A 163 -2.995 4.815 6.342 1.00 53.88 N +ATOM 1093 CA GLY A 163 -2.267 4.191 7.442 1.00 55.16 C +ATOM 1094 C GLY A 163 -1.302 3.121 6.922 1.00 54.90 C +ATOM 1095 O GLY A 163 -1.588 2.478 5.912 1.00 53.15 O +ATOM 1096 N PRO A 164 -0.158 2.938 7.605 1.00 53.16 N +ATOM 1097 CA PRO A 164 0.804 1.922 7.204 1.00 56.61 C +ATOM 1098 C PRO A 164 0.136 0.541 7.168 1.00 54.65 C +ATOM 1099 O PRO A 164 -0.752 0.245 7.975 1.00 53.78 O +ATOM 1100 CB PRO A 164 1.941 1.998 8.224 1.00 56.70 C +ATOM 1101 CG PRO A 164 1.277 2.606 9.462 1.00 54.96 C +ATOM 1102 CD PRO A 164 0.231 3.545 8.865 1.00 55.50 C +ATOM 1103 N ALA A 165 0.554 -0.302 6.233 1.00 54.89 N +ATOM 1104 CA ALA A 165 0.103 -1.682 6.193 1.00 57.13 C +ATOM 1105 C ALA A 165 0.412 -2.378 7.533 1.00 54.97 C +ATOM 1106 O ALA A 165 1.453 -2.133 8.143 1.00 53.81 O +ATOM 1107 CB ALA A 165 0.741 -2.405 5.002 1.00 56.35 C +ATOM 1108 N GLY A 166 -0.514 -3.221 7.984 1.00 50.69 N +ATOM 1109 CA GLY A 166 -0.257 -4.070 9.140 1.00 52.78 C +ATOM 1110 C GLY A 166 0.971 -4.949 8.893 1.00 53.11 C +ATOM 1111 O GLY A 166 1.219 -5.372 7.769 1.00 51.31 O +ATOM 1112 N LYS A 167 1.756 -5.163 9.953 1.00 51.05 N +ATOM 1113 CA LYS A 167 2.914 -6.056 9.854 1.00 56.40 C +ATOM 1114 C LYS A 167 2.436 -7.461 9.480 1.00 54.79 C +ATOM 1115 O LYS A 167 1.412 -7.910 9.983 1.00 53.95 O +ATOM 1116 CB LYS A 167 3.702 -6.085 11.165 1.00 54.96 C +ATOM 1117 CG LYS A 167 4.354 -4.733 11.495 1.00 51.39 C +ATOM 1118 CD LYS A 167 5.184 -4.850 12.777 1.00 49.50 C +ATOM 1119 CE LYS A 167 5.829 -3.508 13.126 1.00 46.51 C +ATOM 1120 NZ LYS A 167 6.652 -3.606 14.354 1.00 41.82 N +ATOM 1121 N ASP A 168 3.205 -8.127 8.641 1.00 54.04 N +ATOM 1122 CA ASP A 168 2.956 -9.528 8.351 1.00 58.25 C +ATOM 1123 C ASP A 168 2.937 -10.333 9.649 1.00 56.94 C +ATOM 1124 O ASP A 168 3.717 -10.084 10.572 1.00 55.00 O +ATOM 1125 CB ASP A 168 4.011 -10.087 7.384 1.00 56.31 C +ATOM 1126 CG ASP A 168 3.935 -9.480 5.976 1.00 53.67 C +ATOM 1127 OD1 ASP A 168 2.817 -9.078 5.574 1.00 51.48 O +ATOM 1128 OD2 ASP A 168 4.988 -9.443 5.315 1.00 50.35 O +ATOM 1129 N GLY A 169 1.998 -11.281 9.725 1.00 50.98 N +ATOM 1130 CA GLY A 169 1.945 -12.205 10.853 1.00 53.16 C +ATOM 1131 C GLY A 169 3.243 -13.007 10.959 1.00 53.91 C +ATOM 1132 O GLY A 169 3.852 -13.378 9.956 1.00 51.63 O +ATOM 1133 N GLU A 170 3.665 -13.244 12.193 1.00 47.62 N +ATOM 1134 CA GLU A 170 4.844 -14.075 12.429 1.00 52.00 C +ATOM 1135 C GLU A 170 4.644 -15.464 11.810 1.00 50.92 C +ATOM 1136 O GLU A 170 3.550 -16.041 11.825 1.00 50.65 O +ATOM 1137 CB GLU A 170 5.177 -14.169 13.921 1.00 51.69 C +ATOM 1138 CG GLU A 170 5.608 -12.804 14.501 1.00 47.73 C +ATOM 1139 CD GLU A 170 6.099 -12.886 15.951 1.00 45.00 C +ATOM 1140 OE1 GLU A 170 6.716 -11.882 16.393 1.00 42.92 O +ATOM 1141 OE2 GLU A 170 5.875 -13.917 16.612 1.00 42.79 O +ATOM 1142 N ARG A 171 5.708 -15.989 11.238 1.00 51.37 N +ATOM 1143 CA ARG A 171 5.674 -17.342 10.693 1.00 54.06 C +ATOM 1144 C ARG A 171 5.402 -18.325 11.825 1.00 51.79 C +ATOM 1145 O ARG A 171 6.095 -18.302 12.833 1.00 51.27 O +ATOM 1146 CB ARG A 171 6.998 -17.635 9.968 1.00 54.06 C +ATOM 1147 CG ARG A 171 6.975 -19.010 9.288 1.00 50.50 C +ATOM 1148 CD ARG A 171 8.285 -19.225 8.527 1.00 50.67 C +ATOM 1149 NE ARG A 171 8.305 -20.529 7.848 1.00 50.09 N +ATOM 1150 CZ ARG A 171 9.271 -20.989 7.070 1.00 45.58 C +ATOM 1151 NH1 ARG A 171 10.343 -20.290 6.814 1.00 46.87 N +ATOM 1152 NH2 ARG A 171 9.178 -22.169 6.539 1.00 45.68 N +ATOM 1153 N GLY A 172 4.416 -19.203 11.619 1.00 50.82 N +ATOM 1154 CA GLY A 172 4.127 -20.264 12.576 1.00 52.54 C +ATOM 1155 C GLY A 172 5.374 -21.120 12.873 1.00 52.54 C +ATOM 1156 O GLY A 172 6.254 -21.250 12.016 1.00 50.92 O +ATOM 1157 N PRO A 173 5.452 -21.681 14.090 1.00 48.87 N +ATOM 1158 CA PRO A 173 6.576 -22.529 14.469 1.00 51.64 C +ATOM 1159 C PRO A 173 6.712 -23.707 13.494 1.00 49.63 C +ATOM 1160 O PRO A 173 5.721 -24.199 12.951 1.00 49.70 O +ATOM 1161 CB PRO A 173 6.304 -22.979 15.911 1.00 52.14 C +ATOM 1162 CG PRO A 173 4.786 -22.892 16.015 1.00 51.19 C +ATOM 1163 CD PRO A 173 4.433 -21.694 15.127 1.00 52.32 C +ATOM 1164 N VAL A 174 7.932 -24.128 13.279 1.00 53.70 N +ATOM 1165 CA VAL A 174 8.188 -25.335 12.485 1.00 56.12 C +ATOM 1166 C VAL A 174 7.507 -26.517 13.176 1.00 54.43 C +ATOM 1167 O VAL A 174 7.637 -26.672 14.391 1.00 52.98 O +ATOM 1168 CB VAL A 174 9.703 -25.579 12.305 1.00 55.08 C +ATOM 1169 CG1 VAL A 174 10.005 -26.842 11.494 1.00 51.48 C +ATOM 1170 CG2 VAL A 174 10.358 -24.398 11.567 1.00 52.46 C +ATOM 1171 N GLY A 175 6.764 -27.300 12.408 1.00 48.55 N +ATOM 1172 CA GLY A 175 6.132 -28.513 12.931 1.00 49.72 C +ATOM 1173 C GLY A 175 7.169 -29.456 13.555 1.00 49.44 C +ATOM 1174 O GLY A 175 8.331 -29.449 13.140 1.00 48.17 O +ATOM 1175 N PRO A 176 6.752 -30.238 14.565 1.00 47.27 N +ATOM 1176 CA PRO A 176 7.663 -31.182 15.211 1.00 50.01 C +ATOM 1177 C PRO A 176 8.268 -32.135 14.166 1.00 48.08 C +ATOM 1178 O PRO A 176 7.614 -32.493 13.185 1.00 48.39 O +ATOM 1179 CB PRO A 176 6.827 -31.909 16.262 1.00 50.85 C +ATOM 1180 CG PRO A 176 5.400 -31.796 15.721 1.00 50.51 C +ATOM 1181 CD PRO A 176 5.399 -30.427 15.030 1.00 51.55 C +ATOM 1182 N ALA A 177 9.507 -32.523 14.404 1.00 50.37 N +ATOM 1183 CA ALA A 177 10.144 -33.539 13.565 1.00 52.01 C +ATOM 1184 C ALA A 177 9.285 -34.817 13.549 1.00 50.39 C +ATOM 1185 O ALA A 177 8.693 -35.197 14.565 1.00 49.99 O +ATOM 1186 CB ALA A 177 11.566 -33.808 14.078 1.00 51.56 C +ATOM 1187 N GLY A 178 9.203 -35.440 12.382 1.00 46.15 N +ATOM 1188 CA GLY A 178 8.564 -36.749 12.269 1.00 47.59 C +ATOM 1189 C GLY A 178 9.232 -37.748 13.218 1.00 47.54 C +ATOM 1190 O GLY A 178 10.431 -37.672 13.457 1.00 46.46 O +ATOM 1191 N LYS A 179 8.411 -38.627 13.778 1.00 45.55 N +ATOM 1192 CA LYS A 179 8.954 -39.679 14.649 1.00 49.44 C +ATOM 1193 C LYS A 179 9.921 -40.548 13.851 1.00 48.08 C +ATOM 1194 O LYS A 179 9.650 -40.858 12.690 1.00 48.02 O +ATOM 1195 CB LYS A 179 7.827 -40.535 15.243 1.00 49.81 C +ATOM 1196 CG LYS A 179 6.935 -39.746 16.207 1.00 47.64 C +ATOM 1197 CD LYS A 179 5.863 -40.662 16.808 1.00 46.05 C +ATOM 1198 CE LYS A 179 4.958 -39.859 17.749 1.00 43.44 C +ATOM 1199 NZ LYS A 179 3.885 -40.702 18.322 1.00 39.73 N +ATOM 1200 N ASP A 180 10.993 -40.937 14.519 1.00 47.63 N +ATOM 1201 CA ASP A 180 11.932 -41.878 13.925 1.00 49.99 C +ATOM 1202 C ASP A 180 11.193 -43.125 13.431 1.00 48.70 C +ATOM 1203 O ASP A 180 10.249 -43.613 14.066 1.00 48.52 O +ATOM 1204 CB ASP A 180 13.035 -42.250 14.936 1.00 49.38 C +ATOM 1205 CG ASP A 180 13.878 -41.048 15.380 1.00 47.48 C +ATOM 1206 OD1 ASP A 180 14.002 -40.093 14.568 1.00 45.66 O +ATOM 1207 OD2 ASP A 180 14.339 -41.054 16.540 1.00 44.67 O +ATOM 1208 N GLY A 181 11.599 -43.604 12.268 1.00 47.26 N +ATOM 1209 CA GLY A 181 11.093 -44.871 11.759 1.00 48.12 C +ATOM 1210 C GLY A 181 11.373 -45.991 12.760 1.00 48.21 C +ATOM 1211 O GLY A 181 12.415 -46.012 13.404 1.00 46.83 O +ATOM 1212 N GLN A 182 10.416 -46.892 12.899 1.00 44.50 N +ATOM 1213 CA GLN A 182 10.653 -48.057 13.753 1.00 48.03 C +ATOM 1214 C GLN A 182 11.847 -48.844 13.201 1.00 47.53 C +ATOM 1215 O GLN A 182 11.935 -49.062 11.996 1.00 47.20 O +ATOM 1216 CB GLN A 182 9.405 -48.941 13.839 1.00 47.72 C +ATOM 1217 CG GLN A 182 8.264 -48.256 14.614 1.00 45.44 C +ATOM 1218 CD GLN A 182 7.016 -49.131 14.774 1.00 42.75 C +ATOM 1219 OE1 GLN A 182 6.865 -50.191 14.198 1.00 41.33 O +ATOM 1220 NE2 GLN A 182 6.065 -48.705 15.566 1.00 39.31 N +ATOM 1221 N ASN A 183 12.725 -49.245 14.119 1.00 50.18 N +ATOM 1222 CA ASN A 183 13.821 -50.133 13.741 1.00 52.57 C +ATOM 1223 C ASN A 183 13.265 -51.348 13.005 1.00 51.34 C +ATOM 1224 O ASN A 183 12.243 -51.914 13.396 1.00 50.48 O +ATOM 1225 CB ASN A 183 14.620 -50.544 14.985 1.00 51.19 C +ATOM 1226 CG ASN A 183 15.395 -49.401 15.623 1.00 48.42 C +ATOM 1227 OD1 ASN A 183 15.621 -48.356 15.034 1.00 46.34 O +ATOM 1228 ND2 ASN A 183 15.838 -49.552 16.851 1.00 44.82 N +ATOM 1229 N GLY A 184 13.911 -51.704 11.915 1.00 47.32 N +ATOM 1230 CA GLY A 184 13.597 -52.966 11.252 1.00 48.11 C +ATOM 1231 C GLY A 184 13.722 -54.118 12.248 1.00 48.20 C +ATOM 1232 O GLY A 184 14.631 -54.133 13.071 1.00 47.06 O +ATOM 1233 N GLN A 185 12.778 -55.044 12.192 1.00 44.14 N +ATOM 1234 CA GLN A 185 12.897 -56.245 13.019 1.00 47.70 C +ATOM 1235 C GLN A 185 14.173 -56.992 12.628 1.00 47.13 C +ATOM 1236 O GLN A 185 14.447 -57.152 11.440 1.00 46.71 O +ATOM 1237 CB GLN A 185 11.666 -57.148 12.873 1.00 47.16 C +ATOM 1238 CG GLN A 185 10.414 -56.521 13.508 1.00 44.23 C +ATOM 1239 CD GLN A 185 9.176 -57.411 13.436 1.00 41.54 C +ATOM 1240 OE1 GLN A 185 9.132 -58.468 12.831 1.00 39.95 O +ATOM 1241 NE2 GLN A 185 8.088 -57.011 14.060 1.00 38.24 N +ATOM 1242 N ASP A 186 14.898 -57.420 13.650 1.00 47.67 N +ATOM 1243 CA ASP A 186 16.064 -58.267 13.423 1.00 50.25 C +ATOM 1244 C ASP A 186 15.676 -59.451 12.530 1.00 49.02 C +ATOM 1245 O ASP A 186 14.619 -60.070 12.689 1.00 48.59 O +ATOM 1246 CB ASP A 186 16.658 -58.750 14.753 1.00 49.71 C +ATOM 1247 CG ASP A 186 17.199 -57.620 15.622 1.00 47.90 C +ATOM 1248 OD1 ASP A 186 17.610 -56.585 15.046 1.00 46.06 O +ATOM 1249 OD2 ASP A 186 17.169 -57.791 16.858 1.00 44.73 O +ATOM 1250 N GLY A 187 16.529 -59.719 11.563 1.00 47.96 N +ATOM 1251 CA GLY A 187 16.345 -60.915 10.746 1.00 48.51 C +ATOM 1252 C GLY A 187 16.305 -62.150 11.645 1.00 48.29 C +ATOM 1253 O GLY A 187 17.145 -62.296 12.527 1.00 47.06 O +ATOM 1254 N LEU A 188 15.316 -63.005 11.427 1.00 43.90 N +ATOM 1255 CA LEU A 188 15.264 -64.256 12.189 1.00 47.65 C +ATOM 1256 C LEU A 188 16.582 -65.020 11.992 1.00 46.64 C +ATOM 1257 O LEU A 188 17.046 -65.118 10.851 1.00 47.10 O +ATOM 1258 CB LEU A 188 14.068 -65.106 11.741 1.00 47.98 C +ATOM 1259 CG LEU A 188 12.690 -64.541 12.117 1.00 45.93 C +ATOM 1260 CD1 LEU A 188 11.592 -65.385 11.471 1.00 44.83 C +ATOM 1261 CD2 LEU A 188 12.450 -64.522 13.625 1.00 43.58 C +ATOM 1262 N PRO A 189 17.143 -65.569 13.055 1.00 48.40 N +ATOM 1263 CA PRO A 189 18.294 -66.448 12.926 1.00 50.50 C +ATOM 1264 C PRO A 189 18.017 -67.511 11.856 1.00 48.75 C +ATOM 1265 O PRO A 189 16.917 -68.066 11.784 1.00 49.20 O +ATOM 1266 CB PRO A 189 18.520 -67.066 14.311 1.00 51.15 C +ATOM 1267 CG PRO A 189 17.919 -66.030 15.255 1.00 49.68 C +ATOM 1268 CD PRO A 189 16.751 -65.450 14.466 1.00 50.49 C +ATOM 1269 N GLY A 190 18.996 -67.754 11.016 1.00 49.02 N +ATOM 1270 CA GLY A 190 18.914 -68.880 10.097 1.00 49.60 C +ATOM 1271 C GLY A 190 18.643 -70.162 10.893 1.00 49.36 C +ATOM 1272 O GLY A 190 19.260 -70.376 11.935 1.00 48.27 O +ATOM 1273 N LYS A 191 17.692 -70.961 10.428 1.00 45.16 N +ATOM 1274 CA LYS A 191 17.462 -72.254 11.089 1.00 48.92 C +ATOM 1275 C LYS A 191 18.746 -73.060 11.006 1.00 47.77 C +ATOM 1276 O LYS A 191 19.310 -73.174 9.916 1.00 47.52 O +ATOM 1277 CB LYS A 191 16.301 -73.020 10.434 1.00 48.96 C +ATOM 1278 CG LYS A 191 14.947 -72.355 10.692 1.00 46.68 C +ATOM 1279 CD LYS A 191 13.812 -73.178 10.092 1.00 44.90 C +ATOM 1280 CE LYS A 191 12.483 -72.486 10.359 1.00 42.61 C +ATOM 1281 NZ LYS A 191 11.336 -73.225 9.768 1.00 38.77 N +ATOM 1282 N ASP A 192 19.148 -73.584 12.141 1.00 47.14 N +ATOM 1283 CA ASP A 192 20.277 -74.501 12.175 1.00 49.68 C +ATOM 1284 C ASP A 192 20.093 -75.572 11.097 1.00 48.24 C +ATOM 1285 O ASP A 192 19.000 -76.122 10.889 1.00 47.78 O +ATOM 1286 CB ASP A 192 20.414 -75.146 13.571 1.00 48.98 C +ATOM 1287 CG ASP A 192 20.670 -74.119 14.674 1.00 46.47 C +ATOM 1288 OD1 ASP A 192 21.299 -73.085 14.364 1.00 44.11 O +ATOM 1289 OD2 ASP A 192 20.180 -74.359 15.796 1.00 42.98 O +ATOM 1290 N GLY A 193 21.157 -75.805 10.346 1.00 47.41 N +ATOM 1291 CA GLY A 193 21.170 -76.933 9.419 1.00 48.05 C +ATOM 1292 C GLY A 193 20.869 -78.208 10.199 1.00 47.64 C +ATOM 1293 O GLY A 193 21.411 -78.411 11.276 1.00 46.41 O +ATOM 1294 N LYS A 194 19.947 -79.007 9.680 1.00 44.35 N +ATOM 1295 CA LYS A 194 19.720 -80.301 10.325 1.00 47.40 C +ATOM 1296 C LYS A 194 21.044 -81.047 10.358 1.00 46.38 C +ATOM 1297 O LYS A 194 21.643 -81.244 9.303 1.00 45.88 O +ATOM 1298 CB LYS A 194 18.657 -81.123 9.585 1.00 47.10 C +ATOM 1299 CG LYS A 194 17.244 -80.573 9.767 1.00 44.11 C +ATOM 1300 CD LYS A 194 16.232 -81.498 9.080 1.00 42.28 C +ATOM 1301 CE LYS A 194 14.808 -80.996 9.268 1.00 39.34 C +ATOM 1302 NZ LYS A 194 13.838 -81.906 8.607 1.00 36.62 N +ATOM 1303 N ASP A 195 21.446 -81.416 11.571 1.00 44.24 N +ATOM 1304 CA ASP A 195 22.636 -82.242 11.740 1.00 46.57 C +ATOM 1305 C ASP A 195 22.573 -83.431 10.792 1.00 45.62 C +ATOM 1306 O ASP A 195 21.582 -84.178 10.732 1.00 45.62 O +ATOM 1307 CB ASP A 195 22.756 -82.717 13.195 1.00 46.11 C +ATOM 1308 CG ASP A 195 23.019 -81.591 14.184 1.00 43.73 C +ATOM 1309 OD1 ASP A 195 23.705 -80.631 13.783 1.00 41.65 O +ATOM 1310 OD2 ASP A 195 22.539 -81.731 15.330 1.00 40.67 O +ATOM 1311 N GLY A 196 23.633 -83.587 10.022 1.00 44.56 N +ATOM 1312 CA GLY A 196 23.853 -84.859 9.344 1.00 45.30 C +ATOM 1313 C GLY A 196 23.911 -85.958 10.398 1.00 45.14 C +ATOM 1314 O GLY A 196 24.522 -85.777 11.447 1.00 44.25 O +ATOM 1315 N GLN A 197 23.260 -87.085 10.156 1.00 41.11 N +ATOM 1316 CA GLN A 197 23.274 -88.205 11.103 1.00 43.84 C +ATOM 1317 C GLN A 197 24.716 -88.541 11.512 1.00 43.22 C +ATOM 1318 O GLN A 197 25.575 -88.770 10.670 1.00 42.71 O +ATOM 1319 CB GLN A 197 22.558 -89.427 10.514 1.00 43.50 C +ATOM 1320 CG GLN A 197 21.024 -89.268 10.509 1.00 41.05 C +ATOM 1321 CD GLN A 197 20.288 -90.511 10.004 1.00 38.64 C +ATOM 1322 OE1 GLN A 197 20.837 -91.422 9.420 1.00 36.74 O +ATOM 1323 NE2 GLN A 197 18.993 -90.596 10.206 1.00 35.83 N +ATOM 1324 N ASN A 198 24.954 -88.485 12.831 1.00 43.46 N +ATOM 1325 CA ASN A 198 26.261 -88.470 13.460 1.00 45.96 C +ATOM 1326 C ASN A 198 27.260 -89.518 12.947 1.00 44.80 C +ATOM 1327 O ASN A 198 27.166 -90.704 13.272 1.00 44.42 O +ATOM 1328 CB ASN A 198 26.059 -88.650 14.980 1.00 45.03 C +ATOM 1329 CG ASN A 198 25.710 -87.369 15.698 1.00 41.64 C +ATOM 1330 OD1 ASN A 198 26.126 -86.300 15.313 1.00 38.76 O +ATOM 1331 ND2 ASN A 198 24.985 -87.425 16.793 1.00 37.24 N +ATOM 1332 N GLY A 199 28.314 -89.005 12.321 1.00 43.64 N +ATOM 1333 CA GLY A 199 29.651 -89.541 12.531 1.00 44.82 C +ATOM 1334 C GLY A 199 30.390 -88.605 13.493 1.00 44.37 C +ATOM 1335 O GLY A 199 30.649 -87.471 13.149 1.00 43.35 O +ATOM 1336 N LYS A 200 30.650 -89.055 14.720 1.00 39.67 N +ATOM 1337 CA LYS A 200 31.365 -88.413 15.848 1.00 44.82 C +ATOM 1338 C LYS A 200 31.785 -86.934 15.695 1.00 42.95 C +ATOM 1339 O LYS A 200 32.726 -86.632 14.972 1.00 43.44 O +ATOM 1340 CB LYS A 200 32.590 -89.271 16.213 1.00 46.26 C +ATOM 1341 CG LYS A 200 32.179 -90.661 16.723 1.00 44.41 C +ATOM 1342 CD LYS A 200 33.403 -91.475 17.156 1.00 42.78 C +ATOM 1343 CE LYS A 200 32.930 -92.822 17.695 1.00 39.68 C +ATOM 1344 NZ LYS A 200 34.060 -93.637 18.218 1.00 35.86 N +ATOM 1345 N ASP A 201 31.124 -86.082 16.493 1.00 45.14 N +ATOM 1346 CA ASP A 201 31.485 -84.721 16.919 1.00 48.56 C +ATOM 1347 C ASP A 201 32.255 -83.856 15.915 1.00 46.92 C +ATOM 1348 O ASP A 201 33.467 -83.649 16.006 1.00 46.37 O +ATOM 1349 CB ASP A 201 32.143 -84.762 18.313 1.00 48.30 C +ATOM 1350 CG ASP A 201 31.302 -85.503 19.353 1.00 45.86 C +ATOM 1351 OD1 ASP A 201 30.075 -85.604 19.159 1.00 43.26 O +ATOM 1352 OD2 ASP A 201 31.906 -86.043 20.316 1.00 41.73 O +ATOM 1353 N GLY A 202 31.524 -83.241 14.971 1.00 41.45 N +ATOM 1354 CA GLY A 202 31.968 -82.027 14.296 1.00 42.74 C +ATOM 1355 C GLY A 202 31.828 -80.817 15.231 1.00 41.99 C +ATOM 1356 O GLY A 202 30.860 -80.730 15.986 1.00 40.80 O +ATOM 1357 N LEU A 203 32.808 -79.894 15.214 1.00 41.21 N +ATOM 1358 CA LEU A 203 32.778 -78.654 16.006 1.00 45.99 C +ATOM 1359 C LEU A 203 31.490 -77.862 15.722 1.00 44.51 C +ATOM 1360 O LEU A 203 31.101 -77.775 14.555 1.00 44.81 O +ATOM 1361 CB LEU A 203 34.006 -77.790 15.660 1.00 46.40 C +ATOM 1362 CG LEU A 203 35.353 -78.360 16.128 1.00 43.29 C +ATOM 1363 CD1 LEU A 203 36.503 -77.608 15.470 1.00 41.12 C +ATOM 1364 CD2 LEU A 203 35.522 -78.251 17.641 1.00 39.94 C +ATOM 1365 N PRO A 204 30.872 -77.219 16.728 1.00 46.02 N +ATOM 1366 CA PRO A 204 29.711 -76.355 16.525 1.00 48.93 C +ATOM 1367 C PRO A 204 29.981 -75.337 15.410 1.00 47.17 C +ATOM 1368 O PRO A 204 31.070 -74.761 15.337 1.00 47.81 O +ATOM 1369 CB PRO A 204 29.438 -75.653 17.865 1.00 49.32 C +ATOM 1370 CG PRO A 204 30.026 -76.613 18.895 1.00 47.39 C +ATOM 1371 CD PRO A 204 31.209 -77.236 18.173 1.00 48.74 C +ATOM 1372 N GLY A 205 29.015 -75.166 14.543 1.00 44.22 N +ATOM 1373 CA GLY A 205 29.065 -74.082 13.567 1.00 46.74 C +ATOM 1374 C GLY A 205 29.222 -72.750 14.302 1.00 46.89 C +ATOM 1375 O GLY A 205 28.589 -72.538 15.325 1.00 45.68 O +ATOM 1376 N LYS A 206 30.101 -71.850 13.817 1.00 44.29 N +ATOM 1377 CA LYS A 206 30.170 -70.501 14.375 1.00 50.02 C +ATOM 1378 C LYS A 206 28.855 -69.794 14.089 1.00 48.49 C +ATOM 1379 O LYS A 206 28.428 -69.806 12.940 1.00 48.71 O +ATOM 1380 CB LYS A 206 31.344 -69.695 13.784 1.00 50.48 C +ATOM 1381 CG LYS A 206 32.700 -70.231 14.228 1.00 47.81 C +ATOM 1382 CD LYS A 206 33.829 -69.311 13.744 1.00 45.39 C +ATOM 1383 CE LYS A 206 35.174 -69.841 14.230 1.00 42.59 C +ATOM 1384 NZ LYS A 206 36.283 -68.925 13.906 1.00 38.25 N +ATOM 1385 N ASP A 207 28.307 -69.140 15.103 1.00 48.83 N +ATOM 1386 CA ASP A 207 27.108 -68.320 14.973 1.00 53.19 C +ATOM 1387 C ASP A 207 27.220 -67.402 13.751 1.00 50.82 C +ATOM 1388 O ASP A 207 28.287 -66.868 13.425 1.00 49.67 O +ATOM 1389 CB ASP A 207 26.884 -67.498 16.258 1.00 52.54 C +ATOM 1390 CG ASP A 207 26.774 -68.372 17.516 1.00 49.63 C +ATOM 1391 OD1 ASP A 207 26.296 -69.518 17.391 1.00 46.93 O +ATOM 1392 OD2 ASP A 207 27.278 -67.925 18.572 1.00 44.82 O +ATOM 1393 N GLY A 208 26.101 -67.244 13.030 1.00 46.60 N +ATOM 1394 CA GLY A 208 26.008 -66.259 11.961 1.00 48.98 C +ATOM 1395 C GLY A 208 26.334 -64.879 12.527 1.00 49.02 C +ATOM 1396 O GLY A 208 25.907 -64.535 13.617 1.00 47.76 O +ATOM 1397 N LYS A 209 27.153 -64.084 11.808 1.00 47.15 N +ATOM 1398 CA LYS A 209 27.397 -62.702 12.244 1.00 51.93 C +ATOM 1399 C LYS A 209 26.078 -61.943 12.205 1.00 49.87 C +ATOM 1400 O LYS A 209 25.413 -61.988 11.181 1.00 50.09 O +ATOM 1401 CB LYS A 209 28.431 -61.999 11.362 1.00 52.20 C +ATOM 1402 CG LYS A 209 29.842 -62.553 11.549 1.00 49.33 C +ATOM 1403 CD LYS A 209 30.833 -61.697 10.769 1.00 47.26 C +ATOM 1404 CE LYS A 209 32.262 -62.178 10.999 1.00 44.50 C +ATOM 1405 NZ LYS A 209 33.240 -61.246 10.411 1.00 40.31 N +ATOM 1406 N ASP A 210 25.774 -61.194 13.274 1.00 49.22 N +ATOM 1407 CA ASP A 210 24.623 -60.304 13.349 1.00 53.16 C +ATOM 1408 C ASP A 210 24.524 -59.448 12.078 1.00 50.80 C +ATOM 1409 O ASP A 210 25.524 -58.956 11.543 1.00 49.80 O +ATOM 1410 CB ASP A 210 24.709 -59.406 14.590 1.00 52.76 C +ATOM 1411 CG ASP A 210 24.819 -60.190 15.904 1.00 50.59 C +ATOM 1412 OD1 ASP A 210 24.275 -61.313 15.945 1.00 48.38 O +ATOM 1413 OD2 ASP A 210 25.533 -59.699 16.810 1.00 46.48 O +ATOM 1414 N GLY A 211 23.294 -59.271 11.576 1.00 47.47 N +ATOM 1415 CA GLY A 211 23.024 -58.333 10.493 1.00 49.21 C +ATOM 1416 C GLY A 211 23.492 -56.938 10.913 1.00 49.61 C +ATOM 1417 O GLY A 211 23.253 -56.509 12.033 1.00 48.64 O +ATOM 1418 N GLN A 212 24.200 -56.222 10.028 1.00 45.42 N +ATOM 1419 CA GLN A 212 24.571 -54.837 10.330 1.00 50.00 C +ATOM 1420 C GLN A 212 23.296 -54.017 10.512 1.00 49.62 C +ATOM 1421 O GLN A 212 22.441 -54.023 9.628 1.00 49.00 O +ATOM 1422 CB GLN A 212 25.455 -54.237 9.230 1.00 49.70 C +ATOM 1423 CG GLN A 212 26.865 -54.838 9.228 1.00 46.92 C +ATOM 1424 CD GLN A 212 27.802 -54.189 8.215 1.00 43.40 C +ATOM 1425 OE1 GLN A 212 27.448 -53.420 7.343 1.00 42.10 O +ATOM 1426 NE2 GLN A 212 29.081 -54.488 8.280 1.00 39.71 N +ATOM 1427 N ASN A 213 23.188 -53.287 11.630 1.00 51.35 N +ATOM 1428 CA ASN A 213 22.095 -52.355 11.870 1.00 55.29 C +ATOM 1429 C ASN A 213 21.923 -51.433 10.654 1.00 53.00 C +ATOM 1430 O ASN A 213 22.899 -50.937 10.086 1.00 52.15 O +ATOM 1431 CB ASN A 213 22.366 -51.533 13.147 1.00 54.57 C +ATOM 1432 CG ASN A 213 22.350 -52.367 14.426 1.00 51.86 C +ATOM 1433 OD1 ASN A 213 21.876 -53.487 14.461 1.00 50.52 O +ATOM 1434 ND2 ASN A 213 22.870 -51.862 15.514 1.00 48.13 N +ATOM 1435 N GLY A 214 20.682 -51.216 10.251 1.00 48.43 N +ATOM 1436 CA GLY A 214 20.369 -50.205 9.247 1.00 49.81 C +ATOM 1437 C GLY A 214 20.939 -48.858 9.690 1.00 49.68 C +ATOM 1438 O GLY A 214 20.856 -48.496 10.864 1.00 48.45 O +ATOM 1439 N LYS A 215 21.570 -48.099 8.776 1.00 46.49 N +ATOM 1440 CA LYS A 215 22.066 -46.757 9.111 1.00 51.13 C +ATOM 1441 C LYS A 215 20.873 -45.850 9.413 1.00 50.17 C +ATOM 1442 O LYS A 215 19.931 -45.824 8.631 1.00 50.18 O +ATOM 1443 CB LYS A 215 22.908 -46.170 7.978 1.00 51.27 C +ATOM 1444 CG LYS A 215 24.233 -46.903 7.806 1.00 48.97 C +ATOM 1445 CD LYS A 215 25.089 -46.198 6.753 1.00 47.09 C +ATOM 1446 CE LYS A 215 26.417 -46.911 6.604 1.00 44.57 C +ATOM 1447 NZ LYS A 215 27.303 -46.200 5.653 1.00 40.24 N +ATOM 1448 N ASP A 216 20.976 -45.055 10.485 1.00 49.91 N +ATOM 1449 CA ASP A 216 19.986 -44.045 10.835 1.00 53.56 C +ATOM 1450 C ASP A 216 19.664 -43.156 9.635 1.00 51.70 C +ATOM 1451 O ASP A 216 20.552 -42.743 8.874 1.00 50.84 O +ATOM 1452 CB ASP A 216 20.490 -43.185 12.017 1.00 53.39 C +ATOM 1453 CG ASP A 216 20.822 -43.990 13.270 1.00 51.85 C +ATOM 1454 OD1 ASP A 216 20.197 -45.054 13.462 1.00 49.88 O +ATOM 1455 OD2 ASP A 216 21.759 -43.573 13.984 1.00 48.46 O +ATOM 1456 N GLY A 217 18.378 -42.871 9.453 1.00 46.99 N +ATOM 1457 CA GLY A 217 17.937 -41.925 8.436 1.00 48.21 C +ATOM 1458 C GLY A 217 18.561 -40.548 8.689 1.00 48.39 C +ATOM 1459 O GLY A 217 18.576 -40.056 9.813 1.00 47.02 O +ATOM 1460 N LEU A 218 19.095 -39.907 7.636 1.00 44.93 N +ATOM 1461 CA LEU A 218 19.614 -38.543 7.758 1.00 48.86 C +ATOM 1462 C LEU A 218 18.484 -37.587 8.161 1.00 47.84 C +ATOM 1463 O LEU A 218 17.391 -37.669 7.582 1.00 48.05 O +ATOM 1464 CB LEU A 218 20.276 -38.095 6.445 1.00 48.82 C +ATOM 1465 CG LEU A 218 21.595 -38.805 6.121 1.00 45.92 C +ATOM 1466 CD1 LEU A 218 22.041 -38.445 4.705 1.00 44.37 C +ATOM 1467 CD2 LEU A 218 22.720 -38.409 7.079 1.00 43.27 C +ATOM 1468 N PRO A 219 18.720 -36.640 9.088 1.00 48.94 N +ATOM 1469 CA PRO A 219 17.743 -35.602 9.409 1.00 51.14 C +ATOM 1470 C PRO A 219 17.328 -34.855 8.136 1.00 49.09 C +ATOM 1471 O PRO A 219 18.170 -34.409 7.363 1.00 49.66 O +ATOM 1472 CB PRO A 219 18.412 -34.669 10.425 1.00 51.77 C +ATOM 1473 CG PRO A 219 19.491 -35.538 11.063 1.00 50.55 C +ATOM 1474 CD PRO A 219 19.917 -36.476 9.934 1.00 51.41 C +ATOM 1475 N GLY A 220 16.010 -34.703 7.950 1.00 47.43 N +ATOM 1476 CA GLY A 220 15.447 -34.083 6.761 1.00 48.90 C +ATOM 1477 C GLY A 220 15.914 -32.638 6.577 1.00 49.36 C +ATOM 1478 O GLY A 220 15.353 -31.718 7.153 1.00 48.34 O +ATOM 1479 N LYS A 221 16.918 -32.448 5.736 1.00 43.55 N +ATOM 1480 CA LYS A 221 17.074 -31.210 4.972 1.00 48.24 C +ATOM 1481 C LYS A 221 16.904 -31.570 3.505 1.00 47.38 C +ATOM 1482 O LYS A 221 17.706 -32.302 2.944 1.00 47.46 O +ATOM 1483 CB LYS A 221 18.401 -30.507 5.279 1.00 48.32 C +ATOM 1484 CG LYS A 221 18.330 -29.771 6.620 1.00 45.57 C +ATOM 1485 CD LYS A 221 19.595 -28.930 6.859 1.00 43.30 C +ATOM 1486 CE LYS A 221 19.460 -28.154 8.168 1.00 40.57 C +ATOM 1487 NZ LYS A 221 20.663 -27.337 8.440 1.00 37.00 N +ATOM 1488 N ASP A 222 15.829 -31.038 2.940 1.00 45.83 N +ATOM 1489 CA ASP A 222 15.500 -31.040 1.522 1.00 49.69 C +ATOM 1490 C ASP A 222 15.158 -32.404 0.898 1.00 47.12 C +ATOM 1491 O ASP A 222 15.880 -32.912 0.047 1.00 47.03 O +ATOM 1492 CB ASP A 222 16.539 -30.225 0.732 1.00 50.44 C +ATOM 1493 CG ASP A 222 16.825 -28.858 1.354 1.00 48.79 C +ATOM 1494 OD1 ASP A 222 15.912 -28.329 2.042 1.00 46.84 O +ATOM 1495 OD2 ASP A 222 17.950 -28.357 1.177 1.00 45.17 O +ATOM 1496 N GLY A 223 13.983 -32.890 1.231 1.00 45.11 N +ATOM 1497 CA GLY A 223 13.023 -33.494 0.289 1.00 46.68 C +ATOM 1498 C GLY A 223 13.502 -34.540 -0.735 1.00 45.72 C +ATOM 1499 O GLY A 223 12.841 -34.702 -1.756 1.00 44.07 O +ATOM 1500 N LYS A 224 14.624 -35.190 -0.510 1.00 41.36 N +ATOM 1501 CA LYS A 224 15.017 -36.342 -1.326 1.00 44.71 C +ATOM 1502 C LYS A 224 14.824 -37.616 -0.507 1.00 43.58 C +ATOM 1503 O LYS A 224 15.332 -37.707 0.606 1.00 43.68 O +ATOM 1504 CB LYS A 224 16.453 -36.217 -1.830 1.00 45.07 C +ATOM 1505 CG LYS A 224 16.563 -35.101 -2.876 1.00 42.19 C +ATOM 1506 CD LYS A 224 17.966 -35.052 -3.488 1.00 40.15 C +ATOM 1507 CE LYS A 224 18.024 -33.923 -4.517 1.00 36.87 C +ATOM 1508 NZ LYS A 224 19.354 -33.836 -5.154 1.00 34.44 N +ATOM 1509 N ASP A 225 14.072 -38.539 -1.093 1.00 44.54 N +ATOM 1510 CA ASP A 225 13.828 -39.842 -0.485 1.00 47.39 C +ATOM 1511 C ASP A 225 15.160 -40.499 -0.101 1.00 46.22 C +ATOM 1512 O ASP A 225 16.140 -40.463 -0.858 1.00 46.57 O +ATOM 1513 CB ASP A 225 13.021 -40.727 -1.448 1.00 47.27 C +ATOM 1514 CG ASP A 225 11.647 -40.128 -1.788 1.00 45.13 C +ATOM 1515 OD1 ASP A 225 11.038 -39.527 -0.869 1.00 43.40 O +ATOM 1516 OD2 ASP A 225 11.255 -40.217 -2.969 1.00 42.85 O +ATOM 1517 N GLY A 226 15.212 -41.029 1.098 1.00 47.99 N +ATOM 1518 CA GLY A 226 16.370 -41.802 1.533 1.00 49.13 C +ATOM 1519 C GLY A 226 16.588 -42.980 0.584 1.00 49.04 C +ATOM 1520 O GLY A 226 15.641 -43.655 0.201 1.00 47.49 O +ATOM 1521 N GLN A 227 17.837 -43.170 0.194 1.00 44.84 N +ATOM 1522 CA GLN A 227 18.155 -44.325 -0.641 1.00 48.31 C +ATOM 1523 C GLN A 227 17.863 -45.613 0.133 1.00 48.01 C +ATOM 1524 O GLN A 227 18.255 -45.731 1.294 1.00 47.34 O +ATOM 1525 CB GLN A 227 19.628 -44.295 -1.095 1.00 47.49 C +ATOM 1526 CG GLN A 227 19.891 -43.196 -2.132 1.00 44.13 C +ATOM 1527 CD GLN A 227 21.321 -43.193 -2.663 1.00 41.04 C +ATOM 1528 OE1 GLN A 227 22.242 -43.816 -2.158 1.00 38.98 O +ATOM 1529 NE2 GLN A 227 21.580 -42.462 -3.724 1.00 37.38 N +ATOM 1530 N ASP A 228 17.220 -46.557 -0.549 1.00 49.89 N +ATOM 1531 CA ASP A 228 16.965 -47.878 0.018 1.00 53.25 C +ATOM 1532 C ASP A 228 18.252 -48.492 0.588 1.00 52.22 C +ATOM 1533 O ASP A 228 19.341 -48.400 0.003 1.00 51.26 O +ATOM 1534 CB ASP A 228 16.362 -48.816 -1.042 1.00 52.49 C +ATOM 1535 CG ASP A 228 14.938 -48.451 -1.464 1.00 50.21 C +ATOM 1536 OD1 ASP A 228 14.176 -47.994 -0.578 1.00 48.34 O +ATOM 1537 OD2 ASP A 228 14.624 -48.669 -2.652 1.00 47.35 O +ATOM 1538 N GLY A 229 18.129 -49.083 1.753 1.00 51.92 N +ATOM 1539 CA GLY A 229 19.234 -49.827 2.344 1.00 53.85 C +ATOM 1540 C GLY A 229 19.710 -50.932 1.391 1.00 53.42 C +ATOM 1541 O GLY A 229 18.902 -51.618 0.768 1.00 51.29 O +ATOM 1542 N LYS A 230 21.031 -51.056 1.273 1.00 47.36 N +ATOM 1543 CA LYS A 230 21.580 -52.133 0.439 1.00 52.61 C +ATOM 1544 C LYS A 230 21.180 -53.489 1.009 1.00 51.55 C +ATOM 1545 O LYS A 230 21.279 -53.693 2.213 1.00 51.28 O +ATOM 1546 CB LYS A 230 23.111 -52.035 0.324 1.00 52.55 C +ATOM 1547 CG LYS A 230 23.549 -50.815 -0.486 1.00 49.49 C +ATOM 1548 CD LYS A 230 25.066 -50.809 -0.679 1.00 47.39 C +ATOM 1549 CE LYS A 230 25.479 -49.588 -1.502 1.00 44.22 C +ATOM 1550 NZ LYS A 230 26.933 -49.563 -1.772 1.00 39.86 N +ATOM 1551 N ASP A 231 20.797 -54.385 0.125 1.00 52.74 N +ATOM 1552 CA ASP A 231 20.479 -55.760 0.497 1.00 57.09 C +ATOM 1553 C ASP A 231 21.595 -56.376 1.354 1.00 55.11 C +ATOM 1554 O ASP A 231 22.789 -56.203 1.080 1.00 52.92 O +ATOM 1555 CB ASP A 231 20.247 -56.611 -0.759 1.00 55.99 C +ATOM 1556 CG ASP A 231 19.000 -56.229 -1.560 1.00 54.07 C +ATOM 1557 OD1 ASP A 231 18.002 -55.813 -0.923 1.00 51.60 O +ATOM 1558 OD2 ASP A 231 19.021 -56.429 -2.785 1.00 49.89 O +ATOM 1559 N GLY A 232 21.199 -57.074 2.389 1.00 55.06 N +ATOM 1560 CA GLY A 232 22.142 -57.846 3.190 1.00 57.03 C +ATOM 1561 C GLY A 232 22.872 -58.886 2.328 1.00 56.29 C +ATOM 1562 O GLY A 232 22.279 -59.491 1.437 1.00 53.70 O +ATOM 1563 N LEU A 233 24.152 -59.041 2.592 1.00 49.00 N +ATOM 1564 CA LEU A 233 24.928 -60.047 1.869 1.00 53.38 C +ATOM 1565 C LEU A 233 24.353 -61.444 2.156 1.00 52.22 C +ATOM 1566 O LEU A 233 24.050 -61.741 3.314 1.00 51.92 O +ATOM 1567 CB LEU A 233 26.410 -59.980 2.268 1.00 53.11 C +ATOM 1568 CG LEU A 233 27.151 -58.715 1.785 1.00 50.42 C +ATOM 1569 CD1 LEU A 233 28.542 -58.661 2.407 1.00 48.70 C +ATOM 1570 CD2 LEU A 233 27.313 -58.675 0.265 1.00 47.54 C +ATOM 1571 N PRO A 234 24.257 -62.308 1.140 1.00 54.93 N +ATOM 1572 CA PRO A 234 23.859 -63.696 1.359 1.00 58.52 C +ATOM 1573 C PRO A 234 24.762 -64.365 2.404 1.00 55.78 C +ATOM 1574 O PRO A 234 25.976 -64.137 2.431 1.00 55.12 O +ATOM 1575 CB PRO A 234 23.959 -64.386 -0.007 1.00 59.43 C +ATOM 1576 CG PRO A 234 23.817 -63.233 -1.008 1.00 56.39 C +ATOM 1577 CD PRO A 234 24.469 -62.061 -0.282 1.00 57.00 C +ATOM 1578 N GLY A 235 24.172 -65.167 3.246 1.00 56.51 N +ATOM 1579 CA GLY A 235 24.942 -66.029 4.145 1.00 58.64 C +ATOM 1580 C GLY A 235 25.900 -66.913 3.334 1.00 57.96 C +ATOM 1581 O GLY A 235 25.573 -67.343 2.234 1.00 55.87 O +ATOM 1582 N LYS A 236 27.099 -67.128 3.877 1.00 51.86 N +ATOM 1583 CA LYS A 236 28.045 -68.027 3.207 1.00 57.42 C +ATOM 1584 C LYS A 236 27.505 -69.447 3.247 1.00 56.65 C +ATOM 1585 O LYS A 236 27.093 -69.895 4.314 1.00 55.10 O +ATOM 1586 CB LYS A 236 29.437 -67.963 3.859 1.00 56.16 C +ATOM 1587 CG LYS A 236 30.123 -66.615 3.630 1.00 52.77 C +ATOM 1588 CD LYS A 236 31.555 -66.646 4.177 1.00 49.84 C +ATOM 1589 CE LYS A 236 32.248 -65.304 3.911 1.00 47.03 C +ATOM 1590 NZ LYS A 236 33.660 -65.341 4.315 1.00 42.12 N +ATOM 1591 N ASP A 237 27.604 -70.120 2.129 1.00 54.82 N +ATOM 1592 CA ASP A 237 27.252 -71.530 2.055 1.00 59.18 C +ATOM 1593 C ASP A 237 28.001 -72.334 3.122 1.00 56.92 C +ATOM 1594 O ASP A 237 29.178 -72.088 3.410 1.00 54.71 O +ATOM 1595 CB ASP A 237 27.524 -72.078 0.640 1.00 58.47 C +ATOM 1596 CG ASP A 237 26.725 -71.366 -0.458 1.00 55.68 C +ATOM 1597 OD1 ASP A 237 25.588 -70.932 -0.157 1.00 53.00 O +ATOM 1598 OD2 ASP A 237 27.277 -71.224 -1.561 1.00 51.57 O +ATOM 1599 N GLY A 238 27.311 -73.254 3.727 1.00 59.12 N +ATOM 1600 CA GLY A 238 27.931 -74.201 4.643 1.00 60.29 C +ATOM 1601 C GLY A 238 29.035 -74.987 3.926 1.00 59.22 C +ATOM 1602 O GLY A 238 28.912 -75.319 2.756 1.00 56.59 O +ATOM 1603 N LYS A 239 30.128 -75.238 4.639 1.00 54.67 N +ATOM 1604 CA LYS A 239 31.193 -76.062 4.051 1.00 59.93 C +ATOM 1605 C LYS A 239 30.678 -77.481 3.851 1.00 59.49 C +ATOM 1606 O LYS A 239 30.079 -78.040 4.768 1.00 57.58 O +ATOM 1607 CB LYS A 239 32.446 -76.077 4.935 1.00 58.34 C +ATOM 1608 CG LYS A 239 33.161 -74.729 4.961 1.00 54.30 C +ATOM 1609 CD LYS A 239 34.449 -74.846 5.774 1.00 52.02 C +ATOM 1610 CE LYS A 239 35.216 -73.531 5.794 1.00 48.63 C +ATOM 1611 NZ LYS A 239 36.497 -73.665 6.514 1.00 43.82 N +ATOM 1612 N ASP A 240 30.993 -78.039 2.714 1.00 58.63 N +ATOM 1613 CA ASP A 240 30.688 -79.431 2.437 1.00 62.98 C +ATOM 1614 C ASP A 240 31.226 -80.337 3.556 1.00 61.12 C +ATOM 1615 O ASP A 240 32.331 -80.156 4.068 1.00 57.75 O +ATOM 1616 CB ASP A 240 31.270 -79.862 1.083 1.00 61.42 C +ATOM 1617 CG ASP A 240 30.677 -79.099 -0.099 1.00 58.23 C +ATOM 1618 OD1 ASP A 240 29.496 -78.703 0.000 1.00 55.33 O +ATOM 1619 OD2 ASP A 240 31.422 -78.913 -1.080 1.00 53.39 O +ATOM 1620 N GLY A 241 30.423 -81.308 3.929 1.00 60.37 N +ATOM 1621 CA GLY A 241 30.846 -82.319 4.887 1.00 61.02 C +ATOM 1622 C GLY A 241 32.074 -83.079 4.377 1.00 60.16 C +ATOM 1623 O GLY A 241 32.176 -83.390 3.193 1.00 57.48 O +ATOM 1624 N LEU A 242 33.017 -83.345 5.270 1.00 55.53 N +ATOM 1625 CA LEU A 242 34.182 -84.151 4.897 1.00 60.15 C +ATOM 1626 C LEU A 242 33.724 -85.547 4.446 1.00 58.92 C +ATOM 1627 O LEU A 242 32.862 -86.137 5.098 1.00 57.54 O +ATOM 1628 CB LEU A 242 35.172 -84.245 6.071 1.00 59.38 C +ATOM 1629 CG LEU A 242 35.890 -82.931 6.420 1.00 55.85 C +ATOM 1630 CD1 LEU A 242 36.681 -83.101 7.712 1.00 53.51 C +ATOM 1631 CD2 LEU A 242 36.872 -82.490 5.329 1.00 52.62 C +ATOM 1632 N PRO A 243 34.362 -86.119 3.413 1.00 60.14 N +ATOM 1633 CA PRO A 243 34.072 -87.494 3.006 1.00 63.42 C +ATOM 1634 C PRO A 243 34.273 -88.459 4.174 1.00 60.65 C +ATOM 1635 O PRO A 243 35.250 -88.367 4.920 1.00 58.57 O +ATOM 1636 CB PRO A 243 35.023 -87.798 1.845 1.00 63.33 C +ATOM 1637 CG PRO A 243 35.351 -86.414 1.269 1.00 59.20 C +ATOM 1638 CD PRO A 243 35.320 -85.513 2.492 1.00 59.50 C +ATOM 1639 N GLY A 244 33.343 -89.367 4.319 1.00 60.13 N +ATOM 1640 CA GLY A 244 33.490 -90.441 5.296 1.00 60.94 C +ATOM 1641 C GLY A 244 34.768 -91.240 5.037 1.00 59.55 C +ATOM 1642 O GLY A 244 35.161 -91.448 3.890 1.00 57.34 O +ATOM 1643 N LYS A 245 35.451 -91.670 6.123 1.00 57.46 N +ATOM 1644 CA LYS A 245 36.641 -92.517 5.977 1.00 62.54 C +ATOM 1645 C LYS A 245 36.237 -93.866 5.382 1.00 61.37 C +ATOM 1646 O LYS A 245 35.253 -94.453 5.821 1.00 58.76 O +ATOM 1647 CB LYS A 245 37.351 -92.716 7.321 1.00 60.50 C +ATOM 1648 CG LYS A 245 37.991 -91.430 7.827 1.00 56.50 C +ATOM 1649 CD LYS A 245 38.757 -91.671 9.139 1.00 53.38 C +ATOM 1650 CE LYS A 245 39.389 -90.367 9.630 1.00 50.90 C +ATOM 1651 NZ LYS A 245 40.111 -90.543 10.888 1.00 45.21 N +ATOM 1652 N ASP A 246 37.050 -94.338 4.463 1.00 60.23 N +ATOM 1653 CA ASP A 246 36.856 -95.663 3.882 1.00 63.45 C +ATOM 1654 C ASP A 246 36.741 -96.731 4.979 1.00 60.92 C +ATOM 1655 O ASP A 246 37.465 -96.725 5.979 1.00 57.05 O +ATOM 1656 CB ASP A 246 38.010 -96.002 2.922 1.00 61.44 C +ATOM 1657 CG ASP A 246 38.022 -95.150 1.658 1.00 57.72 C +ATOM 1658 OD1 ASP A 246 36.920 -94.904 1.126 1.00 54.57 O +ATOM 1659 OD2 ASP A 246 39.135 -94.789 1.226 1.00 53.18 O +ATOM 1660 N GLY A 247 35.824 -97.647 4.779 1.00 60.32 N +ATOM 1661 CA GLY A 247 35.669 -98.804 5.657 1.00 61.09 C +ATOM 1662 C GLY A 247 36.946 -99.647 5.687 1.00 59.74 C +ATOM 1663 O GLY A 247 37.625 -99.791 4.678 1.00 57.21 O +ATOM 1664 N LYS A 248 37.283-100.184 6.870 1.00 59.17 N +ATOM 1665 CA LYS A 248 38.444-101.082 6.981 1.00 64.33 C +ATOM 1666 C LYS A 248 38.200-102.344 6.162 1.00 62.35 C +ATOM 1667 O LYS A 248 37.115-102.917 6.245 1.00 59.89 O +ATOM 1668 CB LYS A 248 38.727-101.444 8.443 1.00 62.08 C +ATOM 1669 CG LYS A 248 39.217-100.251 9.277 1.00 57.59 C +ATOM 1670 CD LYS A 248 39.529-100.702 10.701 1.00 54.67 C +ATOM 1671 CE LYS A 248 40.024 -99.530 11.555 1.00 52.23 C +ATOM 1672 NZ LYS A 248 40.320 -99.942 12.943 1.00 46.53 N +ATOM 1673 N ASP A 249 39.243-102.780 5.450 1.00 60.71 N +ATOM 1674 CA ASP A 249 39.192-104.030 4.694 1.00 64.56 C +ATOM 1675 C ASP A 249 38.802-105.207 5.596 1.00 61.91 C +ATOM 1676 O ASP A 249 39.234-105.327 6.747 1.00 57.95 O +ATOM 1677 CB ASP A 249 40.548-104.293 4.009 1.00 62.48 C +ATOM 1678 CG ASP A 249 40.909-103.241 2.964 1.00 58.41 C +ATOM 1679 OD1 ASP A 249 39.976-102.705 2.322 1.00 54.92 O +ATOM 1680 OD2 ASP A 249 42.125-102.966 2.834 1.00 53.48 O +ATOM 1681 N GLY A 250 37.978-106.073 5.056 1.00 61.69 N +ATOM 1682 CA GLY A 250 37.566-107.301 5.739 1.00 61.91 C +ATOM 1683 C GLY A 250 38.765-108.223 6.019 1.00 61.51 C +ATOM 1684 O GLY A 250 39.669-108.340 5.199 1.00 58.98 O +ATOM 1685 N GLN A 251 38.768-108.852 7.182 1.00 56.64 N +ATOM 1686 CA GLN A 251 39.830-109.813 7.506 1.00 60.61 C +ATOM 1687 C GLN A 251 39.756-111.039 6.586 1.00 58.64 C +ATOM 1688 O GLN A 251 38.664-111.542 6.337 1.00 56.87 O +ATOM 1689 CB GLN A 251 39.766-110.251 8.975 1.00 59.59 C +ATOM 1690 CG GLN A 251 40.175-109.132 9.941 1.00 56.25 C +ATOM 1691 CD GLN A 251 40.274-109.592 11.396 1.00 52.68 C +ATOM 1692 OE1 GLN A 251 39.917-110.688 11.778 1.00 52.24 O +ATOM 1693 NE2 GLN A 251 40.776-108.755 12.277 1.00 47.84 N +ATOM 1694 N PRO A 252 40.910-111.543 6.146 1.00 59.33 N +ATOM 1695 CA PRO A 252 40.941-112.744 5.318 1.00 62.56 C +ATOM 1696 C PRO A 252 40.320-113.943 6.050 1.00 59.51 C +ATOM 1697 O PRO A 252 40.548-114.149 7.241 1.00 57.56 O +ATOM 1698 CB PRO A 252 42.413-112.994 4.984 1.00 62.78 C +ATOM 1699 CG PRO A 252 43.083-111.629 5.168 1.00 58.21 C +ATOM 1700 CD PRO A 252 42.267-110.984 6.279 1.00 58.58 C +ATOM 1701 N GLY A 253 39.581-114.734 5.314 1.00 59.91 N +ATOM 1702 CA GLY A 253 38.988-115.965 5.824 1.00 61.12 C +ATOM 1703 C GLY A 253 40.055-116.970 6.284 1.00 60.45 C +ATOM 1704 O GLY A 253 41.099-117.112 5.661 1.00 58.59 O +ATOM 1705 N LYS A 254 39.803-117.664 7.384 1.00 57.89 N +ATOM 1706 CA LYS A 254 40.709-118.715 7.875 1.00 63.71 C +ATOM 1707 C LYS A 254 40.717-119.906 6.916 1.00 60.84 C +ATOM 1708 O LYS A 254 39.645-120.293 6.445 1.00 60.58 O +ATOM 1709 CB LYS A 254 40.311-119.170 9.287 1.00 62.67 C +ATOM 1710 CG LYS A 254 40.560-118.096 10.345 1.00 58.61 C +ATOM 1711 CD LYS A 254 40.203-118.610 11.752 1.00 56.70 C +ATOM 1712 CE LYS A 254 40.453-117.516 12.796 1.00 53.78 C +ATOM 1713 NZ LYS A 254 40.067-117.953 14.159 1.00 47.73 N +ATOM 1714 N PRO A 255 41.902-120.544 6.665 1.00 60.46 N +ATOM 1715 CA PRO A 255 41.988-121.724 5.817 1.00 64.77 C +ATOM 1716 C PRO A 255 41.162-122.884 6.386 1.00 61.23 C +ATOM 1717 O PRO A 255 41.188-123.130 7.601 1.00 58.14 O +ATOM 1718 CB PRO A 255 43.474-122.090 5.725 1.00 64.56 C +ATOM 1719 CG PRO A 255 44.205-120.839 6.203 1.00 60.47 C +ATOM 1720 CD PRO A 255 43.231-120.160 7.139 1.00 61.34 C +ATOM 1721 N GLY A 256 40.484-123.574 5.526 1.00 60.50 N +ATOM 1722 CA GLY A 256 39.754-124.776 5.892 1.00 61.21 C +ATOM 1723 C GLY A 256 40.699-125.879 6.386 1.00 57.78 C +ATOM 1724 O GLY A 256 41.769-126.081 5.819 1.00 55.29 O +ATOM 1725 N LYS A 257 40.332-126.613 7.460 1.00 56.88 N +ATOM 1726 CA LYS A 257 41.018-127.837 7.918 1.00 63.46 C +ATOM 1727 C LYS A 257 40.421-129.039 7.197 1.00 58.43 C +ATOM 1728 O LYS A 257 39.205-129.139 7.127 1.00 55.38 O +ATOM 1729 CB LYS A 257 40.898-128.003 9.445 1.00 61.53 C +ATOM 1730 CG LYS A 257 41.718-126.988 10.218 1.00 55.76 C +ATOM 1731 CD LYS A 257 41.661-127.290 11.728 1.00 53.08 C +ATOM 1732 CE LYS A 257 42.554-126.322 12.520 1.00 50.59 C +ATOM 1733 NZ LYS A 257 42.582-126.655 13.956 1.00 44.43 N +ATOM 1734 N TYR A 258 41.326-129.919 6.694 1.00 63.25 N +ATOM 1735 CA TYR A 258 41.003-131.265 6.244 1.00 65.72 C +ATOM 1736 C TYR A 258 40.719-132.174 7.429 1.00 55.92 C +ATOM 1737 O TYR A 258 41.368-131.979 8.487 1.00 49.93 O +ATOM 1738 CB TYR A 258 42.158-131.830 5.411 1.00 59.69 C +ATOM 1739 CG TYR A 258 42.183-131.350 3.969 1.00 52.68 C +ATOM 1740 CD1 TYR A 258 41.461-132.051 2.993 1.00 48.18 C +ATOM 1741 CD2 TYR A 258 42.943-130.220 3.590 1.00 47.39 C +ATOM 1742 CE1 TYR A 258 41.472-131.633 1.659 1.00 43.35 C +ATOM 1743 CE2 TYR A 258 42.953-129.785 2.254 1.00 52.63 C +ATOM 1744 CZ TYR A 258 42.217-130.497 1.292 1.00 45.96 C +ATOM 1745 OH TYR A 258 42.233-130.090 0.001 1.00 48.05 O +ATOM 1746 OXT TYR A 258 39.862-133.069 7.203 1.00 45.67 O +TER 1747 TYR A 258 +END diff --git a/protein_pdb_484.txt b/protein_pdb_484.txt new file mode 100644 index 0000000000000000000000000000000000000000..c938dc85cf93c1008c0ff079192cc9e8a4bbcfb6 --- /dev/null +++ b/protein_pdb_484.txt @@ -0,0 +1,1749 @@ +ATOM 1 N GLY A 1 29.477 2.585 13.421 1.00 37.73 N +ATOM 2 CA GLY A 1 28.207 2.071 12.860 1.00 43.56 C +ATOM 3 C GLY A 1 28.438 0.636 12.447 1.00 42.55 C +ATOM 4 O GLY A 1 29.476 0.385 11.850 1.00 41.02 O +ATOM 5 N GLN A 2 27.586 -0.275 12.885 1.00 44.22 N +ATOM 6 CA GLN A 2 27.648 -1.665 12.450 1.00 49.31 C +ATOM 7 C GLN A 2 26.723 -1.821 11.247 1.00 47.40 C +ATOM 8 O GLN A 2 25.552 -1.457 11.336 1.00 45.07 O +ATOM 9 CB GLN A 2 27.249 -2.605 13.596 1.00 48.97 C +ATOM 10 CG GLN A 2 28.328 -2.685 14.695 1.00 44.35 C +ATOM 11 CD GLN A 2 27.928 -3.587 15.875 1.00 40.32 C +ATOM 12 OE1 GLN A 2 26.845 -4.124 15.956 1.00 38.46 O +ATOM 13 NE2 GLN A 2 28.790 -3.761 16.851 1.00 37.69 N +ATOM 14 N ASP A 3 27.271 -2.319 10.144 1.00 44.76 N +ATOM 15 CA ASP A 3 26.535 -2.518 8.909 1.00 51.46 C +ATOM 16 C ASP A 3 25.455 -3.590 9.097 1.00 48.22 C +ATOM 17 O ASP A 3 25.717 -4.700 9.565 1.00 45.27 O +ATOM 18 CB ASP A 3 27.516 -2.877 7.780 1.00 50.60 C +ATOM 19 CG ASP A 3 28.510 -1.742 7.502 1.00 45.08 C +ATOM 20 OD1 ASP A 3 28.056 -0.574 7.455 1.00 42.03 O +ATOM 21 OD2 ASP A 3 29.714 -2.044 7.394 1.00 39.29 O +ATOM 22 N GLY A 4 24.225 -3.244 8.764 1.00 42.55 N +ATOM 23 CA GLY A 4 23.101 -4.171 8.782 1.00 45.45 C +ATOM 24 C GLY A 4 23.321 -5.297 7.771 1.00 44.50 C +ATOM 25 O GLY A 4 23.577 -5.045 6.597 1.00 43.06 O +ATOM 26 N ARG A 5 23.221 -6.545 8.238 1.00 44.38 N +ATOM 27 CA ARG A 5 23.294 -7.717 7.365 1.00 49.91 C +ATOM 28 C ARG A 5 22.076 -7.744 6.450 1.00 48.42 C +ATOM 29 O ARG A 5 20.947 -7.595 6.922 1.00 48.10 O +ATOM 30 CB ARG A 5 23.394 -9.000 8.193 1.00 50.53 C +ATOM 31 CG ARG A 5 24.679 -9.065 9.039 1.00 47.03 C +ATOM 32 CD ARG A 5 24.737 -10.380 9.822 1.00 45.34 C +ATOM 33 NE ARG A 5 25.872 -10.405 10.775 1.00 42.87 N +ATOM 34 CZ ARG A 5 26.163 -11.374 11.617 1.00 39.34 C +ATOM 35 NH1 ARG A 5 25.451 -12.472 11.678 1.00 39.89 N +ATOM 36 NH2 ARG A 5 27.160 -11.260 12.434 1.00 39.33 N +ATOM 37 N ASN A 6 22.302 -7.938 5.164 1.00 49.26 N +ATOM 38 CA ASN A 6 21.226 -8.154 4.201 1.00 54.41 C +ATOM 39 C ASN A 6 20.375 -9.355 4.630 1.00 51.97 C +ATOM 40 O ASN A 6 20.914 -10.399 4.990 1.00 49.28 O +ATOM 41 CB ASN A 6 21.807 -8.366 2.797 1.00 51.95 C +ATOM 42 CG ASN A 6 22.302 -7.086 2.147 1.00 47.59 C +ATOM 43 OD1 ASN A 6 21.882 -5.988 2.477 1.00 44.58 O +ATOM 44 ND2 ASN A 6 23.177 -7.176 1.181 1.00 41.44 N +ATOM 45 N GLY A 7 19.050 -9.206 4.579 1.00 47.09 N +ATOM 46 CA GLY A 7 18.117 -10.294 4.846 1.00 49.04 C +ATOM 47 C GLY A 7 18.316 -11.442 3.849 1.00 48.00 C +ATOM 48 O GLY A 7 18.533 -11.208 2.660 1.00 46.72 O +ATOM 49 N GLU A 8 18.250 -12.669 4.361 1.00 46.30 N +ATOM 50 CA GLU A 8 18.363 -13.870 3.539 1.00 53.43 C +ATOM 51 C GLU A 8 17.209 -13.944 2.536 1.00 51.81 C +ATOM 52 O GLU A 8 16.059 -13.593 2.822 1.00 50.72 O +ATOM 53 CB GLU A 8 18.443 -15.125 4.424 1.00 53.62 C +ATOM 54 CG GLU A 8 19.745 -15.141 5.259 1.00 49.21 C +ATOM 55 CD GLU A 8 19.909 -16.406 6.116 1.00 45.34 C +ATOM 56 OE1 GLU A 8 21.060 -16.627 6.566 1.00 42.58 O +ATOM 57 OE2 GLU A 8 18.902 -17.105 6.349 1.00 42.92 O +ATOM 58 N ARG A 9 17.529 -14.358 1.307 1.00 48.68 N +ATOM 59 CA ARG A 9 16.555 -14.558 0.233 1.00 54.08 C +ATOM 60 C ARG A 9 15.600 -15.678 0.638 1.00 51.25 C +ATOM 61 O ARG A 9 16.050 -16.768 0.938 1.00 49.34 O +ATOM 62 CB ARG A 9 17.317 -14.886 -1.060 1.00 54.03 C +ATOM 63 CG ARG A 9 16.402 -15.049 -2.273 1.00 50.45 C +ATOM 64 CD ARG A 9 17.253 -15.322 -3.516 1.00 49.65 C +ATOM 65 NE ARG A 9 16.442 -15.461 -4.730 1.00 46.80 N +ATOM 66 CZ ARG A 9 16.890 -15.676 -5.949 1.00 43.22 C +ATOM 67 NH1 ARG A 9 18.169 -15.805 -6.194 1.00 43.99 N +ATOM 68 NH2 ARG A 9 16.065 -15.780 -6.944 1.00 43.21 N +ATOM 69 N GLY A 10 14.292 -15.402 0.615 1.00 49.16 N +ATOM 70 CA GLY A 10 13.280 -16.417 0.921 1.00 51.69 C +ATOM 71 C GLY A 10 13.430 -17.658 0.032 1.00 50.32 C +ATOM 72 O GLY A 10 13.707 -17.540 -1.162 1.00 49.23 O +ATOM 73 N GLU A 11 13.256 -18.834 0.647 1.00 46.27 N +ATOM 74 CA GLU A 11 13.359 -20.118 -0.040 1.00 54.15 C +ATOM 75 C GLU A 11 12.305 -20.232 -1.152 1.00 52.03 C +ATOM 76 O GLU A 11 11.162 -19.784 -1.026 1.00 51.15 O +ATOM 77 CB GLU A 11 13.246 -21.281 0.945 1.00 54.94 C +ATOM 78 CG GLU A 11 14.417 -21.339 1.944 1.00 50.33 C +ATOM 79 CD GLU A 11 14.395 -22.594 2.833 1.00 46.75 C +ATOM 80 OE1 GLU A 11 15.468 -22.929 3.379 1.00 43.82 O +ATOM 81 OE2 GLU A 11 13.311 -23.212 2.956 1.00 44.58 O +ATOM 82 N GLN A 12 12.711 -20.827 -2.271 1.00 50.37 N +ATOM 83 CA GLN A 12 11.822 -21.092 -3.392 1.00 57.47 C +ATOM 84 C GLN A 12 10.746 -22.101 -2.961 1.00 54.99 C +ATOM 85 O GLN A 12 11.062 -23.166 -2.444 1.00 51.17 O +ATOM 86 CB GLN A 12 12.660 -21.600 -4.573 1.00 58.03 C +ATOM 87 CG GLN A 12 11.833 -21.841 -5.846 1.00 54.37 C +ATOM 88 CD GLN A 12 12.685 -22.229 -7.053 1.00 49.97 C +ATOM 89 OE1 GLN A 12 13.902 -22.243 -7.040 1.00 48.35 O +ATOM 90 NE2 GLN A 12 12.070 -22.530 -8.173 1.00 45.92 N +ATOM 91 N GLY A 13 9.471 -21.760 -3.173 1.00 50.09 N +ATOM 92 CA GLY A 13 8.365 -22.660 -2.838 1.00 53.59 C +ATOM 93 C GLY A 13 8.475 -24.011 -3.573 1.00 52.00 C +ATOM 94 O GLY A 13 9.000 -24.059 -4.687 1.00 50.93 O +ATOM 95 N PRO A 14 7.969 -25.100 -2.965 1.00 47.79 N +ATOM 96 CA PRO A 14 8.067 -26.431 -3.546 1.00 54.93 C +ATOM 97 C PRO A 14 7.338 -26.507 -4.894 1.00 53.21 C +ATOM 98 O PRO A 14 6.258 -25.943 -5.071 1.00 53.12 O +ATOM 99 CB PRO A 14 7.472 -27.385 -2.508 1.00 56.62 C +ATOM 100 CG PRO A 14 6.522 -26.497 -1.708 1.00 54.70 C +ATOM 101 CD PRO A 14 7.233 -25.143 -1.720 1.00 54.73 C +ATOM 102 N THR A 15 7.927 -27.249 -5.837 1.00 48.85 N +ATOM 103 CA THR A 15 7.312 -27.538 -7.134 1.00 55.43 C +ATOM 104 C THR A 15 5.977 -28.271 -6.917 1.00 51.45 C +ATOM 105 O THR A 15 5.926 -29.251 -6.183 1.00 50.32 O +ATOM 106 CB THR A 15 8.247 -28.381 -8.006 1.00 58.05 C +ATOM 107 OG1 THR A 15 9.507 -27.753 -8.102 1.00 56.76 O +ATOM 108 CG2 THR A 15 7.739 -28.571 -9.432 1.00 55.63 C +ATOM 109 N GLY A 16 4.909 -27.789 -7.544 1.00 49.97 N +ATOM 110 CA GLY A 16 3.597 -28.431 -7.453 1.00 54.52 C +ATOM 111 C GLY A 16 3.615 -29.886 -7.963 1.00 52.84 C +ATOM 112 O GLY A 16 4.432 -30.225 -8.824 1.00 52.94 O +ATOM 113 N PRO A 17 2.720 -30.747 -7.448 1.00 49.07 N +ATOM 114 CA PRO A 17 2.679 -32.152 -7.841 1.00 57.03 C +ATOM 115 C PRO A 17 2.389 -32.299 -9.338 1.00 55.11 C +ATOM 116 O PRO A 17 1.556 -31.591 -9.903 1.00 56.30 O +ATOM 117 CB PRO A 17 1.599 -32.795 -6.970 1.00 59.90 C +ATOM 118 CG PRO A 17 0.672 -31.631 -6.620 1.00 58.11 C +ATOM 119 CD PRO A 17 1.640 -30.444 -6.525 1.00 58.62 C +ATOM 120 N THR A 18 3.055 -33.273 -9.974 1.00 50.16 N +ATOM 121 CA THR A 18 2.799 -33.640 -11.370 1.00 56.73 C +ATOM 122 C THR A 18 1.349 -34.096 -11.526 1.00 52.56 C +ATOM 123 O THR A 18 0.876 -34.951 -10.780 1.00 51.75 O +ATOM 124 CB THR A 18 3.755 -34.762 -11.813 1.00 59.40 C +ATOM 125 OG1 THR A 18 5.094 -34.388 -11.545 1.00 58.48 O +ATOM 126 CG2 THR A 18 3.673 -35.072 -13.305 1.00 57.65 C +ATOM 127 N GLY A 19 0.620 -33.513 -12.482 1.00 49.27 N +ATOM 128 CA GLY A 19 -0.762 -33.896 -12.772 1.00 54.62 C +ATOM 129 C GLY A 19 -0.882 -35.373 -13.195 1.00 52.81 C +ATOM 130 O GLY A 19 0.074 -35.939 -13.735 1.00 53.20 O +ATOM 131 N PRO A 20 -2.050 -36.002 -12.959 1.00 50.15 N +ATOM 132 CA PRO A 20 -2.275 -37.392 -13.333 1.00 57.82 C +ATOM 133 C PRO A 20 -2.144 -37.582 -14.847 1.00 55.09 C +ATOM 134 O PRO A 20 -2.536 -36.724 -15.638 1.00 57.93 O +ATOM 135 CB PRO A 20 -3.671 -37.743 -12.815 1.00 61.41 C +ATOM 136 CG PRO A 20 -4.384 -36.394 -12.779 1.00 59.38 C +ATOM 137 CD PRO A 20 -3.267 -35.412 -12.410 1.00 59.95 C +ATOM 138 N ALA A 21 -1.608 -38.752 -15.258 1.00 54.18 N +ATOM 139 CA ALA A 21 -1.505 -39.109 -16.669 1.00 63.22 C +ATOM 140 C ALA A 21 -2.897 -39.134 -17.320 1.00 59.19 C +ATOM 141 O ALA A 21 -3.826 -39.754 -16.809 1.00 57.06 O +ATOM 142 CB ALA A 21 -0.792 -40.468 -16.796 1.00 64.71 C +ATOM 143 N GLY A 22 -3.027 -38.444 -18.457 1.00 42.89 N +ATOM 144 CA GLY A 22 -4.273 -38.410 -19.215 1.00 47.48 C +ATOM 145 C GLY A 22 -4.664 -39.793 -19.766 1.00 47.31 C +ATOM 146 O GLY A 22 -3.790 -40.633 -20.003 1.00 47.57 O +ATOM 147 N PRO A 23 -5.966 -40.037 -19.992 1.00 46.97 N +ATOM 148 CA PRO A 23 -6.437 -41.286 -20.569 1.00 52.48 C +ATOM 149 C PRO A 23 -5.862 -41.501 -21.979 1.00 49.57 C +ATOM 150 O PRO A 23 -5.657 -40.556 -22.742 1.00 50.58 O +ATOM 151 CB PRO A 23 -7.969 -41.201 -20.562 1.00 54.19 C +ATOM 152 CG PRO A 23 -8.237 -39.691 -20.605 1.00 53.05 C +ATOM 153 CD PRO A 23 -7.073 -39.101 -19.804 1.00 55.45 C +ATOM 154 N ARG A 24 -5.598 -42.770 -22.316 1.00 46.25 N +ATOM 155 CA ARG A 24 -5.088 -43.171 -23.633 1.00 52.65 C +ATOM 156 C ARG A 24 -6.059 -42.727 -24.733 1.00 48.35 C +ATOM 157 O ARG A 24 -7.229 -43.073 -24.690 1.00 48.58 O +ATOM 158 CB ARG A 24 -4.866 -44.695 -23.628 1.00 55.91 C +ATOM 159 CG ARG A 24 -4.225 -45.230 -24.919 1.00 54.59 C +ATOM 160 CD ARG A 24 -3.960 -46.734 -24.778 1.00 55.27 C +ATOM 161 NE ARG A 24 -3.327 -47.303 -25.969 1.00 51.27 N +ATOM 162 CZ ARG A 24 -2.833 -48.521 -26.080 1.00 46.88 C +ATOM 163 NH1 ARG A 24 -2.875 -49.383 -25.098 1.00 48.07 N +ATOM 164 NH2 ARG A 24 -2.276 -48.913 -27.199 1.00 45.41 N +ATOM 165 N GLY A 25 -5.563 -41.953 -25.700 1.00 41.17 N +ATOM 166 CA GLY A 25 -6.365 -41.397 -26.793 1.00 45.27 C +ATOM 167 C GLY A 25 -7.019 -42.469 -27.676 1.00 44.30 C +ATOM 168 O GLY A 25 -6.406 -43.498 -27.978 1.00 43.74 O +ATOM 169 N LEU A 26 -8.278 -42.212 -28.076 1.00 38.80 N +ATOM 170 CA LEU A 26 -8.969 -42.975 -29.114 1.00 44.79 C +ATOM 171 C LEU A 26 -8.320 -42.708 -30.481 1.00 43.54 C +ATOM 172 O LEU A 26 -7.808 -41.619 -30.748 1.00 43.86 O +ATOM 173 CB LEU A 26 -10.473 -42.633 -29.104 1.00 45.35 C +ATOM 174 CG LEU A 26 -11.230 -43.092 -27.845 1.00 42.58 C +ATOM 175 CD1 LEU A 26 -12.658 -42.536 -27.862 1.00 40.38 C +ATOM 176 CD2 LEU A 26 -11.322 -44.612 -27.747 1.00 39.22 C +ATOM 177 N GLN A 27 -8.336 -43.731 -31.336 1.00 45.12 N +ATOM 178 CA GLN A 27 -7.740 -43.687 -32.675 1.00 49.90 C +ATOM 179 C GLN A 27 -8.455 -42.674 -33.589 1.00 46.46 C +ATOM 180 O GLN A 27 -9.671 -42.528 -33.536 1.00 46.12 O +ATOM 181 CB GLN A 27 -7.727 -45.121 -33.243 1.00 51.77 C +ATOM 182 CG GLN A 27 -6.923 -45.255 -34.546 1.00 49.00 C +ATOM 183 CD GLN A 27 -6.761 -46.714 -34.973 1.00 46.15 C +ATOM 184 OE1 GLN A 27 -7.183 -47.652 -34.317 1.00 44.61 O +ATOM 185 NE2 GLN A 27 -6.124 -46.969 -36.091 1.00 43.89 N +ATOM 186 N GLY A 28 -7.668 -41.967 -34.374 1.00 36.73 N +ATOM 187 CA GLY A 28 -7.916 -40.639 -34.897 1.00 40.43 C +ATOM 188 C GLY A 28 -9.175 -40.391 -35.729 1.00 39.61 C +ATOM 189 O GLY A 28 -9.538 -41.163 -36.617 1.00 39.13 O +ATOM 190 N LEU A 29 -9.753 -39.228 -35.503 1.00 39.50 N +ATOM 191 CA LEU A 29 -10.494 -38.460 -36.498 1.00 44.75 C +ATOM 192 C LEU A 29 -9.508 -37.513 -37.204 1.00 44.11 C +ATOM 193 O LEU A 29 -8.501 -37.101 -36.635 1.00 44.32 O +ATOM 194 CB LEU A 29 -11.654 -37.722 -35.818 1.00 44.47 C +ATOM 195 CG LEU A 29 -12.770 -38.649 -35.289 1.00 41.29 C +ATOM 196 CD1 LEU A 29 -13.757 -37.869 -34.432 1.00 39.28 C +ATOM 197 CD2 LEU A 29 -13.555 -39.308 -36.431 1.00 38.16 C +ATOM 198 N GLN A 30 -9.825 -37.212 -38.473 1.00 42.52 N +ATOM 199 CA GLN A 30 -9.088 -36.271 -39.317 1.00 46.60 C +ATOM 200 C GLN A 30 -8.757 -34.990 -38.545 1.00 44.37 C +ATOM 201 O GLN A 30 -9.642 -34.397 -37.937 1.00 44.27 O +ATOM 202 CB GLN A 30 -9.989 -36.004 -40.537 1.00 47.67 C +ATOM 203 CG GLN A 30 -9.390 -35.088 -41.606 1.00 44.45 C +ATOM 204 CD GLN A 30 -10.303 -34.981 -42.834 1.00 41.60 C +ATOM 205 OE1 GLN A 30 -11.322 -35.638 -42.966 1.00 40.91 O +ATOM 206 NE2 GLN A 30 -9.965 -34.164 -43.806 1.00 39.74 N +ATOM 207 N GLY A 31 -7.491 -34.601 -38.554 1.00 39.60 N +ATOM 208 CA GLY A 31 -7.012 -33.467 -37.767 1.00 41.72 C +ATOM 209 C GLY A 31 -7.813 -32.201 -38.074 1.00 41.41 C +ATOM 210 O GLY A 31 -7.791 -31.708 -39.195 1.00 40.21 O +ATOM 211 N LEU A 32 -8.548 -31.732 -37.096 1.00 42.01 N +ATOM 212 CA LEU A 32 -9.133 -30.406 -37.150 1.00 46.09 C +ATOM 213 C LEU A 32 -8.000 -29.376 -37.162 1.00 45.90 C +ATOM 214 O LEU A 32 -6.930 -29.600 -36.591 1.00 45.99 O +ATOM 215 CB LEU A 32 -10.106 -30.204 -35.971 1.00 45.31 C +ATOM 216 CG LEU A 32 -11.347 -31.113 -36.013 1.00 42.42 C +ATOM 217 CD1 LEU A 32 -12.148 -30.991 -34.725 1.00 40.63 C +ATOM 218 CD2 LEU A 32 -12.274 -30.772 -37.183 1.00 39.68 C +ATOM 219 N GLN A 33 -8.237 -28.276 -37.869 1.00 46.82 N +ATOM 220 CA GLN A 33 -7.341 -27.113 -37.846 1.00 50.33 C +ATOM 221 C GLN A 33 -6.961 -26.825 -36.395 1.00 49.26 C +ATOM 222 O GLN A 33 -7.839 -26.720 -35.548 1.00 48.98 O +ATOM 223 CB GLN A 33 -8.091 -25.938 -38.488 1.00 50.36 C +ATOM 224 CG GLN A 33 -7.310 -24.619 -38.506 1.00 46.45 C +ATOM 225 CD GLN A 33 -8.063 -23.495 -39.210 1.00 44.66 C +ATOM 226 OE1 GLN A 33 -9.101 -23.674 -39.826 1.00 45.00 O +ATOM 227 NE2 GLN A 33 -7.570 -22.283 -39.159 1.00 42.72 N +ATOM 228 N GLY A 34 -5.668 -26.722 -36.114 1.00 43.33 N +ATOM 229 CA GLY A 34 -5.199 -26.414 -34.773 1.00 46.10 C +ATOM 230 C GLY A 34 -5.909 -25.172 -34.251 1.00 46.33 C +ATOM 231 O GLY A 34 -5.851 -24.119 -34.891 1.00 44.92 O +ATOM 232 N GLU A 35 -6.635 -25.326 -33.153 1.00 43.62 N +ATOM 233 CA GLU A 35 -7.323 -24.199 -32.541 1.00 47.52 C +ATOM 234 C GLU A 35 -6.299 -23.119 -32.205 1.00 47.80 C +ATOM 235 O GLU A 35 -5.151 -23.381 -31.828 1.00 47.53 O +ATOM 236 CB GLU A 35 -8.132 -24.637 -31.315 1.00 46.58 C +ATOM 237 CG GLU A 35 -9.306 -25.568 -31.714 1.00 41.93 C +ATOM 238 CD GLU A 35 -10.257 -25.881 -30.550 1.00 39.09 C +ATOM 239 OE1 GLU A 35 -11.400 -26.303 -30.862 1.00 37.19 O +ATOM 240 OE2 GLU A 35 -9.852 -25.712 -29.385 1.00 37.47 O +ATOM 241 N ARG A 36 -6.704 -21.872 -32.429 1.00 48.96 N +ATOM 242 CA ARG A 36 -5.894 -20.727 -32.015 1.00 52.17 C +ATOM 243 C ARG A 36 -5.576 -20.913 -30.539 1.00 50.45 C +ATOM 244 O ARG A 36 -6.503 -21.055 -29.754 1.00 50.25 O +ATOM 245 CB ARG A 36 -6.683 -19.440 -32.291 1.00 52.80 C +ATOM 246 CG ARG A 36 -5.935 -18.163 -31.871 1.00 48.62 C +ATOM 247 CD ARG A 36 -6.791 -16.951 -32.224 1.00 49.18 C +ATOM 248 NE ARG A 36 -6.155 -15.688 -31.818 1.00 49.24 N +ATOM 249 CZ ARG A 36 -6.635 -14.466 -32.015 1.00 45.10 C +ATOM 250 NH1 ARG A 36 -7.759 -14.276 -32.638 1.00 46.85 N +ATOM 251 NH2 ARG A 36 -5.993 -13.429 -31.576 1.00 45.72 N +ATOM 252 N GLY A 37 -4.304 -20.903 -30.196 1.00 46.37 N +ATOM 253 CA GLY A 37 -3.891 -21.043 -28.796 1.00 48.39 C +ATOM 254 C GLY A 37 -4.700 -20.111 -27.906 1.00 48.42 C +ATOM 255 O GLY A 37 -4.892 -18.945 -28.251 1.00 46.57 O +ATOM 256 N GLU A 38 -5.226 -20.669 -26.817 1.00 44.49 N +ATOM 257 CA GLU A 38 -6.018 -19.896 -25.872 1.00 48.19 C +ATOM 258 C GLU A 38 -5.232 -18.674 -25.409 1.00 47.53 C +ATOM 259 O GLU A 38 -4.006 -18.700 -25.230 1.00 47.61 O +ATOM 260 CB GLU A 38 -6.461 -20.758 -24.676 1.00 47.96 C +ATOM 261 CG GLU A 38 -7.437 -21.884 -25.082 1.00 43.88 C +ATOM 262 CD GLU A 38 -8.006 -22.639 -23.859 1.00 41.33 C +ATOM 263 OE1 GLU A 38 -9.064 -23.279 -24.038 1.00 39.95 O +ATOM 264 OE2 GLU A 38 -7.396 -22.560 -22.770 1.00 40.19 O +ATOM 265 N GLN A 39 -5.944 -17.566 -25.261 1.00 49.47 N +ATOM 266 CA GLN A 39 -5.350 -16.372 -24.688 1.00 52.07 C +ATOM 267 C GLN A 39 -4.838 -16.721 -23.292 1.00 49.79 C +ATOM 268 O GLN A 39 -5.574 -17.291 -22.489 1.00 48.94 O +ATOM 269 CB GLN A 39 -6.390 -15.247 -24.685 1.00 52.48 C +ATOM 270 CG GLN A 39 -5.847 -13.917 -24.136 1.00 49.40 C +ATOM 271 CD GLN A 39 -6.842 -12.763 -24.247 1.00 46.98 C +ATOM 272 OE1 GLN A 39 -7.899 -12.851 -24.845 1.00 48.31 O +ATOM 273 NE2 GLN A 39 -6.522 -11.613 -23.692 1.00 44.81 N +ATOM 274 N GLY A 40 -3.589 -16.402 -23.014 1.00 46.07 N +ATOM 275 CA GLY A 40 -3.017 -16.643 -21.694 1.00 47.66 C +ATOM 276 C GLY A 40 -3.908 -16.048 -20.598 1.00 47.10 C +ATOM 277 O GLY A 40 -4.527 -15.005 -20.819 1.00 45.43 O +ATOM 278 N PRO A 41 -3.983 -16.683 -19.431 1.00 48.35 N +ATOM 279 CA PRO A 41 -4.817 -16.195 -18.347 1.00 51.90 C +ATOM 280 C PRO A 41 -4.436 -14.750 -18.005 1.00 50.03 C +ATOM 281 O PRO A 41 -3.259 -14.392 -17.982 1.00 49.99 O +ATOM 282 CB PRO A 41 -4.599 -17.154 -17.175 1.00 52.66 C +ATOM 283 CG PRO A 41 -3.233 -17.765 -17.459 1.00 51.74 C +ATOM 284 CD PRO A 41 -3.187 -17.814 -18.989 1.00 53.64 C +ATOM 285 N THR A 42 -5.453 -13.944 -17.726 1.00 51.18 N +ATOM 286 CA THR A 42 -5.237 -12.575 -17.238 1.00 53.02 C +ATOM 287 C THR A 42 -4.326 -12.623 -16.015 1.00 50.17 C +ATOM 288 O THR A 42 -4.571 -13.408 -15.095 1.00 49.54 O +ATOM 289 CB THR A 42 -6.574 -11.905 -16.875 1.00 53.83 C +ATOM 290 OG1 THR A 42 -7.459 -11.986 -17.964 1.00 50.60 O +ATOM 291 CG2 THR A 42 -6.435 -10.434 -16.513 1.00 50.80 C +ATOM 292 N GLY A 43 -3.287 -11.809 -16.016 1.00 47.37 N +ATOM 293 CA GLY A 43 -2.380 -11.720 -14.874 1.00 49.33 C +ATOM 294 C GLY A 43 -3.144 -11.457 -13.568 1.00 49.13 C +ATOM 295 O GLY A 43 -4.194 -10.818 -13.584 1.00 47.73 O +ATOM 296 N PRO A 44 -2.634 -11.947 -12.433 1.00 48.47 N +ATOM 297 CA PRO A 44 -3.278 -11.719 -11.153 1.00 51.70 C +ATOM 298 C PRO A 44 -3.461 -10.216 -10.912 1.00 49.77 C +ATOM 299 O PRO A 44 -2.607 -9.405 -11.274 1.00 49.96 O +ATOM 300 CB PRO A 44 -2.383 -12.379 -10.106 1.00 52.62 C +ATOM 301 CG PRO A 44 -1.011 -12.396 -10.772 1.00 51.90 C +ATOM 302 CD PRO A 44 -1.342 -12.583 -12.248 1.00 53.71 C +ATOM 303 N ALA A 45 -4.580 -9.868 -10.281 1.00 53.15 N +ATOM 304 CA ALA A 45 -4.814 -8.481 -9.890 1.00 55.70 C +ATOM 305 C ALA A 45 -3.641 -7.968 -9.039 1.00 54.79 C +ATOM 306 O ALA A 45 -3.157 -8.674 -8.154 1.00 53.40 O +ATOM 307 CB ALA A 45 -6.150 -8.387 -9.136 1.00 54.85 C +ATOM 308 N GLY A 46 -3.199 -6.751 -9.328 1.00 48.59 N +ATOM 309 CA GLY A 46 -2.147 -6.116 -8.546 1.00 51.19 C +ATOM 310 C GLY A 46 -2.488 -6.093 -7.049 1.00 51.61 C +ATOM 311 O GLY A 46 -3.665 -6.069 -6.680 1.00 50.17 O +ATOM 312 N PRO A 47 -1.481 -6.117 -6.176 1.00 50.58 N +ATOM 313 CA PRO A 47 -1.707 -6.074 -4.745 1.00 54.28 C +ATOM 314 C PRO A 47 -2.545 -4.845 -4.376 1.00 53.17 C +ATOM 315 O PRO A 47 -2.404 -3.768 -4.959 1.00 52.86 O +ATOM 316 CB PRO A 47 -0.321 -6.062 -4.094 1.00 54.42 C +ATOM 317 CG PRO A 47 0.583 -5.484 -5.187 1.00 53.14 C +ATOM 318 CD PRO A 47 -0.060 -6.000 -6.471 1.00 54.83 C +ATOM 319 N ARG A 48 -3.439 -5.022 -3.405 1.00 54.59 N +ATOM 320 CA ARG A 48 -4.223 -3.913 -2.875 1.00 58.58 C +ATOM 321 C ARG A 48 -3.283 -2.823 -2.363 1.00 56.76 C +ATOM 322 O ARG A 48 -2.384 -3.134 -1.592 1.00 54.93 O +ATOM 323 CB ARG A 48 -5.156 -4.445 -1.773 1.00 57.98 C +ATOM 324 CG ARG A 48 -6.089 -3.367 -1.211 1.00 53.53 C +ATOM 325 CD ARG A 48 -7.002 -3.975 -0.148 1.00 53.80 C +ATOM 326 NE ARG A 48 -7.890 -2.972 0.448 1.00 52.87 N +ATOM 327 CZ ARG A 48 -8.796 -3.187 1.391 1.00 47.12 C +ATOM 328 NH1 ARG A 48 -8.998 -4.381 1.882 1.00 48.07 N +ATOM 329 NH2 ARG A 48 -9.517 -2.208 1.850 1.00 46.67 N +ATOM 330 N GLY A 49 -3.528 -1.579 -2.775 1.00 51.55 N +ATOM 331 CA GLY A 49 -2.767 -0.431 -2.273 1.00 53.58 C +ATOM 332 C GLY A 49 -2.733 -0.424 -0.743 1.00 53.81 C +ATOM 333 O GLY A 49 -3.703 -0.813 -0.090 1.00 52.21 O +ATOM 334 N LEU A 50 -1.600 -0.013 -0.191 1.00 54.11 N +ATOM 335 CA LEU A 50 -1.427 0.082 1.246 1.00 58.48 C +ATOM 336 C LEU A 50 -2.509 0.998 1.836 1.00 58.51 C +ATOM 337 O LEU A 50 -2.926 1.984 1.226 1.00 56.99 O +ATOM 338 CB LEU A 50 -0.014 0.579 1.597 1.00 57.10 C +ATOM 339 CG LEU A 50 1.117 -0.386 1.200 1.00 53.69 C +ATOM 340 CD1 LEU A 50 2.482 0.240 1.492 1.00 51.96 C +ATOM 341 CD2 LEU A 50 1.041 -1.718 1.944 1.00 50.68 C +ATOM 342 N GLN A 51 -3.002 0.629 3.008 1.00 60.84 N +ATOM 343 CA GLN A 51 -3.926 1.490 3.733 1.00 64.53 C +ATOM 344 C GLN A 51 -3.214 2.812 4.039 1.00 63.26 C +ATOM 345 O GLN A 51 -2.109 2.780 4.563 1.00 60.14 O +ATOM 346 CB GLN A 51 -4.411 0.761 4.989 1.00 62.53 C +ATOM 347 CG GLN A 51 -5.429 1.591 5.789 1.00 58.43 C +ATOM 348 CD GLN A 51 -6.034 0.831 6.971 1.00 56.75 C +ATOM 349 OE1 GLN A 51 -5.854 -0.360 7.178 1.00 56.12 O +ATOM 350 NE2 GLN A 51 -6.820 1.489 7.794 1.00 52.24 N +ATOM 351 N GLY A 52 -3.855 3.932 3.717 1.00 55.02 N +ATOM 352 CA GLY A 52 -3.316 5.249 4.053 1.00 56.81 C +ATOM 353 C GLY A 52 -2.963 5.335 5.542 1.00 57.90 C +ATOM 354 O GLY A 52 -3.659 4.777 6.386 1.00 56.06 O +ATOM 355 N GLU A 53 -1.859 6.016 5.841 1.00 54.24 N +ATOM 356 CA GLU A 53 -1.406 6.208 7.212 1.00 58.82 C +ATOM 357 C GLU A 53 -2.497 6.885 8.039 1.00 58.80 C +ATOM 358 O GLU A 53 -3.312 7.681 7.555 1.00 57.82 O +ATOM 359 CB GLU A 53 -0.096 6.995 7.255 1.00 57.28 C +ATOM 360 CG GLU A 53 1.054 6.206 6.587 1.00 52.62 C +ATOM 361 CD GLU A 53 2.430 6.880 6.767 1.00 49.77 C +ATOM 362 OE1 GLU A 53 3.427 6.157 6.538 1.00 47.69 O +ATOM 363 OE2 GLU A 53 2.463 8.067 7.122 1.00 46.00 O +ATOM 364 N ARG A 54 -2.556 6.501 9.317 1.00 62.97 N +ATOM 365 CA ARG A 54 -3.486 7.145 10.247 1.00 67.18 C +ATOM 366 C ARG A 54 -3.107 8.619 10.351 1.00 65.66 C +ATOM 367 O ARG A 54 -1.958 8.914 10.643 1.00 62.18 O +ATOM 368 CB ARG A 54 -3.432 6.428 11.605 1.00 64.61 C +ATOM 369 CG ARG A 54 -4.417 7.028 12.620 1.00 59.67 C +ATOM 370 CD ARG A 54 -4.334 6.261 13.940 1.00 60.88 C +ATOM 371 NE ARG A 54 -5.250 6.808 14.942 1.00 58.45 N +ATOM 372 CZ ARG A 54 -5.420 6.358 16.182 1.00 53.25 C +ATOM 373 NH1 ARG A 54 -4.754 5.335 16.627 1.00 53.22 N +ATOM 374 NH2 ARG A 54 -6.265 6.945 16.985 1.00 51.62 N +ATOM 375 N GLY A 55 -4.077 9.507 10.160 1.00 58.79 N +ATOM 376 CA GLY A 55 -3.846 10.939 10.339 1.00 59.47 C +ATOM 377 C GLY A 55 -3.228 11.237 11.709 1.00 60.34 C +ATOM 378 O GLY A 55 -3.566 10.594 12.699 1.00 58.15 O +ATOM 379 N GLU A 56 -2.311 12.200 11.736 1.00 56.28 N +ATOM 380 CA GLU A 56 -1.660 12.631 12.976 1.00 60.89 C +ATOM 381 C GLU A 56 -2.695 13.082 14.005 1.00 59.71 C +ATOM 382 O GLU A 56 -3.746 13.644 13.684 1.00 58.15 O +ATOM 383 CB GLU A 56 -0.640 13.736 12.700 1.00 59.32 C +ATOM 384 CG GLU A 56 0.545 13.259 11.830 1.00 55.09 C +ATOM 385 CD GLU A 56 1.653 14.320 11.698 1.00 52.77 C +ATOM 386 OE1 GLU A 56 2.768 13.924 11.283 1.00 50.71 O +ATOM 387 OE2 GLU A 56 1.391 15.499 12.018 1.00 49.05 O +ATOM 388 N GLN A 57 -2.401 12.797 15.265 1.00 64.75 N +ATOM 389 CA GLN A 57 -3.241 13.272 16.355 1.00 67.58 C +ATOM 390 C GLN A 57 -3.224 14.803 16.369 1.00 65.96 C +ATOM 391 O GLN A 57 -2.161 15.411 16.312 1.00 62.19 O +ATOM 392 CB GLN A 57 -2.757 12.665 17.679 1.00 65.61 C +ATOM 393 CG GLN A 57 -3.655 13.054 18.858 1.00 62.20 C +ATOM 394 CD GLN A 57 -3.266 12.370 20.164 1.00 61.08 C +ATOM 395 OE1 GLN A 57 -2.412 11.508 20.258 1.00 60.10 O +ATOM 396 NE2 GLN A 57 -3.908 12.727 21.263 1.00 56.40 N +ATOM 397 N GLY A 58 -4.391 15.411 16.442 1.00 58.15 N +ATOM 398 CA GLY A 58 -4.487 16.857 16.545 1.00 58.59 C +ATOM 399 C GLY A 58 -3.673 17.404 17.728 1.00 58.22 C +ATOM 400 O GLY A 58 -3.516 16.718 18.736 1.00 56.27 O +ATOM 401 N PRO A 59 -3.151 18.639 17.614 1.00 57.47 N +ATOM 402 CA PRO A 59 -2.348 19.234 18.677 1.00 61.52 C +ATOM 403 C PRO A 59 -3.142 19.291 19.990 1.00 59.63 C +ATOM 404 O PRO A 59 -4.355 19.508 19.993 1.00 57.90 O +ATOM 405 CB PRO A 59 -1.956 20.626 18.177 1.00 61.36 C +ATOM 406 CG PRO A 59 -3.047 20.964 17.163 1.00 60.06 C +ATOM 407 CD PRO A 59 -3.383 19.592 16.560 1.00 62.33 C +ATOM 408 N THR A 60 -2.446 19.095 21.102 1.00 63.76 N +ATOM 409 CA THR A 60 -3.041 19.252 22.427 1.00 65.40 C +ATOM 410 C THR A 60 -3.571 20.680 22.578 1.00 63.39 C +ATOM 411 O THR A 60 -2.860 21.631 22.264 1.00 59.85 O +ATOM 412 CB THR A 60 -2.025 18.946 23.539 1.00 64.04 C +ATOM 413 OG1 THR A 60 -1.460 17.665 23.334 1.00 59.95 O +ATOM 414 CG2 THR A 60 -2.641 18.936 24.933 1.00 60.46 C +ATOM 415 N GLY A 61 -4.793 20.817 23.081 1.00 55.36 N +ATOM 416 CA GLY A 61 -5.367 22.130 23.373 1.00 56.87 C +ATOM 417 C GLY A 61 -4.459 22.949 24.300 1.00 57.09 C +ATOM 418 O GLY A 61 -3.793 22.412 25.183 1.00 55.24 O +ATOM 419 N LEU A 62 -4.420 24.253 24.063 1.00 56.28 N +ATOM 420 CA LEU A 62 -3.642 25.169 24.894 1.00 61.89 C +ATOM 421 C LEU A 62 -4.104 25.077 26.355 1.00 59.80 C +ATOM 422 O LEU A 62 -5.291 24.902 26.632 1.00 58.30 O +ATOM 423 CB LEU A 62 -3.745 26.609 24.358 1.00 60.91 C +ATOM 424 CG LEU A 62 -3.118 26.825 22.962 1.00 58.49 C +ATOM 425 CD1 LEU A 62 -3.385 28.263 22.495 1.00 56.77 C +ATOM 426 CD2 LEU A 62 -1.607 26.594 22.962 1.00 55.39 C +ATOM 427 N ALA A 63 -3.164 25.214 27.288 1.00 64.83 N +ATOM 428 CA ALA A 63 -3.509 25.273 28.702 1.00 68.36 C +ATOM 429 C ALA A 63 -4.468 26.446 28.962 1.00 67.59 C +ATOM 430 O ALA A 63 -4.293 27.534 28.410 1.00 63.87 O +ATOM 431 CB ALA A 63 -2.227 25.381 29.528 1.00 65.36 C +ATOM 432 N GLY A 64 -5.459 26.207 29.821 1.00 56.87 N +ATOM 433 CA GLY A 64 -6.363 27.261 30.264 1.00 59.06 C +ATOM 434 C GLY A 64 -5.594 28.419 30.896 1.00 59.34 C +ATOM 435 O GLY A 64 -4.553 28.224 31.525 1.00 57.30 O +ATOM 436 N LYS A 65 -6.096 29.634 30.710 1.00 58.64 N +ATOM 437 CA LYS A 65 -5.491 30.821 31.321 1.00 64.95 C +ATOM 438 C LYS A 65 -5.494 30.673 32.840 1.00 61.74 C +ATOM 439 O LYS A 65 -6.430 30.120 33.418 1.00 61.43 O +ATOM 440 CB LYS A 65 -6.225 32.099 30.886 1.00 63.51 C +ATOM 441 CG LYS A 65 -6.053 32.399 29.394 1.00 60.18 C +ATOM 442 CD LYS A 65 -6.766 33.711 29.026 1.00 58.80 C +ATOM 443 CE LYS A 65 -6.622 34.012 27.532 1.00 54.91 C +ATOM 444 NZ LYS A 65 -7.343 35.257 27.158 1.00 48.69 N +ATOM 445 N ALA A 66 -4.438 31.161 33.488 1.00 66.61 N +ATOM 446 CA ALA A 66 -4.414 31.226 34.942 1.00 70.12 C +ATOM 447 C ALA A 66 -5.600 32.069 35.440 1.00 69.14 C +ATOM 448 O ALA A 66 -5.936 33.085 34.825 1.00 65.31 O +ATOM 449 CB ALA A 66 -3.069 31.796 35.406 1.00 67.05 C +ATOM 450 N GLY A 67 -6.202 31.637 36.541 1.00 60.99 N +ATOM 451 CA GLY A 67 -7.265 32.407 37.191 1.00 63.00 C +ATOM 452 C GLY A 67 -6.773 33.789 37.619 1.00 64.48 C +ATOM 453 O GLY A 67 -5.597 33.972 37.947 1.00 62.17 O +ATOM 454 N GLU A 68 -7.665 34.749 37.609 1.00 54.28 N +ATOM 455 CA GLU A 68 -7.350 36.105 38.058 1.00 60.03 C +ATOM 456 C GLU A 68 -6.931 36.101 39.535 1.00 56.91 C +ATOM 457 O GLU A 68 -7.401 35.298 40.342 1.00 56.30 O +ATOM 458 CB GLU A 68 -8.526 37.058 37.810 1.00 59.87 C +ATOM 459 CG GLU A 68 -8.790 37.242 36.298 1.00 56.12 C +ATOM 460 CD GLU A 68 -9.872 38.292 35.984 1.00 53.66 C +ATOM 461 OE1 GLU A 68 -9.920 38.695 34.793 1.00 51.85 O +ATOM 462 OE2 GLU A 68 -10.617 38.673 36.902 1.00 51.56 O +ATOM 463 N ALA A 69 -5.992 36.986 39.876 1.00 65.66 N +ATOM 464 CA ALA A 69 -5.590 37.155 41.268 1.00 68.01 C +ATOM 465 C ALA A 69 -6.794 37.620 42.100 1.00 66.75 C +ATOM 466 O ALA A 69 -7.562 38.476 41.669 1.00 63.37 O +ATOM 467 CB ALA A 69 -4.427 38.144 41.343 1.00 65.71 C +ATOM 468 N GLY A 70 -6.913 37.062 43.311 1.00 61.98 N +ATOM 469 CA GLY A 70 -7.955 37.486 44.237 1.00 63.02 C +ATOM 470 C GLY A 70 -7.872 38.988 44.537 1.00 63.69 C +ATOM 471 O GLY A 70 -6.786 39.568 44.586 1.00 61.18 O +ATOM 472 N ALA A 71 -9.030 39.615 44.757 1.00 60.85 N +ATOM 473 CA ALA A 71 -9.097 41.026 45.112 1.00 65.51 C +ATOM 474 C ALA A 71 -8.301 41.293 46.403 1.00 64.57 C +ATOM 475 O ALA A 71 -8.246 40.466 47.314 1.00 62.98 O +ATOM 476 CB ALA A 71 -10.570 41.446 45.236 1.00 63.46 C +ATOM 477 N LYS A 72 -7.660 42.452 46.468 1.00 63.64 N +ATOM 478 CA LYS A 72 -6.960 42.876 47.680 1.00 69.61 C +ATOM 479 C LYS A 72 -7.966 42.995 48.825 1.00 67.41 C +ATOM 480 O LYS A 72 -9.008 43.610 48.640 1.00 64.97 O +ATOM 481 CB LYS A 72 -6.243 44.199 47.404 1.00 66.40 C +ATOM 482 CG LYS A 72 -5.409 44.682 48.597 1.00 63.01 C +ATOM 483 CD LYS A 72 -4.714 45.999 48.238 1.00 62.35 C +ATOM 484 CE LYS A 72 -3.933 46.531 49.438 1.00 59.14 C +ATOM 485 NZ LYS A 72 -3.339 47.856 49.129 1.00 52.70 N +ATOM 486 N GLY A 73 -7.620 42.463 49.988 1.00 61.29 N +ATOM 487 CA GLY A 73 -8.461 42.600 51.181 1.00 62.81 C +ATOM 488 C GLY A 73 -8.741 44.060 51.528 1.00 64.15 C +ATOM 489 O GLY A 73 -7.890 44.936 51.341 1.00 62.11 O +ATOM 490 N GLU A 74 -9.935 44.320 52.040 1.00 55.56 N +ATOM 491 CA GLU A 74 -10.332 45.656 52.469 1.00 60.63 C +ATOM 492 C GLU A 74 -9.470 46.133 53.640 1.00 58.45 C +ATOM 493 O GLU A 74 -8.965 45.354 54.453 1.00 57.52 O +ATOM 494 CB GLU A 74 -11.827 45.701 52.828 1.00 60.05 C +ATOM 495 CG GLU A 74 -12.720 45.433 51.592 1.00 57.04 C +ATOM 496 CD GLU A 74 -14.223 45.638 51.878 1.00 54.37 C +ATOM 497 OE1 GLU A 74 -14.969 45.768 50.884 1.00 52.89 O +ATOM 498 OE2 GLU A 74 -14.595 45.678 53.068 1.00 52.16 O +ATOM 499 N THR A 75 -9.239 47.437 53.708 1.00 65.65 N +ATOM 500 CA THR A 75 -8.541 48.034 54.852 1.00 66.91 C +ATOM 501 C THR A 75 -9.419 47.907 56.083 1.00 63.84 C +ATOM 502 O THR A 75 -10.599 48.240 56.027 1.00 60.97 O +ATOM 503 CB THR A 75 -8.194 49.504 54.579 1.00 66.11 C +ATOM 504 OG1 THR A 75 -7.425 49.600 53.401 1.00 62.50 O +ATOM 505 CG2 THR A 75 -7.363 50.141 55.691 1.00 62.29 C +ATOM 506 N GLY A 76 -8.831 47.429 57.176 1.00 60.16 N +ATOM 507 CA GLY A 76 -9.566 47.349 58.440 1.00 60.73 C +ATOM 508 C GLY A 76 -10.148 48.707 58.865 1.00 60.94 C +ATOM 509 O GLY A 76 -9.578 49.754 58.547 1.00 59.44 O +ATOM 510 N PRO A 77 -11.263 48.712 59.628 1.00 60.96 N +ATOM 511 CA PRO A 77 -11.888 49.939 60.099 1.00 63.94 C +ATOM 512 C PRO A 77 -10.934 50.727 60.999 1.00 61.57 C +ATOM 513 O PRO A 77 -10.044 50.163 61.649 1.00 60.32 O +ATOM 514 CB PRO A 77 -13.164 49.500 60.836 1.00 63.80 C +ATOM 515 CG PRO A 77 -12.837 48.083 61.289 1.00 62.58 C +ATOM 516 CD PRO A 77 -11.957 47.550 60.156 1.00 65.91 C +ATOM 517 N ALA A 78 -11.111 52.044 61.051 1.00 63.47 N +ATOM 518 CA ALA A 78 -10.362 52.874 61.990 1.00 65.40 C +ATOM 519 C ALA A 78 -10.663 52.440 63.436 1.00 64.18 C +ATOM 520 O ALA A 78 -11.807 52.144 63.770 1.00 61.11 O +ATOM 521 CB ALA A 78 -10.699 54.347 61.748 1.00 63.72 C +ATOM 522 N GLY A 79 -9.629 52.433 64.271 1.00 58.87 N +ATOM 523 CA GLY A 79 -9.799 52.138 65.690 1.00 60.15 C +ATOM 524 C GLY A 79 -10.756 53.120 66.373 1.00 61.13 C +ATOM 525 O GLY A 79 -10.868 54.271 65.949 1.00 59.98 O +ATOM 526 N PRO A 80 -11.423 52.705 67.468 1.00 61.58 N +ATOM 527 CA PRO A 80 -12.340 53.560 68.208 1.00 65.07 C +ATOM 528 C PRO A 80 -11.605 54.781 68.777 1.00 64.05 C +ATOM 529 O PRO A 80 -10.413 54.728 69.090 1.00 62.96 O +ATOM 530 CB PRO A 80 -12.953 52.677 69.300 1.00 64.17 C +ATOM 531 CG PRO A 80 -11.888 51.605 69.516 1.00 61.84 C +ATOM 532 CD PRO A 80 -11.291 51.407 68.131 1.00 64.33 C +ATOM 533 N GLN A 81 -12.333 55.882 68.946 1.00 59.80 N +ATOM 534 CA GLN A 81 -11.779 57.057 69.620 1.00 63.34 C +ATOM 535 C GLN A 81 -11.411 56.700 71.063 1.00 61.46 C +ATOM 536 O GLN A 81 -12.179 56.048 71.763 1.00 58.99 O +ATOM 537 CB GLN A 81 -12.800 58.202 69.551 1.00 62.13 C +ATOM 538 CG GLN A 81 -12.239 59.513 70.138 1.00 59.25 C +ATOM 539 CD GLN A 81 -13.201 60.687 70.006 1.00 57.75 C +ATOM 540 OE1 GLN A 81 -14.264 60.632 69.432 1.00 57.72 O +ATOM 541 NE2 GLN A 81 -12.841 61.831 70.544 1.00 53.43 N +ATOM 542 N GLY A 82 -10.242 57.156 71.499 1.00 62.57 N +ATOM 543 CA GLY A 82 -9.808 56.946 72.877 1.00 63.39 C +ATOM 544 C GLY A 82 -10.800 57.511 73.898 1.00 65.31 C +ATOM 545 O GLY A 82 -11.508 58.481 73.612 1.00 63.87 O +ATOM 546 N PRO A 83 -10.853 56.933 75.110 1.00 62.29 N +ATOM 547 CA PRO A 83 -11.751 57.394 76.155 1.00 65.46 C +ATOM 548 C PRO A 83 -11.468 58.861 76.501 1.00 64.79 C +ATOM 549 O PRO A 83 -10.338 59.354 76.403 1.00 63.27 O +ATOM 550 CB PRO A 83 -11.526 56.447 77.341 1.00 63.90 C +ATOM 551 CG PRO A 83 -10.105 55.948 77.133 1.00 60.84 C +ATOM 552 CD PRO A 83 -9.974 55.872 75.615 1.00 62.56 C +ATOM 553 N ARG A 84 -12.500 59.556 76.909 1.00 65.46 N +ATOM 554 CA ARG A 84 -12.336 60.916 77.410 1.00 69.17 C +ATOM 555 C ARG A 84 -11.406 60.906 78.616 1.00 67.45 C +ATOM 556 O ARG A 84 -11.574 60.074 79.508 1.00 64.22 O +ATOM 557 CB ARG A 84 -13.713 61.497 77.756 1.00 66.18 C +ATOM 558 CG ARG A 84 -13.626 62.947 78.242 1.00 62.34 C +ATOM 559 CD ARG A 84 -15.023 63.488 78.520 1.00 62.46 C +ATOM 560 NE ARG A 84 -14.973 64.869 79.037 1.00 60.30 N +ATOM 561 CZ ARG A 84 -16.009 65.632 79.343 1.00 54.57 C +ATOM 562 NH1 ARG A 84 -17.231 65.195 79.220 1.00 54.62 N +ATOM 563 NH2 ARG A 84 -15.826 66.836 79.789 1.00 53.97 N +ATOM 564 N GLY A 85 -10.448 61.830 78.677 1.00 62.66 N +ATOM 565 CA GLY A 85 -9.571 61.980 79.825 1.00 63.48 C +ATOM 566 C GLY A 85 -10.359 62.201 81.120 1.00 66.42 C +ATOM 567 O GLY A 85 -11.424 62.826 81.114 1.00 64.63 O +ATOM 568 N GLU A 86 -9.812 61.684 82.211 1.00 54.99 N +ATOM 569 CA GLU A 86 -10.407 61.843 83.532 1.00 60.98 C +ATOM 570 C GLU A 86 -10.529 63.322 83.905 1.00 59.30 C +ATOM 571 O GLU A 86 -9.719 64.171 83.515 1.00 58.34 O +ATOM 572 CB GLU A 86 -9.610 61.072 84.590 1.00 59.84 C +ATOM 573 CG GLU A 86 -9.640 59.544 84.353 1.00 55.87 C +ATOM 574 CD GLU A 86 -8.973 58.743 85.482 1.00 53.19 C +ATOM 575 OE1 GLU A 86 -9.224 57.510 85.519 1.00 51.02 O +ATOM 576 OE2 GLU A 86 -8.243 59.350 86.291 1.00 49.95 O +ATOM 577 N GLN A 87 -11.567 63.642 84.672 1.00 63.75 N +ATOM 578 CA GLN A 87 -11.717 64.998 85.187 1.00 65.76 C +ATOM 579 C GLN A 87 -10.537 65.323 86.104 1.00 62.97 C +ATOM 580 O GLN A 87 -10.188 64.525 86.976 1.00 59.80 O +ATOM 581 CB GLN A 87 -13.080 65.121 85.894 1.00 64.56 C +ATOM 582 CG GLN A 87 -13.343 66.554 86.393 1.00 61.83 C +ATOM 583 CD GLN A 87 -14.732 66.739 87.000 1.00 60.75 C +ATOM 584 OE1 GLN A 87 -15.587 65.878 87.023 1.00 61.13 O +ATOM 585 NE2 GLN A 87 -15.023 67.916 87.509 1.00 56.96 N +ATOM 586 N GLY A 88 -9.941 66.479 85.918 1.00 60.95 N +ATOM 587 CA GLY A 88 -8.866 66.933 86.792 1.00 61.48 C +ATOM 588 C GLY A 88 -9.310 66.979 88.265 1.00 62.61 C +ATOM 589 O GLY A 88 -10.491 67.219 88.542 1.00 60.77 O +ATOM 590 N PRO A 89 -8.385 66.749 89.191 1.00 60.85 N +ATOM 591 CA PRO A 89 -8.706 66.768 90.611 1.00 63.86 C +ATOM 592 C PRO A 89 -9.294 68.129 91.019 1.00 61.87 C +ATOM 593 O PRO A 89 -8.926 69.179 90.474 1.00 59.88 O +ATOM 594 CB PRO A 89 -7.398 66.459 91.350 1.00 63.08 C +ATOM 595 CG PRO A 89 -6.321 66.897 90.361 1.00 60.49 C +ATOM 596 CD PRO A 89 -6.950 66.587 88.998 1.00 62.92 C +ATOM 597 N GLN A 90 -10.187 68.098 91.990 1.00 62.80 N +ATOM 598 CA GLN A 90 -10.729 69.329 92.547 1.00 65.14 C +ATOM 599 C GLN A 90 -9.605 70.180 93.137 1.00 62.17 C +ATOM 600 O GLN A 90 -8.718 69.663 93.815 1.00 59.05 O +ATOM 601 CB GLN A 90 -11.812 68.982 93.579 1.00 63.94 C +ATOM 602 CG GLN A 90 -12.531 70.229 94.135 1.00 60.61 C +ATOM 603 CD GLN A 90 -13.680 69.896 95.085 1.00 59.84 C +ATOM 604 OE1 GLN A 90 -14.043 68.760 95.335 1.00 58.84 O +ATOM 605 NE2 GLN A 90 -14.323 70.894 95.663 1.00 54.51 N +ATOM 606 N GLY A 91 -9.647 71.490 92.880 1.00 57.91 N +ATOM 607 CA GLY A 91 -8.690 72.421 93.463 1.00 58.52 C +ATOM 608 C GLY A 91 -8.705 72.360 94.994 1.00 59.21 C +ATOM 609 O GLY A 91 -9.750 72.144 95.609 1.00 57.27 O +ATOM 610 N LEU A 92 -7.523 72.525 95.575 1.00 57.71 N +ATOM 611 CA LEU A 92 -7.407 72.538 97.030 1.00 61.36 C +ATOM 612 C LEU A 92 -8.231 73.694 97.621 1.00 60.10 C +ATOM 613 O LEU A 92 -8.343 74.757 96.996 1.00 58.73 O +ATOM 614 CB LEU A 92 -5.926 72.650 97.441 1.00 60.19 C +ATOM 615 CG LEU A 92 -5.053 71.433 97.043 1.00 57.51 C +ATOM 616 CD1 LEU A 92 -3.598 71.717 97.397 1.00 55.77 C +ATOM 617 CD2 LEU A 92 -5.486 70.159 97.757 1.00 54.75 C +ATOM 618 N PRO A 93 -8.762 73.522 98.843 1.00 63.41 N +ATOM 619 CA PRO A 93 -9.433 74.611 99.541 1.00 65.21 C +ATOM 620 C PRO A 93 -8.532 75.841 99.640 1.00 61.95 C +ATOM 621 O PRO A 93 -7.320 75.717 99.875 1.00 60.34 O +ATOM 622 CB PRO A 93 -9.799 74.064 100.930 1.00 65.63 C +ATOM 623 CG PRO A 93 -9.875 72.562 100.723 1.00 62.46 C +ATOM 624 CD PRO A 93 -8.827 72.282 99.661 1.00 65.84 C +ATOM 625 N GLY A 94 -9.121 77.003 99.486 1.00 57.33 N +ATOM 626 CA GLY A 94 -8.414 78.259 99.673 1.00 58.67 C +ATOM 627 C GLY A 94 -7.759 78.342 101.053 1.00 59.42 C +ATOM 628 O GLY A 94 -8.269 77.811 102.038 1.00 57.61 O +ATOM 629 N ALA A 95 -6.637 79.024 101.115 1.00 54.83 N +ATOM 630 CA ALA A 95 -5.957 79.241 102.384 1.00 58.24 C +ATOM 631 C ALA A 95 -6.876 79.979 103.372 1.00 57.95 C +ATOM 632 O ALA A 95 -7.657 80.857 102.999 1.00 56.42 O +ATOM 633 CB ALA A 95 -4.653 80.007 102.120 1.00 56.73 C +ATOM 634 N ARG A 96 -6.762 79.560 104.580 1.00 58.49 N +ATOM 635 CA ARG A 96 -7.504 80.243 105.630 1.00 61.56 C +ATOM 636 C ARG A 96 -7.115 81.717 105.675 1.00 59.22 C +ATOM 637 O ARG A 96 -5.926 82.020 105.678 1.00 57.02 O +ATOM 638 CB ARG A 96 -7.249 79.539 106.963 1.00 60.21 C +ATOM 639 CG ARG A 96 -8.070 80.134 108.112 1.00 54.22 C +ATOM 640 CD ARG A 96 -7.840 79.338 109.395 1.00 54.63 C +ATOM 641 NE ARG A 96 -8.649 79.857 110.495 1.00 53.48 N +ATOM 642 CZ ARG A 96 -8.744 79.357 111.711 1.00 47.78 C +ATOM 643 NH1 ARG A 96 -8.050 78.309 112.078 1.00 49.00 N +ATOM 644 NH2 ARG A 96 -9.546 79.892 112.579 1.00 48.28 N +ATOM 645 N GLY A 97 -8.086 82.613 105.806 1.00 58.18 N +ATOM 646 CA GLY A 97 -7.865 84.045 105.920 1.00 59.45 C +ATOM 647 C GLY A 97 -6.929 84.392 107.083 1.00 60.40 C +ATOM 648 O GLY A 97 -6.963 83.751 108.141 1.00 58.61 O +ATOM 649 N GLU A 98 -6.075 85.356 106.837 1.00 50.34 N +ATOM 650 CA GLU A 98 -5.135 85.801 107.856 1.00 53.22 C +ATOM 651 C GLU A 98 -5.858 86.285 109.112 1.00 52.32 C +ATOM 652 O GLU A 98 -6.950 86.866 109.065 1.00 51.60 O +ATOM 653 CB GLU A 98 -4.211 86.899 107.305 1.00 52.99 C +ATOM 654 CG GLU A 98 -3.297 86.371 106.172 1.00 48.74 C +ATOM 655 CD GLU A 98 -2.229 87.372 105.734 1.00 46.76 C +ATOM 656 OE1 GLU A 98 -1.268 86.929 105.044 1.00 44.78 O +ATOM 657 OE2 GLU A 98 -2.347 88.563 106.097 1.00 43.82 O +ATOM 658 N ARG A 99 -5.237 85.987 110.225 1.00 55.45 N +ATOM 659 CA ARG A 99 -5.774 86.464 111.502 1.00 56.78 C +ATOM 660 C ARG A 99 -5.710 87.987 111.526 1.00 54.29 C +ATOM 661 O ARG A 99 -4.649 88.557 111.277 1.00 53.01 O +ATOM 662 CB ARG A 99 -4.995 85.814 112.659 1.00 56.80 C +ATOM 663 CG ARG A 99 -5.534 86.248 114.034 1.00 51.48 C +ATOM 664 CD ARG A 99 -4.723 85.647 115.189 1.00 52.03 C +ATOM 665 NE ARG A 99 -4.986 84.213 115.401 1.00 51.05 N +ATOM 666 CZ ARG A 99 -4.376 83.407 116.252 1.00 45.42 C +ATOM 667 NH1 ARG A 99 -3.408 83.814 117.005 1.00 47.29 N +ATOM 668 NH2 ARG A 99 -4.735 82.142 116.352 1.00 46.10 N +ATOM 669 N GLY A 100 -6.807 88.615 111.880 1.00 57.35 N +ATOM 670 CA GLY A 100 -6.853 90.061 112.056 1.00 57.82 C +ATOM 671 C GLY A 100 -5.780 90.558 113.038 1.00 57.81 C +ATOM 672 O GLY A 100 -5.500 89.888 114.034 1.00 56.07 O +ATOM 673 N PHE A 101 -5.198 91.722 112.754 1.00 51.27 N +ATOM 674 CA PHE A 101 -4.187 92.335 113.610 1.00 54.42 C +ATOM 675 C PHE A 101 -4.742 92.614 115.017 1.00 53.08 C +ATOM 676 O PHE A 101 -5.914 92.960 115.156 1.00 52.51 O +ATOM 677 CB PHE A 101 -3.657 93.628 112.960 1.00 54.24 C +ATOM 678 CG PHE A 101 -2.851 93.391 111.689 1.00 51.69 C +ATOM 679 CD1 PHE A 101 -1.496 93.029 111.766 1.00 49.67 C +ATOM 680 CD2 PHE A 101 -3.460 93.511 110.425 1.00 48.11 C +ATOM 681 CE1 PHE A 101 -0.756 92.786 110.603 1.00 44.16 C +ATOM 682 CE2 PHE A 101 -2.719 93.265 109.262 1.00 46.23 C +ATOM 683 CZ PHE A 101 -1.367 92.898 109.339 1.00 46.18 C +ATOM 684 N PRO A 102 -3.901 92.442 116.018 1.00 55.41 N +ATOM 685 CA PRO A 102 -4.319 92.754 117.372 1.00 56.77 C +ATOM 686 C PRO A 102 -4.713 94.234 117.470 1.00 54.98 C +ATOM 687 O PRO A 102 -3.873 95.103 117.237 1.00 53.65 O +ATOM 688 CB PRO A 102 -3.128 92.411 118.269 1.00 56.88 C +ATOM 689 CG PRO A 102 -2.249 91.507 117.424 1.00 54.06 C +ATOM 690 CD PRO A 102 -2.524 91.956 116.004 1.00 56.95 C +ATOM 691 N GLY A 103 -5.950 94.495 117.853 1.00 50.45 N +ATOM 692 CA GLY A 103 -6.400 95.838 118.192 1.00 52.59 C +ATOM 693 C GLY A 103 -5.904 96.222 119.582 1.00 53.32 C +ATOM 694 O GLY A 103 -5.902 95.404 120.501 1.00 51.38 O +ATOM 695 N GLU A 104 -5.519 97.458 119.742 1.00 47.32 N +ATOM 696 CA GLU A 104 -5.332 98.015 121.067 1.00 51.51 C +ATOM 697 C GLU A 104 -6.659 97.980 121.838 1.00 51.32 C +ATOM 698 O GLU A 104 -7.726 98.290 121.314 1.00 50.33 O +ATOM 699 CB GLU A 104 -4.733 99.430 120.987 1.00 51.06 C +ATOM 700 CG GLU A 104 -3.270 99.399 120.520 1.00 45.40 C +ATOM 701 CD GLU A 104 -2.575 100.764 120.617 1.00 42.39 C +ATOM 702 OE1 GLU A 104 -1.337 100.777 120.815 1.00 39.20 O +ATOM 703 OE2 GLU A 104 -3.281 101.791 120.511 1.00 39.63 O +ATOM 704 N ARG A 105 -6.589 97.466 123.041 1.00 50.11 N +ATOM 705 CA ARG A 105 -7.718 97.136 123.943 1.00 53.54 C +ATOM 706 C ARG A 105 -8.980 98.001 123.720 1.00 52.55 C +ATOM 707 O ARG A 105 -8.867 99.208 123.782 1.00 50.70 O +ATOM 708 CB ARG A 105 -7.217 97.330 125.384 1.00 52.63 C +ATOM 709 CG ARG A 105 -6.138 96.334 125.819 1.00 46.24 C +ATOM 710 CD ARG A 105 -5.678 96.677 127.242 1.00 43.70 C +ATOM 711 NE ARG A 105 -4.701 95.695 127.741 1.00 40.60 N +ATOM 712 CZ ARG A 105 -4.018 95.774 128.864 1.00 35.93 C +ATOM 713 NH1 ARG A 105 -4.129 96.795 129.672 1.00 37.22 N +ATOM 714 NH2 ARG A 105 -3.190 94.828 129.225 1.00 35.54 N +ATOM 715 N VAL A 106 -10.218 97.479 123.490 1.00 49.31 N +ATOM 716 CA VAL A 106 -10.930 96.462 124.294 1.00 52.05 C +ATOM 717 C VAL A 106 -11.953 95.608 123.488 1.00 52.15 C +ATOM 718 O VAL A 106 -12.909 95.107 124.058 1.00 49.49 O +ATOM 719 CB VAL A 106 -11.645 97.149 125.507 1.00 49.13 C +ATOM 720 CG1 VAL A 106 -12.318 96.195 126.489 1.00 42.61 C +ATOM 721 CG2 VAL A 106 -10.688 97.985 126.356 1.00 41.94 C +ATOM 722 N VAL A 107 -11.836 95.400 122.239 1.00 50.49 N +ATOM 723 CA VAL A 107 -12.772 94.508 121.534 1.00 52.76 C +ATOM 724 C VAL A 107 -12.016 93.610 120.549 1.00 51.77 C +ATOM 725 O VAL A 107 -11.302 94.096 119.681 1.00 50.27 O +ATOM 726 CB VAL A 107 -13.912 95.267 120.817 1.00 52.03 C +ATOM 727 CG1 VAL A 107 -15.022 94.294 120.364 1.00 47.43 C +ATOM 728 CG2 VAL A 107 -14.597 96.326 121.694 1.00 47.64 C +ATOM 729 N GLN A 108 -12.154 92.273 120.701 1.00 53.40 N +ATOM 730 CA GLN A 108 -11.614 91.300 119.756 1.00 55.80 C +ATOM 731 C GLN A 108 -12.289 91.475 118.404 1.00 55.78 C +ATOM 732 O GLN A 108 -13.512 91.399 118.311 1.00 53.67 O +ATOM 733 CB GLN A 108 -11.807 89.886 120.339 1.00 54.81 C +ATOM 734 CG GLN A 108 -11.221 88.771 119.451 1.00 49.34 C +ATOM 735 CD GLN A 108 -11.326 87.378 120.081 1.00 47.22 C +ATOM 736 OE1 GLN A 108 -11.740 87.188 121.214 1.00 46.57 O +ATOM 737 NE2 GLN A 108 -10.918 86.341 119.374 1.00 43.85 N +ATOM 738 N GLY A 109 -11.506 91.727 117.377 1.00 51.55 N +ATOM 739 CA GLY A 109 -12.009 91.789 116.017 1.00 53.48 C +ATOM 740 C GLY A 109 -12.671 90.469 115.619 1.00 53.52 C +ATOM 741 O GLY A 109 -12.291 89.412 116.134 1.00 52.70 O +ATOM 742 N PRO A 110 -13.670 90.495 114.743 1.00 55.59 N +ATOM 743 CA PRO A 110 -14.316 89.285 114.268 1.00 57.97 C +ATOM 744 C PRO A 110 -13.288 88.357 113.607 1.00 56.01 C +ATOM 745 O PRO A 110 -12.295 88.836 113.056 1.00 55.48 O +ATOM 746 CB PRO A 110 -15.399 89.753 113.286 1.00 58.37 C +ATOM 747 CG PRO A 110 -14.884 91.094 112.805 1.00 56.23 C +ATOM 748 CD PRO A 110 -14.151 91.653 114.011 1.00 57.23 C +ATOM 749 N PRO A 111 -13.501 87.045 113.652 1.00 55.18 N +ATOM 750 CA PRO A 111 -12.654 86.106 112.937 1.00 57.05 C +ATOM 751 C PRO A 111 -12.531 86.509 111.467 1.00 54.08 C +ATOM 752 O PRO A 111 -13.499 86.977 110.867 1.00 54.04 O +ATOM 753 CB PRO A 111 -13.308 84.729 113.097 1.00 58.71 C +ATOM 754 CG PRO A 111 -14.150 84.868 114.343 1.00 55.47 C +ATOM 755 CD PRO A 111 -14.573 86.322 114.336 1.00 58.23 C +ATOM 756 N GLY A 112 -11.363 86.346 110.921 1.00 52.40 N +ATOM 757 CA GLY A 112 -11.166 86.507 109.489 1.00 54.32 C +ATOM 758 C GLY A 112 -12.112 85.597 108.710 1.00 54.86 C +ATOM 759 O GLY A 112 -12.415 84.485 109.150 1.00 53.31 O +ATOM 760 N LYS A 113 -12.621 86.066 107.575 1.00 57.06 N +ATOM 761 CA LYS A 113 -13.477 85.257 106.706 1.00 61.71 C +ATOM 762 C LYS A 113 -12.713 84.041 106.210 1.00 61.16 C +ATOM 763 O LYS A 113 -11.509 84.120 105.968 1.00 60.27 O +ATOM 764 CB LYS A 113 -14.000 86.086 105.525 1.00 59.77 C +ATOM 765 CG LYS A 113 -14.913 87.236 105.964 1.00 55.13 C +ATOM 766 CD LYS A 113 -15.434 88.002 104.736 1.00 53.80 C +ATOM 767 CE LYS A 113 -16.325 89.170 105.147 1.00 50.34 C +ATOM 768 NZ LYS A 113 -16.779 89.943 103.983 1.00 45.47 N +ATOM 769 N ASP A 114 -13.408 82.923 106.079 1.00 62.91 N +ATOM 770 CA ASP A 114 -12.826 81.746 105.450 1.00 65.25 C +ATOM 771 C ASP A 114 -12.329 82.081 104.041 1.00 63.92 C +ATOM 772 O ASP A 114 -12.908 82.909 103.337 1.00 60.74 O +ATOM 773 CB ASP A 114 -13.843 80.591 105.420 1.00 62.60 C +ATOM 774 CG ASP A 114 -14.206 80.048 106.803 1.00 58.91 C +ATOM 775 OD1 ASP A 114 -13.351 80.133 107.709 1.00 56.47 O +ATOM 776 OD2 ASP A 114 -15.341 79.568 106.948 1.00 55.71 O +ATOM 777 N GLY A 115 -11.232 81.503 103.699 1.00 57.05 N +ATOM 778 CA GLY A 115 -10.660 81.678 102.371 1.00 57.99 C +ATOM 779 C GLY A 115 -11.629 81.233 101.273 1.00 58.43 C +ATOM 780 O GLY A 115 -12.428 80.312 101.466 1.00 56.38 O +ATOM 781 N GLU A 116 -11.537 81.884 100.162 1.00 56.08 N +ATOM 782 CA GLU A 116 -12.345 81.505 98.998 1.00 59.24 C +ATOM 783 C GLU A 116 -12.087 80.048 98.584 1.00 57.40 C +ATOM 784 O GLU A 116 -10.993 79.509 98.734 1.00 56.40 O +ATOM 785 CB GLU A 116 -12.095 82.465 97.817 1.00 58.12 C +ATOM 786 CG GLU A 116 -12.570 83.902 98.130 1.00 53.58 C +ATOM 787 CD GLU A 116 -12.454 84.865 96.938 1.00 51.19 C +ATOM 788 OE1 GLU A 116 -13.103 85.945 97.017 1.00 49.63 O +ATOM 789 OE2 GLU A 116 -11.729 84.542 95.968 1.00 47.92 O +ATOM 790 N ALA A 117 -13.133 79.391 98.089 1.00 63.39 N +ATOM 791 CA ALA A 117 -12.992 78.035 97.572 1.00 64.71 C +ATOM 792 C ALA A 117 -11.961 78.003 96.436 1.00 62.45 C +ATOM 793 O ALA A 117 -11.926 78.888 95.584 1.00 59.68 O +ATOM 794 CB ALA A 117 -14.364 77.516 97.110 1.00 62.95 C +ATOM 795 N GLY A 118 -11.139 77.005 96.469 1.00 55.46 N +ATOM 796 CA GLY A 118 -10.138 76.817 95.427 1.00 56.20 C +ATOM 797 C GLY A 118 -10.782 76.748 94.035 1.00 55.86 C +ATOM 798 O GLY A 118 -11.876 76.206 93.871 1.00 54.11 O +ATOM 799 N ALA A 119 -10.096 77.284 93.059 1.00 56.20 N +ATOM 800 CA ALA A 119 -10.543 77.225 91.675 1.00 59.08 C +ATOM 801 C ALA A 119 -10.722 75.767 91.204 1.00 58.03 C +ATOM 802 O ALA A 119 -10.002 74.860 91.636 1.00 56.54 O +ATOM 803 CB ALA A 119 -9.551 77.995 90.790 1.00 57.61 C +ATOM 804 N GLN A 120 -11.693 75.540 90.338 1.00 56.11 N +ATOM 805 CA GLN A 120 -11.897 74.223 89.737 1.00 59.34 C +ATOM 806 C GLN A 120 -10.625 73.779 89.002 1.00 57.49 C +ATOM 807 O GLN A 120 -10.023 74.558 88.261 1.00 55.26 O +ATOM 808 CB GLN A 120 -13.113 74.265 88.796 1.00 58.58 C +ATOM 809 CG GLN A 120 -13.437 72.888 88.165 1.00 54.68 C +ATOM 810 CD GLN A 120 -14.685 72.906 87.293 1.00 53.55 C +ATOM 811 OE1 GLN A 120 -15.412 73.870 87.170 1.00 53.85 O +ATOM 812 NE2 GLN A 120 -14.999 71.793 86.647 1.00 49.58 N +ATOM 813 N GLY A 121 -10.216 72.574 89.224 1.00 53.96 N +ATOM 814 CA GLY A 121 -9.069 72.007 88.530 1.00 55.69 C +ATOM 815 C GLY A 121 -9.245 72.031 87.007 1.00 55.70 C +ATOM 816 O GLY A 121 -10.373 71.978 86.513 1.00 54.37 O +ATOM 817 N PRO A 122 -8.150 72.118 86.272 1.00 56.39 N +ATOM 818 CA PRO A 122 -8.209 72.091 84.819 1.00 58.81 C +ATOM 819 C PRO A 122 -8.846 70.788 84.319 1.00 56.67 C +ATOM 820 O PRO A 122 -8.756 69.744 84.969 1.00 55.78 O +ATOM 821 CB PRO A 122 -6.758 72.259 84.335 1.00 58.97 C +ATOM 822 CG PRO A 122 -5.942 71.696 85.488 1.00 57.48 C +ATOM 823 CD PRO A 122 -6.765 72.092 86.720 1.00 59.91 C +ATOM 824 N ALA A 123 -9.473 70.836 83.141 1.00 59.39 N +ATOM 825 CA ALA A 123 -9.981 69.634 82.493 1.00 60.92 C +ATOM 826 C ALA A 123 -8.835 68.649 82.223 1.00 59.08 C +ATOM 827 O ALA A 123 -7.742 69.048 81.833 1.00 56.78 O +ATOM 828 CB ALA A 123 -10.710 70.014 81.201 1.00 59.96 C +ATOM 829 N GLY A 124 -9.086 67.382 82.435 1.00 56.18 N +ATOM 830 CA GLY A 124 -8.127 66.335 82.130 1.00 57.69 C +ATOM 831 C GLY A 124 -7.716 66.341 80.647 1.00 57.44 C +ATOM 832 O GLY A 124 -8.496 66.781 79.803 1.00 55.92 O +ATOM 833 N PRO A 125 -6.532 65.879 80.368 1.00 55.23 N +ATOM 834 CA PRO A 125 -6.063 65.806 78.993 1.00 58.44 C +ATOM 835 C PRO A 125 -6.996 64.929 78.147 1.00 56.37 C +ATOM 836 O PRO A 125 -7.630 63.990 78.641 1.00 55.84 O +ATOM 837 CB PRO A 125 -4.630 65.245 79.064 1.00 58.72 C +ATOM 838 CG PRO A 125 -4.641 64.437 80.353 1.00 57.04 C +ATOM 839 CD PRO A 125 -5.574 65.241 81.261 1.00 59.83 C +ATOM 840 N MET A 126 -7.084 65.230 76.856 1.00 59.48 N +ATOM 841 CA MET A 126 -7.803 64.376 75.910 1.00 61.20 C +ATOM 842 C MET A 126 -7.166 62.991 75.865 1.00 60.55 C +ATOM 843 O MET A 126 -5.942 62.871 75.864 1.00 57.44 O +ATOM 844 CB MET A 126 -7.809 65.046 74.527 1.00 59.26 C +ATOM 845 CG MET A 126 -8.712 64.316 73.527 1.00 54.04 C +ATOM 846 SD MET A 126 -8.918 65.207 71.949 1.00 51.99 S +ATOM 847 CE MET A 126 -7.274 64.981 71.228 1.00 49.69 C +ATOM 848 N GLY A 127 -7.983 61.956 75.836 1.00 57.08 N +ATOM 849 CA GLY A 127 -7.503 60.587 75.703 1.00 58.35 C +ATOM 850 C GLY A 127 -6.697 60.380 74.421 1.00 58.23 C +ATOM 851 O GLY A 127 -6.900 61.102 73.443 1.00 56.79 O +ATOM 852 N PRO A 128 -5.791 59.415 74.415 1.00 56.49 N +ATOM 853 CA PRO A 128 -5.010 59.109 73.231 1.00 59.93 C +ATOM 854 C PRO A 128 -5.927 58.721 72.060 1.00 58.49 C +ATOM 855 O PRO A 128 -7.023 58.190 72.252 1.00 57.47 O +ATOM 856 CB PRO A 128 -4.058 57.967 73.636 1.00 59.53 C +ATOM 857 CG PRO A 128 -4.801 57.286 74.775 1.00 57.62 C +ATOM 858 CD PRO A 128 -5.517 58.446 75.474 1.00 59.90 C +ATOM 859 N ALA A 129 -5.465 58.990 70.844 1.00 60.87 N +ATOM 860 CA ALA A 129 -6.168 58.520 69.654 1.00 63.01 C +ATOM 861 C ALA A 129 -6.232 56.992 69.649 1.00 62.99 C +ATOM 862 O ALA A 129 -5.274 56.330 70.035 1.00 60.54 O +ATOM 863 CB ALA A 129 -5.477 59.067 68.399 1.00 60.77 C +ATOM 864 N GLY A 130 -7.351 56.454 69.206 1.00 59.69 N +ATOM 865 CA GLY A 130 -7.498 55.017 69.053 1.00 61.52 C +ATOM 866 C GLY A 130 -6.459 54.429 68.095 1.00 62.66 C +ATOM 867 O GLY A 130 -6.005 55.099 67.154 1.00 61.10 O +ATOM 868 N GLU A 131 -6.079 53.213 68.354 1.00 55.33 N +ATOM 869 CA GLU A 131 -5.127 52.504 67.507 1.00 60.80 C +ATOM 870 C GLU A 131 -5.661 52.363 66.081 1.00 59.53 C +ATOM 871 O GLU A 131 -6.867 52.275 65.824 1.00 58.19 O +ATOM 872 CB GLU A 131 -4.765 51.131 68.102 1.00 59.15 C +ATOM 873 CG GLU A 131 -4.031 51.271 69.447 1.00 54.24 C +ATOM 874 CD GLU A 131 -3.506 49.936 70.000 1.00 50.53 C +ATOM 875 OE1 GLU A 131 -2.613 50.009 70.890 1.00 48.31 O +ATOM 876 OE2 GLU A 131 -3.979 48.877 69.536 1.00 47.19 O +ATOM 877 N ARG A 132 -4.738 52.388 65.113 1.00 61.69 N +ATOM 878 CA ARG A 132 -5.100 52.185 63.714 1.00 65.46 C +ATOM 879 C ARG A 132 -5.588 50.755 63.524 1.00 64.58 C +ATOM 880 O ARG A 132 -4.914 49.826 63.960 1.00 61.57 O +ATOM 881 CB ARG A 132 -3.894 52.499 62.824 1.00 62.58 C +ATOM 882 CG ARG A 132 -4.232 52.362 61.337 1.00 56.44 C +ATOM 883 CD ARG A 132 -3.010 52.710 60.493 1.00 56.09 C +ATOM 884 NE ARG A 132 -3.293 52.591 59.058 1.00 53.90 N +ATOM 885 CZ ARG A 132 -2.454 52.809 58.070 1.00 48.57 C +ATOM 886 NH1 ARG A 132 -1.211 53.149 58.289 1.00 49.07 N +ATOM 887 NH2 ARG A 132 -2.841 52.678 56.834 1.00 48.05 N +ATOM 888 N GLY A 133 -6.697 50.582 62.836 1.00 63.99 N +ATOM 889 CA GLY A 133 -7.196 49.255 62.504 1.00 65.19 C +ATOM 890 C GLY A 133 -6.163 48.418 61.746 1.00 66.61 C +ATOM 891 O GLY A 133 -5.353 48.949 60.976 1.00 64.73 O +ATOM 892 N GLU A 134 -6.186 47.122 62.001 1.00 54.90 N +ATOM 893 CA GLU A 134 -5.291 46.180 61.338 1.00 61.21 C +ATOM 894 C GLU A 134 -5.477 46.198 59.821 1.00 59.76 C +ATOM 895 O GLU A 134 -6.552 46.490 59.284 1.00 58.52 O +ATOM 896 CB GLU A 134 -5.467 44.760 61.899 1.00 59.63 C +ATOM 897 CG GLU A 134 -5.066 44.672 63.382 1.00 55.07 C +ATOM 898 CD GLU A 134 -5.062 43.226 63.917 1.00 51.63 C +ATOM 899 OE1 GLU A 134 -4.412 43.021 64.975 1.00 49.52 O +ATOM 900 OE2 GLU A 134 -5.681 42.355 63.270 1.00 49.04 O +ATOM 901 N LYS A 135 -4.380 45.941 59.091 1.00 67.24 N +ATOM 902 CA LYS A 135 -4.438 45.836 57.635 1.00 71.38 C +ATOM 903 C LYS A 135 -5.221 44.586 57.266 1.00 70.36 C +ATOM 904 O LYS A 135 -4.938 43.514 57.784 1.00 68.17 O +ATOM 905 CB LYS A 135 -3.004 45.808 57.080 1.00 67.22 C +ATOM 906 CG LYS A 135 -2.973 45.784 55.554 1.00 61.92 C +ATOM 907 CD LYS A 135 -1.523 45.743 55.063 1.00 60.42 C +ATOM 908 CE LYS A 135 -1.472 45.640 53.539 1.00 57.11 C +ATOM 909 NZ LYS A 135 -0.087 45.459 53.073 1.00 51.48 N +ATOM 910 N GLY A 136 -6.158 44.711 56.335 1.00 64.18 N +ATOM 911 CA GLY A 136 -6.886 43.555 55.823 1.00 65.00 C +ATOM 912 C GLY A 136 -5.951 42.491 55.246 1.00 66.36 C +ATOM 913 O GLY A 136 -4.903 42.809 54.686 1.00 63.87 O +ATOM 914 N GLU A 137 -6.335 41.240 55.423 1.00 55.91 N +ATOM 915 CA GLU A 137 -5.576 40.103 54.894 1.00 62.07 C +ATOM 916 C GLU A 137 -5.459 40.174 53.367 1.00 59.55 C +ATOM 917 O GLU A 137 -6.356 40.686 52.678 1.00 58.41 O +ATOM 918 CB GLU A 137 -6.208 38.769 55.323 1.00 60.66 C +ATOM 919 CG GLU A 137 -6.134 38.547 56.847 1.00 56.90 C +ATOM 920 CD GLU A 137 -6.581 37.128 57.259 1.00 53.46 C +ATOM 921 OE1 GLU A 137 -6.150 36.681 58.349 1.00 51.31 O +ATOM 922 OE2 GLU A 137 -7.330 36.491 56.476 1.00 51.14 O +ATOM 923 N PRO A 138 -4.342 39.692 52.803 1.00 65.46 N +ATOM 924 CA PRO A 138 -4.221 39.564 51.359 1.00 67.98 C +ATOM 925 C PRO A 138 -5.352 38.710 50.783 1.00 66.37 C +ATOM 926 O PRO A 138 -5.719 37.681 51.355 1.00 63.75 O +ATOM 927 CB PRO A 138 -2.853 38.913 51.107 1.00 67.36 C +ATOM 928 CG PRO A 138 -2.059 39.235 52.371 1.00 64.07 C +ATOM 929 CD PRO A 138 -3.122 39.239 53.458 1.00 68.15 C +ATOM 930 N GLY A 139 -5.869 39.101 49.630 1.00 61.79 N +ATOM 931 CA GLY A 139 -6.844 38.285 48.913 1.00 63.14 C +ATOM 932 C GLY A 139 -6.272 36.913 48.552 1.00 63.46 C +ATOM 933 O GLY A 139 -5.082 36.767 48.270 1.00 61.61 O +ATOM 934 N THR A 140 -7.118 35.906 48.565 1.00 57.32 N +ATOM 935 CA THR A 140 -6.727 34.545 48.186 1.00 61.02 C +ATOM 936 C THR A 140 -6.301 34.483 46.721 1.00 58.31 C +ATOM 937 O THR A 140 -6.793 35.220 45.862 1.00 56.40 O +ATOM 938 CB THR A 140 -7.849 33.530 48.468 1.00 60.24 C +ATOM 939 OG1 THR A 140 -9.044 33.920 47.845 1.00 57.56 O +ATOM 940 CG2 THR A 140 -8.140 33.414 49.961 1.00 58.31 C +ATOM 941 N GLN A 141 -5.341 33.604 46.433 1.00 63.22 N +ATOM 942 CA GLN A 141 -4.924 33.384 45.050 1.00 66.85 C +ATOM 943 C GLN A 141 -6.093 32.844 44.229 1.00 64.92 C +ATOM 944 O GLN A 141 -6.804 31.944 44.673 1.00 61.26 O +ATOM 945 CB GLN A 141 -3.704 32.435 45.034 1.00 64.40 C +ATOM 946 CG GLN A 141 -3.135 32.253 43.618 1.00 60.81 C +ATOM 947 CD GLN A 141 -1.868 31.403 43.586 1.00 58.25 C +ATOM 948 OE1 GLN A 141 -1.345 30.928 44.571 1.00 56.81 O +ATOM 949 NE2 GLN A 141 -1.304 31.174 42.411 1.00 52.79 N +ATOM 950 N GLY A 142 -6.271 33.361 43.009 1.00 59.69 N +ATOM 951 CA GLY A 142 -7.281 32.870 42.086 1.00 61.18 C +ATOM 952 C GLY A 142 -7.108 31.379 41.776 1.00 61.35 C +ATOM 953 O GLY A 142 -5.991 30.865 41.737 1.00 59.30 O +ATOM 954 N ALA A 143 -8.213 30.695 41.572 1.00 59.89 N +ATOM 955 CA ALA A 143 -8.203 29.283 41.210 1.00 64.01 C +ATOM 956 C ALA A 143 -7.414 29.060 39.909 1.00 63.06 C +ATOM 957 O ALA A 143 -7.394 29.904 39.004 1.00 61.17 O +ATOM 958 CB ALA A 143 -9.643 28.767 41.110 1.00 61.59 C +ATOM 959 N LYS A 144 -6.730 27.901 39.824 1.00 66.31 N +ATOM 960 CA LYS A 144 -6.043 27.508 38.591 1.00 71.32 C +ATOM 961 C LYS A 144 -7.069 27.376 37.469 1.00 70.00 C +ATOM 962 O LYS A 144 -8.102 26.742 37.667 1.00 67.32 O +ATOM 963 CB LYS A 144 -5.268 26.205 38.837 1.00 67.36 C +ATOM 964 CG LYS A 144 -4.444 25.778 37.620 1.00 61.76 C +ATOM 965 CD LYS A 144 -3.633 24.521 37.934 1.00 61.29 C +ATOM 966 CE LYS A 144 -2.822 24.101 36.704 1.00 57.90 C +ATOM 967 NZ LYS A 144 -2.004 22.901 36.979 1.00 52.03 N +ATOM 968 N GLY A 145 -6.753 27.920 36.299 1.00 60.16 N +ATOM 969 CA GLY A 145 -7.613 27.781 35.126 1.00 62.05 C +ATOM 970 C GLY A 145 -7.804 26.322 34.718 1.00 63.42 C +ATOM 971 O GLY A 145 -6.917 25.490 34.908 1.00 60.85 O +ATOM 972 N ASP A 146 -8.966 26.038 34.155 1.00 58.26 N +ATOM 973 CA ASP A 146 -9.294 24.703 33.674 1.00 63.61 C +ATOM 974 C ASP A 146 -8.334 24.248 32.572 1.00 62.74 C +ATOM 975 O ASP A 146 -7.756 25.045 31.818 1.00 60.83 O +ATOM 976 CB ASP A 146 -10.756 24.647 33.180 1.00 61.05 C +ATOM 977 CG ASP A 146 -11.766 24.861 34.305 1.00 57.87 C +ATOM 978 OD1 ASP A 146 -11.525 24.319 35.408 1.00 55.50 O +ATOM 979 OD2 ASP A 146 -12.769 25.551 34.043 1.00 52.87 O +ATOM 980 N ARG A 147 -8.120 22.922 32.480 1.00 65.20 N +ATOM 981 CA ARG A 147 -7.314 22.339 31.405 1.00 70.00 C +ATOM 982 C ARG A 147 -7.989 22.619 30.068 1.00 67.60 C +ATOM 983 O ARG A 147 -9.179 22.359 29.927 1.00 63.70 O +ATOM 984 CB ARG A 147 -7.132 20.836 31.662 1.00 66.64 C +ATOM 985 CG ARG A 147 -6.232 20.173 30.608 1.00 62.25 C +ATOM 986 CD ARG A 147 -6.048 18.700 30.932 1.00 62.40 C +ATOM 987 NE ARG A 147 -5.194 18.037 29.938 1.00 59.69 N +ATOM 988 CZ ARG A 147 -4.814 16.767 29.948 1.00 54.37 C +ATOM 989 NH1 ARG A 147 -5.183 15.953 30.894 1.00 54.27 N +ATOM 990 NH2 ARG A 147 -4.049 16.303 28.997 1.00 52.62 N +ATOM 991 N GLY A 148 -7.221 23.091 29.101 1.00 61.65 N +ATOM 992 CA GLY A 148 -7.727 23.291 27.748 1.00 62.47 C +ATOM 993 C GLY A 148 -8.282 21.995 27.148 1.00 62.94 C +ATOM 994 O GLY A 148 -7.784 20.904 27.425 1.00 60.36 O +ATOM 995 N GLU A 149 -9.312 22.130 26.321 1.00 54.69 N +ATOM 996 CA GLU A 149 -9.923 21.007 25.617 1.00 59.21 C +ATOM 997 C GLU A 149 -8.907 20.310 24.703 1.00 56.99 C +ATOM 998 O GLU A 149 -7.986 20.917 24.146 1.00 55.86 O +ATOM 999 CB GLU A 149 -11.151 21.461 24.814 1.00 58.47 C +ATOM 1000 CG GLU A 149 -12.282 21.992 25.721 1.00 55.06 C +ATOM 1001 CD GLU A 149 -13.572 22.317 24.944 1.00 52.63 C +ATOM 1002 OE1 GLU A 149 -14.623 22.441 25.622 1.00 51.23 O +ATOM 1003 OE2 GLU A 149 -13.500 22.443 23.706 1.00 50.56 O +ATOM 1004 N THR A 150 -9.069 18.997 24.577 1.00 69.29 N +ATOM 1005 CA THR A 150 -8.251 18.215 23.647 1.00 70.03 C +ATOM 1006 C THR A 150 -8.533 18.686 22.222 1.00 67.23 C +ATOM 1007 O THR A 150 -9.688 18.804 21.838 1.00 63.20 O +ATOM 1008 CB THR A 150 -8.535 16.716 23.786 1.00 67.73 C +ATOM 1009 OG1 THR A 150 -8.335 16.319 25.124 1.00 64.00 O +ATOM 1010 CG2 THR A 150 -7.616 15.846 22.933 1.00 64.30 C +ATOM 1011 N GLY A 151 -7.477 18.941 21.450 1.00 60.57 N +ATOM 1012 CA GLY A 151 -7.622 19.327 20.055 1.00 61.61 C +ATOM 1013 C GLY A 151 -8.400 18.283 19.247 1.00 62.53 C +ATOM 1014 O GLY A 151 -8.384 17.094 19.585 1.00 60.97 O +ATOM 1015 N PRO A 152 -9.079 18.706 18.180 1.00 59.66 N +ATOM 1016 CA PRO A 152 -9.833 17.794 17.339 1.00 63.20 C +ATOM 1017 C PRO A 152 -8.923 16.711 16.748 1.00 61.11 C +ATOM 1018 O PRO A 152 -7.736 16.940 16.493 1.00 60.01 O +ATOM 1019 CB PRO A 152 -10.486 18.661 16.253 1.00 62.77 C +ATOM 1020 CG PRO A 152 -9.549 19.867 16.171 1.00 60.74 C +ATOM 1021 CD PRO A 152 -9.079 20.037 17.615 1.00 62.72 C +ATOM 1022 N VAL A 153 -9.487 15.523 16.524 1.00 67.43 N +ATOM 1023 CA VAL A 153 -8.774 14.445 15.834 1.00 70.12 C +ATOM 1024 C VAL A 153 -8.406 14.919 14.423 1.00 69.71 C +ATOM 1025 O VAL A 153 -9.252 15.471 13.723 1.00 66.62 O +ATOM 1026 CB VAL A 153 -9.624 13.159 15.796 1.00 66.93 C +ATOM 1027 CG1 VAL A 153 -8.936 12.009 15.055 1.00 61.44 C +ATOM 1028 CG2 VAL A 153 -9.927 12.669 17.215 1.00 63.66 C +ATOM 1029 N GLY A 154 -7.155 14.692 14.020 1.00 58.98 N +ATOM 1030 CA GLY A 154 -6.695 15.027 12.681 1.00 61.14 C +ATOM 1031 C GLY A 154 -7.553 14.356 11.593 1.00 62.81 C +ATOM 1032 O GLY A 154 -8.123 13.285 11.825 1.00 61.57 O +ATOM 1033 N PRO A 155 -7.653 14.978 10.414 1.00 59.39 N +ATOM 1034 CA PRO A 155 -8.420 14.407 9.319 1.00 63.29 C +ATOM 1035 C PRO A 155 -7.911 13.001 8.984 1.00 62.09 C +ATOM 1036 O PRO A 155 -6.721 12.696 9.103 1.00 60.44 O +ATOM 1037 CB PRO A 155 -8.279 15.388 8.153 1.00 62.22 C +ATOM 1038 CG PRO A 155 -6.957 16.093 8.446 1.00 59.75 C +ATOM 1039 CD PRO A 155 -6.924 16.150 9.974 1.00 60.94 C +ATOM 1040 N ARG A 156 -8.828 12.131 8.565 1.00 63.15 N +ATOM 1041 CA ARG A 156 -8.449 10.795 8.095 1.00 67.67 C +ATOM 1042 C ARG A 156 -7.529 10.934 6.894 1.00 65.35 C +ATOM 1043 O ARG A 156 -7.870 11.658 5.963 1.00 62.12 O +ATOM 1044 CB ARG A 156 -9.717 10.003 7.759 1.00 65.09 C +ATOM 1045 CG ARG A 156 -9.406 8.569 7.307 1.00 60.68 C +ATOM 1046 CD ARG A 156 -10.702 7.819 7.021 1.00 60.59 C +ATOM 1047 NE ARG A 156 -10.439 6.444 6.577 1.00 58.89 N +ATOM 1048 CZ ARG A 156 -11.341 5.530 6.271 1.00 52.96 C +ATOM 1049 NH1 ARG A 156 -12.620 5.789 6.328 1.00 53.03 N +ATOM 1050 NH2 ARG A 156 -10.967 4.345 5.904 1.00 51.43 N +ATOM 1051 N GLY A 157 -6.407 10.195 6.896 1.00 59.67 N +ATOM 1052 CA GLY A 157 -5.494 10.155 5.759 1.00 60.55 C +ATOM 1053 C GLY A 157 -6.222 9.789 4.461 1.00 62.42 C +ATOM 1054 O GLY A 157 -7.181 9.009 4.469 1.00 60.34 O +ATOM 1055 N GLU A 158 -5.782 10.391 3.362 1.00 55.24 N +ATOM 1056 CA GLU A 158 -6.343 10.119 2.050 1.00 60.02 C +ATOM 1057 C GLU A 158 -6.219 8.631 1.699 1.00 58.10 C +ATOM 1058 O GLU A 158 -5.307 7.919 2.132 1.00 56.74 O +ATOM 1059 CB GLU A 158 -5.706 11.006 0.969 1.00 59.07 C +ATOM 1060 CG GLU A 158 -6.030 12.496 1.210 1.00 55.75 C +ATOM 1061 CD GLU A 158 -5.583 13.405 0.050 1.00 53.67 C +ATOM 1062 OE1 GLU A 158 -6.079 14.557 0.026 1.00 51.60 O +ATOM 1063 OE2 GLU A 158 -4.789 12.947 -0.785 1.00 51.14 O +ATOM 1064 N ARG A 159 -7.196 8.134 0.948 1.00 63.68 N +ATOM 1065 CA ARG A 159 -7.148 6.757 0.468 1.00 67.06 C +ATOM 1066 C ARG A 159 -5.948 6.618 -0.459 1.00 63.99 C +ATOM 1067 O ARG A 159 -5.872 7.366 -1.428 1.00 60.99 O +ATOM 1068 CB ARG A 159 -8.470 6.408 -0.223 1.00 65.28 C +ATOM 1069 CG ARG A 159 -8.494 4.965 -0.732 1.00 61.24 C +ATOM 1070 CD ARG A 159 -9.834 4.673 -1.396 1.00 62.12 C +ATOM 1071 NE ARG A 159 -9.894 3.300 -1.931 1.00 60.08 N +ATOM 1072 CZ ARG A 159 -10.905 2.769 -2.593 1.00 55.18 C +ATOM 1073 NH1 ARG A 159 -12.000 3.430 -2.831 1.00 55.18 N +ATOM 1074 NH2 ARG A 159 -10.817 1.558 -3.042 1.00 53.32 N +ATOM 1075 N GLY A 160 -5.080 5.645 -0.197 1.00 57.45 N +ATOM 1076 CA GLY A 160 -3.966 5.353 -1.095 1.00 57.75 C +ATOM 1077 C GLY A 160 -4.442 5.139 -2.530 1.00 58.30 C +ATOM 1078 O GLY A 160 -5.515 4.569 -2.757 1.00 55.93 O +ATOM 1079 N GLU A 161 -3.650 5.622 -3.488 1.00 53.59 N +ATOM 1080 CA GLU A 161 -3.934 5.446 -4.905 1.00 57.70 C +ATOM 1081 C GLU A 161 -4.098 3.960 -5.244 1.00 54.93 C +ATOM 1082 O GLU A 161 -3.455 3.071 -4.660 1.00 54.32 O +ATOM 1083 CB GLU A 161 -2.849 6.090 -5.773 1.00 57.63 C +ATOM 1084 CG GLU A 161 -2.822 7.624 -5.639 1.00 54.12 C +ATOM 1085 CD GLU A 161 -1.852 8.297 -6.627 1.00 52.28 C +ATOM 1086 OE1 GLU A 161 -2.006 9.521 -6.837 1.00 50.97 O +ATOM 1087 OE2 GLU A 161 -0.979 7.585 -7.174 1.00 50.66 O +ATOM 1088 N ALA A 162 -5.001 3.676 -6.178 1.00 61.99 N +ATOM 1089 CA ALA A 162 -5.148 2.320 -6.682 1.00 63.14 C +ATOM 1090 C ALA A 162 -3.826 1.870 -7.310 1.00 61.05 C +ATOM 1091 O ALA A 162 -3.210 2.617 -8.067 1.00 58.40 O +ATOM 1092 CB ALA A 162 -6.320 2.259 -7.675 1.00 61.81 C +ATOM 1093 N GLY A 163 -3.393 0.656 -6.980 1.00 53.59 N +ATOM 1094 CA GLY A 163 -2.209 0.089 -7.614 1.00 54.56 C +ATOM 1095 C GLY A 163 -2.357 0.079 -9.137 1.00 54.32 C +ATOM 1096 O GLY A 163 -3.481 -0.050 -9.644 1.00 52.51 O +ATOM 1097 N PRO A 164 -1.250 0.206 -9.882 1.00 52.95 N +ATOM 1098 CA PRO A 164 -1.295 0.170 -11.330 1.00 56.62 C +ATOM 1099 C PRO A 164 -1.954 -1.136 -11.809 1.00 54.35 C +ATOM 1100 O PRO A 164 -1.803 -2.188 -11.176 1.00 53.66 O +ATOM 1101 CB PRO A 164 0.160 0.290 -11.801 1.00 57.09 C +ATOM 1102 CG PRO A 164 0.965 -0.210 -10.605 1.00 55.52 C +ATOM 1103 CD PRO A 164 0.124 0.227 -9.406 1.00 57.00 C +ATOM 1104 N ALA A 165 -2.690 -1.051 -12.925 1.00 54.28 N +ATOM 1105 CA ALA A 165 -3.261 -2.233 -13.544 1.00 57.00 C +ATOM 1106 C ALA A 165 -2.163 -3.270 -13.821 1.00 54.18 C +ATOM 1107 O ALA A 165 -1.051 -2.907 -14.222 1.00 52.96 O +ATOM 1108 CB ALA A 165 -4.017 -1.834 -14.817 1.00 56.87 C +ATOM 1109 N GLY A 166 -2.468 -4.532 -13.563 1.00 51.16 N +ATOM 1110 CA GLY A 166 -1.560 -5.619 -13.910 1.00 52.98 C +ATOM 1111 C GLY A 166 -1.208 -5.551 -15.398 1.00 53.53 C +ATOM 1112 O GLY A 166 -2.055 -5.220 -16.214 1.00 51.70 O +ATOM 1113 N LYS A 167 0.054 -5.839 -15.731 1.00 50.56 N +ATOM 1114 CA LYS A 167 0.463 -5.924 -17.134 1.00 56.31 C +ATOM 1115 C LYS A 167 -0.358 -7.003 -17.833 1.00 55.25 C +ATOM 1116 O LYS A 167 -0.633 -8.043 -17.233 1.00 54.40 O +ATOM 1117 CB LYS A 167 1.966 -6.217 -17.257 1.00 54.91 C +ATOM 1118 CG LYS A 167 2.835 -5.078 -16.727 1.00 51.25 C +ATOM 1119 CD LYS A 167 4.320 -5.398 -16.929 1.00 49.21 C +ATOM 1120 CE LYS A 167 5.199 -4.274 -16.380 1.00 45.90 C +ATOM 1121 NZ LYS A 167 6.633 -4.588 -16.557 1.00 41.24 N +ATOM 1122 N ASP A 168 -0.713 -6.747 -19.093 1.00 53.02 N +ATOM 1123 CA ASP A 168 -1.349 -7.760 -19.921 1.00 57.17 C +ATOM 1124 C ASP A 168 -0.519 -9.044 -19.909 1.00 55.43 C +ATOM 1125 O ASP A 168 0.716 -9.003 -19.942 1.00 53.75 O +ATOM 1126 CB ASP A 168 -1.546 -7.255 -21.360 1.00 55.84 C +ATOM 1127 CG ASP A 168 -2.553 -6.112 -21.476 1.00 53.55 C +ATOM 1128 OD1 ASP A 168 -3.450 -6.020 -20.611 1.00 51.42 O +ATOM 1129 OD2 ASP A 168 -2.434 -5.334 -22.451 1.00 50.09 O +ATOM 1130 N GLY A 169 -1.209 -10.179 -19.813 1.00 52.19 N +ATOM 1131 CA GLY A 169 -0.549 -11.477 -19.887 1.00 53.88 C +ATOM 1132 C GLY A 169 0.264 -11.597 -21.175 1.00 54.73 C +ATOM 1133 O GLY A 169 -0.153 -11.129 -22.236 1.00 52.38 O +ATOM 1134 N GLU A 170 1.426 -12.220 -21.084 1.00 47.80 N +ATOM 1135 CA GLU A 170 2.241 -12.479 -22.267 1.00 52.92 C +ATOM 1136 C GLU A 170 1.432 -13.272 -23.293 1.00 51.81 C +ATOM 1137 O GLU A 170 0.639 -14.161 -22.961 1.00 51.22 O +ATOM 1138 CB GLU A 170 3.549 -13.199 -21.909 1.00 52.75 C +ATOM 1139 CG GLU A 170 4.489 -12.303 -21.077 1.00 48.97 C +ATOM 1140 CD GLU A 170 5.883 -12.918 -20.844 1.00 45.80 C +ATOM 1141 OE1 GLU A 170 6.781 -12.143 -20.443 1.00 43.87 O +ATOM 1142 OE2 GLU A 170 6.048 -14.137 -21.073 1.00 43.65 O +ATOM 1143 N ARG A 171 1.628 -12.928 -24.566 1.00 52.57 N +ATOM 1144 CA ARG A 171 1.001 -13.654 -25.663 1.00 56.06 C +ATOM 1145 C ARG A 171 1.401 -15.126 -25.568 1.00 53.28 C +ATOM 1146 O ARG A 171 2.589 -15.429 -25.520 1.00 52.08 O +ATOM 1147 CB ARG A 171 1.412 -13.028 -27.001 1.00 56.34 C +ATOM 1148 CG ARG A 171 0.726 -13.698 -28.197 1.00 53.58 C +ATOM 1149 CD ARG A 171 1.148 -12.998 -29.494 1.00 53.86 C +ATOM 1150 NE ARG A 171 0.517 -13.610 -30.665 1.00 52.50 N +ATOM 1151 CZ ARG A 171 0.688 -13.236 -31.930 1.00 47.76 C +ATOM 1152 NH1 ARG A 171 1.473 -12.250 -32.247 1.00 48.54 N +ATOM 1153 NH2 ARG A 171 0.066 -13.862 -32.888 1.00 47.31 N +ATOM 1154 N GLY A 172 0.408 -16.008 -25.573 1.00 52.50 N +ATOM 1155 CA GLY A 172 0.669 -17.455 -25.560 1.00 53.91 C +ATOM 1156 C GLY A 172 1.656 -17.859 -26.664 1.00 54.13 C +ATOM 1157 O GLY A 172 1.712 -17.202 -27.712 1.00 52.33 O +ATOM 1158 N PRO A 173 2.429 -18.933 -26.450 1.00 52.16 N +ATOM 1159 CA PRO A 173 3.388 -19.400 -27.437 1.00 55.54 C +ATOM 1160 C PRO A 173 2.686 -19.687 -28.769 1.00 53.04 C +ATOM 1161 O PRO A 173 1.544 -20.156 -28.796 1.00 52.63 O +ATOM 1162 CB PRO A 173 4.052 -20.644 -26.834 1.00 56.17 C +ATOM 1163 CG PRO A 173 3.011 -21.150 -25.837 1.00 54.68 C +ATOM 1164 CD PRO A 173 2.361 -19.857 -25.332 1.00 55.70 C +ATOM 1165 N VAL A 174 3.377 -19.392 -29.873 1.00 56.21 N +ATOM 1166 CA VAL A 174 2.885 -19.739 -31.208 1.00 59.44 C +ATOM 1167 C VAL A 174 2.668 -21.253 -31.270 1.00 57.43 C +ATOM 1168 O VAL A 174 3.548 -22.007 -30.844 1.00 55.43 O +ATOM 1169 CB VAL A 174 3.867 -19.263 -32.310 1.00 58.57 C +ATOM 1170 CG1 VAL A 174 3.387 -19.604 -33.721 1.00 55.04 C +ATOM 1171 CG2 VAL A 174 4.052 -17.737 -32.257 1.00 56.13 C +ATOM 1172 N GLY A 175 1.497 -21.673 -31.764 1.00 51.48 N +ATOM 1173 CA GLY A 175 1.200 -23.092 -31.927 1.00 52.40 C +ATOM 1174 C GLY A 175 2.277 -23.792 -32.772 1.00 52.33 C +ATOM 1175 O GLY A 175 2.905 -23.150 -33.618 1.00 51.01 O +ATOM 1176 N PRO A 176 2.493 -25.096 -32.559 1.00 52.58 N +ATOM 1177 CA PRO A 176 3.478 -25.841 -33.328 1.00 56.34 C +ATOM 1178 C PRO A 176 3.169 -25.745 -34.829 1.00 54.17 C +ATOM 1179 O PRO A 176 2.004 -25.699 -35.225 1.00 53.64 O +ATOM 1180 CB PRO A 176 3.414 -27.280 -32.808 1.00 57.14 C +ATOM 1181 CG PRO A 176 1.999 -27.387 -32.243 1.00 55.54 C +ATOM 1182 CD PRO A 176 1.731 -25.979 -31.703 1.00 55.98 C +ATOM 1183 N ALA A 177 4.223 -25.719 -35.650 1.00 56.45 N +ATOM 1184 CA ALA A 177 4.073 -25.741 -37.101 1.00 59.50 C +ATOM 1185 C ALA A 177 3.228 -26.957 -37.539 1.00 57.49 C +ATOM 1186 O ALA A 177 3.317 -28.035 -36.943 1.00 55.60 O +ATOM 1187 CB ALA A 177 5.456 -25.745 -37.763 1.00 58.82 C +ATOM 1188 N GLY A 178 2.393 -26.752 -38.566 1.00 53.37 N +ATOM 1189 CA GLY A 178 1.653 -27.852 -39.180 1.00 54.26 C +ATOM 1190 C GLY A 178 2.611 -28.954 -39.652 1.00 54.90 C +ATOM 1191 O GLY A 178 3.743 -28.664 -40.041 1.00 53.36 O +ATOM 1192 N LYS A 179 2.172 -30.195 -39.572 1.00 52.07 N +ATOM 1193 CA LYS A 179 2.970 -31.309 -40.108 1.00 57.82 C +ATOM 1194 C LYS A 179 3.075 -31.171 -41.619 1.00 56.78 C +ATOM 1195 O LYS A 179 2.105 -30.788 -42.264 1.00 56.34 O +ATOM 1196 CB LYS A 179 2.353 -32.660 -39.727 1.00 57.17 C +ATOM 1197 CG LYS A 179 2.380 -32.918 -38.216 1.00 54.36 C +ATOM 1198 CD LYS A 179 1.798 -34.299 -37.907 1.00 52.82 C +ATOM 1199 CE LYS A 179 1.811 -34.555 -36.400 1.00 50.28 C +ATOM 1200 NZ LYS A 179 1.236 -35.881 -36.069 1.00 44.63 N +ATOM 1201 N ASP A 180 4.237 -31.547 -42.161 1.00 56.01 N +ATOM 1202 CA ASP A 180 4.443 -31.611 -43.604 1.00 60.09 C +ATOM 1203 C ASP A 180 3.349 -32.474 -44.258 1.00 58.42 C +ATOM 1204 O ASP A 180 2.872 -33.455 -43.677 1.00 56.31 O +ATOM 1205 CB ASP A 180 5.848 -32.161 -43.925 1.00 58.85 C +ATOM 1206 CG ASP A 180 7.001 -31.307 -43.381 1.00 55.95 C +ATOM 1207 OD1 ASP A 180 6.777 -30.103 -43.099 1.00 54.01 O +ATOM 1208 OD2 ASP A 180 8.103 -31.866 -43.202 1.00 52.58 O +ATOM 1209 N GLY A 181 2.943 -32.084 -45.477 1.00 57.09 N +ATOM 1210 CA GLY A 181 2.000 -32.864 -46.276 1.00 57.64 C +ATOM 1211 C GLY A 181 2.525 -34.286 -46.511 1.00 58.51 C +ATOM 1212 O GLY A 181 3.726 -34.503 -46.656 1.00 56.67 O +ATOM 1213 N GLN A 182 1.625 -35.254 -46.523 1.00 52.54 N +ATOM 1214 CA GLN A 182 2.026 -36.613 -46.889 1.00 57.01 C +ATOM 1215 C GLN A 182 2.405 -36.647 -48.372 1.00 57.13 C +ATOM 1216 O GLN A 182 1.728 -36.038 -49.198 1.00 55.97 O +ATOM 1217 CB GLN A 182 0.907 -37.624 -46.586 1.00 56.64 C +ATOM 1218 CG GLN A 182 0.672 -37.782 -45.076 1.00 54.41 C +ATOM 1219 CD GLN A 182 -0.379 -38.844 -44.722 1.00 50.84 C +ATOM 1220 OE1 GLN A 182 -1.029 -39.457 -45.552 1.00 50.53 O +ATOM 1221 NE2 GLN A 182 -0.589 -39.112 -43.460 1.00 46.35 N +ATOM 1222 N ASN A 183 3.452 -37.409 -48.686 1.00 60.79 N +ATOM 1223 CA ASN A 183 3.842 -37.639 -50.070 1.00 64.78 C +ATOM 1224 C ASN A 183 2.664 -38.212 -50.869 1.00 62.90 C +ATOM 1225 O ASN A 183 1.857 -38.992 -50.345 1.00 60.29 O +ATOM 1226 CB ASN A 183 5.057 -38.589 -50.128 1.00 63.12 C +ATOM 1227 CG ASN A 183 6.325 -38.023 -49.505 1.00 59.18 C +ATOM 1228 OD1 ASN A 183 6.402 -36.894 -49.049 1.00 56.90 O +ATOM 1229 ND2 ASN A 183 7.374 -38.798 -49.439 1.00 54.63 N +ATOM 1230 N GLY A 184 2.587 -37.844 -52.147 1.00 61.24 N +ATOM 1231 CA GLY A 184 1.634 -38.456 -53.073 1.00 61.44 C +ATOM 1232 C GLY A 184 1.808 -39.976 -53.130 1.00 61.71 C +ATOM 1233 O GLY A 184 2.905 -40.498 -52.925 1.00 59.93 O +ATOM 1234 N GLN A 185 0.721 -40.688 -53.382 1.00 53.54 N +ATOM 1235 CA GLN A 185 0.805 -42.132 -53.594 1.00 58.11 C +ATOM 1236 C GLN A 185 1.524 -42.425 -54.915 1.00 57.41 C +ATOM 1237 O GLN A 185 1.314 -41.714 -55.901 1.00 56.01 O +ATOM 1238 CB GLN A 185 -0.583 -42.781 -53.583 1.00 57.74 C +ATOM 1239 CG GLN A 185 -1.239 -42.723 -52.190 1.00 55.33 C +ATOM 1240 CD GLN A 185 -2.603 -43.414 -52.119 1.00 51.98 C +ATOM 1241 OE1 GLN A 185 -3.158 -43.920 -53.086 1.00 51.44 O +ATOM 1242 NE2 GLN A 185 -3.221 -43.461 -50.961 1.00 47.42 N +ATOM 1243 N ASP A 186 2.304 -43.483 -54.909 1.00 59.17 N +ATOM 1244 CA ASP A 186 2.992 -43.944 -56.116 1.00 62.98 C +ATOM 1245 C ASP A 186 1.988 -44.186 -57.257 1.00 60.92 C +ATOM 1246 O ASP A 186 0.860 -44.644 -57.045 1.00 57.86 O +ATOM 1247 CB ASP A 186 3.791 -45.233 -55.831 1.00 61.67 C +ATOM 1248 CG ASP A 186 4.924 -45.095 -54.805 1.00 59.33 C +ATOM 1249 OD1 ASP A 186 5.324 -43.954 -54.492 1.00 57.38 O +ATOM 1250 OD2 ASP A 186 5.382 -46.147 -54.318 1.00 54.98 O +ATOM 1251 N GLY A 187 2.409 -43.878 -58.483 1.00 60.66 N +ATOM 1252 CA GLY A 187 1.619 -44.151 -59.675 1.00 60.51 C +ATOM 1253 C GLY A 187 1.329 -45.650 -59.842 1.00 60.59 C +ATOM 1254 O GLY A 187 2.130 -46.503 -59.475 1.00 58.15 O +ATOM 1255 N LEU A 188 0.170 -45.964 -60.426 1.00 54.21 N +ATOM 1256 CA LEU A 188 -0.145 -47.356 -60.750 1.00 59.35 C +ATOM 1257 C LEU A 188 0.815 -47.882 -61.830 1.00 58.31 C +ATOM 1258 O LEU A 188 1.163 -47.129 -62.746 1.00 58.05 O +ATOM 1259 CB LEU A 188 -1.608 -47.489 -61.203 1.00 59.14 C +ATOM 1260 CG LEU A 188 -2.649 -47.214 -60.108 1.00 55.74 C +ATOM 1261 CD1 LEU A 188 -4.048 -47.262 -60.724 1.00 54.28 C +ATOM 1262 CD2 LEU A 188 -2.601 -48.233 -58.976 1.00 52.62 C +ATOM 1263 N PRO A 189 1.166 -49.157 -61.778 1.00 59.10 N +ATOM 1264 CA PRO A 189 1.985 -49.771 -62.822 1.00 62.72 C +ATOM 1265 C PRO A 189 1.399 -49.567 -64.227 1.00 60.28 C +ATOM 1266 O PRO A 189 0.181 -49.604 -64.417 1.00 59.01 O +ATOM 1267 CB PRO A 189 2.078 -51.263 -62.468 1.00 63.16 C +ATOM 1268 CG PRO A 189 1.882 -51.285 -60.959 1.00 58.59 C +ATOM 1269 CD PRO A 189 0.915 -50.136 -60.702 1.00 59.55 C +ATOM 1270 N GLY A 190 2.280 -49.390 -65.201 1.00 60.30 N +ATOM 1271 CA GLY A 190 1.893 -49.347 -66.606 1.00 60.51 C +ATOM 1272 C GLY A 190 1.232 -50.654 -67.061 1.00 60.58 C +ATOM 1273 O GLY A 190 1.480 -51.722 -66.505 1.00 58.80 O +ATOM 1274 N LYS A 191 0.360 -50.574 -68.069 1.00 54.26 N +ATOM 1275 CA LYS A 191 -0.240 -51.778 -68.665 1.00 59.51 C +ATOM 1276 C LYS A 191 0.806 -52.542 -69.464 1.00 57.95 C +ATOM 1277 O LYS A 191 1.623 -51.918 -70.143 1.00 57.33 O +ATOM 1278 CB LYS A 191 -1.438 -51.423 -69.556 1.00 58.95 C +ATOM 1279 CG LYS A 191 -2.605 -50.841 -68.750 1.00 56.12 C +ATOM 1280 CD LYS A 191 -3.804 -50.597 -69.657 1.00 54.38 C +ATOM 1281 CE LYS A 191 -4.961 -50.015 -68.842 1.00 51.59 C +ATOM 1282 NZ LYS A 191 -6.171 -49.807 -69.667 1.00 45.79 N +ATOM 1283 N ASP A 192 0.706 -53.853 -69.432 1.00 55.01 N +ATOM 1284 CA ASP A 192 1.563 -54.727 -70.229 1.00 58.37 C +ATOM 1285 C ASP A 192 1.537 -54.325 -71.713 1.00 56.10 C +ATOM 1286 O ASP A 192 0.504 -53.923 -72.268 1.00 54.18 O +ATOM 1287 CB ASP A 192 1.136 -56.203 -70.059 1.00 57.38 C +ATOM 1288 CG ASP A 192 1.250 -56.752 -68.629 1.00 54.66 C +ATOM 1289 OD1 ASP A 192 1.879 -56.105 -67.769 1.00 52.76 O +ATOM 1290 OD2 ASP A 192 0.691 -57.843 -68.373 1.00 50.91 O +ATOM 1291 N GLY A 193 2.691 -54.435 -72.364 1.00 57.41 N +ATOM 1292 CA GLY A 193 2.821 -54.218 -73.799 1.00 57.47 C +ATOM 1293 C GLY A 193 1.992 -55.211 -74.610 1.00 57.14 C +ATOM 1294 O GLY A 193 1.700 -56.324 -74.164 1.00 54.87 O +ATOM 1295 N LYS A 194 1.570 -54.795 -75.807 1.00 52.05 N +ATOM 1296 CA LYS A 194 0.882 -55.719 -76.721 1.00 56.12 C +ATOM 1297 C LYS A 194 1.888 -56.714 -77.293 1.00 54.98 C +ATOM 1298 O LYS A 194 3.007 -56.328 -77.604 1.00 53.91 O +ATOM 1299 CB LYS A 194 0.192 -54.961 -77.862 1.00 55.14 C +ATOM 1300 CG LYS A 194 -0.977 -54.103 -77.384 1.00 51.81 C +ATOM 1301 CD LYS A 194 -1.661 -53.454 -78.584 1.00 50.28 C +ATOM 1302 CE LYS A 194 -2.843 -52.588 -78.143 1.00 46.91 C +ATOM 1303 NZ LYS A 194 -3.515 -51.968 -79.309 1.00 42.55 N +ATOM 1304 N ASP A 195 1.440 -57.943 -77.481 1.00 49.64 N +ATOM 1305 CA ASP A 195 2.244 -58.973 -78.129 1.00 52.58 C +ATOM 1306 C ASP A 195 2.766 -58.481 -79.492 1.00 50.62 C +ATOM 1307 O ASP A 195 2.056 -57.835 -80.273 1.00 49.76 O +ATOM 1308 CB ASP A 195 1.431 -60.272 -78.307 1.00 52.33 C +ATOM 1309 CG ASP A 195 0.961 -60.931 -77.004 1.00 50.03 C +ATOM 1310 OD1 ASP A 195 1.483 -60.594 -75.921 1.00 48.13 O +ATOM 1311 OD2 ASP A 195 0.054 -61.785 -77.080 1.00 46.86 O +ATOM 1312 N GLY A 196 4.027 -58.791 -79.775 1.00 51.17 N +ATOM 1313 CA GLY A 196 4.670 -58.459 -81.035 1.00 52.00 C +ATOM 1314 C GLY A 196 4.023 -59.180 -82.217 1.00 51.92 C +ATOM 1315 O GLY A 196 3.527 -60.300 -82.106 1.00 50.11 O +ATOM 1316 N GLN A 197 4.043 -58.556 -83.409 1.00 42.92 N +ATOM 1317 CA GLN A 197 3.701 -59.235 -84.655 1.00 46.60 C +ATOM 1318 C GLN A 197 4.869 -60.128 -85.100 1.00 46.00 C +ATOM 1319 O GLN A 197 6.017 -59.831 -84.811 1.00 45.37 O +ATOM 1320 CB GLN A 197 3.330 -58.225 -85.747 1.00 46.33 C +ATOM 1321 CG GLN A 197 2.033 -57.472 -85.420 1.00 43.70 C +ATOM 1322 CD GLN A 197 1.585 -56.526 -86.538 1.00 40.97 C +ATOM 1323 OE1 GLN A 197 2.222 -56.316 -87.545 1.00 39.30 O +ATOM 1324 NE2 GLN A 197 0.435 -55.877 -86.384 1.00 37.79 N +ATOM 1325 N ASN A 198 4.562 -61.190 -85.818 1.00 47.36 N +ATOM 1326 CA ASN A 198 5.561 -62.149 -86.277 1.00 51.09 C +ATOM 1327 C ASN A 198 6.818 -61.464 -86.844 1.00 48.81 C +ATOM 1328 O ASN A 198 6.733 -60.679 -87.789 1.00 48.06 O +ATOM 1329 CB ASN A 198 4.954 -63.076 -87.359 1.00 50.96 C +ATOM 1330 CG ASN A 198 3.966 -64.101 -86.826 1.00 47.75 C +ATOM 1331 OD1 ASN A 198 3.701 -64.220 -85.650 1.00 45.82 O +ATOM 1332 ND2 ASN A 198 3.374 -64.884 -87.691 1.00 43.87 N +ATOM 1333 N GLY A 199 7.981 -61.782 -86.297 1.00 47.31 N +ATOM 1334 CA GLY A 199 9.291 -61.300 -86.730 1.00 48.22 C +ATOM 1335 C GLY A 199 9.743 -59.967 -86.124 1.00 47.07 C +ATOM 1336 O GLY A 199 10.742 -59.411 -86.591 1.00 45.66 O +ATOM 1337 N LYS A 200 9.044 -59.457 -85.189 1.00 42.48 N +ATOM 1338 CA LYS A 200 9.485 -58.276 -84.428 1.00 46.93 C +ATOM 1339 C LYS A 200 9.147 -58.440 -82.952 1.00 45.29 C +ATOM 1340 O LYS A 200 8.044 -58.878 -82.628 1.00 45.13 O +ATOM 1341 CB LYS A 200 8.821 -56.997 -84.961 1.00 47.09 C +ATOM 1342 CG LYS A 200 9.250 -56.650 -86.385 1.00 44.68 C +ATOM 1343 CD LYS A 200 8.680 -55.293 -86.800 1.00 43.02 C +ATOM 1344 CE LYS A 200 9.127 -54.992 -88.231 1.00 39.67 C +ATOM 1345 NZ LYS A 200 8.652 -53.665 -88.683 1.00 36.15 N +ATOM 1346 N ASP A 201 10.051 -58.002 -82.091 1.00 45.73 N +ATOM 1347 CA ASP A 201 9.842 -58.010 -80.651 1.00 48.87 C +ATOM 1348 C ASP A 201 8.661 -57.115 -80.262 1.00 47.64 C +ATOM 1349 O ASP A 201 8.347 -56.121 -80.932 1.00 47.00 O +ATOM 1350 CB ASP A 201 11.137 -57.582 -79.928 1.00 48.29 C +ATOM 1351 CG ASP A 201 12.354 -58.414 -80.320 1.00 46.08 C +ATOM 1352 OD1 ASP A 201 12.159 -59.558 -80.794 1.00 43.80 O +ATOM 1353 OD2 ASP A 201 13.466 -57.858 -80.270 1.00 42.70 O +ATOM 1354 N GLY A 202 7.988 -57.470 -79.194 1.00 45.29 N +ATOM 1355 CA GLY A 202 6.923 -56.657 -78.618 1.00 46.43 C +ATOM 1356 C GLY A 202 7.453 -55.301 -78.145 1.00 45.65 C +ATOM 1357 O GLY A 202 8.572 -55.193 -77.659 1.00 44.34 O +ATOM 1358 N LEU A 203 6.645 -54.273 -78.317 1.00 43.82 N +ATOM 1359 CA LEU A 203 7.023 -52.953 -77.809 1.00 47.97 C +ATOM 1360 C LEU A 203 7.018 -52.968 -76.268 1.00 46.70 C +ATOM 1361 O LEU A 203 6.118 -53.584 -75.685 1.00 46.81 O +ATOM 1362 CB LEU A 203 6.082 -51.870 -78.356 1.00 47.53 C +ATOM 1363 CG LEU A 203 6.191 -51.616 -79.871 1.00 44.54 C +ATOM 1364 CD1 LEU A 203 5.101 -50.641 -80.310 1.00 42.84 C +ATOM 1365 CD2 LEU A 203 7.544 -51.052 -80.274 1.00 41.53 C +ATOM 1366 N PRO A 204 7.930 -52.260 -75.635 1.00 48.91 N +ATOM 1367 CA PRO A 204 7.917 -52.093 -74.186 1.00 52.01 C +ATOM 1368 C PRO A 204 6.571 -51.556 -73.688 1.00 50.17 C +ATOM 1369 O PRO A 204 5.861 -50.829 -74.392 1.00 50.52 O +ATOM 1370 CB PRO A 204 9.067 -51.130 -73.858 1.00 52.15 C +ATOM 1371 CG PRO A 204 10.032 -51.311 -75.017 1.00 49.96 C +ATOM 1372 CD PRO A 204 9.130 -51.597 -76.197 1.00 50.97 C +ATOM 1373 N GLY A 205 6.218 -51.926 -72.497 1.00 48.02 N +ATOM 1374 CA GLY A 205 5.068 -51.335 -71.800 1.00 50.50 C +ATOM 1375 C GLY A 205 5.263 -49.827 -71.587 1.00 50.98 C +ATOM 1376 O GLY A 205 6.382 -49.342 -71.476 1.00 49.39 O +ATOM 1377 N LYS A 206 4.168 -49.088 -71.577 1.00 46.68 N +ATOM 1378 CA LYS A 206 4.252 -47.660 -71.269 1.00 52.14 C +ATOM 1379 C LYS A 206 4.546 -47.459 -69.789 1.00 50.35 C +ATOM 1380 O LYS A 206 3.970 -48.165 -68.967 1.00 50.17 O +ATOM 1381 CB LYS A 206 2.955 -46.930 -71.650 1.00 52.42 C +ATOM 1382 CG LYS A 206 2.715 -46.922 -73.162 1.00 49.83 C +ATOM 1383 CD LYS A 206 1.495 -46.062 -73.489 1.00 47.93 C +ATOM 1384 CE LYS A 206 1.294 -46.020 -75.004 1.00 45.38 C +ATOM 1385 NZ LYS A 206 0.235 -45.059 -75.372 1.00 40.79 N +ATOM 1386 N ASP A 207 5.335 -46.448 -69.500 1.00 51.70 N +ATOM 1387 CA ASP A 207 5.620 -46.047 -68.128 1.00 55.87 C +ATOM 1388 C ASP A 207 4.332 -45.755 -67.353 1.00 53.70 C +ATOM 1389 O ASP A 207 3.297 -45.369 -67.912 1.00 51.72 O +ATOM 1390 CB ASP A 207 6.571 -44.833 -68.121 1.00 54.43 C +ATOM 1391 CG ASP A 207 7.871 -45.074 -68.892 1.00 51.29 C +ATOM 1392 OD1 ASP A 207 8.264 -46.258 -69.026 1.00 48.65 O +ATOM 1393 OD2 ASP A 207 8.401 -44.090 -69.448 1.00 46.59 O +ATOM 1394 N GLY A 208 4.378 -46.015 -66.086 1.00 49.20 N +ATOM 1395 CA GLY A 208 3.301 -45.651 -65.171 1.00 51.49 C +ATOM 1396 C GLY A 208 3.084 -44.136 -65.137 1.00 51.83 C +ATOM 1397 O GLY A 208 3.993 -43.356 -65.384 1.00 50.14 O +ATOM 1398 N LYS A 209 1.856 -43.693 -64.852 1.00 49.29 N +ATOM 1399 CA LYS A 209 1.601 -42.264 -64.645 1.00 54.33 C +ATOM 1400 C LYS A 209 2.220 -41.827 -63.324 1.00 52.36 C +ATOM 1401 O LYS A 209 2.066 -42.531 -62.331 1.00 51.99 O +ATOM 1402 CB LYS A 209 0.100 -41.956 -64.632 1.00 54.32 C +ATOM 1403 CG LYS A 209 -0.560 -42.163 -66.002 1.00 51.50 C +ATOM 1404 CD LYS A 209 -2.022 -41.719 -65.906 1.00 49.68 C +ATOM 1405 CE LYS A 209 -2.711 -41.853 -67.259 1.00 46.79 C +ATOM 1406 NZ LYS A 209 -4.084 -41.305 -67.194 1.00 42.35 N +ATOM 1407 N ASP A 210 2.806 -40.643 -63.340 1.00 50.83 N +ATOM 1408 CA ASP A 210 3.329 -40.026 -62.127 1.00 54.99 C +ATOM 1409 C ASP A 210 2.251 -39.949 -61.034 1.00 52.90 C +ATOM 1410 O ASP A 210 1.055 -39.784 -61.303 1.00 51.43 O +ATOM 1411 CB ASP A 210 3.885 -38.621 -62.430 1.00 54.30 C +ATOM 1412 CG ASP A 210 4.927 -38.598 -63.540 1.00 52.29 C +ATOM 1413 OD1 ASP A 210 5.504 -39.674 -63.835 1.00 50.12 O +ATOM 1414 OD2 ASP A 210 5.036 -37.533 -64.189 1.00 48.40 O +ATOM 1415 N GLY A 211 2.669 -40.103 -59.805 1.00 49.97 N +ATOM 1416 CA GLY A 211 1.805 -39.913 -58.652 1.00 51.72 C +ATOM 1417 C GLY A 211 1.285 -38.472 -58.582 1.00 52.43 C +ATOM 1418 O GLY A 211 1.957 -37.532 -58.980 1.00 50.77 O +ATOM 1419 N GLN A 212 0.067 -38.302 -58.089 1.00 47.23 N +ATOM 1420 CA GLN A 212 -0.442 -36.952 -57.839 1.00 52.14 C +ATOM 1421 C GLN A 212 0.339 -36.306 -56.691 1.00 51.44 C +ATOM 1422 O GLN A 212 0.559 -36.957 -55.669 1.00 50.44 O +ATOM 1423 CB GLN A 212 -1.946 -36.960 -57.530 1.00 52.07 C +ATOM 1424 CG GLN A 212 -2.778 -37.354 -58.757 1.00 49.40 C +ATOM 1425 CD GLN A 212 -4.295 -37.304 -58.516 1.00 45.73 C +ATOM 1426 OE1 GLN A 212 -4.807 -37.116 -57.426 1.00 44.71 O +ATOM 1427 NE2 GLN A 212 -5.080 -37.476 -59.536 1.00 41.93 N +ATOM 1428 N ASN A 213 0.693 -35.039 -56.868 1.00 53.07 N +ATOM 1429 CA ASN A 213 1.358 -34.283 -55.816 1.00 56.79 C +ATOM 1430 C ASN A 213 0.554 -34.349 -54.510 1.00 54.81 C +ATOM 1431 O ASN A 213 -0.679 -34.343 -54.507 1.00 53.54 O +ATOM 1432 CB ASN A 213 1.572 -32.823 -56.271 1.00 55.54 C +ATOM 1433 CG ASN A 213 2.494 -32.685 -57.470 1.00 52.79 C +ATOM 1434 OD1 ASN A 213 3.030 -33.644 -58.001 1.00 51.49 O +ATOM 1435 ND2 ASN A 213 2.682 -31.494 -57.975 1.00 49.10 N +ATOM 1436 N GLY A 214 1.245 -34.408 -53.409 1.00 50.81 N +ATOM 1437 CA GLY A 214 0.639 -34.278 -52.094 1.00 52.34 C +ATOM 1438 C GLY A 214 -0.102 -32.941 -51.955 1.00 52.29 C +ATOM 1439 O GLY A 214 0.294 -31.942 -52.541 1.00 50.54 O +ATOM 1440 N LYS A 215 -1.209 -32.937 -51.212 1.00 47.78 N +ATOM 1441 CA LYS A 215 -1.914 -31.682 -50.928 1.00 52.52 C +ATOM 1442 C LYS A 215 -1.043 -30.784 -50.042 1.00 51.28 C +ATOM 1443 O LYS A 215 -0.418 -31.282 -49.108 1.00 51.07 O +ATOM 1444 CB LYS A 215 -3.264 -31.941 -50.255 1.00 52.93 C +ATOM 1445 CG LYS A 215 -4.257 -32.650 -51.181 1.00 50.80 C +ATOM 1446 CD LYS A 215 -5.599 -32.841 -50.465 1.00 49.04 C +ATOM 1447 CE LYS A 215 -6.574 -33.577 -51.381 1.00 46.56 C +ATOM 1448 NZ LYS A 215 -7.866 -33.821 -50.711 1.00 42.00 N +ATOM 1449 N ASP A 216 -1.102 -29.481 -50.317 1.00 51.82 N +ATOM 1450 CA ASP A 216 -0.411 -28.487 -49.506 1.00 55.15 C +ATOM 1451 C ASP A 216 -0.732 -28.660 -48.019 1.00 53.31 C +ATOM 1452 O ASP A 216 -1.882 -28.909 -47.621 1.00 51.96 O +ATOM 1453 CB ASP A 216 -0.786 -27.058 -49.951 1.00 54.77 C +ATOM 1454 CG ASP A 216 -0.512 -26.765 -51.421 1.00 53.22 C +ATOM 1455 OD1 ASP A 216 0.318 -27.485 -52.022 1.00 51.07 O +ATOM 1456 OD2 ASP A 216 -1.203 -25.879 -51.959 1.00 49.47 O +ATOM 1457 N GLY A 217 0.271 -28.534 -47.205 1.00 52.15 N +ATOM 1458 CA GLY A 217 0.094 -28.501 -45.752 1.00 53.63 C +ATOM 1459 C GLY A 217 -0.779 -27.308 -45.331 1.00 53.86 C +ATOM 1460 O GLY A 217 -0.658 -26.209 -45.862 1.00 52.01 O +ATOM 1461 N LEU A 218 -1.676 -27.522 -44.373 1.00 47.12 N +ATOM 1462 CA LEU A 218 -2.463 -26.420 -43.817 1.00 50.76 C +ATOM 1463 C LEU A 218 -1.553 -25.395 -43.105 1.00 49.90 C +ATOM 1464 O LEU A 218 -0.597 -25.793 -42.434 1.00 49.93 O +ATOM 1465 CB LEU A 218 -3.555 -26.959 -42.870 1.00 50.16 C +ATOM 1466 CG LEU A 218 -4.688 -27.724 -43.570 1.00 47.11 C +ATOM 1467 CD1 LEU A 218 -5.599 -28.376 -42.527 1.00 45.42 C +ATOM 1468 CD2 LEU A 218 -5.565 -26.815 -44.435 1.00 44.16 C +ATOM 1469 N PRO A 219 -1.853 -24.093 -43.225 1.00 50.44 N +ATOM 1470 CA PRO A 219 -0.880 -23.048 -42.892 1.00 52.63 C +ATOM 1471 C PRO A 219 -0.553 -22.966 -41.398 1.00 50.75 C +ATOM 1472 O PRO A 219 -1.289 -22.383 -40.602 1.00 51.15 O +ATOM 1473 CB PRO A 219 -1.457 -21.746 -43.468 1.00 53.10 C +ATOM 1474 CG PRO A 219 -2.960 -21.991 -43.514 1.00 51.68 C +ATOM 1475 CD PRO A 219 -3.065 -23.479 -43.779 1.00 52.58 C +ATOM 1476 N GLY A 220 0.607 -23.440 -41.072 1.00 51.51 N +ATOM 1477 CA GLY A 220 1.521 -22.754 -40.174 1.00 52.90 C +ATOM 1478 C GLY A 220 2.789 -22.518 -40.999 1.00 52.65 C +ATOM 1479 O GLY A 220 3.224 -23.446 -41.646 1.00 51.04 O +ATOM 1480 N LYS A 221 3.298 -21.277 -41.061 1.00 51.88 N +ATOM 1481 CA LYS A 221 4.398 -20.785 -41.919 1.00 56.43 C +ATOM 1482 C LYS A 221 4.941 -21.830 -42.913 1.00 54.97 C +ATOM 1483 O LYS A 221 5.663 -22.723 -42.490 1.00 53.80 O +ATOM 1484 CB LYS A 221 5.564 -20.294 -41.051 1.00 55.65 C +ATOM 1485 CG LYS A 221 5.258 -19.011 -40.277 1.00 52.37 C +ATOM 1486 CD LYS A 221 6.498 -18.569 -39.502 1.00 50.39 C +ATOM 1487 CE LYS A 221 6.244 -17.249 -38.775 1.00 47.41 C +ATOM 1488 NZ LYS A 221 7.458 -16.789 -38.056 1.00 42.88 N +ATOM 1489 N ASP A 222 4.591 -21.637 -44.193 1.00 54.60 N +ATOM 1490 CA ASP A 222 5.050 -22.367 -45.375 1.00 57.57 C +ATOM 1491 C ASP A 222 5.568 -23.792 -45.096 1.00 55.42 C +ATOM 1492 O ASP A 222 6.767 -24.020 -44.936 1.00 53.64 O +ATOM 1493 CB ASP A 222 6.054 -21.511 -46.169 1.00 56.42 C +ATOM 1494 CG ASP A 222 5.524 -20.100 -46.484 1.00 53.84 C +ATOM 1495 OD1 ASP A 222 4.282 -19.932 -46.485 1.00 51.85 O +ATOM 1496 OD2 ASP A 222 6.359 -19.180 -46.601 1.00 50.78 O +ATOM 1497 N GLY A 223 4.651 -24.734 -45.001 1.00 55.11 N +ATOM 1498 CA GLY A 223 5.023 -26.147 -45.065 1.00 56.66 C +ATOM 1499 C GLY A 223 5.743 -26.403 -46.388 1.00 56.44 C +ATOM 1500 O GLY A 223 5.354 -25.849 -47.409 1.00 54.15 O +ATOM 1501 N LYS A 224 6.826 -27.172 -46.330 1.00 56.38 N +ATOM 1502 CA LYS A 224 7.540 -27.532 -47.561 1.00 61.24 C +ATOM 1503 C LYS A 224 6.603 -28.358 -48.441 1.00 60.58 C +ATOM 1504 O LYS A 224 5.885 -29.213 -47.922 1.00 59.09 O +ATOM 1505 CB LYS A 224 8.816 -28.310 -47.252 1.00 59.45 C +ATOM 1506 CG LYS A 224 9.860 -27.453 -46.534 1.00 55.11 C +ATOM 1507 CD LYS A 224 11.107 -28.289 -46.250 1.00 52.95 C +ATOM 1508 CE LYS A 224 12.158 -27.451 -45.521 1.00 49.20 C +ATOM 1509 NZ LYS A 224 13.345 -28.270 -45.190 1.00 44.18 N +ATOM 1510 N ASP A 225 6.659 -28.118 -49.746 1.00 60.82 N +ATOM 1511 CA ASP A 225 5.944 -28.941 -50.713 1.00 64.75 C +ATOM 1512 C ASP A 225 6.270 -30.417 -50.468 1.00 63.81 C +ATOM 1513 O ASP A 225 7.416 -30.776 -50.162 1.00 60.75 O +ATOM 1514 CB ASP A 225 6.301 -28.518 -52.152 1.00 62.74 C +ATOM 1515 CG ASP A 225 5.975 -27.055 -52.462 1.00 59.40 C +ATOM 1516 OD1 ASP A 225 5.085 -26.493 -51.785 1.00 56.84 O +ATOM 1517 OD2 ASP A 225 6.669 -26.483 -53.328 1.00 55.36 O +ATOM 1518 N GLY A 226 5.256 -31.261 -50.550 1.00 61.79 N +ATOM 1519 CA GLY A 226 5.471 -32.702 -50.479 1.00 63.03 C +ATOM 1520 C GLY A 226 6.419 -33.146 -51.596 1.00 63.62 C +ATOM 1521 O GLY A 226 6.357 -32.625 -52.707 1.00 61.70 O +ATOM 1522 N GLN A 227 7.304 -34.084 -51.291 1.00 57.82 N +ATOM 1523 CA GLN A 227 8.161 -34.648 -52.334 1.00 63.20 C +ATOM 1524 C GLN A 227 7.306 -35.379 -53.366 1.00 63.83 C +ATOM 1525 O GLN A 227 6.313 -36.020 -53.004 1.00 61.80 O +ATOM 1526 CB GLN A 227 9.215 -35.592 -51.741 1.00 61.91 C +ATOM 1527 CG GLN A 227 10.267 -34.837 -50.907 1.00 58.30 C +ATOM 1528 CD GLN A 227 11.369 -35.735 -50.350 1.00 53.55 C +ATOM 1529 OE1 GLN A 227 11.356 -36.952 -50.403 1.00 52.27 O +ATOM 1530 NE2 GLN A 227 12.395 -35.157 -49.767 1.00 48.40 N +ATOM 1531 N ASP A 228 7.705 -35.275 -54.622 1.00 65.17 N +ATOM 1532 CA ASP A 228 7.039 -35.983 -55.707 1.00 70.15 C +ATOM 1533 C ASP A 228 6.934 -37.477 -55.401 1.00 68.94 C +ATOM 1534 O ASP A 228 7.834 -38.082 -54.799 1.00 64.91 O +ATOM 1535 CB ASP A 228 7.779 -35.751 -57.035 1.00 68.09 C +ATOM 1536 CG ASP A 228 7.813 -34.277 -57.469 1.00 64.58 C +ATOM 1537 OD1 ASP A 228 6.886 -33.521 -57.075 1.00 61.38 O +ATOM 1538 OD2 ASP A 228 8.783 -33.903 -58.161 1.00 59.21 O +ATOM 1539 N GLY A 229 5.823 -38.081 -55.792 1.00 66.21 N +ATOM 1540 CA GLY A 229 5.663 -39.529 -55.710 1.00 67.65 C +ATOM 1541 C GLY A 229 6.706 -40.238 -56.570 1.00 67.43 C +ATOM 1542 O GLY A 229 7.142 -39.716 -57.588 1.00 64.86 O +ATOM 1543 N LYS A 230 7.106 -41.435 -56.143 1.00 61.96 N +ATOM 1544 CA LYS A 230 8.044 -42.221 -56.941 1.00 69.72 C +ATOM 1545 C LYS A 230 7.400 -42.637 -58.259 1.00 68.78 C +ATOM 1546 O LYS A 230 6.209 -42.940 -58.301 1.00 67.68 O +ATOM 1547 CB LYS A 230 8.522 -43.455 -56.176 1.00 67.87 C +ATOM 1548 CG LYS A 230 9.371 -43.087 -54.953 1.00 63.46 C +ATOM 1549 CD LYS A 230 9.796 -44.369 -54.241 1.00 60.87 C +ATOM 1550 CE LYS A 230 10.606 -44.019 -52.989 1.00 56.99 C +ATOM 1551 NZ LYS A 230 10.951 -45.241 -52.244 1.00 50.27 N +ATOM 1552 N ASP A 231 8.223 -42.698 -59.285 1.00 68.63 N +ATOM 1553 CA ASP A 231 7.789 -43.202 -60.588 1.00 72.68 C +ATOM 1554 C ASP A 231 7.155 -44.591 -60.454 1.00 70.73 C +ATOM 1555 O ASP A 231 7.599 -45.440 -59.669 1.00 65.10 O +ATOM 1556 CB ASP A 231 8.970 -43.254 -61.569 1.00 69.92 C +ATOM 1557 CG ASP A 231 9.632 -41.900 -61.821 1.00 66.92 C +ATOM 1558 OD1 ASP A 231 8.971 -40.867 -61.574 1.00 62.83 O +ATOM 1559 OD2 ASP A 231 10.814 -41.916 -62.212 1.00 60.53 O +ATOM 1560 N GLY A 232 6.109 -44.823 -61.242 1.00 67.67 N +ATOM 1561 CA GLY A 232 5.505 -46.145 -61.339 1.00 68.23 C +ATOM 1562 C GLY A 232 6.494 -47.183 -61.884 1.00 67.95 C +ATOM 1563 O GLY A 232 7.373 -46.871 -62.680 1.00 64.47 O +ATOM 1564 N LEU A 233 6.328 -48.422 -61.444 1.00 60.94 N +ATOM 1565 CA LEU A 233 7.176 -49.497 -61.961 1.00 67.17 C +ATOM 1566 C LEU A 233 6.980 -49.649 -63.487 1.00 65.63 C +ATOM 1567 O LEU A 233 5.851 -49.518 -63.966 1.00 64.71 O +ATOM 1568 CB LEU A 233 6.873 -50.823 -61.241 1.00 66.30 C +ATOM 1569 CG LEU A 233 7.249 -50.847 -59.742 1.00 62.52 C +ATOM 1570 CD1 LEU A 233 6.770 -52.153 -59.115 1.00 59.30 C +ATOM 1571 CD2 LEU A 233 8.761 -50.750 -59.522 1.00 58.36 C +ATOM 1572 N PRO A 234 8.042 -49.975 -64.229 1.00 66.11 N +ATOM 1573 CA PRO A 234 7.936 -50.249 -65.659 1.00 70.50 C +ATOM 1574 C PRO A 234 6.887 -51.328 -65.966 1.00 67.17 C +ATOM 1575 O PRO A 234 6.709 -52.280 -65.203 1.00 63.99 O +ATOM 1576 CB PRO A 234 9.333 -50.687 -66.116 1.00 70.32 C +ATOM 1577 CG PRO A 234 10.259 -50.028 -65.095 1.00 66.25 C +ATOM 1578 CD PRO A 234 9.447 -50.049 -63.811 1.00 66.67 C +ATOM 1579 N GLY A 235 6.210 -51.175 -67.100 1.00 65.30 N +ATOM 1580 CA GLY A 235 5.344 -52.231 -67.612 1.00 66.70 C +ATOM 1581 C GLY A 235 6.142 -53.494 -67.940 1.00 65.56 C +ATOM 1582 O GLY A 235 7.323 -53.425 -68.276 1.00 62.87 O +ATOM 1583 N LYS A 236 5.497 -54.653 -67.834 1.00 61.56 N +ATOM 1584 CA LYS A 236 6.147 -55.908 -68.222 1.00 68.02 C +ATOM 1585 C LYS A 236 6.383 -55.930 -69.729 1.00 66.77 C +ATOM 1586 O LYS A 236 5.535 -55.480 -70.500 1.00 64.45 O +ATOM 1587 CB LYS A 236 5.311 -57.115 -67.793 1.00 65.66 C +ATOM 1588 CG LYS A 236 5.223 -57.251 -66.271 1.00 61.60 C +ATOM 1589 CD LYS A 236 4.386 -58.475 -65.908 1.00 58.20 C +ATOM 1590 CE LYS A 236 4.244 -58.578 -64.397 1.00 55.23 C +ATOM 1591 NZ LYS A 236 3.338 -59.674 -64.033 1.00 48.48 N +ATOM 1592 N ASP A 237 7.503 -56.537 -70.125 1.00 64.14 N +ATOM 1593 CA ASP A 237 7.820 -56.734 -71.531 1.00 68.57 C +ATOM 1594 C ASP A 237 6.703 -57.519 -72.239 1.00 65.90 C +ATOM 1595 O ASP A 237 6.075 -58.418 -71.664 1.00 60.81 O +ATOM 1596 CB ASP A 237 9.174 -57.452 -71.676 1.00 65.91 C +ATOM 1597 CG ASP A 237 10.344 -56.688 -71.062 1.00 61.76 C +ATOM 1598 OD1 ASP A 237 10.245 -55.440 -70.959 1.00 57.95 O +ATOM 1599 OD2 ASP A 237 11.307 -57.351 -70.648 1.00 56.13 O +ATOM 1600 N GLY A 238 6.431 -57.153 -73.493 1.00 64.41 N +ATOM 1601 CA GLY A 238 5.527 -57.915 -74.349 1.00 64.95 C +ATOM 1602 C GLY A 238 6.062 -59.320 -74.629 1.00 64.14 C +ATOM 1603 O GLY A 238 7.271 -59.545 -74.621 1.00 60.97 O +ATOM 1604 N LYS A 239 5.158 -60.267 -74.882 1.00 61.69 N +ATOM 1605 CA LYS A 239 5.583 -61.624 -75.257 1.00 68.03 C +ATOM 1606 C LYS A 239 6.244 -61.608 -76.632 1.00 66.57 C +ATOM 1607 O LYS A 239 5.780 -60.910 -77.533 1.00 64.06 O +ATOM 1608 CB LYS A 239 4.400 -62.593 -75.255 1.00 65.53 C +ATOM 1609 CG LYS A 239 3.824 -62.812 -73.851 1.00 61.02 C +ATOM 1610 CD LYS A 239 2.632 -63.748 -73.937 1.00 58.44 C +ATOM 1611 CE LYS A 239 1.986 -63.896 -72.565 1.00 55.16 C +ATOM 1612 NZ LYS A 239 0.705 -64.623 -72.669 1.00 49.11 N +ATOM 1613 N ASP A 240 7.279 -62.419 -76.757 1.00 64.44 N +ATOM 1614 CA ASP A 240 7.951 -62.600 -78.038 1.00 69.29 C +ATOM 1615 C ASP A 240 6.960 -63.006 -79.130 1.00 67.12 C +ATOM 1616 O ASP A 240 6.030 -63.792 -78.915 1.00 61.16 O +ATOM 1617 CB ASP A 240 9.065 -63.655 -77.926 1.00 66.42 C +ATOM 1618 CG ASP A 240 10.178 -63.287 -76.952 1.00 62.84 C +ATOM 1619 OD1 ASP A 240 10.346 -62.081 -76.681 1.00 59.09 O +ATOM 1620 OD2 ASP A 240 10.830 -64.228 -76.467 1.00 56.77 O +ATOM 1621 N GLY A 241 7.171 -62.485 -80.350 1.00 62.48 N +ATOM 1622 CA GLY A 241 6.434 -62.915 -81.530 1.00 63.22 C +ATOM 1623 C GLY A 241 6.690 -64.385 -81.850 1.00 62.65 C +ATOM 1624 O GLY A 241 7.777 -64.906 -81.624 1.00 59.15 O +ATOM 1625 N LEU A 242 5.684 -65.042 -82.401 1.00 57.64 N +ATOM 1626 CA LEU A 242 5.865 -66.431 -82.819 1.00 62.96 C +ATOM 1627 C LEU A 242 6.974 -66.531 -83.884 1.00 61.01 C +ATOM 1628 O LEU A 242 7.050 -65.665 -84.760 1.00 59.74 O +ATOM 1629 CB LEU A 242 4.544 -67.021 -83.361 1.00 62.12 C +ATOM 1630 CG LEU A 242 3.432 -67.193 -82.307 1.00 58.23 C +ATOM 1631 CD1 LEU A 242 2.137 -67.602 -82.988 1.00 55.69 C +ATOM 1632 CD2 LEU A 242 3.783 -68.247 -81.265 1.00 55.06 C +ATOM 1633 N PRO A 243 7.788 -67.611 -83.891 1.00 60.70 N +ATOM 1634 CA PRO A 243 8.824 -67.817 -84.897 1.00 65.12 C +ATOM 1635 C PRO A 243 8.259 -67.750 -86.321 1.00 61.45 C +ATOM 1636 O PRO A 243 7.164 -68.246 -86.604 1.00 58.43 O +ATOM 1637 CB PRO A 243 9.442 -69.190 -84.599 1.00 65.31 C +ATOM 1638 CG PRO A 243 9.192 -69.371 -83.103 1.00 60.73 C +ATOM 1639 CD PRO A 243 7.867 -68.662 -82.873 1.00 60.48 C +ATOM 1640 N GLY A 244 9.021 -67.157 -87.232 1.00 59.51 N +ATOM 1641 CA GLY A 244 8.679 -67.154 -88.651 1.00 60.74 C +ATOM 1642 C GLY A 244 8.599 -68.581 -89.208 1.00 59.18 C +ATOM 1643 O GLY A 244 9.323 -69.464 -88.765 1.00 56.59 O +ATOM 1644 N LYS A 245 7.698 -68.815 -90.170 1.00 59.08 N +ATOM 1645 CA LYS A 245 7.611 -70.133 -90.816 1.00 65.13 C +ATOM 1646 C LYS A 245 8.889 -70.406 -91.588 1.00 63.66 C +ATOM 1647 O LYS A 245 9.345 -69.540 -92.339 1.00 60.80 O +ATOM 1648 CB LYS A 245 6.401 -70.221 -91.754 1.00 62.63 C +ATOM 1649 CG LYS A 245 5.070 -70.164 -91.003 1.00 58.41 C +ATOM 1650 CD LYS A 245 3.888 -70.302 -91.965 1.00 54.69 C +ATOM 1651 CE LYS A 245 2.573 -70.221 -91.178 1.00 52.27 C +ATOM 1652 NZ LYS A 245 1.393 -70.318 -92.059 1.00 46.14 N +ATOM 1653 N ASP A 246 9.396 -71.634 -91.461 1.00 57.72 N +ATOM 1654 CA ASP A 246 10.558 -72.073 -92.209 1.00 62.67 C +ATOM 1655 C ASP A 246 10.375 -71.818 -93.713 1.00 59.03 C +ATOM 1656 O ASP A 246 9.288 -71.974 -94.284 1.00 55.02 O +ATOM 1657 CB ASP A 246 10.856 -73.558 -91.942 1.00 61.27 C +ATOM 1658 CG ASP A 246 11.204 -73.857 -90.478 1.00 58.04 C +ATOM 1659 OD1 ASP A 246 11.779 -72.956 -89.828 1.00 54.56 O +ATOM 1660 OD2 ASP A 246 10.852 -74.957 -90.023 1.00 52.84 O +ATOM 1661 N GLY A 247 11.464 -71.418 -94.403 1.00 57.33 N +ATOM 1662 CA GLY A 247 11.491 -71.230 -95.849 1.00 58.59 C +ATOM 1663 C GLY A 247 11.166 -72.533 -96.581 1.00 57.00 C +ATOM 1664 O GLY A 247 11.548 -73.611 -96.146 1.00 54.42 O +ATOM 1665 N LYS A 248 10.423 -72.433 -97.697 1.00 56.45 N +ATOM 1666 CA LYS A 248 10.132 -73.625 -98.509 1.00 61.61 C +ATOM 1667 C LYS A 248 11.437 -74.194 -99.059 1.00 59.66 C +ATOM 1668 O LYS A 248 12.228 -73.452 -99.638 1.00 57.53 O +ATOM 1669 CB LYS A 248 9.191 -73.291 -99.674 1.00 59.81 C +ATOM 1670 CG LYS A 248 7.780 -72.914 -99.213 1.00 56.10 C +ATOM 1671 CD LYS A 248 6.887 -72.627-100.422 1.00 52.92 C +ATOM 1672 CE LYS A 248 5.477 -72.236 -99.986 1.00 50.74 C +ATOM 1673 NZ LYS A 248 4.630 -71.912-101.150 1.00 45.18 N +ATOM 1674 N ASP A 249 11.596 -75.510 -98.963 1.00 56.40 N +ATOM 1675 CA ASP A 249 12.732 -76.219 -99.535 1.00 61.59 C +ATOM 1676 C ASP A 249 12.904 -75.883-101.020 1.00 58.11 C +ATOM 1677 O ASP A 249 11.942 -75.790-101.798 1.00 54.45 O +ATOM 1678 CB ASP A 249 12.573 -77.740 -99.351 1.00 60.63 C +ATOM 1679 CG ASP A 249 12.605 -78.181 -97.887 1.00 57.58 C +ATOM 1680 OD1 ASP A 249 13.348 -77.540 -97.113 1.00 54.32 O +ATOM 1681 OD2 ASP A 249 11.896 -79.156 -97.566 1.00 52.53 O +ATOM 1682 N GLY A 250 14.159 -75.717-101.445 1.00 56.57 N +ATOM 1683 CA GLY A 250 14.517 -75.474-102.835 1.00 57.62 C +ATOM 1684 C GLY A 250 14.098 -76.646-103.733 1.00 56.94 C +ATOM 1685 O GLY A 250 14.226 -77.805-103.351 1.00 54.40 O +ATOM 1686 N GLN A 251 13.592 -76.351-104.952 1.00 54.44 N +ATOM 1687 CA GLN A 251 13.225 -77.409-105.900 1.00 58.34 C +ATOM 1688 C GLN A 251 14.466 -78.206-106.336 1.00 56.60 C +ATOM 1689 O GLN A 251 15.493 -77.598-106.643 1.00 55.08 O +ATOM 1690 CB GLN A 251 12.518 -76.827-107.142 1.00 57.27 C +ATOM 1691 CG GLN A 251 11.116 -76.302-106.813 1.00 54.34 C +ATOM 1692 CD GLN A 251 10.303 -75.906-108.053 1.00 50.66 C +ATOM 1693 OE1 GLN A 251 10.775 -75.864-109.182 1.00 50.17 O +ATOM 1694 NE2 GLN A 251 9.034 -75.606-107.895 1.00 46.07 N +ATOM 1695 N PRO A 252 14.367 -79.531-106.424 1.00 55.92 N +ATOM 1696 CA PRO A 252 15.473 -80.368-106.875 1.00 59.37 C +ATOM 1697 C PRO A 252 15.915 -79.986-108.298 1.00 56.01 C +ATOM 1698 O PRO A 252 15.093 -79.745-109.182 1.00 54.73 O +ATOM 1699 CB PRO A 252 14.973 -81.813-106.818 1.00 60.47 C +ATOM 1700 CG PRO A 252 13.821 -81.767-105.831 1.00 56.79 C +ATOM 1701 CD PRO A 252 13.239 -80.370-105.993 1.00 57.21 C +ATOM 1702 N GLY A 253 17.229 -79.971-108.523 1.00 56.60 N +ATOM 1703 CA GLY A 253 17.824 -79.712-109.830 1.00 58.60 C +ATOM 1704 C GLY A 253 17.371 -80.721-110.897 1.00 57.47 C +ATOM 1705 O GLY A 253 17.227 -81.910-110.607 1.00 55.63 O +ATOM 1706 N LYS A 254 17.151 -80.260-112.136 1.00 54.45 N +ATOM 1707 CA LYS A 254 16.798 -81.141-113.261 1.00 60.64 C +ATOM 1708 C LYS A 254 17.953 -82.098-113.568 1.00 57.40 C +ATOM 1709 O LYS A 254 19.094 -81.652-113.628 1.00 57.41 O +ATOM 1710 CB LYS A 254 16.448 -80.322-114.512 1.00 59.98 C +ATOM 1711 CG LYS A 254 15.145 -79.534-114.358 1.00 56.54 C +ATOM 1712 CD LYS A 254 14.808 -78.752-115.637 1.00 54.39 C +ATOM 1713 CE LYS A 254 13.506 -77.961-115.459 1.00 51.97 C +ATOM 1714 NZ LYS A 254 13.189 -77.127-116.641 1.00 46.14 N +ATOM 1715 N PRO A 255 17.675 -83.407-113.835 1.00 56.69 N +ATOM 1716 CA PRO A 255 18.714 -84.368-114.179 1.00 60.66 C +ATOM 1717 C PRO A 255 19.391 -83.985-115.509 1.00 57.04 C +ATOM 1718 O PRO A 255 18.714 -83.571-116.461 1.00 54.97 O +ATOM 1719 CB PRO A 255 18.037 -85.736-114.213 1.00 61.30 C +ATOM 1720 CG PRO A 255 16.571 -85.412-114.460 1.00 58.04 C +ATOM 1721 CD PRO A 255 16.358 -84.059-113.815 1.00 59.44 C +ATOM 1722 N GLY A 256 20.713 -84.151-115.583 1.00 57.04 N +ATOM 1723 CA GLY A 256 21.518 -83.906-116.773 1.00 58.71 C +ATOM 1724 C GLY A 256 21.129 -84.841-117.932 1.00 55.19 C +ATOM 1725 O GLY A 256 20.843 -86.017-117.709 1.00 52.73 O +ATOM 1726 N LYS A 257 21.091 -84.340-119.186 1.00 53.99 N +ATOM 1727 CA LYS A 257 20.939 -85.141-120.414 1.00 60.79 C +ATOM 1728 C LYS A 257 22.285 -85.773-120.762 1.00 55.62 C +ATOM 1729 O LYS A 257 23.277 -85.047-120.821 1.00 52.65 O +ATOM 1730 CB LYS A 257 20.437 -84.271-121.574 1.00 59.00 C +ATOM 1731 CG LYS A 257 18.998 -83.811-121.406 1.00 53.80 C +ATOM 1732 CD LYS A 257 18.547 -83.024-122.652 1.00 51.22 C +ATOM 1733 CE LYS A 257 17.059 -82.611-122.553 1.00 48.66 C +ATOM 1734 NZ LYS A 257 16.613 -81.924-123.769 1.00 43.07 N +ATOM 1735 N TYR A 258 22.270 -87.115-121.057 1.00 63.67 N +ATOM 1736 CA TYR A 258 23.340 -87.854-121.721 1.00 66.11 C +ATOM 1737 C TYR A 258 23.227 -87.688-123.226 1.00 56.23 C +ATOM 1738 O TYR A 258 22.083 -87.584-123.729 1.00 49.66 O +ATOM 1739 CB TYR A 258 23.285 -89.337-121.323 1.00 59.95 C +ATOM 1740 CG TYR A 258 23.839 -89.652-119.943 1.00 52.89 C +ATOM 1741 CD1 TYR A 258 25.221 -89.873-119.786 1.00 48.50 C +ATOM 1742 CD2 TYR A 258 22.993 -89.735-118.816 1.00 47.37 C +ATOM 1743 CE1 TYR A 258 25.759 -90.176-118.530 1.00 43.44 C +ATOM 1744 CE2 TYR A 258 23.530 -90.021-117.545 1.00 52.39 C +ATOM 1745 CZ TYR A 258 24.910 -90.249-117.398 1.00 45.77 C +ATOM 1746 OH TYR A 258 25.421 -90.538-116.181 1.00 47.87 O +ATOM 1747 OXT TYR A 258 24.327 -87.679-123.840 1.00 45.80 O +TER 1748 TYR A 258 +END diff --git a/protein_pdb_485.txt b/protein_pdb_485.txt new file mode 100644 index 0000000000000000000000000000000000000000..1d79d34315b407eb12bc765ef052436536f4423d --- /dev/null +++ b/protein_pdb_485.txt @@ -0,0 +1,229 @@ +ATOM 1 N GLY A 1 -15.952 -30.211 31.922 1.00 95.40 N +ATOM 2 CA GLY A 1 -16.604 -29.646 30.740 1.00 96.30 C +ATOM 3 C GLY A 1 -15.636 -29.507 29.591 1.00 96.00 C +ATOM 4 O GLY A 1 -14.434 -29.727 29.757 1.00 94.88 O +ATOM 5 N PRO A 2 -16.119 -29.130 28.401 1.00 97.82 N +ATOM 6 CA PRO A 2 -15.250 -28.964 27.242 1.00 97.86 C +ATOM 7 C PRO A 2 -14.330 -27.757 27.401 1.00 98.04 C +ATOM 8 O PRO A 2 -14.626 -26.833 28.153 1.00 97.60 O +ATOM 9 CB PRO A 2 -16.218 -28.765 26.081 1.00 96.56 C +ATOM 10 CG PRO A 2 -17.435 -28.187 26.719 1.00 94.59 C +ATOM 11 CD PRO A 2 -17.508 -28.825 28.078 1.00 96.45 C +HETATM 12 N HYP A 3 -13.237 -27.784 26.767 1.00 96.89 N +HETATM 13 CA HYP A 3 -12.271 -26.674 26.710 1.00 97.05 C +HETATM 14 C HYP A 3 -12.877 -25.373 26.203 1.00 97.17 C +HETATM 15 O HYP A 3 -13.791 -25.393 25.357 1.00 96.47 O +HETATM 16 CB HYP A 3 -11.153 -27.170 25.783 1.00 96.58 C +HETATM 17 CG HYP A 3 -11.309 -28.644 25.736 1.00 95.78 C +HETATM 18 CD HYP A 3 -12.821 -28.874 25.897 1.00 96.64 C +HETATM 19 OD1 HYP A 3 -10.642 -29.291 26.786 1.00 95.45 O +ATOM 20 N GLY A 4 -12.372 -24.261 26.728 1.00 98.03 N +ATOM 21 CA GLY A 4 -12.843 -22.969 26.295 1.00 97.65 C +ATOM 22 C GLY A 4 -12.454 -22.683 24.859 1.00 97.66 C +ATOM 23 O GLY A 4 -11.554 -23.311 24.294 1.00 97.32 O +ATOM 24 N ARG A 5 -13.150 -21.704 24.275 1.00 98.15 N +ATOM 25 CA ARG A 5 -12.899 -21.299 22.895 1.00 98.08 C +ATOM 26 C ARG A 5 -11.571 -20.560 22.798 1.00 98.18 C +ATOM 27 O ARG A 5 -11.227 -19.778 23.671 1.00 97.94 O +ATOM 28 CB ARG A 5 -14.029 -20.401 22.416 1.00 96.82 C +ATOM 29 CG ARG A 5 -13.990 -20.067 20.947 1.00 92.20 C +ATOM 30 CD ARG A 5 -15.169 -19.186 20.559 1.00 88.99 C +ATOM 31 NE ARG A 5 -16.439 -19.853 20.799 1.00 84.83 N +ATOM 32 CZ ARG A 5 -16.994 -20.733 19.993 1.00 81.92 C +ATOM 33 NH1 ARG A 5 -16.403 -21.082 18.864 1.00 79.18 N +ATOM 34 NH2 ARG A 5 -18.160 -21.281 20.306 1.00 79.06 N +HETATM 35 N HYP A 6 -10.833 -20.801 21.753 1.00 96.98 N +HETATM 36 CA HYP A 6 -9.595 -20.056 21.527 1.00 97.21 C +HETATM 37 C HYP A 6 -9.802 -18.569 21.426 1.00 97.51 C +HETATM 38 O HYP A 6 -10.864 -18.128 20.979 1.00 95.95 O +HETATM 39 CB HYP A 6 -9.003 -20.667 20.181 1.00 96.94 C +HETATM 40 CG HYP A 6 -9.669 -22.019 20.050 1.00 95.90 C +HETATM 41 CD HYP A 6 -11.023 -21.830 20.697 1.00 96.47 C +HETATM 42 OD1 HYP A 6 -8.947 -23.002 20.721 1.00 95.05 O +ATOM 43 N GLY A 7 -8.802 -17.813 21.794 1.00 97.83 N +ATOM 44 CA GLY A 7 -8.889 -16.374 21.693 1.00 97.69 C +ATOM 45 C GLY A 7 -9.032 -15.924 20.257 1.00 97.67 C +ATOM 46 O GLY A 7 -8.697 -16.644 19.317 1.00 97.58 O +ATOM 47 N ARG A 8 -9.542 -14.670 20.097 1.00 97.66 N +ATOM 48 CA ARG A 8 -9.729 -14.114 18.763 1.00 97.23 C +ATOM 49 C ARG A 8 -8.393 -13.844 18.094 1.00 97.45 C +ATOM 50 O ARG A 8 -7.411 -13.497 18.755 1.00 97.03 O +ATOM 51 CB ARG A 8 -10.533 -12.822 18.823 1.00 95.74 C +ATOM 52 CG ARG A 8 -11.918 -12.982 19.398 1.00 90.61 C +ATOM 53 CD ARG A 8 -12.714 -11.697 19.234 1.00 87.21 C +ATOM 54 NE ARG A 8 -12.019 -10.555 19.825 1.00 81.94 N +ATOM 55 CZ ARG A 8 -12.049 -10.251 21.111 1.00 79.51 C +ATOM 56 NH1 ARG A 8 -12.725 -10.983 21.972 1.00 76.60 N +ATOM 57 NH2 ARG A 8 -11.377 -9.195 21.552 1.00 76.52 N +ATOM 58 N ARG A 9 -8.347 -13.970 16.769 1.00 96.77 N +ATOM 59 CA ARG A 9 -7.151 -13.647 16.006 1.00 96.96 C +ATOM 60 C ARG A 9 -6.902 -12.149 16.076 1.00 97.56 C +ATOM 61 O ARG A 9 -7.840 -11.356 16.063 1.00 96.97 O +ATOM 62 CB ARG A 9 -7.312 -14.093 14.552 1.00 94.84 C +ATOM 63 CG ARG A 9 -6.075 -13.859 13.702 1.00 87.33 C +ATOM 64 CD ARG A 9 -6.301 -14.309 12.278 1.00 84.14 C +ATOM 65 NE ARG A 9 -5.124 -14.071 11.440 1.00 78.30 N +ATOM 66 CZ ARG A 9 -5.072 -14.314 10.152 1.00 75.81 C +ATOM 67 NH1 ARG A 9 -6.123 -14.804 9.519 1.00 72.15 N +ATOM 68 NH2 ARG A 9 -3.960 -14.065 9.484 1.00 70.91 N +ATOM 69 N GLY A 10 -5.645 -11.777 16.162 1.00 97.33 N +ATOM 70 CA GLY A 10 -5.310 -10.369 16.193 1.00 96.98 C +ATOM 71 C GLY A 10 -5.666 -9.680 14.900 1.00 97.11 C +ATOM 72 O GLY A 10 -5.798 -10.312 13.853 1.00 97.27 O +ATOM 73 N ARG A 11 -5.824 -8.350 14.978 1.00 97.99 N +ATOM 74 CA ARG A 11 -6.147 -7.568 13.794 1.00 97.99 C +ATOM 75 C ARG A 11 -4.972 -7.518 12.856 1.00 98.28 C +ATOM 76 O ARG A 11 -3.822 -7.489 13.286 1.00 98.09 O +ATOM 77 CB ARG A 11 -6.536 -6.149 14.192 1.00 97.03 C +ATOM 78 CG ARG A 11 -7.917 -6.048 14.772 1.00 92.98 C +ATOM 79 CD ARG A 11 -8.273 -4.624 15.134 1.00 89.21 C +ATOM 80 NE ARG A 11 -8.385 -4.438 16.576 1.00 85.38 N +ATOM 81 CZ ARG A 11 -7.455 -3.901 17.346 1.00 83.01 C +ATOM 82 NH1 ARG A 11 -6.322 -3.464 16.820 1.00 80.22 N +ATOM 83 NH2 ARG A 11 -7.651 -3.789 18.646 1.00 80.37 N +HETATM 84 N HYP A 12 -5.242 -7.468 11.572 1.00 96.28 N +HETATM 85 CA HYP A 12 -4.206 -7.310 10.565 1.00 96.32 C +HETATM 86 C HYP A 12 -3.475 -5.999 10.739 1.00 96.42 C +HETATM 87 O HYP A 12 -4.077 -5.009 11.226 1.00 95.56 O +HETATM 88 CB HYP A 12 -4.976 -7.335 9.196 1.00 96.16 C +HETATM 89 CG HYP A 12 -6.246 -8.068 9.515 1.00 95.63 C +HETATM 90 CD HYP A 12 -6.538 -7.712 10.938 1.00 96.24 C +HETATM 91 OD1 HYP A 12 -6.083 -9.447 9.371 1.00 93.35 O +ATOM 92 N GLY A 13 -2.245 -5.928 10.323 1.00 97.61 N +ATOM 93 CA GLY A 13 -1.529 -4.678 10.346 1.00 97.11 C +ATOM 94 C GLY A 13 -2.170 -3.655 9.424 1.00 97.09 C +ATOM 95 O GLY A 13 -2.922 -4.002 8.507 1.00 97.00 O +ATOM 96 N LEU A 14 -1.849 -2.378 9.674 1.00 97.35 N +ATOM 97 CA LEU A 14 -2.386 -1.307 8.851 1.00 97.22 C +ATOM 98 C LEU A 14 -1.779 -1.347 7.452 1.00 97.14 C +ATOM 99 O LEU A 14 -0.629 -1.725 7.273 1.00 96.37 O +ATOM 100 CB LEU A 14 -2.105 0.050 9.484 1.00 96.34 C +ATOM 101 CG LEU A 14 -2.757 0.304 10.835 1.00 90.92 C +ATOM 102 CD1 LEU A 14 -2.300 1.638 11.388 1.00 87.35 C +ATOM 103 CD2 LEU A 14 -4.271 0.265 10.727 1.00 86.42 C +ATOM 104 N LYS A 15 -2.580 -0.937 6.452 1.00 97.10 N +ATOM 105 CA LYS A 15 -2.090 -0.868 5.084 1.00 97.02 C +ATOM 106 C LYS A 15 -1.027 0.215 4.979 1.00 96.79 C +ATOM 107 O LYS A 15 -1.137 1.272 5.596 1.00 95.78 O +ATOM 108 CB LYS A 15 -3.243 -0.581 4.126 1.00 95.57 C +ATOM 109 CG LYS A 15 -2.840 -0.580 2.664 1.00 90.87 C +ATOM 110 CD LYS A 15 -4.030 -0.353 1.763 1.00 86.59 C +ATOM 111 CE LYS A 15 -3.618 -0.346 0.307 1.00 79.69 C +ATOM 112 NZ LYS A 15 -4.768 -0.133 -0.580 1.00 75.29 N +ATOM 113 N GLY A 16 0.013 -0.087 4.204 1.00 96.47 N +ATOM 114 CA GLY A 16 1.073 0.885 4.022 1.00 95.70 C +ATOM 115 C GLY A 16 0.596 2.122 3.297 1.00 95.96 C +ATOM 116 O GLY A 16 -0.406 2.104 2.587 1.00 96.21 O +ATOM 117 N GLU A 17 1.336 3.217 3.487 1.00 96.09 N +ATOM 118 CA GLU A 17 1.007 4.469 2.812 1.00 96.47 C +ATOM 119 C GLU A 17 1.276 4.354 1.322 1.00 96.32 C +ATOM 120 O GLU A 17 2.100 3.555 0.876 1.00 94.94 O +ATOM 121 CB GLU A 17 1.821 5.619 3.390 1.00 94.20 C +ATOM 122 CG GLU A 17 1.495 5.936 4.841 1.00 85.63 C +ATOM 123 CD GLU A 17 2.332 7.078 5.350 1.00 79.01 C +ATOM 124 OE1 GLU A 17 3.563 7.011 5.233 1.00 74.35 O +ATOM 125 OE2 GLU A 17 1.751 8.044 5.872 1.00 75.61 O +ATOM 126 N GLN A 18 0.567 5.173 0.536 1.00 96.06 N +ATOM 127 CA GLN A 18 0.805 5.212 -0.899 1.00 96.37 C +ATOM 128 C GLN A 18 2.214 5.716 -1.166 1.00 96.37 C +ATOM 129 O GLN A 18 2.690 6.631 -0.498 1.00 95.01 O +ATOM 130 CB GLN A 18 -0.220 6.105 -1.586 1.00 94.76 C +ATOM 131 CG GLN A 18 -0.071 6.150 -3.095 1.00 91.02 C +ATOM 132 CD GLN A 18 -1.159 6.955 -3.764 1.00 85.87 C +ATOM 133 OE1 GLN A 18 -2.122 7.372 -3.131 1.00 83.31 O +ATOM 134 NE2 GLN A 18 -1.016 7.190 -5.061 1.00 81.04 N +ATOM 135 N GLY A 19 2.874 5.110 -2.144 1.00 96.27 N +ATOM 136 CA GLY A 19 4.227 5.494 -2.482 1.00 95.47 C +ATOM 137 C GLY A 19 4.306 6.883 -3.094 1.00 95.83 C +ATOM 138 O GLY A 19 3.289 7.464 -3.476 1.00 96.84 O +ATOM 139 N PRO A 20 5.532 7.438 -3.206 1.00 97.23 N +ATOM 140 CA PRO A 20 5.719 8.764 -3.784 1.00 97.18 C +ATOM 141 C PRO A 20 5.456 8.764 -5.278 1.00 97.30 C +ATOM 142 O PRO A 20 5.472 7.719 -5.919 1.00 96.78 O +ATOM 143 CB PRO A 20 7.178 9.085 -3.480 1.00 95.81 C +ATOM 144 CG PRO A 20 7.830 7.755 -3.411 1.00 94.42 C +ATOM 145 CD PRO A 20 6.802 6.838 -2.794 1.00 96.45 C +HETATM 146 N HYP A 21 5.229 9.938 -5.844 1.00 96.25 N +HETATM 147 CA HYP A 21 5.066 10.121 -7.260 1.00 96.19 C +HETATM 148 C HYP A 21 6.235 9.617 -8.084 1.00 96.39 C +HETATM 149 O HYP A 21 7.390 9.691 -7.605 1.00 95.85 O +HETATM 150 CB HYP A 21 4.873 11.632 -7.395 1.00 95.93 C +HETATM 151 CG HYP A 21 4.305 12.049 -6.052 1.00 94.39 C +HETATM 152 CD HYP A 21 4.992 11.165 -5.086 1.00 95.74 C +HETATM 153 OD1 HYP A 21 2.921 11.867 -5.960 1.00 93.83 O +ATOM 154 N GLY A 22 5.985 9.065 -9.226 1.00 97.54 N +ATOM 155 CA GLY A 22 7.031 8.570 -10.077 1.00 97.29 C +ATOM 156 C GLY A 22 7.914 9.689 -10.605 1.00 97.52 C +ATOM 157 O GLY A 22 7.613 10.871 -10.440 1.00 97.74 O +ATOM 158 N PRO A 23 9.034 9.320 -11.269 1.00 97.70 N +ATOM 159 CA PRO A 23 9.957 10.319 -11.803 1.00 97.66 C +ATOM 160 C PRO A 23 9.348 11.066 -12.981 1.00 97.84 C +ATOM 161 O PRO A 23 8.422 10.587 -13.620 1.00 97.42 O +ATOM 162 CB PRO A 23 11.157 9.486 -12.235 1.00 96.47 C +ATOM 163 CG PRO A 23 10.576 8.153 -12.532 1.00 94.57 C +ATOM 164 CD PRO A 23 9.477 7.964 -11.532 1.00 96.88 C +HETATM 165 N HYP A 24 9.883 12.225 -13.272 1.00 97.39 N +HETATM 166 CA HYP A 24 9.480 13.032 -14.418 1.00 96.76 C +HETATM 167 C HYP A 24 9.696 12.301 -15.754 1.00 97.27 C +HETATM 168 O HYP A 24 10.634 11.508 -15.866 1.00 96.98 O +HETATM 169 CB HYP A 24 10.428 14.245 -14.332 1.00 95.85 C +HETATM 170 CG HYP A 24 10.850 14.347 -12.894 1.00 95.76 C +HETATM 171 CD HYP A 24 10.884 12.899 -12.435 1.00 96.67 C +HETATM 172 OD1 HYP A 24 9.933 15.050 -12.111 1.00 93.84 O +ATOM 173 N GLY A 25 8.860 12.568 -16.702 1.00 97.43 N +ATOM 174 CA GLY A 25 9.008 11.974 -18.004 1.00 97.28 C +ATOM 175 C GLY A 25 10.256 12.484 -18.710 1.00 97.32 C +ATOM 176 O GLY A 25 10.887 13.443 -18.272 1.00 97.47 O +ATOM 177 N PRO A 26 10.627 11.853 -19.836 1.00 97.24 N +ATOM 178 CA PRO A 26 11.823 12.256 -20.573 1.00 97.09 C +ATOM 179 C PRO A 26 11.626 13.609 -21.250 1.00 97.24 C +ATOM 180 O PRO A 26 10.504 14.013 -21.528 1.00 96.75 O +ATOM 181 CB PRO A 26 12.001 11.134 -21.595 1.00 95.60 C +ATOM 182 CG PRO A 26 10.627 10.610 -21.794 1.00 93.57 C +ATOM 183 CD PRO A 26 9.958 10.712 -20.451 1.00 96.21 C +HETATM 184 N HYP A 27 12.729 14.279 -21.533 1.00 96.47 N +HETATM 185 CA HYP A 27 12.690 15.569 -22.235 1.00 95.08 C +HETATM 186 C HYP A 27 12.155 15.428 -23.652 1.00 96.48 C +HETATM 187 O HYP A 27 12.341 14.394 -24.306 1.00 95.78 O +HETATM 188 CB HYP A 27 14.228 15.935 -22.324 1.00 95.12 C +HETATM 189 CG HYP A 27 14.919 15.198 -21.194 1.00 94.20 C +HETATM 190 CD HYP A 27 14.104 13.916 -21.085 1.00 95.37 C +HETATM 191 OD1 HYP A 27 14.836 15.915 -19.994 1.00 92.91 O +ATOM 192 N GLY A 28 11.490 16.458 -24.126 1.00 96.31 N +ATOM 193 CA GLY A 28 11.015 16.472 -25.483 1.00 96.05 C +ATOM 194 C GLY A 28 12.168 16.556 -26.471 1.00 96.40 C +ATOM 195 O GLY A 28 13.304 16.835 -26.098 1.00 96.74 O +ATOM 196 N PRO A 29 11.895 16.337 -27.770 1.00 96.83 N +ATOM 197 CA PRO A 29 12.941 16.397 -28.786 1.00 96.67 C +ATOM 198 C PRO A 29 13.426 17.823 -28.991 1.00 96.70 C +ATOM 199 O PRO A 29 12.696 18.782 -28.732 1.00 95.66 O +ATOM 200 CB PRO A 29 12.259 15.844 -30.032 1.00 94.74 C +ATOM 201 CG PRO A 29 10.814 16.136 -29.815 1.00 92.60 C +ATOM 202 CD PRO A 29 10.595 15.996 -28.341 1.00 95.48 C +HETATM 203 N HYP A 30 14.678 17.974 -29.509 1.00 93.08 N +HETATM 204 CA HYP A 30 15.229 19.297 -29.755 1.00 93.47 C +HETATM 205 C HYP A 30 14.466 20.025 -30.853 1.00 92.77 C +HETATM 206 O HYP A 30 14.070 19.423 -31.864 1.00 91.71 O +HETATM 207 CB HYP A 30 16.686 18.992 -30.301 1.00 91.54 C +HETATM 208 CG HYP A 30 17.032 17.611 -29.779 1.00 91.01 C +HETATM 209 CD HYP A 30 15.681 16.899 -29.710 1.00 93.03 C +HETATM 210 OD1 HYP A 30 17.566 17.690 -28.484 1.00 88.52 O +ATOM 211 N GLY A 31 14.227 21.351 -30.647 1.00 93.12 N +ATOM 212 CA GLY A 31 13.530 22.152 -31.625 1.00 91.06 C +ATOM 213 C GLY A 31 14.471 22.721 -32.667 1.00 89.13 C +ATOM 214 O GLY A 31 15.689 22.569 -32.579 1.00 86.00 O +ATOM 215 N TYR A 32 13.889 23.394 -33.634 1.00 89.55 N +ATOM 216 CA TYR A 32 14.640 24.104 -34.658 1.00 86.83 C +ATOM 217 C TYR A 32 14.655 25.605 -34.340 1.00 80.23 C +ATOM 218 O TYR A 32 13.840 26.068 -33.538 1.00 74.29 O +ATOM 219 CB TYR A 32 14.017 23.887 -36.035 1.00 80.71 C +ATOM 220 CG TYR A 32 14.328 22.550 -36.662 1.00 75.98 C +ATOM 221 CD1 TYR A 32 15.544 22.330 -37.298 1.00 75.69 C +ATOM 222 CD2 TYR A 32 13.401 21.518 -36.641 1.00 71.33 C +ATOM 223 CE1 TYR A 32 15.826 21.105 -37.885 1.00 69.50 C +ATOM 224 CE2 TYR A 32 13.682 20.296 -37.226 1.00 72.35 C +ATOM 225 CZ TYR A 32 14.885 20.097 -37.844 1.00 67.05 C +ATOM 226 OH TYR A 32 15.168 18.894 -38.427 1.00 69.36 O +ATOM 227 OXT TYR A 32 15.463 26.326 -34.900 1.00 65.35 O +TER 228 TYR A 32 +END diff --git a/protein_pdb_486.txt b/protein_pdb_486.txt new file mode 100644 index 0000000000000000000000000000000000000000..6dad3e5833ece28ae3a0bc50be50af0399f512bb --- /dev/null +++ b/protein_pdb_486.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -0.446 -16.125 -3.657 1.00 92.24 N +ATOM 2 CA GLY A 1 -0.374 -15.139 -4.681 1.00 92.90 C +ATOM 3 C GLY A 1 0.695 -14.089 -4.442 1.00 94.10 C +ATOM 4 O GLY A 1 1.315 -14.048 -3.383 1.00 92.89 O +ATOM 5 N PRO A 2 0.890 -13.265 -5.399 1.00 92.01 N +ATOM 6 CA PRO A 2 1.903 -12.229 -5.303 1.00 92.57 C +ATOM 7 C PRO A 2 1.459 -11.064 -4.438 1.00 92.61 C +ATOM 8 O PRO A 2 0.286 -10.944 -4.086 1.00 90.71 O +ATOM 9 CB PRO A 2 2.075 -11.796 -6.757 1.00 90.24 C +ATOM 10 CG PRO A 2 0.727 -12.013 -7.347 1.00 87.98 C +ATOM 11 CD PRO A 2 0.182 -13.242 -6.673 1.00 89.85 C +HETATM 12 N HYP A 3 2.413 -10.218 -4.117 1.00 93.17 N +HETATM 13 CA HYP A 3 2.094 -9.023 -3.349 1.00 90.15 C +HETATM 14 C HYP A 3 1.144 -8.130 -4.092 1.00 92.77 C +HETATM 15 O HYP A 3 1.140 -8.115 -5.339 1.00 93.32 O +HETATM 16 CB HYP A 3 3.487 -8.315 -3.234 1.00 88.42 C +HETATM 17 CG HYP A 3 4.476 -9.455 -3.323 1.00 85.55 C +HETATM 18 CD HYP A 3 3.827 -10.396 -4.360 1.00 90.45 C +HETATM 19 OD1 HYP A 3 4.559 -10.090 -2.083 1.00 88.16 O +ATOM 20 N GLY A 4 0.295 -7.476 -3.362 1.00 93.74 N +ATOM 21 CA GLY A 4 -0.628 -6.537 -3.946 1.00 93.05 C +ATOM 22 C GLY A 4 0.090 -5.316 -4.481 1.00 93.62 C +ATOM 23 O GLY A 4 1.286 -5.126 -4.264 1.00 93.71 O +ATOM 24 N PRO A 5 -0.636 -4.472 -5.193 1.00 92.51 N +ATOM 25 CA PRO A 5 -0.043 -3.268 -5.753 1.00 92.37 C +ATOM 26 C PRO A 5 0.299 -2.253 -4.677 1.00 92.10 C +ATOM 27 O PRO A 5 -0.230 -2.297 -3.570 1.00 90.64 O +ATOM 28 CB PRO A 5 -1.129 -2.740 -6.687 1.00 91.32 C +ATOM 29 CG PRO A 5 -2.391 -3.238 -6.082 1.00 90.25 C +ATOM 30 CD PRO A 5 -2.061 -4.575 -5.493 1.00 92.30 C +HETATM 31 N HYP A 6 1.226 -1.324 -5.023 1.00 93.17 N +HETATM 32 CA HYP A 6 1.525 -0.252 -4.121 1.00 92.05 C +HETATM 33 C HYP A 6 0.313 0.588 -3.815 1.00 92.19 C +HETATM 34 O HYP A 6 -0.604 0.696 -4.648 1.00 93.50 O +HETATM 35 CB HYP A 6 2.561 0.587 -4.943 1.00 88.42 C +HETATM 36 CG HYP A 6 3.212 -0.437 -5.848 1.00 88.34 C +HETATM 37 CD HYP A 6 2.044 -1.325 -6.223 1.00 91.75 C +HETATM 38 OD1 HYP A 6 4.146 -1.179 -5.096 1.00 88.40 O +ATOM 39 N GLY A 7 0.254 1.071 -2.620 1.00 93.51 N +ATOM 40 CA GLY A 7 -0.815 1.942 -2.219 1.00 93.16 C +ATOM 41 C GLY A 7 -0.810 3.231 -3.009 1.00 93.70 C +ATOM 42 O GLY A 7 0.128 3.534 -3.737 1.00 93.76 O +ATOM 43 N PRO A 8 -1.876 3.989 -2.875 1.00 92.90 N +ATOM 44 CA PRO A 8 -1.969 5.240 -3.614 1.00 93.06 C +ATOM 45 C PRO A 8 -1.006 6.279 -3.072 1.00 93.11 C +ATOM 46 O PRO A 8 -0.590 6.235 -1.919 1.00 91.29 O +ATOM 47 CB PRO A 8 -3.420 5.661 -3.408 1.00 91.18 C +ATOM 48 CG PRO A 8 -3.801 5.041 -2.127 1.00 89.73 C +ATOM 49 CD PRO A 8 -3.046 3.748 -2.043 1.00 91.77 C +HETATM 50 N HYP A 9 -0.666 7.240 -3.923 1.00 92.18 N +HETATM 51 CA HYP A 9 0.173 8.307 -3.514 1.00 91.09 C +HETATM 52 C HYP A 9 -0.491 9.164 -2.479 1.00 92.89 C +HETATM 53 O HYP A 9 -1.708 9.293 -2.437 1.00 92.24 O +HETATM 54 CB HYP A 9 0.365 9.149 -4.816 1.00 87.95 C +HETATM 55 CG HYP A 9 0.052 8.227 -5.920 1.00 87.66 C +HETATM 56 CD HYP A 9 -0.986 7.310 -5.367 1.00 91.34 C +HETATM 57 OD1 HYP A 9 1.203 7.464 -6.212 1.00 87.60 O +ATOM 58 N GLY A 10 0.244 9.751 -1.604 1.00 91.58 N +ATOM 59 CA GLY A 10 -0.260 10.825 -0.784 1.00 89.65 C +ATOM 60 C GLY A 10 -0.500 12.054 -1.643 1.00 89.84 C +ATOM 61 O GLY A 10 -0.285 12.045 -2.855 1.00 88.48 O +ATOM 62 N VAL A 11 -0.941 13.128 -1.015 1.00 91.46 N +ATOM 63 CA VAL A 11 -1.204 14.352 -1.771 1.00 92.58 C +ATOM 64 C VAL A 11 0.017 14.744 -2.596 1.00 92.54 C +ATOM 65 O VAL A 11 -0.096 15.051 -3.786 1.00 90.81 O +ATOM 66 CB VAL A 11 -1.645 15.485 -0.825 1.00 90.88 C +ATOM 67 CG1 VAL A 11 -1.782 16.789 -1.577 1.00 84.85 C +ATOM 68 CG2 VAL A 11 -2.958 15.118 -0.160 1.00 84.54 C +ATOM 69 N ASN A 12 1.179 14.705 -1.966 1.00 91.97 N +ATOM 70 CA ASN A 12 2.451 14.934 -2.648 1.00 93.08 C +ATOM 71 C ASN A 12 3.442 13.837 -2.297 1.00 93.25 C +ATOM 72 O ASN A 12 4.649 14.059 -2.360 1.00 89.38 O +ATOM 73 CB ASN A 12 3.024 16.306 -2.266 1.00 90.81 C +ATOM 74 CG ASN A 12 2.128 17.447 -2.690 1.00 85.79 C +ATOM 75 OD1 ASN A 12 1.451 18.050 -1.867 1.00 84.58 O +ATOM 76 ND2 ASN A 12 2.126 17.749 -3.971 1.00 79.97 N +ATOM 77 N GLY A 13 2.942 12.698 -1.919 1.00 94.02 N +ATOM 78 CA GLY A 13 3.769 11.669 -1.317 1.00 93.30 C +ATOM 79 C GLY A 13 3.935 10.433 -2.161 1.00 94.11 C +ATOM 80 O GLY A 13 3.318 10.290 -3.217 1.00 93.79 O +ATOM 81 N PRO A 14 4.767 9.535 -1.691 1.00 94.43 N +ATOM 82 CA PRO A 14 5.045 8.311 -2.423 1.00 93.97 C +ATOM 83 C PRO A 14 3.903 7.317 -2.316 1.00 93.92 C +ATOM 84 O PRO A 14 3.037 7.423 -1.454 1.00 92.52 O +ATOM 85 CB PRO A 14 6.295 7.771 -1.736 1.00 92.49 C +ATOM 86 CG PRO A 14 6.152 8.231 -0.328 1.00 91.51 C +ATOM 87 CD PRO A 14 5.499 9.591 -0.418 1.00 93.13 C +HETATM 88 N HYP A 15 3.954 6.356 -3.186 1.00 93.58 N +HETATM 89 CA HYP A 15 3.025 5.247 -3.106 1.00 92.55 C +HETATM 90 C HYP A 15 3.200 4.479 -1.837 1.00 94.75 C +HETATM 91 O HYP A 15 4.303 4.435 -1.262 1.00 93.36 O +HETATM 92 CB HYP A 15 3.474 4.402 -4.335 1.00 90.91 C +HETATM 93 CG HYP A 15 4.102 5.395 -5.291 1.00 89.11 C +HETATM 94 CD HYP A 15 4.826 6.334 -4.368 1.00 92.62 C +HETATM 95 OD1 HYP A 15 3.108 6.090 -5.998 1.00 89.20 O +ATOM 96 N GLY A 16 2.144 3.919 -1.369 1.00 94.34 N +ATOM 97 CA GLY A 16 2.230 3.045 -0.232 1.00 93.89 C +ATOM 98 C GLY A 16 2.967 1.769 -0.573 1.00 94.53 C +ATOM 99 O GLY A 16 3.290 1.510 -1.738 1.00 94.12 O +ATOM 100 N PRO A 17 3.238 0.968 0.444 1.00 92.42 N +ATOM 101 CA PRO A 17 3.942 -0.282 0.211 1.00 92.26 C +ATOM 102 C PRO A 17 3.059 -1.288 -0.516 1.00 92.62 C +ATOM 103 O PRO A 17 1.840 -1.158 -0.545 1.00 91.04 O +ATOM 104 CB PRO A 17 4.292 -0.756 1.617 1.00 90.81 C +ATOM 105 CG PRO A 17 3.247 -0.137 2.476 1.00 89.41 C +ATOM 106 CD PRO A 17 2.907 1.180 1.850 1.00 91.13 C +HETATM 107 N HYP A 18 3.725 -2.292 -1.104 1.00 89.55 N +HETATM 108 CA HYP A 18 2.983 -3.362 -1.709 1.00 84.77 C +HETATM 109 C HYP A 18 2.096 -4.067 -0.732 1.00 91.05 C +HETATM 110 O HYP A 18 2.411 -4.133 0.474 1.00 91.37 O +HETATM 111 CB HYP A 18 4.122 -4.310 -2.181 1.00 85.05 C +HETATM 112 CG HYP A 18 5.294 -3.400 -2.421 1.00 83.78 C +HETATM 113 CD HYP A 18 5.170 -2.405 -1.287 1.00 89.72 C +HETATM 114 OD1 HYP A 18 5.136 -2.741 -3.661 1.00 86.57 O +ATOM 115 N GLY A 19 0.978 -4.499 -1.188 1.00 89.72 N +ATOM 116 CA GLY A 19 0.088 -5.269 -0.364 1.00 89.06 C +ATOM 117 C GLY A 19 0.698 -6.596 0.026 1.00 89.92 C +ATOM 118 O GLY A 19 1.747 -6.994 -0.493 1.00 90.50 O +ATOM 119 N PRO A 20 0.045 -7.292 0.937 1.00 86.71 N +ATOM 120 CA PRO A 20 0.552 -8.584 1.368 1.00 87.38 C +ATOM 121 C PRO A 20 0.394 -9.630 0.280 1.00 87.11 C +ATOM 122 O PRO A 20 -0.377 -9.453 -0.657 1.00 87.04 O +ATOM 123 CB PRO A 20 -0.313 -8.908 2.584 1.00 85.69 C +ATOM 124 CG PRO A 20 -1.591 -8.192 2.309 1.00 84.64 C +ATOM 125 CD PRO A 20 -1.204 -6.933 1.580 1.00 85.98 C +HETATM 126 N HYP A 21 1.171 -10.708 0.434 1.00 88.56 N +HETATM 127 CA HYP A 21 1.009 -11.805 -0.481 1.00 87.69 C +HETATM 128 C HYP A 21 -0.401 -12.339 -0.498 1.00 89.59 C +HETATM 129 O HYP A 21 -1.055 -12.347 0.532 1.00 90.54 O +HETATM 130 CB HYP A 21 2.000 -12.858 0.007 1.00 86.04 C +HETATM 131 CG HYP A 21 3.055 -12.069 0.733 1.00 83.20 C +HETATM 132 CD HYP A 21 2.280 -10.952 1.389 1.00 88.99 C +HETATM 133 OD1 HYP A 21 3.974 -11.506 -0.200 1.00 84.42 O +ATOM 134 N GLY A 22 -0.887 -12.663 -1.665 1.00 90.14 N +ATOM 135 CA GLY A 22 -2.190 -13.250 -1.797 1.00 87.88 C +ATOM 136 C GLY A 22 -2.225 -14.636 -1.186 1.00 88.10 C +ATOM 137 O GLY A 22 -1.191 -15.185 -0.800 1.00 88.26 O +ATOM 138 N PRO A 23 -3.404 -15.242 -1.099 1.00 91.23 N +ATOM 139 CA PRO A 23 -3.515 -16.592 -0.561 1.00 91.18 C +ATOM 140 C PRO A 23 -2.869 -17.578 -1.517 1.00 90.44 C +ATOM 141 O PRO A 23 -3.399 -17.807 -2.603 1.00 87.42 O +ATOM 142 CB PRO A 23 -5.015 -16.831 -0.452 1.00 88.69 C +ATOM 143 CG PRO A 23 -5.661 -15.548 -0.800 1.00 86.75 C +ATOM 144 CD PRO A 23 -4.673 -14.704 -1.528 1.00 88.94 C +HETATM 145 N HYP A 24 -1.731 -17.994 -1.325 1.00 94.69 N +HETATM 146 CA HYP A 24 -0.742 -18.537 -2.370 1.00 90.81 C +HETATM 147 C HYP A 24 -0.283 -17.716 -3.374 1.00 93.66 C +HETATM 148 O HYP A 24 -0.449 -18.116 -4.641 1.00 92.39 O +HETATM 149 CB HYP A 24 -0.003 -19.558 -1.636 1.00 88.85 C +HETATM 150 CG HYP A 24 -1.003 -20.066 -0.567 1.00 87.70 C +HETATM 151 CD HYP A 24 -1.948 -18.858 -0.288 1.00 91.24 C +HETATM 152 OD1 HYP A 24 -0.361 -20.458 0.611 1.00 88.82 O +HETATM 153 OXT HYP A 24 1.056 -17.289 -3.277 1.00 87.74 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_487.txt b/protein_pdb_487.txt new file mode 100644 index 0000000000000000000000000000000000000000..6765b89adc65a26e9f72e40476ebeb2b3c58115a --- /dev/null +++ b/protein_pdb_487.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 5.908 4.561 -14.216 1.00 93.13 N +ATOM 2 CA GLY A 1 5.931 5.256 -12.976 1.00 93.64 C +ATOM 3 C GLY A 1 6.478 4.446 -11.816 1.00 94.44 C +ATOM 4 O GLY A 1 6.604 3.231 -11.905 1.00 93.18 O +ATOM 5 N PRO A 2 6.775 5.105 -10.768 1.00 93.03 N +ATOM 6 CA PRO A 2 7.297 4.436 -9.582 1.00 93.68 C +ATOM 7 C PRO A 2 6.193 3.690 -8.843 1.00 93.83 C +ATOM 8 O PRO A 2 5.016 3.853 -9.129 1.00 92.72 O +ATOM 9 CB PRO A 2 7.839 5.599 -8.757 1.00 91.37 C +ATOM 10 CG PRO A 2 6.931 6.722 -9.120 1.00 87.71 C +ATOM 11 CD PRO A 2 6.682 6.546 -10.594 1.00 90.37 C +HETATM 12 N HYP A 3 6.616 2.863 -7.908 1.00 93.46 N +HETATM 13 CA HYP A 3 5.642 2.184 -7.095 1.00 90.59 C +HETATM 14 C HYP A 3 4.772 3.137 -6.348 1.00 93.68 C +HETATM 15 O HYP A 3 5.240 4.242 -5.980 1.00 94.69 O +HETATM 16 CB HYP A 3 6.499 1.345 -6.121 1.00 91.05 C +HETATM 17 CG HYP A 3 7.733 1.041 -6.918 1.00 88.07 C +HETATM 18 CD HYP A 3 7.940 2.369 -7.691 1.00 91.13 C +HETATM 19 OD1 HYP A 3 7.431 0.015 -7.808 1.00 91.01 O +ATOM 20 N GLY A 4 3.531 2.770 -6.199 1.00 95.12 N +ATOM 21 CA GLY A 4 2.606 3.602 -5.490 1.00 94.98 C +ATOM 22 C GLY A 4 2.973 3.683 -4.022 1.00 95.42 C +ATOM 23 O GLY A 4 3.845 2.953 -3.544 1.00 95.62 O +ATOM 24 N PRO A 5 2.319 4.572 -3.286 1.00 94.61 N +ATOM 25 CA PRO A 5 2.607 4.719 -1.867 1.00 94.56 C +ATOM 26 C PRO A 5 2.085 3.522 -1.081 1.00 94.81 C +ATOM 27 O PRO A 5 1.270 2.749 -1.567 1.00 93.82 O +ATOM 28 CB PRO A 5 1.877 5.998 -1.491 1.00 93.12 C +ATOM 29 CG PRO A 5 0.727 6.030 -2.436 1.00 91.37 C +ATOM 30 CD PRO A 5 1.278 5.495 -3.728 1.00 93.57 C +HETATM 31 N HYP A 6 2.601 3.382 0.145 1.00 94.16 N +HETATM 32 CA HYP A 6 2.090 2.346 0.994 1.00 94.99 C +HETATM 33 C HYP A 6 0.640 2.479 1.270 1.00 94.67 C +HETATM 34 O HYP A 6 0.099 3.622 1.327 1.00 94.61 O +HETATM 35 CB HYP A 6 2.918 2.547 2.295 1.00 92.85 C +HETATM 36 CG HYP A 6 4.179 3.186 1.813 1.00 91.88 C +HETATM 37 CD HYP A 6 3.673 4.092 0.733 1.00 92.83 C +HETATM 38 OD1 HYP A 6 5.025 2.208 1.283 1.00 90.97 O +ATOM 39 N GLY A 7 -0.019 1.359 1.359 1.00 95.42 N +ATOM 40 CA GLY A 7 -1.418 1.362 1.646 1.00 95.19 C +ATOM 41 C GLY A 7 -1.669 1.870 3.047 1.00 95.74 C +ATOM 42 O GLY A 7 -0.738 2.056 3.834 1.00 95.57 O +ATOM 43 N PRO A 8 -2.911 2.116 3.381 1.00 95.80 N +ATOM 44 CA PRO A 8 -3.235 2.583 4.720 1.00 95.89 C +ATOM 45 C PRO A 8 -3.061 1.462 5.732 1.00 96.01 C +ATOM 46 O PRO A 8 -2.959 0.289 5.375 1.00 95.17 O +ATOM 47 CB PRO A 8 -4.696 2.999 4.604 1.00 94.73 C +ATOM 48 CG PRO A 8 -5.224 2.099 3.546 1.00 93.25 C +ATOM 49 CD PRO A 8 -4.095 1.969 2.548 1.00 95.11 C +HETATM 50 N HYP A 9 -3.001 1.838 7.008 1.00 94.55 N +HETATM 51 CA HYP A 9 -2.932 0.849 8.028 1.00 94.25 C +HETATM 52 C HYP A 9 -4.097 -0.066 7.993 1.00 94.85 C +HETATM 53 O HYP A 9 -5.210 0.333 7.655 1.00 94.97 O +HETATM 54 CB HYP A 9 -2.942 1.675 9.331 1.00 91.68 C +HETATM 55 CG HYP A 9 -2.366 2.959 8.954 1.00 91.24 C +HETATM 56 CD HYP A 9 -2.871 3.184 7.563 1.00 93.77 C +HETATM 57 OD1 HYP A 9 -0.961 2.846 8.923 1.00 91.08 O +ATOM 58 N GLY A 10 -3.915 -1.332 8.302 1.00 95.36 N +ATOM 59 CA GLY A 10 -5.016 -2.237 8.489 1.00 93.97 C +ATOM 60 C GLY A 10 -5.820 -1.748 9.677 1.00 94.30 C +ATOM 61 O GLY A 10 -5.487 -0.742 10.295 1.00 93.47 O +ATOM 62 N GLN A 11 -6.864 -2.469 10.019 1.00 95.10 N +ATOM 63 CA GLN A 11 -7.701 -2.048 11.129 1.00 95.13 C +ATOM 64 C GLN A 11 -6.852 -1.710 12.357 1.00 95.24 C +ATOM 65 O GLN A 11 -7.062 -0.690 13.006 1.00 93.44 O +ATOM 66 CB GLN A 11 -8.713 -3.144 11.451 1.00 93.46 C +ATOM 67 CG GLN A 11 -9.722 -2.711 12.489 1.00 89.13 C +ATOM 68 CD GLN A 11 -10.809 -3.742 12.676 1.00 84.80 C +ATOM 69 OE1 GLN A 11 -10.864 -4.757 11.986 1.00 79.52 O +ATOM 70 NE2 GLN A 11 -11.704 -3.484 13.624 1.00 77.31 N +ATOM 71 N TYR A 12 -5.877 -2.559 12.641 1.00 94.62 N +ATOM 72 CA TYR A 12 -4.922 -2.317 13.720 1.00 95.07 C +ATOM 73 C TYR A 12 -3.549 -2.831 13.324 1.00 94.82 C +ATOM 74 O TYR A 12 -2.737 -3.209 14.165 1.00 92.88 O +ATOM 75 CB TYR A 12 -5.388 -3.001 15.017 1.00 94.58 C +ATOM 76 CG TYR A 12 -6.713 -2.465 15.498 1.00 91.52 C +ATOM 77 CD1 TYR A 12 -6.792 -1.208 16.071 1.00 89.48 C +ATOM 78 CD2 TYR A 12 -7.878 -3.202 15.351 1.00 88.00 C +ATOM 79 CE1 TYR A 12 -8.012 -0.685 16.479 1.00 87.68 C +ATOM 80 CE2 TYR A 12 -9.101 -2.689 15.755 1.00 87.27 C +ATOM 81 CZ TYR A 12 -9.163 -1.427 16.316 1.00 87.71 C +ATOM 82 OH TYR A 12 -10.370 -0.907 16.712 1.00 86.32 O +ATOM 83 N GLY A 13 -3.280 -2.846 12.033 1.00 96.19 N +ATOM 84 CA GLY A 13 -2.056 -3.408 11.505 1.00 95.68 C +ATOM 85 C GLY A 13 -1.177 -2.401 10.808 1.00 96.10 C +ATOM 86 O GLY A 13 -1.491 -1.212 10.754 1.00 95.70 O +ATOM 87 N PRO A 14 -0.059 -2.866 10.276 1.00 96.10 N +ATOM 88 CA PRO A 14 0.886 -1.993 9.603 1.00 96.07 C +ATOM 89 C PRO A 14 0.339 -1.503 8.275 1.00 96.12 C +ATOM 90 O PRO A 14 -0.662 -2.001 7.777 1.00 95.50 O +ATOM 91 CB PRO A 14 2.107 -2.892 9.395 1.00 94.95 C +ATOM 92 CG PRO A 14 1.519 -4.248 9.263 1.00 93.67 C +ATOM 93 CD PRO A 14 0.371 -4.263 10.239 1.00 95.12 C +HETATM 94 N HYP A 15 1.030 -0.505 7.735 1.00 95.95 N +HETATM 95 CA HYP A 15 0.680 -0.059 6.422 1.00 95.58 C +HETATM 96 C HYP A 15 0.724 -1.132 5.400 1.00 96.89 C +HETATM 97 O HYP A 15 1.530 -2.079 5.533 1.00 95.66 O +HETATM 98 CB HYP A 15 1.714 1.051 6.164 1.00 93.77 C +HETATM 99 CG HYP A 15 2.043 1.555 7.555 1.00 92.06 C +HETATM 100 CD HYP A 15 2.028 0.283 8.380 1.00 94.12 C +HETATM 101 OD1 HYP A 15 1.043 2.433 7.976 1.00 91.67 O +ATOM 102 N GLY A 16 -0.130 -1.042 4.405 1.00 96.24 N +ATOM 103 CA GLY A 16 -0.147 -1.997 3.338 1.00 95.77 C +ATOM 104 C GLY A 16 1.107 -1.877 2.500 1.00 95.94 C +ATOM 105 O GLY A 16 1.890 -0.940 2.651 1.00 95.56 O +ATOM 106 N PRO A 17 1.315 -2.834 1.598 1.00 95.03 N +ATOM 107 CA PRO A 17 2.490 -2.802 0.747 1.00 94.77 C +ATOM 108 C PRO A 17 2.402 -1.686 -0.275 1.00 94.91 C +ATOM 109 O PRO A 17 1.333 -1.134 -0.523 1.00 94.10 O +ATOM 110 CB PRO A 17 2.484 -4.180 0.089 1.00 93.28 C +ATOM 111 CG PRO A 17 1.038 -4.533 0.040 1.00 91.62 C +ATOM 112 CD PRO A 17 0.466 -3.997 1.323 1.00 93.62 C +HETATM 113 N HYP A 18 3.553 -1.343 -0.857 1.00 92.48 N +HETATM 114 CA HYP A 18 3.558 -0.399 -1.908 1.00 93.27 C +HETATM 115 C HYP A 18 2.707 -0.790 -3.064 1.00 93.57 C +HETATM 116 O HYP A 18 2.543 -2.008 -3.356 1.00 93.79 O +HETATM 117 CB HYP A 18 5.037 -0.350 -2.323 1.00 90.71 C +HETATM 118 CG HYP A 18 5.781 -0.789 -1.098 1.00 91.09 C +HETATM 119 CD HYP A 18 4.841 -1.825 -0.508 1.00 93.05 C +HETATM 120 OD1 HYP A 18 5.894 0.305 -0.197 1.00 89.05 O +ATOM 121 N GLY A 19 2.139 0.167 -3.725 1.00 93.73 N +ATOM 122 CA GLY A 19 1.349 -0.089 -4.894 1.00 93.78 C +ATOM 123 C GLY A 19 2.228 -0.531 -6.045 1.00 94.24 C +ATOM 124 O GLY A 19 3.456 -0.451 -5.974 1.00 94.44 O +ATOM 125 N PRO A 20 1.623 -1.002 -7.116 1.00 92.51 N +ATOM 126 CA PRO A 20 2.392 -1.445 -8.268 1.00 92.57 C +ATOM 127 C PRO A 20 2.984 -0.264 -9.018 1.00 92.41 C +ATOM 128 O PRO A 20 2.573 0.878 -8.828 1.00 92.24 O +ATOM 129 CB PRO A 20 1.353 -2.183 -9.110 1.00 90.93 C +ATOM 130 CG PRO A 20 0.084 -1.472 -8.782 1.00 87.65 C +ATOM 131 CD PRO A 20 0.190 -1.155 -7.314 1.00 90.49 C +HETATM 132 N HYP A 21 4.000 -0.564 -9.846 1.00 91.95 N +HETATM 133 CA HYP A 21 4.536 0.452 -10.687 1.00 92.27 C +HETATM 134 C HYP A 21 3.533 1.115 -11.560 1.00 91.68 C +HETATM 135 O HYP A 21 2.599 0.453 -12.026 1.00 93.83 O +HETATM 136 CB HYP A 21 5.585 -0.278 -11.530 1.00 90.30 C +HETATM 137 CG HYP A 21 6.009 -1.434 -10.691 1.00 88.77 C +HETATM 138 CD HYP A 21 4.749 -1.812 -9.969 1.00 91.80 C +HETATM 139 OD1 HYP A 21 6.972 -0.975 -9.746 1.00 89.55 O +ATOM 140 N GLY A 22 3.640 2.408 -11.753 1.00 92.82 N +ATOM 141 CA GLY A 22 2.758 3.135 -12.612 1.00 91.56 C +ATOM 142 C GLY A 22 3.070 2.818 -14.066 1.00 91.63 C +ATOM 143 O GLY A 22 4.064 2.154 -14.361 1.00 91.74 O +ATOM 144 N PRO A 23 2.260 3.302 -15.001 1.00 93.22 N +ATOM 145 CA PRO A 23 2.492 3.049 -16.412 1.00 92.76 C +ATOM 146 C PRO A 23 3.561 3.986 -16.956 1.00 91.60 C +ATOM 147 O PRO A 23 3.275 5.125 -17.303 1.00 88.71 O +ATOM 148 CB PRO A 23 1.123 3.309 -17.035 1.00 89.88 C +ATOM 149 CG PRO A 23 0.536 4.351 -16.150 1.00 86.66 C +ATOM 150 CD PRO A 23 1.025 4.020 -14.762 1.00 91.11 C +HETATM 151 N HYP A 24 4.769 3.565 -16.902 1.00 95.07 N +HETATM 152 CA HYP A 24 6.095 4.202 -16.769 1.00 89.90 C +HETATM 153 C HYP A 24 6.442 4.868 -15.626 1.00 94.77 C +HETATM 154 O HYP A 24 6.486 6.189 -15.683 1.00 92.69 O +HETATM 155 CB HYP A 24 6.983 3.720 -17.787 1.00 90.68 C +HETATM 156 CG HYP A 24 6.031 3.266 -18.875 1.00 89.70 C +HETATM 157 CD HYP A 24 4.702 2.946 -18.130 1.00 92.36 C +HETATM 158 OD1 HYP A 24 6.526 2.131 -19.511 1.00 90.43 O +HETATM 159 OXT HYP A 24 7.714 4.557 -15.055 1.00 88.27 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_488.txt b/protein_pdb_488.txt new file mode 100644 index 0000000000000000000000000000000000000000..463a4ce55eb5922703ed35fc5ae8820895fc0585 --- /dev/null +++ b/protein_pdb_488.txt @@ -0,0 +1,189 @@ +ATOM 1 N GLY A 1 11.790 17.809 -44.600 1.00 91.93 N +ATOM 2 CA GLY A 1 10.721 18.408 -43.791 1.00 93.12 C +ATOM 3 C GLY A 1 11.073 18.412 -42.314 1.00 93.42 C +ATOM 4 O GLY A 1 12.055 17.784 -41.921 1.00 91.52 O +ATOM 5 N PRO A 2 10.290 19.104 -41.491 1.00 96.87 N +ATOM 6 CA PRO A 2 10.577 19.161 -40.059 1.00 97.33 C +ATOM 7 C PRO A 2 10.345 17.812 -39.381 1.00 97.58 C +ATOM 8 O PRO A 2 9.602 16.956 -39.884 1.00 96.51 O +ATOM 9 CB PRO A 2 9.600 20.219 -39.547 1.00 95.49 C +ATOM 10 CG PRO A 2 8.449 20.101 -40.481 1.00 91.50 C +ATOM 11 CD PRO A 2 9.098 19.887 -41.832 1.00 93.47 C +ATOM 12 N ALA A 3 10.977 17.628 -38.226 1.00 96.45 N +ATOM 13 CA ALA A 3 10.819 16.387 -37.470 1.00 96.91 C +ATOM 14 C ALA A 3 9.389 16.280 -36.955 1.00 96.99 C +ATOM 15 O ALA A 3 8.726 17.287 -36.693 1.00 94.82 O +ATOM 16 CB ALA A 3 11.796 16.347 -36.301 1.00 94.81 C +ATOM 17 N GLY A 4 8.907 15.065 -36.831 1.00 97.58 N +ATOM 18 CA GLY A 4 7.566 14.851 -36.327 1.00 97.15 C +ATOM 19 C GLY A 4 7.477 15.169 -34.840 1.00 97.52 C +ATOM 20 O GLY A 4 8.492 15.358 -34.176 1.00 97.73 O +ATOM 21 N PRO A 5 6.253 15.209 -34.303 1.00 97.75 N +ATOM 22 CA PRO A 5 6.063 15.510 -32.887 1.00 97.71 C +ATOM 23 C PRO A 5 6.541 14.360 -32.006 1.00 97.96 C +ATOM 24 O PRO A 5 6.643 13.212 -32.450 1.00 97.67 O +ATOM 25 CB PRO A 5 4.555 15.736 -32.767 1.00 96.53 C +ATOM 26 CG PRO A 5 4.005 14.830 -33.822 1.00 94.44 C +ATOM 27 CD PRO A 5 4.972 15.002 -34.983 1.00 96.72 C +ATOM 28 N ALA A 6 6.800 14.669 -30.733 1.00 97.67 N +ATOM 29 CA ALA A 6 7.223 13.647 -29.784 1.00 97.63 C +ATOM 30 C ALA A 6 6.080 12.669 -29.541 1.00 97.79 C +ATOM 31 O ALA A 6 4.905 13.031 -29.640 1.00 96.70 O +ATOM 32 CB ALA A 6 7.647 14.296 -28.465 1.00 96.26 C +ATOM 33 N GLY A 7 6.427 11.438 -29.226 1.00 97.85 N +ATOM 34 CA GLY A 7 5.413 10.434 -28.970 1.00 97.55 C +ATOM 35 C GLY A 7 4.688 10.700 -27.656 1.00 97.93 C +ATOM 36 O GLY A 7 5.100 11.558 -26.873 1.00 98.02 O +ATOM 37 N PRO A 8 3.611 9.960 -27.399 1.00 98.25 N +ATOM 38 CA PRO A 8 2.850 10.152 -26.169 1.00 98.22 C +ATOM 39 C PRO A 8 3.621 9.670 -24.943 1.00 98.30 C +ATOM 40 O PRO A 8 4.547 8.866 -25.048 1.00 98.03 O +ATOM 41 CB PRO A 8 1.585 9.322 -26.401 1.00 97.37 C +ATOM 42 CG PRO A 8 2.075 8.221 -27.281 1.00 95.78 C +ATOM 43 CD PRO A 8 3.024 8.917 -28.241 1.00 97.67 C +ATOM 44 N VAL A 9 3.209 10.178 -23.783 1.00 98.21 N +ATOM 45 CA VAL A 9 3.826 9.769 -22.522 1.00 98.14 C +ATOM 46 C VAL A 9 3.472 8.305 -22.267 1.00 98.13 C +ATOM 47 O VAL A 9 2.353 7.868 -22.556 1.00 97.64 O +ATOM 48 CB VAL A 9 3.327 10.647 -21.357 1.00 97.26 C +ATOM 49 CG1 VAL A 9 3.902 10.167 -20.034 1.00 90.38 C +ATOM 50 CG2 VAL A 9 3.708 12.102 -21.604 1.00 90.82 C +ATOM 51 N GLY A 10 4.428 7.549 -21.733 1.00 98.25 N +ATOM 52 CA GLY A 10 4.189 6.147 -21.462 1.00 98.04 C +ATOM 53 C GLY A 10 3.188 5.942 -20.331 1.00 98.24 C +ATOM 54 O GLY A 10 2.843 6.883 -19.615 1.00 98.36 O +ATOM 55 N PRO A 11 2.723 4.709 -20.157 1.00 98.49 N +ATOM 56 CA PRO A 11 1.755 4.420 -19.102 1.00 98.41 C +ATOM 57 C PRO A 11 2.379 4.524 -17.713 1.00 98.56 C +ATOM 58 O PRO A 11 3.600 4.442 -17.559 1.00 98.28 O +ATOM 59 CB PRO A 11 1.307 2.994 -19.417 1.00 97.84 C +ATOM 60 CG PRO A 11 2.527 2.400 -20.039 1.00 96.75 C +ATOM 61 CD PRO A 11 3.060 3.509 -20.924 1.00 98.03 C +ATOM 62 N ALA A 12 1.530 4.698 -16.705 1.00 98.39 N +ATOM 63 CA ALA A 12 2.002 4.783 -15.333 1.00 98.40 C +ATOM 64 C ALA A 12 2.579 3.433 -14.913 1.00 98.47 C +ATOM 65 O ALA A 12 2.188 2.388 -15.429 1.00 97.59 O +ATOM 66 CB ALA A 12 0.860 5.169 -14.402 1.00 97.63 C +ATOM 67 N GLY A 13 3.520 3.472 -13.976 1.00 98.26 N +ATOM 68 CA GLY A 13 4.134 2.250 -13.500 1.00 98.01 C +ATOM 69 C GLY A 13 3.145 1.390 -12.734 1.00 98.28 C +ATOM 70 O GLY A 13 2.103 1.869 -12.282 1.00 98.22 O +ATOM 71 N ALA A 14 3.482 0.123 -12.596 1.00 98.32 N +ATOM 72 CA ALA A 14 2.626 -0.801 -11.879 1.00 98.33 C +ATOM 73 C ALA A 14 2.594 -0.480 -10.388 1.00 98.47 C +ATOM 74 O ALA A 14 3.551 0.061 -9.835 1.00 97.85 O +ATOM 75 CB ALA A 14 3.120 -2.238 -12.082 1.00 97.64 C +ATOM 76 N ARG A 15 1.487 -0.827 -9.740 1.00 98.38 N +ATOM 77 CA ARG A 15 1.345 -0.610 -8.304 1.00 98.39 C +ATOM 78 C ARG A 15 2.325 -1.522 -7.571 1.00 98.22 C +ATOM 79 O ARG A 15 2.541 -2.667 -7.977 1.00 97.59 O +ATOM 80 CB ARG A 15 -0.091 -0.908 -7.872 1.00 97.48 C +ATOM 81 CG ARG A 15 -0.341 -0.682 -6.394 1.00 94.96 C +ATOM 82 CD ARG A 15 -1.790 -0.986 -6.043 1.00 91.93 C +ATOM 83 NE ARG A 15 -2.716 -0.115 -6.748 1.00 87.00 N +ATOM 84 CZ ARG A 15 -4.025 -0.251 -6.750 1.00 83.21 C +ATOM 85 NH1 ARG A 15 -4.597 -1.237 -6.080 1.00 80.96 N +ATOM 86 NH2 ARG A 15 -4.777 0.594 -7.435 1.00 79.99 N +ATOM 87 N GLY A 16 2.892 -1.007 -6.495 1.00 98.12 N +ATOM 88 CA GLY A 16 3.832 -1.793 -5.719 1.00 97.91 C +ATOM 89 C GLY A 16 3.144 -2.957 -5.022 1.00 98.03 C +ATOM 90 O GLY A 16 1.913 -3.001 -4.939 1.00 98.12 O +ATOM 91 N PRO A 17 3.927 -3.911 -4.505 1.00 98.27 N +ATOM 92 CA PRO A 17 3.345 -5.069 -3.827 1.00 98.12 C +ATOM 93 C PRO A 17 2.726 -4.678 -2.487 1.00 98.38 C +ATOM 94 O PRO A 17 3.060 -3.649 -1.902 1.00 98.13 O +ATOM 95 CB PRO A 17 4.545 -6.007 -3.644 1.00 97.26 C +ATOM 96 CG PRO A 17 5.685 -5.063 -3.506 1.00 95.88 C +ATOM 97 CD PRO A 17 5.396 -3.987 -4.532 1.00 97.42 C +ATOM 98 N ALA A 18 1.814 -5.519 -2.015 1.00 98.05 N +ATOM 99 CA ALA A 18 1.177 -5.280 -0.730 1.00 98.11 C +ATOM 100 C ALA A 18 2.213 -5.429 0.375 1.00 98.37 C +ATOM 101 O ALA A 18 3.173 -6.191 0.241 1.00 97.60 O +ATOM 102 CB ALA A 18 0.037 -6.266 -0.512 1.00 97.05 C +ATOM 103 N GLY A 19 2.015 -4.707 1.466 1.00 98.07 N +ATOM 104 CA GLY A 19 2.932 -4.791 2.583 1.00 97.97 C +ATOM 105 C GLY A 19 2.777 -6.115 3.312 1.00 98.12 C +ATOM 106 O GLY A 19 1.847 -6.876 3.037 1.00 98.12 O +ATOM 107 N PRO A 20 3.682 -6.400 4.255 1.00 98.10 N +ATOM 108 CA PRO A 20 3.614 -7.649 5.009 1.00 98.15 C +ATOM 109 C PRO A 20 2.430 -7.660 5.960 1.00 98.34 C +ATOM 110 O PRO A 20 1.906 -6.613 6.325 1.00 98.14 O +ATOM 111 CB PRO A 20 4.948 -7.684 5.762 1.00 97.25 C +ATOM 112 CG PRO A 20 5.254 -6.238 5.959 1.00 95.77 C +ATOM 113 CD PRO A 20 4.839 -5.596 4.656 1.00 97.42 C +HETATM 114 N HYP A 21 2.043 -8.832 6.379 1.00 98.28 N +HETATM 115 CA HYP A 21 0.974 -8.985 7.313 1.00 98.25 C +HETATM 116 C HYP A 21 1.313 -8.341 8.661 1.00 98.29 C +HETATM 117 O HYP A 21 2.481 -8.384 9.080 1.00 97.58 O +HETATM 118 CB HYP A 21 0.888 -10.534 7.527 1.00 97.07 C +HETATM 119 CG HYP A 21 1.484 -11.088 6.281 1.00 96.89 C +HETATM 120 CD HYP A 21 2.527 -10.116 5.908 1.00 97.68 C +HETATM 121 OD1 HYP A 21 0.549 -11.214 5.265 1.00 96.63 O +ATOM 122 N GLY A 22 0.337 -7.773 9.285 1.00 98.02 N +ATOM 123 CA GLY A 22 0.564 -7.171 10.573 1.00 97.87 C +ATOM 124 C GLY A 22 0.838 -8.257 11.597 1.00 98.02 C +ATOM 125 O GLY A 22 0.625 -9.443 11.341 1.00 97.94 O +ATOM 126 N PRO A 23 1.304 -7.859 12.793 1.00 98.05 N +ATOM 127 CA PRO A 23 1.599 -8.841 13.832 1.00 97.73 C +ATOM 128 C PRO A 23 0.322 -9.478 14.380 1.00 97.95 C +ATOM 129 O PRO A 23 -0.760 -8.911 14.293 1.00 97.30 O +ATOM 130 CB PRO A 23 2.321 -8.020 14.894 1.00 96.45 C +ATOM 131 CG PRO A 23 1.730 -6.666 14.731 1.00 94.84 C +ATOM 132 CD PRO A 23 1.611 -6.499 13.228 1.00 96.91 C +ATOM 133 N ALA A 24 0.478 -10.664 14.942 1.00 97.69 N +ATOM 134 CA ALA A 24 -0.650 -11.356 15.534 1.00 97.40 C +ATOM 135 C ALA A 24 -1.118 -10.589 16.765 1.00 97.55 C +ATOM 136 O ALA A 24 -0.322 -9.928 17.431 1.00 96.43 O +ATOM 137 CB ALA A 24 -0.255 -12.778 15.930 1.00 95.82 C +ATOM 138 N GLY A 25 -2.393 -10.687 17.047 1.00 96.97 N +ATOM 139 CA GLY A 25 -2.936 -10.009 18.208 1.00 96.68 C +ATOM 140 C GLY A 25 -2.474 -10.683 19.484 1.00 96.90 C +ATOM 141 O GLY A 25 -1.925 -11.784 19.454 1.00 96.81 O +ATOM 142 N PRO A 26 -2.697 -10.046 20.637 1.00 97.12 N +ATOM 143 CA PRO A 26 -2.276 -10.620 21.911 1.00 96.99 C +ATOM 144 C PRO A 26 -3.121 -11.836 22.278 1.00 97.12 C +ATOM 145 O PRO A 26 -4.244 -11.987 21.803 1.00 96.63 O +ATOM 146 CB PRO A 26 -2.482 -9.468 22.893 1.00 95.22 C +ATOM 147 CG PRO A 26 -3.607 -8.700 22.288 1.00 93.16 C +ATOM 148 CD PRO A 26 -3.313 -8.729 20.806 1.00 95.70 C +HETATM 149 N HYP A 27 -2.595 -12.674 23.154 1.00 97.28 N +HETATM 150 CA HYP A 27 -3.338 -13.838 23.608 1.00 96.49 C +HETATM 151 C HYP A 27 -4.570 -13.421 24.413 1.00 97.35 C +HETATM 152 O HYP A 27 -4.565 -12.395 25.067 1.00 96.62 O +HETATM 153 CB HYP A 27 -2.310 -14.466 24.635 1.00 95.48 C +HETATM 154 CG HYP A 27 -0.938 -14.004 24.195 1.00 93.91 C +HETATM 155 CD HYP A 27 -1.207 -12.614 23.683 1.00 95.78 C +HETATM 156 OD1 HYP A 27 -0.413 -14.810 23.177 1.00 93.08 O +ATOM 157 N GLY A 28 -5.591 -14.218 24.289 1.00 96.23 N +ATOM 158 CA GLY A 28 -6.798 -13.931 25.027 1.00 95.97 C +ATOM 159 C GLY A 28 -6.544 -14.130 26.509 1.00 96.23 C +ATOM 160 O GLY A 28 -5.525 -14.697 26.911 1.00 95.97 O +ATOM 161 N PRO A 29 -7.479 -13.698 27.358 1.00 96.03 N +ATOM 162 CA PRO A 29 -7.307 -13.845 28.801 1.00 95.77 C +ATOM 163 C PRO A 29 -7.375 -15.304 29.220 1.00 95.71 C +ATOM 164 O PRO A 29 -7.999 -16.124 28.547 1.00 94.65 O +ATOM 165 CB PRO A 29 -8.453 -13.025 29.370 1.00 93.64 C +ATOM 166 CG PRO A 29 -9.499 -13.110 28.305 1.00 92.27 C +ATOM 167 CD PRO A 29 -8.716 -13.008 27.019 1.00 94.70 C +HETATM 168 N HYP A 30 -6.766 -15.631 30.390 1.00 96.57 N +HETATM 169 CA HYP A 30 -6.814 -16.994 30.870 1.00 95.38 C +HETATM 170 C HYP A 30 -8.195 -17.361 31.301 1.00 95.25 C +HETATM 171 O HYP A 30 -8.920 -16.566 31.855 1.00 95.16 O +HETATM 172 CB HYP A 30 -5.892 -16.891 32.194 1.00 93.53 C +HETATM 173 CG HYP A 30 -5.023 -15.704 32.014 1.00 91.99 C +HETATM 174 CD HYP A 30 -5.863 -14.742 31.172 1.00 94.49 C +HETATM 175 OD1 HYP A 30 -3.868 -16.050 31.293 1.00 92.28 O +ATOM 176 N GLY A 31 -8.572 -18.670 30.989 1.00 92.57 N +ATOM 177 CA GLY A 31 -9.888 -19.152 31.323 1.00 91.09 C +ATOM 178 C GLY A 31 -10.055 -19.215 32.837 1.00 89.90 C +ATOM 179 O GLY A 31 -9.085 -19.424 33.568 1.00 86.71 O +ATOM 180 N VAL A 32 -11.306 -19.055 33.312 1.00 95.33 N +ATOM 181 CA VAL A 32 -11.617 -19.129 34.747 1.00 94.11 C +ATOM 182 C VAL A 32 -12.837 -20.011 34.998 1.00 91.26 C +ATOM 183 O VAL A 32 -12.979 -20.525 36.109 1.00 87.95 O +ATOM 184 CB VAL A 32 -11.882 -17.726 35.345 1.00 88.10 C +ATOM 185 CG1 VAL A 32 -10.604 -16.905 35.306 1.00 79.41 C +ATOM 186 CG2 VAL A 32 -12.986 -17.010 34.567 1.00 81.89 C +ATOM 187 OXT VAL A 32 -13.646 -20.210 34.091 1.00 78.76 O +TER 188 VAL A 32 +END diff --git a/protein_pdb_489.txt b/protein_pdb_489.txt new file mode 100644 index 0000000000000000000000000000000000000000..44973f4903cea52c7cad0c8316cff136362b1134 --- /dev/null +++ b/protein_pdb_489.txt @@ -0,0 +1,201 @@ +ATOM 1 N GLY A 1 -16.964 14.899 -42.100 1.00 89.47 N +ATOM 2 CA GLY A 1 -17.709 13.998 -41.213 1.00 90.75 C +ATOM 3 C GLY A 1 -17.404 14.279 -39.753 1.00 91.57 C +ATOM 4 O GLY A 1 -16.448 14.993 -39.453 1.00 87.93 O +ATOM 5 N ASP A 2 -18.199 13.717 -38.839 1.00 93.82 N +ATOM 6 CA ASP A 2 -17.984 13.919 -37.411 1.00 96.32 C +ATOM 7 C ASP A 2 -16.763 13.137 -36.931 1.00 96.60 C +ATOM 8 O ASP A 2 -16.418 12.087 -37.481 1.00 95.86 O +ATOM 9 CB ASP A 2 -19.213 13.478 -36.605 1.00 93.01 C +ATOM 10 CG ASP A 2 -20.452 14.307 -36.905 1.00 86.50 C +ATOM 11 OD1 ASP A 2 -20.312 15.479 -37.296 1.00 84.15 O +ATOM 12 OD2 ASP A 2 -21.563 13.769 -36.726 1.00 80.45 O +ATOM 13 N ALA A 3 -16.118 13.647 -35.887 1.00 96.16 N +ATOM 14 CA ALA A 3 -14.979 12.951 -35.301 1.00 96.72 C +ATOM 15 C ALA A 3 -15.446 11.659 -34.659 1.00 97.07 C +ATOM 16 O ALA A 3 -16.560 11.575 -34.136 1.00 95.91 O +ATOM 17 CB ALA A 3 -14.298 13.839 -34.259 1.00 93.68 C +ATOM 18 N GLY A 4 -14.593 10.647 -34.668 1.00 97.38 N +ATOM 19 CA GLY A 4 -14.936 9.386 -34.046 1.00 97.03 C +ATOM 20 C GLY A 4 -15.006 9.506 -32.537 1.00 97.26 C +ATOM 21 O GLY A 4 -14.474 10.452 -31.953 1.00 96.87 O +ATOM 22 N ALA A 5 -15.658 8.536 -31.887 1.00 97.83 N +ATOM 23 CA ALA A 5 -15.795 8.526 -30.431 1.00 97.79 C +ATOM 24 C ALA A 5 -14.453 8.211 -29.783 1.00 97.98 C +ATOM 25 O ALA A 5 -13.621 7.521 -30.359 1.00 97.54 O +ATOM 26 CB ALA A 5 -16.832 7.495 -30.005 1.00 95.80 C +HETATM 27 N HYP A 6 -14.249 8.697 -28.606 1.00 98.07 N +HETATM 28 CA HYP A 6 -13.083 8.386 -27.823 1.00 97.77 C +HETATM 29 C HYP A 6 -12.935 6.887 -27.572 1.00 97.99 C +HETATM 30 O HYP A 6 -13.963 6.176 -27.430 1.00 97.21 O +HETATM 31 CB HYP A 6 -13.219 9.159 -26.503 1.00 97.43 C +HETATM 32 CG HYP A 6 -14.167 10.274 -26.840 1.00 97.29 C +HETATM 33 CD HYP A 6 -15.049 9.679 -27.895 1.00 97.37 C +HETATM 34 OD1 HYP A 6 -13.501 11.386 -27.332 1.00 96.77 O +ATOM 35 N GLY A 7 -11.687 6.416 -27.493 1.00 98.19 N +ATOM 36 CA GLY A 7 -11.443 5.017 -27.240 1.00 97.79 C +ATOM 37 C GLY A 7 -11.862 4.632 -25.825 1.00 97.84 C +ATOM 38 O GLY A 7 -12.083 5.484 -24.968 1.00 97.70 O +ATOM 39 N GLU A 8 -11.975 3.304 -25.579 1.00 98.00 N +ATOM 40 CA GLU A 8 -12.353 2.807 -24.264 1.00 98.00 C +ATOM 41 C GLU A 8 -11.275 3.097 -23.231 1.00 97.92 C +ATOM 42 O GLU A 8 -10.091 3.150 -23.538 1.00 97.34 O +ATOM 43 CB GLU A 8 -12.612 1.301 -24.292 1.00 96.75 C +ATOM 44 CG GLU A 8 -13.851 0.909 -25.075 1.00 90.91 C +ATOM 45 CD GLU A 8 -14.160 -0.568 -24.951 1.00 85.30 C +ATOM 46 OE1 GLU A 8 -15.320 -0.948 -25.183 1.00 80.90 O +ATOM 47 OE2 GLU A 8 -13.243 -1.353 -24.614 1.00 79.94 O +ATOM 48 N ARG A 9 -11.696 3.254 -21.967 1.00 98.17 N +ATOM 49 CA ARG A 9 -10.762 3.474 -20.873 1.00 97.97 C +ATOM 50 C ARG A 9 -9.922 2.210 -20.682 1.00 98.07 C +ATOM 51 O ARG A 9 -10.437 1.099 -20.768 1.00 97.74 O +ATOM 52 CB ARG A 9 -11.535 3.794 -19.586 1.00 96.50 C +ATOM 53 CG ARG A 9 -10.666 4.122 -18.390 1.00 92.40 C +ATOM 54 CD ARG A 9 -11.527 4.373 -17.155 1.00 90.11 C +ATOM 55 NE ARG A 9 -12.452 5.471 -17.336 1.00 85.51 N +ATOM 56 CZ ARG A 9 -12.138 6.750 -17.200 1.00 82.91 C +ATOM 57 NH1 ARG A 9 -10.912 7.114 -16.864 1.00 78.71 N +ATOM 58 NH2 ARG A 9 -13.060 7.676 -17.403 1.00 79.73 N +ATOM 59 N GLY A 10 -8.650 2.386 -20.431 1.00 98.04 N +ATOM 60 CA GLY A 10 -7.779 1.251 -20.215 1.00 97.93 C +ATOM 61 C GLY A 10 -8.103 0.517 -18.931 1.00 98.02 C +ATOM 62 O GLY A 10 -8.857 1.018 -18.093 1.00 98.00 O +ATOM 63 N PRO A 11 -7.547 -0.684 -18.739 1.00 98.33 N +ATOM 64 CA PRO A 11 -7.825 -1.469 -17.532 1.00 98.37 C +ATOM 65 C PRO A 11 -7.191 -0.830 -16.300 1.00 98.50 C +ATOM 66 O PRO A 11 -6.241 -0.061 -16.406 1.00 98.40 O +ATOM 67 CB PRO A 11 -7.197 -2.828 -17.842 1.00 97.37 C +ATOM 68 CG PRO A 11 -6.080 -2.491 -18.768 1.00 95.81 C +ATOM 69 CD PRO A 11 -6.638 -1.392 -19.639 1.00 97.37 C +HETATM 70 N HYP A 12 -7.688 -1.196 -15.137 1.00 98.27 N +HETATM 71 CA HYP A 12 -7.133 -0.700 -13.877 1.00 98.19 C +HETATM 72 C HYP A 12 -5.713 -1.163 -13.699 1.00 97.99 C +HETATM 73 O HYP A 12 -5.338 -2.253 -14.194 1.00 97.54 O +HETATM 74 CB HYP A 12 -8.057 -1.379 -12.784 1.00 97.34 C +HETATM 75 CG HYP A 12 -9.354 -1.642 -13.503 1.00 96.70 C +HETATM 76 CD HYP A 12 -8.925 -1.941 -14.929 1.00 97.53 C +HETATM 77 OD1 HYP A 12 -10.191 -0.502 -13.479 1.00 95.93 O +ATOM 78 N GLY A 13 -4.904 -0.350 -13.023 1.00 98.34 N +ATOM 79 CA GLY A 13 -3.531 -0.718 -12.760 1.00 98.13 C +ATOM 80 C GLY A 13 -3.451 -1.923 -11.838 1.00 98.39 C +ATOM 81 O GLY A 13 -4.428 -2.288 -11.177 1.00 98.16 O +ATOM 82 N LEU A 14 -2.271 -2.546 -11.784 1.00 97.96 N +ATOM 83 CA LEU A 14 -2.051 -3.691 -10.917 1.00 97.97 C +ATOM 84 C LEU A 14 -2.095 -3.267 -9.454 1.00 97.91 C +ATOM 85 O LEU A 14 -1.779 -2.131 -9.108 1.00 97.60 O +ATOM 86 CB LEU A 14 -0.696 -4.338 -11.211 1.00 96.89 C +ATOM 87 CG LEU A 14 -0.522 -4.934 -12.600 1.00 91.03 C +ATOM 88 CD1 LEU A 14 0.909 -5.421 -12.778 1.00 90.19 C +ATOM 89 CD2 LEU A 14 -1.504 -6.077 -12.821 1.00 88.30 C +ATOM 90 N ALA A 15 -2.471 -4.202 -8.573 1.00 98.03 N +ATOM 91 CA ALA A 15 -2.508 -3.926 -7.143 1.00 98.07 C +ATOM 92 C ALA A 15 -1.093 -3.608 -6.670 1.00 98.17 C +ATOM 93 O ALA A 15 -0.117 -4.173 -7.162 1.00 97.67 O +ATOM 94 CB ALA A 15 -3.058 -5.129 -6.376 1.00 96.94 C +ATOM 95 N GLY A 16 -0.986 -2.691 -5.711 1.00 98.16 N +ATOM 96 CA GLY A 16 0.312 -2.322 -5.180 1.00 97.82 C +ATOM 97 C GLY A 16 0.948 -3.458 -4.400 1.00 98.06 C +ATOM 98 O GLY A 16 0.279 -4.404 -3.989 1.00 98.03 O +ATOM 99 N ALA A 17 2.250 -3.360 -4.204 1.00 97.92 N +ATOM 100 CA ALA A 17 2.996 -4.361 -3.455 1.00 97.89 C +ATOM 101 C ALA A 17 2.652 -4.274 -1.977 1.00 98.07 C +ATOM 102 O ALA A 17 2.245 -3.230 -1.485 1.00 97.65 O +ATOM 103 CB ALA A 17 4.492 -4.149 -3.649 1.00 96.69 C +HETATM 104 N HYP A 18 2.777 -5.375 -1.215 1.00 97.68 N +HETATM 105 CA HYP A 18 2.655 -5.380 0.197 1.00 97.48 C +HETATM 106 C HYP A 18 3.585 -4.408 0.877 1.00 97.69 C +HETATM 107 O HYP A 18 4.680 -4.160 0.369 1.00 96.89 O +HETATM 108 CB HYP A 18 2.960 -6.818 0.631 1.00 96.78 C +HETATM 109 CG HYP A 18 2.644 -7.622 -0.591 1.00 95.34 C +HETATM 110 CD HYP A 18 3.004 -6.721 -1.714 1.00 96.42 C +HETATM 111 OD1 HYP A 18 1.268 -7.968 -0.677 1.00 95.36 O +ATOM 112 N GLY A 19 3.166 -3.860 1.985 1.00 98.03 N +ATOM 113 CA GLY A 19 4.005 -2.946 2.719 1.00 97.75 C +ATOM 114 C GLY A 19 5.203 -3.672 3.308 1.00 97.91 C +ATOM 115 O GLY A 19 5.273 -4.902 3.289 1.00 98.03 O +ATOM 116 N PRO A 20 6.174 -2.911 3.841 1.00 97.82 N +ATOM 117 CA PRO A 20 7.371 -3.512 4.419 1.00 97.89 C +ATOM 118 C PRO A 20 7.070 -4.235 5.725 1.00 97.94 C +ATOM 119 O PRO A 20 6.090 -3.943 6.394 1.00 97.58 O +ATOM 120 CB PRO A 20 8.296 -2.312 4.642 1.00 96.67 C +ATOM 121 CG PRO A 20 7.338 -1.197 4.873 1.00 95.29 C +ATOM 122 CD PRO A 20 6.215 -1.454 3.898 1.00 97.31 C +HETATM 123 N HYP A 21 7.888 -5.156 6.109 1.00 97.15 N +HETATM 124 CA HYP A 21 7.813 -5.853 7.367 1.00 96.77 C +HETATM 125 C HYP A 21 7.861 -4.901 8.561 1.00 97.17 C +HETATM 126 O HYP A 21 8.527 -3.855 8.471 1.00 96.24 O +HETATM 127 CB HYP A 21 9.036 -6.781 7.349 1.00 95.31 C +HETATM 128 CG HYP A 21 9.270 -7.046 5.889 1.00 93.97 C +HETATM 129 CD HYP A 21 8.923 -5.738 5.251 1.00 95.71 C +HETATM 130 OD1 HYP A 21 8.407 -8.049 5.372 1.00 93.73 O +ATOM 131 N GLY A 22 7.192 -5.247 9.625 1.00 97.20 N +ATOM 132 CA GLY A 22 7.206 -4.424 10.810 1.00 97.09 C +ATOM 133 C GLY A 22 8.579 -4.438 11.458 1.00 97.42 C +ATOM 134 O GLY A 22 9.472 -5.185 11.044 1.00 97.59 O +ATOM 135 N PRO A 23 8.779 -3.608 12.493 1.00 97.50 N +ATOM 136 CA PRO A 23 10.071 -3.531 13.169 1.00 97.56 C +ATOM 137 C PRO A 23 10.383 -4.801 13.944 1.00 97.72 C +ATOM 138 O PRO A 23 9.482 -5.542 14.329 1.00 97.45 O +ATOM 139 CB PRO A 23 9.910 -2.323 14.089 1.00 96.17 C +ATOM 140 CG PRO A 23 8.449 -2.308 14.375 1.00 94.37 C +ATOM 141 CD PRO A 23 7.805 -2.694 13.064 1.00 96.88 C +HETATM 142 N HYP A 24 11.626 -5.056 14.215 1.00 97.46 N +HETATM 143 CA HYP A 24 12.054 -6.186 15.016 1.00 96.46 C +HETATM 144 C HYP A 24 11.464 -6.121 16.429 1.00 97.25 C +HETATM 145 O HYP A 24 11.245 -5.022 16.950 1.00 96.77 O +HETATM 146 CB HYP A 24 13.600 -6.014 15.097 1.00 95.59 C +HETATM 147 CG HYP A 24 13.956 -5.267 13.849 1.00 93.86 C +HETATM 148 CD HYP A 24 12.772 -4.341 13.658 1.00 95.89 C +HETATM 149 OD1 HYP A 24 14.062 -6.118 12.723 1.00 93.88 O +ATOM 150 N GLY A 25 11.231 -7.273 17.007 1.00 97.22 N +ATOM 151 CA GLY A 25 10.730 -7.323 18.356 1.00 96.86 C +ATOM 152 C GLY A 25 11.786 -6.828 19.332 1.00 97.00 C +ATOM 153 O GLY A 25 12.950 -6.649 18.961 1.00 96.98 O +ATOM 154 N PRO A 26 11.409 -6.625 20.599 1.00 97.30 N +ATOM 155 CA PRO A 26 12.357 -6.129 21.591 1.00 97.05 C +ATOM 156 C PRO A 26 13.385 -7.188 21.957 1.00 97.03 C +ATOM 157 O PRO A 26 13.137 -8.381 21.825 1.00 96.47 O +ATOM 158 CB PRO A 26 11.459 -5.763 22.777 1.00 95.44 C +ATOM 159 CG PRO A 26 10.308 -6.701 22.631 1.00 93.57 C +ATOM 160 CD PRO A 26 10.062 -6.773 21.148 1.00 96.42 C +HETATM 161 N HYP A 27 14.549 -6.790 22.441 1.00 97.06 N +HETATM 162 CA HYP A 27 15.557 -7.706 22.896 1.00 95.88 C +HETATM 163 C HYP A 27 15.054 -8.567 24.050 1.00 96.69 C +HETATM 164 O HYP A 27 14.204 -8.117 24.821 1.00 95.79 O +HETATM 165 CB HYP A 27 16.683 -6.738 23.432 1.00 94.45 C +HETATM 166 CG HYP A 27 16.499 -5.455 22.658 1.00 92.48 C +HETATM 167 CD HYP A 27 14.984 -5.386 22.492 1.00 95.19 C +HETATM 168 OD1 HYP A 27 17.107 -5.516 21.378 1.00 91.48 O +ATOM 169 N GLY A 28 15.577 -9.761 24.148 1.00 94.93 N +ATOM 170 CA GLY A 28 15.214 -10.634 25.234 1.00 94.86 C +ATOM 171 C GLY A 28 15.708 -10.072 26.555 1.00 95.43 C +ATOM 172 O GLY A 28 16.495 -9.124 26.583 1.00 95.41 O +ATOM 173 N PRO A 29 15.268 -10.657 27.683 1.00 95.81 N +ATOM 174 CA PRO A 29 15.695 -10.166 28.988 1.00 95.68 C +ATOM 175 C PRO A 29 17.169 -10.440 29.224 1.00 95.41 C +ATOM 176 O PRO A 29 17.735 -11.376 28.666 1.00 94.61 O +ATOM 177 CB PRO A 29 14.805 -10.936 29.953 1.00 93.43 C +ATOM 178 CG PRO A 29 14.506 -12.197 29.219 1.00 91.65 C +ATOM 179 CD PRO A 29 14.331 -11.772 27.793 1.00 95.11 C +HETATM 180 N HYP A 30 17.840 -9.648 30.106 1.00 94.75 N +HETATM 181 CA HYP A 30 19.224 -9.830 30.388 1.00 94.39 C +HETATM 182 C HYP A 30 19.477 -11.151 31.031 1.00 93.29 C +HETATM 183 O HYP A 30 18.677 -11.637 31.830 1.00 92.48 O +HETATM 184 CB HYP A 30 19.543 -8.691 31.432 1.00 90.95 C +HETATM 185 CG HYP A 30 18.507 -7.644 31.202 1.00 88.79 C +HETATM 186 CD HYP A 30 17.284 -8.458 30.746 1.00 92.39 C +HETATM 187 OD1 HYP A 30 18.909 -6.778 30.158 1.00 88.48 O +ATOM 188 N GLY A 31 20.653 -11.762 30.683 1.00 90.19 N +ATOM 189 CA GLY A 31 21.015 -13.026 31.271 1.00 88.58 C +ATOM 190 C GLY A 31 21.323 -12.842 32.752 1.00 87.04 C +ATOM 191 O GLY A 31 21.560 -11.733 33.222 1.00 83.29 O +ATOM 192 N VAL A 32 21.340 -13.946 33.496 1.00 93.81 N +ATOM 193 CA VAL A 32 21.644 -13.926 34.923 1.00 92.10 C +ATOM 194 C VAL A 32 22.783 -14.905 35.217 1.00 88.65 C +ATOM 195 O VAL A 32 23.152 -15.702 34.354 1.00 84.95 O +ATOM 196 CB VAL A 32 20.403 -14.289 35.776 1.00 84.86 C +ATOM 197 CG1 VAL A 32 19.382 -13.160 35.710 1.00 76.26 C +ATOM 198 CG2 VAL A 32 19.786 -15.584 35.298 1.00 78.41 C +ATOM 199 OXT VAL A 32 23.354 -14.863 36.323 1.00 74.59 O +TER 200 VAL A 32 +END diff --git a/protein_pdb_49.txt b/protein_pdb_49.txt new file mode 100644 index 0000000000000000000000000000000000000000..aba05ae6360290d516994757dd9ff48d09c75bac --- /dev/null +++ b/protein_pdb_49.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -29.597 17.716 -2.423 1.00 79.34 N +ATOM 2 CA GLY A 1 -28.408 18.187 -1.713 1.00 82.42 C +ATOM 3 C GLY A 1 -27.179 18.135 -2.591 1.00 82.83 C +ATOM 4 O GLY A 1 -27.219 17.592 -3.696 1.00 80.70 O +ATOM 5 N PRO A 2 -26.073 18.694 -2.128 1.00 82.41 N +ATOM 6 CA PRO A 2 -24.832 18.695 -2.904 1.00 86.56 C +ATOM 7 C PRO A 2 -24.233 17.304 -3.008 1.00 86.22 C +ATOM 8 O PRO A 2 -24.569 16.405 -2.241 1.00 85.35 O +ATOM 9 CB PRO A 2 -23.926 19.643 -2.121 1.00 84.03 C +ATOM 10 CG PRO A 2 -24.402 19.524 -0.726 1.00 78.38 C +ATOM 11 CD PRO A 2 -25.900 19.337 -0.821 1.00 79.20 C +HETATM 12 N HYP A 3 -23.429 17.157 -3.940 1.00 85.35 N +HETATM 13 CA HYP A 3 -22.641 15.871 -4.108 1.00 85.06 C +HETATM 14 C HYP A 3 -21.842 15.557 -2.875 1.00 82.59 C +HETATM 15 O HYP A 3 -21.373 16.461 -2.173 1.00 84.23 O +HETATM 16 CB HYP A 3 -21.771 16.186 -5.311 1.00 81.24 C +HETATM 17 CG HYP A 3 -22.540 17.247 -6.120 1.00 79.19 C +HETATM 18 CD HYP A 3 -23.149 18.112 -4.993 1.00 82.52 C +HETATM 19 OD1 HYP A 3 -23.576 16.680 -6.859 1.00 83.92 O +ATOM 20 N GLY A 4 -21.706 14.244 -2.581 1.00 88.32 N +ATOM 21 CA GLY A 4 -20.953 13.804 -1.433 1.00 87.59 C +ATOM 22 C GLY A 4 -19.467 14.088 -1.597 1.00 87.21 C +ATOM 23 O GLY A 4 -18.998 14.426 -2.685 1.00 86.88 O +ATOM 24 N PRO A 5 -18.717 13.947 -0.511 1.00 84.20 N +ATOM 25 CA PRO A 5 -17.279 14.191 -0.570 1.00 85.69 C +ATOM 26 C PRO A 5 -16.562 13.094 -1.347 1.00 85.00 C +ATOM 27 O PRO A 5 -17.101 12.012 -1.558 1.00 83.74 O +ATOM 28 CB PRO A 5 -16.860 14.205 0.900 1.00 83.40 C +ATOM 29 CG PRO A 5 -17.853 13.305 1.551 1.00 80.85 C +ATOM 30 CD PRO A 5 -19.155 13.533 0.814 1.00 82.04 C +HETATM 31 N HYP A 6 -15.374 13.406 -1.790 1.00 86.05 N +HETATM 32 CA HYP A 6 -14.506 12.335 -2.375 1.00 90.08 C +HETATM 33 C HYP A 6 -14.300 11.190 -1.482 1.00 85.08 C +HETATM 34 O HYP A 6 -14.265 11.349 -0.251 1.00 84.41 O +HETATM 35 CB HYP A 6 -13.219 13.124 -2.681 1.00 83.55 C +HETATM 36 CG HYP A 6 -13.673 14.569 -2.903 1.00 82.69 C +HETATM 37 CD HYP A 6 -14.761 14.701 -1.843 1.00 84.69 C +HETATM 38 OD1 HYP A 6 -14.220 14.757 -4.181 1.00 82.64 O +ATOM 39 N GLY A 7 -14.197 9.961 -2.036 1.00 89.74 N +ATOM 40 CA GLY A 7 -14.005 8.751 -1.280 1.00 88.27 C +ATOM 41 C GLY A 7 -12.665 8.726 -0.575 1.00 88.21 C +ATOM 42 O GLY A 7 -11.799 9.572 -0.815 1.00 87.33 O +ATOM 43 N PRO A 8 -12.471 7.739 0.298 1.00 83.61 N +ATOM 44 CA PRO A 8 -11.214 7.619 1.026 1.00 83.99 C +ATOM 45 C PRO A 8 -10.086 7.158 0.110 1.00 83.51 C +ATOM 46 O PRO A 8 -10.320 6.676 -0.994 1.00 82.27 O +ATOM 47 CB PRO A 8 -11.521 6.587 2.104 1.00 82.09 C +ATOM 48 CG PRO A 8 -12.566 5.730 1.480 1.00 82.01 C +ATOM 49 CD PRO A 8 -13.406 6.677 0.653 1.00 83.00 C +HETATM 50 N HYP A 9 -8.878 7.304 0.543 1.00 82.18 N +HETATM 51 CA HYP A 9 -7.727 6.767 -0.159 1.00 86.17 C +HETATM 52 C HYP A 9 -7.823 5.320 -0.376 1.00 83.59 C +HETATM 53 O HYP A 9 -8.339 4.578 0.453 1.00 82.89 O +HETATM 54 CB HYP A 9 -6.574 7.130 0.782 1.00 81.78 C +HETATM 55 CG HYP A 9 -7.051 8.305 1.543 1.00 80.99 C +HETATM 56 CD HYP A 9 -8.503 8.004 1.723 1.00 83.57 C +HETATM 57 OD1 HYP A 9 -6.898 9.503 0.799 1.00 82.08 O +ATOM 58 N GLY A 10 -7.279 4.833 -1.500 1.00 86.62 N +ATOM 59 CA GLY A 10 -7.287 3.430 -1.826 1.00 84.06 C +ATOM 60 C GLY A 10 -6.467 2.617 -0.833 1.00 84.10 C +ATOM 61 O GLY A 10 -5.819 3.163 0.060 1.00 83.28 O +ATOM 62 N PRO A 11 -6.470 1.283 -1.008 1.00 82.08 N +ATOM 63 CA PRO A 11 -5.700 0.443 -0.092 1.00 83.33 C +ATOM 64 C PRO A 11 -4.208 0.688 -0.211 1.00 82.47 C +ATOM 65 O PRO A 11 -3.706 1.156 -1.232 1.00 80.36 O +ATOM 66 CB PRO A 11 -6.062 -0.994 -0.503 1.00 81.38 C +ATOM 67 CG PRO A 11 -6.836 -0.890 -1.734 1.00 81.94 C +ATOM 68 CD PRO A 11 -7.202 0.527 -2.009 1.00 81.32 C +ATOM 69 N ALA A 12 -3.494 0.372 0.864 1.00 82.35 N +ATOM 70 CA ALA A 12 -2.053 0.504 0.856 1.00 82.12 C +ATOM 71 C ALA A 12 -1.453 -0.406 -0.203 1.00 83.29 C +ATOM 72 O ALA A 12 -2.017 -1.454 -0.535 1.00 78.77 O +ATOM 73 CB ALA A 12 -1.477 0.162 2.228 1.00 78.13 C +ATOM 74 N GLY A 13 -0.327 0.016 -0.728 1.00 83.46 N +ATOM 75 CA GLY A 13 0.343 -0.779 -1.738 1.00 81.46 C +ATOM 76 C GLY A 13 0.865 -2.089 -1.183 1.00 82.03 C +ATOM 77 O GLY A 13 0.836 -2.326 0.030 1.00 81.79 O +ATOM 78 N PRO A 14 1.355 -2.969 -2.059 1.00 81.13 N +ATOM 79 CA PRO A 14 1.862 -4.264 -1.624 1.00 82.87 C +ATOM 80 C PRO A 14 3.165 -4.119 -0.847 1.00 82.50 C +ATOM 81 O PRO A 14 3.829 -3.093 -0.901 1.00 81.91 O +ATOM 82 CB PRO A 14 2.082 -5.024 -2.939 1.00 81.76 C +ATOM 83 CG PRO A 14 2.345 -3.954 -3.929 1.00 79.41 C +ATOM 84 CD PRO A 14 1.469 -2.800 -3.512 1.00 77.95 C +HETATM 85 N HYP A 15 3.554 -5.182 -0.116 1.00 79.19 N +HETATM 86 CA HYP A 15 4.781 -5.206 0.572 1.00 77.95 C +HETATM 87 C HYP A 15 5.989 -5.021 -0.364 1.00 81.39 C +HETATM 88 O HYP A 15 5.894 -5.417 -1.543 1.00 73.41 O +HETATM 89 CB HYP A 15 4.783 -6.611 1.185 1.00 80.32 C +HETATM 90 CG HYP A 15 3.321 -6.926 1.353 1.00 77.47 C +HETATM 91 CD HYP A 15 2.756 -6.334 0.106 1.00 81.26 C +HETATM 92 OD1 HYP A 15 2.804 -6.290 2.481 1.00 81.46 O +ATOM 93 N GLY A 16 7.002 -4.400 0.102 1.00 85.53 N +ATOM 94 CA GLY A 16 8.179 -4.220 -0.694 1.00 84.18 C +ATOM 95 C GLY A 16 8.856 -5.557 -0.974 1.00 85.50 C +ATOM 96 O GLY A 16 8.513 -6.578 -0.375 1.00 85.37 O +ATOM 97 N PRO A 17 9.817 -5.551 -1.889 1.00 78.64 N +ATOM 98 CA PRO A 17 10.521 -6.784 -2.218 1.00 81.27 C +ATOM 99 C PRO A 17 11.426 -7.226 -1.078 1.00 81.02 C +ATOM 100 O PRO A 17 11.764 -6.445 -0.197 1.00 81.78 O +ATOM 101 CB PRO A 17 11.325 -6.418 -3.460 1.00 80.69 C +ATOM 102 CG PRO A 17 11.557 -4.953 -3.318 1.00 78.09 C +ATOM 103 CD PRO A 17 10.310 -4.412 -2.666 1.00 77.11 C +HETATM 104 N HYP A 18 11.813 -8.465 -1.074 1.00 81.55 N +HETATM 105 CA HYP A 18 12.789 -8.973 -0.148 1.00 85.89 C +HETATM 106 C HYP A 18 14.081 -8.195 -0.197 1.00 80.98 C +HETATM 107 O HYP A 18 14.489 -7.711 -1.259 1.00 84.84 O +HETATM 108 CB HYP A 18 12.940 -10.425 -0.590 1.00 81.68 C +HETATM 109 CG HYP A 18 11.618 -10.785 -1.259 1.00 80.84 C +HETATM 110 CD HYP A 18 11.261 -9.497 -1.926 1.00 82.82 C +HETATM 111 OD1 HYP A 18 10.628 -11.100 -0.314 1.00 84.54 O +ATOM 112 N GLY A 19 14.713 -8.015 0.956 1.00 85.82 N +ATOM 113 CA GLY A 19 15.966 -7.314 1.039 1.00 84.95 C +ATOM 114 C GLY A 19 17.054 -8.066 0.286 1.00 85.12 C +ATOM 115 O GLY A 19 16.864 -9.203 -0.143 1.00 84.39 O +ATOM 116 N PRO A 20 18.219 -7.434 0.148 1.00 80.22 N +ATOM 117 CA PRO A 20 19.318 -8.077 -0.564 1.00 81.16 C +ATOM 118 C PRO A 20 19.893 -9.234 0.234 1.00 80.21 C +ATOM 119 O PRO A 20 19.705 -9.328 1.446 1.00 78.84 O +ATOM 120 CB PRO A 20 20.330 -6.946 -0.733 1.00 78.60 C +ATOM 121 CG PRO A 20 20.063 -6.057 0.426 1.00 76.47 C +ATOM 122 CD PRO A 20 18.568 -6.101 0.633 1.00 76.80 C +HETATM 123 N HYP A 21 20.589 -10.118 -0.411 1.00 89.25 N +HETATM 124 CA HYP A 21 21.265 -11.217 0.225 1.00 87.46 C +HETATM 125 C HYP A 21 22.331 -10.724 1.222 1.00 85.59 C +HETATM 126 O HYP A 21 22.899 -9.659 1.022 1.00 87.44 O +HETATM 127 CB HYP A 21 21.956 -11.964 -0.932 1.00 85.68 C +HETATM 128 CG HYP A 21 21.122 -11.633 -2.152 1.00 83.32 C +HETATM 129 CD HYP A 21 20.697 -10.208 -1.863 1.00 86.72 C +HETATM 130 OD1 HYP A 21 19.963 -12.443 -2.224 1.00 84.81 O +ATOM 131 N GLY A 22 22.518 -11.430 2.279 1.00 83.82 N +ATOM 132 CA GLY A 22 23.540 -11.105 3.238 1.00 82.49 C +ATOM 133 C GLY A 22 24.921 -11.268 2.621 1.00 82.22 C +ATOM 134 O GLY A 22 25.068 -11.751 1.497 1.00 80.85 O +ATOM 135 N PRO A 23 25.963 -10.895 3.362 1.00 81.90 N +ATOM 136 CA PRO A 23 27.316 -11.020 2.834 1.00 83.76 C +ATOM 137 C PRO A 23 27.713 -12.482 2.706 1.00 82.84 C +ATOM 138 O PRO A 23 27.154 -13.357 3.362 1.00 79.36 O +ATOM 139 CB PRO A 23 28.169 -10.281 3.869 1.00 79.72 C +ATOM 140 CG PRO A 23 27.383 -10.388 5.120 1.00 76.77 C +ATOM 141 CD PRO A 23 25.937 -10.347 4.711 1.00 77.64 C +HETATM 142 N HYP A 24 28.691 -12.795 1.923 1.00 84.28 N +HETATM 143 CA HYP A 24 29.125 -14.174 1.779 1.00 82.63 C +HETATM 144 C HYP A 24 29.518 -14.741 3.061 1.00 81.55 C +HETATM 145 O HYP A 24 30.228 -14.049 3.807 1.00 80.09 O +HETATM 146 CB HYP A 24 30.297 -14.109 0.780 1.00 83.57 C +HETATM 147 CG HYP A 24 30.111 -12.826 0.032 1.00 81.20 C +HETATM 148 CD HYP A 24 29.425 -11.911 1.063 1.00 83.66 C +HETATM 149 OD1 HYP A 24 29.213 -13.039 -1.046 1.00 80.99 O +HETATM 150 OXT HYP A 24 29.114 -15.892 3.312 1.00 77.68 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_490.txt b/protein_pdb_490.txt new file mode 100644 index 0000000000000000000000000000000000000000..c6b6602d3f9d9234c324856d949d5bd9f2e2b4c1 --- /dev/null +++ b/protein_pdb_490.txt @@ -0,0 +1,229 @@ +ATOM 1 N GLY A 1 -14.097 43.363 3.372 1.00 93.59 N +ATOM 2 CA GLY A 1 -14.777 42.310 2.616 1.00 94.40 C +ATOM 3 C GLY A 1 -14.679 40.960 3.313 1.00 93.90 C +ATOM 4 O GLY A 1 -13.813 40.758 4.168 1.00 90.66 O +ATOM 5 N GLU A 2 -15.550 40.034 2.949 1.00 95.22 N +ATOM 6 CA GLU A 2 -15.564 38.702 3.541 1.00 96.33 C +ATOM 7 C GLU A 2 -14.391 37.874 3.017 1.00 96.44 C +ATOM 8 O GLU A 2 -14.087 37.893 1.828 1.00 94.48 O +ATOM 9 CB GLU A 2 -16.893 38.011 3.206 1.00 93.09 C +ATOM 10 CG GLU A 2 -17.049 36.648 3.849 1.00 82.68 C +ATOM 11 CD GLU A 2 -18.406 36.040 3.528 1.00 78.01 C +ATOM 12 OE1 GLU A 2 -19.432 36.684 3.823 1.00 73.58 O +ATOM 13 OE2 GLU A 2 -18.432 34.931 2.972 1.00 73.53 O +ATOM 14 N ARG A 3 -13.719 37.126 3.911 1.00 95.19 N +ATOM 15 CA ARG A 3 -12.588 36.286 3.524 1.00 96.05 C +ATOM 16 C ARG A 3 -13.098 35.056 2.778 1.00 96.37 C +ATOM 17 O ARG A 3 -14.125 34.480 3.137 1.00 94.55 O +ATOM 18 CB ARG A 3 -11.797 35.868 4.764 1.00 92.60 C +ATOM 19 CG ARG A 3 -10.533 35.076 4.410 1.00 86.35 C +ATOM 20 CD ARG A 3 -9.729 34.782 5.663 1.00 82.54 C +ATOM 21 NE ARG A 3 -8.501 34.057 5.358 1.00 77.02 N +ATOM 22 CZ ARG A 3 -7.574 33.735 6.250 1.00 72.98 C +ATOM 23 NH1 ARG A 3 -7.727 34.067 7.519 1.00 69.63 N +ATOM 24 NH2 ARG A 3 -6.503 33.082 5.873 1.00 67.12 N +ATOM 25 N GLY A 4 -12.388 34.656 1.760 1.00 96.19 N +ATOM 26 CA GLY A 4 -12.780 33.492 0.978 1.00 96.25 C +ATOM 27 C GLY A 4 -12.792 32.226 1.815 1.00 96.71 C +ATOM 28 O GLY A 4 -12.050 32.105 2.798 1.00 96.49 O +ATOM 29 N GLU A 5 -13.621 31.265 1.404 1.00 96.10 N +ATOM 30 CA GLU A 5 -13.735 30.003 2.143 1.00 96.34 C +ATOM 31 C GLU A 5 -12.512 29.121 1.898 1.00 96.80 C +ATOM 32 O GLU A 5 -11.842 29.223 0.866 1.00 95.90 O +ATOM 33 CB GLU A 5 -15.015 29.262 1.743 1.00 94.01 C +ATOM 34 CG GLU A 5 -15.114 28.962 0.254 1.00 85.85 C +ATOM 35 CD GLU A 5 -16.488 28.418 -0.132 1.00 80.32 C +ATOM 36 OE1 GLU A 5 -17.302 28.157 0.777 1.00 76.05 O +ATOM 37 OE2 GLU A 5 -16.745 28.262 -1.338 1.00 75.65 O +ATOM 38 N ARG A 6 -12.214 28.252 2.872 1.00 96.28 N +ATOM 39 CA ARG A 6 -11.064 27.347 2.789 1.00 96.86 C +ATOM 40 C ARG A 6 -11.278 26.313 1.691 1.00 97.08 C +ATOM 41 O ARG A 6 -12.390 25.836 1.478 1.00 95.49 O +ATOM 42 CB ARG A 6 -10.849 26.656 4.138 1.00 94.69 C +ATOM 43 CG ARG A 6 -9.619 25.757 4.161 1.00 89.72 C +ATOM 44 CD ARG A 6 -9.455 25.125 5.529 1.00 84.57 C +ATOM 45 NE ARG A 6 -8.298 24.235 5.583 1.00 78.81 N +ATOM 46 CZ ARG A 6 -7.938 23.536 6.648 1.00 74.31 C +ATOM 47 NH1 ARG A 6 -8.647 23.620 7.756 1.00 70.87 N +ATOM 48 NH2 ARG A 6 -6.886 22.765 6.597 1.00 68.82 N +ATOM 49 N GLY A 7 -10.227 25.944 1.001 1.00 96.29 N +ATOM 50 CA GLY A 7 -10.314 24.941 -0.052 1.00 96.19 C +ATOM 51 C GLY A 7 -10.663 23.566 0.505 1.00 96.54 C +ATOM 52 O GLY A 7 -10.487 23.303 1.695 1.00 96.57 O +ATOM 53 N GLU A 8 -11.155 22.690 -0.381 1.00 96.44 N +ATOM 54 CA GLU A 8 -11.523 21.338 0.012 1.00 96.73 C +ATOM 55 C GLU A 8 -10.301 20.533 0.431 1.00 96.95 C +ATOM 56 O GLU A 8 -9.201 20.743 -0.062 1.00 95.88 O +ATOM 57 CB GLU A 8 -12.218 20.594 -1.138 1.00 94.85 C +ATOM 58 CG GLU A 8 -13.658 21.023 -1.369 1.00 87.37 C +ATOM 59 CD GLU A 8 -14.304 20.191 -2.462 1.00 81.39 C +ATOM 60 OE1 GLU A 8 -13.957 20.399 -3.640 1.00 77.04 O +ATOM 61 OE2 GLU A 8 -15.131 19.318 -2.137 1.00 76.62 O +ATOM 62 N LYS A 9 -10.510 19.584 1.346 1.00 95.83 N +ATOM 63 CA LYS A 9 -9.431 18.695 1.779 1.00 96.66 C +ATOM 64 C LYS A 9 -9.104 17.726 0.645 1.00 96.66 C +ATOM 65 O LYS A 9 -9.995 17.233 -0.043 1.00 95.06 O +ATOM 66 CB LYS A 9 -9.865 17.927 3.031 1.00 94.51 C +ATOM 67 CG LYS A 9 -8.766 17.020 3.588 1.00 88.45 C +ATOM 68 CD LYS A 9 -9.230 16.335 4.862 1.00 84.05 C +ATOM 69 CE LYS A 9 -8.146 15.423 5.423 1.00 76.78 C +ATOM 70 NZ LYS A 9 -8.580 14.767 6.675 1.00 71.73 N +ATOM 71 N GLY A 10 -7.831 17.438 0.462 1.00 96.18 N +ATOM 72 CA GLY A 10 -7.413 16.507 -0.575 1.00 95.50 C +ATOM 73 C GLY A 10 -7.953 15.104 -0.318 1.00 95.75 C +ATOM 74 O GLY A 10 -8.204 14.731 0.826 1.00 95.82 O +ATOM 75 N GLU A 11 -8.125 14.350 -1.406 1.00 96.23 N +ATOM 76 CA GLU A 11 -8.640 12.991 -1.283 1.00 96.34 C +ATOM 77 C GLU A 11 -7.591 12.061 -0.681 1.00 96.33 C +ATOM 78 O GLU A 11 -6.382 12.311 -0.763 1.00 95.24 O +ATOM 79 CB GLU A 11 -9.106 12.470 -2.647 1.00 94.54 C +ATOM 80 CG GLU A 11 -8.001 12.403 -3.692 1.00 87.91 C +ATOM 81 CD GLU A 11 -8.541 12.011 -5.062 1.00 81.61 C +ATOM 82 OE1 GLU A 11 -9.757 12.126 -5.280 1.00 76.76 O +ATOM 83 OE2 GLU A 11 -7.743 11.588 -5.917 1.00 76.60 O +ATOM 84 N ARG A 12 -8.054 10.963 -0.057 1.00 95.98 N +ATOM 85 CA ARG A 12 -7.165 9.997 0.582 1.00 96.77 C +ATOM 86 C ARG A 12 -6.281 9.318 -0.458 1.00 96.15 C +ATOM 87 O ARG A 12 -6.714 9.035 -1.570 1.00 93.48 O +ATOM 88 CB ARG A 12 -7.993 8.941 1.332 1.00 95.10 C +ATOM 89 CG ARG A 12 -7.132 7.924 2.070 1.00 91.40 C +ATOM 90 CD ARG A 12 -8.005 6.926 2.798 1.00 86.24 C +ATOM 91 NE ARG A 12 -7.210 5.902 3.484 1.00 80.61 N +ATOM 92 CZ ARG A 12 -7.712 4.890 4.169 1.00 76.05 C +ATOM 93 NH1 ARG A 12 -9.017 4.745 4.266 1.00 73.02 N +ATOM 94 NH2 ARG A 12 -6.912 4.021 4.744 1.00 70.98 N +ATOM 95 N GLY A 13 -5.054 9.052 -0.090 1.00 96.35 N +ATOM 96 CA GLY A 13 -4.127 8.368 -0.977 1.00 95.55 C +ATOM 97 C GLY A 13 -4.556 6.935 -1.250 1.00 95.82 C +ATOM 98 O GLY A 13 -5.317 6.339 -0.483 1.00 95.82 O +ATOM 99 N GLU A 14 -4.058 6.383 -2.366 1.00 96.45 N +ATOM 100 CA GLU A 14 -4.374 5.013 -2.770 1.00 96.66 C +ATOM 101 C GLU A 14 -3.797 4.013 -1.766 1.00 96.84 C +ATOM 102 O GLU A 14 -2.731 4.226 -1.200 1.00 95.58 O +ATOM 103 CB GLU A 14 -3.798 4.756 -4.172 1.00 94.95 C +ATOM 104 CG GLU A 14 -4.355 3.535 -4.856 1.00 87.18 C +ATOM 105 CD GLU A 14 -3.863 3.437 -6.300 1.00 81.28 C +ATOM 106 OE1 GLU A 14 -2.686 3.787 -6.553 1.00 77.49 O +ATOM 107 OE2 GLU A 14 -4.633 3.022 -7.164 1.00 77.25 O +ATOM 108 N GLN A 15 -4.521 2.899 -1.544 1.00 96.88 N +ATOM 109 CA GLN A 15 -4.039 1.861 -0.630 1.00 97.27 C +ATOM 110 C GLN A 15 -2.789 1.206 -1.210 1.00 97.09 C +ATOM 111 O GLN A 15 -2.692 0.980 -2.417 1.00 95.08 O +ATOM 112 CB GLN A 15 -5.125 0.811 -0.398 1.00 96.20 C +ATOM 113 CG GLN A 15 -4.690 -0.276 0.588 1.00 90.32 C +ATOM 114 CD GLN A 15 -5.800 -1.254 0.913 1.00 84.35 C +ATOM 115 OE1 GLN A 15 -6.950 -1.068 0.522 1.00 82.86 O +ATOM 116 NE2 GLN A 15 -5.478 -2.318 1.633 1.00 79.07 N +ATOM 117 N GLY A 16 -1.833 0.906 -0.340 1.00 97.67 N +ATOM 118 CA GLY A 16 -0.605 0.268 -0.784 1.00 97.20 C +ATOM 119 C GLY A 16 -0.862 -1.121 -1.355 1.00 97.24 C +ATOM 120 O GLY A 16 -1.825 -1.798 -0.973 1.00 96.90 O +ATOM 121 N ARG A 17 -0.001 -1.549 -2.279 1.00 97.19 N +ATOM 122 CA ARG A 17 -0.118 -2.867 -2.904 1.00 96.87 C +ATOM 123 C ARG A 17 0.440 -3.939 -1.974 1.00 96.92 C +ATOM 124 O ARG A 17 1.240 -3.660 -1.089 1.00 96.24 O +ATOM 125 CB ARG A 17 0.656 -2.890 -4.230 1.00 94.73 C +ATOM 126 CG ARG A 17 0.089 -1.946 -5.273 1.00 88.13 C +ATOM 127 CD ARG A 17 0.989 -1.889 -6.489 1.00 84.37 C +ATOM 128 NE ARG A 17 0.502 -0.933 -7.483 1.00 77.39 N +ATOM 129 CZ ARG A 17 1.270 -0.307 -8.366 1.00 73.65 C +ATOM 130 NH1 ARG A 17 2.570 -0.518 -8.414 1.00 69.54 N +ATOM 131 NH2 ARG A 17 0.729 0.549 -9.222 1.00 68.22 N +ATOM 132 N ASP A 18 0.012 -5.198 -2.201 1.00 97.36 N +ATOM 133 CA ASP A 18 0.535 -6.320 -1.427 1.00 97.67 C +ATOM 134 C ASP A 18 2.028 -6.471 -1.700 1.00 97.80 C +ATOM 135 O ASP A 18 2.506 -6.172 -2.791 1.00 97.34 O +ATOM 136 CB ASP A 18 -0.164 -7.625 -1.815 1.00 96.56 C +ATOM 137 CG ASP A 18 -1.612 -7.687 -1.363 1.00 93.49 C +ATOM 138 OD1 ASP A 18 -1.998 -6.907 -0.464 1.00 90.62 O +ATOM 139 OD2 ASP A 18 -2.362 -8.520 -1.899 1.00 89.51 O +ATOM 140 N GLY A 19 2.756 -6.934 -0.691 1.00 98.07 N +ATOM 141 CA GLY A 19 4.187 -7.145 -0.848 1.00 98.02 C +ATOM 142 C GLY A 19 4.469 -8.322 -1.769 1.00 98.23 C +ATOM 143 O GLY A 19 3.591 -9.160 -2.007 1.00 98.08 O +ATOM 144 N PRO A 20 5.697 -8.415 -2.299 1.00 97.83 N +ATOM 145 CA PRO A 20 6.072 -9.512 -3.191 1.00 97.88 C +ATOM 146 C PRO A 20 6.196 -10.826 -2.425 1.00 98.10 C +ATOM 147 O PRO A 20 6.401 -10.829 -1.219 1.00 97.88 O +ATOM 148 CB PRO A 20 7.426 -9.073 -3.756 1.00 96.74 C +ATOM 149 CG PRO A 20 7.994 -8.194 -2.694 1.00 94.86 C +ATOM 150 CD PRO A 20 6.799 -7.470 -2.107 1.00 96.84 C +HETATM 151 N HYP A 21 6.107 -11.938 -3.111 1.00 97.65 N +HETATM 152 CA HYP A 21 6.323 -13.240 -2.574 1.00 97.49 C +HETATM 153 C HYP A 21 7.726 -13.393 -1.983 1.00 97.89 C +HETATM 154 O HYP A 21 8.649 -12.735 -2.498 1.00 97.07 O +HETATM 155 CB HYP A 21 6.161 -14.203 -3.776 1.00 96.53 C +HETATM 156 CG HYP A 21 5.310 -13.436 -4.739 1.00 95.81 C +HETATM 157 CD HYP A 21 5.724 -12.020 -4.537 1.00 96.57 C +HETATM 158 OD1 HYP A 21 3.950 -13.559 -4.478 1.00 94.74 O +ATOM 159 N GLY A 22 7.868 -14.170 -0.969 1.00 98.14 N +ATOM 160 CA GLY A 22 9.172 -14.387 -0.400 1.00 98.09 C +ATOM 161 C GLY A 22 10.052 -15.190 -1.352 1.00 98.12 C +ATOM 162 O GLY A 22 9.564 -15.758 -2.327 1.00 98.02 O +ATOM 163 N PRO A 23 11.365 -15.254 -1.063 1.00 97.50 N +ATOM 164 CA PRO A 23 12.290 -15.985 -1.918 1.00 97.56 C +ATOM 165 C PRO A 23 12.049 -17.487 -1.846 1.00 97.74 C +ATOM 166 O PRO A 23 11.521 -17.987 -0.853 1.00 97.33 O +ATOM 167 CB PRO A 23 13.663 -15.612 -1.362 1.00 96.41 C +ATOM 168 CG PRO A 23 13.395 -15.273 0.064 1.00 94.70 C +ATOM 169 CD PRO A 23 12.036 -14.624 0.061 1.00 96.78 C +HETATM 170 N HYP A 24 12.466 -18.193 -2.840 1.00 97.49 N +HETATM 171 CA HYP A 24 12.378 -19.653 -2.883 1.00 96.76 C +HETATM 172 C HYP A 24 13.226 -20.284 -1.750 1.00 97.17 C +HETATM 173 O HYP A 24 14.262 -19.724 -1.397 1.00 96.65 O +HETATM 174 CB HYP A 24 13.052 -20.012 -4.246 1.00 95.17 C +HETATM 175 CG HYP A 24 12.938 -18.771 -5.094 1.00 94.81 C +HETATM 176 CD HYP A 24 13.012 -17.648 -4.099 1.00 96.20 C +HETATM 177 OD1 HYP A 24 11.714 -18.699 -5.757 1.00 93.67 O +ATOM 178 N GLY A 25 12.740 -21.394 -1.233 1.00 97.03 N +ATOM 179 CA GLY A 25 13.477 -22.080 -0.200 1.00 96.88 C +ATOM 180 C GLY A 25 14.753 -22.685 -0.762 1.00 96.92 C +ATOM 181 O GLY A 25 14.925 -22.784 -1.981 1.00 96.81 O +ATOM 182 N PRO A 26 15.666 -23.126 0.112 1.00 96.84 N +ATOM 183 CA PRO A 26 16.925 -23.710 -0.336 1.00 96.79 C +ATOM 184 C PRO A 26 16.698 -25.065 -0.998 1.00 96.84 C +ATOM 185 O PRO A 26 15.719 -25.749 -0.719 1.00 96.15 O +ATOM 186 CB PRO A 26 17.736 -23.840 0.952 1.00 95.36 C +ATOM 187 CG PRO A 26 16.707 -23.942 2.021 1.00 93.77 C +ATOM 188 CD PRO A 26 15.574 -23.057 1.565 1.00 96.22 C +HETATM 189 N HYP A 27 17.630 -25.478 -1.826 1.00 96.77 N +HETATM 190 CA HYP A 27 17.560 -26.787 -2.479 1.00 95.98 C +HETATM 191 C HYP A 27 17.706 -27.913 -1.451 1.00 96.58 C +HETATM 192 O HYP A 27 18.358 -27.736 -0.438 1.00 96.14 O +HETATM 193 CB HYP A 27 18.880 -26.798 -3.358 1.00 94.69 C +HETATM 194 CG HYP A 27 19.242 -25.355 -3.590 1.00 93.11 C +HETATM 195 CD HYP A 27 18.778 -24.667 -2.317 1.00 95.10 C +HETATM 196 OD1 HYP A 27 18.544 -24.819 -4.687 1.00 91.98 O +ATOM 197 N GLY A 28 17.065 -29.032 -1.760 1.00 95.91 N +ATOM 198 CA GLY A 28 17.185 -30.175 -0.891 1.00 96.05 C +ATOM 199 C GLY A 28 18.591 -30.743 -0.944 1.00 96.40 C +ATOM 200 O GLY A 28 19.395 -30.353 -1.793 1.00 96.27 O +ATOM 201 N PRO A 29 18.921 -31.683 -0.053 1.00 95.93 N +ATOM 202 CA PRO A 29 20.257 -32.275 -0.041 1.00 95.87 C +ATOM 203 C PRO A 29 20.516 -33.071 -1.309 1.00 95.60 C +ATOM 204 O PRO A 29 19.586 -33.590 -1.921 1.00 94.42 O +ATOM 205 CB PRO A 29 20.250 -33.160 1.203 1.00 94.00 C +ATOM 206 CG PRO A 29 18.809 -33.454 1.434 1.00 92.40 C +ATOM 207 CD PRO A 29 18.070 -32.222 0.996 1.00 95.15 C +HETATM 208 N HYP A 30 21.785 -33.245 -1.694 1.00 95.68 N +HETATM 209 CA HYP A 30 22.139 -33.957 -2.894 1.00 94.97 C +HETATM 210 C HYP A 30 21.802 -35.429 -2.781 1.00 94.87 C +HETATM 211 O HYP A 30 21.919 -36.016 -1.712 1.00 93.67 O +HETATM 212 CB HYP A 30 23.732 -33.843 -2.905 1.00 92.75 C +HETATM 213 CG HYP A 30 24.073 -32.655 -2.073 1.00 91.12 C +HETATM 214 CD HYP A 30 22.949 -32.603 -1.053 1.00 93.61 C +HETATM 215 OD1 HYP A 30 24.051 -31.477 -2.848 1.00 87.90 O +ATOM 216 N GLY A 31 21.347 -36.009 -3.953 1.00 90.56 N +ATOM 217 CA GLY A 31 21.059 -37.421 -4.002 1.00 89.56 C +ATOM 218 C GLY A 31 22.348 -38.221 -3.951 1.00 87.83 C +ATOM 219 O GLY A 31 23.431 -37.694 -4.207 1.00 84.29 O +ATOM 220 N VAL A 32 22.238 -39.500 -3.628 1.00 92.93 N +ATOM 221 CA VAL A 32 23.396 -40.378 -3.562 1.00 91.83 C +ATOM 222 C VAL A 32 23.239 -41.554 -4.530 1.00 87.48 C +ATOM 223 O VAL A 32 22.152 -41.738 -5.093 1.00 83.19 O +ATOM 224 CB VAL A 32 23.632 -40.885 -2.116 1.00 86.65 C +ATOM 225 CG1 VAL A 32 23.979 -39.732 -1.201 1.00 79.47 C +ATOM 226 CG2 VAL A 32 22.407 -41.640 -1.606 1.00 80.95 C +ATOM 227 OXT VAL A 32 24.218 -42.282 -4.763 1.00 78.40 O +TER 228 VAL A 32 +END diff --git a/protein_pdb_491.txt b/protein_pdb_491.txt new file mode 100644 index 0000000000000000000000000000000000000000..d6d586e8784c007420e69604030dcdade17f33d5 --- /dev/null +++ b/protein_pdb_491.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -2.827 6.471 -1.973 1.00 67.04 N +ATOM 2 CA GLY A 1 -1.576 5.861 -1.564 1.00 71.44 C +ATOM 3 C GLY A 1 -1.441 4.458 -2.103 1.00 74.02 C +ATOM 4 O GLY A 1 -2.374 3.929 -2.710 1.00 70.11 O +ATOM 5 N PRO A 2 -0.286 3.845 -1.877 1.00 71.13 N +ATOM 6 CA PRO A 2 -0.063 2.495 -2.362 1.00 74.69 C +ATOM 7 C PRO A 2 -0.854 1.480 -1.545 1.00 74.71 C +ATOM 8 O PRO A 2 -1.304 1.772 -0.442 1.00 71.78 O +ATOM 9 CB PRO A 2 1.438 2.303 -2.171 1.00 70.99 C +ATOM 10 CG PRO A 2 1.756 3.163 -0.998 1.00 65.86 C +ATOM 11 CD PRO A 2 0.862 4.367 -1.140 1.00 65.70 C +HETATM 12 N HYP A 3 -1.024 0.304 -2.075 1.00 74.25 N +HETATM 13 CA HYP A 3 -1.639 -0.765 -1.371 1.00 78.65 C +HETATM 14 C HYP A 3 -0.907 -1.088 -0.047 1.00 74.09 C +HETATM 15 O HYP A 3 0.338 -0.956 0.044 1.00 76.71 O +HETATM 16 CB HYP A 3 -1.492 -1.922 -2.387 1.00 73.81 C +HETATM 17 CG HYP A 3 -1.525 -1.241 -3.710 1.00 70.93 C +HETATM 18 CD HYP A 3 -0.672 -0.041 -3.444 1.00 71.72 C +HETATM 19 OD1 HYP A 3 -2.821 -0.822 -4.057 1.00 75.30 O +ATOM 20 N GLY A 4 -1.679 -1.395 0.938 1.00 79.10 N +ATOM 21 CA GLY A 4 -1.107 -1.725 2.215 1.00 76.78 C +ATOM 22 C GLY A 4 -0.323 -3.023 2.143 1.00 75.81 C +ATOM 23 O GLY A 4 -0.336 -3.714 1.129 1.00 74.24 O +ATOM 24 N PRO A 5 0.356 -3.347 3.229 1.00 77.20 N +ATOM 25 CA PRO A 5 1.125 -4.577 3.250 1.00 76.06 C +ATOM 26 C PRO A 5 0.200 -5.787 3.275 1.00 75.84 C +ATOM 27 O PRO A 5 -0.971 -5.683 3.625 1.00 72.66 O +ATOM 28 CB PRO A 5 1.933 -4.466 4.538 1.00 72.19 C +ATOM 29 CG PRO A 5 1.073 -3.624 5.419 1.00 70.67 C +ATOM 30 CD PRO A 5 0.435 -2.625 4.499 1.00 71.95 C +HETATM 31 N HYP A 6 0.774 -6.928 2.941 1.00 78.56 N +HETATM 32 CA HYP A 6 0.010 -8.139 3.028 1.00 79.36 C +HETATM 33 C HYP A 6 -0.445 -8.439 4.451 1.00 77.19 C +HETATM 34 O HYP A 6 0.303 -8.163 5.410 1.00 77.33 O +HETATM 35 CB HYP A 6 1.009 -9.204 2.547 1.00 75.44 C +HETATM 36 CG HYP A 6 1.888 -8.429 1.584 1.00 76.69 C +HETATM 37 CD HYP A 6 2.041 -7.093 2.254 1.00 78.32 C +HETATM 38 OD1 HYP A 6 1.272 -8.236 0.344 1.00 76.41 O +ATOM 39 N GLY A 7 -1.676 -8.838 4.571 1.00 74.00 N +ATOM 40 CA GLY A 7 -2.200 -9.176 5.868 1.00 70.46 C +ATOM 41 C GLY A 7 -1.651 -10.512 6.334 1.00 71.42 C +ATOM 42 O GLY A 7 -0.869 -11.160 5.635 1.00 70.68 O +ATOM 43 N PRO A 8 -2.068 -10.933 7.502 1.00 71.50 N +ATOM 44 CA PRO A 8 -1.655 -12.240 7.988 1.00 72.66 C +ATOM 45 C PRO A 8 -2.289 -13.332 7.127 1.00 72.13 C +ATOM 46 O PRO A 8 -3.197 -13.074 6.336 1.00 70.45 O +ATOM 47 CB PRO A 8 -2.169 -12.269 9.426 1.00 69.85 C +ATOM 48 CG PRO A 8 -3.300 -11.311 9.431 1.00 69.45 C +ATOM 49 CD PRO A 8 -2.952 -10.244 8.431 1.00 70.34 C +HETATM 50 N HYP A 9 -1.772 -14.564 7.303 1.00 68.95 N +HETATM 51 CA HYP A 9 -2.337 -15.662 6.585 1.00 74.29 C +HETATM 52 C HYP A 9 -3.778 -15.711 6.578 1.00 68.35 C +HETATM 53 O HYP A 9 -4.386 -15.508 7.659 1.00 69.15 O +HETATM 54 CB HYP A 9 -1.582 -16.868 7.166 1.00 72.04 C +HETATM 55 CG HYP A 9 -0.262 -16.299 7.651 1.00 70.70 C +HETATM 56 CD HYP A 9 -0.643 -14.921 8.109 1.00 72.00 C +HETATM 57 OD1 HYP A 9 0.679 -16.177 6.637 1.00 67.72 O +ATOM 58 N GLY A 10 -4.483 -15.804 5.387 1.00 69.50 N +ATOM 59 CA GLY A 10 -5.915 -15.862 5.234 1.00 66.09 C +ATOM 60 C GLY A 10 -6.609 -14.514 5.178 1.00 66.35 C +ATOM 61 O GLY A 10 -7.827 -14.468 5.051 1.00 64.72 O +ATOM 62 N HIS A 11 -5.867 -13.410 5.262 1.00 74.51 N +ATOM 63 CA HIS A 11 -6.449 -12.069 5.264 1.00 77.38 C +ATOM 64 C HIS A 11 -5.660 -11.163 4.336 1.00 77.06 C +ATOM 65 O HIS A 11 -4.432 -11.177 4.354 1.00 73.25 O +ATOM 66 CB HIS A 11 -6.372 -11.434 6.660 1.00 73.50 C +ATOM 67 CG HIS A 11 -7.023 -12.211 7.747 1.00 71.59 C +ATOM 68 ND1 HIS A 11 -8.279 -11.923 8.242 1.00 67.48 N +ATOM 69 CD2 HIS A 11 -6.582 -13.273 8.450 1.00 65.22 C +ATOM 70 CE1 HIS A 11 -8.565 -12.779 9.195 1.00 66.15 C +ATOM 71 NE2 HIS A 11 -7.558 -13.605 9.352 1.00 66.57 N +ATOM 72 N ASP A 12 -6.362 -10.343 3.576 1.00 74.70 N +ATOM 73 CA ASP A 12 -5.691 -9.289 2.822 1.00 76.09 C +ATOM 74 C ASP A 12 -5.356 -8.170 3.791 1.00 77.12 C +ATOM 75 O ASP A 12 -6.083 -7.929 4.751 1.00 72.20 O +ATOM 76 CB ASP A 12 -6.604 -8.740 1.728 1.00 71.65 C +ATOM 77 CG ASP A 12 -6.760 -9.674 0.549 1.00 66.60 C +ATOM 78 OD1 ASP A 12 -5.967 -10.620 0.412 1.00 65.42 O +ATOM 79 OD2 ASP A 12 -7.687 -9.437 -0.254 1.00 61.56 O +ATOM 80 N GLY A 13 -4.264 -7.484 3.508 1.00 77.19 N +ATOM 81 CA GLY A 13 -3.903 -6.345 4.328 1.00 75.14 C +ATOM 82 C GLY A 13 -4.841 -5.183 4.083 1.00 76.24 C +ATOM 83 O GLY A 13 -5.606 -5.174 3.111 1.00 75.31 O +ATOM 84 N PRO A 14 -4.814 -4.185 4.958 1.00 75.92 N +ATOM 85 CA PRO A 14 -5.661 -3.014 4.770 1.00 76.75 C +ATOM 86 C PRO A 14 -5.109 -2.147 3.645 1.00 76.82 C +ATOM 87 O PRO A 14 -3.967 -2.289 3.234 1.00 72.97 O +ATOM 88 CB PRO A 14 -5.566 -2.295 6.113 1.00 72.86 C +ATOM 89 CG PRO A 14 -4.202 -2.642 6.599 1.00 71.37 C +ATOM 90 CD PRO A 14 -3.985 -4.069 6.170 1.00 71.11 C +HETATM 91 N HYP A 15 -5.930 -1.234 3.172 1.00 74.75 N +HETATM 92 CA HYP A 15 -5.484 -0.280 2.216 1.00 73.25 C +HETATM 93 C HYP A 15 -4.316 0.525 2.744 1.00 74.87 C +HETATM 94 O HYP A 15 -4.229 0.729 3.969 1.00 76.99 O +HETATM 95 CB HYP A 15 -6.731 0.558 2.007 1.00 74.19 C +HETATM 96 CG HYP A 15 -7.837 -0.425 2.247 1.00 73.98 C +HETATM 97 CD HYP A 15 -7.345 -1.197 3.414 1.00 78.87 C +HETATM 98 OD1 HYP A 15 -8.036 -1.259 1.150 1.00 74.80 O +ATOM 99 N GLY A 16 -3.452 0.931 1.881 1.00 76.12 N +ATOM 100 CA GLY A 16 -2.334 1.732 2.293 1.00 72.25 C +ATOM 101 C GLY A 16 -2.780 3.105 2.741 1.00 73.44 C +ATOM 102 O GLY A 16 -3.953 3.467 2.623 1.00 72.96 O +ATOM 103 N PRO A 17 -1.832 3.896 3.252 1.00 70.23 N +ATOM 104 CA PRO A 17 -2.176 5.237 3.692 1.00 70.88 C +ATOM 105 C PRO A 17 -2.545 6.119 2.509 1.00 70.03 C +ATOM 106 O PRO A 17 -2.195 5.827 1.370 1.00 68.56 O +ATOM 107 CB PRO A 17 -0.898 5.725 4.383 1.00 68.99 C +ATOM 108 CG PRO A 17 0.184 4.938 3.739 1.00 67.35 C +ATOM 109 CD PRO A 17 -0.408 3.594 3.432 1.00 66.55 C +HETATM 110 N HYP A 18 -3.209 7.186 2.753 1.00 71.68 N +HETATM 111 CA HYP A 18 -3.540 8.146 1.751 1.00 76.59 C +HETATM 112 C HYP A 18 -2.310 8.677 1.049 1.00 71.39 C +HETATM 113 O HYP A 18 -1.233 8.788 1.667 1.00 74.11 O +HETATM 114 CB HYP A 18 -4.280 9.178 2.525 1.00 67.94 C +HETATM 115 CG HYP A 18 -4.918 8.408 3.651 1.00 67.89 C +HETATM 116 CD HYP A 18 -3.852 7.425 4.014 1.00 76.31 C +HETATM 117 OD1 HYP A 18 -6.064 7.716 3.234 1.00 72.80 O +ATOM 118 N GLY A 19 -2.436 8.959 -0.222 1.00 69.53 N +ATOM 119 CA GLY A 19 -1.353 9.514 -0.984 1.00 65.89 C +ATOM 120 C GLY A 19 -0.979 10.892 -0.481 1.00 66.60 C +ATOM 121 O GLY A 19 -1.642 11.458 0.389 1.00 67.95 O +ATOM 122 N PRO A 20 0.086 11.448 -1.033 1.00 66.72 N +ATOM 123 CA PRO A 20 0.532 12.761 -0.601 1.00 69.59 C +ATOM 124 C PRO A 20 -0.442 13.847 -1.024 1.00 69.70 C +ATOM 125 O PRO A 20 -1.261 13.652 -1.916 1.00 69.24 O +ATOM 126 CB PRO A 20 1.887 12.917 -1.295 1.00 66.20 C +ATOM 127 CG PRO A 20 1.753 12.075 -2.520 1.00 62.39 C +ATOM 128 CD PRO A 20 0.923 10.898 -2.096 1.00 62.54 C +HETATM 129 N HYP A 21 -0.353 15.012 -0.420 1.00 71.95 N +HETATM 130 CA HYP A 21 -1.155 16.122 -0.767 1.00 72.89 C +HETATM 131 C HYP A 21 -0.963 16.593 -2.190 1.00 67.28 C +HETATM 132 O HYP A 21 0.193 16.512 -2.697 1.00 76.53 O +HETATM 133 CB HYP A 21 -0.645 17.211 0.193 1.00 68.58 C +HETATM 134 CG HYP A 21 -0.071 16.466 1.393 1.00 66.14 C +HETATM 135 CD HYP A 21 0.526 15.242 0.742 1.00 72.35 C +HETATM 136 OD1 HYP A 21 -1.123 16.045 2.258 1.00 73.00 O +ATOM 137 N GLY A 22 -1.997 16.941 -2.866 1.00 65.94 N +ATOM 138 CA GLY A 22 -1.892 17.471 -4.196 1.00 62.46 C +ATOM 139 C GLY A 22 -1.190 18.820 -4.181 1.00 61.70 C +ATOM 140 O GLY A 22 -0.937 19.389 -3.118 1.00 63.05 O +ATOM 141 N PRO A 23 -0.886 19.356 -5.349 1.00 66.04 N +ATOM 142 CA PRO A 23 -0.214 20.649 -5.402 1.00 70.37 C +ATOM 143 C PRO A 23 -1.168 21.757 -5.004 1.00 69.60 C +ATOM 144 O PRO A 23 -2.385 21.622 -5.117 1.00 67.24 O +ATOM 145 CB PRO A 23 0.219 20.764 -6.858 1.00 64.91 C +ATOM 146 CG PRO A 23 -0.768 19.937 -7.596 1.00 59.60 C +ATOM 147 CD PRO A 23 -1.107 18.793 -6.674 1.00 61.43 C +HETATM 148 N HYP A 24 -0.592 22.888 -4.573 1.00 73.75 N +HETATM 149 CA HYP A 24 -1.523 23.999 -4.271 1.00 69.84 C +HETATM 150 C HYP A 24 -1.940 24.587 -5.649 1.00 69.57 C +HETATM 151 O HYP A 24 -2.594 25.561 -5.721 1.00 76.46 O +HETATM 152 CB HYP A 24 -0.495 25.045 -3.651 1.00 68.18 C +HETATM 153 CG HYP A 24 0.705 24.296 -3.138 1.00 70.24 C +HETATM 154 CD HYP A 24 0.811 23.095 -4.111 1.00 75.34 C +HETATM 155 OD1 HYP A 24 0.429 23.805 -1.843 1.00 74.39 O +HETATM 156 OXT HYP A 24 -1.571 24.006 -6.651 1.00 73.76 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_492.txt b/protein_pdb_492.txt new file mode 100644 index 0000000000000000000000000000000000000000..25b9b15c4b675765e4322f94461376a97bc8ef9b --- /dev/null +++ b/protein_pdb_492.txt @@ -0,0 +1,237 @@ +ATOM 1 N GLY A 1 7.102 -31.851 36.410 1.00 92.40 N +ATOM 2 CA GLY A 1 7.336 -31.938 34.968 1.00 93.51 C +ATOM 3 C GLY A 1 8.095 -30.726 34.466 1.00 93.59 C +ATOM 4 O GLY A 1 8.218 -29.728 35.180 1.00 91.44 O +ATOM 5 N ILE A 2 8.621 -30.809 33.246 1.00 97.08 N +ATOM 6 CA ILE A 2 9.356 -29.696 32.655 1.00 96.54 C +ATOM 7 C ILE A 2 8.378 -28.704 32.023 1.00 96.58 C +ATOM 8 O ILE A 2 7.253 -29.056 31.662 1.00 95.56 O +ATOM 9 CB ILE A 2 10.369 -30.181 31.595 1.00 93.87 C +ATOM 10 CG1 ILE A 2 9.663 -30.933 30.461 1.00 85.53 C +ATOM 11 CG2 ILE A 2 11.426 -31.061 32.252 1.00 83.73 C +ATOM 12 CD1 ILE A 2 10.573 -31.254 29.284 1.00 77.66 C +ATOM 13 N ASN A 3 8.815 -27.444 31.911 1.00 97.43 N +ATOM 14 CA ASN A 3 7.998 -26.428 31.261 1.00 97.18 C +ATOM 15 C ASN A 3 7.882 -26.726 29.770 1.00 97.39 C +ATOM 16 O ASN A 3 8.800 -27.276 29.162 1.00 96.15 O +ATOM 17 CB ASN A 3 8.595 -25.038 31.462 1.00 94.87 C +ATOM 18 CG ASN A 3 8.561 -24.590 32.913 1.00 89.27 C +ATOM 19 OD1 ASN A 3 7.652 -24.940 33.669 1.00 84.30 O +ATOM 20 ND2 ASN A 3 9.535 -23.808 33.323 1.00 80.86 N +ATOM 21 N GLY A 4 6.766 -26.339 29.174 1.00 97.03 N +ATOM 22 CA GLY A 4 6.576 -26.529 27.745 1.00 97.17 C +ATOM 23 C GLY A 4 7.407 -25.563 26.927 1.00 97.57 C +ATOM 24 O GLY A 4 7.903 -24.561 27.445 1.00 97.45 O +ATOM 25 N PHE A 5 7.578 -25.870 25.648 1.00 98.08 N +ATOM 26 CA PHE A 5 8.310 -25.002 24.732 1.00 97.91 C +ATOM 27 C PHE A 5 7.506 -23.755 24.451 1.00 98.37 C +ATOM 28 O PHE A 5 6.281 -23.764 24.498 1.00 98.12 O +ATOM 29 CB PHE A 5 8.592 -25.728 23.419 1.00 96.46 C +ATOM 30 CG PHE A 5 9.661 -26.779 23.528 1.00 91.69 C +ATOM 31 CD1 PHE A 5 11.001 -26.430 23.467 1.00 88.31 C +ATOM 32 CD2 PHE A 5 9.329 -28.117 23.684 1.00 87.21 C +ATOM 33 CE1 PHE A 5 11.993 -27.392 23.567 1.00 86.15 C +ATOM 34 CE2 PHE A 5 10.317 -29.084 23.783 1.00 85.04 C +ATOM 35 CZ PHE A 5 11.650 -28.725 23.723 1.00 85.80 C +HETATM 36 N HYP A 6 8.213 -22.699 24.151 1.00 97.32 N +HETATM 37 CA HYP A 6 7.538 -21.488 23.739 1.00 97.51 C +HETATM 38 C HYP A 6 6.715 -21.637 22.473 1.00 97.49 C +HETATM 39 O HYP A 6 7.107 -22.444 21.620 1.00 96.83 O +HETATM 40 CB HYP A 6 8.671 -20.445 23.503 1.00 97.49 C +HETATM 41 CG HYP A 6 9.833 -20.959 24.272 1.00 97.04 C +HETATM 42 CD HYP A 6 9.658 -22.452 24.260 1.00 96.81 C +HETATM 43 OD1 HYP A 6 9.837 -20.480 25.581 1.00 96.54 O +ATOM 44 N GLY A 7 5.626 -20.879 22.363 1.00 98.44 N +ATOM 45 CA GLY A 7 4.788 -20.953 21.185 1.00 98.16 C +ATOM 46 C GLY A 7 5.516 -20.433 19.953 1.00 98.22 C +ATOM 47 O GLY A 7 6.548 -19.768 20.047 1.00 98.00 O +ATOM 48 N LYS A 8 4.957 -20.750 18.762 1.00 98.27 N +ATOM 49 CA LYS A 8 5.533 -20.297 17.499 1.00 97.93 C +ATOM 50 C LYS A 8 5.360 -18.791 17.332 1.00 97.88 C +ATOM 51 O LYS A 8 4.425 -18.195 17.874 1.00 97.16 O +ATOM 52 CB LYS A 8 4.872 -21.023 16.324 1.00 96.57 C +ATOM 53 CG LYS A 8 5.104 -22.521 16.310 1.00 89.24 C +ATOM 54 CD LYS A 8 4.395 -23.167 15.130 1.00 86.25 C +ATOM 55 CE LYS A 8 4.578 -24.671 15.125 1.00 78.56 C +ATOM 56 NZ LYS A 8 3.861 -25.315 13.996 1.00 73.28 N +ATOM 57 N ASP A 9 6.258 -18.168 16.542 1.00 97.94 N +ATOM 58 CA ASP A 9 6.135 -16.749 16.227 1.00 97.77 C +ATOM 59 C ASP A 9 4.861 -16.509 15.428 1.00 97.60 C +ATOM 60 O ASP A 9 4.392 -17.381 14.694 1.00 96.47 O +ATOM 61 CB ASP A 9 7.333 -16.257 15.410 1.00 96.55 C +ATOM 62 CG ASP A 9 8.628 -16.217 16.207 1.00 92.64 C +ATOM 63 OD1 ASP A 9 8.582 -16.228 17.455 1.00 88.95 O +ATOM 64 OD2 ASP A 9 9.697 -16.166 15.575 1.00 88.29 O +ATOM 65 N GLY A 10 4.299 -15.325 15.569 1.00 97.87 N +ATOM 66 CA GLY A 10 3.125 -14.966 14.789 1.00 97.49 C +ATOM 67 C GLY A 10 3.450 -14.833 13.314 1.00 97.60 C +ATOM 68 O GLY A 10 4.612 -14.706 12.930 1.00 97.66 O +ATOM 69 N ARG A 11 2.424 -14.853 12.482 1.00 97.86 N +ATOM 70 CA ARG A 11 2.590 -14.693 11.041 1.00 97.76 C +ATOM 71 C ARG A 11 3.037 -13.284 10.703 1.00 98.04 C +ATOM 72 O ARG A 11 2.737 -12.336 11.431 1.00 97.53 O +ATOM 73 CB ARG A 11 1.275 -15.014 10.319 1.00 96.26 C +ATOM 74 CG ARG A 11 0.936 -16.487 10.279 1.00 88.64 C +ATOM 75 CD ARG A 11 -0.360 -16.755 9.542 1.00 85.74 C +ATOM 76 NE ARG A 11 -1.485 -16.987 10.451 1.00 78.59 N +ATOM 77 CZ ARG A 11 -2.535 -16.194 10.583 1.00 73.10 C +ATOM 78 NH1 ARG A 11 -2.656 -15.100 9.852 1.00 69.56 N +ATOM 79 NH2 ARG A 11 -3.492 -16.499 11.446 1.00 67.85 N +ATOM 80 N ASP A 12 3.755 -13.149 9.564 1.00 97.96 N +ATOM 81 CA ASP A 12 4.162 -11.831 9.095 1.00 98.29 C +ATOM 82 C ASP A 12 2.930 -10.982 8.800 1.00 98.44 C +ATOM 83 O ASP A 12 1.874 -11.494 8.428 1.00 97.79 O +ATOM 84 CB ASP A 12 5.009 -11.930 7.820 1.00 97.51 C +ATOM 85 CG ASP A 12 6.390 -12.530 8.059 1.00 94.55 C +ATOM 86 OD1 ASP A 12 6.843 -12.565 9.217 1.00 91.28 O +ATOM 87 OD2 ASP A 12 7.015 -12.947 7.068 1.00 90.54 O +ATOM 88 N GLY A 13 3.070 -9.672 8.962 1.00 98.12 N +ATOM 89 CA GLY A 13 1.983 -8.767 8.640 1.00 97.95 C +ATOM 90 C GLY A 13 1.705 -8.746 7.148 1.00 98.02 C +ATOM 91 O GLY A 13 2.536 -9.143 6.339 1.00 97.97 O +ATOM 92 N THR A 14 0.512 -8.267 6.782 1.00 98.13 N +ATOM 93 CA THR A 14 0.142 -8.173 5.377 1.00 98.05 C +ATOM 94 C THR A 14 0.931 -7.068 4.686 1.00 98.17 C +ATOM 95 O THR A 14 1.357 -6.097 5.312 1.00 97.68 O +ATOM 96 CB THR A 14 -1.366 -7.893 5.213 1.00 97.08 C +ATOM 97 OG1 THR A 14 -1.712 -6.692 5.895 1.00 93.70 O +ATOM 98 CG2 THR A 14 -2.187 -9.046 5.774 1.00 91.76 C +ATOM 99 N LYS A 15 1.138 -7.228 3.367 1.00 98.16 N +ATOM 100 CA LYS A 15 1.846 -6.222 2.584 1.00 98.25 C +ATOM 101 C LYS A 15 1.035 -4.929 2.558 1.00 98.19 C +ATOM 102 O LYS A 15 -0.193 -4.954 2.488 1.00 97.45 O +ATOM 103 CB LYS A 15 2.076 -6.740 1.165 1.00 97.49 C +ATOM 104 CG LYS A 15 2.876 -5.794 0.277 1.00 94.80 C +ATOM 105 CD LYS A 15 3.164 -6.407 -1.081 1.00 90.75 C +ATOM 106 CE LYS A 15 3.966 -5.466 -1.948 1.00 84.44 C +ATOM 107 NZ LYS A 15 4.312 -6.073 -3.261 1.00 78.66 N +ATOM 108 N GLY A 16 1.736 -3.800 2.624 1.00 98.37 N +ATOM 109 CA GLY A 16 1.067 -2.508 2.591 1.00 98.04 C +ATOM 110 C GLY A 16 0.296 -2.286 1.302 1.00 98.28 C +ATOM 111 O GLY A 16 0.600 -2.888 0.270 1.00 98.11 O +ATOM 112 N GLU A 17 -0.711 -1.421 1.368 1.00 98.14 N +ATOM 113 CA GLU A 17 -1.521 -1.118 0.187 1.00 98.13 C +ATOM 114 C GLU A 17 -0.719 -0.324 -0.839 1.00 98.27 C +ATOM 115 O GLU A 17 0.240 0.372 -0.514 1.00 97.67 O +ATOM 116 CB GLU A 17 -2.774 -0.325 0.574 1.00 97.26 C +ATOM 117 CG GLU A 17 -3.790 -1.131 1.368 1.00 92.05 C +ATOM 118 CD GLU A 17 -5.108 -0.391 1.523 1.00 86.53 C +ATOM 119 OE1 GLU A 17 -5.095 0.846 1.657 1.00 81.80 O +ATOM 120 OE2 GLU A 17 -6.164 -1.056 1.508 1.00 80.36 O +ATOM 121 N LYS A 18 -1.137 -0.435 -2.115 1.00 98.10 N +ATOM 122 CA LYS A 18 -0.514 0.334 -3.188 1.00 98.15 C +ATOM 123 C LYS A 18 -0.723 1.823 -2.928 1.00 98.19 C +ATOM 124 O LYS A 18 -1.783 2.244 -2.474 1.00 97.69 O +ATOM 125 CB LYS A 18 -1.151 -0.071 -4.529 1.00 97.31 C +ATOM 126 CG LYS A 18 -0.551 0.597 -5.762 1.00 94.93 C +ATOM 127 CD LYS A 18 -1.304 0.190 -7.008 1.00 91.25 C +ATOM 128 CE LYS A 18 -0.789 0.886 -8.265 1.00 85.15 C +ATOM 129 NZ LYS A 18 0.476 0.318 -8.741 1.00 80.07 N +ATOM 130 N GLY A 19 0.308 2.610 -3.222 1.00 98.36 N +ATOM 131 CA GLY A 19 0.231 4.050 -3.012 1.00 98.20 C +ATOM 132 C GLY A 19 -0.799 4.720 -3.902 1.00 98.37 C +ATOM 133 O GLY A 19 -1.203 4.175 -4.934 1.00 98.27 O +ATOM 134 N GLU A 20 -1.231 5.925 -3.491 1.00 98.03 N +ATOM 135 CA GLU A 20 -2.206 6.701 -4.245 1.00 97.93 C +ATOM 136 C GLU A 20 -1.624 7.127 -5.584 1.00 98.18 C +ATOM 137 O GLU A 20 -0.418 7.308 -5.721 1.00 97.82 O +ATOM 138 CB GLU A 20 -2.611 7.947 -3.462 1.00 96.93 C +ATOM 139 CG GLU A 20 -3.297 7.663 -2.135 1.00 88.94 C +ATOM 140 CD GLU A 20 -4.753 7.284 -2.281 1.00 85.49 C +ATOM 141 OE1 GLU A 20 -5.234 7.153 -3.417 1.00 82.02 O +ATOM 142 OE2 GLU A 20 -5.419 7.133 -1.243 1.00 80.91 O +HETATM 143 N HYP A 21 -2.468 7.351 -6.572 1.00 97.62 N +HETATM 144 CA HYP A 21 -2.073 7.883 -7.855 1.00 97.77 C +HETATM 145 C HYP A 21 -1.491 9.293 -7.685 1.00 97.72 C +HETATM 146 O HYP A 21 -1.934 10.019 -6.790 1.00 97.19 O +HETATM 147 CB HYP A 21 -3.364 7.929 -8.683 1.00 96.53 C +HETATM 148 CG HYP A 21 -4.252 6.904 -8.035 1.00 96.19 C +HETATM 149 CD HYP A 21 -3.879 6.936 -6.616 1.00 96.87 C +HETATM 150 OD1 HYP A 21 -4.021 5.625 -8.556 1.00 95.96 O +ATOM 151 N GLY A 22 -0.584 9.665 -8.533 1.00 98.41 N +ATOM 152 CA GLY A 22 -0.043 10.999 -8.492 1.00 98.26 C +ATOM 153 C GLY A 22 -1.074 12.025 -8.953 1.00 98.32 C +ATOM 154 O GLY A 22 -2.128 11.665 -9.492 1.00 98.24 O +ATOM 155 N PRO A 23 -0.781 13.327 -8.752 1.00 97.72 N +ATOM 156 CA PRO A 23 -1.714 14.383 -9.153 1.00 97.76 C +ATOM 157 C PRO A 23 -1.804 14.512 -10.666 1.00 97.94 C +ATOM 158 O PRO A 23 -0.884 14.142 -11.386 1.00 97.41 O +ATOM 159 CB PRO A 23 -1.122 15.645 -8.522 1.00 96.64 C +ATOM 160 CG PRO A 23 0.333 15.346 -8.438 1.00 94.80 C +ATOM 161 CD PRO A 23 0.422 13.878 -8.131 1.00 96.84 C +HETATM 162 N HYP A 24 -2.883 15.072 -11.180 1.00 96.96 N +HETATM 163 CA HYP A 24 -3.078 15.345 -12.584 1.00 97.08 C +HETATM 164 C HYP A 24 -2.020 16.321 -13.104 1.00 97.19 C +HETATM 165 O HYP A 24 -1.566 17.196 -12.357 1.00 96.71 O +HETATM 166 CB HYP A 24 -4.489 15.977 -12.645 1.00 95.03 C +HETATM 167 CG HYP A 24 -5.193 15.463 -11.441 1.00 94.17 C +HETATM 168 CD HYP A 24 -4.093 15.349 -10.414 1.00 95.78 C +HETATM 169 OD1 HYP A 24 -5.752 14.200 -11.660 1.00 93.59 O +ATOM 170 N GLY A 25 -1.681 16.180 -14.368 1.00 97.64 N +ATOM 171 CA GLY A 25 -0.737 17.083 -14.982 1.00 97.65 C +ATOM 172 C GLY A 25 -1.344 18.468 -15.174 1.00 97.81 C +ATOM 173 O GLY A 25 -2.552 18.663 -15.005 1.00 97.72 O +ATOM 174 N PRO A 26 -0.515 19.455 -15.554 1.00 97.14 N +ATOM 175 CA PRO A 26 -1.001 20.820 -15.769 1.00 97.18 C +ATOM 176 C PRO A 26 -1.864 20.918 -17.022 1.00 97.30 C +ATOM 177 O PRO A 26 -1.769 20.089 -17.920 1.00 96.52 O +ATOM 178 CB PRO A 26 0.284 21.635 -15.917 1.00 95.83 C +ATOM 179 CG PRO A 26 1.273 20.657 -16.441 1.00 93.87 C +ATOM 180 CD PRO A 26 0.923 19.345 -15.778 1.00 96.14 C +HETATM 181 N HYP A 27 -2.686 21.935 -17.128 1.00 95.97 N +HETATM 182 CA HYP A 27 -3.494 22.193 -18.310 1.00 96.47 C +HETATM 183 C HYP A 27 -2.618 22.407 -19.549 1.00 96.45 C +HETATM 184 O HYP A 27 -1.503 22.901 -19.446 1.00 95.81 O +HETATM 185 CB HYP A 27 -4.236 23.495 -17.967 1.00 93.50 C +HETATM 186 CG HYP A 27 -4.297 23.508 -16.475 1.00 92.34 C +HETATM 187 CD HYP A 27 -2.994 22.861 -16.058 1.00 94.31 C +HETATM 188 OD1 HYP A 27 -5.366 22.741 -15.982 1.00 92.18 O +ATOM 189 N GLY A 28 -3.170 22.063 -20.706 1.00 96.72 N +ATOM 190 CA GLY A 28 -2.468 22.268 -21.947 1.00 96.78 C +ATOM 191 C GLY A 28 -2.354 23.745 -22.288 1.00 97.04 C +ATOM 192 O GLY A 28 -2.966 24.594 -21.629 1.00 97.06 O +ATOM 193 N PRO A 29 -1.576 24.081 -23.337 1.00 96.62 N +ATOM 194 CA PRO A 29 -1.396 25.476 -23.732 1.00 96.66 C +ATOM 195 C PRO A 29 -2.655 26.051 -24.356 1.00 96.83 C +ATOM 196 O PRO A 29 -3.514 25.322 -24.842 1.00 95.97 O +ATOM 197 CB PRO A 29 -0.255 25.409 -24.744 1.00 95.06 C +ATOM 198 CG PRO A 29 -0.356 24.045 -25.313 1.00 92.97 C +ATOM 199 CD PRO A 29 -0.809 23.169 -24.174 1.00 95.48 C +HETATM 200 N HYP A 30 -2.773 27.389 -24.400 1.00 95.38 N +HETATM 201 CA HYP A 30 -3.904 28.048 -25.012 1.00 95.05 C +HETATM 202 C HYP A 30 -3.993 27.752 -26.520 1.00 95.79 C +HETATM 203 O HYP A 30 -2.991 27.546 -27.177 1.00 94.78 O +HETATM 204 CB HYP A 30 -3.528 29.547 -24.835 1.00 93.07 C +HETATM 205 CG HYP A 30 -2.595 29.608 -23.666 1.00 91.07 C +HETATM 206 CD HYP A 30 -1.828 28.294 -23.782 1.00 93.79 C +HETATM 207 OD1 HYP A 30 -3.268 29.623 -22.430 1.00 90.30 O +ATOM 208 N GLY A 31 -5.223 27.772 -27.040 1.00 95.11 N +ATOM 209 CA GLY A 31 -5.408 27.599 -28.462 1.00 95.15 C +ATOM 210 C GLY A 31 -4.908 28.815 -29.230 1.00 95.60 C +ATOM 211 O GLY A 31 -4.585 29.846 -28.640 1.00 95.66 O +ATOM 212 N PRO A 32 -4.857 28.729 -30.579 1.00 95.54 N +ATOM 213 CA PRO A 32 -4.392 29.843 -31.394 1.00 95.47 C +ATOM 214 C PRO A 32 -5.380 30.999 -31.361 1.00 95.60 C +ATOM 215 O PRO A 32 -6.568 30.803 -31.111 1.00 94.42 O +ATOM 216 CB PRO A 32 -4.278 29.247 -32.793 1.00 93.40 C +ATOM 217 CG PRO A 32 -5.257 28.124 -32.785 1.00 91.32 C +ATOM 218 CD PRO A 32 -5.216 27.567 -31.389 1.00 94.26 C +HETATM 219 N HYP A 33 -4.906 32.253 -31.684 1.00 93.67 N +HETATM 220 CA HYP A 33 -5.749 33.411 -31.698 1.00 93.36 C +HETATM 221 C HYP A 33 -6.794 33.301 -32.757 1.00 93.35 C +HETATM 222 O HYP A 33 -6.556 32.761 -33.841 1.00 92.52 O +HETATM 223 CB HYP A 33 -4.735 34.556 -32.070 1.00 90.26 C +HETATM 224 CG HYP A 33 -3.403 34.045 -31.667 1.00 88.30 C +HETATM 225 CD HYP A 33 -3.504 32.554 -31.884 1.00 91.21 C +HETATM 226 OD1 HYP A 33 -3.136 34.322 -30.314 1.00 86.76 O +ATOM 227 N GLY A 34 -8.059 33.842 -32.420 1.00 92.16 N +ATOM 228 CA GLY A 34 -9.136 33.843 -33.374 1.00 90.56 C +ATOM 229 C GLY A 34 -8.836 34.748 -34.553 1.00 87.59 C +ATOM 230 O GLY A 34 -8.015 35.663 -34.464 1.00 82.54 O +ATOM 231 N GLY A 35 -9.546 34.510 -35.688 1.00 89.01 N +ATOM 232 CA GLY A 35 -9.352 35.276 -36.895 1.00 84.51 C +ATOM 233 C GLY A 35 -10.516 35.078 -37.852 1.00 78.63 C +ATOM 234 O GLY A 35 -11.467 34.356 -37.526 1.00 73.40 O +ATOM 235 OXT GLY A 35 -10.481 35.648 -38.980 1.00 77.61 O +TER 236 GLY A 35 +END diff --git a/protein_pdb_493.txt b/protein_pdb_493.txt new file mode 100644 index 0000000000000000000000000000000000000000..df7ac78ff471841ac235bfbf988fd9a25e1f825d --- /dev/null +++ b/protein_pdb_493.txt @@ -0,0 +1,141 @@ +ATOM 1 N GLY A 1 7.069 -16.979 32.408 1.00 69.94 N +ATOM 2 CA GLY A 1 7.415 -16.972 30.982 1.00 71.70 C +ATOM 3 C GLY A 1 7.784 -15.581 30.503 1.00 73.18 C +ATOM 4 O GLY A 1 7.595 -14.601 31.233 1.00 67.83 O +ATOM 5 N ALA A 2 8.306 -15.489 29.291 1.00 62.24 N +ATOM 6 CA ALA A 2 8.696 -14.210 28.716 1.00 74.96 C +ATOM 7 C ALA A 2 7.546 -13.612 27.902 1.00 75.31 C +ATOM 8 O ALA A 2 6.714 -14.330 27.359 1.00 70.06 O +ATOM 9 CB ALA A 2 9.918 -14.386 27.812 1.00 68.01 C +ATOM 10 N ALA A 3 7.518 -12.273 27.824 1.00 67.74 N +ATOM 11 CA ALA A 3 6.490 -11.591 27.054 1.00 76.54 C +ATOM 12 C ALA A 3 6.682 -11.878 25.568 1.00 79.89 C +ATOM 13 O ALA A 3 7.815 -12.016 25.087 1.00 71.85 O +ATOM 14 CB ALA A 3 6.549 -10.087 27.303 1.00 69.66 C +ATOM 15 N GLY A 4 5.589 -11.970 24.846 1.00 77.67 N +ATOM 16 CA GLY A 4 5.663 -12.247 23.420 1.00 77.23 C +ATOM 17 C GLY A 4 6.190 -11.063 22.626 1.00 77.28 C +ATOM 18 O GLY A 4 6.127 -9.918 23.083 1.00 78.14 O +ATOM 19 N ALA A 5 6.704 -11.342 21.449 1.00 71.33 N +ATOM 20 CA ALA A 5 7.233 -10.300 20.580 1.00 78.67 C +ATOM 21 C ALA A 5 6.103 -9.643 19.794 1.00 77.63 C +ATOM 22 O ALA A 5 5.043 -10.233 19.598 1.00 75.34 O +ATOM 23 CB ALA A 5 8.258 -10.886 19.612 1.00 74.90 C +ATOM 24 N ALA A 6 6.341 -8.421 19.332 1.00 80.20 N +ATOM 25 CA ALA A 6 5.343 -7.717 18.534 1.00 84.12 C +ATOM 26 C ALA A 6 5.130 -8.484 17.231 1.00 84.29 C +ATOM 27 O ALA A 6 6.060 -9.099 16.696 1.00 78.30 O +ATOM 28 CB ALA A 6 5.807 -6.298 18.239 1.00 80.92 C +ATOM 29 N GLY A 7 3.920 -8.457 16.724 1.00 90.76 N +ATOM 30 CA GLY A 7 3.610 -9.159 15.488 1.00 89.37 C +ATOM 31 C GLY A 7 4.245 -8.497 14.280 1.00 89.20 C +ATOM 32 O GLY A 7 4.771 -7.380 14.368 1.00 91.26 O +ATOM 33 N PRO A 8 4.200 -9.167 13.130 1.00 93.79 N +ATOM 34 CA PRO A 8 4.797 -8.606 11.913 1.00 94.34 C +ATOM 35 C PRO A 8 3.972 -7.449 11.364 1.00 94.09 C +ATOM 36 O PRO A 8 2.800 -7.281 11.702 1.00 92.35 O +ATOM 37 CB PRO A 8 4.806 -9.794 10.947 1.00 92.82 C +ATOM 38 CG PRO A 8 3.603 -10.569 11.372 1.00 92.10 C +ATOM 39 CD PRO A 8 3.620 -10.485 12.884 1.00 93.95 C +ATOM 40 N ALA A 9 4.597 -6.657 10.515 1.00 91.67 N +ATOM 41 CA ALA A 9 3.899 -5.540 9.882 1.00 91.82 C +ATOM 42 C ALA A 9 2.775 -6.097 9.023 1.00 91.15 C +ATOM 43 O ALA A 9 2.868 -7.207 8.497 1.00 87.32 O +ATOM 44 CB ALA A 9 4.867 -4.734 9.022 1.00 89.45 C +ATOM 45 N GLY A 10 1.709 -5.329 8.881 1.00 94.89 N +ATOM 46 CA GLY A 10 0.576 -5.770 8.087 1.00 93.57 C +ATOM 47 C GLY A 10 0.880 -5.798 6.599 1.00 93.71 C +ATOM 48 O GLY A 10 1.962 -5.379 6.167 1.00 94.21 O +ATOM 49 N PRO A 11 -0.062 -6.289 5.794 1.00 95.23 N +ATOM 50 CA PRO A 11 0.143 -6.381 4.348 1.00 94.66 C +ATOM 51 C PRO A 11 0.139 -5.007 3.695 1.00 94.63 C +ATOM 52 O PRO A 11 -0.389 -4.047 4.249 1.00 93.12 O +ATOM 53 CB PRO A 11 -1.038 -7.233 3.879 1.00 92.86 C +ATOM 54 CG PRO A 11 -2.105 -6.912 4.875 1.00 92.50 C +ATOM 55 CD PRO A 11 -1.372 -6.823 6.192 1.00 93.91 C +HETATM 56 N HYP A 12 0.686 -4.955 2.503 1.00 96.27 N +HETATM 57 CA HYP A 12 0.710 -3.701 1.742 1.00 95.68 C +HETATM 58 C HYP A 12 -0.712 -3.266 1.426 1.00 95.96 C +HETATM 59 O HYP A 12 -1.617 -4.126 1.257 1.00 94.44 O +HETATM 60 CB HYP A 12 1.443 -4.137 0.432 1.00 94.42 C +HETATM 61 CG HYP A 12 2.283 -5.298 0.858 1.00 93.21 C +HETATM 62 CD HYP A 12 1.447 -6.002 1.848 1.00 94.56 C +HETATM 63 OD1 HYP A 12 3.476 -4.873 1.443 1.00 91.51 O +ATOM 64 N GLY A 13 -0.940 -1.964 1.377 1.00 96.63 N +ATOM 65 CA GLY A 13 -2.252 -1.453 1.054 1.00 96.47 C +ATOM 66 C GLY A 13 -2.558 -1.671 -0.417 1.00 96.72 C +ATOM 67 O GLY A 13 -1.700 -2.119 -1.184 1.00 96.47 O +ATOM 68 N PRO A 14 -3.795 -1.345 -0.835 1.00 96.04 N +ATOM 69 CA PRO A 14 -4.177 -1.526 -2.240 1.00 95.96 C +ATOM 70 C PRO A 14 -3.474 -0.520 -3.142 1.00 95.74 C +ATOM 71 O PRO A 14 -3.051 0.543 -2.691 1.00 94.55 O +ATOM 72 CB PRO A 14 -5.687 -1.307 -2.212 1.00 94.69 C +ATOM 73 CG PRO A 14 -5.872 -0.355 -1.082 1.00 93.85 C +ATOM 74 CD PRO A 14 -4.898 -0.829 -0.029 1.00 95.36 C +HETATM 75 N HYP A 15 -3.374 -0.866 -4.422 1.00 96.29 N +HETATM 76 CA HYP A 15 -2.789 0.059 -5.380 1.00 95.69 C +HETATM 77 C HYP A 15 -3.642 1.340 -5.472 1.00 96.26 C +HETATM 78 O HYP A 15 -4.872 1.293 -5.313 1.00 94.70 O +HETATM 79 CB HYP A 15 -2.972 -0.732 -6.724 1.00 93.95 C +HETATM 80 CG HYP A 15 -2.970 -2.172 -6.301 1.00 93.98 C +HETATM 81 CD HYP A 15 -3.716 -2.162 -5.002 1.00 94.38 C +HETATM 82 OD1 HYP A 15 -1.663 -2.653 -6.082 1.00 91.67 O +ATOM 83 N GLY A 16 -2.965 2.453 -5.686 1.00 95.70 N +ATOM 84 CA GLY A 16 -3.666 3.711 -5.802 1.00 95.56 C +ATOM 85 C GLY A 16 -4.495 3.734 -7.077 1.00 95.91 C +ATOM 86 O GLY A 16 -4.373 2.849 -7.929 1.00 95.53 O +ATOM 87 N PRO A 17 -5.350 4.757 -7.223 1.00 95.40 N +ATOM 88 CA PRO A 17 -6.194 4.854 -8.408 1.00 95.29 C +ATOM 89 C PRO A 17 -5.371 5.196 -9.642 1.00 95.30 C +ATOM 90 O PRO A 17 -4.295 5.783 -9.538 1.00 93.51 O +ATOM 91 CB PRO A 17 -7.173 5.961 -8.051 1.00 93.58 C +ATOM 92 CG PRO A 17 -6.377 6.819 -7.118 1.00 92.55 C +ATOM 93 CD PRO A 17 -5.594 5.836 -6.283 1.00 94.55 C +HETATM 94 N HYP A 18 -5.890 4.813 -10.806 1.00 94.79 N +HETATM 95 CA HYP A 18 -5.234 5.209 -12.038 1.00 94.68 C +HETATM 96 C HYP A 18 -5.172 6.716 -12.173 1.00 95.25 C +HETATM 97 O HYP A 18 -6.034 7.431 -11.689 1.00 92.97 O +HETATM 98 CB HYP A 18 -6.198 4.629 -13.116 1.00 93.25 C +HETATM 99 CG HYP A 18 -6.910 3.467 -12.444 1.00 92.59 C +HETATM 100 CD HYP A 18 -7.070 3.960 -11.024 1.00 93.64 C +HETATM 101 OD1 HYP A 18 -6.120 2.284 -12.422 1.00 89.84 O +ATOM 102 N GLY A 19 -4.088 7.202 -12.782 1.00 93.93 N +ATOM 103 CA GLY A 19 -3.918 8.622 -12.977 1.00 93.77 C +ATOM 104 C GLY A 19 -4.968 9.154 -13.931 1.00 94.20 C +ATOM 105 O GLY A 19 -5.690 8.392 -14.576 1.00 94.11 O +ATOM 106 N PRO A 20 -5.070 10.482 -14.048 1.00 94.92 N +ATOM 107 CA PRO A 20 -6.060 11.076 -14.940 1.00 94.67 C +ATOM 108 C PRO A 20 -5.701 10.820 -16.394 1.00 94.81 C +ATOM 109 O PRO A 20 -4.538 10.606 -16.730 1.00 93.24 O +ATOM 110 CB PRO A 20 -6.002 12.563 -14.588 1.00 92.81 C +ATOM 111 CG PRO A 20 -4.591 12.739 -14.128 1.00 91.34 C +ATOM 112 CD PRO A 20 -4.289 11.481 -13.336 1.00 93.59 C +HETATM 113 N HYP A 21 -6.724 10.835 -17.283 1.00 94.86 N +HETATM 114 CA HYP A 21 -6.471 10.703 -18.684 1.00 94.57 C +HETATM 115 C HYP A 21 -5.604 11.787 -19.202 1.00 94.28 C +HETATM 116 O HYP A 21 -5.639 12.908 -18.717 1.00 92.48 O +HETATM 117 CB HYP A 21 -7.902 10.815 -19.296 1.00 92.90 C +HETATM 118 CG HYP A 21 -8.860 10.402 -18.225 1.00 90.20 C +HETATM 119 CD HYP A 21 -8.174 10.891 -16.968 1.00 91.74 C +HETATM 120 OD1 HYP A 21 -8.967 8.970 -18.155 1.00 89.49 O +ATOM 121 N GLY A 22 -4.730 11.490 -20.179 1.00 91.62 N +ATOM 122 CA GLY A 22 -3.848 12.465 -20.763 1.00 91.05 C +ATOM 123 C GLY A 22 -4.635 13.506 -21.538 1.00 91.30 C +ATOM 124 O GLY A 22 -5.838 13.361 -21.752 1.00 90.63 O +ATOM 125 N PRO A 23 -3.968 14.571 -21.995 1.00 91.95 N +ATOM 126 CA PRO A 23 -4.658 15.608 -22.756 1.00 91.76 C +ATOM 127 C PRO A 23 -5.077 15.085 -24.124 1.00 91.60 C +ATOM 128 O PRO A 23 -4.533 14.095 -24.623 1.00 87.95 O +ATOM 129 CB PRO A 23 -3.612 16.719 -22.872 1.00 87.91 C +ATOM 130 CG PRO A 23 -2.333 15.957 -22.866 1.00 85.00 C +ATOM 131 CD PRO A 23 -2.552 14.858 -21.844 1.00 87.53 C +ATOM 132 N PRO A 24 -6.065 15.735 -24.748 1.00 92.05 N +ATOM 133 CA PRO A 24 -6.497 15.285 -26.071 1.00 91.20 C +ATOM 134 C PRO A 24 -5.421 15.582 -27.122 1.00 88.69 C +ATOM 135 O PRO A 24 -4.491 16.346 -26.841 1.00 84.22 O +ATOM 136 CB PRO A 24 -7.782 16.078 -26.315 1.00 85.01 C +ATOM 137 CG PRO A 24 -7.567 17.314 -25.517 1.00 84.59 C +ATOM 138 CD PRO A 24 -6.888 16.839 -24.262 1.00 87.11 C +ATOM 139 OXT PRO A 24 -5.486 15.022 -28.239 1.00 77.02 O +TER 140 PRO A 24 +END diff --git a/protein_pdb_494.txt b/protein_pdb_494.txt new file mode 100644 index 0000000000000000000000000000000000000000..c9ec797a82fe2f4d55cd0939d1ea47f12da9778f --- /dev/null +++ b/protein_pdb_494.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -22.523 -11.554 27.836 1.00 90.10 N +ATOM 2 CA GLY A 1 -21.369 -12.257 27.283 1.00 92.02 C +ATOM 3 C GLY A 1 -20.276 -11.289 26.904 1.00 92.11 C +ATOM 4 O GLY A 1 -20.505 -10.080 26.863 1.00 89.93 O +ATOM 5 N PRO A 2 -19.085 -11.779 26.605 1.00 94.90 N +ATOM 6 CA PRO A 2 -17.975 -10.905 26.224 1.00 95.48 C +ATOM 7 C PRO A 2 -18.219 -10.250 24.868 1.00 95.64 C +ATOM 8 O PRO A 2 -18.963 -10.771 24.045 1.00 94.74 O +ATOM 9 CB PRO A 2 -16.770 -11.837 26.187 1.00 93.89 C +ATOM 10 CG PRO A 2 -17.364 -13.164 25.868 1.00 90.91 C +ATOM 11 CD PRO A 2 -18.687 -13.182 26.607 1.00 92.80 C +HETATM 12 N HYP A 3 -17.678 -9.162 24.672 1.00 93.78 N +HETATM 13 CA HYP A 3 -17.695 -8.444 23.357 1.00 92.38 C +HETATM 14 C HYP A 3 -17.183 -9.327 22.240 1.00 93.17 C +HETATM 15 O HYP A 3 -16.314 -10.203 22.469 1.00 92.77 O +HETATM 16 CB HYP A 3 -16.787 -7.257 23.625 1.00 91.02 C +HETATM 17 CG HYP A 3 -16.779 -7.057 25.135 1.00 88.76 C +HETATM 18 CD HYP A 3 -16.845 -8.479 25.666 1.00 91.72 C +HETATM 19 OD1 HYP A 3 -17.899 -6.340 25.580 1.00 91.82 O +ATOM 20 N GLY A 4 -17.698 -9.118 21.041 1.00 94.82 N +ATOM 21 CA GLY A 4 -17.232 -9.855 19.890 1.00 94.28 C +ATOM 22 C GLY A 4 -15.827 -9.422 19.501 1.00 94.00 C +ATOM 23 O GLY A 4 -15.311 -8.428 20.018 1.00 93.67 O +ATOM 24 N PRO A 5 -15.209 -10.146 18.590 1.00 96.11 N +ATOM 25 CA PRO A 5 -13.845 -9.802 18.164 1.00 96.08 C +ATOM 26 C PRO A 5 -13.826 -8.504 17.370 1.00 96.23 C +ATOM 27 O PRO A 5 -14.824 -8.104 16.780 1.00 95.78 O +ATOM 28 CB PRO A 5 -13.431 -10.999 17.310 1.00 94.84 C +ATOM 29 CG PRO A 5 -14.723 -11.509 16.773 1.00 92.95 C +ATOM 30 CD PRO A 5 -15.711 -11.321 17.901 1.00 94.78 C +HETATM 31 N HYP A 6 -12.717 -7.863 17.368 1.00 92.95 N +HETATM 32 CA HYP A 6 -12.520 -6.648 16.526 1.00 94.79 C +HETATM 33 C HYP A 6 -12.721 -6.916 15.065 1.00 92.19 C +HETATM 34 O HYP A 6 -12.448 -8.049 14.599 1.00 92.70 O +HETATM 35 CB HYP A 6 -11.045 -6.296 16.838 1.00 89.38 C +HETATM 36 CG HYP A 6 -10.741 -6.900 18.185 1.00 89.14 C +HETATM 37 CD HYP A 6 -11.560 -8.172 18.153 1.00 91.45 C +HETATM 38 OD1 HYP A 6 -11.195 -6.076 19.231 1.00 89.94 O +ATOM 39 N GLY A 7 -13.217 -5.932 14.325 1.00 94.41 N +ATOM 40 CA GLY A 7 -13.411 -6.072 12.904 1.00 93.59 C +ATOM 41 C GLY A 7 -12.072 -6.167 12.179 1.00 93.22 C +ATOM 42 O GLY A 7 -11.012 -5.957 12.778 1.00 93.13 O +ATOM 43 N PRO A 8 -12.119 -6.471 10.890 1.00 94.52 N +ATOM 44 CA PRO A 8 -10.884 -6.603 10.126 1.00 94.76 C +ATOM 45 C PRO A 8 -10.219 -5.253 9.898 1.00 94.74 C +ATOM 46 O PRO A 8 -10.871 -4.217 9.911 1.00 93.79 O +ATOM 47 CB PRO A 8 -11.351 -7.223 8.812 1.00 93.48 C +ATOM 48 CG PRO A 8 -12.747 -6.729 8.677 1.00 92.36 C +ATOM 49 CD PRO A 8 -13.291 -6.728 10.089 1.00 94.12 C +HETATM 50 N HYP A 9 -8.958 -5.244 9.656 1.00 90.77 N +HETATM 51 CA HYP A 9 -8.202 -4.049 9.342 1.00 89.28 C +HETATM 52 C HYP A 9 -8.675 -3.424 8.069 1.00 88.67 C +HETATM 53 O HYP A 9 -9.120 -4.138 7.146 1.00 86.83 O +HETATM 54 CB HYP A 9 -6.733 -4.581 9.145 1.00 87.86 C +HETATM 55 CG HYP A 9 -6.691 -5.832 9.966 1.00 87.26 C +HETATM 56 CD HYP A 9 -8.080 -6.392 9.790 1.00 88.08 C +HETATM 57 OD1 HYP A 9 -6.478 -5.517 11.321 1.00 83.87 O +ATOM 58 N GLY A 10 -8.559 -2.112 7.962 1.00 92.41 N +ATOM 59 CA GLY A 10 -8.912 -1.424 6.747 1.00 90.48 C +ATOM 60 C GLY A 10 -7.945 -1.766 5.624 1.00 89.71 C +ATOM 61 O GLY A 10 -6.865 -2.315 5.855 1.00 89.39 O +ATOM 62 N PHE A 11 -8.350 -1.443 4.396 1.00 93.07 N +ATOM 63 CA PHE A 11 -7.507 -1.705 3.238 1.00 92.54 C +ATOM 64 C PHE A 11 -6.364 -0.699 3.166 1.00 92.64 C +ATOM 65 O PHE A 11 -6.514 0.463 3.528 1.00 90.89 O +ATOM 66 CB PHE A 11 -8.321 -1.632 1.953 1.00 90.73 C +ATOM 67 CG PHE A 11 -9.359 -2.710 1.838 1.00 86.64 C +ATOM 68 CD1 PHE A 11 -8.986 -4.021 1.633 1.00 82.85 C +ATOM 69 CD2 PHE A 11 -10.709 -2.408 1.929 1.00 82.12 C +ATOM 70 CE1 PHE A 11 -9.942 -5.030 1.524 1.00 80.62 C +ATOM 71 CE2 PHE A 11 -11.671 -3.403 1.824 1.00 80.49 C +ATOM 72 CZ PHE A 11 -11.284 -4.723 1.618 1.00 82.39 C +ATOM 73 N LYS A 12 -5.225 -1.169 2.671 1.00 89.20 N +ATOM 74 CA LYS A 12 -4.080 -0.284 2.470 1.00 89.21 C +ATOM 75 C LYS A 12 -4.447 0.738 1.399 1.00 89.17 C +ATOM 76 O LYS A 12 -5.171 0.431 0.456 1.00 87.44 O +ATOM 77 CB LYS A 12 -2.853 -1.107 2.042 1.00 84.71 C +ATOM 78 CG LYS A 12 -1.586 -0.280 1.839 1.00 79.92 C +ATOM 79 CD LYS A 12 -0.420 -1.140 1.414 1.00 76.51 C +ATOM 80 CE LYS A 12 0.837 -0.307 1.188 1.00 71.74 C +ATOM 81 NZ LYS A 12 1.973 -1.141 0.736 1.00 67.25 N +ATOM 82 N GLY A 13 -3.950 1.953 1.578 1.00 90.79 N +ATOM 83 CA GLY A 13 -4.217 3.005 0.605 1.00 89.24 C +ATOM 84 C GLY A 13 -3.565 2.726 -0.734 1.00 89.13 C +ATOM 85 O GLY A 13 -2.729 1.828 -0.857 1.00 89.79 O +ATOM 86 N PRO A 14 -3.940 3.488 -1.765 1.00 90.52 N +ATOM 87 CA PRO A 14 -3.382 3.279 -3.096 1.00 91.57 C +ATOM 88 C PRO A 14 -1.910 3.668 -3.157 1.00 91.51 C +ATOM 89 O PRO A 14 -1.427 4.442 -2.336 1.00 91.04 O +ATOM 90 CB PRO A 14 -4.232 4.180 -3.985 1.00 89.99 C +ATOM 91 CG PRO A 14 -4.652 5.276 -3.066 1.00 88.18 C +ATOM 92 CD PRO A 14 -4.894 4.588 -1.743 1.00 89.37 C +HETATM 93 N HYP A 15 -1.217 3.149 -4.150 1.00 82.19 N +HETATM 94 CA HYP A 15 0.176 3.490 -4.389 1.00 82.87 C +HETATM 95 C HYP A 15 0.366 4.973 -4.650 1.00 88.08 C +HETATM 96 O HYP A 15 -0.559 5.618 -5.192 1.00 77.50 O +HETATM 97 CB HYP A 15 0.514 2.664 -5.628 1.00 80.66 C +HETATM 98 CG HYP A 15 -0.472 1.519 -5.605 1.00 79.20 C +HETATM 99 CD HYP A 15 -1.705 2.156 -5.055 1.00 82.50 C +HETATM 100 OD1 HYP A 15 -0.038 0.506 -4.752 1.00 84.32 O +ATOM 101 N GLY A 16 1.456 5.507 -4.237 1.00 93.00 N +ATOM 102 CA GLY A 16 1.742 6.884 -4.513 1.00 91.45 C +ATOM 103 C GLY A 16 2.027 7.077 -5.994 1.00 91.71 C +ATOM 104 O GLY A 16 2.171 6.107 -6.744 1.00 92.78 O +ATOM 105 N PRO A 17 2.116 8.342 -6.435 1.00 90.54 N +ATOM 106 CA PRO A 17 2.385 8.615 -7.844 1.00 90.99 C +ATOM 107 C PRO A 17 3.806 8.216 -8.229 1.00 91.03 C +ATOM 108 O PRO A 17 4.696 8.161 -7.387 1.00 91.07 O +ATOM 109 CB PRO A 17 2.168 10.119 -7.965 1.00 88.61 C +ATOM 110 CG PRO A 17 2.490 10.622 -6.599 1.00 85.98 C +ATOM 111 CD PRO A 17 1.968 9.567 -5.666 1.00 87.43 C +HETATM 112 N HYP A 18 4.026 7.961 -9.518 1.00 86.67 N +HETATM 113 CA HYP A 18 5.358 7.662 -10.015 1.00 89.48 C +HETATM 114 C HYP A 18 6.325 8.822 -9.822 1.00 85.86 C +HETATM 115 O HYP A 18 5.909 10.005 -9.851 1.00 88.44 O +HETATM 116 CB HYP A 18 5.108 7.446 -11.500 1.00 85.16 C +HETATM 117 CG HYP A 18 3.680 7.022 -11.628 1.00 83.68 C +HETATM 118 CD HYP A 18 3.020 7.805 -10.534 1.00 88.25 C +HETATM 119 OD1 HYP A 18 3.517 5.658 -11.392 1.00 88.81 O +ATOM 120 N GLY A 19 7.564 8.525 -9.557 1.00 91.02 N +ATOM 121 CA GLY A 19 8.558 9.550 -9.403 1.00 90.15 C +ATOM 122 C GLY A 19 8.848 10.217 -10.734 1.00 90.31 C +ATOM 123 O GLY A 19 8.426 9.735 -11.788 1.00 90.32 O +ATOM 124 N PRO A 20 9.581 11.329 -10.709 1.00 92.80 N +ATOM 125 CA PRO A 20 9.906 12.028 -11.942 1.00 92.36 C +ATOM 126 C PRO A 20 10.934 11.259 -12.759 1.00 92.42 C +ATOM 127 O PRO A 20 11.668 10.428 -12.229 1.00 91.57 O +ATOM 128 CB PRO A 20 10.457 13.366 -11.451 1.00 89.52 C +ATOM 129 CG PRO A 20 11.060 13.021 -10.130 1.00 86.93 C +ATOM 130 CD PRO A 20 10.117 12.000 -9.534 1.00 89.60 C +HETATM 131 N HYP A 21 11.007 11.530 -14.066 1.00 92.96 N +HETATM 132 CA HYP A 21 12.016 10.927 -14.918 1.00 91.49 C +HETATM 133 C HYP A 21 13.444 11.262 -14.508 1.00 92.07 C +HETATM 134 O HYP A 21 13.684 12.345 -13.963 1.00 93.72 O +HETATM 135 CB HYP A 21 11.714 11.551 -16.288 1.00 90.73 C +HETATM 136 CG HYP A 21 10.255 11.921 -16.253 1.00 87.09 C +HETATM 137 CD HYP A 21 10.049 12.327 -14.821 1.00 91.41 C +HETATM 138 OD1 HYP A 21 9.448 10.801 -16.538 1.00 90.97 O +ATOM 139 N GLY A 22 14.371 10.355 -14.663 1.00 92.94 N +ATOM 140 CA GLY A 22 15.749 10.594 -14.344 1.00 92.57 C +ATOM 141 C GLY A 22 16.337 11.642 -15.271 1.00 93.02 C +ATOM 142 O GLY A 22 15.702 12.053 -16.247 1.00 91.84 O +ATOM 143 N PRO A 23 17.571 12.091 -15.028 1.00 94.50 N +ATOM 144 CA PRO A 23 18.197 13.098 -15.878 1.00 94.49 C +ATOM 145 C PRO A 23 18.478 12.543 -17.259 1.00 94.22 C +ATOM 146 O PRO A 23 18.695 11.342 -17.430 1.00 91.74 O +ATOM 147 CB PRO A 23 19.472 13.466 -15.126 1.00 91.96 C +ATOM 148 CG PRO A 23 19.783 12.232 -14.345 1.00 89.42 C +ATOM 149 CD PRO A 23 18.437 11.684 -13.932 1.00 92.30 C +HETATM 150 N HYP A 24 18.597 13.379 -18.281 1.00 94.19 N +HETATM 151 CA HYP A 24 18.803 12.885 -19.619 1.00 92.12 C +HETATM 152 C HYP A 24 20.099 12.115 -19.774 1.00 91.58 C +HETATM 153 O HYP A 24 21.068 12.467 -19.088 1.00 92.82 O +HETATM 154 CB HYP A 24 18.888 14.179 -20.523 1.00 92.45 C +HETATM 155 CG HYP A 24 18.242 15.248 -19.694 1.00 90.83 C +HETATM 156 CD HYP A 24 18.494 14.823 -18.241 1.00 93.15 C +HETATM 157 OD1 HYP A 24 16.854 15.256 -19.946 1.00 87.41 O +HETATM 158 OXT HYP A 24 20.124 11.181 -20.621 1.00 87.65 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_495.txt b/protein_pdb_495.txt new file mode 100644 index 0000000000000000000000000000000000000000..b707ac44d0f5ac5f5d9988201b9b09b9d87bd2eb --- /dev/null +++ b/protein_pdb_495.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 10.917 -0.685 -10.681 1.00 84.21 N +ATOM 2 CA GLY A 1 10.278 0.609 -10.500 1.00 85.54 C +ATOM 3 C GLY A 1 10.077 0.911 -9.041 1.00 86.53 C +ATOM 4 O GLY A 1 10.428 0.104 -8.180 1.00 84.49 O +ATOM 5 N PRO A 2 9.498 2.053 -8.735 1.00 84.01 N +ATOM 6 CA PRO A 2 9.281 2.444 -7.349 1.00 85.29 C +ATOM 7 C PRO A 2 8.205 1.605 -6.683 1.00 84.93 C +ATOM 8 O PRO A 2 7.404 0.954 -7.343 1.00 83.76 O +ATOM 9 CB PRO A 2 8.857 3.904 -7.455 1.00 82.47 C +ATOM 10 CG PRO A 2 8.222 3.992 -8.791 1.00 78.19 C +ATOM 11 CD PRO A 2 9.018 3.079 -9.670 1.00 78.95 C +HETATM 12 N HYP A 3 8.230 1.607 -5.410 1.00 84.17 N +HETATM 13 CA HYP A 3 7.154 0.959 -4.647 1.00 84.85 C +HETATM 14 C HYP A 3 5.814 1.504 -4.995 1.00 86.15 C +HETATM 15 O HYP A 3 5.697 2.691 -5.380 1.00 88.86 O +HETATM 16 CB HYP A 3 7.560 1.276 -3.193 1.00 85.74 C +HETATM 17 CG HYP A 3 9.071 1.404 -3.240 1.00 79.51 C +HETATM 18 CD HYP A 3 9.284 2.138 -4.572 1.00 83.66 C +HETATM 19 OD1 HYP A 3 9.640 0.124 -3.306 1.00 85.36 O +ATOM 20 N GLY A 4 4.829 0.650 -4.937 1.00 90.80 N +ATOM 21 CA GLY A 4 3.484 1.070 -5.197 1.00 89.95 C +ATOM 22 C GLY A 4 2.987 2.011 -4.121 1.00 91.04 C +ATOM 23 O GLY A 4 3.641 2.209 -3.097 1.00 91.73 O +ATOM 24 N PRO A 5 1.826 2.594 -4.347 1.00 89.20 N +ATOM 25 CA PRO A 5 1.265 3.519 -3.374 1.00 88.98 C +ATOM 26 C PRO A 5 0.776 2.796 -2.132 1.00 88.81 C +ATOM 27 O PRO A 5 0.566 1.589 -2.143 1.00 88.14 O +ATOM 28 CB PRO A 5 0.119 4.169 -4.131 1.00 87.59 C +ATOM 29 CG PRO A 5 -0.303 3.126 -5.099 1.00 85.63 C +ATOM 30 CD PRO A 5 0.963 2.436 -5.519 1.00 87.44 C +HETATM 31 N HYP A 6 0.615 3.556 -1.069 1.00 88.69 N +HETATM 32 CA HYP A 6 0.044 2.997 0.132 1.00 93.75 C +HETATM 33 C HYP A 6 -1.330 2.459 -0.094 1.00 90.16 C +HETATM 34 O HYP A 6 -2.092 2.993 -0.935 1.00 90.96 O +HETATM 35 CB HYP A 6 0.015 4.234 1.077 1.00 87.25 C +HETATM 36 CG HYP A 6 1.149 5.098 0.578 1.00 85.89 C +HETATM 37 CD HYP A 6 1.035 4.931 -0.930 1.00 88.41 C +HETATM 38 OD1 HYP A 6 2.377 4.547 1.019 1.00 87.49 O +ATOM 39 N GLY A 7 -1.638 1.394 0.589 1.00 91.61 N +ATOM 40 CA GLY A 7 -2.950 0.818 0.499 1.00 90.66 C +ATOM 41 C GLY A 7 -3.990 1.748 1.087 1.00 91.12 C +ATOM 42 O GLY A 7 -3.665 2.776 1.682 1.00 91.23 O +ATOM 43 N PRO A 8 -5.244 1.391 0.920 1.00 89.22 N +ATOM 44 CA PRO A 8 -6.304 2.227 1.452 1.00 89.26 C +ATOM 45 C PRO A 8 -6.365 2.144 2.972 1.00 89.31 C +ATOM 46 O PRO A 8 -5.896 1.190 3.578 1.00 87.52 O +ATOM 47 CB PRO A 8 -7.560 1.643 0.822 1.00 87.01 C +ATOM 48 CG PRO A 8 -7.215 0.217 0.605 1.00 85.62 C +ATOM 49 CD PRO A 8 -5.756 0.212 0.235 1.00 87.30 C +HETATM 50 N HYP A 9 -6.965 3.150 3.585 1.00 88.67 N +HETATM 51 CA HYP A 9 -7.142 3.149 4.979 1.00 90.49 C +HETATM 52 C HYP A 9 -8.092 2.057 5.406 1.00 89.15 C +HETATM 53 O HYP A 9 -9.019 1.696 4.653 1.00 88.30 O +HETATM 54 CB HYP A 9 -7.796 4.534 5.267 1.00 83.25 C +HETATM 55 CG HYP A 9 -7.384 5.379 4.117 1.00 81.87 C +HETATM 56 CD HYP A 9 -7.367 4.440 2.968 1.00 87.27 C +HETATM 57 OD1 HYP A 9 -6.079 5.857 4.341 1.00 84.87 O +ATOM 58 N GLY A 10 -7.907 1.489 6.547 1.00 89.86 N +ATOM 59 CA GLY A 10 -8.898 0.620 7.123 1.00 87.37 C +ATOM 60 C GLY A 10 -10.115 1.446 7.498 1.00 88.75 C +ATOM 61 O GLY A 10 -10.134 2.665 7.322 1.00 87.12 O +ATOM 62 N MET A 11 -11.114 0.792 8.028 1.00 91.39 N +ATOM 63 CA MET A 11 -12.326 1.511 8.388 1.00 92.86 C +ATOM 64 C MET A 11 -12.010 2.738 9.249 1.00 93.23 C +ATOM 65 O MET A 11 -12.554 3.818 9.029 1.00 90.00 O +ATOM 66 CB MET A 11 -13.281 0.579 9.129 1.00 90.89 C +ATOM 67 CG MET A 11 -14.642 1.185 9.367 1.00 86.91 C +ATOM 68 SD MET A 11 -15.802 -0.001 10.050 1.00 80.65 S +ATOM 69 CE MET A 11 -15.982 -1.107 8.667 1.00 73.94 C +ATOM 70 N ASN A 12 -11.112 2.562 10.197 1.00 90.40 N +ATOM 71 CA ASN A 12 -10.669 3.657 11.059 1.00 92.41 C +ATOM 72 C ASN A 12 -9.175 3.556 11.321 1.00 92.58 C +ATOM 73 O ASN A 12 -8.704 3.929 12.388 1.00 88.76 O +ATOM 74 CB ASN A 12 -11.431 3.628 12.382 1.00 90.50 C +ATOM 75 CG ASN A 12 -12.925 3.787 12.192 1.00 84.79 C +ATOM 76 OD1 ASN A 12 -13.682 2.825 12.301 1.00 81.89 O +ATOM 77 ND2 ASN A 12 -13.352 5.004 11.899 1.00 78.07 N +ATOM 78 N GLY A 13 -8.439 3.048 10.358 1.00 94.01 N +ATOM 79 CA GLY A 13 -7.037 2.750 10.576 1.00 93.21 C +ATOM 80 C GLY A 13 -6.113 3.397 9.574 1.00 93.64 C +ATOM 81 O GLY A 13 -6.545 4.115 8.676 1.00 93.57 O +ATOM 82 N PRO A 14 -4.830 3.147 9.738 1.00 92.23 N +ATOM 83 CA PRO A 14 -3.831 3.736 8.863 1.00 91.67 C +ATOM 84 C PRO A 14 -3.864 3.126 7.480 1.00 91.61 C +ATOM 85 O PRO A 14 -4.438 2.062 7.263 1.00 90.03 O +ATOM 86 CB PRO A 14 -2.514 3.423 9.569 1.00 89.88 C +ATOM 87 CG PRO A 14 -2.792 2.150 10.285 1.00 88.83 C +ATOM 88 CD PRO A 14 -4.221 2.273 10.743 1.00 89.93 C +HETATM 89 N HYP A 15 -3.250 3.817 6.595 1.00 91.37 N +HETATM 90 CA HYP A 15 -3.069 3.277 5.259 1.00 92.56 C +HETATM 91 C HYP A 15 -2.312 2.002 5.263 1.00 92.58 C +HETATM 92 O HYP A 15 -1.500 1.762 6.187 1.00 92.51 O +HETATM 93 CB HYP A 15 -2.268 4.427 4.609 1.00 87.87 C +HETATM 94 CG HYP A 15 -2.659 5.680 5.392 1.00 84.53 C +HETATM 95 CD HYP A 15 -2.789 5.164 6.792 1.00 90.65 C +HETATM 96 OD1 HYP A 15 -3.901 6.154 4.944 1.00 89.65 O +ATOM 97 N GLY A 16 -2.587 1.171 4.309 1.00 93.63 N +ATOM 98 CA GLY A 16 -1.850 -0.054 4.171 1.00 93.05 C +ATOM 99 C GLY A 16 -0.421 0.217 3.768 1.00 93.74 C +ATOM 100 O GLY A 16 -0.042 1.353 3.475 1.00 93.60 O +ATOM 101 N PRO A 17 0.393 -0.839 3.744 1.00 92.21 N +ATOM 102 CA PRO A 17 1.786 -0.675 3.374 1.00 91.55 C +ATOM 103 C PRO A 17 1.936 -0.382 1.891 1.00 92.13 C +ATOM 104 O PRO A 17 1.038 -0.639 1.100 1.00 91.04 O +ATOM 105 CB PRO A 17 2.406 -2.016 3.745 1.00 90.17 C +ATOM 106 CG PRO A 17 1.280 -2.974 3.631 1.00 88.99 C +ATOM 107 CD PRO A 17 0.065 -2.218 4.074 1.00 90.11 C +HETATM 108 N HYP A 18 3.081 0.175 1.524 1.00 89.09 N +HETATM 109 CA HYP A 18 3.387 0.373 0.156 1.00 94.16 C +HETATM 110 C HYP A 18 3.388 -0.883 -0.633 1.00 90.07 C +HETATM 111 O HYP A 18 3.693 -1.965 -0.079 1.00 91.72 O +HETATM 112 CB HYP A 18 4.802 0.973 0.202 1.00 85.90 C +HETATM 113 CG HYP A 18 4.857 1.664 1.539 1.00 85.58 C +HETATM 114 CD HYP A 18 4.077 0.700 2.415 1.00 90.59 C +HETATM 115 OD1 HYP A 18 4.169 2.904 1.468 1.00 87.32 O +ATOM 116 N GLY A 19 3.024 -0.815 -1.872 1.00 91.64 N +ATOM 117 CA GLY A 19 3.063 -1.949 -2.750 1.00 91.27 C +ATOM 118 C GLY A 19 4.493 -2.349 -3.046 1.00 92.04 C +ATOM 119 O GLY A 19 5.438 -1.653 -2.698 1.00 92.25 O +ATOM 120 N PRO A 20 4.652 -3.492 -3.693 1.00 86.50 N +ATOM 121 CA PRO A 20 5.980 -3.964 -4.029 1.00 86.17 C +ATOM 122 C PRO A 20 6.604 -3.123 -5.130 1.00 86.04 C +ATOM 123 O PRO A 20 5.921 -2.396 -5.835 1.00 86.43 O +ATOM 124 CB PRO A 20 5.731 -5.400 -4.486 1.00 84.33 C +ATOM 125 CG PRO A 20 4.347 -5.363 -5.022 1.00 81.88 C +ATOM 126 CD PRO A 20 3.605 -4.398 -4.147 1.00 82.57 C +HETATM 127 N HYP A 21 7.921 -3.227 -5.243 1.00 86.06 N +HETATM 128 CA HYP A 21 8.598 -2.580 -6.315 1.00 88.19 C +HETATM 129 C HYP A 21 8.088 -2.941 -7.683 1.00 86.15 C +HETATM 130 O HYP A 21 7.676 -4.092 -7.877 1.00 89.84 O +HETATM 131 CB HYP A 21 10.056 -3.035 -6.156 1.00 84.60 C +HETATM 132 CG HYP A 21 10.171 -3.339 -4.687 1.00 81.32 C +HETATM 133 CD HYP A 21 8.826 -3.924 -4.348 1.00 87.47 C +HETATM 134 OD1 HYP A 21 10.307 -2.113 -3.960 1.00 84.80 O +ATOM 135 N GLY A 22 7.991 -1.999 -8.580 1.00 89.34 N +ATOM 136 CA GLY A 22 7.568 -2.261 -9.919 1.00 86.85 C +ATOM 137 C GLY A 22 8.617 -3.058 -10.676 1.00 87.14 C +ATOM 138 O GLY A 22 9.692 -3.349 -10.149 1.00 87.01 O +ATOM 139 N PRO A 23 8.327 -3.401 -11.926 1.00 90.20 N +ATOM 140 CA PRO A 23 9.283 -4.163 -12.715 1.00 89.75 C +ATOM 141 C PRO A 23 10.517 -3.339 -13.015 1.00 88.60 C +ATOM 142 O PRO A 23 10.495 -2.115 -12.965 1.00 85.31 O +ATOM 143 CB PRO A 23 8.505 -4.503 -13.979 1.00 86.25 C +ATOM 144 CG PRO A 23 7.496 -3.421 -14.082 1.00 83.62 C +ATOM 145 CD PRO A 23 7.120 -3.089 -12.668 1.00 86.09 C +HETATM 146 N HYP A 24 11.569 -3.919 -13.308 1.00 90.07 N +HETATM 147 CA HYP A 24 12.803 -3.190 -13.574 1.00 85.03 C +HETATM 148 C HYP A 24 12.635 -1.801 -13.975 1.00 86.15 C +HETATM 149 O HYP A 24 12.888 -1.414 -15.123 1.00 80.85 O +HETATM 150 CB HYP A 24 13.600 -4.078 -14.458 1.00 84.84 C +HETATM 151 CG HYP A 24 13.022 -5.456 -14.320 1.00 83.54 C +HETATM 152 CD HYP A 24 11.592 -5.255 -13.820 1.00 88.45 C +HETATM 153 OD1 HYP A 24 13.702 -6.185 -13.305 1.00 82.95 O +HETATM 154 OXT HYP A 24 12.274 -1.029 -13.073 1.00 78.41 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_496.txt b/protein_pdb_496.txt new file mode 100644 index 0000000000000000000000000000000000000000..35a654eca1b2b6759729f6426843eead763dc100 --- /dev/null +++ b/protein_pdb_496.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 14.887 -0.253 3.563 1.00 85.20 N +ATOM 2 CA GLY A 1 14.324 0.431 2.413 1.00 88.02 C +ATOM 3 C GLY A 1 13.081 1.199 2.784 1.00 90.01 C +ATOM 4 O GLY A 1 12.593 1.099 3.904 1.00 87.43 O +ATOM 5 N PRO A 2 12.482 1.982 1.847 1.00 89.50 N +ATOM 6 CA PRO A 2 11.301 2.783 2.125 1.00 91.08 C +ATOM 7 C PRO A 2 10.052 1.918 2.223 1.00 91.54 C +ATOM 8 O PRO A 2 10.031 0.776 1.788 1.00 89.41 O +ATOM 9 CB PRO A 2 11.227 3.718 0.924 1.00 87.69 C +ATOM 10 CG PRO A 2 11.857 2.944 -0.169 1.00 83.75 C +ATOM 11 CD PRO A 2 12.959 2.150 0.474 1.00 86.35 C +HETATM 12 N HYP A 3 9.045 2.509 2.816 1.00 90.68 N +HETATM 13 CA HYP A 3 7.747 1.831 2.870 1.00 88.18 C +HETATM 14 C HYP A 3 7.236 1.525 1.483 1.00 89.47 C +HETATM 15 O HYP A 3 7.496 2.295 0.519 1.00 92.44 O +HETATM 16 CB HYP A 3 6.818 2.922 3.516 1.00 88.52 C +HETATM 17 CG HYP A 3 7.750 3.811 4.307 1.00 84.54 C +HETATM 18 CD HYP A 3 9.038 3.826 3.414 1.00 90.27 C +HETATM 19 OD1 HYP A 3 8.057 3.184 5.517 1.00 87.40 O +ATOM 20 N GLY A 4 6.595 0.382 1.365 1.00 91.52 N +ATOM 21 CA GLY A 4 5.999 0.017 0.104 1.00 90.88 C +ATOM 22 C GLY A 4 4.836 0.931 -0.241 1.00 91.60 C +ATOM 23 O GLY A 4 4.347 1.691 0.591 1.00 91.67 O +ATOM 24 N PRO A 5 4.391 0.864 -1.488 1.00 92.11 N +ATOM 25 CA PRO A 5 3.270 1.688 -1.913 1.00 92.28 C +ATOM 26 C PRO A 5 1.969 1.214 -1.292 1.00 92.23 C +ATOM 27 O PRO A 5 1.872 0.093 -0.812 1.00 90.45 O +ATOM 28 CB PRO A 5 3.258 1.510 -3.431 1.00 89.97 C +ATOM 29 CG PRO A 5 3.820 0.147 -3.626 1.00 88.67 C +ATOM 30 CD PRO A 5 4.863 -0.011 -2.558 1.00 91.24 C +HETATM 31 N HYP A 6 0.984 2.116 -1.293 1.00 92.55 N +HETATM 32 CA HYP A 6 -0.328 1.717 -0.844 1.00 92.59 C +HETATM 33 C HYP A 6 -0.836 0.562 -1.631 1.00 92.19 C +HETATM 34 O HYP A 6 -0.518 0.421 -2.845 1.00 92.00 O +HETATM 35 CB HYP A 6 -1.173 3.002 -1.168 1.00 88.26 C +HETATM 36 CG HYP A 6 -0.199 4.129 -1.147 1.00 88.06 C +HETATM 37 CD HYP A 6 1.060 3.494 -1.748 1.00 91.09 C +HETATM 38 OD1 HYP A 6 0.068 4.509 0.182 1.00 86.81 O +ATOM 39 N GLY A 7 -1.544 -0.323 -0.977 1.00 92.01 N +ATOM 40 CA GLY A 7 -2.133 -1.450 -1.649 1.00 90.69 C +ATOM 41 C GLY A 7 -3.110 -1.002 -2.714 1.00 91.72 C +ATOM 42 O GLY A 7 -3.538 0.148 -2.755 1.00 91.40 O +ATOM 43 N PRO A 8 -3.465 -1.923 -3.598 1.00 92.62 N +ATOM 44 CA PRO A 8 -4.389 -1.568 -4.665 1.00 92.26 C +ATOM 45 C PRO A 8 -5.784 -1.332 -4.121 1.00 92.54 C +ATOM 46 O PRO A 8 -6.153 -1.828 -3.064 1.00 89.87 O +ATOM 47 CB PRO A 8 -4.352 -2.788 -5.587 1.00 89.64 C +ATOM 48 CG PRO A 8 -4.007 -3.909 -4.680 1.00 88.28 C +ATOM 49 CD PRO A 8 -3.066 -3.324 -3.652 1.00 90.91 C +HETATM 50 N HYP A 9 -6.550 -0.572 -4.880 1.00 88.97 N +HETATM 51 CA HYP A 9 -7.902 -0.340 -4.528 1.00 90.28 C +HETATM 52 C HYP A 9 -8.691 -1.611 -4.610 1.00 90.47 C +HETATM 53 O HYP A 9 -8.498 -2.414 -5.542 1.00 89.39 O +HETATM 54 CB HYP A 9 -8.396 0.615 -5.694 1.00 84.86 C +HETATM 55 CG HYP A 9 -7.150 1.237 -6.262 1.00 84.26 C +HETATM 56 CD HYP A 9 -6.122 0.184 -6.095 1.00 88.66 C +HETATM 57 OD1 HYP A 9 -6.787 2.344 -5.475 1.00 83.85 O +ATOM 58 N GLY A 10 -9.508 -1.932 -3.626 1.00 88.41 N +ATOM 59 CA GLY A 10 -10.441 -3.032 -3.728 1.00 84.90 C +ATOM 60 C GLY A 10 -11.591 -2.652 -4.637 1.00 85.69 C +ATOM 61 O GLY A 10 -11.654 -1.551 -5.180 1.00 83.22 O +ATOM 62 N ASP A 11 -12.514 -3.578 -4.796 1.00 86.01 N +ATOM 63 CA ASP A 11 -13.685 -3.258 -5.607 1.00 87.55 C +ATOM 64 C ASP A 11 -14.486 -2.127 -4.993 1.00 87.74 C +ATOM 65 O ASP A 11 -15.082 -1.322 -5.715 1.00 84.48 O +ATOM 66 CB ASP A 11 -14.574 -4.488 -5.754 1.00 84.48 C +ATOM 67 CG ASP A 11 -13.968 -5.546 -6.659 1.00 79.02 C +ATOM 68 OD1 ASP A 11 -13.119 -5.207 -7.508 1.00 77.67 O +ATOM 69 OD2 ASP A 11 -14.354 -6.726 -6.519 1.00 75.52 O +ATOM 70 N TYR A 12 -14.489 -2.059 -3.669 1.00 87.50 N +ATOM 71 CA TYR A 12 -15.257 -1.041 -2.961 1.00 88.81 C +ATOM 72 C TYR A 12 -14.489 -0.376 -1.830 1.00 87.62 C +ATOM 73 O TYR A 12 -14.772 0.772 -1.489 1.00 83.74 O +ATOM 74 CB TYR A 12 -16.544 -1.665 -2.400 1.00 86.23 C +ATOM 75 CG TYR A 12 -17.447 -2.205 -3.474 1.00 83.53 C +ATOM 76 CD1 TYR A 12 -18.276 -1.352 -4.192 1.00 81.30 C +ATOM 77 CD2 TYR A 12 -17.464 -3.556 -3.793 1.00 78.14 C +ATOM 78 CE1 TYR A 12 -19.098 -1.829 -5.204 1.00 77.05 C +ATOM 79 CE2 TYR A 12 -18.278 -4.041 -4.805 1.00 78.41 C +ATOM 80 CZ TYR A 12 -19.100 -3.178 -5.505 1.00 76.93 C +ATOM 81 OH TYR A 12 -19.907 -3.650 -6.508 1.00 74.86 O +ATOM 82 N GLY A 13 -13.556 -1.069 -1.227 1.00 89.99 N +ATOM 83 CA GLY A 13 -12.836 -0.536 -0.091 1.00 88.59 C +ATOM 84 C GLY A 13 -11.735 0.426 -0.468 1.00 89.73 C +ATOM 85 O GLY A 13 -11.391 0.585 -1.640 1.00 89.13 O +ATOM 86 N PRO A 14 -11.172 1.091 0.535 1.00 91.02 N +ATOM 87 CA PRO A 14 -10.071 2.019 0.298 1.00 90.87 C +ATOM 88 C PRO A 14 -8.791 1.272 -0.036 1.00 91.41 C +ATOM 89 O PRO A 14 -8.688 0.062 0.155 1.00 89.59 O +ATOM 90 CB PRO A 14 -9.943 2.750 1.631 1.00 88.16 C +ATOM 91 CG PRO A 14 -10.386 1.747 2.634 1.00 87.38 C +ATOM 92 CD PRO A 14 -11.490 0.973 1.963 1.00 88.48 C +HETATM 93 N HYP A 15 -7.827 2.062 -0.493 1.00 90.69 N +HETATM 94 CA HYP A 15 -6.520 1.468 -0.750 1.00 91.47 C +HETATM 95 C HYP A 15 -5.944 0.900 0.505 1.00 91.08 C +HETATM 96 O HYP A 15 -6.250 1.394 1.616 1.00 90.82 O +HETATM 97 CB HYP A 15 -5.723 2.729 -1.190 1.00 87.46 C +HETATM 98 CG HYP A 15 -6.768 3.701 -1.737 1.00 85.04 C +HETATM 99 CD HYP A 15 -7.932 3.482 -0.794 1.00 88.66 C +HETATM 100 OD1 HYP A 15 -7.138 3.351 -3.037 1.00 87.07 O +ATOM 101 N GLY A 16 -5.188 -0.170 0.354 1.00 93.00 N +ATOM 102 CA GLY A 16 -4.533 -0.755 1.497 1.00 92.45 C +ATOM 103 C GLY A 16 -3.474 0.169 2.060 1.00 93.21 C +ATOM 104 O GLY A 16 -3.098 1.162 1.441 1.00 92.62 O +ATOM 105 N PRO A 17 -2.993 -0.156 3.254 1.00 91.44 N +ATOM 106 CA PRO A 17 -1.950 0.651 3.873 1.00 91.49 C +ATOM 107 C PRO A 17 -0.631 0.483 3.148 1.00 92.33 C +ATOM 108 O PRO A 17 -0.439 -0.453 2.386 1.00 90.60 O +ATOM 109 CB PRO A 17 -1.881 0.103 5.295 1.00 89.12 C +ATOM 110 CG PRO A 17 -2.299 -1.318 5.144 1.00 88.01 C +ATOM 111 CD PRO A 17 -3.350 -1.312 4.073 1.00 89.59 C +HETATM 112 N HYP A 18 0.273 1.435 3.401 1.00 89.37 N +HETATM 113 CA HYP A 18 1.584 1.282 2.879 1.00 88.68 C +HETATM 114 C HYP A 18 2.215 -0.014 3.298 1.00 89.46 C +HETATM 115 O HYP A 18 1.957 -0.495 4.431 1.00 89.75 O +HETATM 116 CB HYP A 18 2.336 2.470 3.517 1.00 85.28 C +HETATM 117 CG HYP A 18 1.278 3.503 3.804 1.00 84.42 C +HETATM 118 CD HYP A 18 0.090 2.626 4.191 1.00 89.69 C +HETATM 119 OD1 HYP A 18 0.958 4.216 2.616 1.00 86.37 O +ATOM 120 N GLY A 19 2.951 -0.630 2.412 1.00 88.52 N +ATOM 121 CA GLY A 19 3.650 -1.847 2.733 1.00 88.15 C +ATOM 122 C GLY A 19 4.716 -1.609 3.778 1.00 89.31 C +ATOM 123 O GLY A 19 5.067 -0.473 4.085 1.00 89.71 O +ATOM 124 N PRO A 20 5.246 -2.688 4.335 1.00 87.10 N +ATOM 125 CA PRO A 20 6.291 -2.555 5.332 1.00 87.46 C +ATOM 126 C PRO A 20 7.585 -2.066 4.703 1.00 88.02 C +ATOM 127 O PRO A 20 7.774 -2.150 3.496 1.00 87.16 O +ATOM 128 CB PRO A 20 6.444 -3.975 5.869 1.00 83.87 C +ATOM 129 CG PRO A 20 6.031 -4.832 4.727 1.00 80.18 C +ATOM 130 CD PRO A 20 4.932 -4.082 4.033 1.00 83.72 C +HETATM 131 N HYP A 21 8.430 -1.538 5.550 1.00 86.76 N +HETATM 132 CA HYP A 21 9.730 -1.140 5.068 1.00 84.79 C +HETATM 133 C HYP A 21 10.493 -2.268 4.409 1.00 85.37 C +HETATM 134 O HYP A 21 10.354 -3.417 4.837 1.00 90.84 O +HETATM 135 CB HYP A 21 10.446 -0.668 6.340 1.00 84.41 C +HETATM 136 CG HYP A 21 9.341 -0.263 7.296 1.00 78.31 C +HETATM 137 CD HYP A 21 8.242 -1.257 6.977 1.00 86.59 C +HETATM 138 OD1 HYP A 21 8.862 1.039 6.947 1.00 82.87 O +ATOM 139 N GLY A 22 11.177 -1.980 3.342 1.00 84.64 N +ATOM 140 CA GLY A 22 12.002 -2.959 2.697 1.00 81.87 C +ATOM 141 C GLY A 22 13.214 -3.293 3.558 1.00 82.02 C +ATOM 142 O GLY A 22 13.419 -2.715 4.622 1.00 81.81 O +ATOM 143 N PRO A 23 14.049 -4.226 3.102 1.00 87.20 N +ATOM 144 CA PRO A 23 15.252 -4.545 3.859 1.00 87.29 C +ATOM 145 C PRO A 23 16.149 -3.321 3.936 1.00 85.92 C +ATOM 146 O PRO A 23 16.311 -2.602 2.950 1.00 81.59 O +ATOM 147 CB PRO A 23 15.887 -5.682 3.063 1.00 82.12 C +ATOM 148 CG PRO A 23 15.336 -5.538 1.703 1.00 78.21 C +ATOM 149 CD PRO A 23 13.959 -4.969 1.860 1.00 83.02 C +HETATM 150 N HYP A 24 16.681 -3.003 5.010 1.00 91.19 N +HETATM 151 CA HYP A 24 17.365 -1.736 5.154 1.00 81.52 C +HETATM 152 C HYP A 24 16.956 -0.626 4.330 1.00 89.08 C +HETATM 153 O HYP A 24 17.673 -0.348 3.351 1.00 85.64 O +HETATM 154 CB HYP A 24 18.045 -1.691 6.390 1.00 82.87 C +HETATM 155 CG HYP A 24 18.247 -3.177 6.703 1.00 81.40 C +HETATM 156 CD HYP A 24 17.136 -3.934 5.936 1.00 87.79 C +HETATM 157 OD1 HYP A 24 18.111 -3.414 8.062 1.00 84.26 O +HETATM 158 OXT HYP A 24 16.130 0.264 4.797 1.00 85.22 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_497.txt b/protein_pdb_497.txt new file mode 100644 index 0000000000000000000000000000000000000000..d86d7b3b002d1cbb0ab128fbc442fbdda304f47d --- /dev/null +++ b/protein_pdb_497.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 9.549 -4.653 -10.462 1.00 82.04 N +ATOM 2 CA GLY A 1 9.364 -3.216 -10.404 1.00 85.20 C +ATOM 3 C GLY A 1 9.357 -2.724 -8.981 1.00 87.40 C +ATOM 4 O GLY A 1 9.480 -3.510 -8.036 1.00 85.10 O +ATOM 5 N PRO A 2 9.182 -1.405 -8.722 1.00 83.61 N +ATOM 6 CA PRO A 2 9.174 -0.822 -7.384 1.00 85.77 C +ATOM 7 C PRO A 2 7.918 -1.185 -6.612 1.00 86.01 C +ATOM 8 O PRO A 2 6.921 -1.608 -7.184 1.00 83.78 O +ATOM 9 CB PRO A 2 9.244 0.679 -7.654 1.00 82.45 C +ATOM 10 CG PRO A 2 8.624 0.829 -8.991 1.00 78.48 C +ATOM 11 CD PRO A 2 9.015 -0.395 -9.763 1.00 80.43 C +HETATM 12 N HYP A 3 8.008 -1.027 -5.314 1.00 87.17 N +HETATM 13 CA HYP A 3 6.814 -1.239 -4.478 1.00 84.15 C +HETATM 14 C HYP A 3 5.707 -0.322 -4.886 1.00 88.77 C +HETATM 15 O HYP A 3 5.947 0.806 -5.379 1.00 90.28 O +HETATM 16 CB HYP A 3 7.354 -0.890 -3.058 1.00 87.80 C +HETATM 17 CG HYP A 3 8.825 -1.243 -3.130 1.00 83.76 C +HETATM 18 CD HYP A 3 9.193 -0.776 -4.549 1.00 85.09 C +HETATM 19 OD1 HYP A 3 8.959 -2.636 -3.059 1.00 86.01 O +ATOM 20 N GLY A 4 4.498 -0.834 -4.750 1.00 90.54 N +ATOM 21 CA GLY A 4 3.338 -0.038 -5.047 1.00 89.85 C +ATOM 22 C GLY A 4 3.188 1.106 -4.062 1.00 90.72 C +ATOM 23 O GLY A 4 3.867 1.163 -3.040 1.00 90.72 O +ATOM 24 N PRO A 5 2.291 2.033 -4.368 1.00 89.01 N +ATOM 25 CA PRO A 5 2.077 3.169 -3.485 1.00 89.37 C +ATOM 26 C PRO A 5 1.375 2.754 -2.204 1.00 89.20 C +ATOM 27 O PRO A 5 0.767 1.692 -2.125 1.00 87.47 O +ATOM 28 CB PRO A 5 1.204 4.093 -4.323 1.00 87.39 C +ATOM 29 CG PRO A 5 0.463 3.175 -5.221 1.00 85.37 C +ATOM 30 CD PRO A 5 1.423 2.067 -5.540 1.00 87.44 C +HETATM 31 N HYP A 6 1.484 3.624 -1.199 1.00 89.57 N +HETATM 32 CA HYP A 6 0.764 3.374 0.036 1.00 90.15 C +HETATM 33 C HYP A 6 -0.714 3.301 -0.176 1.00 92.19 C +HETATM 34 O HYP A 6 -1.272 3.996 -1.050 1.00 90.60 O +HETATM 35 CB HYP A 6 1.125 4.644 0.879 1.00 86.69 C +HETATM 36 CG HYP A 6 2.459 5.072 0.335 1.00 85.69 C +HETATM 37 CD HYP A 6 2.297 4.823 -1.159 1.00 88.74 C +HETATM 38 OD1 HYP A 6 3.470 4.220 0.847 1.00 85.39 O +ATOM 39 N GLY A 7 -1.339 2.432 0.566 1.00 91.71 N +ATOM 40 CA GLY A 7 -2.772 2.328 0.510 1.00 91.16 C +ATOM 41 C GLY A 7 -3.438 3.583 1.031 1.00 91.70 C +ATOM 42 O GLY A 7 -2.793 4.455 1.620 1.00 91.12 O +ATOM 43 N PRO A 8 -4.722 3.690 0.816 1.00 89.00 N +ATOM 44 CA PRO A 8 -5.442 4.862 1.286 1.00 89.26 C +ATOM 45 C PRO A 8 -5.580 4.862 2.803 1.00 89.51 C +ATOM 46 O PRO A 8 -5.484 3.827 3.448 1.00 86.93 O +ATOM 47 CB PRO A 8 -6.805 4.739 0.611 1.00 86.59 C +ATOM 48 CG PRO A 8 -6.979 3.274 0.437 1.00 85.15 C +ATOM 49 CD PRO A 8 -5.606 2.735 0.141 1.00 87.34 C +HETATM 50 N HYP A 9 -5.817 6.041 3.353 1.00 87.38 N +HETATM 51 CA HYP A 9 -6.048 6.153 4.756 1.00 87.59 C +HETATM 52 C HYP A 9 -7.311 5.449 5.149 1.00 89.29 C +HETATM 53 O HYP A 9 -8.292 5.413 4.386 1.00 87.86 O +HETATM 54 CB HYP A 9 -6.212 7.677 4.966 1.00 84.93 C +HETATM 55 CG HYP A 9 -5.493 8.298 3.833 1.00 83.47 C +HETATM 56 CD HYP A 9 -5.724 7.371 2.706 1.00 86.54 C +HETATM 57 OD1 HYP A 9 -4.118 8.330 4.135 1.00 82.01 O +ATOM 58 N GLY A 10 -7.331 4.826 6.281 1.00 89.40 N +ATOM 59 CA GLY A 10 -8.571 4.336 6.840 1.00 86.85 C +ATOM 60 C GLY A 10 -9.436 5.508 7.249 1.00 86.86 C +ATOM 61 O GLY A 10 -9.024 6.668 7.169 1.00 84.84 O +ATOM 62 N THR A 11 -10.624 5.211 7.704 1.00 87.74 N +ATOM 63 CA THR A 11 -11.509 6.301 8.116 1.00 89.73 C +ATOM 64 C THR A 11 -10.878 7.156 9.207 1.00 89.94 C +ATOM 65 O THR A 11 -11.069 8.371 9.234 1.00 87.07 O +ATOM 66 CB THR A 11 -12.857 5.754 8.592 1.00 86.39 C +ATOM 67 OG1 THR A 11 -12.643 4.802 9.628 1.00 82.59 O +ATOM 68 CG2 THR A 11 -13.603 5.089 7.449 1.00 80.01 C +ATOM 69 N ASP A 12 -10.124 6.528 10.082 1.00 88.37 N +ATOM 70 CA ASP A 12 -9.450 7.217 11.183 1.00 89.50 C +ATOM 71 C ASP A 12 -8.035 6.674 11.368 1.00 90.04 C +ATOM 72 O ASP A 12 -7.571 6.530 12.492 1.00 84.63 O +ATOM 73 CB ASP A 12 -10.242 7.053 12.483 1.00 86.82 C +ATOM 74 CG ASP A 12 -11.619 7.689 12.408 1.00 80.20 C +ATOM 75 OD1 ASP A 12 -12.592 6.967 12.137 1.00 79.03 O +ATOM 76 OD2 ASP A 12 -11.708 8.921 12.633 1.00 77.11 O +ATOM 77 N GLY A 13 -7.353 6.350 10.281 1.00 91.76 N +ATOM 78 CA GLY A 13 -6.076 5.668 10.404 1.00 90.40 C +ATOM 79 C GLY A 13 -5.060 6.057 9.358 1.00 91.21 C +ATOM 80 O GLY A 13 -5.352 6.809 8.432 1.00 90.55 O +ATOM 81 N PRO A 14 -3.849 5.548 9.521 1.00 91.13 N +ATOM 82 CA PRO A 14 -2.761 5.853 8.609 1.00 90.97 C +ATOM 83 C PRO A 14 -2.940 5.164 7.266 1.00 91.42 C +ATOM 84 O PRO A 14 -3.759 4.271 7.113 1.00 89.24 O +ATOM 85 CB PRO A 14 -1.532 5.315 9.338 1.00 88.67 C +ATOM 86 CG PRO A 14 -2.058 4.166 10.120 1.00 87.42 C +ATOM 87 CD PRO A 14 -3.426 4.602 10.568 1.00 88.63 C +HETATM 88 N HYP A 15 -2.107 5.608 6.345 1.00 91.18 N +HETATM 89 CA HYP A 15 -2.087 4.950 5.055 1.00 89.85 C +HETATM 90 C HYP A 15 -1.717 3.516 5.169 1.00 92.75 C +HETATM 91 O HYP A 15 -0.980 3.123 6.102 1.00 91.62 O +HETATM 92 CB HYP A 15 -0.974 5.759 4.325 1.00 87.36 C +HETATM 93 CG HYP A 15 -0.956 7.096 5.018 1.00 85.53 C +HETATM 94 CD HYP A 15 -1.218 6.730 6.458 1.00 89.93 C +HETATM 95 OD1 HYP A 15 -1.987 7.897 4.533 1.00 87.45 O +ATOM 96 N GLY A 16 -2.231 2.717 4.274 1.00 92.94 N +ATOM 97 CA GLY A 16 -1.868 1.330 4.235 1.00 92.59 C +ATOM 98 C GLY A 16 -0.430 1.149 3.813 1.00 93.43 C +ATOM 99 O GLY A 16 0.236 2.092 3.385 1.00 92.76 O +ATOM 100 N PRO A 17 0.072 -0.079 3.929 1.00 90.42 N +ATOM 101 CA PRO A 17 1.448 -0.352 3.547 1.00 90.16 C +ATOM 102 C PRO A 17 1.629 -0.286 2.043 1.00 90.92 C +ATOM 103 O PRO A 17 0.670 -0.379 1.285 1.00 89.23 O +ATOM 104 CB PRO A 17 1.690 -1.762 4.080 1.00 88.27 C +ATOM 105 CG PRO A 17 0.343 -2.381 4.074 1.00 86.89 C +ATOM 106 CD PRO A 17 -0.616 -1.273 4.411 1.00 88.35 C +HETATM 107 N HYP A 18 2.895 -0.116 1.614 1.00 86.85 N +HETATM 108 CA HYP A 18 3.181 -0.169 0.227 1.00 89.47 C +HETATM 109 C HYP A 18 2.800 -1.463 -0.400 1.00 91.25 C +HETATM 110 O HYP A 18 2.849 -2.525 0.255 1.00 90.24 O +HETATM 111 CB HYP A 18 4.729 0.011 0.213 1.00 86.94 C +HETATM 112 CG HYP A 18 5.017 0.789 1.463 1.00 84.34 C +HETATM 113 CD HYP A 18 4.024 0.183 2.437 1.00 88.71 C +HETATM 114 OD1 HYP A 18 4.689 2.156 1.254 1.00 87.15 O +ATOM 115 N GLY A 19 2.392 -1.420 -1.635 1.00 90.22 N +ATOM 116 CA GLY A 19 2.082 -2.613 -2.372 1.00 89.86 C +ATOM 117 C GLY A 19 3.332 -3.432 -2.640 1.00 90.62 C +ATOM 118 O GLY A 19 4.453 -2.982 -2.426 1.00 90.66 O +ATOM 119 N PRO A 20 3.137 -4.648 -3.109 1.00 84.91 N +ATOM 120 CA PRO A 20 4.272 -5.508 -3.404 1.00 84.88 C +ATOM 121 C PRO A 20 5.022 -5.020 -4.630 1.00 85.41 C +ATOM 122 O PRO A 20 4.515 -4.231 -5.416 1.00 85.31 O +ATOM 123 CB PRO A 20 3.618 -6.869 -3.647 1.00 82.14 C +ATOM 124 CG PRO A 20 2.259 -6.529 -4.141 1.00 78.99 C +ATOM 125 CD PRO A 20 1.860 -5.283 -3.408 1.00 80.46 C +HETATM 126 N HYP A 21 6.266 -5.503 -4.777 1.00 86.16 N +HETATM 127 CA HYP A 21 7.020 -5.186 -5.945 1.00 85.99 C +HETATM 128 C HYP A 21 6.329 -5.544 -7.232 1.00 87.79 C +HETATM 129 O HYP A 21 5.617 -6.557 -7.274 1.00 89.11 O +HETATM 130 CB HYP A 21 8.313 -6.001 -5.799 1.00 82.64 C +HETATM 131 CG HYP A 21 8.471 -6.153 -4.304 1.00 79.39 C +HETATM 132 CD HYP A 21 7.044 -6.323 -3.835 1.00 84.46 C +HETATM 133 OD1 HYP A 21 8.961 -4.920 -3.758 1.00 81.95 O +ATOM 134 N GLY A 22 6.428 -4.697 -8.222 1.00 85.04 N +ATOM 135 CA GLY A 22 5.867 -4.964 -9.511 1.00 82.78 C +ATOM 136 C GLY A 22 6.601 -6.092 -10.212 1.00 82.90 C +ATOM 137 O GLY A 22 7.593 -6.612 -9.704 1.00 82.07 O +ATOM 138 N PRO A 23 6.132 -6.467 -11.385 1.00 85.73 N +ATOM 139 CA PRO A 23 6.783 -7.541 -12.127 1.00 85.78 C +ATOM 140 C PRO A 23 8.164 -7.125 -12.590 1.00 84.74 C +ATOM 141 O PRO A 23 8.477 -5.947 -12.683 1.00 80.78 O +ATOM 142 CB PRO A 23 5.840 -7.788 -13.296 1.00 81.58 C +ATOM 143 CG PRO A 23 5.158 -6.481 -13.489 1.00 78.94 C +ATOM 144 CD PRO A 23 5.010 -5.901 -12.113 1.00 80.75 C +HETATM 145 N HYP A 24 8.988 -7.993 -12.853 1.00 87.29 N +HETATM 146 CA HYP A 24 10.341 -7.657 -13.305 1.00 79.11 C +HETATM 147 C HYP A 24 10.472 -6.325 -13.880 1.00 83.86 C +HETATM 148 O HYP A 24 10.712 -6.152 -15.063 1.00 79.61 O +HETATM 149 CB HYP A 24 10.811 -8.780 -14.110 1.00 82.70 C +HETATM 150 CG HYP A 24 9.988 -9.950 -13.707 1.00 80.42 C +HETATM 151 CD HYP A 24 8.681 -9.335 -13.236 1.00 84.37 C +HETATM 152 OD1 HYP A 24 10.567 -10.599 -12.576 1.00 81.11 O +HETATM 153 OXT HYP A 24 10.430 -5.373 -13.078 1.00 77.10 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_498.txt b/protein_pdb_498.txt new file mode 100644 index 0000000000000000000000000000000000000000..a3bbfd3c406c617138bd8ca6e57da953ea1db3cd --- /dev/null +++ b/protein_pdb_498.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -7.848 14.078 2.769 1.00 72.64 N +ATOM 2 CA GLY A 1 -8.629 13.079 2.054 1.00 75.93 C +ATOM 3 C GLY A 1 -8.540 11.727 2.716 1.00 77.93 C +ATOM 4 O GLY A 1 -7.894 11.582 3.754 1.00 75.51 O +ATOM 5 N PRO A 2 -9.144 10.723 2.129 1.00 71.04 N +ATOM 6 CA PRO A 2 -9.155 9.392 2.727 1.00 74.68 C +ATOM 7 C PRO A 2 -7.796 8.722 2.631 1.00 75.13 C +ATOM 8 O PRO A 2 -6.955 9.091 1.828 1.00 73.36 O +ATOM 9 CB PRO A 2 -10.198 8.644 1.905 1.00 71.60 C +ATOM 10 CG PRO A 2 -10.194 9.332 0.593 1.00 66.06 C +ATOM 11 CD PRO A 2 -9.906 10.778 0.883 1.00 66.45 C +HETATM 12 N HYP A 3 -7.628 7.779 3.473 1.00 78.37 N +HETATM 13 CA HYP A 3 -6.423 6.933 3.394 1.00 78.96 C +HETATM 14 C HYP A 3 -6.283 6.265 2.063 1.00 82.48 C +HETATM 15 O HYP A 3 -7.295 5.978 1.372 1.00 82.72 O +HETATM 16 CB HYP A 3 -6.702 5.894 4.516 1.00 78.85 C +HETATM 17 CG HYP A 3 -7.589 6.627 5.514 1.00 72.80 C +HETATM 18 CD HYP A 3 -8.507 7.460 4.576 1.00 76.98 C +HETATM 19 OD1 HYP A 3 -6.800 7.505 6.280 1.00 78.02 O +ATOM 20 N GLY A 4 -5.074 6.069 1.633 1.00 82.70 N +ATOM 21 CA GLY A 4 -4.814 5.389 0.393 1.00 81.55 C +ATOM 22 C GLY A 4 -5.157 3.917 0.479 1.00 81.51 C +ATOM 23 O GLY A 4 -5.479 3.395 1.551 1.00 80.69 O +ATOM 24 N PRO A 5 -5.086 3.237 -0.643 1.00 81.64 N +ATOM 25 CA PRO A 5 -5.388 1.811 -0.654 1.00 81.16 C +ATOM 26 C PRO A 5 -4.296 1.006 0.027 1.00 80.64 C +ATOM 27 O PRO A 5 -3.185 1.475 0.223 1.00 78.29 O +ATOM 28 CB PRO A 5 -5.482 1.487 -2.138 1.00 78.09 C +ATOM 29 CG PRO A 5 -4.597 2.492 -2.789 1.00 75.50 C +ATOM 30 CD PRO A 5 -4.719 3.737 -1.967 1.00 76.53 C +HETATM 31 N HYP A 6 -4.652 -0.196 0.367 1.00 84.28 N +HETATM 32 CA HYP A 6 -3.655 -1.125 0.910 1.00 84.48 C +HETATM 33 C HYP A 6 -2.518 -1.340 -0.007 1.00 85.47 C +HETATM 34 O HYP A 6 -2.684 -1.305 -1.251 1.00 83.88 O +HETATM 35 CB HYP A 6 -4.531 -2.383 1.108 1.00 82.57 C +HETATM 36 CG HYP A 6 -5.954 -1.853 1.309 1.00 79.19 C +HETATM 37 CD HYP A 6 -6.002 -0.694 0.334 1.00 83.02 C +HETATM 38 OD1 HYP A 6 -6.123 -1.377 2.628 1.00 80.55 O +ATOM 39 N GLY A 7 -1.323 -1.468 0.515 1.00 80.72 N +ATOM 40 CA GLY A 7 -0.146 -1.700 -0.277 1.00 78.55 C +ATOM 41 C GLY A 7 -0.176 -3.061 -0.945 1.00 79.20 C +ATOM 42 O GLY A 7 -1.052 -3.884 -0.688 1.00 77.51 O +ATOM 43 N PRO A 8 0.801 -3.305 -1.799 1.00 76.54 N +ATOM 44 CA PRO A 8 0.849 -4.587 -2.483 1.00 77.05 C +ATOM 45 C PRO A 8 1.237 -5.713 -1.535 1.00 76.72 C +ATOM 46 O PRO A 8 1.832 -5.493 -0.494 1.00 73.79 O +ATOM 47 CB PRO A 8 1.907 -4.377 -3.565 1.00 73.65 C +ATOM 48 CG PRO A 8 2.763 -3.296 -3.036 1.00 72.64 C +ATOM 49 CD PRO A 8 1.878 -2.420 -2.205 1.00 72.83 C +HETATM 50 N HYP A 9 0.918 -6.947 -1.933 1.00 76.17 N +HETATM 51 CA HYP A 9 1.271 -8.084 -1.167 1.00 74.17 C +HETATM 52 C HYP A 9 2.774 -8.279 -1.074 1.00 76.88 C +HETATM 53 O HYP A 9 3.504 -7.925 -1.995 1.00 76.86 O +HETATM 54 CB HYP A 9 0.695 -9.256 -2.013 1.00 72.68 C +HETATM 55 CG HYP A 9 -0.437 -8.679 -2.768 1.00 71.94 C +HETATM 56 CD HYP A 9 0.030 -7.281 -3.068 1.00 75.96 C +HETATM 57 OD1 HYP A 9 -1.582 -8.613 -1.939 1.00 73.12 O +ATOM 58 N GLY A 10 3.265 -8.763 0.022 1.00 74.41 N +ATOM 59 CA GLY A 10 4.646 -9.135 0.154 1.00 70.55 C +ATOM 60 C GLY A 10 4.906 -10.452 -0.553 1.00 70.59 C +ATOM 61 O GLY A 10 4.150 -10.868 -1.435 1.00 66.71 O +ATOM 62 N CYS A 11 5.972 -11.117 -0.158 1.00 67.93 N +ATOM 63 CA CYS A 11 6.296 -12.394 -0.786 1.00 73.27 C +ATOM 64 C CYS A 11 5.112 -13.344 -0.737 1.00 73.11 C +ATOM 65 O CYS A 11 4.653 -13.849 -1.764 1.00 70.63 O +ATOM 66 CB CYS A 11 7.516 -13.014 -0.107 1.00 69.41 C +ATOM 67 SG CYS A 11 8.979 -11.991 -0.242 1.00 65.25 S +ATOM 68 N ASP A 12 4.631 -13.597 0.468 1.00 68.30 N +ATOM 69 CA ASP A 12 3.429 -14.386 0.693 1.00 72.37 C +ATOM 70 C ASP A 12 2.460 -13.647 1.597 1.00 72.69 C +ATOM 71 O ASP A 12 1.482 -14.232 2.054 1.00 68.59 O +ATOM 72 CB ASP A 12 3.785 -15.737 1.332 1.00 69.09 C +ATOM 73 CG ASP A 12 4.608 -16.615 0.412 1.00 64.31 C +ATOM 74 OD1 ASP A 12 4.081 -17.021 -0.640 1.00 62.85 O +ATOM 75 OD2 ASP A 12 5.767 -16.903 0.753 1.00 60.39 O +ATOM 76 N GLY A 13 2.752 -12.413 1.874 1.00 76.97 N +ATOM 77 CA GLY A 13 2.038 -11.684 2.895 1.00 74.54 C +ATOM 78 C GLY A 13 0.808 -10.970 2.404 1.00 75.51 C +ATOM 79 O GLY A 13 0.518 -10.924 1.205 1.00 75.32 O +ATOM 80 N PRO A 14 0.067 -10.432 3.344 1.00 76.81 N +ATOM 81 CA PRO A 14 -1.131 -9.681 3.014 1.00 76.68 C +ATOM 82 C PRO A 14 -0.785 -8.328 2.416 1.00 76.71 C +ATOM 83 O PRO A 14 0.366 -7.903 2.422 1.00 72.93 O +ATOM 84 CB PRO A 14 -1.817 -9.523 4.371 1.00 73.59 C +ATOM 85 CG PRO A 14 -0.687 -9.480 5.338 1.00 71.31 C +ATOM 86 CD PRO A 14 0.342 -10.427 4.787 1.00 70.23 C +HETATM 87 N HYP A 15 -1.810 -7.690 1.933 1.00 80.46 N +HETATM 88 CA HYP A 15 -1.632 -6.336 1.470 1.00 82.18 C +HETATM 89 C HYP A 15 -1.078 -5.467 2.542 1.00 80.68 C +HETATM 90 O HYP A 15 -1.284 -5.719 3.748 1.00 80.37 O +HETATM 91 CB HYP A 15 -3.096 -5.969 1.111 1.00 76.31 C +HETATM 92 CG HYP A 15 -3.728 -7.288 0.715 1.00 73.06 C +HETATM 93 CD HYP A 15 -3.140 -8.243 1.718 1.00 79.59 C +HETATM 94 OD1 HYP A 15 -3.354 -7.639 -0.570 1.00 77.86 O +ATOM 95 N GLY A 16 -0.309 -4.497 2.151 1.00 83.91 N +ATOM 96 CA GLY A 16 0.245 -3.570 3.098 1.00 82.05 C +ATOM 97 C GLY A 16 -0.822 -2.684 3.713 1.00 84.33 C +ATOM 98 O GLY A 16 -1.997 -2.758 3.347 1.00 84.03 O +ATOM 99 N PRO A 17 -0.394 -1.849 4.646 1.00 83.30 N +ATOM 100 CA PRO A 17 -1.337 -0.954 5.297 1.00 83.38 C +ATOM 101 C PRO A 17 -1.833 0.121 4.346 1.00 84.32 C +ATOM 102 O PRO A 17 -1.248 0.370 3.299 1.00 81.60 O +ATOM 103 CB PRO A 17 -0.528 -0.356 6.441 1.00 80.59 C +ATOM 104 CG PRO A 17 0.880 -0.469 6.007 1.00 79.90 C +ATOM 105 CD PRO A 17 0.962 -1.689 5.147 1.00 80.59 C +HETATM 106 N HYP A 18 -2.915 0.741 4.716 1.00 83.99 N +HETATM 107 CA HYP A 18 -3.427 1.837 3.965 1.00 86.68 C +HETATM 108 C HYP A 18 -2.444 2.923 3.773 1.00 86.45 C +HETATM 109 O HYP A 18 -1.602 3.168 4.679 1.00 84.53 O +HETATM 110 CB HYP A 18 -4.621 2.262 4.830 1.00 81.93 C +HETATM 111 CG HYP A 18 -5.054 1.008 5.560 1.00 80.47 C +HETATM 112 CD HYP A 18 -3.734 0.355 5.852 1.00 85.04 C +HETATM 113 OD1 HYP A 18 -5.798 0.173 4.686 1.00 82.14 O +ATOM 114 N GLY A 19 -2.452 3.531 2.650 1.00 84.40 N +ATOM 115 CA GLY A 19 -1.578 4.635 2.376 1.00 84.19 C +ATOM 116 C GLY A 19 -1.913 5.831 3.244 1.00 85.71 C +ATOM 117 O GLY A 19 -2.890 5.822 3.994 1.00 85.24 O +ATOM 118 N PRO A 20 -1.099 6.857 3.134 1.00 81.81 N +ATOM 119 CA PRO A 20 -1.329 8.039 3.942 1.00 82.05 C +ATOM 120 C PRO A 20 -2.579 8.779 3.507 1.00 82.41 C +ATOM 121 O PRO A 20 -3.049 8.632 2.386 1.00 79.86 O +ATOM 122 CB PRO A 20 -0.076 8.878 3.704 1.00 78.65 C +ATOM 123 CG PRO A 20 0.406 8.446 2.371 1.00 76.57 C +ATOM 124 CD PRO A 20 0.060 6.989 2.264 1.00 78.03 C +HETATM 125 N HYP A 21 -3.096 9.556 4.383 1.00 84.96 N +HETATM 126 CA HYP A 21 -4.210 10.390 4.082 1.00 84.88 C +HETATM 127 C HYP A 21 -3.946 11.367 2.980 1.00 84.86 C +HETATM 128 O HYP A 21 -2.797 11.824 2.845 1.00 85.41 O +HETATM 129 CB HYP A 21 -4.466 11.131 5.394 1.00 82.45 C +HETATM 130 CG HYP A 21 -3.930 10.194 6.478 1.00 80.41 C +HETATM 131 CD HYP A 21 -2.714 9.599 5.806 1.00 85.43 C +HETATM 132 OD1 HYP A 21 -4.856 9.144 6.715 1.00 83.05 O +ATOM 133 N GLY A 22 -4.867 11.577 2.141 1.00 81.01 N +ATOM 134 CA GLY A 22 -4.729 12.582 1.128 1.00 79.36 C +ATOM 135 C GLY A 22 -4.756 13.969 1.736 1.00 79.24 C +ATOM 136 O GLY A 22 -4.917 14.129 2.947 1.00 77.61 O +ATOM 137 N PRO A 23 -4.609 14.984 0.917 1.00 80.91 N +ATOM 138 CA PRO A 23 -4.672 16.344 1.429 1.00 82.26 C +ATOM 139 C PRO A 23 -6.047 16.648 1.979 1.00 81.83 C +ATOM 140 O PRO A 23 -7.030 16.005 1.624 1.00 77.81 O +ATOM 141 CB PRO A 23 -4.377 17.225 0.220 1.00 76.85 C +ATOM 142 CG PRO A 23 -4.054 16.314 -0.883 1.00 73.23 C +ATOM 143 CD PRO A 23 -4.427 14.932 -0.520 1.00 74.81 C +HETATM 144 N HYP A 24 -6.159 17.622 2.822 1.00 81.37 N +HETATM 145 CA HYP A 24 -7.504 17.917 3.289 1.00 83.12 C +HETATM 146 C HYP A 24 -8.464 17.874 2.197 1.00 81.19 C +HETATM 147 O HYP A 24 -8.342 18.741 1.306 1.00 79.69 O +HETATM 148 CB HYP A 24 -7.367 19.189 4.060 1.00 81.12 C +HETATM 149 CG HYP A 24 -5.903 19.285 4.460 1.00 80.44 C +HETATM 150 CD HYP A 24 -5.165 18.556 3.318 1.00 82.33 C +HETATM 151 OD1 HYP A 24 -5.684 18.555 5.671 1.00 78.47 O +HETATM 152 OXT HYP A 24 -9.264 16.918 2.235 1.00 75.74 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_499.txt b/protein_pdb_499.txt new file mode 100644 index 0000000000000000000000000000000000000000..be0edb025391ab8e32c530433dc1aff204824858 --- /dev/null +++ b/protein_pdb_499.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 13.372 -1.865 6.278 1.00 92.11 N +ATOM 2 CA GLY A 1 12.972 -1.137 5.125 1.00 93.24 C +ATOM 3 C GLY A 1 11.737 -0.285 5.353 1.00 94.43 C +ATOM 4 O GLY A 1 11.034 -0.444 6.341 1.00 93.25 O +ATOM 5 N PRO A 2 11.493 0.566 4.453 1.00 91.91 N +ATOM 6 CA PRO A 2 10.344 1.447 4.557 1.00 92.89 C +ATOM 7 C PRO A 2 9.047 0.720 4.256 1.00 93.13 C +ATOM 8 O PRO A 2 9.051 -0.389 3.726 1.00 91.46 O +ATOM 9 CB PRO A 2 10.645 2.517 3.507 1.00 90.68 C +ATOM 10 CG PRO A 2 11.401 1.764 2.467 1.00 88.33 C +ATOM 11 CD PRO A 2 12.277 0.821 3.248 1.00 89.89 C +HETATM 12 N HYP A 3 7.933 1.384 4.620 1.00 93.07 N +HETATM 13 CA HYP A 3 6.665 0.780 4.304 1.00 91.95 C +HETATM 14 C HYP A 3 6.468 0.636 2.807 1.00 93.95 C +HETATM 15 O HYP A 3 6.985 1.461 2.017 1.00 93.44 O +HETATM 16 CB HYP A 3 5.643 1.905 4.800 1.00 89.75 C +HETATM 17 CG HYP A 3 6.398 2.635 5.890 1.00 87.44 C +HETATM 18 CD HYP A 3 7.857 2.636 5.357 1.00 90.97 C +HETATM 19 OD1 HYP A 3 6.342 1.887 7.071 1.00 89.28 O +ATOM 20 N GLY A 4 5.829 -0.444 2.437 1.00 94.80 N +ATOM 21 CA GLY A 4 5.553 -0.667 1.047 1.00 94.45 C +ATOM 22 C GLY A 4 4.552 0.345 0.531 1.00 94.94 C +ATOM 23 O GLY A 4 3.926 1.071 1.303 1.00 95.07 O +ATOM 24 N PRO A 5 4.402 0.409 -0.789 1.00 94.50 N +ATOM 25 CA PRO A 5 3.461 1.350 -1.378 1.00 94.18 C +ATOM 26 C PRO A 5 2.024 0.941 -1.101 1.00 94.11 C +ATOM 27 O PRO A 5 1.748 -0.201 -0.757 1.00 92.95 O +ATOM 28 CB PRO A 5 3.785 1.285 -2.868 1.00 93.20 C +ATOM 29 CG PRO A 5 4.285 -0.107 -3.051 1.00 92.18 C +ATOM 30 CD PRO A 5 5.071 -0.394 -1.799 1.00 93.92 C +HETATM 31 N HYP A 6 1.112 1.935 -1.237 1.00 94.19 N +HETATM 32 CA HYP A 6 -0.278 1.598 -1.091 1.00 94.95 C +HETATM 33 C HYP A 6 -0.694 0.558 -2.085 1.00 93.66 C +HETATM 34 O HYP A 6 -0.148 0.502 -3.212 1.00 94.58 O +HETATM 35 CB HYP A 6 -0.982 2.954 -1.426 1.00 90.85 C +HETATM 36 CG HYP A 6 0.039 4.000 -1.048 1.00 89.83 C +HETATM 37 CD HYP A 6 1.350 3.350 -1.494 1.00 92.74 C +HETATM 38 OD1 HYP A 6 0.047 4.168 0.356 1.00 89.43 O +ATOM 39 N GLY A 7 -1.566 -0.322 -1.669 1.00 94.91 N +ATOM 40 CA GLY A 7 -2.064 -1.342 -2.544 1.00 94.86 C +ATOM 41 C GLY A 7 -2.838 -0.725 -3.694 1.00 95.42 C +ATOM 42 O GLY A 7 -3.169 0.458 -3.678 1.00 95.47 O +ATOM 43 N PRO A 8 -3.116 -1.520 -4.703 1.00 93.82 N +ATOM 44 CA PRO A 8 -3.849 -1.009 -5.848 1.00 93.86 C +ATOM 45 C PRO A 8 -5.294 -0.703 -5.490 1.00 94.11 C +ATOM 46 O PRO A 8 -5.839 -1.248 -4.538 1.00 92.39 O +ATOM 47 CB PRO A 8 -3.745 -2.131 -6.871 1.00 91.80 C +ATOM 48 CG PRO A 8 -3.641 -3.356 -6.030 1.00 90.21 C +ATOM 49 CD PRO A 8 -2.802 -2.931 -4.852 1.00 92.32 C +HETATM 50 N HYP A 9 -5.880 0.189 -6.267 1.00 93.67 N +HETATM 51 CA HYP A 9 -7.256 0.505 -6.060 1.00 93.99 C +HETATM 52 C HYP A 9 -8.114 -0.686 -6.301 1.00 94.35 C +HETATM 53 O HYP A 9 -7.844 -1.495 -7.196 1.00 94.00 O +HETATM 54 CB HYP A 9 -7.528 1.591 -7.149 1.00 90.36 C +HETATM 55 CG HYP A 9 -6.205 2.154 -7.516 1.00 89.44 C +HETATM 56 CD HYP A 9 -5.264 1.002 -7.341 1.00 92.76 C +HETATM 57 OD1 HYP A 9 -5.847 3.155 -6.578 1.00 90.13 O +ATOM 58 N GLY A 10 -9.150 -0.900 -5.519 1.00 93.13 N +ATOM 59 CA GLY A 10 -10.150 -1.879 -5.850 1.00 92.07 C +ATOM 60 C GLY A 10 -10.961 -1.316 -7.001 1.00 92.33 C +ATOM 61 O GLY A 10 -10.711 -0.214 -7.485 1.00 91.47 O +ATOM 62 N ILE A 11 -11.939 -2.044 -7.448 1.00 92.79 N +ATOM 63 CA ILE A 11 -12.786 -1.522 -8.508 1.00 93.21 C +ATOM 64 C ILE A 11 -13.644 -0.440 -7.866 1.00 93.25 C +ATOM 65 O ILE A 11 -14.590 -0.728 -7.141 1.00 91.24 O +ATOM 66 CB ILE A 11 -13.643 -2.636 -9.127 1.00 92.73 C +ATOM 67 CG1 ILE A 11 -12.714 -3.676 -9.773 1.00 89.79 C +ATOM 68 CG2 ILE A 11 -14.596 -2.053 -10.162 1.00 87.39 C +ATOM 69 CD1 ILE A 11 -13.433 -4.892 -10.293 1.00 82.30 C +ATOM 70 N ASN A 12 -13.242 0.797 -8.095 1.00 92.90 N +ATOM 71 CA ASN A 12 -13.847 1.974 -7.475 1.00 93.96 C +ATOM 72 C ASN A 12 -13.605 2.028 -5.972 1.00 94.08 C +ATOM 73 O ASN A 12 -14.142 2.892 -5.289 1.00 90.79 O +ATOM 74 CB ASN A 12 -15.355 2.042 -7.762 1.00 91.94 C +ATOM 75 CG ASN A 12 -15.659 1.950 -9.239 1.00 86.58 C +ATOM 76 OD1 ASN A 12 -16.341 1.032 -9.685 1.00 84.80 O +ATOM 77 ND2 ASN A 12 -15.144 2.891 -10.009 1.00 79.97 N +ATOM 78 N GLY A 13 -12.792 1.124 -5.475 1.00 95.11 N +ATOM 79 CA GLY A 13 -12.507 1.083 -4.055 1.00 94.81 C +ATOM 80 C GLY A 13 -11.258 1.860 -3.710 1.00 95.54 C +ATOM 81 O GLY A 13 -10.501 2.273 -4.587 1.00 95.36 O +ATOM 82 N PRO A 14 -11.019 2.071 -2.428 1.00 95.63 N +ATOM 83 CA PRO A 14 -9.845 2.817 -1.998 1.00 95.47 C +ATOM 84 C PRO A 14 -8.574 2.006 -2.184 1.00 95.61 C +ATOM 85 O PRO A 14 -8.608 0.784 -2.277 1.00 94.44 O +ATOM 86 CB PRO A 14 -10.124 3.095 -0.516 1.00 94.06 C +ATOM 87 CG PRO A 14 -10.943 1.928 -0.100 1.00 92.78 C +ATOM 88 CD PRO A 14 -11.824 1.634 -1.287 1.00 94.41 C +HETATM 89 N HYP A 15 -7.461 2.732 -2.224 1.00 94.37 N +HETATM 90 CA HYP A 15 -6.192 2.055 -2.280 1.00 94.76 C +HETATM 91 C HYP A 15 -5.982 1.218 -1.050 1.00 96.18 C +HETATM 92 O HYP A 15 -6.530 1.548 0.024 1.00 94.58 O +HETATM 93 CB HYP A 15 -5.227 3.271 -2.314 1.00 92.68 C +HETATM 94 CG HYP A 15 -6.019 4.399 -2.937 1.00 91.04 C +HETATM 95 CD HYP A 15 -7.394 4.189 -2.354 1.00 93.17 C +HETATM 96 OD1 HYP A 15 -6.056 4.262 -4.322 1.00 90.58 O +ATOM 97 N GLY A 16 -5.264 0.143 -1.211 1.00 95.53 N +ATOM 98 CA GLY A 16 -4.940 -0.675 -0.076 1.00 95.35 C +ATOM 99 C GLY A 16 -4.006 0.067 0.859 1.00 95.84 C +ATOM 100 O GLY A 16 -3.440 1.100 0.498 1.00 95.62 O +ATOM 101 N PRO A 17 -3.836 -0.452 2.066 1.00 94.01 N +ATOM 102 CA PRO A 17 -2.945 0.191 3.018 1.00 93.85 C +ATOM 103 C PRO A 17 -1.495 0.022 2.597 1.00 94.13 C +ATOM 104 O PRO A 17 -1.165 -0.831 1.781 1.00 92.75 O +ATOM 105 CB PRO A 17 -3.242 -0.543 4.316 1.00 92.45 C +ATOM 106 CG PRO A 17 -3.668 -1.893 3.862 1.00 90.97 C +ATOM 107 CD PRO A 17 -4.462 -1.649 2.611 1.00 92.72 C +HETATM 108 N HYP A 18 -0.637 0.888 3.178 1.00 92.69 N +HETATM 109 CA HYP A 18 0.749 0.712 2.918 1.00 91.16 C +HETATM 110 C HYP A 18 1.216 -0.652 3.312 1.00 93.67 C +HETATM 111 O HYP A 18 0.681 -1.255 4.266 1.00 93.76 O +HETATM 112 CB HYP A 18 1.389 1.790 3.832 1.00 89.01 C +HETATM 113 CG HYP A 18 0.326 2.843 3.963 1.00 87.55 C +HETATM 114 CD HYP A 18 -0.938 2.015 4.027 1.00 91.63 C +HETATM 115 OD1 HYP A 18 0.302 3.670 2.804 1.00 89.03 O +ATOM 116 N GLY A 19 2.137 -1.191 2.559 1.00 92.94 N +ATOM 117 CA GLY A 19 2.695 -2.477 2.876 1.00 92.77 C +ATOM 118 C GLY A 19 3.461 -2.420 4.179 1.00 93.44 C +ATOM 119 O GLY A 19 3.757 -1.341 4.694 1.00 93.82 O +ATOM 120 N PRO A 20 3.785 -3.576 4.730 1.00 89.30 N +ATOM 121 CA PRO A 20 4.530 -3.611 5.975 1.00 89.97 C +ATOM 122 C PRO A 20 5.963 -3.149 5.767 1.00 89.94 C +ATOM 123 O PRO A 20 6.472 -3.152 4.652 1.00 89.52 O +ATOM 124 CB PRO A 20 4.463 -5.078 6.379 1.00 88.35 C +ATOM 125 CG PRO A 20 4.366 -5.791 5.076 1.00 86.89 C +ATOM 126 CD PRO A 20 3.491 -4.906 4.225 1.00 88.70 C +HETATM 127 N HYP A 21 6.567 -2.733 6.866 1.00 91.96 N +HETATM 128 CA HYP A 21 7.964 -2.387 6.782 1.00 91.19 C +HETATM 129 C HYP A 21 8.821 -3.522 6.275 1.00 92.25 C +HETATM 130 O HYP A 21 8.515 -4.675 6.561 1.00 92.29 O +HETATM 131 CB HYP A 21 8.316 -2.026 8.237 1.00 89.13 C +HETATM 132 CG HYP A 21 7.023 -1.612 8.868 1.00 86.94 C +HETATM 133 CD HYP A 21 6.017 -2.537 8.208 1.00 90.82 C +HETATM 134 OD1 HYP A 21 6.707 -0.267 8.511 1.00 87.29 O +ATOM 135 N GLY A 22 9.796 -3.220 5.485 1.00 92.94 N +ATOM 136 CA GLY A 22 10.719 -4.216 5.031 1.00 91.55 C +ATOM 137 C GLY A 22 11.582 -4.684 6.193 1.00 91.74 C +ATOM 138 O GLY A 22 11.493 -4.150 7.298 1.00 91.48 O +ATOM 139 N PRO A 23 12.433 -5.670 5.981 1.00 92.90 N +ATOM 140 CA PRO A 23 13.296 -6.177 7.040 1.00 92.75 C +ATOM 141 C PRO A 23 14.413 -5.191 7.337 1.00 91.80 C +ATOM 142 O PRO A 23 15.445 -5.194 6.681 1.00 88.83 O +ATOM 143 CB PRO A 23 13.811 -7.491 6.469 1.00 90.56 C +ATOM 144 CG PRO A 23 13.809 -7.267 5.003 1.00 88.69 C +ATOM 145 CD PRO A 23 12.614 -6.377 4.729 1.00 90.94 C +HETATM 146 N HYP A 24 14.212 -4.274 8.176 1.00 94.67 N +HETATM 147 CA HYP A 24 14.863 -2.915 8.300 1.00 89.73 C +HETATM 148 C HYP A 24 14.291 -1.828 7.586 1.00 92.85 C +HETATM 149 O HYP A 24 15.103 -0.896 7.063 1.00 92.25 O +HETATM 150 CB HYP A 24 14.690 -2.602 9.842 1.00 88.11 C +HETATM 151 CG HYP A 24 14.499 -3.943 10.531 1.00 87.82 C +HETATM 152 CD HYP A 24 14.058 -4.902 9.422 1.00 91.31 C +HETATM 153 OD1 HYP A 24 15.723 -4.387 11.050 1.00 89.27 O +HETATM 154 OXT HYP A 24 13.068 -1.224 7.928 1.00 87.45 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_5.txt b/protein_pdb_5.txt new file mode 100644 index 0000000000000000000000000000000000000000..e542311ad1b6b803522e4b2ff6c954e80622e3c6 --- /dev/null +++ b/protein_pdb_5.txt @@ -0,0 +1,222 @@ +ATOM 1 N GLY A 1 -9.582 42.021 30.492 1.00 75.13 N +ATOM 2 CA GLY A 1 -8.754 40.841 30.733 1.00 77.84 C +ATOM 3 C GLY A 1 -7.800 40.584 29.587 1.00 77.74 C +ATOM 4 O GLY A 1 -7.897 41.229 28.542 1.00 73.32 O +ATOM 5 N PRO A 2 -6.860 39.648 29.744 1.00 72.80 N +ATOM 6 CA PRO A 2 -5.894 39.342 28.691 1.00 77.99 C +ATOM 7 C PRO A 2 -6.555 38.623 27.523 1.00 77.90 C +ATOM 8 O PRO A 2 -7.652 38.079 27.647 1.00 76.16 O +ATOM 9 CB PRO A 2 -4.871 38.449 29.389 1.00 73.19 C +ATOM 10 CG PRO A 2 -5.654 37.786 30.461 1.00 66.94 C +ATOM 11 CD PRO A 2 -6.657 38.814 30.918 1.00 65.69 C +HETATM 12 N HYP A 3 -5.930 38.631 26.464 1.00 77.18 N +HETATM 13 CA HYP A 3 -6.339 37.899 25.249 1.00 75.56 C +HETATM 14 C HYP A 3 -6.495 36.394 25.514 1.00 79.78 C +HETATM 15 O HYP A 3 -5.781 35.850 26.368 1.00 79.42 O +HETATM 16 CB HYP A 3 -5.212 38.124 24.243 1.00 77.03 C +HETATM 17 CG HYP A 3 -4.545 39.393 24.730 1.00 72.00 C +HETATM 18 CD HYP A 3 -4.683 39.280 26.273 1.00 78.04 C +HETATM 19 OD1 HYP A 3 -5.285 40.518 24.297 1.00 79.71 O +ATOM 20 N GLY A 4 -7.419 35.793 24.824 1.00 85.04 N +ATOM 21 CA GLY A 4 -7.617 34.377 24.989 1.00 83.48 C +ATOM 22 C GLY A 4 -6.452 33.581 24.424 1.00 83.80 C +ATOM 23 O GLY A 4 -5.618 34.113 23.684 1.00 81.34 O +ATOM 24 N PRO A 5 -6.374 32.283 24.768 1.00 76.20 N +ATOM 25 CA PRO A 5 -5.286 31.435 24.265 1.00 77.98 C +ATOM 26 C PRO A 5 -5.462 31.127 22.790 1.00 76.72 C +ATOM 27 O PRO A 5 -6.547 31.273 22.238 1.00 76.08 O +ATOM 28 CB PRO A 5 -5.397 30.175 25.125 1.00 74.03 C +ATOM 29 CG PRO A 5 -6.846 30.112 25.455 1.00 70.13 C +ATOM 30 CD PRO A 5 -7.292 31.548 25.614 1.00 72.50 C +HETATM 31 N HYP A 6 -4.408 30.726 22.187 1.00 83.07 N +HETATM 32 CA HYP A 6 -4.472 30.245 20.782 1.00 82.95 C +HETATM 33 C HYP A 6 -5.443 29.090 20.643 1.00 81.36 C +HETATM 34 O HYP A 6 -5.624 28.329 21.585 1.00 85.07 O +HETATM 35 CB HYP A 6 -3.039 29.814 20.482 1.00 81.00 C +HETATM 36 CG HYP A 6 -2.183 30.656 21.434 1.00 77.27 C +HETATM 37 CD HYP A 6 -3.050 30.704 22.686 1.00 81.47 C +HETATM 38 OD1 HYP A 6 -1.996 31.958 20.927 1.00 84.32 O +ATOM 39 N GLY A 7 -6.058 28.971 19.482 1.00 87.40 N +ATOM 40 CA GLY A 7 -6.995 27.905 19.231 1.00 86.19 C +ATOM 41 C GLY A 7 -6.314 26.546 19.221 1.00 87.00 C +ATOM 42 O GLY A 7 -5.084 26.452 19.190 1.00 85.65 O +ATOM 43 N PRO A 8 -7.106 25.479 19.241 1.00 82.82 N +ATOM 44 CA PRO A 8 -6.540 24.130 19.237 1.00 83.39 C +ATOM 45 C PRO A 8 -5.913 23.793 17.890 1.00 83.32 C +ATOM 46 O PRO A 8 -6.199 24.436 16.881 1.00 82.25 O +ATOM 47 CB PRO A 8 -7.744 23.237 19.543 1.00 80.42 C +ATOM 48 CG PRO A 8 -8.899 24.013 19.023 1.00 79.00 C +ATOM 49 CD PRO A 8 -8.562 25.466 19.275 1.00 81.23 C +HETATM 50 N HYP A 9 -5.080 22.794 17.901 1.00 83.09 N +HETATM 51 CA HYP A 9 -4.483 22.311 16.643 1.00 81.08 C +HETATM 52 C HYP A 9 -5.545 21.850 15.696 1.00 79.67 C +HETATM 53 O HYP A 9 -6.591 21.389 16.089 1.00 84.29 O +HETATM 54 CB HYP A 9 -3.630 21.116 17.148 1.00 78.23 C +HETATM 55 CG HYP A 9 -3.307 21.394 18.573 1.00 75.40 C +HETATM 56 CD HYP A 9 -4.579 22.064 19.045 1.00 81.31 C +HETATM 57 OD1 HYP A 9 -2.222 22.302 18.693 1.00 81.33 O +ATOM 58 N GLY A 10 -5.292 22.008 14.375 1.00 87.50 N +ATOM 59 CA GLY A 10 -6.206 21.545 13.365 1.00 85.95 C +ATOM 60 C GLY A 10 -6.285 20.029 13.333 1.00 87.03 C +ATOM 61 O GLY A 10 -5.499 19.335 13.985 1.00 86.00 O +ATOM 62 N PRO A 11 -7.226 19.500 12.563 1.00 84.20 N +ATOM 63 CA PRO A 11 -7.368 18.043 12.476 1.00 84.49 C +ATOM 64 C PRO A 11 -6.185 17.426 11.748 1.00 84.81 C +ATOM 65 O PRO A 11 -5.486 18.085 10.984 1.00 83.90 O +ATOM 66 CB PRO A 11 -8.671 17.848 11.707 1.00 81.61 C +ATOM 67 CG PRO A 11 -8.794 19.083 10.897 1.00 81.10 C +ATOM 68 CD PRO A 11 -8.209 20.193 11.740 1.00 82.61 C +HETATM 69 N HYP A 12 -5.962 16.167 11.980 1.00 86.28 N +HETATM 70 CA HYP A 12 -4.917 15.432 11.263 1.00 88.46 C +HETATM 71 C HYP A 12 -5.147 15.467 9.830 1.00 81.65 C +HETATM 72 O HYP A 12 -6.274 15.508 9.384 1.00 81.67 O +HETATM 73 CB HYP A 12 -5.025 14.014 11.845 1.00 82.89 C +HETATM 74 CG HYP A 12 -5.636 14.150 13.188 1.00 75.12 C +HETATM 75 CD HYP A 12 -6.563 15.310 12.961 1.00 82.29 C +HETATM 76 OD1 HYP A 12 -4.669 14.489 14.180 1.00 84.16 O +ATOM 77 N GLY A 13 -4.076 15.413 9.012 1.00 89.60 N +ATOM 78 CA GLY A 13 -4.185 15.359 7.573 1.00 88.48 C +ATOM 79 C GLY A 13 -4.839 14.062 7.115 1.00 89.13 C +ATOM 80 O GLY A 13 -4.949 13.105 7.878 1.00 88.20 O +ATOM 81 N PRO A 14 -5.252 14.014 5.843 1.00 84.86 N +ATOM 82 CA PRO A 14 -5.882 12.802 5.339 1.00 84.44 C +ATOM 83 C PRO A 14 -4.882 11.657 5.220 1.00 83.70 C +ATOM 84 O PRO A 14 -3.682 11.864 5.024 1.00 79.28 O +ATOM 85 CB PRO A 14 -6.425 13.209 3.971 1.00 80.47 C +ATOM 86 CG PRO A 14 -5.530 14.321 3.556 1.00 81.05 C +ATOM 87 CD PRO A 14 -5.171 15.056 4.829 1.00 83.57 C +ATOM 88 N VAL A 15 -5.385 10.421 5.326 1.00 83.80 N +ATOM 89 CA VAL A 15 -4.534 9.241 5.204 1.00 82.84 C +ATOM 90 C VAL A 15 -4.032 9.131 3.765 1.00 81.52 C +ATOM 91 O VAL A 15 -4.726 9.521 2.813 1.00 79.05 O +ATOM 92 CB VAL A 15 -5.310 7.973 5.622 1.00 79.25 C +ATOM 93 CG1 VAL A 15 -6.440 7.692 4.648 1.00 71.94 C +ATOM 94 CG2 VAL A 15 -4.374 6.784 5.727 1.00 73.88 C +ATOM 95 N GLY A 16 -2.823 8.647 3.601 1.00 84.80 N +ATOM 96 CA GLY A 16 -2.270 8.474 2.279 1.00 82.22 C +ATOM 97 C GLY A 16 -2.997 7.413 1.479 1.00 82.56 C +ATOM 98 O GLY A 16 -3.678 6.543 2.028 1.00 81.63 O +ATOM 99 N ALA A 17 -2.846 7.481 0.172 1.00 79.93 N +ATOM 100 CA ALA A 17 -3.481 6.506 -0.712 1.00 82.39 C +ATOM 101 C ALA A 17 -2.825 5.146 -0.554 1.00 82.52 C +ATOM 102 O ALA A 17 -1.642 5.030 -0.220 1.00 79.07 O +ATOM 103 CB ALA A 17 -3.386 6.974 -2.159 1.00 77.85 C +ATOM 104 N ALA A 18 -3.599 4.094 -0.809 1.00 77.01 N +ATOM 105 CA ALA A 18 -3.073 2.740 -0.747 1.00 79.90 C +ATOM 106 C ALA A 18 -1.996 2.547 -1.808 1.00 80.38 C +ATOM 107 O ALA A 18 -2.033 3.150 -2.883 1.00 72.99 O +ATOM 108 CB ALA A 18 -4.194 1.719 -0.943 1.00 74.05 C +ATOM 109 N GLY A 19 -1.014 1.703 -1.489 1.00 78.26 N +ATOM 110 CA GLY A 19 0.056 1.435 -2.430 1.00 77.02 C +ATOM 111 C GLY A 19 -0.450 0.755 -3.693 1.00 76.98 C +ATOM 112 O GLY A 19 -1.486 0.082 -3.696 1.00 76.04 O +ATOM 113 N ALA A 20 0.299 0.947 -4.764 1.00 75.98 N +ATOM 114 CA ALA A 20 -0.057 0.337 -6.036 1.00 78.56 C +ATOM 115 C ALA A 20 0.205 -1.167 -5.992 1.00 78.48 C +ATOM 116 O ALA A 20 1.063 -1.649 -5.253 1.00 73.59 O +ATOM 117 CB ALA A 20 0.740 0.973 -7.165 1.00 72.69 C +ATOM 118 N THR A 21 -0.549 -1.919 -6.812 1.00 76.49 N +ATOM 119 CA THR A 21 -0.351 -3.360 -6.924 1.00 78.55 C +ATOM 120 C THR A 21 1.056 -3.647 -7.446 1.00 78.01 C +ATOM 121 O THR A 21 1.551 -2.946 -8.321 1.00 74.56 O +ATOM 122 CB THR A 21 -1.391 -3.965 -7.866 1.00 75.03 C +ATOM 123 OG1 THR A 21 -2.704 -3.630 -7.405 1.00 69.44 O +ATOM 124 CG2 THR A 21 -1.264 -5.487 -7.931 1.00 65.57 C +ATOM 125 N GLY A 22 1.685 -4.668 -6.891 1.00 82.57 N +ATOM 126 CA GLY A 22 3.018 -5.044 -7.326 1.00 80.83 C +ATOM 127 C GLY A 22 3.026 -5.590 -8.744 1.00 83.22 C +ATOM 128 O GLY A 22 1.976 -5.886 -9.321 1.00 82.90 O +ATOM 129 N PRO A 23 4.224 -5.745 -9.346 1.00 78.72 N +ATOM 130 CA PRO A 23 4.331 -6.269 -10.701 1.00 79.58 C +ATOM 131 C PRO A 23 3.996 -7.754 -10.745 1.00 79.11 C +ATOM 132 O PRO A 23 4.017 -8.434 -9.727 1.00 78.93 O +ATOM 133 CB PRO A 23 5.790 -6.010 -11.070 1.00 76.43 C +ATOM 134 CG PRO A 23 6.498 -6.040 -9.762 1.00 74.82 C +ATOM 135 CD PRO A 23 5.547 -5.431 -8.771 1.00 75.84 C +HETATM 136 N HYP A 24 3.715 -8.258 -11.936 1.00 79.87 N +HETATM 137 CA HYP A 24 3.462 -9.650 -12.141 1.00 79.39 C +HETATM 138 C HYP A 24 4.657 -10.511 -11.745 1.00 78.87 C +HETATM 139 O HYP A 24 5.803 -10.029 -11.851 1.00 82.87 O +HETATM 140 CB HYP A 24 3.187 -9.747 -13.630 1.00 76.13 C +HETATM 141 CG HYP A 24 2.663 -8.365 -13.990 1.00 71.97 C +HETATM 142 CD HYP A 24 3.484 -7.488 -13.115 1.00 82.01 C +HETATM 143 OD1 HYP A 24 1.313 -8.239 -13.681 1.00 81.10 O +ATOM 144 N GLY A 25 4.422 -11.673 -11.240 1.00 85.22 N +ATOM 145 CA GLY A 25 5.498 -12.569 -10.895 1.00 83.16 C +ATOM 146 C GLY A 25 6.243 -13.038 -12.129 1.00 84.41 C +ATOM 147 O GLY A 25 5.811 -12.808 -13.262 1.00 84.54 O +ATOM 148 N PRO A 26 7.378 -13.714 -11.929 1.00 78.24 N +ATOM 149 CA PRO A 26 8.149 -14.207 -13.057 1.00 78.48 C +ATOM 150 C PRO A 26 7.440 -15.356 -13.758 1.00 78.42 C +ATOM 151 O PRO A 26 6.578 -16.011 -13.179 1.00 78.74 O +ATOM 152 CB PRO A 26 9.467 -14.660 -12.418 1.00 76.59 C +ATOM 153 CG PRO A 26 9.084 -15.012 -11.031 1.00 76.20 C +ATOM 154 CD PRO A 26 8.002 -14.041 -10.642 1.00 76.36 C +HETATM 155 N HYP A 27 7.836 -15.618 -14.993 1.00 85.58 N +HETATM 156 CA HYP A 27 7.275 -16.734 -15.738 1.00 85.08 C +HETATM 157 C HYP A 27 7.575 -18.065 -15.054 1.00 81.38 C +HETATM 158 O HYP A 27 8.639 -18.206 -14.447 1.00 86.70 O +HETATM 159 CB HYP A 27 7.968 -16.646 -17.110 1.00 74.81 C +HETATM 160 CG HYP A 27 8.398 -15.191 -17.234 1.00 73.39 C +HETATM 161 CD HYP A 27 8.717 -14.821 -15.823 1.00 84.20 C +HETATM 162 OD1 HYP A 27 7.342 -14.393 -17.681 1.00 81.73 O +ATOM 163 N GLY A 28 6.634 -18.993 -15.147 1.00 78.01 N +ATOM 164 CA GLY A 28 6.831 -20.302 -14.585 1.00 76.05 C +ATOM 165 C GLY A 28 7.935 -21.056 -15.308 1.00 76.90 C +ATOM 166 O GLY A 28 8.391 -20.640 -16.374 1.00 75.59 O +ATOM 167 N PRO A 29 8.370 -22.183 -14.744 1.00 73.52 N +ATOM 168 CA PRO A 29 9.430 -22.969 -15.366 1.00 74.98 C +ATOM 169 C PRO A 29 8.929 -23.670 -16.618 1.00 74.60 C +ATOM 170 O PRO A 29 7.734 -23.869 -16.797 1.00 73.80 O +ATOM 171 CB PRO A 29 9.822 -23.961 -14.273 1.00 72.21 C +ATOM 172 CG PRO A 29 8.579 -24.124 -13.482 1.00 70.31 C +ATOM 173 CD PRO A 29 7.918 -22.761 -13.485 1.00 71.16 C +HETATM 174 N HYP A 30 9.853 -24.044 -17.476 1.00 82.55 N +HETATM 175 CA HYP A 30 9.504 -24.822 -18.675 1.00 83.59 C +HETATM 176 C HYP A 30 8.855 -26.155 -18.279 1.00 82.08 C +HETATM 177 O HYP A 30 9.142 -26.703 -17.247 1.00 86.78 O +HETATM 178 CB HYP A 30 10.860 -25.016 -19.363 1.00 82.78 C +HETATM 179 CG HYP A 30 11.725 -23.858 -18.895 1.00 80.34 C +HETATM 180 CD HYP A 30 11.238 -23.639 -17.472 1.00 85.11 C +HETATM 181 OD1 HYP A 30 11.436 -22.687 -19.631 1.00 83.53 O +ATOM 182 N GLY A 31 7.974 -26.677 -19.128 1.00 83.93 N +ATOM 183 CA GLY A 31 7.364 -27.959 -18.902 1.00 81.79 C +ATOM 184 C GLY A 31 8.384 -29.081 -18.993 1.00 82.60 C +ATOM 185 O GLY A 31 9.524 -28.874 -19.423 1.00 81.08 O +ATOM 186 N PRO A 32 7.982 -30.301 -18.614 1.00 78.31 N +ATOM 187 CA PRO A 32 8.907 -31.429 -18.668 1.00 78.95 C +ATOM 188 C PRO A 32 9.200 -31.826 -20.106 1.00 78.52 C +ATOM 189 O PRO A 32 8.443 -31.515 -21.020 1.00 76.50 O +ATOM 190 CB PRO A 32 8.163 -32.527 -17.910 1.00 75.51 C +ATOM 191 CG PRO A 32 6.731 -32.176 -18.084 1.00 72.83 C +ATOM 192 CD PRO A 32 6.674 -30.669 -18.090 1.00 73.64 C +HETATM 193 N HYP A 33 10.288 -32.545 -20.296 1.00 83.76 N +HETATM 194 CA HYP A 33 10.652 -33.011 -21.624 1.00 82.56 C +HETATM 195 C HYP A 33 9.622 -34.000 -22.177 1.00 84.19 C +HETATM 196 O HYP A 33 9.020 -34.724 -21.440 1.00 83.87 O +HETATM 197 CB HYP A 33 11.981 -33.754 -21.404 1.00 84.70 C +HETATM 198 CG HYP A 33 12.568 -33.146 -20.136 1.00 81.73 C +HETATM 199 CD HYP A 33 11.328 -32.810 -19.340 1.00 84.74 C +HETATM 200 OD1 HYP A 33 13.251 -31.924 -20.435 1.00 81.25 O +ATOM 201 N GLY A 34 9.402 -33.940 -23.470 1.00 81.32 N +ATOM 202 CA GLY A 34 8.538 -34.896 -24.114 1.00 79.68 C +ATOM 203 C GLY A 34 9.196 -36.261 -24.170 1.00 79.54 C +ATOM 204 O GLY A 34 10.359 -36.419 -23.801 1.00 76.47 O +ATOM 205 N PRO A 35 8.455 -37.273 -24.655 1.00 81.22 N +ATOM 206 CA PRO A 35 9.033 -38.608 -24.748 1.00 82.35 C +ATOM 207 C PRO A 35 10.122 -38.647 -25.812 1.00 81.72 C +ATOM 208 O PRO A 35 10.107 -37.862 -26.753 1.00 77.38 O +ATOM 209 CB PRO A 35 7.846 -39.490 -25.109 1.00 77.79 C +ATOM 210 CG PRO A 35 6.916 -38.569 -25.806 1.00 73.96 C +ATOM 211 CD PRO A 35 7.091 -37.230 -25.139 1.00 74.34 C +HETATM 212 N HYP A 36 11.018 -39.593 -25.758 1.00 76.45 N +HETATM 213 CA HYP A 36 12.084 -39.590 -26.734 1.00 77.63 C +HETATM 214 C HYP A 36 11.628 -39.622 -28.138 1.00 70.17 C +HETATM 215 O HYP A 36 10.606 -40.293 -28.372 1.00 73.34 O +HETATM 216 CB HYP A 36 12.974 -40.784 -26.366 1.00 74.34 C +HETATM 217 CG HYP A 36 12.630 -41.091 -24.948 1.00 69.73 C +HETATM 218 CD HYP A 36 11.183 -40.621 -24.799 1.00 75.87 C +HETATM 219 OD1 HYP A 36 13.445 -40.318 -24.096 1.00 69.81 O +HETATM 220 OXT HYP A 36 12.307 -38.979 -28.989 1.00 63.46 O +TER 221 HYP A 36 +END diff --git a/protein_pdb_50.txt b/protein_pdb_50.txt new file mode 100644 index 0000000000000000000000000000000000000000..3b58f9e8eb8717042c14b7984ef0340d7e52eba0 --- /dev/null +++ b/protein_pdb_50.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 30.970 -11.816 12.502 1.00 90.10 N +ATOM 2 CA GLY A 1 30.006 -12.547 11.682 1.00 91.22 C +ATOM 3 C GLY A 1 29.525 -11.701 10.520 1.00 92.04 C +ATOM 4 O GLY A 1 29.848 -10.516 10.427 1.00 89.58 O +ATOM 5 N PRO A 2 28.750 -12.276 9.625 1.00 91.62 N +ATOM 6 CA PRO A 2 28.231 -11.526 8.484 1.00 92.98 C +ATOM 7 C PRO A 2 27.194 -10.504 8.920 1.00 93.20 C +ATOM 8 O PRO A 2 26.607 -10.612 9.994 1.00 91.11 O +ATOM 9 CB PRO A 2 27.604 -12.606 7.591 1.00 90.39 C +ATOM 10 CG PRO A 2 27.207 -13.671 8.556 1.00 87.30 C +ATOM 11 CD PRO A 2 28.272 -13.657 9.625 1.00 88.98 C +HETATM 12 N HYP A 3 27.009 -9.508 8.110 1.00 94.47 N +HETATM 13 CA HYP A 3 25.946 -8.522 8.337 1.00 94.36 C +HETATM 14 C HYP A 3 24.607 -9.211 8.490 1.00 94.68 C +HETATM 15 O HYP A 3 24.344 -10.235 7.844 1.00 91.69 O +HETATM 16 CB HYP A 3 25.977 -7.679 7.065 1.00 93.03 C +HETATM 17 CG HYP A 3 27.377 -7.822 6.525 1.00 92.34 C +HETATM 18 CD HYP A 3 27.734 -9.283 6.859 1.00 93.91 C +HETATM 19 OD1 HYP A 3 28.259 -6.972 7.183 1.00 92.48 O +ATOM 20 N GLY A 4 23.773 -8.635 9.341 1.00 95.02 N +ATOM 21 CA GLY A 4 22.440 -9.165 9.507 1.00 94.17 C +ATOM 22 C GLY A 4 21.617 -8.970 8.246 1.00 94.24 C +ATOM 23 O GLY A 4 22.014 -8.239 7.333 1.00 93.47 O +ATOM 24 N PRO A 5 20.466 -9.615 8.182 1.00 94.74 N +ATOM 25 CA PRO A 5 19.612 -9.477 7.001 1.00 94.49 C +ATOM 26 C PRO A 5 18.971 -8.097 6.942 1.00 94.50 C +ATOM 27 O PRO A 5 18.886 -7.396 7.942 1.00 93.68 O +ATOM 28 CB PRO A 5 18.569 -10.575 7.187 1.00 92.92 C +ATOM 29 CG PRO A 5 18.475 -10.716 8.671 1.00 91.05 C +ATOM 30 CD PRO A 5 19.876 -10.492 9.183 1.00 92.51 C +HETATM 31 N HYP A 6 18.538 -7.699 5.770 1.00 95.28 N +HETATM 32 CA HYP A 6 17.747 -6.476 5.630 1.00 95.16 C +HETATM 33 C HYP A 6 16.520 -6.492 6.472 1.00 93.75 C +HETATM 34 O HYP A 6 15.945 -7.568 6.729 1.00 93.63 O +HETATM 35 CB HYP A 6 17.402 -6.439 4.130 1.00 93.30 C +HETATM 36 CG HYP A 6 18.506 -7.234 3.477 1.00 91.58 C +HETATM 37 CD HYP A 6 18.787 -8.315 4.507 1.00 94.15 C +HETATM 38 OD1 HYP A 6 19.638 -6.430 3.288 1.00 91.80 O +ATOM 39 N GLY A 7 16.102 -5.341 6.928 1.00 95.52 N +ATOM 40 CA GLY A 7 14.893 -5.246 7.711 1.00 94.86 C +ATOM 41 C GLY A 7 13.681 -5.652 6.900 1.00 95.13 C +ATOM 42 O GLY A 7 13.750 -5.822 5.683 1.00 94.61 O +ATOM 43 N PRO A 8 12.547 -5.808 7.576 1.00 95.04 N +ATOM 44 CA PRO A 8 11.326 -6.189 6.873 1.00 94.87 C +ATOM 45 C PRO A 8 10.807 -5.053 6.000 1.00 94.83 C +ATOM 46 O PRO A 8 11.131 -3.895 6.214 1.00 93.87 O +ATOM 47 CB PRO A 8 10.352 -6.512 8.005 1.00 93.78 C +ATOM 48 CG PRO A 8 10.830 -5.663 9.131 1.00 93.04 C +ATOM 49 CD PRO A 8 12.330 -5.633 9.008 1.00 94.27 C +HETATM 50 N HYP A 9 10.005 -5.350 5.027 1.00 95.17 N +HETATM 51 CA HYP A 9 9.335 -4.367 4.205 1.00 94.69 C +HETATM 52 C HYP A 9 8.449 -3.481 5.007 1.00 95.65 C +HETATM 53 O HYP A 9 7.903 -3.903 6.022 1.00 94.36 O +HETATM 54 CB HYP A 9 8.496 -5.243 3.242 1.00 93.41 C +HETATM 55 CG HYP A 9 9.310 -6.489 3.129 1.00 91.67 C +HETATM 56 CD HYP A 9 9.822 -6.649 4.523 1.00 94.22 C +HETATM 57 OD1 HYP A 9 10.396 -6.294 2.247 1.00 90.58 O +ATOM 58 N GLY A 10 8.355 -2.232 4.592 1.00 95.87 N +ATOM 59 CA GLY A 10 7.501 -1.293 5.276 1.00 94.90 C +ATOM 60 C GLY A 10 6.054 -1.709 5.229 1.00 95.20 C +ATOM 61 O GLY A 10 5.657 -2.608 4.474 1.00 94.48 O +ATOM 62 N ALA A 11 5.256 -1.046 6.041 1.00 95.02 N +ATOM 63 CA ALA A 11 3.828 -1.319 6.087 1.00 94.77 C +ATOM 64 C ALA A 11 3.176 -0.971 4.757 1.00 94.89 C +ATOM 65 O ALA A 11 3.637 -0.100 4.029 1.00 93.32 O +ATOM 66 CB ALA A 11 3.185 -0.515 7.201 1.00 93.12 C +HETATM 67 N HYP A 12 2.095 -1.626 4.396 1.00 95.38 N +HETATM 68 CA HYP A 12 1.307 -1.291 3.238 1.00 95.55 C +HETATM 69 C HYP A 12 0.839 0.116 3.259 1.00 95.85 C +HETATM 70 O HYP A 12 0.603 0.680 4.333 1.00 93.89 O +HETATM 71 CB HYP A 12 0.160 -2.270 3.246 1.00 93.84 C +HETATM 72 CG HYP A 12 0.685 -3.423 4.008 1.00 92.30 C +HETATM 73 CD HYP A 12 1.556 -2.783 5.002 1.00 94.45 C +HETATM 74 OD1 HYP A 12 1.467 -4.261 3.191 1.00 91.35 O +ATOM 75 N GLY A 13 0.719 0.707 2.095 1.00 95.63 N +ATOM 76 CA GLY A 13 0.206 2.050 1.984 1.00 94.86 C +ATOM 77 C GLY A 13 -1.261 2.115 2.385 1.00 95.33 C +ATOM 78 O GLY A 13 -1.903 1.085 2.628 1.00 94.87 O +ATOM 79 N PRO A 14 -1.811 3.325 2.447 1.00 94.82 N +ATOM 80 CA PRO A 14 -3.215 3.475 2.807 1.00 94.55 C +ATOM 81 C PRO A 14 -4.128 2.963 1.702 1.00 94.54 C +ATOM 82 O PRO A 14 -3.719 2.838 0.554 1.00 93.21 O +ATOM 83 CB PRO A 14 -3.370 4.983 3.004 1.00 93.51 C +ATOM 84 CG PRO A 14 -2.321 5.566 2.122 1.00 92.71 C +ATOM 85 CD PRO A 14 -1.164 4.609 2.176 1.00 93.89 C +HETATM 86 N HYP A 15 -5.376 2.676 2.021 1.00 93.57 N +HETATM 87 CA HYP A 15 -6.358 2.287 1.034 1.00 93.58 C +HETATM 88 C HYP A 15 -6.527 3.318 -0.040 1.00 94.57 C +HETATM 89 O HYP A 15 -6.393 4.538 0.224 1.00 90.60 O +HETATM 90 CB HYP A 15 -7.640 2.158 1.838 1.00 92.71 C +HETATM 91 CG HYP A 15 -7.162 1.886 3.228 1.00 92.37 C +HETATM 92 CD HYP A 15 -5.900 2.687 3.330 1.00 94.24 C +HETATM 93 OD1 HYP A 15 -6.828 0.530 3.407 1.00 91.63 O +ATOM 94 N GLY A 16 -6.797 2.888 -1.239 1.00 93.01 N +ATOM 95 CA GLY A 16 -7.084 3.807 -2.314 1.00 91.16 C +ATOM 96 C GLY A 16 -8.383 4.549 -2.055 1.00 91.92 C +ATOM 97 O GLY A 16 -9.155 4.206 -1.154 1.00 91.84 O +ATOM 98 N PRO A 17 -8.647 5.572 -2.864 1.00 92.50 N +ATOM 99 CA PRO A 17 -9.875 6.335 -2.689 1.00 92.58 C +ATOM 100 C PRO A 17 -11.092 5.523 -3.115 1.00 92.03 C +ATOM 101 O PRO A 17 -10.977 4.562 -3.863 1.00 90.72 O +ATOM 102 CB PRO A 17 -9.666 7.549 -3.599 1.00 90.96 C +ATOM 103 CG PRO A 17 -8.756 7.049 -4.656 1.00 89.55 C +ATOM 104 CD PRO A 17 -7.826 6.079 -3.969 1.00 91.57 C +HETATM 105 N HYP A 18 -12.264 5.882 -2.651 1.00 93.26 N +HETATM 106 CA HYP A 18 -13.493 5.296 -3.095 1.00 94.19 C +HETATM 107 C HYP A 18 -13.676 5.396 -4.579 1.00 93.96 C +HETATM 108 O HYP A 18 -13.211 6.384 -5.201 1.00 92.22 O +HETATM 109 CB HYP A 18 -14.558 6.039 -2.361 1.00 93.33 C +HETATM 110 CG HYP A 18 -13.873 6.545 -1.121 1.00 92.94 C +HETATM 111 CD HYP A 18 -12.465 6.833 -1.611 1.00 93.92 C +HETATM 112 OD1 HYP A 18 -13.810 5.539 -0.131 1.00 91.55 O +ATOM 113 N GLY A 19 -14.280 4.403 -5.181 1.00 93.31 N +ATOM 114 CA GLY A 19 -14.558 4.448 -6.591 1.00 92.57 C +ATOM 115 C GLY A 19 -15.547 5.561 -6.914 1.00 92.83 C +ATOM 116 O GLY A 19 -16.165 6.141 -6.018 1.00 92.29 O +ATOM 117 N PRO A 20 -15.718 5.850 -8.190 1.00 92.81 N +ATOM 118 CA PRO A 20 -16.640 6.908 -8.581 1.00 92.38 C +ATOM 119 C PRO A 20 -18.084 6.475 -8.373 1.00 91.93 C +ATOM 120 O PRO A 20 -18.385 5.288 -8.316 1.00 89.77 O +ATOM 121 CB PRO A 20 -16.322 7.116 -10.065 1.00 90.04 C +ATOM 122 CG PRO A 20 -15.823 5.787 -10.510 1.00 87.91 C +ATOM 123 CD PRO A 20 -15.053 5.232 -9.341 1.00 90.82 C +HETATM 124 N HYP A 21 -18.999 7.406 -8.280 1.00 94.28 N +HETATM 125 CA HYP A 21 -20.401 7.126 -8.182 1.00 94.25 C +HETATM 126 C HYP A 21 -20.910 6.373 -9.401 1.00 94.99 C +HETATM 127 O HYP A 21 -20.382 6.560 -10.512 1.00 92.74 O +HETATM 128 CB HYP A 21 -21.053 8.515 -8.171 1.00 92.88 C +HETATM 129 CG HYP A 21 -19.991 9.435 -7.607 1.00 92.70 C +HETATM 130 CD HYP A 21 -18.717 8.844 -8.173 1.00 93.69 C +HETATM 131 OD1 HYP A 21 -19.933 9.327 -6.184 1.00 90.64 O +ATOM 132 N GLY A 22 -21.872 5.508 -9.216 1.00 90.54 N +ATOM 133 CA GLY A 22 -22.461 4.808 -10.329 1.00 89.36 C +ATOM 134 C GLY A 22 -23.152 5.782 -11.276 1.00 89.64 C +ATOM 135 O GLY A 22 -23.329 6.960 -10.963 1.00 88.27 O +ATOM 136 N PRO A 23 -23.580 5.297 -12.434 1.00 89.14 N +ATOM 137 CA PRO A 23 -24.237 6.167 -13.400 1.00 89.36 C +ATOM 138 C PRO A 23 -25.625 6.557 -12.926 1.00 88.64 C +ATOM 139 O PRO A 23 -26.241 5.862 -12.122 1.00 84.93 O +ATOM 140 CB PRO A 23 -24.293 5.311 -14.667 1.00 85.23 C +ATOM 141 CG PRO A 23 -24.343 3.917 -14.147 1.00 81.33 C +ATOM 142 CD PRO A 23 -23.472 3.918 -12.916 1.00 84.58 C +HETATM 143 N HYP A 24 -26.157 7.608 -13.447 1.00 91.06 N +HETATM 144 CA HYP A 24 -27.517 7.969 -13.134 1.00 89.93 C +HETATM 145 C HYP A 24 -28.447 6.905 -13.625 1.00 89.56 C +HETATM 146 O HYP A 24 -28.195 6.398 -14.731 1.00 86.89 O +HETATM 147 CB HYP A 24 -27.776 9.296 -13.861 1.00 90.57 C +HETATM 148 CG HYP A 24 -26.423 9.874 -14.122 1.00 89.99 C +HETATM 149 CD HYP A 24 -25.514 8.642 -14.249 1.00 90.29 C +HETATM 150 OD1 HYP A 24 -26.021 10.602 -12.975 1.00 85.07 O +HETATM 151 OXT HYP A 24 -29.394 6.624 -12.881 1.00 80.13 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_500.txt b/protein_pdb_500.txt new file mode 100644 index 0000000000000000000000000000000000000000..55f716f3302a49aa37dac27c1bac5233b3c029bd --- /dev/null +++ b/protein_pdb_500.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 -2.430 12.393 8.584 1.00 83.60 N +ATOM 2 CA GLY A 1 -3.150 11.135 8.703 1.00 86.52 C +ATOM 3 C GLY A 1 -2.218 9.962 8.573 1.00 87.80 C +ATOM 4 O GLY A 1 -1.014 10.132 8.397 1.00 85.19 O +ATOM 5 N PRO A 2 -2.752 8.767 8.629 1.00 88.01 N +ATOM 6 CA PRO A 2 -1.923 7.569 8.543 1.00 89.98 C +ATOM 7 C PRO A 2 -1.410 7.342 7.138 1.00 90.24 C +ATOM 8 O PRO A 2 -1.928 7.895 6.176 1.00 88.55 O +ATOM 9 CB PRO A 2 -2.873 6.458 8.966 1.00 86.65 C +ATOM 10 CG PRO A 2 -4.208 6.956 8.547 1.00 82.37 C +ATOM 11 CD PRO A 2 -4.171 8.437 8.777 1.00 84.44 C +HETATM 12 N HYP A 3 -0.414 6.573 7.060 1.00 88.55 N +HETATM 13 CA HYP A 3 0.103 6.148 5.754 1.00 88.27 C +HETATM 14 C HYP A 3 -0.943 5.497 4.920 1.00 88.87 C +HETATM 15 O HYP A 3 -1.855 4.825 5.469 1.00 91.47 O +HETATM 16 CB HYP A 3 1.218 5.158 6.146 1.00 88.30 C +HETATM 17 CG HYP A 3 1.670 5.607 7.517 1.00 84.68 C +HETATM 18 CD HYP A 3 0.331 6.018 8.176 1.00 87.93 C +HETATM 19 OD1 HYP A 3 2.476 6.748 7.376 1.00 88.21 O +ATOM 20 N GLY A 4 -0.895 5.714 3.637 1.00 92.11 N +ATOM 21 CA GLY A 4 -1.814 5.085 2.742 1.00 91.66 C +ATOM 22 C GLY A 4 -1.600 3.584 2.693 1.00 92.32 C +ATOM 23 O GLY A 4 -0.622 3.061 3.226 1.00 92.75 O +ATOM 24 N PRO A 5 -2.513 2.890 2.060 1.00 92.51 N +ATOM 25 CA PRO A 5 -2.392 1.444 1.975 1.00 92.46 C +ATOM 26 C PRO A 5 -1.258 1.032 1.052 1.00 92.43 C +ATOM 27 O PRO A 5 -0.796 1.818 0.228 1.00 91.66 O +ATOM 28 CB PRO A 5 -3.744 1.011 1.417 1.00 90.78 C +ATOM 29 CG PRO A 5 -4.174 2.175 0.599 1.00 89.05 C +ATOM 30 CD PRO A 5 -3.691 3.384 1.351 1.00 91.61 C +HETATM 31 N HYP A 6 -0.809 -0.187 1.206 1.00 91.89 N +HETATM 32 CA HYP A 6 0.168 -0.724 0.316 1.00 94.57 C +HETATM 33 C HYP A 6 -0.301 -0.716 -1.096 1.00 93.18 C +HETATM 34 O HYP A 6 -1.530 -0.816 -1.356 1.00 92.52 O +HETATM 35 CB HYP A 6 0.345 -2.174 0.837 1.00 90.22 C +HETATM 36 CG HYP A 6 -0.051 -2.108 2.285 1.00 89.52 C +HETATM 37 CD HYP A 6 -1.204 -1.120 2.265 1.00 90.66 C +HETATM 38 OD1 HYP A 6 1.002 -1.574 3.049 1.00 89.53 O +ATOM 39 N GLY A 7 0.596 -0.502 -2.000 1.00 92.53 N +ATOM 40 CA GLY A 7 0.263 -0.591 -3.393 1.00 91.87 C +ATOM 41 C GLY A 7 -0.176 -1.999 -3.737 1.00 92.22 C +ATOM 42 O GLY A 7 0.013 -2.938 -2.970 1.00 92.30 O +ATOM 43 N PRO A 8 -0.774 -2.142 -4.893 1.00 91.83 N +ATOM 44 CA PRO A 8 -1.236 -3.463 -5.284 1.00 91.58 C +ATOM 45 C PRO A 8 -0.067 -4.372 -5.616 1.00 91.82 C +ATOM 46 O PRO A 8 1.008 -3.925 -5.994 1.00 90.31 O +ATOM 47 CB PRO A 8 -2.092 -3.185 -6.510 1.00 89.38 C +ATOM 48 CG PRO A 8 -1.511 -1.944 -7.078 1.00 88.02 C +ATOM 49 CD PRO A 8 -1.066 -1.128 -5.890 1.00 89.79 C +HETATM 50 N HYP A 9 -0.294 -5.674 -5.480 1.00 90.88 N +HETATM 51 CA HYP A 9 0.695 -6.593 -5.840 1.00 93.29 C +HETATM 52 C HYP A 9 0.938 -6.526 -7.323 1.00 91.79 C +HETATM 53 O HYP A 9 0.001 -6.259 -8.091 1.00 90.01 O +HETATM 54 CB HYP A 9 0.088 -8.002 -5.512 1.00 86.70 C +HETATM 55 CG HYP A 9 -0.920 -7.720 -4.467 1.00 88.11 C +HETATM 56 CD HYP A 9 -1.459 -6.378 -4.806 1.00 91.22 C +HETATM 57 OD1 HYP A 9 -0.258 -7.635 -3.224 1.00 87.62 O +ATOM 58 N GLY A 10 2.132 -6.701 -7.783 1.00 90.81 N +ATOM 59 CA GLY A 10 2.375 -6.944 -9.180 1.00 88.29 C +ATOM 60 C GLY A 10 1.801 -8.307 -9.541 1.00 88.41 C +ATOM 61 O GLY A 10 1.236 -9.008 -8.696 1.00 87.82 O +ATOM 62 N TYR A 11 1.954 -8.684 -10.790 1.00 92.58 N +ATOM 63 CA TYR A 11 1.425 -9.984 -11.183 1.00 92.94 C +ATOM 64 C TYR A 11 1.974 -11.081 -10.265 1.00 92.90 C +ATOM 65 O TYR A 11 1.222 -11.931 -9.789 1.00 91.39 O +ATOM 66 CB TYR A 11 1.766 -10.255 -12.652 1.00 92.12 C +ATOM 67 CG TYR A 11 1.302 -11.604 -13.142 1.00 88.41 C +ATOM 68 CD1 TYR A 11 0.010 -12.043 -12.902 1.00 86.28 C +ATOM 69 CD2 TYR A 11 2.157 -12.445 -13.853 1.00 84.87 C +ATOM 70 CE1 TYR A 11 -0.417 -13.283 -13.345 1.00 82.27 C +ATOM 71 CE2 TYR A 11 1.737 -13.686 -14.310 1.00 83.12 C +ATOM 72 CZ TYR A 11 0.453 -14.099 -14.053 1.00 83.58 C +ATOM 73 OH TYR A 11 0.042 -15.331 -14.487 1.00 84.98 O +ATOM 74 N HIS A 12 3.278 -11.027 -10.012 1.00 93.13 N +ATOM 75 CA HIS A 12 3.889 -11.933 -9.042 1.00 94.12 C +ATOM 76 C HIS A 12 4.717 -11.168 -8.025 1.00 94.32 C +ATOM 77 O HIS A 12 5.418 -11.775 -7.210 1.00 91.94 O +ATOM 78 CB HIS A 12 4.795 -12.953 -9.751 1.00 92.87 C +ATOM 79 CG HIS A 12 4.043 -13.933 -10.607 1.00 89.52 C +ATOM 80 ND1 HIS A 12 3.114 -14.804 -10.099 1.00 84.64 N +ATOM 81 CD2 HIS A 12 4.112 -14.169 -11.926 1.00 80.16 C +ATOM 82 CE1 HIS A 12 2.635 -15.531 -11.088 1.00 82.05 C +ATOM 83 NE2 HIS A 12 3.221 -15.189 -12.209 1.00 83.87 N +ATOM 84 N GLY A 13 4.662 -9.874 -8.080 1.00 94.01 N +ATOM 85 CA GLY A 13 5.490 -9.051 -7.231 1.00 93.24 C +ATOM 86 C GLY A 13 4.875 -8.785 -5.875 1.00 93.33 C +ATOM 87 O GLY A 13 3.699 -9.056 -5.641 1.00 92.99 O +ATOM 88 N PRO A 14 5.670 -8.256 -4.979 1.00 93.02 N +ATOM 89 CA PRO A 14 5.182 -7.926 -3.649 1.00 92.35 C +ATOM 90 C PRO A 14 4.280 -6.711 -3.687 1.00 92.71 C +ATOM 91 O PRO A 14 4.258 -5.965 -4.662 1.00 91.09 O +ATOM 92 CB PRO A 14 6.462 -7.642 -2.871 1.00 90.51 C +ATOM 93 CG PRO A 14 7.380 -7.090 -3.909 1.00 89.28 C +ATOM 94 CD PRO A 14 7.070 -7.862 -5.159 1.00 90.59 C +HETATM 95 N HYP A 15 3.571 -6.519 -2.602 1.00 92.15 N +HETATM 96 CA HYP A 15 2.804 -5.328 -2.491 1.00 92.55 C +HETATM 97 C HYP A 15 3.669 -4.111 -2.560 1.00 93.75 C +HETATM 98 O HYP A 15 4.847 -4.168 -2.115 1.00 93.23 O +HETATM 99 CB HYP A 15 2.195 -5.479 -1.064 1.00 88.85 C +HETATM 100 CG HYP A 15 2.168 -6.978 -0.812 1.00 87.81 C +HETATM 101 CD HYP A 15 3.426 -7.452 -1.482 1.00 90.31 C +HETATM 102 OD1 HYP A 15 1.048 -7.536 -1.447 1.00 89.23 O +ATOM 103 N GLY A 16 3.163 -3.065 -3.123 1.00 94.72 N +ATOM 104 CA GLY A 16 3.882 -1.830 -3.132 1.00 94.39 C +ATOM 105 C GLY A 16 4.024 -1.282 -1.724 1.00 94.62 C +ATOM 106 O GLY A 16 3.404 -1.782 -0.781 1.00 94.12 O +ATOM 107 N PRO A 17 4.846 -0.260 -1.579 1.00 93.44 N +ATOM 108 CA PRO A 17 5.033 0.332 -0.260 1.00 92.85 C +ATOM 109 C PRO A 17 3.791 1.085 0.179 1.00 93.52 C +ATOM 110 O PRO A 17 2.944 1.441 -0.632 1.00 92.61 O +ATOM 111 CB PRO A 17 6.215 1.269 -0.464 1.00 91.46 C +ATOM 112 CG PRO A 17 6.125 1.641 -1.898 1.00 89.91 C +ATOM 113 CD PRO A 17 5.625 0.414 -2.606 1.00 91.58 C +HETATM 114 N HYP A 18 3.696 1.339 1.485 1.00 90.15 N +HETATM 115 CA HYP A 18 2.642 2.121 1.971 1.00 93.19 C +HETATM 116 C HYP A 18 2.653 3.508 1.366 1.00 91.37 C +HETATM 117 O HYP A 18 3.745 4.039 1.047 1.00 89.83 O +HETATM 118 CB HYP A 18 2.913 2.201 3.481 1.00 86.87 C +HETATM 119 CG HYP A 18 3.683 0.930 3.773 1.00 87.47 C +HETATM 120 CD HYP A 18 4.537 0.790 2.528 1.00 90.27 C +HETATM 121 OD1 HYP A 18 2.791 -0.159 3.863 1.00 86.93 O +ATOM 122 N GLY A 19 1.507 4.037 1.125 1.00 91.33 N +ATOM 123 CA GLY A 19 1.401 5.361 0.592 1.00 91.28 C +ATOM 124 C GLY A 19 1.901 6.392 1.579 1.00 91.41 C +ATOM 125 O GLY A 19 2.193 6.081 2.735 1.00 91.97 O +ATOM 126 N PRO A 20 1.999 7.626 1.125 1.00 87.40 N +ATOM 127 CA PRO A 20 2.459 8.684 2.004 1.00 87.05 C +ATOM 128 C PRO A 20 1.417 9.005 3.066 1.00 87.44 C +ATOM 129 O PRO A 20 0.255 8.633 2.935 1.00 87.66 O +ATOM 130 CB PRO A 20 2.658 9.856 1.050 1.00 84.66 C +ATOM 131 CG PRO A 20 1.676 9.600 -0.040 1.00 81.59 C +ATOM 132 CD PRO A 20 1.653 8.113 -0.205 1.00 83.73 C +HETATM 133 N HYP A 21 1.868 9.669 4.121 1.00 87.58 N +HETATM 134 CA HYP A 21 0.954 10.107 5.110 1.00 86.67 C +HETATM 135 C HYP A 21 -0.156 10.980 4.571 1.00 86.47 C +HETATM 136 O HYP A 21 0.114 11.729 3.642 1.00 89.76 O +HETATM 137 CB HYP A 21 1.780 10.815 6.147 1.00 83.89 C +HETATM 138 CG HYP A 21 3.149 10.179 6.003 1.00 82.75 C +HETATM 139 CD HYP A 21 3.254 9.927 4.511 1.00 88.08 C +HETATM 140 OD1 HYP A 21 3.147 8.914 6.665 1.00 81.40 O +ATOM 141 N GLY A 22 -1.350 10.788 5.020 1.00 86.93 N +ATOM 142 CA GLY A 22 -2.455 11.582 4.580 1.00 84.56 C +ATOM 143 C GLY A 22 -2.371 12.991 5.125 1.00 84.53 C +ATOM 144 O GLY A 22 -1.417 13.349 5.825 1.00 86.02 O +ATOM 145 N PRO A 23 -3.370 13.819 4.845 1.00 85.42 N +ATOM 146 CA PRO A 23 -3.398 15.171 5.383 1.00 85.16 C +ATOM 147 C PRO A 23 -3.360 15.132 6.897 1.00 84.03 C +ATOM 148 O PRO A 23 -3.819 14.169 7.509 1.00 80.57 O +ATOM 149 CB PRO A 23 -4.724 15.732 4.886 1.00 80.91 C +ATOM 150 CG PRO A 23 -5.041 14.903 3.698 1.00 77.09 C +ATOM 151 CD PRO A 23 -4.521 13.540 4.006 1.00 80.64 C +HETATM 152 N HYP A 24 -2.904 16.090 7.556 1.00 88.25 N +HETATM 153 CA HYP A 24 -2.699 16.011 8.956 1.00 81.03 C +HETATM 154 C HYP A 24 -3.392 14.929 9.701 1.00 86.47 C +HETATM 155 O HYP A 24 -3.538 14.965 10.907 1.00 80.69 O +HETATM 156 CB HYP A 24 -2.719 17.368 9.487 1.00 83.48 C +HETATM 157 CG HYP A 24 -2.600 18.265 8.257 1.00 81.44 C +HETATM 158 CD HYP A 24 -3.063 17.414 7.094 1.00 86.44 C +HETATM 159 OD1 HYP A 24 -1.236 18.556 8.007 1.00 83.39 O +HETATM 160 OXT HYP A 24 -3.876 14.019 9.093 1.00 79.67 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_501.txt b/protein_pdb_501.txt new file mode 100644 index 0000000000000000000000000000000000000000..95cdc45e606f9bd26b211ed9385715efa1d3901d --- /dev/null +++ b/protein_pdb_501.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 0.127 -16.248 -3.289 1.00 93.31 N +ATOM 2 CA GLY A 1 -0.253 -15.259 -4.241 1.00 93.64 C +ATOM 3 C GLY A 1 0.769 -14.152 -4.406 1.00 94.13 C +ATOM 4 O GLY A 1 1.733 -14.069 -3.651 1.00 93.14 O +ATOM 5 N PRO A 2 0.550 -13.312 -5.354 1.00 93.41 N +ATOM 6 CA PRO A 2 1.461 -12.218 -5.624 1.00 93.49 C +ATOM 7 C PRO A 2 1.314 -11.089 -4.621 1.00 93.13 C +ATOM 8 O PRO A 2 0.358 -11.047 -3.846 1.00 91.53 O +ATOM 9 CB PRO A 2 1.050 -11.769 -7.025 1.00 91.21 C +ATOM 10 CG PRO A 2 -0.404 -12.091 -7.084 1.00 88.65 C +ATOM 11 CD PRO A 2 -0.574 -13.351 -6.281 1.00 91.31 C +HETATM 12 N HYP A 3 2.283 -10.172 -4.655 1.00 93.17 N +HETATM 13 CA HYP A 3 2.201 -9.019 -3.783 1.00 91.95 C +HETATM 14 C HYP A 3 0.968 -8.194 -4.053 1.00 93.55 C +HETATM 15 O HYP A 3 0.468 -8.179 -5.199 1.00 94.09 O +HETATM 16 CB HYP A 3 3.487 -8.226 -4.181 1.00 89.22 C +HETATM 17 CG HYP A 3 4.431 -9.293 -4.668 1.00 85.75 C +HETATM 18 CD HYP A 3 3.502 -10.272 -5.396 1.00 90.53 C +HETATM 19 OD1 HYP A 3 5.023 -9.915 -3.569 1.00 88.53 O +ATOM 20 N GLY A 4 0.441 -7.601 -3.034 1.00 93.60 N +ATOM 21 CA GLY A 4 -0.709 -6.757 -3.162 1.00 92.85 C +ATOM 22 C GLY A 4 -0.392 -5.482 -3.910 1.00 93.24 C +ATOM 23 O GLY A 4 0.761 -5.205 -4.239 1.00 93.73 O +ATOM 24 N PRO A 5 -1.416 -4.686 -4.197 1.00 93.80 N +ATOM 25 CA PRO A 5 -1.209 -3.434 -4.919 1.00 93.68 C +ATOM 26 C PRO A 5 -0.494 -2.402 -4.061 1.00 93.31 C +ATOM 27 O PRO A 5 -0.467 -2.500 -2.838 1.00 91.92 O +ATOM 28 CB PRO A 5 -2.632 -2.983 -5.259 1.00 92.17 C +ATOM 29 CG PRO A 5 -3.465 -3.582 -4.187 1.00 90.38 C +ATOM 30 CD PRO A 5 -2.819 -4.896 -3.852 1.00 92.67 C +HETATM 31 N HYP A 6 0.123 -1.415 -4.725 1.00 92.49 N +HETATM 32 CA HYP A 6 0.733 -0.325 -4.021 1.00 94.15 C +HETATM 33 C HYP A 6 -0.235 0.417 -3.140 1.00 91.16 C +HETATM 34 O HYP A 6 -1.448 0.462 -3.447 1.00 93.62 O +HETATM 35 CB HYP A 6 1.234 0.587 -5.170 1.00 88.05 C +HETATM 36 CG HYP A 6 1.487 -0.365 -6.295 1.00 88.48 C +HETATM 37 CD HYP A 6 0.330 -1.347 -6.143 1.00 91.36 C +HETATM 38 OD1 HYP A 6 2.709 -1.019 -6.089 1.00 89.27 O +ATOM 39 N GLY A 7 0.243 0.907 -2.055 1.00 94.21 N +ATOM 40 CA GLY A 7 -0.562 1.686 -1.157 1.00 93.56 C +ATOM 41 C GLY A 7 -1.021 2.975 -1.812 1.00 94.32 C +ATOM 42 O GLY A 7 -0.574 3.339 -2.895 1.00 94.30 O +ATOM 43 N PRO A 8 -1.932 3.673 -1.154 1.00 94.62 N +ATOM 44 CA PRO A 8 -2.442 4.914 -1.716 1.00 94.16 C +ATOM 45 C PRO A 8 -1.398 6.021 -1.668 1.00 94.11 C +ATOM 46 O PRO A 8 -0.495 6.013 -0.842 1.00 92.37 O +ATOM 47 CB PRO A 8 -3.640 5.246 -0.833 1.00 92.52 C +ATOM 48 CG PRO A 8 -3.315 4.606 0.460 1.00 91.40 C +ATOM 49 CD PRO A 8 -2.543 3.355 0.124 1.00 93.56 C +HETATM 50 N HYP A 9 -1.538 7.007 -2.547 1.00 91.97 N +HETATM 51 CA HYP A 9 -0.672 8.124 -2.574 1.00 91.09 C +HETATM 52 C HYP A 9 -0.889 9.001 -1.358 1.00 90.95 C +HETATM 53 O HYP A 9 -1.960 9.006 -0.753 1.00 90.34 O +HETATM 54 CB HYP A 9 -1.149 8.930 -3.813 1.00 86.34 C +HETATM 55 CG HYP A 9 -1.877 7.971 -4.647 1.00 86.54 C +HETATM 56 CD HYP A 9 -2.476 7.014 -3.688 1.00 90.61 C +HETATM 57 OD1 HYP A 9 -0.949 7.286 -5.462 1.00 86.71 O +ATOM 58 N GLY A 10 0.067 9.731 -0.967 1.00 90.63 N +ATOM 59 CA GLY A 10 -0.127 10.825 -0.045 1.00 87.77 C +ATOM 60 C GLY A 10 -0.825 11.961 -0.770 1.00 87.43 C +ATOM 61 O GLY A 10 -1.312 11.803 -1.886 1.00 85.86 O +ATOM 62 N ASN A 11 -0.870 13.124 -0.138 1.00 90.24 N +ATOM 63 CA ASN A 11 -1.524 14.253 -0.800 1.00 91.46 C +ATOM 64 C ASN A 11 -0.924 14.514 -2.174 1.00 91.73 C +ATOM 65 O ASN A 11 -1.646 14.670 -3.158 1.00 88.79 O +ATOM 66 CB ASN A 11 -1.429 15.507 0.067 1.00 88.98 C +ATOM 67 CG ASN A 11 -2.397 15.466 1.234 1.00 82.76 C +ATOM 68 OD1 ASN A 11 -3.355 14.697 1.237 1.00 78.83 O +ATOM 69 ND2 ASN A 11 -2.156 16.308 2.221 1.00 76.81 N +ATOM 70 N ASN A 12 0.400 14.556 -2.228 1.00 92.08 N +ATOM 71 CA ASN A 12 1.121 14.688 -3.487 1.00 93.26 C +ATOM 72 C ASN A 12 2.280 13.700 -3.521 1.00 93.68 C +ATOM 73 O ASN A 12 3.310 13.957 -4.149 1.00 90.40 O +ATOM 74 CB ASN A 12 1.630 16.125 -3.673 1.00 91.12 C +ATOM 75 CG ASN A 12 0.499 17.098 -3.944 1.00 85.95 C +ATOM 76 OD1 ASN A 12 -0.047 17.686 -3.028 1.00 83.12 O +ATOM 77 ND2 ASN A 12 0.160 17.272 -5.210 1.00 78.97 N +ATOM 78 N GLY A 13 2.110 12.599 -2.850 1.00 93.11 N +ATOM 79 CA GLY A 13 3.188 11.652 -2.665 1.00 92.11 C +ATOM 80 C GLY A 13 3.030 10.395 -3.488 1.00 93.04 C +ATOM 81 O GLY A 13 1.992 10.158 -4.104 1.00 92.70 O +ATOM 82 N PRO A 14 4.073 9.591 -3.505 1.00 94.23 N +ATOM 83 CA PRO A 14 4.051 8.353 -4.266 1.00 93.67 C +ATOM 84 C PRO A 14 3.180 7.301 -3.592 1.00 93.81 C +ATOM 85 O PRO A 14 2.859 7.398 -2.415 1.00 92.77 O +ATOM 86 CB PRO A 14 5.517 7.923 -4.285 1.00 92.24 C +ATOM 87 CG PRO A 14 6.059 8.459 -3.016 1.00 91.19 C +ATOM 88 CD PRO A 14 5.342 9.768 -2.787 1.00 92.49 C +HETATM 89 N HYP A 15 2.833 6.324 -4.371 1.00 93.17 N +HETATM 90 CA HYP A 15 2.144 5.179 -3.829 1.00 92.56 C +HETATM 91 C HYP A 15 2.963 4.458 -2.815 1.00 94.68 C +HETATM 92 O HYP A 15 4.228 4.501 -2.868 1.00 93.45 O +HETATM 93 CB HYP A 15 1.941 4.316 -5.106 1.00 90.06 C +HETATM 94 CG HYP A 15 1.948 5.311 -6.254 1.00 87.43 C +HETATM 95 CD HYP A 15 2.966 6.322 -5.824 1.00 92.13 C +HETATM 96 OD1 HYP A 15 0.684 5.901 -6.370 1.00 89.12 O +ATOM 97 N GLY A 16 2.324 3.857 -1.881 1.00 94.33 N +ATOM 98 CA GLY A 16 3.014 3.045 -0.920 1.00 93.85 C +ATOM 99 C GLY A 16 3.562 1.787 -1.560 1.00 94.54 C +ATOM 100 O GLY A 16 3.322 1.515 -2.739 1.00 94.42 O +ATOM 101 N PRO A 17 4.311 1.021 -0.780 1.00 93.41 N +ATOM 102 CA PRO A 17 4.880 -0.215 -1.308 1.00 93.05 C +ATOM 103 C PRO A 17 3.806 -1.260 -1.563 1.00 93.63 C +ATOM 104 O PRO A 17 2.700 -1.177 -1.035 1.00 92.27 O +ATOM 105 CB PRO A 17 5.851 -0.651 -0.218 1.00 91.54 C +ATOM 106 CG PRO A 17 5.326 -0.033 1.018 1.00 90.11 C +ATOM 107 CD PRO A 17 4.676 1.251 0.613 1.00 91.74 C +HETATM 108 N HYP A 18 4.143 -2.254 -2.394 1.00 89.99 N +HETATM 109 CA HYP A 18 3.249 -3.349 -2.606 1.00 89.96 C +HETATM 110 C HYP A 18 2.917 -4.091 -1.354 1.00 90.57 C +HETATM 111 O HYP A 18 3.759 -4.155 -0.432 1.00 91.76 O +HETATM 112 CB HYP A 18 4.050 -4.245 -3.575 1.00 86.90 C +HETATM 113 CG HYP A 18 4.922 -3.285 -4.336 1.00 84.10 C +HETATM 114 CD HYP A 18 5.314 -2.296 -3.251 1.00 89.98 C +HETATM 115 OD1 HYP A 18 4.164 -2.652 -5.336 1.00 88.26 O +ATOM 116 N GLY A 19 1.729 -4.555 -1.257 1.00 91.34 N +ATOM 117 CA GLY A 19 1.315 -5.330 -0.124 1.00 90.67 C +ATOM 118 C GLY A 19 2.045 -6.649 -0.052 1.00 91.14 C +ATOM 119 O GLY A 19 2.797 -7.011 -0.959 1.00 91.94 O +ATOM 120 N PRO A 20 1.832 -7.384 1.030 1.00 87.40 N +ATOM 121 CA PRO A 20 2.487 -8.670 1.183 1.00 87.67 C +ATOM 122 C PRO A 20 1.927 -9.697 0.214 1.00 86.74 C +ATOM 123 O PRO A 20 0.840 -9.526 -0.330 1.00 87.81 O +ATOM 124 CB PRO A 20 2.180 -9.046 2.632 1.00 86.11 C +ATOM 125 CG PRO A 20 0.899 -8.350 2.915 1.00 84.04 C +ATOM 126 CD PRO A 20 0.950 -7.064 2.140 1.00 84.75 C +HETATM 127 N HYP A 21 2.704 -10.749 0.006 1.00 87.76 N +HETATM 128 CA HYP A 21 2.232 -11.826 -0.824 1.00 88.19 C +HETATM 129 C HYP A 21 0.946 -12.445 -0.324 1.00 86.45 C +HETATM 130 O HYP A 21 0.740 -12.485 0.889 1.00 91.36 O +HETATM 131 CB HYP A 21 3.361 -12.840 -0.822 1.00 85.89 C +HETATM 132 CG HYP A 21 4.589 -12.045 -0.501 1.00 81.26 C +HETATM 133 CD HYP A 21 4.079 -10.996 0.448 1.00 88.05 C +HETATM 134 OD1 HYP A 21 5.067 -11.420 -1.684 1.00 85.91 O +ATOM 135 N GLY A 22 0.078 -12.767 -1.217 1.00 89.04 N +ATOM 136 CA GLY A 22 -1.154 -13.415 -0.865 1.00 86.05 C +ATOM 137 C GLY A 22 -0.894 -14.814 -0.343 1.00 86.04 C +ATOM 138 O GLY A 22 0.238 -15.298 -0.366 1.00 87.22 O +ATOM 139 N PRO A 23 -1.935 -15.508 0.109 1.00 92.20 N +ATOM 140 CA PRO A 23 -1.764 -16.873 0.592 1.00 92.45 C +ATOM 141 C PRO A 23 -1.474 -17.809 -0.570 1.00 91.70 C +ATOM 142 O PRO A 23 -2.328 -18.021 -1.426 1.00 89.33 O +ATOM 143 CB PRO A 23 -3.094 -17.182 1.269 1.00 90.22 C +ATOM 144 CG PRO A 23 -4.062 -16.255 0.645 1.00 88.33 C +ATOM 145 CD PRO A 23 -3.302 -15.040 0.195 1.00 91.48 C +HETATM 146 N HYP A 24 -0.300 -18.205 -0.806 1.00 94.87 N +HETATM 147 CA HYP A 24 0.365 -18.638 -2.081 1.00 91.73 C +HETATM 148 C HYP A 24 0.307 -17.906 -3.215 1.00 95.05 C +HETATM 149 O HYP A 24 -0.436 -18.258 -4.236 1.00 94.05 O +HETATM 150 CB HYP A 24 1.082 -19.873 -1.779 1.00 90.72 C +HETATM 151 CG HYP A 24 0.545 -20.359 -0.416 1.00 88.98 C +HETATM 152 CD HYP A 24 -0.360 -19.233 0.114 1.00 92.74 C +HETATM 153 OD1 HYP A 24 1.599 -20.531 0.507 1.00 89.76 O +HETATM 154 OXT HYP A 24 1.516 -17.577 -3.793 1.00 88.85 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_502.txt b/protein_pdb_502.txt new file mode 100644 index 0000000000000000000000000000000000000000..058c499dc068cc67f89c7f5c30a2321cff5fe354 --- /dev/null +++ b/protein_pdb_502.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 9.366 0.537 -12.879 1.00 91.70 N +ATOM 2 CA GLY A 1 9.107 1.766 -12.174 1.00 92.32 C +ATOM 3 C GLY A 1 9.217 1.594 -10.680 1.00 92.61 C +ATOM 4 O GLY A 1 9.454 0.491 -10.193 1.00 90.94 O +ATOM 5 N PRO A 2 8.995 2.650 -9.869 1.00 92.10 N +ATOM 6 CA PRO A 2 9.091 2.585 -8.422 1.00 92.28 C +ATOM 7 C PRO A 2 7.905 1.859 -7.805 1.00 92.04 C +ATOM 8 O PRO A 2 6.872 1.677 -8.434 1.00 90.45 O +ATOM 9 CB PRO A 2 9.112 4.055 -8.011 1.00 89.58 C +ATOM 10 CG PRO A 2 8.367 4.743 -9.093 1.00 85.45 C +ATOM 11 CD PRO A 2 8.698 3.996 -10.350 1.00 88.70 C +HETATM 12 N HYP A 3 8.096 1.451 -6.581 1.00 90.58 N +HETATM 13 CA HYP A 3 6.967 0.857 -5.833 1.00 90.38 C +HETATM 14 C HYP A 3 5.813 1.828 -5.723 1.00 89.77 C +HETATM 15 O HYP A 3 6.047 3.046 -5.697 1.00 94.32 O +HETATM 16 CB HYP A 3 7.597 0.594 -4.441 1.00 90.66 C +HETATM 17 CG HYP A 3 9.058 0.337 -4.735 1.00 86.87 C +HETATM 18 CD HYP A 3 9.334 1.372 -5.859 1.00 91.82 C +HETATM 19 OD1 HYP A 3 9.181 -0.954 -5.219 1.00 91.12 O +ATOM 20 N GLY A 4 4.632 1.263 -5.740 1.00 94.52 N +ATOM 21 CA GLY A 4 3.463 2.068 -5.576 1.00 93.98 C +ATOM 22 C GLY A 4 3.390 2.677 -4.184 1.00 94.50 C +ATOM 23 O GLY A 4 4.152 2.313 -3.294 1.00 94.58 O +ATOM 24 N PRO A 5 2.473 3.614 -3.997 1.00 94.21 N +ATOM 25 CA PRO A 5 2.324 4.251 -2.697 1.00 93.78 C +ATOM 26 C PRO A 5 1.726 3.299 -1.675 1.00 93.73 C +ATOM 27 O PRO A 5 1.142 2.284 -2.020 1.00 92.35 O +ATOM 28 CB PRO A 5 1.392 5.421 -2.989 1.00 92.03 C +ATOM 29 CG PRO A 5 0.569 4.940 -4.137 1.00 89.64 C +ATOM 30 CD PRO A 5 1.496 4.103 -4.964 1.00 92.44 C +HETATM 31 N HYP A 6 1.896 3.656 -0.430 1.00 93.95 N +HETATM 32 CA HYP A 6 1.278 2.888 0.641 1.00 95.49 C +HETATM 33 C HYP A 6 -0.220 2.855 0.512 1.00 95.59 C +HETATM 34 O HYP A 6 -0.825 3.845 0.027 1.00 94.91 O +HETATM 35 CB HYP A 6 1.708 3.670 1.904 1.00 92.34 C +HETATM 36 CG HYP A 6 2.986 4.351 1.494 1.00 90.46 C +HETATM 37 CD HYP A 6 2.710 4.727 0.050 1.00 92.87 C +HETATM 38 OD1 HYP A 6 4.042 3.412 1.549 1.00 91.54 O +ATOM 39 N GLY A 7 -0.776 1.740 0.856 1.00 94.61 N +ATOM 40 CA GLY A 7 -2.205 1.627 0.847 1.00 93.99 C +ATOM 41 C GLY A 7 -2.833 2.521 1.896 1.00 94.42 C +ATOM 42 O GLY A 7 -2.150 3.094 2.743 1.00 94.33 O +ATOM 43 N PRO A 8 -4.147 2.647 1.843 1.00 94.82 N +ATOM 44 CA PRO A 8 -4.836 3.464 2.831 1.00 94.46 C +ATOM 45 C PRO A 8 -4.846 2.788 4.193 1.00 94.74 C +ATOM 46 O PRO A 8 -4.608 1.588 4.312 1.00 93.49 O +ATOM 47 CB PRO A 8 -6.245 3.581 2.264 1.00 92.79 C +ATOM 48 CG PRO A 8 -6.413 2.325 1.487 1.00 91.70 C +ATOM 49 CD PRO A 8 -5.057 2.020 0.909 1.00 93.93 C +HETATM 50 N HYP A 9 -5.135 3.582 5.238 1.00 93.77 N +HETATM 51 CA HYP A 9 -5.258 3.026 6.523 1.00 93.98 C +HETATM 52 C HYP A 9 -6.371 1.997 6.592 1.00 94.47 C +HETATM 53 O HYP A 9 -7.380 2.148 5.889 1.00 94.58 O +HETATM 54 CB HYP A 9 -5.608 4.240 7.434 1.00 90.70 C +HETATM 55 CG HYP A 9 -5.029 5.398 6.710 1.00 90.18 C +HETATM 56 CD HYP A 9 -5.232 5.065 5.273 1.00 92.81 C +HETATM 57 OD1 HYP A 9 -3.651 5.476 6.991 1.00 90.05 O +ATOM 58 N GLY A 10 -6.181 0.956 7.317 1.00 94.11 N +ATOM 59 CA GLY A 10 -7.270 0.053 7.606 1.00 92.48 C +ATOM 60 C GLY A 10 -8.336 0.778 8.396 1.00 92.51 C +ATOM 61 O GLY A 10 -8.233 1.974 8.669 1.00 91.05 O +ATOM 62 N LYS A 11 -9.367 0.041 8.771 1.00 92.31 N +ATOM 63 CA LYS A 11 -10.481 0.653 9.493 1.00 92.84 C +ATOM 64 C LYS A 11 -9.987 1.517 10.656 1.00 92.27 C +ATOM 65 O LYS A 11 -10.454 2.646 10.847 1.00 90.52 O +ATOM 66 CB LYS A 11 -11.422 -0.451 9.973 1.00 90.13 C +ATOM 67 CG LYS A 11 -12.717 0.056 10.569 1.00 86.69 C +ATOM 68 CD LYS A 11 -13.626 -1.113 10.877 1.00 82.10 C +ATOM 69 CE LYS A 11 -14.928 -0.662 11.500 1.00 78.70 C +ATOM 70 NZ LYS A 11 -15.777 -1.827 11.852 1.00 71.61 N +ATOM 71 N PHE A 12 -9.039 0.994 11.407 1.00 92.65 N +ATOM 72 CA PHE A 12 -8.355 1.737 12.468 1.00 93.61 C +ATOM 73 C PHE A 12 -6.875 1.364 12.508 1.00 94.27 C +ATOM 74 O PHE A 12 -6.227 1.474 13.541 1.00 91.38 O +ATOM 75 CB PHE A 12 -8.994 1.456 13.832 1.00 92.71 C +ATOM 76 CG PHE A 12 -10.454 1.827 13.888 1.00 89.01 C +ATOM 77 CD1 PHE A 12 -10.831 3.154 13.942 1.00 85.09 C +ATOM 78 CD2 PHE A 12 -11.439 0.851 13.870 1.00 84.84 C +ATOM 79 CE1 PHE A 12 -12.173 3.502 13.971 1.00 83.94 C +ATOM 80 CE2 PHE A 12 -12.783 1.195 13.896 1.00 85.37 C +ATOM 81 CZ PHE A 12 -13.154 2.525 13.956 1.00 85.61 C +ATOM 82 N GLY A 13 -6.348 0.924 11.387 1.00 95.59 N +ATOM 83 CA GLY A 13 -5.017 0.359 11.335 1.00 95.14 C +ATOM 84 C GLY A 13 -4.043 1.180 10.524 1.00 95.33 C +ATOM 85 O GLY A 13 -4.384 2.233 9.994 1.00 94.90 O +ATOM 86 N PRO A 14 -2.815 0.697 10.434 1.00 95.72 N +ATOM 87 CA PRO A 14 -1.782 1.394 9.695 1.00 95.47 C +ATOM 88 C PRO A 14 -2.028 1.333 8.198 1.00 95.51 C +ATOM 89 O PRO A 14 -2.838 0.552 7.714 1.00 94.43 O +ATOM 90 CB PRO A 14 -0.507 0.638 10.066 1.00 94.25 C +ATOM 91 CG PRO A 14 -0.986 -0.745 10.337 1.00 92.88 C +ATOM 92 CD PRO A 14 -2.342 -0.575 10.967 1.00 94.08 C +HETATM 93 N HYP A 15 -1.295 2.177 7.515 1.00 94.29 N +HETATM 94 CA HYP A 15 -1.308 2.108 6.067 1.00 94.67 C +HETATM 95 C HYP A 15 -0.936 0.774 5.527 1.00 95.08 C +HETATM 96 O HYP A 15 -0.132 0.063 6.175 1.00 94.75 O +HETATM 97 CB HYP A 15 -0.304 3.205 5.679 1.00 92.00 C +HETATM 98 CG HYP A 15 -0.299 4.157 6.863 1.00 90.99 C +HETATM 99 CD HYP A 15 -0.471 3.232 8.053 1.00 93.38 C +HETATM 100 OD1 HYP A 15 -1.385 5.049 6.768 1.00 92.35 O +ATOM 101 N GLY A 16 -1.488 0.403 4.415 1.00 96.40 N +ATOM 102 CA GLY A 16 -1.115 -0.818 3.765 1.00 96.15 C +ATOM 103 C GLY A 16 0.301 -0.748 3.235 1.00 96.31 C +ATOM 104 O GLY A 16 0.933 0.313 3.230 1.00 95.94 O +ATOM 105 N PRO A 17 0.815 -1.895 2.772 1.00 94.74 N +ATOM 106 CA PRO A 17 2.171 -1.927 2.251 1.00 94.09 C +ATOM 107 C PRO A 17 2.278 -1.214 0.916 1.00 94.43 C +ATOM 108 O PRO A 17 1.281 -0.983 0.238 1.00 92.89 O +ATOM 109 CB PRO A 17 2.447 -3.424 2.107 1.00 92.71 C +ATOM 110 CG PRO A 17 1.105 -4.013 1.889 1.00 91.35 C +ATOM 111 CD PRO A 17 0.156 -3.185 2.709 1.00 93.06 C +HETATM 112 N HYP A 18 3.499 -0.862 0.549 1.00 91.97 N +HETATM 113 CA HYP A 18 3.741 -0.312 -0.734 1.00 92.38 C +HETATM 114 C HYP A 18 3.320 -1.229 -1.854 1.00 93.26 C +HETATM 115 O HYP A 18 3.382 -2.470 -1.693 1.00 93.23 O +HETATM 116 CB HYP A 18 5.279 -0.120 -0.735 1.00 89.59 C +HETATM 117 CG HYP A 18 5.648 0.026 0.723 1.00 88.58 C +HETATM 118 CD HYP A 18 4.680 -0.931 1.378 1.00 92.83 C +HETATM 119 OD1 HYP A 18 5.354 1.355 1.160 1.00 90.34 O +ATOM 120 N GLY A 19 2.879 -0.667 -2.931 1.00 93.52 N +ATOM 121 CA GLY A 19 2.533 -1.438 -4.093 1.00 93.05 C +ATOM 122 C GLY A 19 3.759 -2.027 -4.752 1.00 93.21 C +ATOM 123 O GLY A 19 4.895 -1.682 -4.420 1.00 93.57 O +ATOM 124 N PRO A 20 3.541 -2.923 -5.700 1.00 88.60 N +ATOM 125 CA PRO A 20 4.656 -3.534 -6.404 1.00 87.46 C +ATOM 126 C PRO A 20 5.322 -2.545 -7.349 1.00 87.12 C +ATOM 127 O PRO A 20 4.757 -1.513 -7.688 1.00 86.92 O +ATOM 128 CB PRO A 20 3.995 -4.680 -7.168 1.00 84.73 C +ATOM 129 CG PRO A 20 2.606 -4.197 -7.399 1.00 81.84 C +ATOM 130 CD PRO A 20 2.250 -3.383 -6.189 1.00 85.14 C +HETATM 131 N HYP A 21 6.560 -2.872 -7.747 1.00 88.76 N +HETATM 132 CA HYP A 21 7.222 -2.095 -8.741 1.00 88.89 C +HETATM 133 C HYP A 21 6.446 -1.936 -10.033 1.00 87.77 C +HETATM 134 O HYP A 21 5.755 -2.877 -10.428 1.00 93.58 O +HETATM 135 CB HYP A 21 8.538 -2.821 -8.993 1.00 86.69 C +HETATM 136 CG HYP A 21 8.807 -3.564 -7.718 1.00 82.33 C +HETATM 137 CD HYP A 21 7.425 -3.955 -7.252 1.00 89.57 C +HETATM 138 OD1 HYP A 21 9.360 -2.660 -6.762 1.00 86.83 O +ATOM 139 N GLY A 22 6.462 -0.766 -10.607 1.00 90.54 N +ATOM 140 CA GLY A 22 5.816 -0.536 -11.866 1.00 88.27 C +ATOM 141 C GLY A 22 6.568 -1.212 -13.000 1.00 88.22 C +ATOM 142 O GLY A 22 7.621 -1.819 -12.796 1.00 87.48 O +ATOM 143 N PRO A 23 6.054 -1.100 -14.224 1.00 94.20 N +ATOM 144 CA PRO A 23 6.737 -1.701 -15.362 1.00 93.49 C +ATOM 145 C PRO A 23 8.070 -1.007 -15.603 1.00 92.52 C +ATOM 146 O PRO A 23 8.189 0.193 -15.424 1.00 89.19 O +ATOM 147 CB PRO A 23 5.766 -1.491 -16.515 1.00 90.88 C +ATOM 148 CG PRO A 23 4.962 -0.308 -16.105 1.00 88.55 C +ATOM 149 CD PRO A 23 4.858 -0.384 -14.606 1.00 92.10 C +HETATM 150 N HYP A 24 9.048 -1.690 -15.943 1.00 92.79 N +HETATM 151 CA HYP A 24 10.432 -1.144 -16.005 1.00 88.02 C +HETATM 152 C HYP A 24 10.623 0.206 -15.454 1.00 89.88 C +HETATM 153 O HYP A 24 11.563 0.940 -15.739 1.00 91.10 O +HETATM 154 CB HYP A 24 11.009 -1.578 -17.231 1.00 89.22 C +HETATM 155 CG HYP A 24 10.138 -2.695 -17.747 1.00 87.69 C +HETATM 156 CD HYP A 24 8.823 -2.621 -16.965 1.00 91.29 C +HETATM 157 OD1 HYP A 24 10.705 -3.957 -17.437 1.00 87.68 O +HETATM 158 OXT HYP A 24 9.911 0.699 -14.638 1.00 87.93 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_503.txt b/protein_pdb_503.txt new file mode 100644 index 0000000000000000000000000000000000000000..7d75198f6cf1de305a7edcb0680a26d45fb89a9f --- /dev/null +++ b/protein_pdb_503.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 0.182 -16.084 -1.952 1.00 94.14 N +ATOM 2 CA GLY A 1 0.171 -15.224 -3.089 1.00 94.53 C +ATOM 3 C GLY A 1 1.211 -14.123 -3.029 1.00 95.33 C +ATOM 4 O GLY A 1 1.873 -13.937 -2.003 1.00 94.63 O +ATOM 5 N PRO A 2 1.340 -13.409 -4.081 1.00 93.94 N +ATOM 6 CA PRO A 2 2.318 -12.340 -4.161 1.00 94.08 C +ATOM 7 C PRO A 2 1.863 -11.090 -3.427 1.00 94.13 C +ATOM 8 O PRO A 2 0.706 -10.966 -3.036 1.00 92.67 O +ATOM 9 CB PRO A 2 2.424 -12.093 -5.665 1.00 91.81 C +ATOM 10 CG PRO A 2 1.057 -12.421 -6.165 1.00 89.34 C +ATOM 11 CD PRO A 2 0.581 -13.561 -5.315 1.00 91.85 C +HETATM 12 N HYP A 3 2.812 -10.163 -3.273 1.00 93.57 N +HETATM 13 CA HYP A 3 2.473 -8.906 -2.649 1.00 91.56 C +HETATM 14 C HYP A 3 1.434 -8.138 -3.448 1.00 93.08 C +HETATM 15 O HYP A 3 1.382 -8.271 -4.685 1.00 94.38 O +HETATM 16 CB HYP A 3 3.829 -8.134 -2.690 1.00 89.79 C +HETATM 17 CG HYP A 3 4.872 -9.226 -2.700 1.00 85.39 C +HETATM 18 CD HYP A 3 4.216 -10.321 -3.562 1.00 89.86 C +HETATM 19 OD1 HYP A 3 5.048 -9.696 -1.394 1.00 89.09 O +ATOM 20 N GLY A 4 0.585 -7.459 -2.758 1.00 95.00 N +ATOM 21 CA GLY A 4 -0.408 -6.647 -3.405 1.00 94.55 C +ATOM 22 C GLY A 4 0.214 -5.466 -4.112 1.00 95.21 C +ATOM 23 O GLY A 4 1.410 -5.189 -3.972 1.00 95.41 O +ATOM 24 N PRO A 5 -0.585 -4.747 -4.884 1.00 95.24 N +ATOM 25 CA PRO A 5 -0.078 -3.589 -5.608 1.00 95.16 C +ATOM 26 C PRO A 5 0.255 -2.437 -4.671 1.00 95.14 C +ATOM 27 O PRO A 5 -0.226 -2.380 -3.543 1.00 94.31 O +ATOM 28 CB PRO A 5 -1.230 -3.226 -6.543 1.00 94.07 C +ATOM 29 CG PRO A 5 -2.438 -3.720 -5.828 1.00 92.71 C +ATOM 30 CD PRO A 5 -2.009 -4.958 -5.103 1.00 94.40 C +HETATM 31 N HYP A 6 1.119 -1.514 -5.167 1.00 93.48 N +HETATM 32 CA HYP A 6 1.401 -0.327 -4.413 1.00 94.88 C +HETATM 33 C HYP A 6 0.154 0.474 -4.111 1.00 93.07 C +HETATM 34 O HYP A 6 -0.803 0.439 -4.907 1.00 94.14 O +HETATM 35 CB HYP A 6 2.340 0.471 -5.351 1.00 90.02 C +HETATM 36 CG HYP A 6 2.993 -0.594 -6.178 1.00 89.47 C +HETATM 37 CD HYP A 6 1.859 -1.577 -6.398 1.00 91.88 C +HETATM 38 OD1 HYP A 6 4.015 -1.203 -5.440 1.00 89.64 O +ATOM 39 N GLY A 7 0.127 1.087 -2.987 1.00 95.22 N +ATOM 40 CA GLY A 7 -0.969 1.946 -2.633 1.00 94.95 C +ATOM 41 C GLY A 7 -1.071 3.122 -3.582 1.00 95.50 C +ATOM 42 O GLY A 7 -0.166 3.394 -4.366 1.00 95.70 O +ATOM 43 N PRO A 8 -2.188 3.815 -3.525 1.00 95.54 N +ATOM 44 CA PRO A 8 -2.381 4.952 -4.409 1.00 95.15 C +ATOM 45 C PRO A 8 -1.485 6.119 -4.018 1.00 95.32 C +ATOM 46 O PRO A 8 -1.053 6.238 -2.877 1.00 94.11 O +ATOM 47 CB PRO A 8 -3.853 5.293 -4.237 1.00 93.64 C +ATOM 48 CG PRO A 8 -4.173 4.823 -2.870 1.00 92.23 C +ATOM 49 CD PRO A 8 -3.331 3.604 -2.641 1.00 94.41 C +HETATM 50 N HYP A 9 -1.224 6.998 -4.995 1.00 92.77 N +HETATM 51 CA HYP A 9 -0.471 8.168 -4.730 1.00 91.57 C +HETATM 52 C HYP A 9 -1.191 9.068 -3.776 1.00 92.08 C +HETATM 53 O HYP A 9 -2.421 9.131 -3.768 1.00 92.26 O +HETATM 54 CB HYP A 9 -0.352 8.872 -6.112 1.00 89.53 C +HETATM 55 CG HYP A 9 -0.577 7.810 -7.111 1.00 88.77 C +HETATM 56 CD HYP A 9 -1.534 6.870 -6.447 1.00 91.35 C +HETATM 57 OD1 HYP A 9 0.640 7.137 -7.328 1.00 87.02 O +ATOM 58 N GLY A 10 -0.505 9.743 -2.931 1.00 94.01 N +ATOM 59 CA GLY A 10 -1.082 10.843 -2.195 1.00 92.85 C +ATOM 60 C GLY A 10 -1.357 11.987 -3.144 1.00 93.24 C +ATOM 61 O GLY A 10 -1.030 11.934 -4.331 1.00 92.41 O +ATOM 62 N SER A 11 -1.960 13.039 -2.625 1.00 93.73 N +ATOM 63 CA SER A 11 -2.252 14.180 -3.487 1.00 93.67 C +ATOM 64 C SER A 11 -0.985 14.743 -4.127 1.00 94.21 C +ATOM 65 O SER A 11 -1.018 15.201 -5.266 1.00 91.81 O +ATOM 66 CB SER A 11 -2.989 15.259 -2.706 1.00 90.84 C +ATOM 67 OG SER A 11 -2.324 15.552 -1.501 1.00 83.87 O +ATOM 68 N ASN A 12 0.117 14.674 -3.398 1.00 92.90 N +ATOM 69 CA ASN A 12 1.414 15.135 -3.895 1.00 94.17 C +ATOM 70 C ASN A 12 2.523 14.161 -3.524 1.00 94.22 C +ATOM 71 O ASN A 12 3.685 14.556 -3.438 1.00 91.37 O +ATOM 72 CB ASN A 12 1.737 16.529 -3.336 1.00 92.52 C +ATOM 73 CG ASN A 12 0.687 17.552 -3.694 1.00 87.30 C +ATOM 74 OD1 ASN A 12 -0.226 17.805 -2.917 1.00 85.35 O +ATOM 75 ND2 ASN A 12 0.813 18.140 -4.868 1.00 80.79 N +ATOM 76 N GLY A 13 2.189 12.924 -3.297 1.00 94.90 N +ATOM 77 CA GLY A 13 3.134 11.981 -2.738 1.00 94.34 C +ATOM 78 C GLY A 13 3.256 10.690 -3.512 1.00 95.01 C +ATOM 79 O GLY A 13 2.514 10.446 -4.464 1.00 94.94 O +ATOM 80 N PRO A 14 4.197 9.866 -3.106 1.00 95.51 N +ATOM 81 CA PRO A 14 4.457 8.606 -3.789 1.00 95.28 C +ATOM 82 C PRO A 14 3.395 7.564 -3.479 1.00 95.31 C +ATOM 83 O PRO A 14 2.606 7.708 -2.557 1.00 94.43 O +ATOM 84 CB PRO A 14 5.818 8.181 -3.233 1.00 93.88 C +ATOM 85 CG PRO A 14 5.822 8.740 -1.855 1.00 92.61 C +ATOM 86 CD PRO A 14 5.084 10.051 -1.947 1.00 94.23 C +HETATM 87 N HYP A 15 3.442 6.527 -4.258 1.00 94.26 N +HETATM 88 CA HYP A 15 2.593 5.381 -4.014 1.00 94.08 C +HETATM 89 C HYP A 15 2.884 4.753 -2.688 1.00 94.88 C +HETATM 90 O HYP A 15 4.039 4.815 -2.195 1.00 94.21 O +HETATM 91 CB HYP A 15 3.005 4.446 -5.173 1.00 91.53 C +HETATM 92 CG HYP A 15 3.528 5.355 -6.267 1.00 88.87 C +HETATM 93 CD HYP A 15 4.232 6.441 -5.486 1.00 92.51 C +HETATM 94 OD1 HYP A 15 2.457 5.902 -6.986 1.00 89.91 O +ATOM 95 N GLY A 16 1.898 4.192 -2.102 1.00 95.81 N +ATOM 96 CA GLY A 16 2.105 3.439 -0.891 1.00 95.65 C +ATOM 97 C GLY A 16 2.891 2.176 -1.172 1.00 96.13 C +ATOM 98 O GLY A 16 3.137 1.816 -2.323 1.00 96.17 O +ATOM 99 N PRO A 17 3.287 1.498 -0.102 1.00 94.50 N +ATOM 100 CA PRO A 17 4.038 0.265 -0.261 1.00 94.38 C +ATOM 101 C PRO A 17 3.171 -0.859 -0.812 1.00 94.72 C +ATOM 102 O PRO A 17 1.944 -0.784 -0.764 1.00 93.78 O +ATOM 103 CB PRO A 17 4.524 -0.037 1.152 1.00 93.04 C +ATOM 104 CG PRO A 17 3.511 0.603 2.026 1.00 91.59 C +ATOM 105 CD PRO A 17 3.053 1.831 1.298 1.00 93.78 C +HETATM 106 N HYP A 18 3.843 -1.894 -1.332 1.00 91.49 N +HETATM 107 CA HYP A 18 3.117 -3.060 -1.766 1.00 90.48 C +HETATM 108 C HYP A 18 2.337 -3.682 -0.659 1.00 93.05 C +HETATM 109 O HYP A 18 2.744 -3.604 0.520 1.00 93.08 O +HETATM 110 CB HYP A 18 4.267 -4.003 -2.216 1.00 88.24 C +HETATM 111 CG HYP A 18 5.368 -3.079 -2.636 1.00 85.77 C +HETATM 112 CD HYP A 18 5.265 -1.962 -1.609 1.00 90.35 C +HETATM 113 OD1 HYP A 18 5.100 -2.579 -3.925 1.00 89.12 O +ATOM 114 N GLY A 19 1.207 -4.213 -0.982 1.00 92.90 N +ATOM 115 CA GLY A 19 0.402 -4.910 -0.015 1.00 92.59 C +ATOM 116 C GLY A 19 1.096 -6.160 0.484 1.00 93.21 C +ATOM 117 O GLY A 19 2.123 -6.576 -0.056 1.00 93.94 O +ATOM 118 N PRO A 20 0.539 -6.770 1.514 1.00 91.61 N +ATOM 119 CA PRO A 20 1.125 -7.983 2.054 1.00 91.45 C +ATOM 120 C PRO A 20 0.939 -9.159 1.112 1.00 91.51 C +ATOM 121 O PRO A 20 0.098 -9.120 0.214 1.00 91.63 O +ATOM 122 CB PRO A 20 0.355 -8.190 3.354 1.00 89.72 C +ATOM 123 CG PRO A 20 -0.963 -7.558 3.091 1.00 88.11 C +ATOM 124 CD PRO A 20 -0.687 -6.386 2.197 1.00 90.10 C +HETATM 125 N HYP A 21 1.755 -10.196 1.326 1.00 90.66 N +HETATM 126 CA HYP A 21 1.589 -11.399 0.556 1.00 89.28 C +HETATM 127 C HYP A 21 0.196 -11.981 0.701 1.00 91.46 C +HETATM 128 O HYP A 21 -0.370 -11.897 1.782 1.00 92.79 O +HETATM 129 CB HYP A 21 2.640 -12.352 1.061 1.00 87.42 C +HETATM 130 CG HYP A 21 3.707 -11.471 1.642 1.00 83.95 C +HETATM 131 CD HYP A 21 2.919 -10.311 2.224 1.00 88.82 C +HETATM 132 OD1 HYP A 21 4.538 -10.979 0.587 1.00 86.57 O +ATOM 133 N GLY A 22 -0.349 -12.446 -0.375 1.00 92.21 N +ATOM 134 CA GLY A 22 -1.623 -13.103 -0.337 1.00 90.06 C +ATOM 135 C GLY A 22 -1.521 -14.410 0.425 1.00 90.24 C +ATOM 136 O GLY A 22 -0.428 -14.883 0.733 1.00 90.68 O +ATOM 137 N PRO A 23 -2.656 -15.035 0.719 1.00 94.61 N +ATOM 138 CA PRO A 23 -2.628 -16.317 1.413 1.00 94.46 C +ATOM 139 C PRO A 23 -2.104 -17.396 0.480 1.00 93.93 C +ATOM 140 O PRO A 23 -2.752 -17.743 -0.504 1.00 91.57 O +ATOM 141 CB PRO A 23 -4.076 -16.542 1.817 1.00 92.42 C +ATOM 142 CG PRO A 23 -4.879 -15.647 0.965 1.00 90.63 C +ATOM 143 CD PRO A 23 -3.990 -14.563 0.431 1.00 93.10 C +HETATM 144 N HYP A 24 -0.895 -17.775 0.584 1.00 95.27 N +HETATM 145 CA HYP A 24 -0.012 -18.380 -0.470 1.00 91.82 C +HETATM 146 C HYP A 24 0.288 -17.698 -1.621 1.00 94.99 C +HETATM 147 O HYP A 24 -0.180 -18.174 -2.761 1.00 93.58 O +HETATM 148 CB HYP A 24 0.768 -19.428 0.205 1.00 90.29 C +HETATM 149 CG HYP A 24 -0.136 -19.864 1.382 1.00 87.85 C +HETATM 150 CD HYP A 24 -0.996 -18.596 1.697 1.00 92.49 C +HETATM 151 OD1 HYP A 24 0.617 -20.224 2.498 1.00 89.47 O +HETATM 152 OXT HYP A 24 1.648 -17.386 -1.824 1.00 90.43 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_504.txt b/protein_pdb_504.txt new file mode 100644 index 0000000000000000000000000000000000000000..11000e41dec1e1fc0b6256837f637a2afaf6dce2 --- /dev/null +++ b/protein_pdb_504.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 0.885 15.526 -2.446 1.00 95.70 N +ATOM 2 CA GLY A 1 0.799 14.715 -1.283 1.00 95.72 C +ATOM 3 C GLY A 1 1.868 13.643 -1.245 1.00 96.01 C +ATOM 4 O GLY A 1 2.479 13.322 -2.257 1.00 95.11 O +ATOM 5 N PRO A 2 2.088 13.087 -0.107 1.00 95.50 N +ATOM 6 CA PRO A 2 3.084 12.044 0.042 1.00 95.58 C +ATOM 7 C PRO A 2 2.580 10.714 -0.492 1.00 95.64 C +ATOM 8 O PRO A 2 1.397 10.554 -0.772 1.00 94.62 O +ATOM 9 CB PRO A 2 3.302 12.002 1.549 1.00 93.73 C +ATOM 10 CG PRO A 2 1.967 12.365 2.083 1.00 90.84 C +ATOM 11 CD PRO A 2 1.460 13.434 1.155 1.00 93.58 C +HETATM 12 N HYP A 3 3.515 9.784 -0.645 1.00 94.58 N +HETATM 13 CA HYP A 3 3.111 8.444 -1.070 1.00 94.38 C +HETATM 14 C HYP A 3 2.117 7.831 -0.121 1.00 95.37 C +HETATM 15 O HYP A 3 2.162 8.126 1.085 1.00 96.03 O +HETATM 16 CB HYP A 3 4.442 7.647 -1.015 1.00 92.49 C +HETATM 17 CG HYP A 3 5.494 8.679 -1.283 1.00 90.53 C +HETATM 18 CD HYP A 3 4.932 9.915 -0.531 1.00 92.74 C +HETATM 19 OD1 HYP A 3 5.523 8.908 -2.658 1.00 92.22 O +ATOM 20 N GLY A 4 1.242 7.044 -0.669 1.00 95.52 N +ATOM 21 CA GLY A 4 0.269 6.360 0.137 1.00 94.98 C +ATOM 22 C GLY A 4 0.940 5.291 0.974 1.00 95.30 C +ATOM 23 O GLY A 4 2.106 4.947 0.759 1.00 95.57 O +ATOM 24 N PRO A 5 0.220 4.753 1.953 1.00 95.11 N +ATOM 25 CA PRO A 5 0.788 3.715 2.808 1.00 95.08 C +ATOM 26 C PRO A 5 0.935 2.406 2.054 1.00 94.83 C +ATOM 27 O PRO A 5 0.332 2.203 1.004 1.00 94.07 O +ATOM 28 CB PRO A 5 -0.223 3.605 3.938 1.00 93.64 C +ATOM 29 CG PRO A 5 -1.505 3.959 3.280 1.00 91.87 C +ATOM 30 CD PRO A 5 -1.153 5.060 2.323 1.00 94.27 C +HETATM 31 N HYP A 6 1.776 1.531 2.611 1.00 94.65 N +HETATM 32 CA HYP A 6 1.893 0.212 2.030 1.00 95.59 C +HETATM 33 C HYP A 6 0.586 -0.523 2.017 1.00 95.59 C +HETATM 34 O HYP A 6 -0.253 -0.312 2.925 1.00 95.29 O +HETATM 35 CB HYP A 6 2.874 -0.502 2.999 1.00 92.05 C +HETATM 36 CG HYP A 6 3.679 0.623 3.569 1.00 91.28 C +HETATM 37 CD HYP A 6 2.645 1.717 3.715 1.00 92.94 C +HETATM 38 OD1 HYP A 6 4.657 1.015 2.650 1.00 91.35 O +ATOM 39 N GLY A 7 0.385 -1.304 1.015 1.00 95.11 N +ATOM 40 CA GLY A 7 -0.811 -2.087 0.912 1.00 94.89 C +ATOM 41 C GLY A 7 -0.832 -3.139 1.998 1.00 95.62 C +ATOM 42 O GLY A 7 0.170 -3.398 2.656 1.00 95.56 O +ATOM 43 N PRO A 8 -1.976 -3.766 2.203 1.00 94.52 N +ATOM 44 CA PRO A 8 -2.078 -4.799 3.221 1.00 94.56 C +ATOM 45 C PRO A 8 -1.377 -6.070 2.778 1.00 94.64 C +ATOM 46 O PRO A 8 -1.065 -6.250 1.604 1.00 93.91 O +ATOM 47 CB PRO A 8 -3.579 -5.008 3.362 1.00 93.26 C +ATOM 48 CG PRO A 8 -4.090 -4.692 2.008 1.00 91.51 C +ATOM 49 CD PRO A 8 -3.240 -3.535 1.533 1.00 93.32 C +HETATM 50 N HYP A 9 -1.111 -6.968 3.763 1.00 94.67 N +HETATM 51 CA HYP A 9 -0.547 -8.218 3.417 1.00 93.78 C +HETATM 52 C HYP A 9 -1.415 -9.018 2.525 1.00 95.27 C +HETATM 53 O HYP A 9 -2.643 -8.999 2.645 1.00 94.29 O +HETATM 54 CB HYP A 9 -0.435 -8.952 4.788 1.00 91.32 C +HETATM 55 CG HYP A 9 -0.339 -7.876 5.770 1.00 91.04 C +HETATM 56 CD HYP A 9 -1.211 -6.785 5.217 1.00 93.26 C +HETATM 57 OD1 HYP A 9 0.992 -7.423 5.815 1.00 90.35 O +ATOM 58 N GLY A 10 -0.858 -9.727 1.562 1.00 94.09 N +ATOM 59 CA GLY A 10 -1.602 -10.648 0.741 1.00 93.08 C +ATOM 60 C GLY A 10 -1.889 -11.890 1.553 1.00 93.41 C +ATOM 61 O GLY A 10 -1.464 -12.019 2.700 1.00 92.37 O +ATOM 62 N TRP A 11 -2.596 -12.829 0.951 1.00 93.21 N +ATOM 63 CA TRP A 11 -2.879 -14.067 1.671 1.00 92.94 C +ATOM 64 C TRP A 11 -1.607 -14.771 2.101 1.00 92.47 C +ATOM 65 O TRP A 11 -1.558 -15.378 3.166 1.00 91.72 O +ATOM 66 CB TRP A 11 -3.698 -15.012 0.799 1.00 92.36 C +ATOM 67 CG TRP A 11 -5.121 -14.589 0.647 1.00 87.64 C +ATOM 68 CD1 TRP A 11 -5.822 -13.726 1.420 1.00 87.48 C +ATOM 69 CD2 TRP A 11 -6.050 -15.054 -0.355 1.00 87.92 C +ATOM 70 NE1 TRP A 11 -7.104 -13.613 0.985 1.00 82.28 N +ATOM 71 CE2 TRP A 11 -7.275 -14.410 -0.103 1.00 86.23 C +ATOM 72 CE3 TRP A 11 -5.942 -15.937 -1.421 1.00 84.19 C +ATOM 73 CZ2 TRP A 11 -8.400 -14.644 -0.894 1.00 88.70 C +ATOM 74 CZ3 TRP A 11 -7.064 -16.162 -2.213 1.00 81.98 C +ATOM 75 CH2 TRP A 11 -8.267 -15.522 -1.945 1.00 81.39 C +ATOM 76 N CYS A 12 -0.576 -14.691 1.282 1.00 93.55 N +ATOM 77 CA CYS A 12 0.707 -15.298 1.610 1.00 94.61 C +ATOM 78 C CYS A 12 1.828 -14.490 0.977 1.00 95.22 C +ATOM 79 O CYS A 12 2.754 -15.039 0.392 1.00 93.07 O +ATOM 80 CB CYS A 12 0.743 -16.761 1.154 1.00 92.51 C +ATOM 81 SG CYS A 12 0.186 -17.005 -0.531 1.00 86.73 S +ATOM 82 N GLY A 13 1.742 -13.186 1.099 1.00 95.59 N +ATOM 83 CA GLY A 13 2.727 -12.312 0.516 1.00 95.34 C +ATOM 84 C GLY A 13 2.950 -11.086 1.373 1.00 96.03 C +ATOM 85 O GLY A 13 2.221 -10.846 2.331 1.00 96.08 O +ATOM 86 N PRO A 14 3.964 -10.312 1.040 1.00 96.22 N +ATOM 87 CA PRO A 14 4.290 -9.123 1.803 1.00 96.07 C +ATOM 88 C PRO A 14 3.283 -8.013 1.566 1.00 96.11 C +ATOM 89 O PRO A 14 2.418 -8.112 0.703 1.00 95.59 O +ATOM 90 CB PRO A 14 5.670 -8.742 1.282 1.00 95.20 C +ATOM 91 CG PRO A 14 5.634 -9.197 -0.133 1.00 93.40 C +ATOM 92 CD PRO A 14 4.870 -10.495 -0.090 1.00 94.90 C +HETATM 93 N HYP A 15 3.419 -6.960 2.358 1.00 96.19 N +HETATM 94 CA HYP A 15 2.586 -5.820 2.124 1.00 96.57 C +HETATM 95 C HYP A 15 2.709 -5.290 0.734 1.00 97.28 C +HETATM 96 O HYP A 15 3.805 -5.419 0.127 1.00 95.76 O +HETATM 97 CB HYP A 15 3.109 -4.807 3.163 1.00 94.04 C +HETATM 98 CG HYP A 15 3.613 -5.683 4.276 1.00 92.54 C +HETATM 99 CD HYP A 15 4.240 -6.835 3.528 1.00 94.75 C +HETATM 100 OD1 HYP A 15 2.541 -6.119 5.050 1.00 92.37 O +ATOM 101 N GLY A 16 1.659 -4.751 0.214 1.00 96.40 N +ATOM 102 CA GLY A 16 1.687 -4.176 -1.095 1.00 96.15 C +ATOM 103 C GLY A 16 2.587 -2.965 -1.125 1.00 96.41 C +ATOM 104 O GLY A 16 3.014 -2.463 -0.081 1.00 96.14 O +ATOM 105 N PRO A 17 2.885 -2.474 -2.312 1.00 95.24 N +ATOM 106 CA PRO A 17 3.750 -1.306 -2.430 1.00 94.99 C +ATOM 107 C PRO A 17 3.053 -0.051 -1.951 1.00 95.23 C +ATOM 108 O PRO A 17 1.829 -0.008 -1.837 1.00 94.48 O +ATOM 109 CB PRO A 17 4.059 -1.258 -3.924 1.00 93.93 C +ATOM 110 CG PRO A 17 2.855 -1.856 -4.543 1.00 91.92 C +ATOM 111 CD PRO A 17 2.458 -2.970 -3.612 1.00 93.83 C +HETATM 112 N HYP A 18 3.854 0.975 -1.655 1.00 94.37 N +HETATM 113 CA HYP A 18 3.288 2.214 -1.305 1.00 92.98 C +HETATM 114 C HYP A 18 2.440 2.799 -2.410 1.00 94.66 C +HETATM 115 O HYP A 18 2.687 2.532 -3.604 1.00 94.06 O +HETATM 116 CB HYP A 18 4.553 3.114 -1.152 1.00 90.51 C +HETATM 117 CG HYP A 18 5.632 2.153 -0.762 1.00 89.52 C +HETATM 118 CD HYP A 18 5.279 0.930 -1.596 1.00 93.16 C +HETATM 119 OD1 HYP A 18 5.513 1.839 0.608 1.00 89.61 O +ATOM 120 N GLY A 19 1.431 3.512 -2.031 1.00 94.12 N +ATOM 121 CA GLY A 19 0.587 4.142 -3.000 1.00 94.15 C +ATOM 122 C GLY A 19 1.343 5.251 -3.705 1.00 94.41 C +ATOM 123 O GLY A 19 2.422 5.656 -3.277 1.00 94.85 O +ATOM 124 N PRO A 20 0.788 5.753 -4.793 1.00 93.30 N +ATOM 125 CA PRO A 20 1.439 6.822 -5.529 1.00 93.46 C +ATOM 126 C PRO A 20 1.363 8.137 -4.771 1.00 93.32 C +ATOM 127 O PRO A 20 0.569 8.291 -3.856 1.00 93.27 O +ATOM 128 CB PRO A 20 0.654 6.878 -6.835 1.00 91.73 C +ATOM 129 CG PRO A 20 -0.706 6.438 -6.424 1.00 88.74 C +ATOM 130 CD PRO A 20 -0.467 5.357 -5.407 1.00 91.46 C +HETATM 131 N HYP A 21 2.258 9.075 -5.160 1.00 94.16 N +HETATM 132 CA HYP A 21 2.178 10.369 -4.565 1.00 93.69 C +HETATM 133 C HYP A 21 0.858 11.053 -4.785 1.00 93.77 C +HETATM 134 O HYP A 21 0.243 10.853 -5.826 1.00 94.54 O +HETATM 135 CB HYP A 21 3.274 11.183 -5.306 1.00 90.83 C +HETATM 136 CG HYP A 21 4.264 10.164 -5.737 1.00 89.49 C +HETATM 137 CD HYP A 21 3.403 8.958 -6.073 1.00 92.84 C +HETATM 138 OD1 HYP A 21 5.099 9.853 -4.633 1.00 88.81 O +ATOM 139 N GLY A 22 0.398 11.758 -3.804 1.00 94.04 N +ATOM 140 CA GLY A 22 -0.826 12.493 -3.928 1.00 92.77 C +ATOM 141 C GLY A 22 -0.598 13.712 -4.802 1.00 92.92 C +ATOM 142 O GLY A 22 0.543 14.060 -5.109 1.00 92.96 O +ATOM 143 N PRO A 23 -1.663 14.416 -5.197 1.00 95.60 N +ATOM 144 CA PRO A 23 -1.513 15.612 -6.007 1.00 95.09 C +ATOM 145 C PRO A 23 -1.022 16.762 -5.147 1.00 94.32 C +ATOM 146 O PRO A 23 -1.775 17.321 -4.360 1.00 92.01 O +ATOM 147 CB PRO A 23 -2.922 15.848 -6.539 1.00 92.55 C +ATOM 148 CG PRO A 23 -3.788 15.290 -5.476 1.00 89.85 C +ATOM 149 CD PRO A 23 -3.047 14.079 -4.947 1.00 93.83 C +HETATM 150 N HYP A 24 0.217 17.025 -5.152 1.00 96.69 N +HETATM 151 CA HYP A 24 1.171 17.600 -4.107 1.00 93.42 C +HETATM 152 C HYP A 24 1.405 16.955 -2.921 1.00 96.68 C +HETATM 153 O HYP A 24 1.472 17.590 -1.764 1.00 95.29 O +HETATM 154 CB HYP A 24 1.744 18.782 -4.626 1.00 92.76 C +HETATM 155 CG HYP A 24 0.823 19.216 -5.779 1.00 92.69 C +HETATM 156 CD HYP A 24 0.023 17.934 -6.142 1.00 95.34 C +HETATM 157 OD1 HYP A 24 1.543 19.664 -6.898 1.00 92.52 O +HETATM 158 OXT HYP A 24 2.642 16.459 -2.710 1.00 90.96 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_505.txt b/protein_pdb_505.txt new file mode 100644 index 0000000000000000000000000000000000000000..27e30885aa265652a171ff6e6e519bde18a55072 --- /dev/null +++ b/protein_pdb_505.txt @@ -0,0 +1,172 @@ +ATOM 1 N GLY A 1 -26.249 14.143 20.762 1.00 88.82 N +ATOM 2 CA GLY A 1 -25.432 15.066 19.981 1.00 91.04 C +ATOM 3 C GLY A 1 -25.300 14.626 18.545 1.00 90.84 C +ATOM 4 O GLY A 1 -25.664 13.498 18.210 1.00 89.35 O +ATOM 5 N PRO A 2 -24.771 15.481 17.672 1.00 94.74 N +ATOM 6 CA PRO A 2 -24.608 15.129 16.264 1.00 95.26 C +ATOM 7 C PRO A 2 -23.524 14.075 16.072 1.00 95.22 C +ATOM 8 O PRO A 2 -22.663 13.897 16.925 1.00 94.74 O +ATOM 9 CB PRO A 2 -24.229 16.454 15.601 1.00 93.67 C +ATOM 10 CG PRO A 2 -23.510 17.181 16.692 1.00 91.18 C +ATOM 11 CD PRO A 2 -24.289 16.830 17.939 1.00 93.39 C +HETATM 12 N HYP A 3 -23.615 13.398 15.021 1.00 92.18 N +HETATM 13 CA HYP A 3 -22.565 12.394 14.631 1.00 91.79 C +HETATM 14 C HYP A 3 -21.188 13.056 14.534 1.00 84.77 C +HETATM 15 O HYP A 3 -21.078 14.243 14.137 1.00 92.48 O +HETATM 16 CB HYP A 3 -23.043 11.853 13.297 1.00 88.28 C +HETATM 17 CG HYP A 3 -24.561 12.115 13.284 1.00 89.28 C +HETATM 18 CD HYP A 3 -24.694 13.436 14.023 1.00 91.92 C +HETATM 19 OD1 HYP A 3 -25.286 11.129 13.958 1.00 92.55 O +ATOM 20 N GLY A 4 -20.147 12.286 14.897 1.00 93.72 N +ATOM 21 CA GLY A 4 -18.799 12.797 14.827 1.00 92.46 C +ATOM 22 C GLY A 4 -18.338 12.940 13.385 1.00 92.22 C +ATOM 23 O GLY A 4 -19.004 12.456 12.461 1.00 92.85 O +ATOM 24 N PRO A 5 -17.192 13.595 13.174 1.00 95.30 N +ATOM 25 CA PRO A 5 -16.668 13.789 11.824 1.00 94.77 C +ATOM 26 C PRO A 5 -16.188 12.475 11.215 1.00 94.61 C +ATOM 27 O PRO A 5 -15.890 11.521 11.937 1.00 94.46 O +ATOM 28 CB PRO A 5 -15.525 14.776 12.029 1.00 93.59 C +ATOM 29 CG PRO A 5 -15.046 14.462 13.404 1.00 91.61 C +ATOM 30 CD PRO A 5 -16.311 14.178 14.178 1.00 93.72 C +HETATM 31 N HYP A 6 -16.117 12.445 9.917 1.00 92.15 N +HETATM 32 CA HYP A 6 -15.538 11.258 9.225 1.00 94.16 C +HETATM 33 C HYP A 6 -14.118 10.973 9.652 1.00 86.88 C +HETATM 34 O HYP A 6 -13.369 11.933 9.959 1.00 93.29 O +HETATM 35 CB HYP A 6 -15.637 11.665 7.710 1.00 88.95 C +HETATM 36 CG HYP A 6 -16.813 12.651 7.659 1.00 89.30 C +HETATM 37 CD HYP A 6 -16.661 13.420 8.970 1.00 90.91 C +HETATM 38 OD1 HYP A 6 -18.047 11.986 7.614 1.00 91.53 O +ATOM 39 N GLY A 7 -13.750 9.679 9.702 1.00 94.00 N +ATOM 40 CA GLY A 7 -12.414 9.303 10.097 1.00 92.88 C +ATOM 41 C GLY A 7 -11.399 9.706 9.047 1.00 92.94 C +ATOM 42 O GLY A 7 -11.758 10.137 7.943 1.00 93.53 O +ATOM 43 N PRO A 8 -10.099 9.572 9.374 1.00 92.54 N +ATOM 44 CA PRO A 8 -9.049 9.931 8.436 1.00 92.47 C +ATOM 45 C PRO A 8 -8.997 8.970 7.256 1.00 91.83 C +ATOM 46 O PRO A 8 -9.443 7.830 7.357 1.00 91.53 O +ATOM 47 CB PRO A 8 -7.782 9.859 9.284 1.00 91.24 C +ATOM 48 CG PRO A 8 -8.122 8.809 10.295 1.00 90.65 C +ATOM 49 CD PRO A 8 -9.568 9.066 10.623 1.00 92.45 C +HETATM 50 N HYP A 9 -8.448 9.386 6.167 1.00 91.98 N +HETATM 51 CA HYP A 9 -8.272 8.544 4.986 1.00 90.85 C +HETATM 52 C HYP A 9 -7.412 7.328 5.279 1.00 85.49 C +HETATM 53 O HYP A 9 -6.488 7.436 6.117 1.00 88.93 O +HETATM 54 CB HYP A 9 -7.516 9.496 3.964 1.00 87.23 C +HETATM 55 CG HYP A 9 -7.912 10.896 4.412 1.00 88.58 C +HETATM 56 CD HYP A 9 -8.034 10.761 5.936 1.00 89.73 C +HETATM 57 OD1 HYP A 9 -9.161 11.244 3.872 1.00 86.72 O +ATOM 58 N GLY A 10 -7.657 6.241 4.587 1.00 93.21 N +ATOM 59 CA GLY A 10 -6.859 5.057 4.761 1.00 91.16 C +ATOM 60 C GLY A 10 -5.423 5.306 4.334 1.00 90.45 C +ATOM 61 O GLY A 10 -5.125 6.233 3.582 1.00 90.42 O +ATOM 62 N ARG A 11 -4.519 4.452 4.833 1.00 91.67 N +ATOM 63 CA ARG A 11 -3.105 4.570 4.493 1.00 91.04 C +ATOM 64 C ARG A 11 -2.886 4.234 3.018 1.00 90.36 C +ATOM 65 O ARG A 11 -3.543 3.356 2.469 1.00 90.30 O +ATOM 66 CB ARG A 11 -2.275 3.632 5.359 1.00 88.94 C +ATOM 67 CG ARG A 11 -2.290 3.976 6.833 1.00 81.87 C +ATOM 68 CD ARG A 11 -1.524 2.939 7.632 1.00 79.21 C +ATOM 69 NE ARG A 11 -0.130 2.867 7.231 1.00 75.29 N +ATOM 70 CZ ARG A 11 0.701 1.891 7.557 1.00 70.85 C +ATOM 71 NH1 ARG A 11 0.294 0.880 8.291 1.00 68.20 N +ATOM 72 NH2 ARG A 11 1.964 1.908 7.137 1.00 65.23 N +ATOM 73 N LYS A 12 -1.932 4.929 2.392 1.00 91.03 N +ATOM 74 CA LYS A 12 -1.587 4.635 1.008 1.00 91.02 C +ATOM 75 C LYS A 12 -0.940 3.251 0.953 1.00 91.49 C +ATOM 76 O LYS A 12 -0.204 2.867 1.862 1.00 89.93 O +ATOM 77 CB LYS A 12 -0.624 5.700 0.466 1.00 88.18 C +ATOM 78 CG LYS A 12 -0.292 5.542 -1.014 1.00 82.42 C +ATOM 79 CD LYS A 12 0.545 6.686 -1.529 1.00 80.09 C +ATOM 80 CE LYS A 12 0.830 6.547 -3.015 1.00 73.63 C +ATOM 81 NZ LYS A 12 1.618 7.691 -3.534 1.00 69.74 N +ATOM 82 N GLY A 13 -1.255 2.509 -0.111 1.00 91.96 N +ATOM 83 CA GLY A 13 -0.700 1.177 -0.251 1.00 89.85 C +ATOM 84 C GLY A 13 0.808 1.182 -0.368 1.00 90.39 C +ATOM 85 O GLY A 13 1.405 2.142 -0.857 1.00 90.36 O +ATOM 86 N ARG A 14 1.438 0.094 0.106 1.00 93.49 N +ATOM 87 CA ARG A 14 2.879 -0.052 0.025 1.00 94.15 C +ATOM 88 C ARG A 14 3.295 -0.300 -1.413 1.00 94.99 C +ATOM 89 O ARG A 14 2.545 -0.888 -2.181 1.00 94.88 O +ATOM 90 CB ARG A 14 3.341 -1.226 0.886 1.00 91.61 C +ATOM 91 CG ARG A 14 3.080 -1.036 2.362 1.00 82.59 C +ATOM 92 CD ARG A 14 3.500 -2.256 3.159 1.00 80.78 C +ATOM 93 NE ARG A 14 4.942 -2.502 3.126 1.00 74.99 N +ATOM 94 CZ ARG A 14 5.549 -3.428 2.395 1.00 72.76 C +ATOM 95 NH1 ARG A 14 4.850 -4.229 1.595 1.00 69.43 N +ATOM 96 NH2 ARG A 14 6.859 -3.560 2.441 1.00 66.97 N +HETATM 97 N HYP A 15 4.500 0.132 -1.790 1.00 88.07 N +HETATM 98 CA HYP A 15 5.034 -0.176 -3.129 1.00 90.32 C +HETATM 99 C HYP A 15 5.139 -1.697 -3.375 1.00 89.51 C +HETATM 100 O HYP A 15 5.343 -2.439 -2.393 1.00 89.73 O +HETATM 101 CB HYP A 15 6.420 0.470 -3.118 1.00 87.81 C +HETATM 102 CG HYP A 15 6.280 1.572 -2.074 1.00 81.70 C +HETATM 103 CD HYP A 15 5.384 0.991 -1.043 1.00 88.02 C +HETATM 104 OD1 HYP A 15 5.697 2.720 -2.618 1.00 87.48 O +ATOM 105 N GLY A 16 4.993 -2.106 -4.577 1.00 94.91 N +ATOM 106 CA GLY A 16 5.123 -3.501 -4.893 1.00 93.17 C +ATOM 107 C GLY A 16 6.563 -3.966 -4.724 1.00 93.72 C +ATOM 108 O GLY A 16 7.472 -3.153 -4.564 1.00 94.72 O +ATOM 109 N PRO A 17 6.782 -5.295 -4.757 1.00 95.14 N +ATOM 110 CA PRO A 17 8.129 -5.832 -4.597 1.00 95.26 C +ATOM 111 C PRO A 17 8.986 -5.530 -5.818 1.00 95.14 C +ATOM 112 O PRO A 17 8.474 -5.321 -6.911 1.00 94.42 O +ATOM 113 CB PRO A 17 7.891 -7.329 -4.428 1.00 93.94 C +ATOM 114 CG PRO A 17 6.645 -7.572 -5.206 1.00 91.68 C +ATOM 115 CD PRO A 17 5.791 -6.354 -4.927 1.00 93.57 C +HETATM 116 N HYP A 18 10.288 -5.529 -5.651 1.00 92.76 N +HETATM 117 CA HYP A 18 11.220 -5.353 -6.759 1.00 93.28 C +HETATM 118 C HYP A 18 11.038 -6.429 -7.831 1.00 90.85 C +HETATM 119 O HYP A 18 10.683 -7.577 -7.503 1.00 93.39 O +HETATM 120 CB HYP A 18 12.584 -5.482 -6.073 1.00 90.29 C +HETATM 121 CG HYP A 18 12.344 -5.043 -4.654 1.00 87.23 C +HETATM 122 CD HYP A 18 10.960 -5.575 -4.364 1.00 91.40 C +HETATM 123 OD1 HYP A 18 12.348 -3.637 -4.518 1.00 92.07 O +ATOM 124 N GLY A 19 11.261 -6.063 -9.067 1.00 94.41 N +ATOM 125 CA GLY A 19 11.169 -7.010 -10.152 1.00 92.56 C +ATOM 126 C GLY A 19 12.296 -8.027 -10.076 1.00 92.33 C +ATOM 127 O GLY A 19 13.243 -7.861 -9.308 1.00 92.72 O +ATOM 128 N PRO A 20 12.212 -9.091 -10.879 1.00 95.40 N +ATOM 129 CA PRO A 20 13.235 -10.127 -10.869 1.00 94.89 C +ATOM 130 C PRO A 20 14.535 -9.630 -11.484 1.00 94.94 C +ATOM 131 O PRO A 20 14.543 -8.679 -12.257 1.00 93.69 O +ATOM 132 CB PRO A 20 12.604 -11.244 -11.697 1.00 92.91 C +ATOM 133 CG PRO A 20 11.729 -10.506 -12.648 1.00 89.50 C +ATOM 134 CD PRO A 20 11.144 -9.385 -11.822 1.00 92.77 C +HETATM 135 N HYP A 21 15.641 -10.268 -11.145 1.00 92.87 N +HETATM 136 CA HYP A 21 16.924 -9.955 -11.763 1.00 91.97 C +HETATM 137 C HYP A 21 16.901 -10.094 -13.268 1.00 90.67 C +HETATM 138 O HYP A 21 16.128 -10.921 -13.797 1.00 94.59 O +HETATM 139 CB HYP A 21 17.838 -11.053 -11.123 1.00 90.14 C +HETATM 140 CG HYP A 21 17.219 -11.417 -9.812 1.00 89.07 C +HETATM 141 CD HYP A 21 15.743 -11.311 -10.118 1.00 91.96 C +HETATM 142 OD1 HYP A 21 17.532 -10.475 -8.789 1.00 91.93 O +ATOM 143 N GLY A 22 17.716 -9.342 -13.997 1.00 92.73 N +ATOM 144 CA GLY A 22 17.794 -9.445 -15.423 1.00 92.07 C +ATOM 145 C GLY A 22 18.347 -10.803 -15.841 1.00 92.43 C +ATOM 146 O GLY A 22 18.840 -11.560 -15.004 1.00 93.61 O +ATOM 147 N PRO A 23 18.287 -11.123 -17.136 1.00 95.14 N +ATOM 148 CA PRO A 23 18.775 -12.408 -17.620 1.00 95.08 C +ATOM 149 C PRO A 23 20.286 -12.515 -17.485 1.00 95.13 C +ATOM 150 O PRO A 23 20.993 -11.515 -17.499 1.00 94.67 O +ATOM 151 CB PRO A 23 18.326 -12.436 -19.074 1.00 92.86 C +ATOM 152 CG PRO A 23 18.277 -10.996 -19.445 1.00 89.79 C +ATOM 153 CD PRO A 23 17.743 -10.309 -18.211 1.00 92.02 C +HETATM 154 N HYP A 24 20.810 -13.752 -17.381 1.00 89.48 N +HETATM 155 CA HYP A 24 22.225 -13.957 -17.301 1.00 91.37 C +HETATM 156 C HYP A 24 22.955 -13.414 -18.476 1.00 88.68 C +HETATM 157 O HYP A 24 22.392 -13.327 -19.570 1.00 93.49 O +HETATM 158 CB HYP A 24 22.332 -15.522 -17.201 1.00 90.49 C +HETATM 159 CG HYP A 24 21.051 -15.999 -16.631 1.00 88.94 C +HETATM 160 CD HYP A 24 20.041 -15.006 -17.192 1.00 90.02 C +HETATM 161 OD1 HYP A 24 21.051 -15.906 -15.220 1.00 92.09 O +ATOM 162 N GLY A 25 24.224 -13.072 -18.304 1.00 92.76 N +ATOM 163 CA GLY A 25 25.032 -12.486 -19.346 1.00 91.37 C +ATOM 164 C GLY A 25 25.238 -13.388 -20.552 1.00 90.58 C +ATOM 165 O GLY A 25 25.678 -12.908 -21.592 1.00 88.13 O +ATOM 166 N GLY A 26 24.958 -14.681 -20.429 1.00 85.82 N +ATOM 167 CA GLY A 26 25.090 -15.602 -21.534 1.00 80.24 C +ATOM 168 C GLY A 26 25.852 -16.854 -21.162 1.00 76.51 C +ATOM 169 O GLY A 26 26.428 -16.916 -20.071 1.00 72.42 O +ATOM 170 OXT GLY A 26 25.868 -17.822 -21.982 1.00 71.24 O +TER 171 GLY A 26 +END diff --git a/protein_pdb_506.txt b/protein_pdb_506.txt new file mode 100644 index 0000000000000000000000000000000000000000..e8dcf7754dda4fc6f9bac7ce8c7d37dbfc13ac92 --- /dev/null +++ b/protein_pdb_506.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -3.456 15.354 0.539 1.00 85.94 N +ATOM 2 CA GLY A 1 -4.281 14.338 -0.034 1.00 85.63 C +ATOM 3 C GLY A 1 -4.649 13.222 0.919 1.00 87.03 C +ATOM 4 O GLY A 1 -4.116 13.146 2.031 1.00 85.16 O +ATOM 5 N PRO A 2 -5.517 12.363 0.512 1.00 85.24 N +ATOM 6 CA PRO A 2 -5.987 11.265 1.344 1.00 85.78 C +ATOM 7 C PRO A 2 -4.971 10.141 1.429 1.00 86.23 C +ATOM 8 O PRO A 2 -4.033 10.066 0.645 1.00 83.42 O +ATOM 9 CB PRO A 2 -7.258 10.822 0.626 1.00 81.83 C +ATOM 10 CG PRO A 2 -6.981 11.123 -0.797 1.00 78.47 C +ATOM 11 CD PRO A 2 -6.180 12.399 -0.787 1.00 81.20 C +HETATM 12 N HYP A 3 -5.218 9.235 2.405 1.00 81.27 N +HETATM 13 CA HYP A 3 -4.365 8.066 2.514 1.00 89.06 C +HETATM 14 C HYP A 3 -4.463 7.186 1.265 1.00 86.08 C +HETATM 15 O HYP A 3 -5.519 7.156 0.606 1.00 87.97 O +HETATM 16 CB HYP A 3 -5.015 7.347 3.728 1.00 85.56 C +HETATM 17 CG HYP A 3 -5.622 8.460 4.531 1.00 82.38 C +HETATM 18 CD HYP A 3 -6.131 9.415 3.436 1.00 82.82 C +HETATM 19 OD1 HYP A 3 -4.626 9.088 5.280 1.00 84.77 O +ATOM 20 N GLY A 4 -3.368 6.562 0.941 1.00 87.80 N +ATOM 21 CA GLY A 4 -3.346 5.663 -0.176 1.00 86.65 C +ATOM 22 C GLY A 4 -4.162 4.413 0.113 1.00 87.41 C +ATOM 23 O GLY A 4 -4.593 4.179 1.243 1.00 86.66 O +ATOM 24 N PRO A 5 -4.377 3.587 -0.911 1.00 87.34 N +ATOM 25 CA PRO A 5 -5.159 2.371 -0.740 1.00 86.96 C +ATOM 26 C PRO A 5 -4.394 1.319 0.047 1.00 87.14 C +ATOM 27 O PRO A 5 -3.180 1.395 0.194 1.00 84.75 O +ATOM 28 CB PRO A 5 -5.413 1.918 -2.177 1.00 84.45 C +ATOM 29 CG PRO A 5 -4.236 2.431 -2.923 1.00 82.26 C +ATOM 30 CD PRO A 5 -3.894 3.743 -2.277 1.00 85.19 C +HETATM 31 N HYP A 6 -5.149 0.339 0.548 1.00 87.58 N +HETATM 32 CA HYP A 6 -4.505 -0.792 1.209 1.00 91.08 C +HETATM 33 C HYP A 6 -3.520 -1.501 0.315 1.00 88.07 C +HETATM 34 O HYP A 6 -3.749 -1.551 -0.922 1.00 91.13 O +HETATM 35 CB HYP A 6 -5.680 -1.695 1.554 1.00 86.55 C +HETATM 36 CG HYP A 6 -6.844 -0.758 1.663 1.00 86.15 C +HETATM 37 CD HYP A 6 -6.563 0.239 0.585 1.00 87.67 C +HETATM 38 OD1 HYP A 6 -6.843 -0.119 2.911 1.00 85.94 O +ATOM 39 N GLY A 7 -2.443 -1.942 0.865 1.00 90.42 N +ATOM 40 CA GLY A 7 -1.464 -2.665 0.106 1.00 89.35 C +ATOM 41 C GLY A 7 -2.004 -4.000 -0.356 1.00 90.00 C +ATOM 42 O GLY A 7 -3.048 -4.465 0.105 1.00 89.40 O +ATOM 43 N PRO A 8 -1.299 -4.629 -1.271 1.00 89.44 N +ATOM 44 CA PRO A 8 -1.746 -5.920 -1.778 1.00 89.15 C +ATOM 45 C PRO A 8 -1.589 -7.020 -0.741 1.00 89.22 C +ATOM 46 O PRO A 8 -0.789 -6.914 0.181 1.00 85.93 O +ATOM 47 CB PRO A 8 -0.849 -6.157 -2.994 1.00 86.26 C +ATOM 48 CG PRO A 8 0.386 -5.399 -2.677 1.00 85.06 C +ATOM 49 CD PRO A 8 -0.054 -4.189 -1.905 1.00 87.95 C +HETATM 50 N HYP A 9 -2.355 -8.123 -0.962 1.00 86.47 N +HETATM 51 CA HYP A 9 -2.269 -9.219 -0.073 1.00 86.57 C +HETATM 52 C HYP A 9 -0.889 -9.896 -0.168 1.00 85.28 C +HETATM 53 O HYP A 9 -0.288 -9.939 -1.240 1.00 86.68 O +HETATM 54 CB HYP A 9 -3.271 -10.226 -0.642 1.00 81.61 C +HETATM 55 CG HYP A 9 -4.208 -9.417 -1.443 1.00 79.24 C +HETATM 56 CD HYP A 9 -3.365 -8.289 -1.973 1.00 84.47 C +HETATM 57 OD1 HYP A 9 -5.194 -8.873 -0.599 1.00 79.69 O +ATOM 58 N GLY A 10 -0.334 -10.315 0.892 1.00 87.61 N +ATOM 59 CA GLY A 10 0.974 -10.926 0.886 1.00 85.15 C +ATOM 60 C GLY A 10 0.880 -12.401 1.215 1.00 85.49 C +ATOM 61 O GLY A 10 0.652 -12.767 2.355 1.00 82.38 O +ATOM 62 N HIS A 11 1.073 -13.225 0.240 1.00 82.63 N +ATOM 63 CA HIS A 11 1.089 -14.684 0.421 1.00 87.07 C +ATOM 64 C HIS A 11 -0.131 -15.181 1.190 1.00 89.17 C +ATOM 65 O HIS A 11 -0.024 -15.997 2.104 1.00 84.87 O +ATOM 66 CB HIS A 11 2.386 -15.099 1.131 1.00 83.55 C +ATOM 67 CG HIS A 11 3.615 -14.724 0.358 1.00 78.89 C +ATOM 68 ND1 HIS A 11 4.348 -13.609 0.637 1.00 74.26 N +ATOM 69 CD2 HIS A 11 4.213 -15.331 -0.682 1.00 69.10 C +ATOM 70 CE1 HIS A 11 5.362 -13.532 -0.223 1.00 72.59 C +ATOM 71 NE2 HIS A 11 5.308 -14.573 -1.028 1.00 71.04 N +ATOM 72 N GLY A 12 -1.302 -14.699 0.801 1.00 82.40 N +ATOM 73 CA GLY A 12 -2.547 -15.076 1.457 1.00 84.32 C +ATOM 74 C GLY A 12 -2.901 -14.226 2.650 1.00 86.52 C +ATOM 75 O GLY A 12 -3.988 -14.367 3.212 1.00 80.27 O +ATOM 76 N GLY A 13 -2.014 -13.344 3.046 1.00 88.70 N +ATOM 77 CA GLY A 13 -2.268 -12.476 4.174 1.00 86.94 C +ATOM 78 C GLY A 13 -3.218 -11.349 3.825 1.00 87.79 C +ATOM 79 O GLY A 13 -3.642 -11.207 2.675 1.00 86.42 O +ATOM 80 N PRO A 14 -3.574 -10.546 4.812 1.00 87.31 N +ATOM 81 CA PRO A 14 -4.516 -9.450 4.598 1.00 87.28 C +ATOM 82 C PRO A 14 -3.890 -8.323 3.789 1.00 88.01 C +ATOM 83 O PRO A 14 -2.674 -8.253 3.626 1.00 85.21 O +ATOM 84 CB PRO A 14 -4.852 -8.989 6.013 1.00 84.29 C +ATOM 85 CG PRO A 14 -3.633 -9.323 6.801 1.00 83.10 C +ATOM 86 CD PRO A 14 -3.110 -10.599 6.204 1.00 84.45 C +HETATM 87 N HYP A 15 -4.765 -7.470 3.278 1.00 83.96 N +HETATM 88 CA HYP A 15 -4.280 -6.278 2.639 1.00 87.58 C +HETATM 89 C HYP A 15 -3.360 -5.500 3.515 1.00 89.08 C +HETATM 90 O HYP A 15 -3.567 -5.508 4.758 1.00 89.26 O +HETATM 91 CB HYP A 15 -5.587 -5.535 2.319 1.00 82.20 C +HETATM 92 CG HYP A 15 -6.592 -6.631 2.156 1.00 79.15 C +HETATM 93 CD HYP A 15 -6.197 -7.608 3.219 1.00 84.31 C +HETATM 94 OD1 HYP A 15 -6.514 -7.192 0.890 1.00 84.25 O +ATOM 95 N GLY A 16 -2.407 -4.856 2.949 1.00 88.21 N +ATOM 96 CA GLY A 16 -1.514 -4.020 3.701 1.00 87.15 C +ATOM 97 C GLY A 16 -2.233 -2.798 4.235 1.00 87.93 C +ATOM 98 O GLY A 16 -3.389 -2.536 3.886 1.00 86.69 O +ATOM 99 N PRO A 17 -1.556 -2.039 5.078 1.00 89.00 N +ATOM 100 CA PRO A 17 -2.165 -0.839 5.637 1.00 88.68 C +ATOM 101 C PRO A 17 -2.346 0.244 4.583 1.00 89.52 C +ATOM 102 O PRO A 17 -1.725 0.204 3.528 1.00 87.39 O +ATOM 103 CB PRO A 17 -1.174 -0.409 6.724 1.00 86.36 C +ATOM 104 CG PRO A 17 0.124 -0.970 6.272 1.00 84.98 C +ATOM 105 CD PRO A 17 -0.197 -2.251 5.566 1.00 86.74 C +HETATM 106 N HYP A 18 -3.234 1.201 4.869 1.00 86.29 N +HETATM 107 CA HYP A 18 -3.386 2.315 4.007 1.00 88.98 C +HETATM 108 C HYP A 18 -2.113 3.037 3.751 1.00 86.35 C +HETATM 109 O HYP A 18 -1.241 3.080 4.656 1.00 90.42 O +HETATM 110 CB HYP A 18 -4.405 3.173 4.761 1.00 84.81 C +HETATM 111 CG HYP A 18 -5.188 2.175 5.572 1.00 84.95 C +HETATM 112 CD HYP A 18 -4.131 1.196 5.980 1.00 88.04 C +HETATM 113 OD1 HYP A 18 -6.154 1.558 4.765 1.00 86.90 O +ATOM 114 N GLY A 19 -1.948 3.533 2.574 1.00 87.00 N +ATOM 115 CA GLY A 19 -0.775 4.290 2.228 1.00 86.19 C +ATOM 116 C GLY A 19 -0.717 5.593 3.007 1.00 86.81 C +ATOM 117 O GLY A 19 -1.668 5.971 3.688 1.00 86.31 O +ATOM 118 N PRO A 20 0.397 6.281 2.908 1.00 85.61 N +ATOM 119 CA PRO A 20 0.562 7.529 3.631 1.00 85.35 C +ATOM 120 C PRO A 20 -0.303 8.639 3.047 1.00 85.31 C +ATOM 121 O PRO A 20 -0.721 8.574 1.897 1.00 83.33 O +ATOM 122 CB PRO A 20 2.048 7.838 3.468 1.00 82.11 C +ATOM 123 CG PRO A 20 2.406 7.191 2.173 1.00 79.33 C +ATOM 124 CD PRO A 20 1.576 5.941 2.118 1.00 82.19 C +HETATM 125 N HYP A 21 -0.571 9.644 3.865 1.00 88.76 N +HETATM 126 CA HYP A 21 -1.270 10.793 3.393 1.00 89.38 C +HETATM 127 C HYP A 21 -0.562 11.493 2.264 1.00 87.46 C +HETATM 128 O HYP A 21 0.687 11.575 2.295 1.00 91.15 O +HETATM 129 CB HYP A 21 -1.244 11.708 4.627 1.00 85.39 C +HETATM 130 CG HYP A 21 -1.100 10.781 5.786 1.00 84.85 C +HETATM 131 CD HYP A 21 -0.225 9.710 5.260 1.00 87.04 C +HETATM 132 OD1 HYP A 21 -2.355 10.214 6.132 1.00 86.63 O +ATOM 133 N GLY A 22 -1.278 11.887 1.285 1.00 88.71 N +ATOM 134 CA GLY A 22 -0.696 12.655 0.227 1.00 87.26 C +ATOM 135 C GLY A 22 -0.366 14.053 0.723 1.00 87.74 C +ATOM 136 O GLY A 22 -0.807 14.456 1.799 1.00 86.15 O +ATOM 137 N PRO A 23 0.381 14.812 -0.049 1.00 89.51 N +ATOM 138 CA PRO A 23 0.675 16.180 0.346 1.00 89.36 C +ATOM 139 C PRO A 23 -0.576 17.036 0.169 1.00 88.53 C +ATOM 140 O PRO A 23 -1.077 17.168 -0.945 1.00 85.07 O +ATOM 141 CB PRO A 23 1.798 16.594 -0.600 1.00 86.08 C +ATOM 142 CG PRO A 23 1.612 15.726 -1.791 1.00 83.56 C +ATOM 143 CD PRO A 23 1.021 14.438 -1.291 1.00 86.25 C +HETATM 144 N HYP A 24 -1.172 17.484 1.218 1.00 86.97 N +HETATM 145 CA HYP A 24 -2.560 17.916 1.159 1.00 84.32 C +HETATM 146 C HYP A 24 -3.491 17.042 0.509 1.00 87.19 C +HETATM 147 O HYP A 24 -4.797 17.225 0.617 1.00 83.29 O +HETATM 148 CB HYP A 24 -2.882 18.904 2.104 1.00 83.19 C +HETATM 149 CG HYP A 24 -1.511 19.387 2.574 1.00 83.07 C +HETATM 150 CD HYP A 24 -0.478 18.405 2.003 1.00 84.68 C +HETATM 151 OD1 HYP A 24 -1.398 19.366 3.974 1.00 85.26 O +HETATM 152 OXT HYP A 24 -3.381 17.082 -0.774 1.00 81.62 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_507.txt b/protein_pdb_507.txt new file mode 100644 index 0000000000000000000000000000000000000000..320663ce5c9c472716ed1c576c325f20fc00858a --- /dev/null +++ b/protein_pdb_507.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 14.431 1.879 4.220 1.00 92.84 N +ATOM 2 CA GLY A 1 13.680 2.543 3.186 1.00 93.54 C +ATOM 3 C GLY A 1 12.306 2.955 3.664 1.00 94.12 C +ATOM 4 O GLY A 1 11.876 2.556 4.736 1.00 92.46 O +ATOM 5 N PRO A 2 11.535 3.724 2.848 1.00 93.43 N +ATOM 6 CA PRO A 2 10.212 4.189 3.231 1.00 93.59 C +ATOM 7 C PRO A 2 9.174 3.095 3.098 1.00 93.91 C +ATOM 8 O PRO A 2 9.401 2.070 2.463 1.00 92.51 O +ATOM 9 CB PRO A 2 9.953 5.326 2.245 1.00 90.97 C +ATOM 10 CG PRO A 2 10.711 4.922 1.035 1.00 87.69 C +ATOM 11 CD PRO A 2 11.951 4.256 1.550 1.00 90.09 C +HETATM 12 N HYP A 3 8.034 3.351 3.717 1.00 94.05 N +HETATM 13 CA HYP A 3 6.931 2.406 3.568 1.00 92.45 C +HETATM 14 C HYP A 3 6.497 2.269 2.128 1.00 94.39 C +HETATM 15 O HYP A 3 6.596 3.243 1.353 1.00 94.87 O +HETATM 16 CB HYP A 3 5.776 3.129 4.367 1.00 92.14 C +HETATM 17 CG HYP A 3 6.483 4.007 5.369 1.00 89.13 C +HETATM 18 CD HYP A 3 7.734 4.479 4.574 1.00 92.31 C +HETATM 19 OD1 HYP A 3 6.890 3.229 6.452 1.00 90.68 O +ATOM 20 N GLY A 4 6.116 1.070 1.766 1.00 94.90 N +ATOM 21 CA GLY A 4 5.626 0.839 0.434 1.00 94.28 C +ATOM 22 C GLY A 4 4.300 1.542 0.209 1.00 94.51 C +ATOM 23 O GLY A 4 3.657 2.011 1.148 1.00 94.46 O +ATOM 24 N PRO A 5 3.882 1.622 -1.050 1.00 94.70 N +ATOM 25 CA PRO A 5 2.620 2.273 -1.363 1.00 94.26 C +ATOM 26 C PRO A 5 1.439 1.444 -0.885 1.00 94.34 C +ATOM 27 O PRO A 5 1.572 0.255 -0.613 1.00 93.32 O +ATOM 28 CB PRO A 5 2.647 2.374 -2.888 1.00 92.74 C +ATOM 29 CG PRO A 5 3.492 1.221 -3.301 1.00 91.29 C +ATOM 30 CD PRO A 5 4.535 1.092 -2.238 1.00 93.50 C +HETATM 31 N HYP A 6 0.281 2.115 -0.769 1.00 95.26 N +HETATM 32 CA HYP A 6 -0.900 1.388 -0.423 1.00 95.66 C +HETATM 33 C HYP A 6 -1.198 0.309 -1.416 1.00 95.89 C +HETATM 34 O HYP A 6 -0.887 0.460 -2.620 1.00 94.93 O +HETATM 35 CB HYP A 6 -1.999 2.499 -0.489 1.00 93.24 C +HETATM 36 CG HYP A 6 -1.260 3.772 -0.219 1.00 92.21 C +HETATM 37 CD HYP A 6 0.070 3.546 -0.949 1.00 93.87 C +HETATM 38 OD1 HYP A 6 -1.040 3.905 1.165 1.00 90.55 O +ATOM 39 N GLY A 7 -1.695 -0.802 -0.942 1.00 95.00 N +ATOM 40 CA GLY A 7 -2.085 -1.870 -1.816 1.00 94.66 C +ATOM 41 C GLY A 7 -3.196 -1.433 -2.744 1.00 95.22 C +ATOM 42 O GLY A 7 -3.835 -0.402 -2.538 1.00 95.18 O +ATOM 43 N PRO A 8 -3.429 -2.205 -3.783 1.00 95.80 N +ATOM 44 CA PRO A 8 -4.477 -1.850 -4.730 1.00 95.66 C +ATOM 45 C PRO A 8 -5.848 -2.015 -4.107 1.00 95.93 C +ATOM 46 O PRO A 8 -6.037 -2.768 -3.158 1.00 94.57 O +ATOM 47 CB PRO A 8 -4.261 -2.826 -5.876 1.00 94.07 C +ATOM 48 CG PRO A 8 -3.636 -4.006 -5.232 1.00 92.82 C +ATOM 49 CD PRO A 8 -2.768 -3.450 -4.141 1.00 94.84 C +HETATM 50 N HYP A 9 -6.790 -1.298 -4.667 1.00 95.15 N +HETATM 51 CA HYP A 9 -8.127 -1.420 -4.199 1.00 94.59 C +HETATM 52 C HYP A 9 -8.661 -2.781 -4.475 1.00 95.65 C +HETATM 53 O HYP A 9 -8.332 -3.405 -5.505 1.00 93.98 O +HETATM 54 CB HYP A 9 -8.899 -0.380 -5.095 1.00 91.91 C +HETATM 55 CG HYP A 9 -7.874 0.557 -5.606 1.00 91.62 C +HETATM 56 CD HYP A 9 -6.624 -0.270 -5.722 1.00 93.97 C +HETATM 57 OD1 HYP A 9 -7.643 1.553 -4.634 1.00 90.15 O +ATOM 58 N GLY A 10 -9.448 -3.372 -3.597 1.00 93.50 N +ATOM 59 CA GLY A 10 -10.256 -4.510 -3.955 1.00 92.39 C +ATOM 60 C GLY A 10 -11.307 -4.045 -4.940 1.00 92.51 C +ATOM 61 O GLY A 10 -11.366 -2.875 -5.319 1.00 91.59 O +ATOM 62 N TYR A 11 -12.143 -4.946 -5.373 1.00 93.79 N +ATOM 63 CA TYR A 11 -13.197 -4.539 -6.292 1.00 93.98 C +ATOM 64 C TYR A 11 -14.154 -3.625 -5.524 1.00 93.96 C +ATOM 65 O TYR A 11 -14.949 -4.078 -4.711 1.00 92.79 O +ATOM 66 CB TYR A 11 -13.927 -5.762 -6.842 1.00 93.27 C +ATOM 67 CG TYR A 11 -14.998 -5.386 -7.842 1.00 88.54 C +ATOM 68 CD1 TYR A 11 -14.648 -4.861 -9.069 1.00 86.78 C +ATOM 69 CD2 TYR A 11 -16.342 -5.535 -7.536 1.00 85.94 C +ATOM 70 CE1 TYR A 11 -15.625 -4.498 -9.988 1.00 84.31 C +ATOM 71 CE2 TYR A 11 -17.321 -5.178 -8.451 1.00 84.74 C +ATOM 72 CZ TYR A 11 -16.957 -4.662 -9.673 1.00 84.60 C +ATOM 73 OH TYR A 11 -17.921 -4.304 -10.577 1.00 85.39 O +ATOM 74 N SER A 12 -13.999 -2.338 -5.753 1.00 94.79 N +ATOM 75 CA SER A 12 -14.706 -1.288 -5.017 1.00 94.99 C +ATOM 76 C SER A 12 -14.362 -1.271 -3.540 1.00 95.37 C +ATOM 77 O SER A 12 -15.005 -0.570 -2.761 1.00 92.33 O +ATOM 78 CB SER A 12 -16.225 -1.415 -5.195 1.00 91.99 C +ATOM 79 OG SER A 12 -16.569 -1.292 -6.552 1.00 85.63 O +ATOM 80 N GLY A 13 -13.344 -2.017 -3.151 1.00 95.70 N +ATOM 81 CA GLY A 13 -12.936 -2.081 -1.765 1.00 95.14 C +ATOM 82 C GLY A 13 -11.858 -1.066 -1.453 1.00 95.65 C +ATOM 83 O GLY A 13 -11.333 -0.401 -2.342 1.00 95.33 O +ATOM 84 N PRO A 14 -11.512 -0.932 -0.186 1.00 95.52 N +ATOM 85 CA PRO A 14 -10.498 0.032 0.219 1.00 95.25 C +ATOM 86 C PRO A 14 -9.107 -0.411 -0.212 1.00 95.52 C +ATOM 87 O PRO A 14 -8.856 -1.583 -0.444 1.00 94.15 O +ATOM 88 CB PRO A 14 -10.616 0.065 1.740 1.00 93.64 C +ATOM 89 CG PRO A 14 -11.118 -1.287 2.081 1.00 92.00 C +ATOM 90 CD PRO A 14 -12.039 -1.678 0.955 1.00 93.98 C +HETATM 91 N HYP A 15 -8.233 0.589 -0.294 1.00 95.65 N +HETATM 92 CA HYP A 15 -6.846 0.281 -0.574 1.00 95.85 C +HETATM 93 C HYP A 15 -6.232 -0.545 0.518 1.00 96.47 C +HETATM 94 O HYP A 15 -6.680 -0.438 1.692 1.00 95.40 O +HETATM 95 CB HYP A 15 -6.243 1.728 -0.585 1.00 93.35 C +HETATM 96 CG HYP A 15 -7.384 2.637 -0.945 1.00 92.40 C +HETATM 97 CD HYP A 15 -8.547 2.014 -0.232 1.00 93.96 C +HETATM 98 OD1 HYP A 15 -7.604 2.632 -2.322 1.00 91.97 O +ATOM 99 N GLY A 16 -5.297 -1.376 0.157 1.00 96.12 N +ATOM 100 CA GLY A 16 -4.575 -2.120 1.154 1.00 95.95 C +ATOM 101 C GLY A 16 -3.701 -1.194 1.976 1.00 96.34 C +ATOM 102 O GLY A 16 -3.512 -0.029 1.643 1.00 96.04 O +ATOM 103 N PRO A 17 -3.165 -1.717 3.076 1.00 94.73 N +ATOM 104 CA PRO A 17 -2.293 -0.912 3.918 1.00 94.58 C +ATOM 105 C PRO A 17 -0.966 -0.644 3.230 1.00 94.93 C +ATOM 106 O PRO A 17 -0.592 -1.323 2.283 1.00 93.41 O +ATOM 107 CB PRO A 17 -2.113 -1.772 5.162 1.00 93.04 C +ATOM 108 CG PRO A 17 -2.279 -3.159 4.655 1.00 91.10 C +ATOM 109 CD PRO A 17 -3.318 -3.078 3.578 1.00 93.30 C +HETATM 110 N HYP A 18 -0.252 0.376 3.747 1.00 94.28 N +HETATM 111 CA HYP A 18 1.049 0.627 3.226 1.00 93.49 C +HETATM 112 C HYP A 18 1.949 -0.568 3.376 1.00 95.49 C +HETATM 113 O HYP A 18 1.793 -1.341 4.352 1.00 93.93 O +HETATM 114 CB HYP A 18 1.557 1.796 4.077 1.00 92.21 C +HETATM 115 CG HYP A 18 0.307 2.502 4.524 1.00 90.24 C +HETATM 116 CD HYP A 18 -0.653 1.336 4.731 1.00 93.17 C +HETATM 117 OD1 HYP A 18 -0.183 3.341 3.494 1.00 89.92 O +ATOM 118 N GLY A 19 2.800 -0.785 2.428 1.00 93.93 N +ATOM 119 CA GLY A 19 3.753 -1.853 2.508 1.00 93.89 C +ATOM 120 C GLY A 19 4.741 -1.619 3.636 1.00 94.20 C +ATOM 121 O GLY A 19 4.828 -0.529 4.190 1.00 94.48 O +ATOM 122 N PRO A 20 5.495 -2.657 3.984 1.00 91.32 N +ATOM 123 CA PRO A 20 6.478 -2.513 5.040 1.00 90.99 C +ATOM 124 C PRO A 20 7.640 -1.644 4.589 1.00 91.30 C +ATOM 125 O PRO A 20 7.847 -1.427 3.400 1.00 91.25 O +ATOM 126 CB PRO A 20 6.921 -3.951 5.295 1.00 88.79 C +ATOM 127 CG PRO A 20 6.720 -4.619 3.985 1.00 86.14 C +ATOM 128 CD PRO A 20 5.492 -3.988 3.402 1.00 88.54 C +HETATM 129 N HYP A 21 8.364 -1.157 5.563 1.00 94.05 N +HETATM 130 CA HYP A 21 9.552 -0.402 5.235 1.00 90.99 C +HETATM 131 C HYP A 21 10.564 -1.190 4.416 1.00 93.88 C +HETATM 132 O HYP A 21 10.662 -2.393 4.616 1.00 93.03 O +HETATM 133 CB HYP A 21 10.132 -0.026 6.602 1.00 89.83 C +HETATM 134 CG HYP A 21 8.956 -0.044 7.545 1.00 87.14 C +HETATM 135 CD HYP A 21 8.111 -1.192 7.000 1.00 92.14 C +HETATM 136 OD1 HYP A 21 8.198 1.160 7.410 1.00 87.32 O +ATOM 137 N GLY A 22 11.174 -0.560 3.481 1.00 91.74 N +ATOM 138 CA GLY A 22 12.207 -1.195 2.725 1.00 89.36 C +ATOM 139 C GLY A 22 13.449 -1.393 3.580 1.00 89.40 C +ATOM 140 O GLY A 22 13.504 -0.956 4.730 1.00 89.76 O +ATOM 141 N PRO A 23 14.479 -2.033 3.033 1.00 91.34 N +ATOM 142 CA PRO A 23 15.712 -2.199 3.788 1.00 90.67 C +ATOM 143 C PRO A 23 16.350 -0.846 4.038 1.00 89.70 C +ATOM 144 O PRO A 23 16.473 -0.036 3.127 1.00 86.41 O +ATOM 145 CB PRO A 23 16.566 -3.084 2.882 1.00 87.18 C +ATOM 146 CG PRO A 23 16.017 -2.877 1.526 1.00 84.24 C +ATOM 147 CD PRO A 23 14.556 -2.598 1.703 1.00 87.99 C +HETATM 148 N HYP A 24 16.666 -0.546 5.195 1.00 93.85 N +HETATM 149 CA HYP A 24 17.103 0.822 5.481 1.00 89.04 C +HETATM 150 C HYP A 24 16.099 1.883 5.147 1.00 92.67 C +HETATM 151 O HYP A 24 16.464 2.972 4.595 1.00 91.22 O +HETATM 152 CB HYP A 24 17.591 0.842 6.846 1.00 88.44 C +HETATM 153 CG HYP A 24 17.602 -0.616 7.308 1.00 88.25 C +HETATM 154 CD HYP A 24 17.129 -1.457 6.115 1.00 92.25 C +HETATM 155 OD1 HYP A 24 18.871 -1.020 7.657 1.00 89.17 O +HETATM 156 OXT HYP A 24 14.923 1.984 5.773 1.00 88.41 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_508.txt b/protein_pdb_508.txt new file mode 100644 index 0000000000000000000000000000000000000000..8ad3cfb086352da18c73b634af5dd2bc30a660ca --- /dev/null +++ b/protein_pdb_508.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 -6.694 15.467 1.240 1.00 91.83 N +ATOM 2 CA GLY A 1 -7.192 14.334 0.535 1.00 92.64 C +ATOM 3 C GLY A 1 -7.394 13.121 1.417 1.00 93.34 C +ATOM 4 O GLY A 1 -6.897 13.068 2.540 1.00 91.50 O +ATOM 5 N PRO A 2 -8.080 12.158 0.919 1.00 91.33 N +ATOM 6 CA PRO A 2 -8.349 10.945 1.683 1.00 91.68 C +ATOM 7 C PRO A 2 -7.135 10.033 1.740 1.00 91.43 C +ATOM 8 O PRO A 2 -6.189 10.179 0.971 1.00 88.95 O +ATOM 9 CB PRO A 2 -9.488 10.305 0.901 1.00 88.36 C +ATOM 10 CG PRO A 2 -9.252 10.747 -0.500 1.00 85.60 C +ATOM 11 CD PRO A 2 -8.700 12.142 -0.395 1.00 88.61 C +HETATM 12 N HYP A 3 -7.209 9.080 2.671 1.00 91.16 N +HETATM 13 CA HYP A 3 -6.146 8.087 2.760 1.00 90.09 C +HETATM 14 C HYP A 3 -6.060 7.237 1.491 1.00 91.98 C +HETATM 15 O HYP A 3 -7.101 7.034 0.822 1.00 92.89 O +HETATM 16 CB HYP A 3 -6.649 7.182 3.950 1.00 87.74 C +HETATM 17 CG HYP A 3 -7.490 8.129 4.797 1.00 86.07 C +HETATM 18 CD HYP A 3 -8.190 9.004 3.713 1.00 90.19 C +HETATM 19 OD1 HYP A 3 -6.638 8.924 5.563 1.00 89.04 O +ATOM 20 N GLY A 4 -4.879 6.851 1.137 1.00 92.12 N +ATOM 21 CA GLY A 4 -4.688 6.005 -0.010 1.00 91.18 C +ATOM 22 C GLY A 4 -5.245 4.615 0.216 1.00 91.62 C +ATOM 23 O GLY A 4 -5.624 4.248 1.332 1.00 91.40 O +ATOM 24 N PRO A 5 -5.299 3.807 -0.850 1.00 91.91 N +ATOM 25 CA PRO A 5 -5.817 2.452 -0.734 1.00 91.76 C +ATOM 26 C PRO A 5 -4.858 1.542 0.015 1.00 91.51 C +ATOM 27 O PRO A 5 -3.680 1.852 0.172 1.00 89.93 O +ATOM 28 CB PRO A 5 -5.979 2.020 -2.191 1.00 90.04 C +ATOM 29 CG PRO A 5 -4.941 2.801 -2.914 1.00 88.51 C +ATOM 30 CD PRO A 5 -4.851 4.117 -2.198 1.00 90.87 C +HETATM 31 N HYP A 6 -5.401 0.395 0.473 1.00 92.46 N +HETATM 32 CA HYP A 6 -4.576 -0.604 1.093 1.00 93.39 C +HETATM 33 C HYP A 6 -3.485 -1.090 0.163 1.00 92.67 C +HETATM 34 O HYP A 6 -3.685 -1.068 -1.083 1.00 92.19 O +HETATM 35 CB HYP A 6 -5.574 -1.737 1.407 1.00 89.17 C +HETATM 36 CG HYP A 6 -6.892 -1.039 1.550 1.00 89.85 C +HETATM 37 CD HYP A 6 -6.809 0.040 0.476 1.00 91.26 C +HETATM 38 OD1 HYP A 6 -6.966 -0.441 2.823 1.00 88.55 O +ATOM 39 N GLY A 7 -2.365 -1.436 0.679 1.00 92.82 N +ATOM 40 CA GLY A 7 -1.287 -1.970 -0.106 1.00 92.39 C +ATOM 41 C GLY A 7 -1.656 -3.287 -0.758 1.00 92.74 C +ATOM 42 O GLY A 7 -2.641 -3.927 -0.397 1.00 92.51 O +ATOM 43 N PRO A 8 -0.858 -3.702 -1.721 1.00 92.90 N +ATOM 44 CA PRO A 8 -1.152 -4.945 -2.423 1.00 92.79 C +ATOM 45 C PRO A 8 -0.889 -6.171 -1.579 1.00 93.01 C +ATOM 46 O PRO A 8 -0.068 -6.156 -0.662 1.00 91.13 O +ATOM 47 CB PRO A 8 -0.237 -4.898 -3.649 1.00 90.47 C +ATOM 48 CG PRO A 8 0.864 -3.990 -3.265 1.00 89.56 C +ATOM 49 CD PRO A 8 0.312 -3.026 -2.261 1.00 91.81 C +HETATM 50 N HYP A 9 -1.621 -7.266 -1.938 1.00 91.55 N +HETATM 51 CA HYP A 9 -1.442 -8.532 -1.290 1.00 90.45 C +HETATM 52 C HYP A 9 -0.078 -9.097 -1.620 1.00 92.45 C +HETATM 53 O HYP A 9 0.527 -8.756 -2.621 1.00 90.38 O +HETATM 54 CB HYP A 9 -2.427 -9.505 -1.930 1.00 86.57 C +HETATM 55 CG HYP A 9 -3.446 -8.647 -2.542 1.00 88.55 C +HETATM 56 CD HYP A 9 -2.724 -7.380 -2.895 1.00 90.14 C +HETATM 57 OD1 HYP A 9 -4.430 -8.356 -1.575 1.00 86.13 O +ATOM 58 N GLY A 10 0.454 -10.004 -0.980 1.00 90.40 N +ATOM 59 CA GLY A 10 1.661 -10.722 -1.313 1.00 88.17 C +ATOM 60 C GLY A 10 1.899 -11.804 -0.285 1.00 87.60 C +ATOM 61 O GLY A 10 1.187 -11.901 0.708 1.00 85.85 O +ATOM 62 N PHE A 11 2.929 -12.623 -0.519 1.00 89.79 N +ATOM 63 CA PHE A 11 3.171 -13.695 0.434 1.00 90.45 C +ATOM 64 C PHE A 11 3.793 -13.180 1.731 1.00 90.55 C +ATOM 65 O PHE A 11 3.949 -13.954 2.677 1.00 88.77 O +ATOM 66 CB PHE A 11 3.975 -14.837 -0.200 1.00 89.30 C +ATOM 67 CG PHE A 11 5.440 -14.589 -0.373 1.00 85.19 C +ATOM 68 CD1 PHE A 11 5.906 -13.867 -1.448 1.00 81.95 C +ATOM 69 CD2 PHE A 11 6.352 -15.098 0.532 1.00 81.51 C +ATOM 70 CE1 PHE A 11 7.264 -13.655 -1.626 1.00 79.12 C +ATOM 71 CE2 PHE A 11 7.707 -14.892 0.364 1.00 80.34 C +ATOM 72 CZ PHE A 11 8.163 -14.166 -0.712 1.00 80.24 C +ATOM 73 N HIS A 12 4.116 -11.900 1.782 1.00 87.22 N +ATOM 74 CA HIS A 12 4.511 -11.293 3.045 1.00 89.17 C +ATOM 75 C HIS A 12 3.322 -11.029 3.960 1.00 89.52 C +ATOM 76 O HIS A 12 3.517 -10.744 5.145 1.00 86.21 O +ATOM 77 CB HIS A 12 5.250 -9.977 2.791 1.00 86.70 C +ATOM 78 CG HIS A 12 6.587 -10.155 2.143 1.00 82.79 C +ATOM 79 ND1 HIS A 12 7.678 -10.659 2.814 1.00 78.18 N +ATOM 80 CD2 HIS A 12 6.993 -9.900 0.884 1.00 72.22 C +ATOM 81 CE1 HIS A 12 8.701 -10.697 1.973 1.00 75.02 C +ATOM 82 NE2 HIS A 12 8.326 -10.244 0.805 1.00 75.84 N +ATOM 83 N GLY A 13 2.110 -11.096 3.441 1.00 91.94 N +ATOM 84 CA GLY A 13 0.939 -10.892 4.269 1.00 91.03 C +ATOM 85 C GLY A 13 -0.213 -10.291 3.507 1.00 92.00 C +ATOM 86 O GLY A 13 -0.191 -10.208 2.278 1.00 91.83 O +ATOM 87 N PRO A 14 -1.229 -9.886 4.242 1.00 94.10 N +ATOM 88 CA PRO A 14 -2.421 -9.292 3.637 1.00 93.97 C +ATOM 89 C PRO A 14 -2.136 -7.891 3.124 1.00 94.12 C +ATOM 90 O PRO A 14 -1.017 -7.389 3.223 1.00 92.93 O +ATOM 91 CB PRO A 14 -3.421 -9.286 4.794 1.00 92.42 C +ATOM 92 CG PRO A 14 -2.575 -9.155 6.008 1.00 90.92 C +ATOM 93 CD PRO A 14 -1.315 -9.917 5.700 1.00 92.70 C +HETATM 94 N HYP A 15 -3.197 -7.286 2.585 1.00 91.65 N +HETATM 95 CA HYP A 15 -3.051 -5.930 2.099 1.00 92.68 C +HETATM 96 C HYP A 15 -2.432 -5.028 3.118 1.00 93.59 C +HETATM 97 O HYP A 15 -2.714 -5.192 4.348 1.00 92.30 O +HETATM 98 CB HYP A 15 -4.475 -5.492 1.777 1.00 89.87 C +HETATM 99 CG HYP A 15 -5.168 -6.788 1.455 1.00 88.93 C +HETATM 100 CD HYP A 15 -4.545 -7.777 2.425 1.00 90.68 C +HETATM 101 OD1 HYP A 15 -4.885 -7.133 0.152 1.00 88.21 O +ATOM 102 N GLY A 16 -1.597 -4.148 2.688 1.00 94.54 N +ATOM 103 CA GLY A 16 -0.987 -3.201 3.580 1.00 93.87 C +ATOM 104 C GLY A 16 -1.993 -2.186 4.090 1.00 94.24 C +ATOM 105 O GLY A 16 -3.142 -2.158 3.657 1.00 93.86 O +ATOM 106 N PRO A 17 -1.549 -1.346 5.020 1.00 92.43 N +ATOM 107 CA PRO A 17 -2.435 -0.324 5.560 1.00 91.97 C +ATOM 108 C PRO A 17 -2.744 0.749 4.524 1.00 92.41 C +ATOM 109 O PRO A 17 -2.056 0.875 3.515 1.00 90.90 O +ATOM 110 CB PRO A 17 -1.651 0.241 6.738 1.00 90.32 C +ATOM 111 CG PRO A 17 -0.237 -0.046 6.422 1.00 88.90 C +ATOM 112 CD PRO A 17 -0.215 -1.303 5.608 1.00 91.07 C +HETATM 113 N HYP A 18 -3.816 1.507 4.792 1.00 89.28 N +HETATM 114 CA HYP A 18 -4.127 2.606 3.950 1.00 87.67 C +HETATM 115 C HYP A 18 -3.006 3.595 3.825 1.00 89.37 C +HETATM 116 O HYP A 18 -2.234 3.779 4.796 1.00 89.13 O +HETATM 117 CB HYP A 18 -5.356 3.221 4.645 1.00 85.82 C +HETATM 118 CG HYP A 18 -6.003 2.047 5.368 1.00 85.32 C +HETATM 119 CD HYP A 18 -4.799 1.269 5.858 1.00 89.21 C +HETATM 120 OD1 HYP A 18 -6.741 1.264 4.458 1.00 85.74 O +ATOM 121 N GLY A 19 -2.846 4.152 2.673 1.00 88.63 N +ATOM 122 CA GLY A 19 -1.828 5.147 2.456 1.00 88.08 C +ATOM 123 C GLY A 19 -2.094 6.404 3.258 1.00 88.34 C +ATOM 124 O GLY A 19 -3.148 6.558 3.880 1.00 89.01 O +ATOM 125 N PRO A 20 -1.130 7.308 3.249 1.00 85.41 N +ATOM 126 CA PRO A 20 -1.281 8.543 4.012 1.00 85.77 C +ATOM 127 C PRO A 20 -2.309 9.470 3.387 1.00 85.41 C +ATOM 128 O PRO A 20 -2.625 9.370 2.209 1.00 85.17 O +ATOM 129 CB PRO A 20 0.119 9.155 3.963 1.00 83.09 C +ATOM 130 CG PRO A 20 0.694 8.637 2.697 1.00 81.44 C +ATOM 131 CD PRO A 20 0.135 7.250 2.529 1.00 84.26 C +HETATM 132 N HYP A 21 -2.820 10.353 4.210 1.00 87.65 N +HETATM 133 CA HYP A 21 -3.718 11.360 3.725 1.00 87.57 C +HETATM 134 C HYP A 21 -3.104 12.250 2.690 1.00 88.78 C +HETATM 135 O HYP A 21 -1.901 12.544 2.791 1.00 89.70 O +HETATM 136 CB HYP A 21 -4.065 12.179 4.993 1.00 85.75 C +HETATM 137 CG HYP A 21 -3.786 11.256 6.159 1.00 83.53 C +HETATM 138 CD HYP A 21 -2.602 10.442 5.670 1.00 87.76 C +HETATM 139 OD1 HYP A 21 -4.895 10.383 6.342 1.00 84.44 O +ATOM 140 N GLY A 22 -3.812 12.590 1.683 1.00 88.72 N +ATOM 141 CA GLY A 22 -3.344 13.575 0.743 1.00 86.46 C +ATOM 142 C GLY A 22 -3.382 14.960 1.365 1.00 85.93 C +ATOM 143 O GLY A 22 -3.885 15.146 2.470 1.00 85.93 O +ATOM 144 N PRO A 23 -2.854 15.966 0.667 1.00 91.52 N +ATOM 145 CA PRO A 23 -2.913 17.325 1.189 1.00 91.46 C +ATOM 146 C PRO A 23 -4.342 17.844 1.117 1.00 90.60 C +ATOM 147 O PRO A 23 -4.915 17.938 0.040 1.00 86.95 O +ATOM 148 CB PRO A 23 -1.962 18.103 0.284 1.00 88.29 C +ATOM 149 CG PRO A 23 -1.898 17.314 -0.973 1.00 86.28 C +ATOM 150 CD PRO A 23 -2.179 15.876 -0.615 1.00 89.52 C +HETATM 151 N HYP A 24 -4.999 18.003 2.175 1.00 93.57 N +HETATM 152 CA HYP A 24 -6.502 17.971 2.228 1.00 89.30 C +HETATM 153 C HYP A 24 -7.213 16.859 1.814 1.00 92.97 C +HETATM 154 O HYP A 24 -8.274 17.041 1.009 1.00 92.76 O +HETATM 155 CB HYP A 24 -6.922 18.871 3.334 1.00 87.93 C +HETATM 156 CG HYP A 24 -5.699 19.776 3.564 1.00 86.96 C +HETATM 157 CD HYP A 24 -4.478 19.002 2.969 1.00 91.24 C +HETATM 158 OD1 HYP A 24 -5.480 20.048 4.930 1.00 89.02 O +HETATM 159 OXT HYP A 24 -7.673 15.994 2.797 1.00 88.25 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_509.txt b/protein_pdb_509.txt new file mode 100644 index 0000000000000000000000000000000000000000..51f063ab7a7613cd41e4171ca5b61c6748683c64 --- /dev/null +++ b/protein_pdb_509.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -29.143 14.994 -8.996 1.00 91.14 N +ATOM 2 CA GLY A 1 -28.339 14.500 -10.107 1.00 92.64 C +ATOM 3 C GLY A 1 -27.817 13.107 -9.840 1.00 93.32 C +ATOM 4 O GLY A 1 -27.992 12.578 -8.739 1.00 91.07 O +ATOM 5 N PRO A 2 -27.167 12.486 -10.803 1.00 94.73 N +ATOM 6 CA PRO A 2 -26.633 11.136 -10.625 1.00 95.49 C +ATOM 7 C PRO A 2 -25.438 11.138 -9.674 1.00 95.71 C +ATOM 8 O PRO A 2 -24.812 12.163 -9.442 1.00 94.55 O +ATOM 9 CB PRO A 2 -26.219 10.724 -12.036 1.00 93.69 C +ATOM 10 CG PRO A 2 -25.892 12.017 -12.697 1.00 90.81 C +ATOM 11 CD PRO A 2 -26.890 13.005 -12.138 1.00 92.81 C +HETATM 12 N HYP A 3 -25.175 10.007 -9.126 1.00 96.35 N +HETATM 13 CA HYP A 3 -23.984 9.828 -8.289 1.00 96.25 C +HETATM 14 C HYP A 3 -22.706 10.177 -9.014 1.00 96.89 C +HETATM 15 O HYP A 3 -22.599 9.982 -10.231 1.00 94.79 O +HETATM 16 CB HYP A 3 -24.035 8.360 -7.916 1.00 95.57 C +HETATM 17 CG HYP A 3 -25.480 7.976 -8.044 1.00 94.35 C +HETATM 18 CD HYP A 3 -25.942 8.798 -9.243 1.00 95.76 C +HETATM 19 OD1 HYP A 3 -26.202 8.313 -6.904 1.00 94.12 O +ATOM 20 N GLY A 4 -21.724 10.687 -8.282 1.00 96.30 N +ATOM 21 CA GLY A 4 -20.459 11.026 -8.876 1.00 95.88 C +ATOM 22 C GLY A 4 -19.680 9.777 -9.264 1.00 96.21 C +ATOM 23 O GLY A 4 -20.080 8.655 -8.929 1.00 95.72 O +ATOM 24 N PRO A 5 -18.570 9.955 -9.965 1.00 96.70 N +ATOM 25 CA PRO A 5 -17.763 8.808 -10.384 1.00 96.56 C +ATOM 26 C PRO A 5 -17.043 8.175 -9.200 1.00 96.84 C +ATOM 27 O PRO A 5 -16.837 8.809 -8.170 1.00 96.20 O +ATOM 28 CB PRO A 5 -16.783 9.412 -11.384 1.00 95.12 C +ATOM 29 CG PRO A 5 -16.626 10.810 -10.906 1.00 93.44 C +ATOM 30 CD PRO A 5 -17.991 11.216 -10.407 1.00 95.21 C +HETATM 31 N HYP A 6 -16.674 6.933 -9.341 1.00 96.46 N +HETATM 32 CA HYP A 6 -15.835 6.263 -8.345 1.00 96.76 C +HETATM 33 C HYP A 6 -14.515 6.952 -8.123 1.00 96.59 C +HETATM 34 O HYP A 6 -13.964 7.574 -9.042 1.00 95.11 O +HETATM 35 CB HYP A 6 -15.627 4.868 -8.945 1.00 95.05 C +HETATM 36 CG HYP A 6 -16.834 4.670 -9.825 1.00 93.86 C +HETATM 37 CD HYP A 6 -17.052 6.055 -10.387 1.00 95.25 C +HETATM 38 OD1 HYP A 6 -17.944 4.240 -9.081 1.00 91.65 O +ATOM 39 N GLY A 7 -13.998 6.886 -6.902 1.00 96.80 N +ATOM 40 CA GLY A 7 -12.731 7.501 -6.592 1.00 96.66 C +ATOM 41 C GLY A 7 -11.589 6.801 -7.299 1.00 96.82 C +ATOM 42 O GLY A 7 -11.770 5.753 -7.924 1.00 96.62 O +ATOM 43 N PRO A 8 -10.399 7.375 -7.201 1.00 96.10 N +ATOM 44 CA PRO A 8 -9.234 6.780 -7.847 1.00 96.16 C +ATOM 45 C PRO A 8 -8.818 5.492 -7.153 1.00 96.03 C +ATOM 46 O PRO A 8 -9.158 5.258 -5.997 1.00 95.33 O +ATOM 47 CB PRO A 8 -8.165 7.861 -7.713 1.00 95.19 C +ATOM 48 CG PRO A 8 -8.559 8.577 -6.473 1.00 94.33 C +ATOM 49 CD PRO A 8 -10.065 8.600 -6.483 1.00 95.72 C +HETATM 50 N HYP A 9 -8.067 4.679 -7.808 1.00 95.55 N +HETATM 51 CA HYP A 9 -7.525 3.447 -7.264 1.00 95.69 C +HETATM 52 C HYP A 9 -6.611 3.717 -6.104 1.00 96.05 C +HETATM 53 O HYP A 9 -5.960 4.769 -6.030 1.00 93.90 O +HETATM 54 CB HYP A 9 -6.660 2.893 -8.449 1.00 93.78 C +HETATM 55 CG HYP A 9 -7.351 3.443 -9.646 1.00 93.21 C +HETATM 56 CD HYP A 9 -7.770 4.807 -9.187 1.00 94.29 C +HETATM 57 OD1 HYP A 9 -8.504 2.671 -9.974 1.00 91.38 O +ATOM 58 N GLY A 10 -6.574 2.805 -5.154 1.00 96.00 N +ATOM 59 CA GLY A 10 -5.694 2.941 -4.018 1.00 95.19 C +ATOM 60 C GLY A 10 -4.242 2.816 -4.439 1.00 95.55 C +ATOM 61 O GLY A 10 -3.918 2.422 -5.558 1.00 95.14 O +ATOM 62 N HIS A 11 -3.354 3.150 -3.509 1.00 95.21 N +ATOM 63 CA HIS A 11 -1.921 3.055 -3.769 1.00 95.28 C +ATOM 64 C HIS A 11 -1.455 1.610 -3.729 1.00 95.46 C +ATOM 65 O HIS A 11 -2.030 0.771 -3.039 1.00 93.81 O +ATOM 66 CB HIS A 11 -1.144 3.863 -2.731 1.00 93.04 C +ATOM 67 CG HIS A 11 -1.454 5.323 -2.750 1.00 89.30 C +ATOM 68 ND1 HIS A 11 -2.163 5.954 -1.740 1.00 83.15 N +ATOM 69 CD2 HIS A 11 -1.165 6.274 -3.659 1.00 80.81 C +ATOM 70 CE1 HIS A 11 -2.283 7.224 -2.033 1.00 81.37 C +ATOM 71 NE2 HIS A 11 -1.689 7.460 -3.196 1.00 82.51 N +ATOM 72 N LEU A 12 -0.384 1.337 -4.452 1.00 93.30 N +ATOM 73 CA LEU A 12 0.225 0.014 -4.418 1.00 93.29 C +ATOM 74 C LEU A 12 0.733 -0.229 -3.000 1.00 93.17 C +ATOM 75 O LEU A 12 1.251 0.689 -2.358 1.00 90.10 O +ATOM 76 CB LEU A 12 1.382 -0.052 -5.425 1.00 90.59 C +ATOM 77 CG LEU A 12 2.100 -1.396 -5.577 1.00 82.87 C +ATOM 78 CD1 LEU A 12 1.151 -2.458 -6.096 1.00 80.03 C +ATOM 79 CD2 LEU A 12 3.287 -1.245 -6.520 1.00 76.53 C +ATOM 80 N GLY A 13 0.566 -1.455 -2.524 1.00 95.99 N +ATOM 81 CA GLY A 13 1.009 -1.786 -1.178 1.00 95.36 C +ATOM 82 C GLY A 13 2.514 -1.675 -1.019 1.00 95.84 C +ATOM 83 O GLY A 13 3.253 -1.560 -1.992 1.00 95.50 O +ATOM 84 N PRO A 14 2.991 -1.705 0.228 1.00 94.62 N +ATOM 85 CA PRO A 14 4.422 -1.582 0.478 1.00 94.85 C +ATOM 86 C PRO A 14 5.182 -2.802 -0.020 1.00 95.12 C +ATOM 87 O PRO A 14 4.620 -3.883 -0.161 1.00 94.13 O +ATOM 88 CB PRO A 14 4.510 -1.452 2.000 1.00 93.50 C +ATOM 89 CG PRO A 14 3.298 -2.172 2.483 1.00 92.61 C +ATOM 90 CD PRO A 14 2.236 -1.860 1.468 1.00 93.59 C +HETATM 91 N HYP A 15 6.470 -2.640 -0.249 1.00 93.25 N +HETATM 92 CA HYP A 15 7.329 -3.755 -0.628 1.00 93.95 C +HETATM 93 C HYP A 15 7.355 -4.841 0.417 1.00 96.17 C +HETATM 94 O HYP A 15 7.156 -4.555 1.606 1.00 87.53 O +HETATM 95 CB HYP A 15 8.700 -3.060 -0.759 1.00 92.85 C +HETATM 96 CG HYP A 15 8.346 -1.632 -1.083 1.00 89.13 C +HETATM 97 CD HYP A 15 7.125 -1.379 -0.279 1.00 91.98 C +HETATM 98 OD1 HYP A 15 8.058 -1.462 -2.459 1.00 91.14 O +ATOM 99 N GLY A 16 7.570 -6.037 0.024 1.00 95.32 N +ATOM 100 CA GLY A 16 7.702 -7.118 0.962 1.00 94.45 C +ATOM 101 C GLY A 16 8.984 -6.976 1.764 1.00 94.64 C +ATOM 102 O GLY A 16 9.839 -6.144 1.459 1.00 94.62 O +ATOM 103 N PRO A 17 9.130 -7.805 2.797 1.00 93.63 N +ATOM 104 CA PRO A 17 10.332 -7.730 3.620 1.00 93.68 C +ATOM 105 C PRO A 17 11.555 -8.233 2.864 1.00 93.53 C +ATOM 106 O PRO A 17 11.440 -8.987 1.914 1.00 92.68 O +ATOM 107 CB PRO A 17 10.003 -8.624 4.818 1.00 91.68 C +ATOM 108 CG PRO A 17 9.039 -9.614 4.252 1.00 90.11 C +ATOM 109 CD PRO A 17 8.203 -8.833 3.274 1.00 91.47 C +HETATM 110 N HYP A 18 12.720 -7.827 3.291 1.00 93.98 N +HETATM 111 CA HYP A 18 13.959 -8.324 2.740 1.00 93.99 C +HETATM 112 C HYP A 18 14.110 -9.813 2.878 1.00 94.79 C +HETATM 113 O HYP A 18 13.579 -10.420 3.829 1.00 92.08 O +HETATM 114 CB HYP A 18 15.011 -7.578 3.536 1.00 93.12 C +HETATM 115 CG HYP A 18 14.332 -6.320 4.023 1.00 90.84 C +HETATM 116 CD HYP A 18 12.922 -6.782 4.252 1.00 93.35 C +HETATM 117 OD1 HYP A 18 14.334 -5.308 3.049 1.00 90.98 O +ATOM 118 N GLY A 19 14.771 -10.427 1.940 1.00 93.33 N +ATOM 119 CA GLY A 19 15.021 -11.842 2.006 1.00 93.19 C +ATOM 120 C GLY A 19 15.977 -12.159 3.151 1.00 93.80 C +ATOM 121 O GLY A 19 16.541 -11.265 3.774 1.00 93.49 O +ATOM 122 N PRO A 20 16.164 -13.449 3.423 1.00 91.92 N +ATOM 123 CA PRO A 20 17.056 -13.841 4.512 1.00 91.79 C +ATOM 124 C PRO A 20 18.511 -13.563 4.159 1.00 91.30 C +ATOM 125 O PRO A 20 18.866 -13.419 2.993 1.00 90.12 O +ATOM 126 CB PRO A 20 16.782 -15.335 4.658 1.00 89.53 C +ATOM 127 CG PRO A 20 16.353 -15.743 3.296 1.00 87.37 C +ATOM 128 CD PRO A 20 15.550 -14.591 2.765 1.00 89.79 C +HETATM 129 N HYP A 21 19.382 -13.503 5.142 1.00 94.85 N +HETATM 130 CA HYP A 21 20.793 -13.304 4.941 1.00 94.19 C +HETATM 131 C HYP A 21 21.434 -14.402 4.114 1.00 95.08 C +HETATM 132 O HYP A 21 20.960 -15.554 4.159 1.00 93.77 O +HETATM 133 CB HYP A 21 21.371 -13.313 6.366 1.00 92.64 C +HETATM 134 CG HYP A 21 20.217 -12.869 7.265 1.00 91.23 C +HETATM 135 CD HYP A 21 19.033 -13.476 6.565 1.00 93.80 C +HETATM 136 OD1 HYP A 21 20.083 -11.450 7.262 1.00 90.18 O +ATOM 137 N GLY A 22 22.393 -14.093 3.293 1.00 90.54 N +ATOM 138 CA GLY A 22 23.070 -15.073 2.496 1.00 89.86 C +ATOM 139 C GLY A 22 23.823 -16.061 3.383 1.00 90.10 C +ATOM 140 O GLY A 22 23.961 -15.849 4.585 1.00 88.93 O +ATOM 141 N PRO A 23 24.341 -17.137 2.808 1.00 91.64 N +ATOM 142 CA PRO A 23 25.063 -18.126 3.598 1.00 91.27 C +ATOM 143 C PRO A 23 26.387 -17.567 4.092 1.00 90.50 C +ATOM 144 O PRO A 23 26.957 -16.655 3.493 1.00 86.67 O +ATOM 145 CB PRO A 23 25.256 -19.289 2.625 1.00 87.31 C +ATOM 146 CG PRO A 23 25.264 -18.629 1.293 1.00 83.91 C +ATOM 147 CD PRO A 23 24.271 -17.502 1.399 1.00 87.74 C +HETATM 148 N HYP A 24 26.962 -18.138 5.137 1.00 92.35 N +HETATM 149 CA HYP A 24 28.249 -17.628 5.604 1.00 88.64 C +HETATM 150 C HYP A 24 29.292 -18.002 4.579 1.00 89.67 C +HETATM 151 O HYP A 24 29.955 -17.090 4.140 1.00 87.84 O +HETATM 152 CB HYP A 24 28.517 -18.417 6.922 1.00 91.03 C +HETATM 153 CG HYP A 24 27.184 -18.918 7.387 1.00 89.66 C +HETATM 154 CD HYP A 24 26.362 -19.064 6.112 1.00 91.14 C +HETATM 155 OD1 HYP A 24 26.592 -17.915 8.201 1.00 85.04 O +HETATM 156 OXT HYP A 24 29.423 -19.215 4.247 1.00 81.48 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_51.txt b/protein_pdb_51.txt new file mode 100644 index 0000000000000000000000000000000000000000..805b97394f7d307e8c371570f4672f4f2123b99a --- /dev/null +++ b/protein_pdb_51.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 10.638 3.435 9.684 1.00 79.20 N +ATOM 2 CA GLY A 1 9.245 3.630 10.057 1.00 82.33 C +ATOM 3 C GLY A 1 8.400 2.463 9.621 1.00 83.32 C +ATOM 4 O GLY A 1 8.893 1.528 8.995 1.00 81.67 O +ATOM 5 N PRO A 2 7.143 2.524 9.938 1.00 83.32 N +ATOM 6 CA PRO A 2 6.251 1.430 9.585 1.00 85.18 C +ATOM 7 C PRO A 2 5.974 1.399 8.092 1.00 85.34 C +ATOM 8 O PRO A 2 6.201 2.369 7.381 1.00 85.14 O +ATOM 9 CB PRO A 2 4.984 1.737 10.371 1.00 81.81 C +ATOM 10 CG PRO A 2 4.982 3.221 10.483 1.00 75.74 C +ATOM 11 CD PRO A 2 6.424 3.618 10.607 1.00 76.32 C +HETATM 12 N HYP A 3 5.509 0.300 7.671 1.00 82.86 N +HETATM 13 CA HYP A 3 5.072 0.168 6.300 1.00 85.45 C +HETATM 14 C HYP A 3 4.059 1.209 5.944 1.00 86.08 C +HETATM 15 O HYP A 3 3.261 1.665 6.825 1.00 88.38 O +HETATM 16 CB HYP A 3 4.421 -1.231 6.343 1.00 85.87 C +HETATM 17 CG HYP A 3 5.215 -1.943 7.393 1.00 80.37 C +HETATM 18 CD HYP A 3 5.367 -0.894 8.469 1.00 82.28 C +HETATM 19 OD1 HYP A 3 6.443 -2.312 6.903 1.00 85.16 O +ATOM 20 N GLY A 4 4.123 1.640 4.728 1.00 89.52 N +ATOM 21 CA GLY A 4 3.144 2.574 4.254 1.00 88.49 C +ATOM 22 C GLY A 4 1.768 1.943 4.171 1.00 88.01 C +ATOM 23 O GLY A 4 1.593 0.751 4.433 1.00 88.53 O +ATOM 24 N PRO A 5 0.801 2.751 3.794 1.00 89.72 N +ATOM 25 CA PRO A 5 -0.554 2.241 3.681 1.00 88.58 C +ATOM 26 C PRO A 5 -0.685 1.292 2.506 1.00 88.23 C +ATOM 27 O PRO A 5 0.137 1.279 1.601 1.00 87.28 O +ATOM 28 CB PRO A 5 -1.385 3.504 3.472 1.00 86.57 C +ATOM 29 CG PRO A 5 -0.447 4.447 2.820 1.00 84.24 C +ATOM 30 CD PRO A 5 0.894 4.158 3.409 1.00 85.50 C +HETATM 31 N HYP A 6 -1.722 0.513 2.553 1.00 86.18 N +HETATM 32 CA HYP A 6 -2.021 -0.353 1.445 1.00 88.35 C +HETATM 33 C HYP A 6 -2.180 0.402 0.166 1.00 85.88 C +HETATM 34 O HYP A 6 -2.623 1.590 0.167 1.00 88.78 O +HETATM 35 CB HYP A 6 -3.369 -0.954 1.943 1.00 86.35 C +HETATM 36 CG HYP A 6 -3.287 -0.922 3.440 1.00 84.40 C +HETATM 37 CD HYP A 6 -2.644 0.409 3.672 1.00 86.95 C +HETATM 38 OD1 HYP A 6 -2.484 -1.949 3.911 1.00 86.88 O +ATOM 39 N GLY A 7 -1.701 -0.193 -0.886 1.00 88.11 N +ATOM 40 CA GLY A 7 -1.873 0.384 -2.186 1.00 85.56 C +ATOM 41 C GLY A 7 -3.338 0.460 -2.568 1.00 86.33 C +ATOM 42 O GLY A 7 -4.217 0.007 -1.836 1.00 86.42 O +ATOM 43 N PRO A 8 -3.598 1.035 -3.720 1.00 89.31 N +ATOM 44 CA PRO A 8 -4.971 1.157 -4.160 1.00 88.65 C +ATOM 45 C PRO A 8 -5.559 -0.199 -4.494 1.00 88.91 C +ATOM 46 O PRO A 8 -4.847 -1.141 -4.827 1.00 87.74 O +ATOM 47 CB PRO A 8 -4.871 2.041 -5.398 1.00 86.18 C +ATOM 48 CG PRO A 8 -3.494 1.817 -5.896 1.00 84.90 C +ATOM 49 CD PRO A 8 -2.650 1.573 -4.683 1.00 86.07 C +HETATM 50 N HYP A 9 -6.852 -0.271 -4.431 1.00 84.05 N +HETATM 51 CA HYP A 9 -7.514 -1.467 -4.757 1.00 89.07 C +HETATM 52 C HYP A 9 -7.338 -1.813 -6.222 1.00 85.37 C +HETATM 53 O HYP A 9 -7.248 -0.915 -7.075 1.00 86.63 O +HETATM 54 CB HYP A 9 -9.016 -1.055 -4.529 1.00 84.69 C +HETATM 55 CG HYP A 9 -8.950 0.021 -3.477 1.00 82.34 C +HETATM 56 CD HYP A 9 -7.737 0.787 -3.887 1.00 86.26 C +HETATM 57 OD1 HYP A 9 -8.718 -0.533 -2.202 1.00 84.16 O +ATOM 58 N GLY A 10 -7.143 -3.082 -6.470 1.00 86.11 N +ATOM 59 CA GLY A 10 -7.170 -3.536 -7.827 1.00 83.37 C +ATOM 60 C GLY A 10 -8.566 -3.379 -8.382 1.00 83.97 C +ATOM 61 O GLY A 10 -9.500 -2.985 -7.681 1.00 82.58 O +ATOM 62 N ARG A 11 -8.709 -3.695 -9.624 1.00 89.25 N +ATOM 63 CA ARG A 11 -10.021 -3.612 -10.238 1.00 89.99 C +ATOM 64 C ARG A 11 -10.837 -4.801 -9.780 1.00 89.18 C +ATOM 65 O ARG A 11 -10.567 -5.933 -10.167 1.00 87.71 O +ATOM 66 CB ARG A 11 -9.892 -3.590 -11.755 1.00 86.73 C +ATOM 67 CG ARG A 11 -11.198 -3.243 -12.434 1.00 80.51 C +ATOM 68 CD ARG A 11 -11.022 -3.090 -13.928 1.00 78.47 C +ATOM 69 NE ARG A 11 -10.813 -4.370 -14.579 1.00 75.99 N +ATOM 70 CZ ARG A 11 -10.354 -4.508 -15.814 1.00 72.04 C +ATOM 71 NH1 ARG A 11 -10.034 -3.441 -16.535 1.00 69.60 N +ATOM 72 NH2 ARG A 11 -10.204 -5.704 -16.331 1.00 68.36 N +HETATM 73 N HYP A 12 -11.828 -4.628 -8.911 1.00 83.56 N +HETATM 74 CA HYP A 12 -12.222 -5.568 -8.008 1.00 86.23 C +HETATM 75 C HYP A 12 -11.326 -6.359 -7.212 1.00 88.14 C +HETATM 76 O HYP A 12 -11.661 -7.325 -6.485 1.00 87.36 O +HETATM 77 CB HYP A 12 -13.695 -5.618 -7.873 1.00 82.36 C +HETATM 78 CG HYP A 12 -14.134 -4.368 -8.648 1.00 79.12 C +HETATM 79 CD HYP A 12 -12.931 -3.978 -9.443 1.00 83.30 C +HETATM 80 OD1 HYP A 12 -14.456 -3.307 -7.789 1.00 82.78 O +ATOM 81 N GLY A 13 -10.039 -5.958 -7.267 1.00 89.31 N +ATOM 82 CA GLY A 13 -8.991 -6.629 -6.548 1.00 88.39 C +ATOM 83 C GLY A 13 -8.793 -6.077 -5.150 1.00 88.63 C +ATOM 84 O GLY A 13 -9.402 -5.078 -4.768 1.00 88.51 O +ATOM 85 N PRO A 14 -7.941 -6.728 -4.395 1.00 88.24 N +ATOM 86 CA PRO A 14 -7.683 -6.322 -3.033 1.00 88.38 C +ATOM 87 C PRO A 14 -6.793 -5.090 -2.983 1.00 88.20 C +ATOM 88 O PRO A 14 -6.175 -4.707 -3.966 1.00 86.54 O +ATOM 89 CB PRO A 14 -6.968 -7.530 -2.442 1.00 85.84 C +ATOM 90 CG PRO A 14 -6.234 -8.106 -3.596 1.00 84.18 C +ATOM 91 CD PRO A 14 -7.133 -7.899 -4.779 1.00 84.07 C +HETATM 92 N HYP A 15 -6.734 -4.524 -1.795 1.00 86.48 N +HETATM 93 CA HYP A 15 -5.788 -3.452 -1.595 1.00 89.57 C +HETATM 94 C HYP A 15 -4.389 -3.918 -1.920 1.00 88.88 C +HETATM 95 O HYP A 15 -4.080 -5.092 -1.721 1.00 87.18 O +HETATM 96 CB HYP A 15 -5.980 -3.222 -0.060 1.00 86.88 C +HETATM 97 CG HYP A 15 -7.427 -3.600 0.174 1.00 84.82 C +HETATM 98 CD HYP A 15 -7.573 -4.842 -0.683 1.00 86.71 C +HETATM 99 OD1 HYP A 15 -8.292 -2.604 -0.269 1.00 86.91 O +ATOM 100 N GLY A 16 -3.624 -3.004 -2.441 1.00 89.71 N +ATOM 101 CA GLY A 16 -2.264 -3.316 -2.739 1.00 88.47 C +ATOM 102 C GLY A 16 -1.467 -3.608 -1.482 1.00 89.00 C +ATOM 103 O GLY A 16 -1.955 -3.461 -0.361 1.00 89.62 O +ATOM 104 N PRO A 17 -0.229 -4.024 -1.681 1.00 89.01 N +ATOM 105 CA PRO A 17 0.623 -4.329 -0.546 1.00 88.68 C +ATOM 106 C PRO A 17 0.989 -3.068 0.216 1.00 89.11 C +ATOM 107 O PRO A 17 0.900 -1.961 -0.306 1.00 87.63 O +ATOM 108 CB PRO A 17 1.848 -4.974 -1.180 1.00 86.31 C +ATOM 109 CG PRO A 17 1.889 -4.408 -2.549 1.00 85.47 C +ATOM 110 CD PRO A 17 0.464 -4.202 -2.952 1.00 86.65 C +HETATM 111 N HYP A 18 1.385 -3.233 1.431 1.00 89.67 N +HETATM 112 CA HYP A 18 1.863 -2.150 2.211 1.00 91.25 C +HETATM 113 C HYP A 18 2.991 -1.426 1.531 1.00 90.78 C +HETATM 114 O HYP A 18 3.791 -2.044 0.792 1.00 90.39 O +HETATM 115 CB HYP A 18 2.332 -2.863 3.470 1.00 88.78 C +HETATM 116 CG HYP A 18 1.466 -4.081 3.532 1.00 88.07 C +HETATM 117 CD HYP A 18 1.388 -4.500 2.101 1.00 89.96 C +HETATM 118 OD1 HYP A 18 0.162 -3.770 3.986 1.00 89.00 O +ATOM 119 N GLY A 19 3.014 -0.146 1.708 1.00 90.52 N +ATOM 120 CA GLY A 19 4.084 0.640 1.180 1.00 89.95 C +ATOM 121 C GLY A 19 5.400 0.301 1.860 1.00 90.12 C +ATOM 122 O GLY A 19 5.461 -0.481 2.803 1.00 90.46 O +ATOM 123 N PRO A 20 6.458 0.906 1.369 1.00 86.60 N +ATOM 124 CA PRO A 20 7.764 0.655 1.949 1.00 85.19 C +ATOM 125 C PRO A 20 7.873 1.257 3.332 1.00 85.02 C +ATOM 126 O PRO A 20 7.107 2.140 3.709 1.00 85.55 O +ATOM 127 CB PRO A 20 8.717 1.321 0.966 1.00 83.00 C +ATOM 128 CG PRO A 20 7.903 2.382 0.321 1.00 80.99 C +ATOM 129 CD PRO A 20 6.506 1.861 0.266 1.00 82.27 C +HETATM 130 N HYP A 21 8.818 0.788 4.102 1.00 85.35 N +HETATM 131 CA HYP A 21 9.094 1.324 5.369 1.00 88.88 C +HETATM 132 C HYP A 21 9.381 2.820 5.320 1.00 87.69 C +HETATM 133 O HYP A 21 9.905 3.297 4.300 1.00 88.78 O +HETATM 134 CB HYP A 21 10.304 0.555 5.810 1.00 85.19 C +HETATM 135 CG HYP A 21 10.108 -0.774 5.141 1.00 85.32 C +HETATM 136 CD HYP A 21 9.600 -0.383 3.782 1.00 87.84 C +HETATM 137 OD1 HYP A 21 9.113 -1.539 5.787 1.00 87.53 O +ATOM 138 N GLY A 22 8.939 3.528 6.294 1.00 86.42 N +ATOM 139 CA GLY A 22 9.205 4.934 6.376 1.00 84.35 C +ATOM 140 C GLY A 22 10.690 5.219 6.517 1.00 83.80 C +ATOM 141 O GLY A 22 11.517 4.310 6.566 1.00 84.03 O +ATOM 142 N PRO A 23 11.016 6.492 6.602 1.00 83.24 N +ATOM 143 CA PRO A 23 12.411 6.876 6.710 1.00 83.25 C +ATOM 144 C PRO A 23 12.990 6.481 8.056 1.00 82.34 C +ATOM 145 O PRO A 23 12.267 6.249 9.015 1.00 80.03 O +ATOM 146 CB PRO A 23 12.373 8.386 6.534 1.00 78.59 C +ATOM 147 CG PRO A 23 11.016 8.774 6.992 1.00 75.93 C +ATOM 148 CD PRO A 23 10.121 7.630 6.627 1.00 77.97 C +HETATM 149 N HYP A 24 14.266 6.459 8.183 1.00 87.05 N +HETATM 150 CA HYP A 24 14.855 6.103 9.403 1.00 82.94 C +HETATM 151 C HYP A 24 14.311 6.837 10.595 1.00 82.98 C +HETATM 152 O HYP A 24 13.967 8.027 10.396 1.00 82.14 O +HETATM 153 CB HYP A 24 16.358 6.412 9.204 1.00 81.89 C +HETATM 154 CG HYP A 24 16.544 6.528 7.738 1.00 81.10 C +HETATM 155 CD HYP A 24 15.197 6.969 7.208 1.00 85.32 C +HETATM 156 OD1 HYP A 24 16.815 5.256 7.172 1.00 84.27 O +HETATM 157 OXT HYP A 24 14.301 6.236 11.703 1.00 81.95 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_510.txt b/protein_pdb_510.txt new file mode 100644 index 0000000000000000000000000000000000000000..261cff33ff20e455c9dd62121fd6b7fc616e7a9d --- /dev/null +++ b/protein_pdb_510.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 8.179 6.501 -12.270 1.00 89.60 N +ATOM 2 CA GLY A 1 7.824 7.107 -11.038 1.00 90.22 C +ATOM 3 C GLY A 1 8.181 6.275 -9.824 1.00 90.91 C +ATOM 4 O GLY A 1 8.508 5.098 -9.944 1.00 88.94 O +ATOM 5 N PRO A 2 8.107 6.860 -8.676 1.00 91.00 N +ATOM 6 CA PRO A 2 8.403 6.149 -7.444 1.00 91.68 C +ATOM 7 C PRO A 2 7.293 5.180 -7.085 1.00 92.04 C +ATOM 8 O PRO A 2 6.210 5.222 -7.653 1.00 90.20 O +ATOM 9 CB PRO A 2 8.515 7.281 -6.427 1.00 88.25 C +ATOM 10 CG PRO A 2 7.586 8.312 -6.958 1.00 84.08 C +ATOM 11 CD PRO A 2 7.743 8.249 -8.453 1.00 86.68 C +HETATM 12 N HYP A 3 7.603 4.319 -6.123 1.00 90.48 N +HETATM 13 CA HYP A 3 6.569 3.405 -5.670 1.00 86.68 C +HETATM 14 C HYP A 3 5.396 4.148 -5.096 1.00 88.07 C +HETATM 15 O HYP A 3 5.583 5.276 -4.559 1.00 91.08 O +HETATM 16 CB HYP A 3 7.302 2.619 -4.521 1.00 89.32 C +HETATM 17 CG HYP A 3 8.756 2.636 -4.934 1.00 85.62 C +HETATM 18 CD HYP A 3 8.888 4.065 -5.545 1.00 89.96 C +HETATM 19 OD1 HYP A 3 8.928 1.688 -5.931 1.00 87.12 O +ATOM 20 N GLY A 4 4.240 3.572 -5.304 1.00 90.92 N +ATOM 21 CA GLY A 4 3.050 4.174 -4.777 1.00 90.08 C +ATOM 22 C GLY A 4 3.048 4.146 -3.260 1.00 90.30 C +ATOM 23 O GLY A 4 3.894 3.508 -2.634 1.00 90.33 O +ATOM 24 N PRO A 5 2.102 4.845 -2.650 1.00 91.01 N +ATOM 25 CA PRO A 5 2.019 4.868 -1.194 1.00 90.28 C +ATOM 26 C PRO A 5 1.555 3.533 -0.651 1.00 90.23 C +ATOM 27 O PRO A 5 0.998 2.712 -1.367 1.00 88.95 O +ATOM 28 CB PRO A 5 1.001 5.971 -0.922 1.00 87.88 C +ATOM 29 CG PRO A 5 0.125 5.935 -2.121 1.00 86.60 C +ATOM 30 CD PRO A 5 1.038 5.628 -3.270 1.00 89.45 C +HETATM 31 N HYP A 6 1.806 3.330 0.634 1.00 91.65 N +HETATM 32 CA HYP A 6 1.307 2.137 1.285 1.00 92.69 C +HETATM 33 C HYP A 6 -0.188 2.047 1.222 1.00 92.49 C +HETATM 34 O HYP A 6 -0.902 3.091 1.219 1.00 91.21 O +HETATM 35 CB HYP A 6 1.742 2.398 2.768 1.00 86.98 C +HETATM 36 CG HYP A 6 2.963 3.257 2.632 1.00 86.28 C +HETATM 37 CD HYP A 6 2.575 4.170 1.488 1.00 89.77 C +HETATM 38 OD1 HYP A 6 4.046 2.454 2.263 1.00 87.37 O +ATOM 39 N GLY A 7 -0.654 0.831 1.059 1.00 90.51 N +ATOM 40 CA GLY A 7 -2.068 0.606 1.020 1.00 89.19 C +ATOM 41 C GLY A 7 -2.704 0.932 2.354 1.00 89.72 C +ATOM 42 O GLY A 7 -2.019 1.166 3.343 1.00 89.41 O +ATOM 43 N PRO A 8 -4.025 0.950 2.392 1.00 89.72 N +ATOM 44 CA PRO A 8 -4.710 1.227 3.643 1.00 89.36 C +ATOM 45 C PRO A 8 -4.590 0.053 4.599 1.00 89.64 C +ATOM 46 O PRO A 8 -4.289 -1.068 4.199 1.00 87.40 O +ATOM 47 CB PRO A 8 -6.155 1.443 3.213 1.00 86.32 C +ATOM 48 CG PRO A 8 -6.280 0.601 1.998 1.00 85.10 C +ATOM 49 CD PRO A 8 -4.949 0.714 1.299 1.00 87.30 C +HETATM 50 N HYP A 9 -4.827 0.314 5.872 1.00 88.97 N +HETATM 51 CA HYP A 9 -4.837 -0.734 6.831 1.00 88.08 C +HETATM 52 C HYP A 9 -5.926 -1.728 6.551 1.00 89.47 C +HETATM 53 O HYP A 9 -6.969 -1.381 5.981 1.00 89.09 O +HETATM 54 CB HYP A 9 -5.166 0.012 8.157 1.00 81.99 C +HETATM 55 CG HYP A 9 -4.673 1.374 7.941 1.00 82.88 C +HETATM 56 CD HYP A 9 -4.965 1.642 6.509 1.00 88.10 C +HETATM 57 OD1 HYP A 9 -3.273 1.399 8.138 1.00 80.70 O +ATOM 58 N GLY A 10 -5.713 -2.967 6.872 1.00 89.31 N +ATOM 59 CA GLY A 10 -6.784 -3.934 6.849 1.00 86.10 C +ATOM 60 C GLY A 10 -7.786 -3.571 7.928 1.00 87.09 C +ATOM 61 O GLY A 10 -7.706 -2.503 8.539 1.00 85.46 O +ATOM 62 N LEU A 11 -8.725 -4.458 8.181 1.00 88.61 N +ATOM 63 CA LEU A 11 -9.729 -4.163 9.200 1.00 90.14 C +ATOM 64 C LEU A 11 -9.066 -3.746 10.511 1.00 89.67 C +ATOM 65 O LEU A 11 -9.454 -2.751 11.120 1.00 87.69 O +ATOM 66 CB LEU A 11 -10.618 -5.391 9.404 1.00 88.63 C +ATOM 67 CG LEU A 11 -11.790 -5.202 10.355 1.00 83.46 C +ATOM 68 CD1 LEU A 11 -12.700 -4.076 9.914 1.00 82.64 C +ATOM 69 CD2 LEU A 11 -12.579 -6.510 10.467 1.00 78.77 C +ATOM 70 N TYR A 12 -8.054 -4.507 10.914 1.00 89.60 N +ATOM 71 CA TYR A 12 -7.259 -4.185 12.100 1.00 90.35 C +ATOM 72 C TYR A 12 -5.776 -4.414 11.852 1.00 90.02 C +ATOM 73 O TYR A 12 -4.989 -4.427 12.791 1.00 87.19 O +ATOM 74 CB TYR A 12 -7.712 -5.040 13.294 1.00 88.87 C +ATOM 75 CG TYR A 12 -9.161 -4.860 13.644 1.00 85.61 C +ATOM 76 CD1 TYR A 12 -9.613 -3.678 14.216 1.00 82.42 C +ATOM 77 CD2 TYR A 12 -10.092 -5.863 13.407 1.00 80.37 C +ATOM 78 CE1 TYR A 12 -10.947 -3.496 14.534 1.00 79.77 C +ATOM 79 CE2 TYR A 12 -11.432 -5.696 13.713 1.00 81.50 C +ATOM 80 CZ TYR A 12 -11.851 -4.507 14.281 1.00 80.09 C +ATOM 81 OH TYR A 12 -13.183 -4.328 14.589 1.00 78.13 O +ATOM 82 N GLY A 13 -5.400 -4.605 10.612 1.00 93.29 N +ATOM 83 CA GLY A 13 -4.040 -4.964 10.269 1.00 92.29 C +ATOM 84 C GLY A 13 -3.180 -3.790 9.862 1.00 92.73 C +ATOM 85 O GLY A 13 -3.628 -2.644 9.840 1.00 92.71 O +ATOM 86 N PRO A 14 -1.922 -4.079 9.536 1.00 92.72 N +ATOM 87 CA PRO A 14 -0.993 -3.042 9.119 1.00 92.27 C +ATOM 88 C PRO A 14 -1.336 -2.521 7.737 1.00 92.51 C +ATOM 89 O PRO A 14 -2.130 -3.110 7.014 1.00 91.10 O +ATOM 90 CB PRO A 14 0.354 -3.765 9.113 1.00 90.23 C +ATOM 91 CG PRO A 14 -0.001 -5.168 8.790 1.00 89.49 C +ATOM 92 CD PRO A 14 -1.308 -5.407 9.493 1.00 90.86 C +HETATM 93 N HYP A 15 -0.695 -1.416 7.402 1.00 91.49 N +HETATM 94 CA HYP A 15 -0.850 -0.906 6.063 1.00 92.27 C +HETATM 95 C HYP A 15 -0.426 -1.871 5.017 1.00 93.28 C +HETATM 96 O HYP A 15 0.473 -2.710 5.277 1.00 92.13 O +HETATM 97 CB HYP A 15 0.069 0.331 6.109 1.00 89.08 C +HETATM 98 CG HYP A 15 0.148 0.706 7.573 1.00 88.59 C +HETATM 99 CD HYP A 15 0.126 -0.627 8.266 1.00 90.35 C +HETATM 100 OD1 HYP A 15 -0.983 1.455 7.950 1.00 88.07 O +ATOM 101 N GLY A 16 -1.054 -1.825 3.880 1.00 94.40 N +ATOM 102 CA GLY A 16 -0.677 -2.662 2.781 1.00 93.85 C +ATOM 103 C GLY A 16 0.689 -2.285 2.245 1.00 94.21 C +ATOM 104 O GLY A 16 1.266 -1.267 2.635 1.00 93.70 O +ATOM 105 N PRO A 17 1.222 -3.113 1.342 1.00 92.44 N +ATOM 106 CA PRO A 17 2.531 -2.830 0.773 1.00 91.89 C +ATOM 107 C PRO A 17 2.482 -1.630 -0.153 1.00 92.53 C +ATOM 108 O PRO A 17 1.420 -1.226 -0.617 1.00 91.08 O +ATOM 109 CB PRO A 17 2.867 -4.113 0.013 1.00 90.02 C +ATOM 110 CG PRO A 17 1.537 -4.656 -0.358 1.00 88.91 C +ATOM 111 CD PRO A 17 0.640 -4.333 0.801 1.00 90.50 C +HETATM 112 N HYP A 18 3.636 -1.061 -0.413 1.00 88.77 N +HETATM 113 CA HYP A 18 3.744 -0.002 -1.356 1.00 90.18 C +HETATM 114 C HYP A 18 3.281 -0.406 -2.731 1.00 89.96 C +HETATM 115 O HYP A 18 3.416 -1.587 -3.126 1.00 90.57 O +HETATM 116 CB HYP A 18 5.258 0.267 -1.392 1.00 86.45 C +HETATM 117 CG HYP A 18 5.731 -0.146 -0.021 1.00 86.62 C +HETATM 118 CD HYP A 18 4.875 -1.376 0.242 1.00 89.63 C +HETATM 119 OD1 HYP A 18 5.400 0.866 0.929 1.00 87.71 O +ATOM 120 N GLY A 19 2.703 0.508 -3.451 1.00 87.72 N +ATOM 121 CA GLY A 19 2.285 0.255 -4.798 1.00 87.15 C +ATOM 122 C GLY A 19 3.476 0.102 -5.725 1.00 87.41 C +ATOM 123 O GLY A 19 4.611 0.373 -5.348 1.00 88.38 O +ATOM 124 N PRO A 20 3.227 -0.347 -6.951 1.00 86.50 N +ATOM 125 CA PRO A 20 4.305 -0.513 -7.908 1.00 86.16 C +ATOM 126 C PRO A 20 4.822 0.828 -8.385 1.00 85.92 C +ATOM 127 O PRO A 20 4.173 1.852 -8.226 1.00 86.13 O +ATOM 128 CB PRO A 20 3.638 -1.288 -9.042 1.00 83.33 C +ATOM 129 CG PRO A 20 2.219 -0.858 -8.973 1.00 81.06 C +ATOM 130 CD PRO A 20 1.925 -0.689 -7.503 1.00 83.49 C +HETATM 131 N HYP A 21 6.037 0.811 -8.928 1.00 89.66 N +HETATM 132 CA HYP A 21 6.578 2.000 -9.517 1.00 87.69 C +HETATM 133 C HYP A 21 5.698 2.609 -10.587 1.00 87.77 C +HETATM 134 O HYP A 21 5.039 1.863 -11.317 1.00 90.91 O +HETATM 135 CB HYP A 21 7.897 1.561 -10.121 1.00 86.50 C +HETATM 136 CG HYP A 21 8.319 0.376 -9.286 1.00 82.25 C +HETATM 137 CD HYP A 21 6.995 -0.296 -8.973 1.00 88.57 C +HETATM 138 OD1 HYP A 21 8.875 0.853 -8.056 1.00 82.07 O +ATOM 139 N GLY A 22 5.639 3.908 -10.641 1.00 87.24 N +ATOM 140 CA GLY A 22 4.881 4.587 -11.653 1.00 84.17 C +ATOM 141 C GLY A 22 5.562 4.468 -13.009 1.00 83.82 C +ATOM 142 O GLY A 22 6.681 3.964 -13.107 1.00 83.95 O +ATOM 143 N PRO A 23 4.917 4.948 -14.078 1.00 90.70 N +ATOM 144 CA PRO A 23 5.495 4.871 -15.415 1.00 89.99 C +ATOM 145 C PRO A 23 6.550 5.946 -15.609 1.00 89.02 C +ATOM 146 O PRO A 23 6.232 7.103 -15.843 1.00 85.65 O +ATOM 147 CB PRO A 23 4.288 5.064 -16.321 1.00 85.70 C +ATOM 148 CG PRO A 23 3.385 5.928 -15.524 1.00 82.14 C +ATOM 149 CD PRO A 23 3.585 5.512 -14.081 1.00 86.27 C +HETATM 150 N HYP A 24 7.770 5.623 -15.334 1.00 93.19 N +HETATM 151 CA HYP A 24 9.016 6.264 -14.817 1.00 86.92 C +HETATM 152 C HYP A 24 9.072 6.921 -13.657 1.00 92.08 C +HETATM 153 O HYP A 24 9.063 8.237 -13.548 1.00 91.68 O +HETATM 154 CB HYP A 24 10.037 6.223 -15.866 1.00 86.28 C +HETATM 155 CG HYP A 24 9.315 5.781 -17.112 1.00 86.53 C +HETATM 156 CD HYP A 24 7.896 5.305 -16.653 1.00 91.14 C +HETATM 157 OD1 HYP A 24 9.982 4.694 -17.701 1.00 87.16 O +HETATM 158 OXT HYP A 24 10.040 6.447 -12.736 1.00 87.58 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_511.txt b/protein_pdb_511.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d04812916e5ae5715a4a87baa12bd5a3ec6a1d6 --- /dev/null +++ b/protein_pdb_511.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -29.076 8.355 -17.485 1.00 89.41 N +ATOM 2 CA GLY A 1 -27.891 8.059 -18.284 1.00 91.34 C +ATOM 3 C GLY A 1 -27.149 6.852 -17.762 1.00 92.33 C +ATOM 4 O GLY A 1 -27.509 6.311 -16.711 1.00 89.87 O +ATOM 5 N PRO A 2 -26.112 6.408 -18.443 1.00 93.81 N +ATOM 6 CA PRO A 2 -25.347 5.240 -18.001 1.00 94.69 C +ATOM 7 C PRO A 2 -24.516 5.559 -16.762 1.00 95.03 C +ATOM 8 O PRO A 2 -24.230 6.716 -16.476 1.00 93.18 O +ATOM 9 CB PRO A 2 -24.455 4.919 -19.197 1.00 92.62 C +ATOM 10 CG PRO A 2 -24.254 6.246 -19.847 1.00 90.19 C +ATOM 11 CD PRO A 2 -25.579 6.947 -19.695 1.00 92.07 C +HETATM 12 N HYP A 3 -24.188 4.549 -16.035 1.00 95.87 N +HETATM 13 CA HYP A 3 -23.297 4.692 -14.882 1.00 95.15 C +HETATM 14 C HYP A 3 -21.967 5.293 -15.269 1.00 96.75 C +HETATM 15 O HYP A 3 -21.484 5.061 -16.380 1.00 94.70 O +HETATM 16 CB HYP A 3 -23.155 3.285 -14.378 1.00 94.56 C +HETATM 17 CG HYP A 3 -24.355 2.543 -14.884 1.00 92.30 C +HETATM 18 CD HYP A 3 -24.598 3.187 -16.237 1.00 94.88 C +HETATM 19 OD1 HYP A 3 -25.465 2.713 -14.058 1.00 92.89 O +ATOM 20 N GLY A 4 -21.376 6.042 -14.355 1.00 95.90 N +ATOM 21 CA GLY A 4 -20.089 6.625 -14.612 1.00 95.45 C +ATOM 22 C GLY A 4 -19.000 5.555 -14.636 1.00 95.84 C +ATOM 23 O GLY A 4 -19.255 4.395 -14.287 1.00 95.51 O +ATOM 24 N PRO A 5 -17.784 5.929 -15.033 1.00 95.90 N +ATOM 25 CA PRO A 5 -16.690 4.963 -15.088 1.00 95.78 C +ATOM 26 C PRO A 5 -16.235 4.567 -13.687 1.00 96.01 C +ATOM 27 O PRO A 5 -16.465 5.289 -12.722 1.00 95.35 O +ATOM 28 CB PRO A 5 -15.598 5.702 -15.845 1.00 94.47 C +ATOM 29 CG PRO A 5 -15.855 7.132 -15.503 1.00 93.43 C +ATOM 30 CD PRO A 5 -17.358 7.256 -15.464 1.00 94.87 C +HETATM 31 N HYP A 6 -15.627 3.414 -13.573 1.00 96.09 N +HETATM 32 CA HYP A 6 -14.996 3.010 -12.313 1.00 95.45 C +HETATM 33 C HYP A 6 -13.961 3.957 -11.828 1.00 96.66 C +HETATM 34 O HYP A 6 -13.292 4.613 -12.633 1.00 94.75 O +HETATM 35 CB HYP A 6 -14.401 1.627 -12.627 1.00 93.50 C +HETATM 36 CG HYP A 6 -15.216 1.133 -13.777 1.00 90.49 C +HETATM 37 CD HYP A 6 -15.495 2.397 -14.540 1.00 93.36 C +HETATM 38 OD1 HYP A 6 -16.410 0.529 -13.337 1.00 90.67 O +ATOM 39 N GLY A 7 -13.837 4.101 -10.518 1.00 96.41 N +ATOM 40 CA GLY A 7 -12.857 4.993 -9.941 1.00 96.16 C +ATOM 41 C GLY A 7 -11.446 4.501 -10.208 1.00 96.52 C +ATOM 42 O GLY A 7 -11.241 3.390 -10.689 1.00 96.25 O +ATOM 43 N PRO A 8 -10.456 5.338 -9.875 1.00 96.22 N +ATOM 44 CA PRO A 8 -9.061 4.952 -10.089 1.00 95.96 C +ATOM 45 C PRO A 8 -8.632 3.862 -9.117 1.00 95.91 C +ATOM 46 O PRO A 8 -9.251 3.668 -8.073 1.00 94.95 O +ATOM 47 CB PRO A 8 -8.300 6.250 -9.854 1.00 94.94 C +ATOM 48 CG PRO A 8 -9.160 6.978 -8.879 1.00 94.29 C +ATOM 49 CD PRO A 8 -10.571 6.669 -9.301 1.00 95.60 C +HETATM 50 N HYP A 9 -7.597 3.174 -9.407 1.00 96.07 N +HETATM 51 CA HYP A 9 -7.012 2.162 -8.539 1.00 95.69 C +HETATM 52 C HYP A 9 -6.572 2.729 -7.255 1.00 96.25 C +HETATM 53 O HYP A 9 -6.191 3.890 -7.175 1.00 94.68 O +HETATM 54 CB HYP A 9 -5.805 1.627 -9.360 1.00 93.72 C +HETATM 55 CG HYP A 9 -6.256 1.819 -10.761 1.00 92.20 C +HETATM 56 CD HYP A 9 -6.986 3.130 -10.693 1.00 94.36 C +HETATM 57 OD1 HYP A 9 -7.158 0.790 -11.165 1.00 90.26 O +ATOM 58 N GLY A 10 -6.616 1.954 -6.187 1.00 95.66 N +ATOM 59 CA GLY A 10 -6.180 2.404 -4.888 1.00 94.93 C +ATOM 60 C GLY A 10 -4.684 2.668 -4.867 1.00 95.13 C +ATOM 61 O GLY A 10 -3.959 2.362 -5.818 1.00 94.19 O +ATOM 62 N ALA A 11 -4.224 3.234 -3.754 1.00 93.99 N +ATOM 63 CA ALA A 11 -2.809 3.535 -3.597 1.00 93.41 C +ATOM 64 C ALA A 11 -1.974 2.263 -3.610 1.00 93.53 C +ATOM 65 O ALA A 11 -2.436 1.189 -3.228 1.00 91.28 O +ATOM 66 CB ALA A 11 -2.587 4.288 -2.296 1.00 90.88 C +ATOM 67 N PHE A 12 -0.719 2.395 -4.039 1.00 94.68 N +ATOM 68 CA PHE A 12 0.209 1.267 -4.045 1.00 94.06 C +ATOM 69 C PHE A 12 0.357 0.768 -2.609 1.00 94.73 C +ATOM 70 O PHE A 12 0.387 1.571 -1.666 1.00 93.06 O +ATOM 71 CB PHE A 12 1.568 1.718 -4.600 1.00 91.64 C +ATOM 72 CG PHE A 12 2.430 0.588 -5.088 1.00 86.85 C +ATOM 73 CD1 PHE A 12 2.230 0.043 -6.346 1.00 83.61 C +ATOM 74 CD2 PHE A 12 3.446 0.073 -4.308 1.00 81.21 C +ATOM 75 CE1 PHE A 12 3.013 -1.001 -6.806 1.00 78.69 C +ATOM 76 CE2 PHE A 12 4.242 -0.981 -4.758 1.00 79.04 C +ATOM 77 CZ PHE A 12 4.034 -1.519 -6.018 1.00 79.35 C +ATOM 78 N GLY A 13 0.409 -0.549 -2.451 1.00 94.86 N +ATOM 79 CA GLY A 13 0.494 -1.132 -1.120 1.00 94.41 C +ATOM 80 C GLY A 13 1.748 -0.735 -0.359 1.00 95.14 C +ATOM 81 O GLY A 13 2.704 -0.217 -0.936 1.00 94.76 O +ATOM 82 N PRO A 14 1.765 -0.982 0.960 1.00 94.33 N +ATOM 83 CA PRO A 14 2.929 -0.622 1.768 1.00 94.37 C +ATOM 84 C PRO A 14 4.119 -1.521 1.453 1.00 94.71 C +ATOM 85 O PRO A 14 3.954 -2.623 0.934 1.00 94.03 O +ATOM 86 CB PRO A 14 2.436 -0.825 3.208 1.00 93.04 C +ATOM 87 CG PRO A 14 1.406 -1.894 3.074 1.00 92.26 C +ATOM 88 CD PRO A 14 0.704 -1.581 1.777 1.00 93.22 C +HETATM 89 N HYP A 15 5.300 -1.081 1.780 1.00 94.07 N +HETATM 90 CA HYP A 15 6.516 -1.884 1.622 1.00 94.96 C +HETATM 91 C HYP A 15 6.459 -3.172 2.391 1.00 96.68 C +HETATM 92 O HYP A 15 5.805 -3.238 3.439 1.00 92.92 O +HETATM 93 CB HYP A 15 7.586 -0.952 2.147 1.00 94.89 C +HETATM 94 CG HYP A 15 7.023 0.416 1.876 1.00 91.01 C +HETATM 95 CD HYP A 15 5.570 0.248 2.160 1.00 92.33 C +HETATM 96 OD1 HYP A 15 7.217 0.813 0.540 1.00 91.89 O +ATOM 97 N GLY A 16 7.084 -4.169 1.898 1.00 96.03 N +ATOM 98 CA GLY A 16 7.146 -5.427 2.601 1.00 95.35 C +ATOM 99 C GLY A 16 8.013 -5.292 3.845 1.00 95.64 C +ATOM 100 O GLY A 16 8.636 -4.256 4.080 1.00 95.30 O +ATOM 101 N PRO A 17 8.057 -6.356 4.666 1.00 95.21 N +ATOM 102 CA PRO A 17 8.857 -6.303 5.886 1.00 94.85 C +ATOM 103 C PRO A 17 10.343 -6.270 5.576 1.00 94.83 C +ATOM 104 O PRO A 17 10.778 -6.681 4.510 1.00 93.87 O +ATOM 105 CB PRO A 17 8.457 -7.578 6.624 1.00 93.30 C +ATOM 106 CG PRO A 17 8.075 -8.505 5.519 1.00 92.61 C +ATOM 107 CD PRO A 17 7.370 -7.632 4.511 1.00 94.29 C +HETATM 108 N HYP A 18 11.145 -5.793 6.493 1.00 95.89 N +HETATM 109 CA HYP A 18 12.582 -5.810 6.382 1.00 95.46 C +HETATM 110 C HYP A 18 13.140 -7.176 6.178 1.00 96.07 C +HETATM 111 O HYP A 18 12.576 -8.168 6.691 1.00 94.06 O +HETATM 112 CB HYP A 18 13.040 -5.186 7.680 1.00 94.45 C +HETATM 113 CG HYP A 18 11.891 -4.328 8.139 1.00 91.98 C +HETATM 114 CD HYP A 18 10.707 -5.121 7.679 1.00 94.31 C +HETATM 115 OD1 HYP A 18 11.903 -3.070 7.507 1.00 91.54 O +ATOM 116 N GLY A 19 14.212 -7.284 5.431 1.00 94.64 N +ATOM 117 CA GLY A 19 14.858 -8.553 5.225 1.00 93.97 C +ATOM 118 C GLY A 19 15.514 -9.024 6.513 1.00 94.34 C +ATOM 119 O GLY A 19 15.559 -8.297 7.509 1.00 93.82 O +ATOM 120 N PRO A 20 16.043 -10.248 6.512 1.00 94.50 N +ATOM 121 CA PRO A 20 16.679 -10.780 7.711 1.00 94.07 C +ATOM 122 C PRO A 20 17.998 -10.073 8.001 1.00 94.14 C +ATOM 123 O PRO A 20 18.594 -9.460 7.124 1.00 92.52 O +ATOM 124 CB PRO A 20 16.886 -12.253 7.365 1.00 92.36 C +ATOM 125 CG PRO A 20 17.024 -12.241 5.883 1.00 91.17 C +ATOM 126 CD PRO A 20 16.045 -11.196 5.409 1.00 93.58 C +HETATM 127 N HYP A 21 18.488 -10.167 9.223 1.00 94.66 N +HETATM 128 CA HYP A 21 19.744 -9.581 9.623 1.00 93.59 C +HETATM 129 C HYP A 21 20.914 -10.146 8.862 1.00 95.45 C +HETATM 130 O HYP A 21 20.884 -11.324 8.489 1.00 93.83 O +HETATM 131 CB HYP A 21 19.857 -9.946 11.115 1.00 92.71 C +HETATM 132 CG HYP A 21 18.411 -10.106 11.592 1.00 91.23 C +HETATM 133 CD HYP A 21 17.740 -10.700 10.377 1.00 92.86 C +HETATM 134 OD1 HYP A 21 17.819 -8.848 11.890 1.00 90.09 O +ATOM 135 N GLY A 22 21.902 -9.325 8.573 1.00 91.04 N +ATOM 136 CA GLY A 22 23.077 -9.781 7.881 1.00 90.05 C +ATOM 137 C GLY A 22 23.863 -10.748 8.755 1.00 90.64 C +ATOM 138 O GLY A 22 23.542 -10.941 9.930 1.00 89.26 O +ATOM 139 N PRO A 23 24.940 -11.354 8.223 1.00 91.10 N +ATOM 140 CA PRO A 23 25.726 -12.301 9.003 1.00 91.55 C +ATOM 141 C PRO A 23 26.508 -11.587 10.092 1.00 91.30 C +ATOM 142 O PRO A 23 26.814 -10.404 9.980 1.00 87.68 O +ATOM 143 CB PRO A 23 26.645 -12.939 7.964 1.00 87.88 C +ATOM 144 CG PRO A 23 26.807 -11.866 6.950 1.00 85.08 C +ATOM 145 CD PRO A 23 25.450 -11.200 6.869 1.00 88.38 C +HETATM 146 N HYP A 24 26.916 -12.285 11.142 1.00 92.17 N +HETATM 147 CA HYP A 24 27.711 -11.623 12.169 1.00 88.63 C +HETATM 148 C HYP A 24 29.098 -11.408 11.628 1.00 86.25 C +HETATM 149 O HYP A 24 29.433 -10.257 11.522 1.00 86.02 O +HETATM 150 CB HYP A 24 27.788 -12.633 13.350 1.00 89.32 C +HETATM 151 CG HYP A 24 26.673 -13.604 13.135 1.00 87.65 C +HETATM 152 CD HYP A 24 26.404 -13.554 11.623 1.00 90.78 C +HETATM 153 OD1 HYP A 24 25.513 -13.115 13.817 1.00 83.04 O +HETATM 154 OXT HYP A 24 29.785 -12.420 11.276 1.00 83.30 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_512.txt b/protein_pdb_512.txt new file mode 100644 index 0000000000000000000000000000000000000000..d8d9bb1312a33775148455aa6b0874489297d9cb --- /dev/null +++ b/protein_pdb_512.txt @@ -0,0 +1,151 @@ +ATOM 1 N GLY A 1 2.641 13.455 -6.053 1.00 88.11 N +ATOM 2 CA GLY A 1 3.517 12.337 -5.976 1.00 89.44 C +ATOM 3 C GLY A 1 2.836 11.023 -6.302 1.00 90.33 C +ATOM 4 O GLY A 1 1.607 10.943 -6.316 1.00 88.73 O +ATOM 5 N PRO A 2 3.609 10.021 -6.534 1.00 87.21 N +ATOM 6 CA PRO A 2 3.072 8.719 -6.883 1.00 88.45 C +ATOM 7 C PRO A 2 2.538 7.978 -5.670 1.00 88.94 C +ATOM 8 O PRO A 2 2.777 8.368 -4.530 1.00 86.26 O +ATOM 9 CB PRO A 2 4.279 8.010 -7.485 1.00 85.52 C +ATOM 10 CG PRO A 2 5.425 8.598 -6.751 1.00 81.97 C +ATOM 11 CD PRO A 2 5.068 10.042 -6.541 1.00 84.03 C +HETATM 12 N HYP A 3 1.808 6.891 -5.975 1.00 88.45 N +HETATM 13 CA HYP A 3 1.325 6.058 -4.888 1.00 89.76 C +HETATM 14 C HYP A 3 2.473 5.512 -4.068 1.00 90.99 C +HETATM 15 O HYP A 3 3.574 5.269 -4.589 1.00 91.09 O +HETATM 16 CB HYP A 3 0.611 4.883 -5.616 1.00 86.53 C +HETATM 17 CG HYP A 3 0.159 5.498 -6.925 1.00 83.61 C +HETATM 18 CD HYP A 3 1.324 6.417 -7.251 1.00 88.09 C +HETATM 19 OD1 HYP A 3 -1.003 6.251 -6.690 1.00 86.16 O +ATOM 20 N GLY A 4 2.200 5.371 -2.786 1.00 90.81 N +ATOM 21 CA GLY A 4 3.171 4.804 -1.896 1.00 90.78 C +ATOM 22 C GLY A 4 3.359 3.318 -2.144 1.00 91.43 C +ATOM 23 O GLY A 4 2.631 2.697 -2.920 1.00 91.20 O +ATOM 24 N PRO A 5 4.342 2.720 -1.475 1.00 87.93 N +ATOM 25 CA PRO A 5 4.599 1.299 -1.635 1.00 87.98 C +ATOM 26 C PRO A 5 3.501 0.460 -0.999 1.00 87.41 C +ATOM 27 O PRO A 5 2.737 0.943 -0.169 1.00 86.19 O +ATOM 28 CB PRO A 5 5.937 1.108 -0.940 1.00 86.64 C +ATOM 29 CG PRO A 5 5.970 2.177 0.084 1.00 83.69 C +ATOM 30 CD PRO A 5 5.263 3.342 -0.536 1.00 85.43 C +HETATM 31 N HYP A 6 3.436 -0.837 -1.443 1.00 89.28 N +HETATM 32 CA HYP A 6 2.518 -1.740 -0.804 1.00 92.98 C +HETATM 33 C HYP A 6 2.715 -1.854 0.681 1.00 91.85 C +HETATM 34 O HYP A 6 3.856 -1.734 1.195 1.00 92.92 O +HETATM 35 CB HYP A 6 2.784 -3.062 -1.536 1.00 89.13 C +HETATM 36 CG HYP A 6 3.319 -2.665 -2.887 1.00 88.46 C +HETATM 37 CD HYP A 6 4.148 -1.441 -2.534 1.00 90.38 C +HETATM 38 OD1 HYP A 6 2.255 -2.281 -3.717 1.00 88.00 O +ATOM 39 N GLY A 7 1.630 -1.986 1.400 1.00 91.84 N +ATOM 40 CA GLY A 7 1.687 -2.166 2.824 1.00 91.57 C +ATOM 41 C GLY A 7 2.281 -3.514 3.188 1.00 92.12 C +ATOM 42 O GLY A 7 2.516 -4.366 2.332 1.00 91.71 O +ATOM 43 N PRO A 8 2.527 -3.713 4.468 1.00 90.32 N +ATOM 44 CA PRO A 8 3.090 -4.980 4.915 1.00 90.09 C +ATOM 45 C PRO A 8 2.078 -6.115 4.781 1.00 90.00 C +ATOM 46 O PRO A 8 0.877 -5.888 4.681 1.00 87.83 O +ATOM 47 CB PRO A 8 3.460 -4.718 6.369 1.00 87.61 C +ATOM 48 CG PRO A 8 2.555 -3.628 6.787 1.00 86.91 C +ATOM 49 CD PRO A 8 2.322 -2.781 5.576 1.00 90.03 C +HETATM 50 N HYP A 9 2.601 -7.356 4.798 1.00 89.05 N +HETATM 51 CA HYP A 9 1.740 -8.503 4.704 1.00 89.55 C +HETATM 52 C HYP A 9 0.854 -8.635 5.895 1.00 89.39 C +HETATM 53 O HYP A 9 1.210 -8.307 7.028 1.00 89.94 O +HETATM 54 CB HYP A 9 2.728 -9.697 4.724 1.00 85.58 C +HETATM 55 CG HYP A 9 4.014 -9.157 4.265 1.00 85.44 C +HETATM 56 CD HYP A 9 4.016 -7.758 4.805 1.00 88.30 C +HETATM 57 OD1 HYP A 9 4.015 -9.096 2.854 1.00 84.62 O +ATOM 58 N GLY A 10 -0.368 -9.070 5.667 1.00 88.93 N +ATOM 59 CA GLY A 10 -1.221 -9.515 6.738 1.00 85.98 C +ATOM 60 C GLY A 10 -0.795 -10.907 7.171 1.00 86.99 C +ATOM 61 O GLY A 10 0.150 -11.490 6.632 1.00 85.15 O +ATOM 62 N THR A 11 -1.482 -11.453 8.126 1.00 89.47 N +ATOM 63 CA THR A 11 -1.155 -12.795 8.599 1.00 90.86 C +ATOM 64 C THR A 11 -1.357 -13.802 7.473 1.00 91.10 C +ATOM 65 O THR A 11 -2.487 -14.069 7.069 1.00 88.78 O +ATOM 66 CB THR A 11 -2.023 -13.169 9.803 1.00 88.51 C +ATOM 67 OG1 THR A 11 -1.787 -12.230 10.844 1.00 84.00 O +ATOM 68 CG2 THR A 11 -1.683 -14.565 10.299 1.00 81.25 C +ATOM 69 N GLY A 12 -0.256 -14.325 6.952 1.00 89.18 N +ATOM 70 CA GLY A 12 -0.303 -15.239 5.826 1.00 89.96 C +ATOM 71 C GLY A 12 -0.826 -14.614 4.557 1.00 91.55 C +ATOM 72 O GLY A 12 -1.138 -15.333 3.604 1.00 87.58 O +ATOM 73 N GLY A 13 -0.911 -13.313 4.523 1.00 92.23 N +ATOM 74 CA GLY A 13 -1.538 -12.629 3.417 1.00 91.01 C +ATOM 75 C GLY A 13 -0.591 -11.801 2.582 1.00 91.96 C +ATOM 76 O GLY A 13 0.594 -11.676 2.889 1.00 90.71 O +ATOM 77 N PRO A 14 -1.100 -11.261 1.505 1.00 93.32 N +ATOM 78 CA PRO A 14 -0.293 -10.469 0.586 1.00 92.97 C +ATOM 79 C PRO A 14 -0.020 -9.079 1.129 1.00 93.33 C +ATOM 80 O PRO A 14 -0.620 -8.645 2.105 1.00 91.85 O +ATOM 81 CB PRO A 14 -1.152 -10.410 -0.672 1.00 91.49 C +ATOM 82 CG PRO A 14 -2.542 -10.431 -0.140 1.00 90.39 C +ATOM 83 CD PRO A 14 -2.492 -11.344 1.060 1.00 91.45 C +HETATM 84 N HYP A 15 0.901 -8.427 0.482 1.00 91.25 N +HETATM 85 CA HYP A 15 1.129 -7.046 0.769 1.00 92.56 C +HETATM 86 C HYP A 15 -0.101 -6.218 0.666 1.00 93.86 C +HETATM 87 O HYP A 15 -0.989 -6.518 -0.157 1.00 92.91 O +HETATM 88 CB HYP A 15 2.188 -6.696 -0.258 1.00 89.59 C +HETATM 89 CG HYP A 15 2.911 -8.019 -0.524 1.00 86.13 C +HETATM 90 CD HYP A 15 1.783 -9.009 -0.505 1.00 90.29 C +HETATM 91 OD1 HYP A 15 3.828 -8.289 0.495 1.00 87.91 O +ATOM 92 N GLY A 16 -0.193 -5.216 1.471 1.00 93.32 N +ATOM 93 CA GLY A 16 -1.312 -4.315 1.422 1.00 92.86 C +ATOM 94 C GLY A 16 -1.320 -3.504 0.142 1.00 93.21 C +ATOM 95 O GLY A 16 -0.388 -3.562 -0.660 1.00 92.50 O +ATOM 96 N PRO A 17 -2.379 -2.746 -0.046 1.00 92.11 N +ATOM 97 CA PRO A 17 -2.493 -1.936 -1.244 1.00 91.58 C +ATOM 98 C PRO A 17 -1.496 -0.790 -1.249 1.00 92.00 C +ATOM 99 O PRO A 17 -0.945 -0.424 -0.213 1.00 90.52 O +ATOM 100 CB PRO A 17 -3.931 -1.426 -1.197 1.00 90.01 C +ATOM 101 CG PRO A 17 -4.256 -1.427 0.252 1.00 88.57 C +ATOM 102 CD PRO A 17 -3.530 -2.601 0.837 1.00 89.86 C +HETATM 103 N HYP A 18 -1.245 -0.251 -2.436 1.00 87.15 N +HETATM 104 CA HYP A 18 -0.428 0.893 -2.532 1.00 87.98 C +HETATM 105 C HYP A 18 -0.905 2.034 -1.692 1.00 90.16 C +HETATM 106 O HYP A 18 -2.118 2.197 -1.478 1.00 90.35 O +HETATM 107 CB HYP A 18 -0.478 1.225 -4.028 1.00 86.46 C +HETATM 108 CG HYP A 18 -0.763 -0.102 -4.703 1.00 85.96 C +HETATM 109 CD HYP A 18 -1.714 -0.737 -3.719 1.00 89.42 C +HETATM 110 OD1 HYP A 18 0.438 -0.871 -4.767 1.00 85.83 O +ATOM 111 N GLY A 19 0.015 2.786 -1.189 1.00 84.94 N +ATOM 112 CA GLY A 19 -0.317 3.955 -0.420 1.00 85.46 C +ATOM 113 C GLY A 19 -0.952 5.025 -1.281 1.00 85.51 C +ATOM 114 O GLY A 19 -0.967 4.939 -2.508 1.00 85.85 O +ATOM 115 N PRO A 20 -1.482 6.037 -0.643 1.00 83.81 N +ATOM 116 CA PRO A 20 -2.115 7.112 -1.382 1.00 84.58 C +ATOM 117 C PRO A 20 -1.097 7.965 -2.120 1.00 84.01 C +ATOM 118 O PRO A 20 0.092 7.938 -1.818 1.00 84.48 O +ATOM 119 CB PRO A 20 -2.825 7.913 -0.294 1.00 83.32 C +ATOM 120 CG PRO A 20 -2.000 7.669 0.918 1.00 80.89 C +ATOM 121 CD PRO A 20 -1.513 6.255 0.796 1.00 81.73 C +HETATM 122 N HYP A 21 -1.571 8.691 -3.112 1.00 85.45 N +HETATM 123 CA HYP A 21 -0.738 9.599 -3.804 1.00 88.17 C +HETATM 124 C HYP A 21 -0.119 10.636 -2.917 1.00 86.17 C +HETATM 125 O HYP A 21 -0.777 11.078 -1.973 1.00 89.61 O +HETATM 126 CB HYP A 21 -1.666 10.260 -4.834 1.00 83.61 C +HETATM 127 CG HYP A 21 -2.749 9.253 -5.070 1.00 79.92 C +HETATM 128 CD HYP A 21 -2.917 8.634 -3.696 1.00 86.51 C +HETATM 129 OD1 HYP A 21 -2.267 8.267 -5.973 1.00 80.30 O +ATOM 130 N GLY A 22 1.102 10.967 -3.162 1.00 85.94 N +ATOM 131 CA GLY A 22 1.742 12.042 -2.463 1.00 83.99 C +ATOM 132 C GLY A 22 1.187 13.380 -2.929 1.00 83.23 C +ATOM 133 O GLY A 22 0.417 13.459 -3.881 1.00 81.98 O +ATOM 134 N PRO A 23 1.591 14.453 -2.272 1.00 88.02 N +ATOM 135 CA PRO A 23 1.135 15.777 -2.671 1.00 88.18 C +ATOM 136 C PRO A 23 1.830 16.197 -3.957 1.00 86.54 C +ATOM 137 O PRO A 23 3.037 16.412 -3.970 1.00 84.13 O +ATOM 138 CB PRO A 23 1.536 16.653 -1.484 1.00 85.78 C +ATOM 139 CG PRO A 23 2.704 15.957 -0.895 1.00 82.38 C +ATOM 140 CD PRO A 23 2.474 14.486 -1.121 1.00 84.31 C +HETATM 141 N HYP A 24 1.215 16.166 -5.020 1.00 92.06 N +HETATM 142 CA HYP A 24 1.789 16.018 -6.371 1.00 87.73 C +HETATM 143 C HYP A 24 2.639 15.066 -6.753 1.00 90.75 C +HETATM 144 O HYP A 24 3.931 15.237 -6.698 1.00 86.53 O +HETATM 145 CB HYP A 24 1.403 17.191 -7.203 1.00 85.85 C +HETATM 146 CG HYP A 24 0.423 17.961 -6.322 1.00 85.25 C +HETATM 147 CD HYP A 24 0.582 17.394 -4.898 1.00 88.46 C +HETATM 148 OD1 HYP A 24 -0.920 17.739 -6.729 1.00 86.08 O +HETATM 149 OXT HYP A 24 2.270 14.197 -7.755 1.00 83.73 O +TER 150 HYP A 24 +END diff --git a/protein_pdb_513.txt b/protein_pdb_513.txt new file mode 100644 index 0000000000000000000000000000000000000000..6cc6cfb7be50fb3f76779859a92476e6342c7987 --- /dev/null +++ b/protein_pdb_513.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 14.740 -3.154 1.620 1.00 89.40 N +ATOM 2 CA GLY A 1 14.105 -2.325 0.629 1.00 90.63 C +ATOM 3 C GLY A 1 13.118 -1.363 1.232 1.00 91.52 C +ATOM 4 O GLY A 1 12.762 -1.472 2.398 1.00 89.45 O +ATOM 5 N PRO A 2 12.675 -0.469 0.489 1.00 91.32 N +ATOM 6 CA PRO A 2 11.731 0.519 0.975 1.00 92.28 C +ATOM 7 C PRO A 2 10.337 -0.063 1.127 1.00 92.44 C +ATOM 8 O PRO A 2 10.037 -1.131 0.613 1.00 90.88 O +ATOM 9 CB PRO A 2 11.775 1.590 -0.114 1.00 89.15 C +ATOM 10 CG PRO A 2 12.065 0.809 -1.346 1.00 85.19 C +ATOM 11 CD PRO A 2 13.039 -0.245 -0.907 1.00 87.78 C +HETATM 12 N HYP A 3 9.502 0.688 1.855 1.00 90.86 N +HETATM 13 CA HYP A 3 8.126 0.240 1.991 1.00 89.25 C +HETATM 14 C HYP A 3 7.417 0.182 0.662 1.00 89.98 C +HETATM 15 O HYP A 3 7.729 0.994 -0.254 1.00 92.37 O +HETATM 16 CB HYP A 3 7.473 1.437 2.812 1.00 89.58 C +HETATM 17 CG HYP A 3 8.625 2.028 3.588 1.00 85.18 C +HETATM 18 CD HYP A 3 9.811 1.902 2.572 1.00 90.02 C +HETATM 19 OD1 HYP A 3 8.878 1.203 4.684 1.00 87.30 O +ATOM 20 N GLY A 4 6.571 -0.817 0.530 1.00 93.02 N +ATOM 21 CA GLY A 4 5.809 -0.950 -0.683 1.00 92.29 C +ATOM 22 C GLY A 4 4.784 0.163 -0.791 1.00 92.61 C +ATOM 23 O GLY A 4 4.533 0.899 0.162 1.00 92.74 O +ATOM 24 N PRO A 5 4.180 0.306 -1.968 1.00 92.92 N +ATOM 25 CA PRO A 5 3.176 1.344 -2.167 1.00 92.38 C +ATOM 26 C PRO A 5 1.898 1.023 -1.416 1.00 92.43 C +ATOM 27 O PRO A 5 1.666 -0.108 -1.016 1.00 91.28 O +ATOM 28 CB PRO A 5 2.962 1.330 -3.676 1.00 90.64 C +ATOM 29 CG PRO A 5 3.224 -0.083 -4.046 1.00 89.43 C +ATOM 30 CD PRO A 5 4.365 -0.502 -3.163 1.00 91.85 C +HETATM 31 N HYP A 6 1.075 2.078 -1.233 1.00 93.08 N +HETATM 32 CA HYP A 6 -0.208 1.832 -0.616 1.00 94.45 C +HETATM 33 C HYP A 6 -1.019 0.860 -1.424 1.00 93.48 C +HETATM 34 O HYP A 6 -0.903 0.814 -2.679 1.00 92.40 O +HETATM 35 CB HYP A 6 -0.872 3.270 -0.708 1.00 89.64 C +HETATM 36 CG HYP A 6 0.289 4.204 -0.691 1.00 88.84 C +HETATM 37 CD HYP A 6 1.321 3.476 -1.553 1.00 90.61 C +HETATM 38 OD1 HYP A 6 0.770 4.326 0.627 1.00 87.77 O +ATOM 39 N GLY A 7 -1.738 0.002 -0.728 1.00 93.21 N +ATOM 40 CA GLY A 7 -2.571 -0.960 -1.383 1.00 92.36 C +ATOM 41 C GLY A 7 -3.660 -0.274 -2.182 1.00 93.53 C +ATOM 42 O GLY A 7 -3.913 0.919 -2.021 1.00 93.19 O +ATOM 43 N PRO A 8 -4.307 -1.015 -3.058 1.00 93.41 N +ATOM 44 CA PRO A 8 -5.370 -0.427 -3.859 1.00 93.25 C +ATOM 45 C PRO A 8 -6.588 -0.125 -3.013 1.00 93.71 C +ATOM 46 O PRO A 8 -6.782 -0.700 -1.949 1.00 92.18 O +ATOM 47 CB PRO A 8 -5.657 -1.503 -4.900 1.00 90.94 C +ATOM 48 CG PRO A 8 -5.319 -2.760 -4.195 1.00 89.57 C +ATOM 49 CD PRO A 8 -4.119 -2.426 -3.354 1.00 91.92 C +HETATM 50 N HYP A 9 -7.415 0.780 -3.503 1.00 90.55 N +HETATM 51 CA HYP A 9 -8.619 1.079 -2.816 1.00 91.57 C +HETATM 52 C HYP A 9 -9.531 -0.114 -2.781 1.00 92.17 C +HETATM 53 O HYP A 9 -9.514 -0.935 -3.709 1.00 91.04 O +HETATM 54 CB HYP A 9 -9.270 2.181 -3.743 1.00 85.47 C +HETATM 55 CG HYP A 9 -8.136 2.771 -4.504 1.00 87.05 C +HETATM 56 CD HYP A 9 -7.189 1.642 -4.711 1.00 89.71 C +HETATM 57 OD1 HYP A 9 -7.506 3.746 -3.705 1.00 86.19 O +ATOM 58 N GLY A 10 -10.291 -0.317 -1.740 1.00 92.47 N +ATOM 59 CA GLY A 10 -11.335 -1.309 -1.751 1.00 90.27 C +ATOM 60 C GLY A 10 -12.383 -0.863 -2.757 1.00 90.61 C +ATOM 61 O GLY A 10 -12.171 0.075 -3.524 1.00 89.63 O +ATOM 62 N VAL A 11 -13.530 -1.515 -2.760 1.00 91.75 N +ATOM 63 CA VAL A 11 -14.565 -1.100 -3.698 1.00 92.19 C +ATOM 64 C VAL A 11 -14.806 0.397 -3.557 1.00 92.13 C +ATOM 65 O VAL A 11 -14.808 1.141 -4.547 1.00 91.09 O +ATOM 66 CB VAL A 11 -15.863 -1.904 -3.481 1.00 90.50 C +ATOM 67 CG1 VAL A 11 -16.934 -1.423 -4.438 1.00 85.49 C +ATOM 68 CG2 VAL A 11 -15.592 -3.383 -3.698 1.00 85.51 C +ATOM 69 N TYR A 12 -14.955 0.842 -2.321 1.00 91.96 N +ATOM 70 CA TYR A 12 -15.077 2.270 -2.028 1.00 92.39 C +ATOM 71 C TYR A 12 -14.217 2.650 -0.835 1.00 92.14 C +ATOM 72 O TYR A 12 -14.229 3.801 -0.402 1.00 89.91 O +ATOM 73 CB TYR A 12 -16.537 2.639 -1.740 1.00 91.13 C +ATOM 74 CG TYR A 12 -17.458 2.406 -2.908 1.00 88.16 C +ATOM 75 CD1 TYR A 12 -17.388 3.221 -4.032 1.00 85.55 C +ATOM 76 CD2 TYR A 12 -18.389 1.380 -2.900 1.00 84.02 C +ATOM 77 CE1 TYR A 12 -18.223 3.008 -5.123 1.00 83.39 C +ATOM 78 CE2 TYR A 12 -19.223 1.150 -3.991 1.00 85.15 C +ATOM 79 CZ TYR A 12 -19.138 1.977 -5.091 1.00 83.91 C +ATOM 80 OH TYR A 12 -19.961 1.758 -6.177 1.00 81.86 O +ATOM 81 N GLY A 13 -13.492 1.694 -0.296 1.00 94.58 N +ATOM 82 CA GLY A 13 -12.698 1.910 0.891 1.00 93.89 C +ATOM 83 C GLY A 13 -11.400 2.636 0.622 1.00 94.53 C +ATOM 84 O GLY A 13 -11.018 2.868 -0.522 1.00 94.40 O +ATOM 85 N PRO A 14 -10.700 2.999 1.694 1.00 94.94 N +ATOM 86 CA PRO A 14 -9.435 3.715 1.566 1.00 94.68 C +ATOM 87 C PRO A 14 -8.332 2.809 1.045 1.00 94.80 C +ATOM 88 O PRO A 14 -8.447 1.587 1.068 1.00 93.87 O +ATOM 89 CB PRO A 14 -9.153 4.179 2.991 1.00 93.26 C +ATOM 90 CG PRO A 14 -9.773 3.117 3.825 1.00 91.99 C +ATOM 91 CD PRO A 14 -11.033 2.741 3.091 1.00 93.22 C +HETATM 92 N HYP A 15 -7.263 3.460 0.596 1.00 94.18 N +HETATM 93 CA HYP A 15 -6.113 2.697 0.191 1.00 95.17 C +HETATM 94 C HYP A 15 -5.567 1.870 1.309 1.00 94.88 C +HETATM 95 O HYP A 15 -5.714 2.265 2.493 1.00 94.67 O +HETATM 96 CB HYP A 15 -5.112 3.836 -0.175 1.00 92.09 C +HETATM 97 CG HYP A 15 -5.976 5.015 -0.533 1.00 91.17 C +HETATM 98 CD HYP A 15 -7.131 4.899 0.429 1.00 92.90 C +HETATM 99 OD1 HYP A 15 -6.428 4.892 -1.851 1.00 90.94 O +ATOM 100 N GLY A 16 -5.025 0.732 0.980 1.00 95.51 N +ATOM 101 CA GLY A 16 -4.410 -0.094 1.977 1.00 95.17 C +ATOM 102 C GLY A 16 -3.151 0.566 2.509 1.00 95.50 C +ATOM 103 O GLY A 16 -2.661 1.542 1.939 1.00 94.98 O +ATOM 104 N PRO A 17 -2.620 0.033 3.605 1.00 93.41 N +ATOM 105 CA PRO A 17 -1.404 0.601 4.177 1.00 92.78 C +ATOM 106 C PRO A 17 -0.204 0.311 3.282 1.00 93.31 C +ATOM 107 O PRO A 17 -0.247 -0.564 2.426 1.00 91.74 O +ATOM 108 CB PRO A 17 -1.286 -0.106 5.517 1.00 91.26 C +ATOM 109 CG PRO A 17 -1.954 -1.414 5.281 1.00 89.97 C +ATOM 110 CD PRO A 17 -3.104 -1.106 4.368 1.00 91.48 C +HETATM 111 N HYP A 18 0.866 1.083 3.503 1.00 90.07 N +HETATM 112 CA HYP A 18 2.067 0.788 2.786 1.00 91.55 C +HETATM 113 C HYP A 18 2.528 -0.621 3.035 1.00 91.28 C +HETATM 114 O HYP A 18 2.319 -1.161 4.139 1.00 91.15 O +HETATM 115 CB HYP A 18 3.063 1.796 3.412 1.00 88.43 C +HETATM 116 CG HYP A 18 2.214 2.944 3.842 1.00 87.50 C +HETATM 117 CD HYP A 18 0.969 2.245 4.361 1.00 90.58 C +HETATM 118 OD1 HYP A 18 1.871 3.748 2.722 1.00 88.26 O +ATOM 119 N GLY A 19 3.059 -1.246 2.013 1.00 90.82 N +ATOM 120 CA GLY A 19 3.564 -2.579 2.142 1.00 90.35 C +ATOM 121 C GLY A 19 4.759 -2.612 3.076 1.00 90.92 C +ATOM 122 O GLY A 19 5.338 -1.579 3.398 1.00 91.52 O +ATOM 123 N PRO A 20 5.141 -3.804 3.518 1.00 85.80 N +ATOM 124 CA PRO A 20 6.284 -3.919 4.401 1.00 85.49 C +ATOM 125 C PRO A 20 7.578 -3.639 3.656 1.00 85.52 C +ATOM 126 O PRO A 20 7.629 -3.687 2.433 1.00 85.65 O +ATOM 127 CB PRO A 20 6.211 -5.371 4.869 1.00 82.32 C +ATOM 128 CG PRO A 20 5.568 -6.064 3.726 1.00 79.14 C +ATOM 129 CD PRO A 20 4.545 -5.095 3.208 1.00 81.90 C +HETATM 130 N HYP A 21 8.606 -3.321 4.417 1.00 90.05 N +HETATM 131 CA HYP A 21 9.894 -3.154 3.807 1.00 87.98 C +HETATM 132 C HYP A 21 10.356 -4.367 3.030 1.00 87.79 C +HETATM 133 O HYP A 21 10.042 -5.483 3.430 1.00 91.83 O +HETATM 134 CB HYP A 21 10.821 -2.882 4.993 1.00 87.09 C +HETATM 135 CG HYP A 21 9.940 -2.292 6.057 1.00 82.86 C +HETATM 136 CD HYP A 21 8.634 -3.049 5.860 1.00 88.86 C +HETATM 137 OD1 HYP A 21 9.695 -0.909 5.768 1.00 84.15 O +ATOM 138 N GLY A 22 10.983 -4.152 1.922 1.00 89.12 N +ATOM 139 CA GLY A 22 11.504 -5.234 1.150 1.00 86.65 C +ATOM 140 C GLY A 22 12.692 -5.861 1.867 1.00 86.40 C +ATOM 141 O GLY A 22 13.115 -5.387 2.921 1.00 86.16 O +ATOM 142 N PRO A 23 13.263 -6.932 1.313 1.00 91.34 N +ATOM 143 CA PRO A 23 14.418 -7.557 1.940 1.00 90.55 C +ATOM 144 C PRO A 23 15.608 -6.617 1.872 1.00 89.54 C +ATOM 145 O PRO A 23 16.061 -6.265 0.783 1.00 86.08 O +ATOM 146 CB PRO A 23 14.627 -8.824 1.115 1.00 86.94 C +ATOM 147 CG PRO A 23 14.059 -8.485 -0.208 1.00 84.05 C +ATOM 148 CD PRO A 23 12.880 -7.583 0.076 1.00 87.88 C +HETATM 149 N HYP A 24 16.077 -6.151 2.900 1.00 93.05 N +HETATM 150 CA HYP A 24 17.029 -4.964 2.868 1.00 86.34 C +HETATM 151 C HYP A 24 16.445 -3.704 2.482 1.00 91.98 C +HETATM 152 O HYP A 24 17.084 -2.894 1.684 1.00 90.92 O +HETATM 153 CB HYP A 24 17.610 -4.989 4.231 1.00 87.09 C +HETATM 154 CG HYP A 24 17.156 -6.271 4.949 1.00 85.75 C +HETATM 155 CD HYP A 24 16.287 -7.030 3.944 1.00 90.29 C +HETATM 156 OD1 HYP A 24 18.242 -7.082 5.258 1.00 87.72 O +HETATM 157 OXT HYP A 24 15.523 -3.064 3.226 1.00 87.09 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_514.txt b/protein_pdb_514.txt new file mode 100644 index 0000000000000000000000000000000000000000..0424df63f293ef6da99d6210d573994cf67db691 --- /dev/null +++ b/protein_pdb_514.txt @@ -0,0 +1,150 @@ +ATOM 1 N GLY A 1 8.690 12.112 -1.127 1.00 90.33 N +ATOM 2 CA GLY A 1 8.873 10.915 -0.380 1.00 90.93 C +ATOM 3 C GLY A 1 8.625 9.663 -1.192 1.00 92.13 C +ATOM 4 O GLY A 1 8.065 9.721 -2.285 1.00 90.56 O +ATOM 5 N PRO A 2 9.028 8.550 -0.676 1.00 91.03 N +ATOM 6 CA PRO A 2 8.866 7.285 -1.370 1.00 91.45 C +ATOM 7 C PRO A 2 7.431 6.790 -1.326 1.00 91.42 C +ATOM 8 O PRO A 2 6.612 7.281 -0.555 1.00 89.52 O +ATOM 9 CB PRO A 2 9.801 6.356 -0.603 1.00 88.90 C +ATOM 10 CG PRO A 2 9.773 6.907 0.772 1.00 85.15 C +ATOM 11 CD PRO A 2 9.706 8.402 0.598 1.00 87.58 C +HETATM 12 N HYP A 3 7.150 5.786 -2.199 1.00 88.86 N +HETATM 13 CA HYP A 3 5.839 5.190 -2.169 1.00 91.87 C +HETATM 14 C HYP A 3 5.522 4.591 -0.818 1.00 90.95 C +HETATM 15 O HYP A 3 6.429 4.107 -0.131 1.00 92.14 O +HETATM 16 CB HYP A 3 5.956 4.032 -3.206 1.00 87.26 C +HETATM 17 CG HYP A 3 7.012 4.474 -4.152 1.00 84.47 C +HETATM 18 CD HYP A 3 7.982 5.221 -3.224 1.00 86.17 C +HETATM 19 OD1 HYP A 3 6.450 5.370 -5.065 1.00 88.42 O +ATOM 20 N GLY A 4 4.265 4.678 -0.464 1.00 92.14 N +ATOM 21 CA GLY A 4 3.814 4.097 0.767 1.00 91.97 C +ATOM 22 C GLY A 4 3.867 2.581 0.698 1.00 92.81 C +ATOM 23 O GLY A 4 4.042 1.994 -0.372 1.00 92.66 O +ATOM 24 N PRO A 5 3.709 1.927 1.837 1.00 91.31 N +ATOM 25 CA PRO A 5 3.731 0.476 1.870 1.00 91.05 C +ATOM 26 C PRO A 5 2.470 -0.108 1.254 1.00 90.84 C +ATOM 27 O PRO A 5 1.469 0.580 1.092 1.00 89.05 O +ATOM 28 CB PRO A 5 3.824 0.162 3.360 1.00 88.92 C +ATOM 29 CG PRO A 5 3.135 1.310 3.998 1.00 86.85 C +ATOM 30 CD PRO A 5 3.489 2.500 3.155 1.00 89.54 C +HETATM 31 N HYP A 6 2.557 -1.411 0.878 1.00 91.77 N +HETATM 32 CA HYP A 6 1.368 -2.078 0.413 1.00 94.95 C +HETATM 33 C HYP A 6 0.242 -2.034 1.396 1.00 92.27 C +HETATM 34 O HYP A 6 0.494 -2.031 2.630 1.00 93.84 O +HETATM 35 CB HYP A 6 1.842 -3.517 0.187 1.00 90.45 C +HETATM 36 CG HYP A 6 3.316 -3.381 -0.103 1.00 89.46 C +HETATM 37 CD HYP A 6 3.703 -2.249 0.821 1.00 91.12 C +HETATM 38 OD1 HYP A 6 3.502 -2.978 -1.428 1.00 89.46 O +ATOM 39 N GLY A 7 -0.936 -1.920 0.912 1.00 93.11 N +ATOM 40 CA GLY A 7 -2.089 -1.915 1.763 1.00 93.16 C +ATOM 41 C GLY A 7 -2.276 -3.263 2.428 1.00 93.93 C +ATOM 42 O GLY A 7 -1.630 -4.245 2.065 1.00 93.70 O +ATOM 43 N PRO A 8 -3.162 -3.319 3.399 1.00 92.81 N +ATOM 44 CA PRO A 8 -3.411 -4.576 4.086 1.00 92.58 C +ATOM 45 C PRO A 8 -4.133 -5.567 3.185 1.00 92.50 C +ATOM 46 O PRO A 8 -4.744 -5.194 2.190 1.00 89.71 O +ATOM 47 CB PRO A 8 -4.269 -4.169 5.279 1.00 90.31 C +ATOM 48 CG PRO A 8 -4.964 -2.945 4.810 1.00 88.95 C +ATOM 49 CD PRO A 8 -3.970 -2.236 3.926 1.00 91.79 C +HETATM 50 N HYP A 9 -4.058 -6.864 3.557 1.00 90.08 N +HETATM 51 CA HYP A 9 -4.753 -7.857 2.812 1.00 90.99 C +HETATM 52 C HYP A 9 -6.228 -7.679 2.875 1.00 89.76 C +HETATM 53 O HYP A 9 -6.776 -7.217 3.869 1.00 91.82 O +HETATM 54 CB HYP A 9 -4.386 -9.148 3.558 1.00 86.68 C +HETATM 55 CG HYP A 9 -3.141 -8.868 4.257 1.00 86.65 C +HETATM 56 CD HYP A 9 -3.250 -7.416 4.626 1.00 88.09 C +HETATM 57 OD1 HYP A 9 -2.068 -9.029 3.369 1.00 86.35 O +ATOM 58 N GLY A 10 -6.922 -7.987 1.808 1.00 89.91 N +ATOM 59 CA GLY A 10 -8.361 -8.035 1.841 1.00 87.78 C +ATOM 60 C GLY A 10 -8.797 -9.303 2.559 1.00 88.95 C +ATOM 61 O GLY A 10 -7.988 -9.999 3.164 1.00 86.71 O +ATOM 62 N CYS A 11 -10.066 -9.604 2.476 1.00 88.68 N +ATOM 63 CA CYS A 11 -10.547 -10.843 3.089 1.00 91.88 C +ATOM 64 C CYS A 11 -9.955 -12.028 2.342 1.00 92.69 C +ATOM 65 O CYS A 11 -10.525 -12.526 1.379 1.00 90.34 O +ATOM 66 CB CYS A 11 -12.071 -10.894 3.047 1.00 88.99 C +ATOM 67 SG CYS A 11 -12.826 -9.787 4.243 1.00 81.27 S +ATOM 68 N GLY A 12 -8.779 -12.467 2.787 1.00 87.10 N +ATOM 69 CA GLY A 12 -8.053 -13.529 2.117 1.00 88.40 C +ATOM 70 C GLY A 12 -7.349 -13.078 0.862 1.00 90.46 C +ATOM 71 O GLY A 12 -6.677 -13.884 0.210 1.00 86.11 O +ATOM 72 N GLY A 13 -7.475 -11.818 0.518 1.00 92.02 N +ATOM 73 CA GLY A 13 -6.884 -11.303 -0.699 1.00 91.01 C +ATOM 74 C GLY A 13 -5.462 -10.819 -0.511 1.00 92.37 C +ATOM 75 O GLY A 13 -4.930 -10.820 0.600 1.00 91.37 O +ATOM 76 N PRO A 14 -4.831 -10.406 -1.596 1.00 92.90 N +ATOM 77 CA PRO A 14 -3.454 -9.935 -1.549 1.00 92.48 C +ATOM 78 C PRO A 14 -3.354 -8.558 -0.918 1.00 92.81 C +ATOM 79 O PRO A 14 -4.346 -7.850 -0.767 1.00 90.81 O +ATOM 80 CB PRO A 14 -3.037 -9.909 -3.017 1.00 90.80 C +ATOM 81 CG PRO A 14 -4.306 -9.617 -3.736 1.00 88.99 C +ATOM 82 CD PRO A 14 -5.373 -10.350 -2.956 1.00 90.00 C +HETATM 83 N HYP A 15 -2.136 -8.212 -0.560 1.00 92.78 N +HETATM 84 CA HYP A 15 -1.903 -6.884 -0.095 1.00 94.37 C +HETATM 85 C HYP A 15 -2.311 -5.841 -1.098 1.00 94.88 C +HETATM 86 O HYP A 15 -2.240 -6.092 -2.319 1.00 93.60 O +HETATM 87 CB HYP A 15 -0.388 -6.903 0.136 1.00 89.97 C +HETATM 88 CG HYP A 15 -0.071 -8.336 0.434 1.00 88.12 C +HETATM 89 CD HYP A 15 -1.002 -9.081 -0.504 1.00 91.28 C +HETATM 90 OD1 HYP A 15 -0.364 -8.640 1.753 1.00 88.67 O +ATOM 91 N GLY A 16 -2.751 -4.726 -0.614 1.00 94.20 N +ATOM 92 CA GLY A 16 -3.123 -3.643 -1.476 1.00 93.96 C +ATOM 93 C GLY A 16 -1.915 -3.081 -2.199 1.00 94.63 C +ATOM 94 O GLY A 16 -0.771 -3.434 -1.904 1.00 94.44 O +ATOM 95 N PRO A 17 -2.165 -2.196 -3.150 1.00 93.01 N +ATOM 96 CA PRO A 17 -1.076 -1.599 -3.910 1.00 92.59 C +ATOM 97 C PRO A 17 -0.253 -0.649 -3.055 1.00 93.13 C +ATOM 98 O PRO A 17 -0.696 -0.197 -2.001 1.00 91.52 O +ATOM 99 CB PRO A 17 -1.790 -0.866 -5.039 1.00 90.56 C +ATOM 100 CG PRO A 17 -3.118 -0.540 -4.455 1.00 88.49 C +ATOM 101 CD PRO A 17 -3.464 -1.705 -3.578 1.00 90.63 C +HETATM 102 N HYP A 18 0.975 -0.366 -3.512 1.00 90.07 N +HETATM 103 CA HYP A 18 1.764 0.601 -2.850 1.00 91.56 C +HETATM 104 C HYP A 18 1.094 1.926 -2.743 1.00 91.49 C +HETATM 105 O HYP A 18 0.307 2.305 -3.644 1.00 93.15 O +HETATM 106 CB HYP A 18 3.006 0.686 -3.761 1.00 87.56 C +HETATM 107 CG HYP A 18 3.083 -0.656 -4.417 1.00 87.37 C +HETATM 108 CD HYP A 18 1.621 -0.997 -4.620 1.00 91.14 C +HETATM 109 OD1 HYP A 18 3.666 -1.587 -3.528 1.00 88.70 O +ATOM 110 N GLY A 19 1.326 2.615 -1.682 1.00 89.32 N +ATOM 111 CA GLY A 19 0.784 3.928 -1.513 1.00 89.65 C +ATOM 112 C GLY A 19 1.419 4.905 -2.485 1.00 90.34 C +ATOM 113 O GLY A 19 2.427 4.602 -3.122 1.00 90.56 O +ATOM 114 N PRO A 20 0.842 6.077 -2.599 1.00 88.20 N +ATOM 115 CA PRO A 20 1.383 7.078 -3.502 1.00 88.37 C +ATOM 116 C PRO A 20 2.677 7.663 -2.967 1.00 88.21 C +ATOM 117 O PRO A 20 2.978 7.561 -1.783 1.00 87.59 O +ATOM 118 CB PRO A 20 0.276 8.129 -3.558 1.00 86.04 C +ATOM 119 CG PRO A 20 -0.381 8.012 -2.233 1.00 82.78 C +ATOM 120 CD PRO A 20 -0.343 6.544 -1.898 1.00 85.94 C +HETATM 121 N HYP A 21 3.462 8.275 -3.890 1.00 88.57 N +HETATM 122 CA HYP A 21 4.624 8.936 -3.451 1.00 92.56 C +HETATM 123 C HYP A 21 4.340 10.048 -2.480 1.00 90.15 C +HETATM 124 O HYP A 21 3.310 10.709 -2.618 1.00 92.50 O +HETATM 125 CB HYP A 21 5.218 9.527 -4.741 1.00 87.82 C +HETATM 126 CG HYP A 21 4.721 8.622 -5.818 1.00 82.62 C +HETATM 127 CD HYP A 21 3.342 8.254 -5.332 1.00 88.03 C +HETATM 128 OD1 HYP A 21 5.530 7.465 -5.857 1.00 86.11 O +ATOM 129 N GLY A 22 5.178 10.191 -1.513 1.00 90.71 N +ATOM 130 CA GLY A 22 5.030 11.272 -0.583 1.00 88.79 C +ATOM 131 C GLY A 22 5.369 12.592 -1.259 1.00 89.04 C +ATOM 132 O GLY A 22 5.941 12.616 -2.348 1.00 88.08 O +ATOM 133 N PRO A 23 5.056 13.709 -0.618 1.00 91.83 N +ATOM 134 CA PRO A 23 5.384 15.009 -1.173 1.00 91.35 C +ATOM 135 C PRO A 23 6.873 15.279 -1.011 1.00 90.22 C +ATOM 136 O PRO A 23 7.338 15.572 0.084 1.00 87.07 O +ATOM 137 CB PRO A 23 4.537 15.968 -0.347 1.00 88.40 C +ATOM 138 CG PRO A 23 4.388 15.276 0.961 1.00 85.04 C +ATOM 139 CD PRO A 23 4.352 13.801 0.641 1.00 88.33 C +HETATM 140 N HYP A 24 7.617 15.032 -1.963 1.00 92.86 N +HETATM 141 CA HYP A 24 9.033 14.691 -1.995 1.00 89.94 C +HETATM 142 C HYP A 24 9.555 13.579 -1.419 1.00 92.35 C +HETATM 143 O HYP A 24 10.202 13.648 -0.281 1.00 90.45 O +HETATM 144 CB HYP A 24 9.792 15.631 -2.821 1.00 87.84 C +HETATM 145 CG HYP A 24 8.789 16.736 -3.119 1.00 86.71 C +HETATM 146 CD HYP A 24 7.470 16.318 -2.449 1.00 90.60 C +HETATM 147 OD1 HYP A 24 8.563 16.822 -4.506 1.00 89.18 O +HETATM 148 OXT HYP A 24 10.257 12.678 -2.162 1.00 86.42 O +TER 149 HYP A 24 +END diff --git a/protein_pdb_515.txt b/protein_pdb_515.txt new file mode 100644 index 0000000000000000000000000000000000000000..c44199409ad215e44c53438db45b78f99e027392 --- /dev/null +++ b/protein_pdb_515.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 -7.146 15.286 -1.885 1.00 92.80 N +ATOM 2 CA GLY A 1 -7.557 14.035 -2.421 1.00 93.12 C +ATOM 3 C GLY A 1 -7.815 12.953 -1.392 1.00 93.80 C +ATOM 4 O GLY A 1 -7.504 13.111 -0.213 1.00 92.58 O +ATOM 5 N PRO A 2 -8.333 11.862 -1.822 1.00 93.31 N +ATOM 6 CA PRO A 2 -8.638 10.751 -0.941 1.00 93.58 C +ATOM 7 C PRO A 2 -7.390 9.968 -0.574 1.00 93.74 C +ATOM 8 O PRO A 2 -6.349 10.102 -1.204 1.00 92.06 O +ATOM 9 CB PRO A 2 -9.597 9.909 -1.772 1.00 91.07 C +ATOM 10 CG PRO A 2 -9.146 10.156 -3.168 1.00 87.77 C +ATOM 11 CD PRO A 2 -8.745 11.604 -3.195 1.00 90.58 C +HETATM 12 N HYP A 3 -7.535 9.159 0.442 1.00 92.25 N +HETATM 13 CA HYP A 3 -6.428 8.288 0.833 1.00 90.17 C +HETATM 14 C HYP A 3 -6.067 7.285 -0.252 1.00 93.57 C +HETATM 15 O HYP A 3 -6.970 6.892 -1.036 1.00 94.42 O +HETATM 16 CB HYP A 3 -6.980 7.564 2.087 1.00 91.62 C +HETATM 17 CG HYP A 3 -7.967 8.551 2.654 1.00 89.00 C +HETATM 18 CD HYP A 3 -8.584 9.161 1.379 1.00 91.74 C +HETATM 19 OD1 HYP A 3 -7.267 9.533 3.355 1.00 90.64 O +ATOM 20 N GLY A 4 -4.830 6.942 -0.331 1.00 95.11 N +ATOM 21 CA GLY A 4 -4.387 5.985 -1.302 1.00 94.66 C +ATOM 22 C GLY A 4 -4.897 4.601 -0.971 1.00 94.62 C +ATOM 23 O GLY A 4 -5.490 4.372 0.081 1.00 94.80 O +ATOM 24 N PRO A 5 -4.667 3.643 -1.865 1.00 95.01 N +ATOM 25 CA PRO A 5 -5.121 2.276 -1.634 1.00 94.56 C +ATOM 26 C PRO A 5 -4.290 1.589 -0.561 1.00 94.43 C +ATOM 27 O PRO A 5 -3.200 2.030 -0.225 1.00 93.45 O +ATOM 28 CB PRO A 5 -4.947 1.614 -2.997 1.00 92.73 C +ATOM 29 CG PRO A 5 -3.801 2.352 -3.601 1.00 90.54 C +ATOM 30 CD PRO A 5 -3.968 3.771 -3.146 1.00 93.20 C +HETATM 31 N HYP A 6 -4.850 0.480 -0.033 1.00 93.99 N +HETATM 32 CA HYP A 6 -4.100 -0.315 0.903 1.00 94.77 C +HETATM 33 C HYP A 6 -2.801 -0.817 0.327 1.00 94.98 C +HETATM 34 O HYP A 6 -2.720 -1.092 -0.916 1.00 95.12 O +HETATM 35 CB HYP A 6 -5.050 -1.455 1.266 1.00 92.68 C +HETATM 36 CG HYP A 6 -6.420 -0.906 1.000 1.00 91.65 C +HETATM 37 CD HYP A 6 -6.182 -0.021 -0.202 1.00 93.56 C +HETATM 38 OD1 HYP A 6 -6.849 -0.137 2.087 1.00 91.60 O +ATOM 39 N GLY A 7 -1.788 -0.887 1.132 1.00 95.03 N +ATOM 40 CA GLY A 7 -0.521 -1.393 0.693 1.00 94.57 C +ATOM 41 C GLY A 7 -0.618 -2.870 0.354 1.00 94.82 C +ATOM 42 O GLY A 7 -1.628 -3.524 0.609 1.00 94.76 O +ATOM 43 N PRO A 8 0.435 -3.410 -0.230 1.00 95.13 N +ATOM 44 CA PRO A 8 0.428 -4.816 -0.582 1.00 94.88 C +ATOM 45 C PRO A 8 0.495 -5.698 0.659 1.00 94.92 C +ATOM 46 O PRO A 8 0.896 -5.258 1.730 1.00 94.27 O +ATOM 47 CB PRO A 8 1.670 -4.981 -1.456 1.00 93.33 C +ATOM 48 CG PRO A 8 2.570 -3.906 -0.986 1.00 92.05 C +ATOM 49 CD PRO A 8 1.676 -2.757 -0.614 1.00 94.00 C +HETATM 50 N HYP A 9 0.099 -6.975 0.495 1.00 94.98 N +HETATM 51 CA HYP A 9 0.161 -7.895 1.560 1.00 94.59 C +HETATM 52 C HYP A 9 1.572 -8.123 2.042 1.00 95.99 C +HETATM 53 O HYP A 9 2.537 -8.070 1.255 1.00 95.38 O +HETATM 54 CB HYP A 9 -0.385 -9.214 0.948 1.00 93.61 C +HETATM 55 CG HYP A 9 -1.246 -8.785 -0.174 1.00 93.26 C +HETATM 56 CD HYP A 9 -0.559 -7.556 -0.686 1.00 94.64 C +HETATM 57 OD1 HYP A 9 -2.525 -8.442 0.326 1.00 92.82 O +ATOM 58 N GLY A 10 1.785 -8.342 3.307 1.00 95.91 N +ATOM 59 CA GLY A 10 3.063 -8.775 3.810 1.00 94.89 C +ATOM 60 C GLY A 10 3.320 -10.194 3.336 1.00 94.99 C +ATOM 61 O GLY A 10 2.588 -10.727 2.504 1.00 93.97 O +ATOM 62 N ARG A 11 4.351 -10.823 3.881 1.00 94.28 N +ATOM 63 CA ARG A 11 4.623 -12.202 3.479 1.00 94.34 C +ATOM 64 C ARG A 11 3.383 -13.065 3.634 1.00 94.10 C +ATOM 65 O ARG A 11 3.056 -13.849 2.745 1.00 92.55 O +ATOM 66 CB ARG A 11 5.763 -12.783 4.313 1.00 92.68 C +ATOM 67 CG ARG A 11 7.126 -12.261 3.904 1.00 88.30 C +ATOM 68 CD ARG A 11 8.216 -12.865 4.761 1.00 84.25 C +ATOM 69 NE ARG A 11 9.526 -12.298 4.456 1.00 80.54 N +ATOM 70 CZ ARG A 11 10.518 -12.948 3.867 1.00 76.58 C +ATOM 71 NH1 ARG A 11 10.372 -14.218 3.514 1.00 74.22 N +ATOM 72 NH2 ARG A 11 11.662 -12.337 3.638 1.00 73.69 N +ATOM 73 N PHE A 12 2.699 -12.922 4.751 1.00 94.05 N +ATOM 74 CA PHE A 12 1.464 -13.647 5.022 1.00 95.18 C +ATOM 75 C PHE A 12 0.446 -12.769 5.739 1.00 95.76 C +ATOM 76 O PHE A 12 -0.563 -13.260 6.240 1.00 93.91 O +ATOM 77 CB PHE A 12 1.759 -14.895 5.859 1.00 94.39 C +ATOM 78 CG PHE A 12 2.742 -15.825 5.205 1.00 90.98 C +ATOM 79 CD1 PHE A 12 2.351 -16.632 4.151 1.00 86.95 C +ATOM 80 CD2 PHE A 12 4.061 -15.869 5.622 1.00 86.30 C +ATOM 81 CE1 PHE A 12 3.264 -17.474 3.522 1.00 86.23 C +ATOM 82 CE2 PHE A 12 4.979 -16.708 4.994 1.00 86.20 C +ATOM 83 CZ PHE A 12 4.575 -17.513 3.949 1.00 87.53 C +ATOM 84 N GLY A 13 0.711 -11.497 5.793 1.00 96.48 N +ATOM 85 CA GLY A 13 -0.125 -10.573 6.530 1.00 96.34 C +ATOM 86 C GLY A 13 -1.136 -9.851 5.671 1.00 96.83 C +ATOM 87 O GLY A 13 -1.182 -10.028 4.454 1.00 96.59 O +ATOM 88 N PRO A 14 -1.960 -9.044 6.311 1.00 96.42 N +ATOM 89 CA PRO A 14 -2.993 -8.299 5.604 1.00 96.45 C +ATOM 90 C PRO A 14 -2.395 -7.162 4.787 1.00 96.61 C +ATOM 91 O PRO A 14 -1.219 -6.830 4.915 1.00 96.14 O +ATOM 92 CB PRO A 14 -3.877 -7.768 6.727 1.00 95.46 C +ATOM 93 CG PRO A 14 -2.932 -7.598 7.858 1.00 93.97 C +ATOM 94 CD PRO A 14 -1.962 -8.743 7.745 1.00 95.29 C +HETATM 95 N HYP A 15 -3.246 -6.589 3.932 1.00 95.35 N +HETATM 96 CA HYP A 15 -2.830 -5.418 3.221 1.00 95.25 C +HETATM 97 C HYP A 15 -2.362 -4.328 4.118 1.00 96.55 C +HETATM 98 O HYP A 15 -2.862 -4.225 5.281 1.00 95.61 O +HETATM 99 CB HYP A 15 -4.075 -5.061 2.401 1.00 94.27 C +HETATM 100 CG HYP A 15 -4.777 -6.382 2.210 1.00 92.38 C +HETATM 101 CD HYP A 15 -4.542 -7.080 3.535 1.00 94.47 C +HETATM 102 OD1 HYP A 15 -4.199 -7.080 1.160 1.00 92.58 O +ATOM 103 N GLY A 16 -1.454 -3.523 3.653 1.00 96.52 N +ATOM 104 CA GLY A 16 -0.978 -2.413 4.422 1.00 96.19 C +ATOM 105 C GLY A 16 -2.063 -1.365 4.594 1.00 96.12 C +ATOM 106 O GLY A 16 -3.147 -1.472 4.015 1.00 95.74 O +ATOM 107 N PRO A 17 -1.769 -0.341 5.390 1.00 95.94 N +ATOM 108 CA PRO A 17 -2.752 0.709 5.615 1.00 95.65 C +ATOM 109 C PRO A 17 -2.959 1.559 4.371 1.00 95.92 C +ATOM 110 O PRO A 17 -2.152 1.538 3.446 1.00 95.20 O +ATOM 111 CB PRO A 17 -2.135 1.519 6.754 1.00 94.34 C +ATOM 112 CG PRO A 17 -0.682 1.301 6.602 1.00 92.65 C +ATOM 113 CD PRO A 17 -0.533 -0.110 6.118 1.00 94.49 C +HETATM 114 N HYP A 18 -4.086 2.281 4.339 1.00 92.65 N +HETATM 115 CA HYP A 18 -4.310 3.194 3.295 1.00 94.09 C +HETATM 116 C HYP A 18 -3.230 4.205 3.128 1.00 94.57 C +HETATM 117 O HYP A 18 -2.593 4.615 4.140 1.00 94.04 O +HETATM 118 CB HYP A 18 -5.669 3.803 3.638 1.00 91.36 C +HETATM 119 CG HYP A 18 -6.356 2.752 4.472 1.00 91.46 C +HETATM 120 CD HYP A 18 -5.204 2.162 5.248 1.00 93.64 C +HETATM 121 OD1 HYP A 18 -6.931 1.773 3.631 1.00 90.00 O +ATOM 122 N GLY A 19 -2.983 4.606 1.925 1.00 93.93 N +ATOM 123 CA GLY A 19 -1.985 5.600 1.655 1.00 93.78 C +ATOM 124 C GLY A 19 -2.381 6.941 2.239 1.00 94.01 C +ATOM 125 O GLY A 19 -3.499 7.117 2.725 1.00 94.45 O +ATOM 126 N PRO A 20 -1.475 7.894 2.197 1.00 91.40 N +ATOM 127 CA PRO A 20 -1.770 9.214 2.736 1.00 90.55 C +ATOM 128 C PRO A 20 -2.766 9.953 1.863 1.00 90.24 C +ATOM 129 O PRO A 20 -2.959 9.619 0.698 1.00 90.95 O +ATOM 130 CB PRO A 20 -0.411 9.901 2.735 1.00 88.63 C +ATOM 131 CG PRO A 20 0.315 9.249 1.622 1.00 85.58 C +ATOM 132 CD PRO A 20 -0.126 7.813 1.650 1.00 88.19 C +HETATM 133 N HYP A 21 -3.410 10.939 2.457 1.00 91.28 N +HETATM 134 CA HYP A 21 -4.289 11.775 1.701 1.00 91.47 C +HETATM 135 C HYP A 21 -3.652 12.486 0.563 1.00 91.27 C +HETATM 136 O HYP A 21 -2.467 12.880 0.679 1.00 94.22 O +HETATM 137 CB HYP A 21 -4.840 12.761 2.746 1.00 89.83 C +HETATM 138 CG HYP A 21 -4.677 12.083 4.079 1.00 88.93 C +HETATM 139 CD HYP A 21 -3.420 11.300 3.873 1.00 93.06 C +HETATM 140 OD1 HYP A 21 -5.770 11.194 4.289 1.00 89.79 O +ATOM 141 N GLY A 22 -4.279 12.565 -0.541 1.00 92.53 N +ATOM 142 CA GLY A 22 -3.779 13.331 -1.644 1.00 91.46 C +ATOM 143 C GLY A 22 -3.876 14.809 -1.304 1.00 91.53 C +ATOM 144 O GLY A 22 -4.447 15.185 -0.283 1.00 91.67 O +ATOM 145 N PRO A 23 -3.350 15.677 -2.151 1.00 94.02 N +ATOM 146 CA PRO A 23 -3.463 17.106 -1.899 1.00 93.36 C +ATOM 147 C PRO A 23 -4.891 17.557 -2.163 1.00 91.83 C +ATOM 148 O PRO A 23 -5.372 17.468 -3.287 1.00 89.04 O +ATOM 149 CB PRO A 23 -2.472 17.718 -2.886 1.00 91.14 C +ATOM 150 CG PRO A 23 -2.395 16.727 -3.986 1.00 88.50 C +ATOM 151 CD PRO A 23 -2.597 15.380 -3.354 1.00 92.23 C +HETATM 152 N HYP A 24 -5.631 17.892 -1.216 1.00 94.05 N +HETATM 153 CA HYP A 24 -7.145 17.850 -1.279 1.00 89.63 C +HETATM 154 C HYP A 24 -7.792 16.731 -1.726 1.00 93.67 C +HETATM 155 O HYP A 24 -8.975 16.368 -1.285 1.00 92.57 O +HETATM 156 CB HYP A 24 -7.612 18.759 -0.225 1.00 89.85 C +HETATM 157 CG HYP A 24 -6.450 19.733 0.003 1.00 89.29 C +HETATM 158 CD HYP A 24 -5.195 18.990 -0.495 1.00 93.46 C +HETATM 159 OD1 HYP A 24 -6.303 20.065 1.359 1.00 91.05 O +HETATM 160 OXT HYP A 24 -8.025 16.731 -3.007 1.00 89.53 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_516.txt b/protein_pdb_516.txt new file mode 100644 index 0000000000000000000000000000000000000000..75ec6743d15d88c0cb10b450b25bc2a302efc88e --- /dev/null +++ b/protein_pdb_516.txt @@ -0,0 +1,163 @@ +ATOM 1 N GLY A 1 9.359 -1.411 -13.083 1.00 85.93 N +ATOM 2 CA GLY A 1 9.531 -0.179 -12.334 1.00 88.73 C +ATOM 3 C GLY A 1 9.524 -0.440 -10.853 1.00 90.54 C +ATOM 4 O GLY A 1 9.360 -1.572 -10.410 1.00 87.79 O +ATOM 5 N PRO A 2 9.681 0.594 -10.001 1.00 89.93 N +ATOM 6 CA PRO A 2 9.700 0.431 -8.553 1.00 91.26 C +ATOM 7 C PRO A 2 8.331 0.075 -8.000 1.00 91.21 C +ATOM 8 O PRO A 2 7.313 0.268 -8.653 1.00 89.88 O +ATOM 9 CB PRO A 2 10.158 1.799 -8.056 1.00 88.19 C +ATOM 10 CG PRO A 2 9.713 2.733 -9.118 1.00 84.24 C +ATOM 11 CD PRO A 2 9.871 1.988 -10.410 1.00 87.23 C +HETATM 12 N HYP A 3 8.341 -0.462 -6.843 1.00 90.56 N +HETATM 13 CA HYP A 3 7.069 -0.736 -6.135 1.00 88.15 C +HETATM 14 C HYP A 3 6.257 0.522 -5.971 1.00 89.59 C +HETATM 15 O HYP A 3 6.833 1.626 -5.858 1.00 92.00 O +HETATM 16 CB HYP A 3 7.552 -1.277 -4.767 1.00 89.00 C +HETATM 17 CG HYP A 3 8.880 -1.930 -5.082 1.00 84.87 C +HETATM 18 CD HYP A 3 9.482 -0.957 -6.119 1.00 87.61 C +HETATM 19 OD1 HYP A 3 8.631 -3.169 -5.682 1.00 88.66 O +ATOM 20 N GLY A 4 4.952 0.335 -6.019 1.00 93.43 N +ATOM 21 CA GLY A 4 4.064 1.447 -5.819 1.00 92.87 C +ATOM 22 C GLY A 4 4.117 1.940 -4.385 1.00 93.61 C +ATOM 23 O GLY A 4 4.719 1.314 -3.514 1.00 93.96 O +ATOM 24 N PRO A 5 3.482 3.079 -4.126 1.00 93.90 N +ATOM 25 CA PRO A 5 3.479 3.633 -2.777 1.00 93.99 C +ATOM 26 C PRO A 5 2.608 2.816 -1.839 1.00 93.60 C +ATOM 27 O PRO A 5 1.765 2.046 -2.270 1.00 92.48 O +ATOM 28 CB PRO A 5 2.919 5.037 -2.977 1.00 92.04 C +ATOM 29 CG PRO A 5 2.038 4.901 -4.167 1.00 90.20 C +ATOM 30 CD PRO A 5 2.728 3.914 -5.061 1.00 92.95 C +HETATM 31 N HYP A 6 2.845 2.997 -0.545 1.00 93.35 N +HETATM 32 CA HYP A 6 2.009 2.358 0.436 1.00 94.48 C +HETATM 33 C HYP A 6 0.581 2.787 0.341 1.00 93.97 C +HETATM 34 O HYP A 6 0.281 3.928 -0.065 1.00 92.43 O +HETATM 35 CB HYP A 6 2.618 2.917 1.780 1.00 90.37 C +HETATM 36 CG HYP A 6 4.040 3.193 1.428 1.00 88.55 C +HETATM 37 CD HYP A 6 3.935 3.749 0.018 1.00 91.80 C +HETATM 38 OD1 HYP A 6 4.764 1.985 1.416 1.00 89.18 O +ATOM 39 N GLY A 7 -0.308 1.866 0.622 1.00 93.82 N +ATOM 40 CA GLY A 7 -1.712 2.167 0.609 1.00 93.06 C +ATOM 41 C GLY A 7 -2.080 3.121 1.731 1.00 93.91 C +ATOM 42 O GLY A 7 -1.261 3.434 2.598 1.00 93.86 O +ATOM 43 N PRO A 8 -3.308 3.594 1.718 1.00 95.54 N +ATOM 44 CA PRO A 8 -3.748 4.505 2.761 1.00 95.55 C +ATOM 45 C PRO A 8 -3.954 3.785 4.082 1.00 95.42 C +ATOM 46 O PRO A 8 -4.091 2.569 4.129 1.00 94.25 O +ATOM 47 CB PRO A 8 -5.063 5.045 2.216 1.00 93.89 C +ATOM 48 CG PRO A 8 -5.579 3.934 1.379 1.00 92.53 C +ATOM 49 CD PRO A 8 -4.362 3.316 0.748 1.00 94.40 C +HETATM 50 N HYP A 9 -3.983 4.556 5.173 1.00 92.37 N +HETATM 51 CA HYP A 9 -4.257 4.005 6.438 1.00 92.48 C +HETATM 52 C HYP A 9 -5.664 3.455 6.506 1.00 92.97 C +HETATM 53 O HYP A 9 -6.567 3.964 5.838 1.00 91.96 O +HETATM 54 CB HYP A 9 -4.183 5.236 7.405 1.00 89.15 C +HETATM 55 CG HYP A 9 -3.283 6.169 6.698 1.00 87.73 C +HETATM 56 CD HYP A 9 -3.602 5.979 5.248 1.00 91.03 C +HETATM 57 OD1 HYP A 9 -1.954 5.780 6.929 1.00 88.03 O +ATOM 58 N GLY A 10 -5.889 2.404 7.231 1.00 93.89 N +ATOM 59 CA GLY A 10 -7.235 1.948 7.509 1.00 91.87 C +ATOM 60 C GLY A 10 -7.923 2.940 8.426 1.00 92.53 C +ATOM 61 O GLY A 10 -7.367 3.986 8.765 1.00 91.49 O +ATOM 62 N GLU A 11 -9.136 2.603 8.858 1.00 92.62 N +ATOM 63 CA GLU A 11 -9.876 3.508 9.732 1.00 93.71 C +ATOM 64 C GLU A 11 -9.011 3.976 10.903 1.00 93.54 C +ATOM 65 O GLU A 11 -8.953 5.164 11.212 1.00 90.79 O +ATOM 66 CB GLU A 11 -11.144 2.816 10.223 1.00 91.73 C +ATOM 67 CG GLU A 11 -12.007 3.699 11.096 1.00 84.44 C +ATOM 68 CD GLU A 11 -13.309 3.027 11.493 1.00 79.06 C +ATOM 69 OE1 GLU A 11 -13.855 2.258 10.683 1.00 73.91 O +ATOM 70 OE2 GLU A 11 -13.780 3.262 12.616 1.00 74.92 O +ATOM 71 N TRP A 12 -8.319 3.025 11.519 1.00 94.70 N +ATOM 72 CA TRP A 12 -7.373 3.322 12.592 1.00 94.82 C +ATOM 73 C TRP A 12 -6.097 2.512 12.423 1.00 94.28 C +ATOM 74 O TRP A 12 -5.349 2.324 13.377 1.00 91.82 O +ATOM 75 CB TRP A 12 -8.004 3.015 13.956 1.00 93.83 C +ATOM 76 CG TRP A 12 -9.258 3.781 14.217 1.00 90.84 C +ATOM 77 CD1 TRP A 12 -10.529 3.299 14.193 1.00 91.22 C +ATOM 78 CD2 TRP A 12 -9.364 5.179 14.519 1.00 90.45 C +ATOM 79 NE1 TRP A 12 -11.429 4.299 14.457 1.00 85.38 N +ATOM 80 CE2 TRP A 12 -10.738 5.467 14.663 1.00 89.22 C +ATOM 81 CE3 TRP A 12 -8.439 6.206 14.683 1.00 86.25 C +ATOM 82 CZ2 TRP A 12 -11.198 6.750 14.965 1.00 88.28 C +ATOM 83 CZ3 TRP A 12 -8.895 7.466 14.977 1.00 84.46 C +ATOM 84 CH2 TRP A 12 -10.257 7.735 15.119 1.00 82.53 C +ATOM 85 N GLY A 13 -5.875 2.023 11.230 1.00 94.80 N +ATOM 86 CA GLY A 13 -4.806 1.073 10.987 1.00 94.10 C +ATOM 87 C GLY A 13 -3.610 1.642 10.267 1.00 94.34 C +ATOM 88 O GLY A 13 -3.589 2.805 9.869 1.00 94.15 O +ATOM 89 N PRO A 14 -2.593 0.806 10.105 1.00 94.61 N +ATOM 90 CA PRO A 14 -1.373 1.214 9.420 1.00 94.27 C +ATOM 91 C PRO A 14 -1.601 1.341 7.923 1.00 94.21 C +ATOM 92 O PRO A 14 -2.613 0.897 7.393 1.00 93.19 O +ATOM 93 CB PRO A 14 -0.402 0.076 9.731 1.00 92.51 C +ATOM 94 CG PRO A 14 -1.288 -1.111 9.854 1.00 91.60 C +ATOM 95 CD PRO A 14 -2.542 -0.601 10.517 1.00 92.81 C +HETATM 96 N HYP A 15 -0.629 1.943 7.293 1.00 94.28 N +HETATM 97 CA HYP A 15 -0.654 1.995 5.848 1.00 94.35 C +HETATM 98 C HYP A 15 -0.676 0.648 5.218 1.00 94.96 C +HETATM 99 O HYP A 15 -0.151 -0.318 5.825 1.00 93.55 O +HETATM 100 CB HYP A 15 0.682 2.734 5.558 1.00 89.73 C +HETATM 101 CG HYP A 15 0.956 3.533 6.820 1.00 87.80 C +HETATM 102 CD HYP A 15 0.465 2.624 7.920 1.00 91.97 C +HETATM 103 OD1 HYP A 15 0.205 4.723 6.814 1.00 89.27 O +ATOM 104 N GLY A 16 -1.293 0.526 4.068 1.00 95.13 N +ATOM 105 CA GLY A 16 -1.296 -0.710 3.346 1.00 94.89 C +ATOM 106 C GLY A 16 0.080 -1.030 2.797 1.00 95.32 C +ATOM 107 O GLY A 16 0.997 -0.211 2.868 1.00 94.93 O +ATOM 108 N PRO A 17 0.230 -2.233 2.243 1.00 94.21 N +ATOM 109 CA PRO A 17 1.515 -2.630 1.694 1.00 94.25 C +ATOM 110 C PRO A 17 1.831 -1.874 0.411 1.00 94.51 C +ATOM 111 O PRO A 17 0.950 -1.303 -0.221 1.00 93.47 O +ATOM 112 CB PRO A 17 1.344 -4.121 1.436 1.00 92.64 C +ATOM 113 CG PRO A 17 -0.113 -4.272 1.189 1.00 91.37 C +ATOM 114 CD PRO A 17 -0.778 -3.283 2.101 1.00 93.26 C +HETATM 115 N HYP A 18 3.099 -1.878 0.037 1.00 92.06 N +HETATM 116 CA HYP A 18 3.496 -1.307 -1.191 1.00 93.68 C +HETATM 117 C HYP A 18 2.824 -1.959 -2.364 1.00 92.87 C +HETATM 118 O HYP A 18 2.507 -3.180 -2.320 1.00 92.54 O +HETATM 119 CB HYP A 18 5.013 -1.621 -1.243 1.00 88.35 C +HETATM 120 CG HYP A 18 5.416 -1.706 0.197 1.00 87.97 C +HETATM 121 CD HYP A 18 4.186 -2.385 0.815 1.00 92.43 C +HETATM 122 OD1 HYP A 18 5.536 -0.390 0.736 1.00 88.63 O +ATOM 123 N GLY A 19 2.557 -1.195 -3.390 1.00 91.93 N +ATOM 124 CA GLY A 19 1.990 -1.721 -4.597 1.00 91.78 C +ATOM 125 C GLY A 19 2.995 -2.571 -5.352 1.00 92.11 C +ATOM 126 O GLY A 19 4.177 -2.619 -5.007 1.00 92.88 O +ATOM 127 N PRO A 20 2.536 -3.250 -6.391 1.00 87.53 N +ATOM 128 CA PRO A 20 3.418 -4.099 -7.171 1.00 88.28 C +ATOM 129 C PRO A 20 4.375 -3.270 -8.016 1.00 87.94 C +ATOM 130 O PRO A 20 4.176 -2.083 -8.225 1.00 89.06 O +ATOM 131 CB PRO A 20 2.448 -4.892 -8.045 1.00 85.53 C +ATOM 132 CG PRO A 20 1.291 -3.974 -8.207 1.00 81.78 C +ATOM 133 CD PRO A 20 1.166 -3.250 -6.897 1.00 85.31 C +HETATM 134 N HYP A 21 5.448 -3.919 -8.474 1.00 88.67 N +HETATM 135 CA HYP A 21 6.327 -3.279 -9.386 1.00 87.59 C +HETATM 136 C HYP A 21 5.672 -2.727 -10.621 1.00 89.29 C +HETATM 137 O HYP A 21 4.687 -3.322 -11.076 1.00 91.21 O +HETATM 138 CB HYP A 21 7.368 -4.351 -9.738 1.00 86.17 C +HETATM 139 CG HYP A 21 7.388 -5.267 -8.529 1.00 83.83 C +HETATM 140 CD HYP A 21 5.924 -5.265 -8.097 1.00 88.40 C +HETATM 141 OD1 HYP A 21 8.147 -4.652 -7.483 1.00 86.11 O +ATOM 142 N GLY A 22 6.111 -1.590 -11.081 1.00 88.93 N +ATOM 143 CA GLY A 22 5.573 -1.002 -12.269 1.00 86.79 C +ATOM 144 C GLY A 22 5.959 -1.806 -13.506 1.00 86.50 C +ATOM 145 O GLY A 22 6.656 -2.814 -13.411 1.00 86.57 O +ATOM 146 N PRO A 23 5.520 -1.357 -14.679 1.00 89.92 N +ATOM 147 CA PRO A 23 5.843 -2.079 -15.907 1.00 89.18 C +ATOM 148 C PRO A 23 7.333 -2.040 -16.185 1.00 87.62 C +ATOM 149 O PRO A 23 8.050 -1.166 -15.713 1.00 83.27 O +ATOM 150 CB PRO A 23 5.045 -1.346 -16.973 1.00 84.84 C +ATOM 151 CG PRO A 23 4.873 0.020 -16.422 1.00 82.28 C +ATOM 152 CD PRO A 23 4.745 -0.163 -14.935 1.00 86.53 C +HETATM 153 N HYP A 24 7.817 -2.939 -16.913 1.00 91.98 N +HETATM 154 CA HYP A 24 9.241 -3.003 -17.159 1.00 85.30 C +HETATM 155 C HYP A 24 9.992 -1.796 -16.869 1.00 89.36 C +HETATM 156 O HYP A 24 10.201 -0.956 -17.766 1.00 83.49 O +HETATM 157 CB HYP A 24 9.442 -3.673 -18.455 1.00 84.40 C +HETATM 158 CG HYP A 24 8.071 -4.161 -18.903 1.00 85.44 C +HETATM 159 CD HYP A 24 7.057 -3.597 -17.925 1.00 88.73 C +HETATM 160 OD1 HYP A 24 7.998 -5.575 -18.742 1.00 82.62 O +HETATM 161 OXT HYP A 24 10.536 -1.717 -15.738 1.00 82.61 O +TER 162 HYP A 24 +END diff --git a/protein_pdb_517.txt b/protein_pdb_517.txt new file mode 100644 index 0000000000000000000000000000000000000000..c475958101bc36f1e2f605e565acceacc0c5a270 --- /dev/null +++ b/protein_pdb_517.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -5.359 15.272 1.172 1.00 83.34 N +ATOM 2 CA GLY A 1 -6.120 14.128 0.770 1.00 83.83 C +ATOM 3 C GLY A 1 -6.056 12.987 1.764 1.00 84.83 C +ATOM 4 O GLY A 1 -5.211 12.990 2.666 1.00 82.30 O +ATOM 5 N PRO A 2 -6.866 12.030 1.628 1.00 85.74 N +ATOM 6 CA PRO A 2 -6.914 10.893 2.534 1.00 85.98 C +ATOM 7 C PRO A 2 -5.816 9.880 2.241 1.00 85.13 C +ATOM 8 O PRO A 2 -5.192 9.909 1.187 1.00 82.91 O +ATOM 9 CB PRO A 2 -8.296 10.300 2.259 1.00 82.70 C +ATOM 10 CG PRO A 2 -8.539 10.627 0.833 1.00 80.03 C +ATOM 11 CD PRO A 2 -7.911 11.972 0.609 1.00 81.44 C +HETATM 12 N HYP A 3 -5.615 8.972 3.218 1.00 84.07 N +HETATM 13 CA HYP A 3 -4.655 7.910 3.002 1.00 88.76 C +HETATM 14 C HYP A 3 -5.066 7.015 1.855 1.00 87.48 C +HETATM 15 O HYP A 3 -6.277 6.858 1.595 1.00 88.05 O +HETATM 16 CB HYP A 3 -4.724 7.121 4.345 1.00 85.78 C +HETATM 17 CG HYP A 3 -5.130 8.178 5.338 1.00 81.94 C +HETATM 18 CD HYP A 3 -6.129 9.027 4.537 1.00 81.82 C +HETATM 19 OD1 HYP A 3 -4.015 8.951 5.678 1.00 85.50 O +ATOM 20 N GLY A 4 -4.102 6.496 1.153 1.00 86.70 N +ATOM 21 CA GLY A 4 -4.371 5.578 0.083 1.00 85.15 C +ATOM 22 C GLY A 4 -4.897 4.257 0.605 1.00 86.41 C +ATOM 23 O GLY A 4 -4.913 4.007 1.811 1.00 85.25 O +ATOM 24 N PRO A 5 -5.336 3.383 -0.297 1.00 88.84 N +ATOM 25 CA PRO A 5 -5.872 2.090 0.103 1.00 88.96 C +ATOM 26 C PRO A 5 -4.768 1.151 0.576 1.00 87.94 C +ATOM 27 O PRO A 5 -3.592 1.369 0.318 1.00 85.51 O +ATOM 28 CB PRO A 5 -6.528 1.571 -1.169 1.00 86.89 C +ATOM 29 CG PRO A 5 -5.741 2.203 -2.260 1.00 84.56 C +ATOM 30 CD PRO A 5 -5.342 3.557 -1.750 1.00 86.91 C +HETATM 31 N HYP A 6 -5.183 0.114 1.280 1.00 86.78 N +HETATM 32 CA HYP A 6 -4.236 -0.933 1.674 1.00 90.48 C +HETATM 33 C HYP A 6 -3.529 -1.513 0.490 1.00 88.07 C +HETATM 34 O HYP A 6 -4.115 -1.596 -0.613 1.00 87.76 O +HETATM 35 CB HYP A 6 -5.142 -1.934 2.349 1.00 83.62 C +HETATM 36 CG HYP A 6 -6.301 -1.127 2.840 1.00 82.72 C +HETATM 37 CD HYP A 6 -6.497 -0.141 1.757 1.00 84.24 C +HETATM 38 OD1 HYP A 6 -5.967 -0.469 4.029 1.00 84.57 O +ATOM 39 N GLY A 7 -2.290 -1.843 0.661 1.00 88.62 N +ATOM 40 CA GLY A 7 -1.510 -2.431 -0.396 1.00 86.75 C +ATOM 41 C GLY A 7 -2.004 -3.816 -0.758 1.00 86.80 C +ATOM 42 O GLY A 7 -2.851 -4.400 -0.081 1.00 85.83 O +ATOM 43 N PRO A 8 -1.466 -4.361 -1.833 1.00 87.84 N +ATOM 44 CA PRO A 8 -1.877 -5.692 -2.268 1.00 86.95 C +ATOM 45 C PRO A 8 -1.467 -6.771 -1.280 1.00 86.42 C +ATOM 46 O PRO A 8 -0.491 -6.621 -0.547 1.00 84.08 O +ATOM 47 CB PRO A 8 -1.152 -5.902 -3.592 1.00 85.01 C +ATOM 48 CG PRO A 8 -0.555 -4.600 -3.941 1.00 84.72 C +ATOM 49 CD PRO A 8 -0.460 -3.781 -2.694 1.00 86.27 C +HETATM 50 N HYP A 9 -2.184 -7.901 -1.309 1.00 84.27 N +HETATM 51 CA HYP A 9 -1.865 -8.993 -0.481 1.00 86.27 C +HETATM 52 C HYP A 9 -0.491 -9.563 -0.846 1.00 84.88 C +HETATM 53 O HYP A 9 -0.116 -9.551 -2.008 1.00 84.76 O +HETATM 54 CB HYP A 9 -2.876 -10.061 -0.909 1.00 78.86 C +HETATM 55 CG HYP A 9 -4.002 -9.311 -1.466 1.00 77.65 C +HETATM 56 CD HYP A 9 -3.375 -8.120 -2.109 1.00 82.79 C +HETATM 57 OD1 HYP A 9 -4.857 -8.868 -0.435 1.00 78.19 O +ATOM 58 N GLY A 10 0.257 -10.004 0.091 1.00 85.08 N +ATOM 59 CA GLY A 10 1.560 -10.582 -0.158 1.00 82.05 C +ATOM 60 C GLY A 10 1.519 -12.070 -0.442 1.00 82.19 C +ATOM 61 O GLY A 10 2.573 -12.678 -0.633 1.00 79.20 O +ATOM 62 N GLY A 11 0.350 -12.663 -0.453 1.00 80.83 N +ATOM 63 CA GLY A 11 0.213 -14.103 -0.613 1.00 79.81 C +ATOM 64 C GLY A 11 -0.132 -14.727 0.710 1.00 81.27 C +ATOM 65 O GLY A 11 -1.258 -15.173 0.926 1.00 76.97 O +ATOM 66 N HIS A 12 0.836 -14.744 1.595 1.00 77.90 N +ATOM 67 CA HIS A 12 0.590 -15.165 2.970 1.00 82.87 C +ATOM 68 C HIS A 12 0.327 -13.984 3.880 1.00 84.69 C +ATOM 69 O HIS A 12 -0.347 -14.123 4.897 1.00 79.18 O +ATOM 70 CB HIS A 12 1.791 -15.953 3.500 1.00 79.62 C +ATOM 71 CG HIS A 12 1.814 -17.382 3.060 1.00 76.17 C +ATOM 72 ND1 HIS A 12 2.615 -17.840 2.055 1.00 71.99 N +ATOM 73 CD2 HIS A 12 1.124 -18.454 3.506 1.00 67.05 C +ATOM 74 CE1 HIS A 12 2.408 -19.141 1.886 1.00 69.90 C +ATOM 75 NE2 HIS A 12 1.516 -19.534 2.758 1.00 69.13 N +ATOM 76 N GLY A 13 0.882 -12.840 3.543 1.00 81.30 N +ATOM 77 CA GLY A 13 0.770 -11.678 4.395 1.00 79.64 C +ATOM 78 C GLY A 13 -0.511 -10.899 4.195 1.00 80.81 C +ATOM 79 O GLY A 13 -1.230 -11.089 3.211 1.00 79.03 O +ATOM 80 N PRO A 14 -0.810 -10.031 5.142 1.00 82.71 N +ATOM 81 CA PRO A 14 -1.983 -9.170 5.027 1.00 83.08 C +ATOM 82 C PRO A 14 -1.756 -8.082 3.987 1.00 83.01 C +ATOM 83 O PRO A 14 -0.651 -7.894 3.493 1.00 80.50 O +ATOM 84 CB PRO A 14 -2.128 -8.580 6.424 1.00 80.75 C +ATOM 85 CG PRO A 14 -0.730 -8.519 6.927 1.00 79.53 C +ATOM 86 CD PRO A 14 -0.043 -9.732 6.356 1.00 78.88 C +HETATM 87 N HYP A 15 -2.818 -7.401 3.680 1.00 83.16 N +HETATM 88 CA HYP A 15 -2.691 -6.240 2.835 1.00 86.08 C +HETATM 89 C HYP A 15 -1.673 -5.309 3.352 1.00 86.78 C +HETATM 90 O HYP A 15 -1.471 -5.244 4.590 1.00 85.22 O +HETATM 91 CB HYP A 15 -4.113 -5.689 2.849 1.00 81.93 C +HETATM 92 CG HYP A 15 -4.946 -6.918 3.041 1.00 76.12 C +HETATM 93 CD HYP A 15 -4.158 -7.706 4.045 1.00 81.49 C +HETATM 94 OD1 HYP A 15 -5.098 -7.611 1.860 1.00 81.43 O +ATOM 95 N GLY A 16 -1.030 -4.597 2.495 1.00 84.81 N +ATOM 96 CA GLY A 16 -0.067 -3.611 2.909 1.00 83.75 C +ATOM 97 C GLY A 16 -0.732 -2.470 3.645 1.00 85.03 C +ATOM 98 O GLY A 16 -1.962 -2.380 3.709 1.00 83.53 O +ATOM 99 N PRO A 17 0.081 -1.601 4.212 1.00 86.50 N +ATOM 100 CA PRO A 17 -0.470 -0.471 4.948 1.00 86.28 C +ATOM 101 C PRO A 17 -1.127 0.532 4.011 1.00 87.02 C +ATOM 102 O PRO A 17 -0.903 0.523 2.805 1.00 85.30 O +ATOM 103 CB PRO A 17 0.756 0.132 5.639 1.00 84.33 C +ATOM 104 CG PRO A 17 1.892 -0.280 4.787 1.00 83.21 C +ATOM 105 CD PRO A 17 1.533 -1.613 4.214 1.00 83.95 C +HETATM 106 N HYP A 18 -1.970 1.368 4.565 1.00 85.59 N +HETATM 107 CA HYP A 18 -2.547 2.432 3.830 1.00 89.78 C +HETATM 108 C HYP A 18 -1.540 3.260 3.144 1.00 87.65 C +HETATM 109 O HYP A 18 -0.419 3.437 3.671 1.00 88.19 O +HETATM 110 CB HYP A 18 -3.331 3.180 4.867 1.00 84.47 C +HETATM 111 CG HYP A 18 -3.672 2.127 5.897 1.00 84.39 C +HETATM 112 CD HYP A 18 -2.425 1.307 5.927 1.00 86.17 C +HETATM 113 OD1 HYP A 18 -4.759 1.355 5.471 1.00 84.12 O +ATOM 114 N GLY A 19 -1.846 3.727 1.990 1.00 86.30 N +ATOM 115 CA GLY A 19 -0.963 4.595 1.258 1.00 85.49 C +ATOM 116 C GLY A 19 -0.755 5.910 1.969 1.00 86.91 C +ATOM 117 O GLY A 19 -1.400 6.196 2.978 1.00 86.43 O +ATOM 118 N PRO A 20 0.153 6.708 1.457 1.00 81.71 N +ATOM 119 CA PRO A 20 0.447 7.980 2.096 1.00 82.15 C +ATOM 120 C PRO A 20 -0.698 8.969 1.945 1.00 81.21 C +ATOM 121 O PRO A 20 -1.530 8.844 1.047 1.00 79.91 O +ATOM 122 CB PRO A 20 1.695 8.466 1.362 1.00 79.89 C +ATOM 123 CG PRO A 20 1.589 7.825 0.027 1.00 77.91 C +ATOM 124 CD PRO A 20 0.942 6.488 0.261 1.00 79.85 C +HETATM 125 N HYP A 21 -0.733 9.926 2.820 1.00 87.16 N +HETATM 126 CA HYP A 21 -1.689 10.981 2.722 1.00 88.88 C +HETATM 127 C HYP A 21 -1.574 11.742 1.444 1.00 87.26 C +HETATM 128 O HYP A 21 -0.441 11.963 0.974 1.00 88.03 O +HETATM 129 CB HYP A 21 -1.309 11.884 3.892 1.00 84.03 C +HETATM 130 CG HYP A 21 -0.635 10.973 4.882 1.00 81.97 C +HETATM 131 CD HYP A 21 0.103 10.044 4.009 1.00 85.68 C +HETATM 132 OD1 HYP A 21 -1.590 10.249 5.642 1.00 85.58 O +ATOM 133 N GLY A 22 -2.648 12.038 0.831 1.00 85.41 N +ATOM 134 CA GLY A 22 -2.629 12.859 -0.344 1.00 84.06 C +ATOM 135 C GLY A 22 -2.289 14.294 0.014 1.00 84.94 C +ATOM 136 O GLY A 22 -2.249 14.658 1.188 1.00 83.72 O +ATOM 137 N PRO A 23 -2.056 15.111 -0.986 1.00 84.91 N +ATOM 138 CA PRO A 23 -1.800 16.518 -0.706 1.00 85.36 C +ATOM 139 C PRO A 23 -3.088 17.202 -0.285 1.00 83.93 C +ATOM 140 O PRO A 23 -4.125 17.014 -0.918 1.00 80.53 O +ATOM 141 CB PRO A 23 -1.278 17.053 -2.035 1.00 81.97 C +ATOM 142 CG PRO A 23 -1.877 16.156 -3.054 1.00 79.07 C +ATOM 143 CD PRO A 23 -2.012 14.805 -2.398 1.00 80.89 C +HETATM 144 N HYP A 24 -3.103 17.835 0.775 1.00 83.87 N +HETATM 145 CA HYP A 24 -4.364 18.287 1.280 1.00 79.22 C +HETATM 146 C HYP A 24 -5.454 17.398 1.297 1.00 83.39 C +HETATM 147 O HYP A 24 -6.465 17.513 0.541 1.00 81.13 O +HETATM 148 CB HYP A 24 -4.193 19.413 2.151 1.00 79.01 C +HETATM 149 CG HYP A 24 -2.729 19.795 1.962 1.00 81.46 C +HETATM 150 CD HYP A 24 -2.092 18.739 1.068 1.00 83.58 C +HETATM 151 OD1 HYP A 24 -2.042 19.799 3.198 1.00 82.26 O +HETATM 152 OXT HYP A 24 -5.852 16.788 2.411 1.00 78.04 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_518.txt b/protein_pdb_518.txt new file mode 100644 index 0000000000000000000000000000000000000000..a61a02b44d8ad234f1978b0228654a830a6b0da9 --- /dev/null +++ b/protein_pdb_518.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 32.926 -12.334 -5.159 1.00 92.44 N +ATOM 2 CA GLY A 1 31.802 -13.211 -4.873 1.00 93.80 C +ATOM 3 C GLY A 1 30.549 -12.776 -5.604 1.00 94.90 C +ATOM 4 O GLY A 1 30.547 -11.742 -6.277 1.00 93.34 O +ATOM 5 N PRO A 2 29.473 -13.519 -5.496 1.00 95.21 N +ATOM 6 CA PRO A 2 28.222 -13.144 -6.159 1.00 95.87 C +ATOM 7 C PRO A 2 27.601 -11.913 -5.511 1.00 96.11 C +ATOM 8 O PRO A 2 27.902 -11.576 -4.373 1.00 94.77 O +ATOM 9 CB PRO A 2 27.337 -14.377 -5.988 1.00 94.03 C +ATOM 10 CG PRO A 2 27.869 -15.047 -4.772 1.00 91.69 C +ATOM 11 CD PRO A 2 29.346 -14.776 -4.764 1.00 93.68 C +HETATM 12 N HYP A 3 26.781 -11.238 -6.247 1.00 96.97 N +HETATM 13 CA HYP A 3 26.042 -10.103 -5.732 1.00 96.65 C +HETATM 14 C HYP A 3 25.213 -10.458 -4.522 1.00 97.77 C +HETATM 15 O HYP A 3 24.770 -11.618 -4.422 1.00 96.32 O +HETATM 16 CB HYP A 3 25.212 -9.625 -6.880 1.00 95.85 C +HETATM 17 CG HYP A 3 25.873 -10.175 -8.101 1.00 94.66 C +HETATM 18 CD HYP A 3 26.447 -11.495 -7.627 1.00 96.04 C +HETATM 19 OD1 HYP A 3 26.896 -9.338 -8.563 1.00 94.57 O +ATOM 20 N GLY A 4 25.024 -9.516 -3.640 1.00 97.44 N +ATOM 21 CA GLY A 4 24.199 -9.747 -2.481 1.00 97.15 C +ATOM 22 C GLY A 4 22.741 -9.902 -2.872 1.00 97.42 C +ATOM 23 O GLY A 4 22.358 -9.645 -4.018 1.00 97.03 O +ATOM 24 N PRO A 5 21.907 -10.307 -1.923 1.00 97.21 N +ATOM 25 CA PRO A 5 20.484 -10.494 -2.221 1.00 97.17 C +ATOM 26 C PRO A 5 19.789 -9.157 -2.419 1.00 97.30 C +ATOM 27 O PRO A 5 20.258 -8.116 -1.964 1.00 96.86 O +ATOM 28 CB PRO A 5 19.958 -11.235 -0.994 1.00 96.06 C +ATOM 29 CG PRO A 5 20.865 -10.792 0.100 1.00 94.80 C +ATOM 30 CD PRO A 5 22.225 -10.628 -0.533 1.00 96.39 C +HETATM 31 N HYP A 6 18.683 -9.182 -3.097 1.00 97.57 N +HETATM 32 CA HYP A 6 17.831 -7.988 -3.234 1.00 97.05 C +HETATM 33 C HYP A 6 17.393 -7.432 -1.920 1.00 97.99 C +HETATM 34 O HYP A 6 17.243 -8.204 -0.963 1.00 96.93 O +HETATM 35 CB HYP A 6 16.658 -8.481 -4.065 1.00 95.78 C +HETATM 36 CG HYP A 6 17.181 -9.673 -4.801 1.00 95.07 C +HETATM 37 CD HYP A 6 18.141 -10.279 -3.815 1.00 96.44 C +HETATM 38 OD1 HYP A 6 17.841 -9.283 -5.978 1.00 93.19 O +ATOM 39 N GLY A 7 17.216 -6.147 -1.840 1.00 97.41 N +ATOM 40 CA GLY A 7 16.742 -5.531 -0.621 1.00 97.26 C +ATOM 41 C GLY A 7 15.321 -5.954 -0.308 1.00 97.50 C +ATOM 42 O GLY A 7 14.644 -6.580 -1.127 1.00 97.39 O +ATOM 43 N PRO A 8 14.849 -5.599 0.892 1.00 97.30 N +ATOM 44 CA PRO A 8 13.490 -5.969 1.286 1.00 97.26 C +ATOM 45 C PRO A 8 12.454 -5.193 0.483 1.00 97.31 C +ATOM 46 O PRO A 8 12.717 -4.104 -0.019 1.00 96.68 O +ATOM 47 CB PRO A 8 13.441 -5.613 2.767 1.00 96.40 C +ATOM 48 CG PRO A 8 14.445 -4.527 2.907 1.00 95.35 C +ATOM 49 CD PRO A 8 15.545 -4.855 1.932 1.00 96.81 C +HETATM 50 N HYP A 9 11.274 -5.704 0.375 1.00 97.58 N +HETATM 51 CA HYP A 9 10.152 -5.042 -0.272 1.00 97.09 C +HETATM 52 C HYP A 9 9.782 -3.805 0.442 1.00 97.79 C +HETATM 53 O HYP A 9 9.964 -3.705 1.653 1.00 96.27 O +HETATM 54 CB HYP A 9 9.011 -6.086 -0.219 1.00 95.91 C +HETATM 55 CG HYP A 9 9.739 -7.391 -0.160 1.00 95.42 C +HETATM 56 CD HYP A 9 10.935 -7.066 0.676 1.00 96.60 C +HETATM 57 OD1 HYP A 9 10.150 -7.773 -1.461 1.00 93.16 O +ATOM 58 N GLY A 10 9.259 -2.827 -0.268 1.00 96.70 N +ATOM 59 CA GLY A 10 8.797 -1.605 0.344 1.00 96.15 C +ATOM 60 C GLY A 10 7.605 -1.861 1.254 1.00 96.46 C +ATOM 61 O GLY A 10 6.981 -2.923 1.224 1.00 95.74 O +ATOM 62 N THR A 11 7.274 -0.853 2.066 1.00 96.36 N +ATOM 63 CA THR A 11 6.137 -0.973 2.971 1.00 95.68 C +ATOM 64 C THR A 11 4.829 -0.856 2.204 1.00 95.54 C +ATOM 65 O THR A 11 4.745 -0.220 1.154 1.00 94.12 O +ATOM 66 CB THR A 11 6.194 0.099 4.065 1.00 93.89 C +ATOM 67 OG1 THR A 11 6.168 1.383 3.461 1.00 90.59 O +ATOM 68 CG2 THR A 11 7.453 -0.043 4.899 1.00 88.84 C +ATOM 69 N LEU A 12 3.795 -1.482 2.743 1.00 96.24 N +ATOM 70 CA LEU A 12 2.472 -1.391 2.134 1.00 95.88 C +ATOM 71 C LEU A 12 1.983 0.052 2.215 1.00 96.14 C +ATOM 72 O LEU A 12 2.186 0.727 3.229 1.00 94.22 O +ATOM 73 CB LEU A 12 1.496 -2.328 2.859 1.00 93.92 C +ATOM 74 CG LEU A 12 0.079 -2.426 2.285 1.00 87.94 C +ATOM 75 CD1 LEU A 12 0.104 -3.034 0.902 1.00 85.54 C +ATOM 76 CD2 LEU A 12 -0.804 -3.253 3.207 1.00 82.24 C +ATOM 77 N GLY A 13 1.366 0.516 1.134 1.00 96.26 N +ATOM 78 CA GLY A 13 0.866 1.873 1.111 1.00 95.97 C +ATOM 79 C GLY A 13 -0.255 2.098 2.106 1.00 96.71 C +ATOM 80 O GLY A 13 -0.810 1.152 2.668 1.00 96.36 O +ATOM 81 N PRO A 14 -0.613 3.363 2.343 1.00 96.63 N +ATOM 82 CA PRO A 14 -1.673 3.670 3.294 1.00 96.87 C +ATOM 83 C PRO A 14 -3.036 3.229 2.770 1.00 97.22 C +ATOM 84 O PRO A 14 -3.226 3.061 1.570 1.00 96.82 O +ATOM 85 CB PRO A 14 -1.596 5.192 3.441 1.00 95.80 C +ATOM 86 CG PRO A 14 -1.038 5.646 2.136 1.00 94.56 C +ATOM 87 CD PRO A 14 -0.060 4.574 1.727 1.00 95.77 C +HETATM 88 N HYP A 15 -3.995 3.071 3.656 1.00 97.08 N +HETATM 89 CA HYP A 15 -5.366 2.760 3.285 1.00 96.15 C +HETATM 90 C HYP A 15 -5.965 3.802 2.412 1.00 97.75 C +HETATM 91 O HYP A 15 -5.568 4.982 2.514 1.00 96.14 O +HETATM 92 CB HYP A 15 -6.066 2.621 4.616 1.00 96.38 C +HETATM 93 CG HYP A 15 -4.955 2.249 5.572 1.00 94.60 C +HETATM 94 CD HYP A 15 -3.804 3.056 5.066 1.00 95.68 C +HETATM 95 OD1 HYP A 15 -4.649 0.881 5.499 1.00 93.76 O +ATOM 96 N GLY A 16 -6.845 3.450 1.548 1.00 97.44 N +ATOM 97 CA GLY A 16 -7.531 4.413 0.729 1.00 97.09 C +ATOM 98 C GLY A 16 -8.464 5.283 1.557 1.00 97.23 C +ATOM 99 O GLY A 16 -8.664 5.045 2.755 1.00 96.97 O +ATOM 100 N PRO A 17 -9.052 6.307 0.925 1.00 96.32 N +ATOM 101 CA PRO A 17 -9.956 7.197 1.646 1.00 96.06 C +ATOM 102 C PRO A 17 -11.255 6.495 2.018 1.00 96.02 C +ATOM 103 O PRO A 17 -11.625 5.494 1.423 1.00 94.90 O +ATOM 104 CB PRO A 17 -10.193 8.336 0.654 1.00 94.78 C +ATOM 105 CG PRO A 17 -10.004 7.693 -0.670 1.00 94.07 C +ATOM 106 CD PRO A 17 -8.910 6.681 -0.480 1.00 95.57 C +HETATM 107 N HYP A 18 -11.969 7.034 2.990 1.00 96.95 N +HETATM 108 CA HYP A 18 -13.273 6.517 3.376 1.00 95.97 C +HETATM 109 C HYP A 18 -14.248 6.553 2.245 1.00 97.15 C +HETATM 110 O HYP A 18 -14.181 7.468 1.398 1.00 95.77 O +HETATM 111 CB HYP A 18 -13.680 7.423 4.514 1.00 95.65 C +HETATM 112 CG HYP A 18 -12.400 7.970 5.073 1.00 94.48 C +HETATM 113 CD HYP A 18 -11.533 8.098 3.847 1.00 95.88 C +HETATM 114 OD1 HYP A 18 -11.798 7.056 5.972 1.00 93.68 O +ATOM 115 N GLY A 19 -15.108 5.571 2.163 1.00 95.52 N +ATOM 116 CA GLY A 19 -16.112 5.543 1.134 1.00 95.36 C +ATOM 117 C GLY A 19 -17.127 6.657 1.329 1.00 95.92 C +ATOM 118 O GLY A 19 -17.129 7.350 2.348 1.00 95.54 O +ATOM 119 N PRO A 20 -18.014 6.841 0.351 1.00 95.61 N +ATOM 120 CA PRO A 20 -19.027 7.888 0.455 1.00 95.38 C +ATOM 121 C PRO A 20 -20.069 7.543 1.501 1.00 95.51 C +ATOM 122 O PRO A 20 -20.231 6.388 1.880 1.00 94.29 O +ATOM 123 CB PRO A 20 -19.622 7.934 -0.958 1.00 93.81 C +ATOM 124 CG PRO A 20 -19.415 6.562 -1.473 1.00 92.52 C +ATOM 125 CD PRO A 20 -18.109 6.089 -0.901 1.00 94.73 C +HETATM 126 N HYP A 21 -20.809 8.549 1.969 1.00 95.86 N +HETATM 127 CA HYP A 21 -21.864 8.332 2.915 1.00 94.69 C +HETATM 128 C HYP A 21 -22.947 7.433 2.390 1.00 96.69 C +HETATM 129 O HYP A 21 -23.211 7.446 1.179 1.00 95.09 O +HETATM 130 CB HYP A 21 -22.428 9.738 3.174 1.00 94.15 C +HETATM 131 CG HYP A 21 -21.290 10.686 2.863 1.00 93.03 C +HETATM 132 CD HYP A 21 -20.585 9.973 1.728 1.00 94.57 C +HETATM 133 OD1 HYP A 21 -20.400 10.785 3.972 1.00 91.67 O +ATOM 134 N GLY A 22 -23.519 6.594 3.232 1.00 92.74 N +ATOM 135 CA GLY A 22 -24.588 5.723 2.822 1.00 92.18 C +ATOM 136 C GLY A 22 -25.830 6.516 2.435 1.00 92.60 C +ATOM 137 O GLY A 22 -25.926 7.714 2.696 1.00 91.31 O +ATOM 138 N PRO A 23 -26.830 5.847 1.834 1.00 92.93 N +ATOM 139 CA PRO A 23 -28.051 6.533 1.431 1.00 93.48 C +ATOM 140 C PRO A 23 -28.891 6.894 2.641 1.00 93.14 C +ATOM 141 O PRO A 23 -28.732 6.331 3.724 1.00 89.65 O +ATOM 142 CB PRO A 23 -28.750 5.515 0.536 1.00 90.45 C +ATOM 143 CG PRO A 23 -28.280 4.208 1.054 1.00 87.47 C +ATOM 144 CD PRO A 23 -26.852 4.425 1.482 1.00 90.52 C +HETATM 145 N HYP A 24 -29.860 7.801 2.488 1.00 92.79 N +HETATM 146 CA HYP A 24 -30.711 8.137 3.614 1.00 90.21 C +HETATM 147 C HYP A 24 -31.687 6.982 3.823 1.00 91.26 C +HETATM 148 O HYP A 24 -31.749 6.545 4.928 1.00 87.91 O +HETATM 149 CB HYP A 24 -31.561 9.344 3.071 1.00 90.54 C +HETATM 150 CG HYP A 24 -30.840 9.915 1.913 1.00 89.20 C +HETATM 151 CD HYP A 24 -30.029 8.724 1.379 1.00 91.65 C +HETATM 152 OD1 HYP A 24 -29.915 10.887 2.373 1.00 85.83 O +HETATM 153 OXT HYP A 24 -32.326 6.538 2.823 1.00 84.30 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_519.txt b/protein_pdb_519.txt new file mode 100644 index 0000000000000000000000000000000000000000..b3571e3b0b205615252e4e061e36ddde677338ab --- /dev/null +++ b/protein_pdb_519.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 9.554 -10.399 -3.309 1.00 89.94 N +ATOM 2 CA GLY A 1 8.232 -10.142 -3.772 1.00 90.33 C +ATOM 3 C GLY A 1 7.991 -8.717 -4.223 1.00 90.83 C +ATOM 4 O GLY A 1 8.825 -7.837 -4.005 1.00 88.67 O +ATOM 5 N PRO A 2 6.867 -8.492 -4.816 1.00 88.54 N +ATOM 6 CA PRO A 2 6.523 -7.167 -5.299 1.00 88.78 C +ATOM 7 C PRO A 2 6.113 -6.242 -4.175 1.00 88.73 C +ATOM 8 O PRO A 2 5.843 -6.673 -3.056 1.00 86.69 O +ATOM 9 CB PRO A 2 5.349 -7.448 -6.239 1.00 85.67 C +ATOM 10 CG PRO A 2 4.712 -8.652 -5.645 1.00 81.36 C +ATOM 11 CD PRO A 2 5.847 -9.481 -5.121 1.00 82.76 C +HETATM 12 N HYP A 3 6.058 -4.974 -4.505 1.00 88.97 N +HETATM 13 CA HYP A 3 5.624 -3.986 -3.520 1.00 86.06 C +HETATM 14 C HYP A 3 4.191 -4.213 -3.101 1.00 87.88 C +HETATM 15 O HYP A 3 3.394 -4.765 -3.903 1.00 91.85 O +HETATM 16 CB HYP A 3 5.731 -2.667 -4.321 1.00 88.22 C +HETATM 17 CG HYP A 3 6.789 -2.944 -5.365 1.00 86.31 C +HETATM 18 CD HYP A 3 6.511 -4.430 -5.747 1.00 89.11 C +HETATM 19 OD1 HYP A 3 8.044 -2.861 -4.764 1.00 86.92 O +ATOM 20 N GLY A 4 3.899 -3.861 -1.897 1.00 91.90 N +ATOM 21 CA GLY A 4 2.558 -4.002 -1.408 1.00 91.35 C +ATOM 22 C GLY A 4 1.621 -3.009 -2.054 1.00 92.31 C +ATOM 23 O GLY A 4 2.043 -2.124 -2.804 1.00 92.39 O +ATOM 24 N PRO A 5 0.328 -3.134 -1.771 1.00 90.34 N +ATOM 25 CA PRO A 5 -0.659 -2.229 -2.340 1.00 89.56 C +ATOM 26 C PRO A 5 -0.597 -0.859 -1.697 1.00 89.54 C +ATOM 27 O PRO A 5 -0.002 -0.680 -0.638 1.00 88.31 O +ATOM 28 CB PRO A 5 -1.981 -2.928 -2.038 1.00 87.88 C +ATOM 29 CG PRO A 5 -1.706 -3.666 -0.779 1.00 85.81 C +ATOM 30 CD PRO A 5 -0.282 -4.130 -0.905 1.00 88.26 C +HETATM 31 N HYP A 6 -1.214 0.106 -2.387 1.00 90.38 N +HETATM 32 CA HYP A 6 -1.337 1.425 -1.794 1.00 92.78 C +HETATM 33 C HYP A 6 -2.019 1.412 -0.469 1.00 91.27 C +HETATM 34 O HYP A 6 -2.912 0.544 -0.240 1.00 91.73 O +HETATM 35 CB HYP A 6 -2.171 2.176 -2.841 1.00 88.59 C +HETATM 36 CG HYP A 6 -1.861 1.488 -4.143 1.00 88.03 C +HETATM 37 CD HYP A 6 -1.775 0.032 -3.718 1.00 90.62 C +HETATM 38 OD1 HYP A 6 -0.622 1.926 -4.621 1.00 89.06 O +ATOM 39 N GLY A 7 -1.611 2.264 0.411 1.00 90.92 N +ATOM 40 CA GLY A 7 -2.213 2.360 1.711 1.00 89.85 C +ATOM 41 C GLY A 7 -3.641 2.854 1.634 1.00 90.60 C +ATOM 42 O GLY A 7 -4.145 3.218 0.569 1.00 90.12 O +ATOM 43 N PRO A 8 -4.317 2.884 2.774 1.00 89.24 N +ATOM 44 CA PRO A 8 -5.708 3.307 2.804 1.00 89.05 C +ATOM 45 C PRO A 8 -5.851 4.805 2.596 1.00 89.02 C +ATOM 46 O PRO A 8 -4.950 5.578 2.892 1.00 87.42 O +ATOM 47 CB PRO A 8 -6.177 2.897 4.197 1.00 86.79 C +ATOM 48 CG PRO A 8 -4.937 2.951 5.013 1.00 85.59 C +ATOM 49 CD PRO A 8 -3.838 2.502 4.094 1.00 87.65 C +HETATM 50 N HYP A 9 -7.030 5.203 2.101 1.00 89.87 N +HETATM 51 CA HYP A 9 -7.334 6.581 1.936 1.00 86.97 C +HETATM 52 C HYP A 9 -7.589 7.229 3.283 1.00 90.88 C +HETATM 53 O HYP A 9 -8.016 6.553 4.233 1.00 88.91 O +HETATM 54 CB HYP A 9 -8.732 6.511 1.198 1.00 83.76 C +HETATM 55 CG HYP A 9 -8.804 5.169 0.596 1.00 84.74 C +HETATM 56 CD HYP A 9 -8.068 4.298 1.531 1.00 88.87 C +HETATM 57 OD1 HYP A 9 -8.110 5.197 -0.626 1.00 86.27 O +ATOM 58 N GLY A 10 -7.354 8.470 3.439 1.00 89.81 N +ATOM 59 CA GLY A 10 -7.808 9.193 4.602 1.00 86.95 C +ATOM 60 C GLY A 10 -9.297 9.464 4.486 1.00 87.09 C +ATOM 61 O GLY A 10 -9.972 8.928 3.605 1.00 84.91 O +ATOM 62 N CYS A 11 -9.822 10.300 5.364 1.00 86.99 N +ATOM 63 CA CYS A 11 -11.218 10.698 5.220 1.00 89.71 C +ATOM 64 C CYS A 11 -11.435 11.255 3.826 1.00 90.01 C +ATOM 65 O CYS A 11 -12.365 10.864 3.123 1.00 86.73 O +ATOM 66 CB CYS A 11 -11.585 11.736 6.275 1.00 86.81 C +ATOM 67 SG CYS A 11 -11.598 11.044 7.927 1.00 80.01 S +ATOM 68 N LEU A 12 -10.562 12.167 3.455 1.00 87.90 N +ATOM 69 CA LEU A 12 -10.404 12.647 2.091 1.00 90.07 C +ATOM 70 C LEU A 12 -8.916 12.752 1.880 1.00 90.82 C +ATOM 71 O LEU A 12 -8.223 13.390 2.669 1.00 86.96 O +ATOM 72 CB LEU A 12 -11.056 14.018 1.885 1.00 87.70 C +ATOM 73 CG LEU A 12 -12.582 14.059 1.829 1.00 82.75 C +ATOM 74 CD1 LEU A 12 -13.041 15.497 1.699 1.00 81.34 C +ATOM 75 CD2 LEU A 12 -13.111 13.239 0.663 1.00 77.24 C +ATOM 76 N GLY A 13 -8.433 12.116 0.837 1.00 92.97 N +ATOM 77 CA GLY A 13 -7.011 12.166 0.593 1.00 92.07 C +ATOM 78 C GLY A 13 -6.572 10.957 -0.193 1.00 92.81 C +ATOM 79 O GLY A 13 -7.303 9.974 -0.308 1.00 92.81 O +ATOM 80 N PRO A 14 -5.387 11.033 -0.737 1.00 92.41 N +ATOM 81 CA PRO A 14 -4.883 9.949 -1.563 1.00 91.98 C +ATOM 82 C PRO A 14 -4.535 8.721 -0.743 1.00 92.11 C +ATOM 83 O PRO A 14 -4.323 8.797 0.461 1.00 90.44 O +ATOM 84 CB PRO A 14 -3.646 10.543 -2.221 1.00 90.55 C +ATOM 85 CG PRO A 14 -3.166 11.538 -1.229 1.00 89.48 C +ATOM 86 CD PRO A 14 -4.421 12.116 -0.626 1.00 90.20 C +HETATM 87 N HYP A 15 -4.489 7.660 -1.443 1.00 90.86 N +HETATM 88 CA HYP A 15 -4.008 6.425 -0.840 1.00 92.58 C +HETATM 89 C HYP A 15 -2.578 6.560 -0.416 1.00 92.78 C +HETATM 90 O HYP A 15 -1.843 7.418 -0.959 1.00 92.44 O +HETATM 91 CB HYP A 15 -4.150 5.447 -2.041 1.00 88.35 C +HETATM 92 CG HYP A 15 -5.269 6.026 -2.891 1.00 87.44 C +HETATM 93 CD HYP A 15 -5.015 7.508 -2.799 1.00 90.19 C +HETATM 94 OD1 HYP A 15 -6.513 5.709 -2.365 1.00 88.96 O +ATOM 95 N GLY A 16 -2.211 5.811 0.545 1.00 94.31 N +ATOM 96 CA GLY A 16 -0.835 5.790 0.959 1.00 93.75 C +ATOM 97 C GLY A 16 0.050 5.180 -0.109 1.00 94.43 C +ATOM 98 O GLY A 16 -0.429 4.687 -1.129 1.00 94.10 O +ATOM 99 N PRO A 17 1.345 5.226 0.125 1.00 92.00 N +ATOM 100 CA PRO A 17 2.277 4.667 -0.839 1.00 91.68 C +ATOM 101 C PRO A 17 2.226 3.148 -0.849 1.00 92.02 C +ATOM 102 O PRO A 17 1.716 2.527 0.076 1.00 90.53 O +ATOM 103 CB PRO A 17 3.628 5.180 -0.358 1.00 89.75 C +ATOM 104 CG PRO A 17 3.443 5.323 1.108 1.00 87.98 C +ATOM 105 CD PRO A 17 2.026 5.786 1.290 1.00 89.72 C +HETATM 106 N HYP A 18 2.742 2.579 -1.922 1.00 87.69 N +HETATM 107 CA HYP A 18 2.875 1.149 -1.963 1.00 89.58 C +HETATM 108 C HYP A 18 3.690 0.633 -0.817 1.00 89.25 C +HETATM 109 O HYP A 18 4.580 1.338 -0.311 1.00 90.86 O +HETATM 110 CB HYP A 18 3.588 0.913 -3.299 1.00 87.47 C +HETATM 111 CG HYP A 18 3.165 2.069 -4.158 1.00 86.63 C +HETATM 112 CD HYP A 18 3.138 3.211 -3.162 1.00 89.24 C +HETATM 113 OD1 HYP A 18 1.874 1.841 -4.683 1.00 87.28 O +ATOM 114 N GLY A 19 3.361 -0.532 -0.378 1.00 89.30 N +ATOM 115 CA GLY A 19 4.101 -1.161 0.681 1.00 88.89 C +ATOM 116 C GLY A 19 5.503 -1.519 0.231 1.00 89.31 C +ATOM 117 O GLY A 19 5.849 -1.405 -0.944 1.00 89.21 O +ATOM 118 N PRO A 20 6.317 -1.949 1.170 1.00 84.51 N +ATOM 119 CA PRO A 20 7.680 -2.327 0.837 1.00 83.75 C +ATOM 120 C PRO A 20 7.710 -3.615 0.031 1.00 83.61 C +ATOM 121 O PRO A 20 6.758 -4.383 0.030 1.00 83.74 O +ATOM 122 CB PRO A 20 8.335 -2.508 2.202 1.00 81.78 C +ATOM 123 CG PRO A 20 7.207 -2.909 3.079 1.00 78.53 C +ATOM 124 CD PRO A 20 6.025 -2.128 2.583 1.00 80.39 C +HETATM 125 N HYP A 21 8.822 -3.802 -0.648 1.00 87.86 N +HETATM 126 CA HYP A 21 8.991 -5.041 -1.370 1.00 86.18 C +HETATM 127 C HYP A 21 8.930 -6.248 -0.470 1.00 86.96 C +HETATM 128 O HYP A 21 9.351 -6.165 0.683 1.00 89.37 O +HETATM 129 CB HYP A 21 10.376 -4.913 -1.990 1.00 85.24 C +HETATM 130 CG HYP A 21 10.636 -3.450 -2.078 1.00 81.03 C +HETATM 131 CD HYP A 21 9.954 -2.898 -0.824 1.00 87.52 C +HETATM 132 OD1 HYP A 21 9.956 -2.913 -3.221 1.00 85.63 O +ATOM 133 N GLY A 22 8.336 -7.284 -0.936 1.00 84.21 N +ATOM 134 CA GLY A 22 8.317 -8.505 -0.191 1.00 80.36 C +ATOM 135 C GLY A 22 9.692 -9.139 -0.179 1.00 79.54 C +ATOM 136 O GLY A 22 10.628 -8.636 -0.803 1.00 79.82 O +ATOM 137 N PRO A 23 9.844 -10.254 0.510 1.00 89.11 N +ATOM 138 CA PRO A 23 11.127 -10.936 0.523 1.00 89.06 C +ATOM 139 C PRO A 23 11.373 -11.572 -0.832 1.00 88.23 C +ATOM 140 O PRO A 23 10.679 -12.505 -1.223 1.00 85.24 O +ATOM 141 CB PRO A 23 10.957 -11.977 1.625 1.00 85.52 C +ATOM 142 CG PRO A 23 9.499 -12.236 1.659 1.00 81.67 C +ATOM 143 CD PRO A 23 8.836 -10.935 1.300 1.00 85.18 C +HETATM 144 N HYP A 24 12.141 -11.078 -1.619 1.00 92.87 N +HETATM 145 CA HYP A 24 12.138 -11.223 -3.116 1.00 87.32 C +HETATM 146 C HYP A 24 11.108 -10.963 -3.899 1.00 91.09 C +HETATM 147 O HYP A 24 11.090 -10.050 -4.810 1.00 90.35 O +HETATM 148 CB HYP A 24 13.538 -11.413 -3.530 1.00 87.22 C +HETATM 149 CG HYP A 24 14.333 -11.576 -2.232 1.00 86.24 C +HETATM 150 CD HYP A 24 13.346 -11.381 -1.057 1.00 90.23 C +HETATM 151 OD1 HYP A 24 15.334 -10.571 -2.110 1.00 87.98 O +HETATM 152 OXT HYP A 24 10.377 -11.988 -4.367 1.00 88.36 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_52.txt b/protein_pdb_52.txt new file mode 100644 index 0000000000000000000000000000000000000000..805b97394f7d307e8c371570f4672f4f2123b99a --- /dev/null +++ b/protein_pdb_52.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 10.638 3.435 9.684 1.00 79.20 N +ATOM 2 CA GLY A 1 9.245 3.630 10.057 1.00 82.33 C +ATOM 3 C GLY A 1 8.400 2.463 9.621 1.00 83.32 C +ATOM 4 O GLY A 1 8.893 1.528 8.995 1.00 81.67 O +ATOM 5 N PRO A 2 7.143 2.524 9.938 1.00 83.32 N +ATOM 6 CA PRO A 2 6.251 1.430 9.585 1.00 85.18 C +ATOM 7 C PRO A 2 5.974 1.399 8.092 1.00 85.34 C +ATOM 8 O PRO A 2 6.201 2.369 7.381 1.00 85.14 O +ATOM 9 CB PRO A 2 4.984 1.737 10.371 1.00 81.81 C +ATOM 10 CG PRO A 2 4.982 3.221 10.483 1.00 75.74 C +ATOM 11 CD PRO A 2 6.424 3.618 10.607 1.00 76.32 C +HETATM 12 N HYP A 3 5.509 0.300 7.671 1.00 82.86 N +HETATM 13 CA HYP A 3 5.072 0.168 6.300 1.00 85.45 C +HETATM 14 C HYP A 3 4.059 1.209 5.944 1.00 86.08 C +HETATM 15 O HYP A 3 3.261 1.665 6.825 1.00 88.38 O +HETATM 16 CB HYP A 3 4.421 -1.231 6.343 1.00 85.87 C +HETATM 17 CG HYP A 3 5.215 -1.943 7.393 1.00 80.37 C +HETATM 18 CD HYP A 3 5.367 -0.894 8.469 1.00 82.28 C +HETATM 19 OD1 HYP A 3 6.443 -2.312 6.903 1.00 85.16 O +ATOM 20 N GLY A 4 4.123 1.640 4.728 1.00 89.52 N +ATOM 21 CA GLY A 4 3.144 2.574 4.254 1.00 88.49 C +ATOM 22 C GLY A 4 1.768 1.943 4.171 1.00 88.01 C +ATOM 23 O GLY A 4 1.593 0.751 4.433 1.00 88.53 O +ATOM 24 N PRO A 5 0.801 2.751 3.794 1.00 89.72 N +ATOM 25 CA PRO A 5 -0.554 2.241 3.681 1.00 88.58 C +ATOM 26 C PRO A 5 -0.685 1.292 2.506 1.00 88.23 C +ATOM 27 O PRO A 5 0.137 1.279 1.601 1.00 87.28 O +ATOM 28 CB PRO A 5 -1.385 3.504 3.472 1.00 86.57 C +ATOM 29 CG PRO A 5 -0.447 4.447 2.820 1.00 84.24 C +ATOM 30 CD PRO A 5 0.894 4.158 3.409 1.00 85.50 C +HETATM 31 N HYP A 6 -1.722 0.513 2.553 1.00 86.18 N +HETATM 32 CA HYP A 6 -2.021 -0.353 1.445 1.00 88.35 C +HETATM 33 C HYP A 6 -2.180 0.402 0.166 1.00 85.88 C +HETATM 34 O HYP A 6 -2.623 1.590 0.167 1.00 88.78 O +HETATM 35 CB HYP A 6 -3.369 -0.954 1.943 1.00 86.35 C +HETATM 36 CG HYP A 6 -3.287 -0.922 3.440 1.00 84.40 C +HETATM 37 CD HYP A 6 -2.644 0.409 3.672 1.00 86.95 C +HETATM 38 OD1 HYP A 6 -2.484 -1.949 3.911 1.00 86.88 O +ATOM 39 N GLY A 7 -1.701 -0.193 -0.886 1.00 88.11 N +ATOM 40 CA GLY A 7 -1.873 0.384 -2.186 1.00 85.56 C +ATOM 41 C GLY A 7 -3.338 0.460 -2.568 1.00 86.33 C +ATOM 42 O GLY A 7 -4.217 0.007 -1.836 1.00 86.42 O +ATOM 43 N PRO A 8 -3.598 1.035 -3.720 1.00 89.31 N +ATOM 44 CA PRO A 8 -4.971 1.157 -4.160 1.00 88.65 C +ATOM 45 C PRO A 8 -5.559 -0.199 -4.494 1.00 88.91 C +ATOM 46 O PRO A 8 -4.847 -1.141 -4.827 1.00 87.74 O +ATOM 47 CB PRO A 8 -4.871 2.041 -5.398 1.00 86.18 C +ATOM 48 CG PRO A 8 -3.494 1.817 -5.896 1.00 84.90 C +ATOM 49 CD PRO A 8 -2.650 1.573 -4.683 1.00 86.07 C +HETATM 50 N HYP A 9 -6.852 -0.271 -4.431 1.00 84.05 N +HETATM 51 CA HYP A 9 -7.514 -1.467 -4.757 1.00 89.07 C +HETATM 52 C HYP A 9 -7.338 -1.813 -6.222 1.00 85.37 C +HETATM 53 O HYP A 9 -7.248 -0.915 -7.075 1.00 86.63 O +HETATM 54 CB HYP A 9 -9.016 -1.055 -4.529 1.00 84.69 C +HETATM 55 CG HYP A 9 -8.950 0.021 -3.477 1.00 82.34 C +HETATM 56 CD HYP A 9 -7.737 0.787 -3.887 1.00 86.26 C +HETATM 57 OD1 HYP A 9 -8.718 -0.533 -2.202 1.00 84.16 O +ATOM 58 N GLY A 10 -7.143 -3.082 -6.470 1.00 86.11 N +ATOM 59 CA GLY A 10 -7.170 -3.536 -7.827 1.00 83.37 C +ATOM 60 C GLY A 10 -8.566 -3.379 -8.382 1.00 83.97 C +ATOM 61 O GLY A 10 -9.500 -2.985 -7.681 1.00 82.58 O +ATOM 62 N ARG A 11 -8.709 -3.695 -9.624 1.00 89.25 N +ATOM 63 CA ARG A 11 -10.021 -3.612 -10.238 1.00 89.99 C +ATOM 64 C ARG A 11 -10.837 -4.801 -9.780 1.00 89.18 C +ATOM 65 O ARG A 11 -10.567 -5.933 -10.167 1.00 87.71 O +ATOM 66 CB ARG A 11 -9.892 -3.590 -11.755 1.00 86.73 C +ATOM 67 CG ARG A 11 -11.198 -3.243 -12.434 1.00 80.51 C +ATOM 68 CD ARG A 11 -11.022 -3.090 -13.928 1.00 78.47 C +ATOM 69 NE ARG A 11 -10.813 -4.370 -14.579 1.00 75.99 N +ATOM 70 CZ ARG A 11 -10.354 -4.508 -15.814 1.00 72.04 C +ATOM 71 NH1 ARG A 11 -10.034 -3.441 -16.535 1.00 69.60 N +ATOM 72 NH2 ARG A 11 -10.204 -5.704 -16.331 1.00 68.36 N +HETATM 73 N HYP A 12 -11.828 -4.628 -8.911 1.00 83.56 N +HETATM 74 CA HYP A 12 -12.222 -5.568 -8.008 1.00 86.23 C +HETATM 75 C HYP A 12 -11.326 -6.359 -7.212 1.00 88.14 C +HETATM 76 O HYP A 12 -11.661 -7.325 -6.485 1.00 87.36 O +HETATM 77 CB HYP A 12 -13.695 -5.618 -7.873 1.00 82.36 C +HETATM 78 CG HYP A 12 -14.134 -4.368 -8.648 1.00 79.12 C +HETATM 79 CD HYP A 12 -12.931 -3.978 -9.443 1.00 83.30 C +HETATM 80 OD1 HYP A 12 -14.456 -3.307 -7.789 1.00 82.78 O +ATOM 81 N GLY A 13 -10.039 -5.958 -7.267 1.00 89.31 N +ATOM 82 CA GLY A 13 -8.991 -6.629 -6.548 1.00 88.39 C +ATOM 83 C GLY A 13 -8.793 -6.077 -5.150 1.00 88.63 C +ATOM 84 O GLY A 13 -9.402 -5.078 -4.768 1.00 88.51 O +ATOM 85 N PRO A 14 -7.941 -6.728 -4.395 1.00 88.24 N +ATOM 86 CA PRO A 14 -7.683 -6.322 -3.033 1.00 88.38 C +ATOM 87 C PRO A 14 -6.793 -5.090 -2.983 1.00 88.20 C +ATOM 88 O PRO A 14 -6.175 -4.707 -3.966 1.00 86.54 O +ATOM 89 CB PRO A 14 -6.968 -7.530 -2.442 1.00 85.84 C +ATOM 90 CG PRO A 14 -6.234 -8.106 -3.596 1.00 84.18 C +ATOM 91 CD PRO A 14 -7.133 -7.899 -4.779 1.00 84.07 C +HETATM 92 N HYP A 15 -6.734 -4.524 -1.795 1.00 86.48 N +HETATM 93 CA HYP A 15 -5.788 -3.452 -1.595 1.00 89.57 C +HETATM 94 C HYP A 15 -4.389 -3.918 -1.920 1.00 88.88 C +HETATM 95 O HYP A 15 -4.080 -5.092 -1.721 1.00 87.18 O +HETATM 96 CB HYP A 15 -5.980 -3.222 -0.060 1.00 86.88 C +HETATM 97 CG HYP A 15 -7.427 -3.600 0.174 1.00 84.82 C +HETATM 98 CD HYP A 15 -7.573 -4.842 -0.683 1.00 86.71 C +HETATM 99 OD1 HYP A 15 -8.292 -2.604 -0.269 1.00 86.91 O +ATOM 100 N GLY A 16 -3.624 -3.004 -2.441 1.00 89.71 N +ATOM 101 CA GLY A 16 -2.264 -3.316 -2.739 1.00 88.47 C +ATOM 102 C GLY A 16 -1.467 -3.608 -1.482 1.00 89.00 C +ATOM 103 O GLY A 16 -1.955 -3.461 -0.361 1.00 89.62 O +ATOM 104 N PRO A 17 -0.229 -4.024 -1.681 1.00 89.01 N +ATOM 105 CA PRO A 17 0.623 -4.329 -0.546 1.00 88.68 C +ATOM 106 C PRO A 17 0.989 -3.068 0.216 1.00 89.11 C +ATOM 107 O PRO A 17 0.900 -1.961 -0.306 1.00 87.63 O +ATOM 108 CB PRO A 17 1.848 -4.974 -1.180 1.00 86.31 C +ATOM 109 CG PRO A 17 1.889 -4.408 -2.549 1.00 85.47 C +ATOM 110 CD PRO A 17 0.464 -4.202 -2.952 1.00 86.65 C +HETATM 111 N HYP A 18 1.385 -3.233 1.431 1.00 89.67 N +HETATM 112 CA HYP A 18 1.863 -2.150 2.211 1.00 91.25 C +HETATM 113 C HYP A 18 2.991 -1.426 1.531 1.00 90.78 C +HETATM 114 O HYP A 18 3.791 -2.044 0.792 1.00 90.39 O +HETATM 115 CB HYP A 18 2.332 -2.863 3.470 1.00 88.78 C +HETATM 116 CG HYP A 18 1.466 -4.081 3.532 1.00 88.07 C +HETATM 117 CD HYP A 18 1.388 -4.500 2.101 1.00 89.96 C +HETATM 118 OD1 HYP A 18 0.162 -3.770 3.986 1.00 89.00 O +ATOM 119 N GLY A 19 3.014 -0.146 1.708 1.00 90.52 N +ATOM 120 CA GLY A 19 4.084 0.640 1.180 1.00 89.95 C +ATOM 121 C GLY A 19 5.400 0.301 1.860 1.00 90.12 C +ATOM 122 O GLY A 19 5.461 -0.481 2.803 1.00 90.46 O +ATOM 123 N PRO A 20 6.458 0.906 1.369 1.00 86.60 N +ATOM 124 CA PRO A 20 7.764 0.655 1.949 1.00 85.19 C +ATOM 125 C PRO A 20 7.873 1.257 3.332 1.00 85.02 C +ATOM 126 O PRO A 20 7.107 2.140 3.709 1.00 85.55 O +ATOM 127 CB PRO A 20 8.717 1.321 0.966 1.00 83.00 C +ATOM 128 CG PRO A 20 7.903 2.382 0.321 1.00 80.99 C +ATOM 129 CD PRO A 20 6.506 1.861 0.266 1.00 82.27 C +HETATM 130 N HYP A 21 8.818 0.788 4.102 1.00 85.35 N +HETATM 131 CA HYP A 21 9.094 1.324 5.369 1.00 88.88 C +HETATM 132 C HYP A 21 9.381 2.820 5.320 1.00 87.69 C +HETATM 133 O HYP A 21 9.905 3.297 4.300 1.00 88.78 O +HETATM 134 CB HYP A 21 10.304 0.555 5.810 1.00 85.19 C +HETATM 135 CG HYP A 21 10.108 -0.774 5.141 1.00 85.32 C +HETATM 136 CD HYP A 21 9.600 -0.383 3.782 1.00 87.84 C +HETATM 137 OD1 HYP A 21 9.113 -1.539 5.787 1.00 87.53 O +ATOM 138 N GLY A 22 8.939 3.528 6.294 1.00 86.42 N +ATOM 139 CA GLY A 22 9.205 4.934 6.376 1.00 84.35 C +ATOM 140 C GLY A 22 10.690 5.219 6.517 1.00 83.80 C +ATOM 141 O GLY A 22 11.517 4.310 6.566 1.00 84.03 O +ATOM 142 N PRO A 23 11.016 6.492 6.602 1.00 83.24 N +ATOM 143 CA PRO A 23 12.411 6.876 6.710 1.00 83.25 C +ATOM 144 C PRO A 23 12.990 6.481 8.056 1.00 82.34 C +ATOM 145 O PRO A 23 12.267 6.249 9.015 1.00 80.03 O +ATOM 146 CB PRO A 23 12.373 8.386 6.534 1.00 78.59 C +ATOM 147 CG PRO A 23 11.016 8.774 6.992 1.00 75.93 C +ATOM 148 CD PRO A 23 10.121 7.630 6.627 1.00 77.97 C +HETATM 149 N HYP A 24 14.266 6.459 8.183 1.00 87.05 N +HETATM 150 CA HYP A 24 14.855 6.103 9.403 1.00 82.94 C +HETATM 151 C HYP A 24 14.311 6.837 10.595 1.00 82.98 C +HETATM 152 O HYP A 24 13.967 8.027 10.396 1.00 82.14 O +HETATM 153 CB HYP A 24 16.358 6.412 9.204 1.00 81.89 C +HETATM 154 CG HYP A 24 16.544 6.528 7.738 1.00 81.10 C +HETATM 155 CD HYP A 24 15.197 6.969 7.208 1.00 85.32 C +HETATM 156 OD1 HYP A 24 16.815 5.256 7.172 1.00 84.27 O +HETATM 157 OXT HYP A 24 14.301 6.236 11.703 1.00 81.95 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_520.txt b/protein_pdb_520.txt new file mode 100644 index 0000000000000000000000000000000000000000..546f6bc2a2c7798db18273b3c06d69f49a6a3223 --- /dev/null +++ b/protein_pdb_520.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 8.752 4.459 -12.743 1.00 93.20 N +ATOM 2 CA GLY A 1 8.436 5.208 -11.577 1.00 93.62 C +ATOM 3 C GLY A 1 8.731 4.489 -10.276 1.00 94.01 C +ATOM 4 O GLY A 1 8.957 3.285 -10.266 1.00 92.56 O +ATOM 5 N PRO A 2 8.722 5.197 -9.221 1.00 92.80 N +ATOM 6 CA PRO A 2 8.967 4.613 -7.915 1.00 93.28 C +ATOM 7 C PRO A 2 7.763 3.806 -7.443 1.00 93.34 C +ATOM 8 O PRO A 2 6.684 3.897 -8.011 1.00 92.22 O +ATOM 9 CB PRO A 2 9.207 5.834 -7.038 1.00 90.28 C +ATOM 10 CG PRO A 2 8.356 6.873 -7.675 1.00 85.95 C +ATOM 11 CD PRO A 2 8.516 6.641 -9.146 1.00 88.72 C +HETATM 12 N HYP A 3 7.978 3.018 -6.394 1.00 93.38 N +HETATM 13 CA HYP A 3 6.864 2.281 -5.844 1.00 90.68 C +HETATM 14 C HYP A 3 5.774 3.203 -5.354 1.00 91.27 C +HETATM 15 O HYP A 3 6.081 4.352 -4.948 1.00 93.61 O +HETATM 16 CB HYP A 3 7.509 1.545 -4.622 1.00 90.44 C +HETATM 17 CG HYP A 3 8.937 1.338 -5.043 1.00 88.61 C +HETATM 18 CD HYP A 3 9.229 2.674 -5.800 1.00 91.64 C +HETATM 19 OD1 HYP A 3 8.980 0.279 -5.935 1.00 89.87 O +ATOM 20 N GLY A 4 4.566 2.731 -5.495 1.00 94.12 N +ATOM 21 CA GLY A 4 3.446 3.509 -5.054 1.00 93.58 C +ATOM 22 C GLY A 4 3.451 3.637 -3.539 1.00 94.00 C +ATOM 23 O GLY A 4 4.224 2.970 -2.849 1.00 94.51 O +ATOM 24 N PRO A 5 2.595 4.499 -3.001 1.00 92.71 N +ATOM 25 CA PRO A 5 2.529 4.684 -1.559 1.00 92.18 C +ATOM 26 C PRO A 5 1.911 3.476 -0.877 1.00 92.23 C +ATOM 27 O PRO A 5 1.254 2.657 -1.512 1.00 91.24 O +ATOM 28 CB PRO A 5 1.660 5.922 -1.406 1.00 90.51 C +ATOM 29 CG PRO A 5 0.758 5.851 -2.588 1.00 88.69 C +ATOM 30 CD PRO A 5 1.634 5.350 -3.701 1.00 91.43 C +HETATM 31 N HYP A 6 2.145 3.367 0.433 1.00 93.75 N +HETATM 32 CA HYP A 6 1.513 2.319 1.184 1.00 94.69 C +HETATM 33 C HYP A 6 0.009 2.424 1.143 1.00 93.99 C +HETATM 34 O HYP A 6 -0.553 3.539 1.039 1.00 92.73 O +HETATM 35 CB HYP A 6 1.995 2.645 2.644 1.00 89.93 C +HETATM 36 CG HYP A 6 3.312 3.335 2.428 1.00 88.30 C +HETATM 37 CD HYP A 6 3.031 4.188 1.203 1.00 91.48 C +HETATM 38 OD1 HYP A 6 4.293 2.373 2.135 1.00 88.96 O +ATOM 39 N GLY A 7 -0.615 1.273 1.099 1.00 93.21 N +ATOM 40 CA GLY A 7 -2.048 1.235 1.072 1.00 92.29 C +ATOM 41 C GLY A 7 -2.610 1.756 2.377 1.00 93.42 C +ATOM 42 O GLY A 7 -1.887 1.964 3.347 1.00 93.45 O +ATOM 43 N PRO A 8 -3.912 1.980 2.419 1.00 92.22 N +ATOM 44 CA PRO A 8 -4.532 2.454 3.645 1.00 91.96 C +ATOM 45 C PRO A 8 -4.591 1.354 4.687 1.00 92.24 C +ATOM 46 O PRO A 8 -4.462 0.178 4.371 1.00 90.76 O +ATOM 47 CB PRO A 8 -5.924 2.869 3.190 1.00 89.67 C +ATOM 48 CG PRO A 8 -6.195 1.945 2.062 1.00 88.22 C +ATOM 49 CD PRO A 8 -4.872 1.820 1.344 1.00 90.59 C +HETATM 50 N HYP A 9 -4.781 1.743 5.941 1.00 92.47 N +HETATM 51 CA HYP A 9 -4.941 0.781 6.968 1.00 91.38 C +HETATM 52 C HYP A 9 -6.170 -0.064 6.768 1.00 92.67 C +HETATM 53 O HYP A 9 -7.172 0.416 6.217 1.00 91.66 O +HETATM 54 CB HYP A 9 -5.135 1.636 8.250 1.00 86.70 C +HETATM 55 CG HYP A 9 -4.456 2.907 7.938 1.00 87.47 C +HETATM 56 CD HYP A 9 -4.726 3.121 6.487 1.00 91.36 C +HETATM 57 OD1 HYP A 9 -3.067 2.734 8.127 1.00 86.48 O +ATOM 58 N GLY A 10 -6.140 -1.313 7.120 1.00 93.09 N +ATOM 59 CA GLY A 10 -7.330 -2.124 7.140 1.00 91.08 C +ATOM 60 C GLY A 10 -8.226 -1.592 8.244 1.00 91.89 C +ATOM 61 O GLY A 10 -7.913 -0.596 8.893 1.00 91.01 O +ATOM 62 N MET A 11 -9.335 -2.265 8.489 1.00 95.67 N +ATOM 63 CA MET A 11 -10.254 -1.799 9.521 1.00 96.05 C +ATOM 64 C MET A 11 -9.521 -1.503 10.832 1.00 95.97 C +ATOM 65 O MET A 11 -9.755 -0.481 11.470 1.00 93.99 O +ATOM 66 CB MET A 11 -11.350 -2.833 9.745 1.00 94.57 C +ATOM 67 CG MET A 11 -12.477 -2.332 10.612 1.00 90.32 C +ATOM 68 SD MET A 11 -13.821 -3.512 10.736 1.00 86.46 S +ATOM 69 CE MET A 11 -14.428 -3.491 9.057 1.00 78.80 C +ATOM 70 N TYR A 12 -8.619 -2.404 11.209 1.00 93.00 N +ATOM 71 CA TYR A 12 -7.807 -2.222 12.412 1.00 93.31 C +ATOM 72 C TYR A 12 -6.373 -2.664 12.182 1.00 93.27 C +ATOM 73 O TYR A 12 -5.610 -2.824 13.134 1.00 90.99 O +ATOM 74 CB TYR A 12 -8.395 -3.036 13.575 1.00 92.28 C +ATOM 75 CG TYR A 12 -9.816 -2.653 13.900 1.00 89.10 C +ATOM 76 CD1 TYR A 12 -10.092 -1.439 14.518 1.00 86.74 C +ATOM 77 CD2 TYR A 12 -10.881 -3.478 13.569 1.00 84.89 C +ATOM 78 CE1 TYR A 12 -11.389 -1.064 14.800 1.00 84.44 C +ATOM 79 CE2 TYR A 12 -12.186 -3.112 13.842 1.00 85.60 C +ATOM 80 CZ TYR A 12 -12.436 -1.901 14.461 1.00 84.82 C +ATOM 81 OH TYR A 12 -13.732 -1.523 14.726 1.00 83.12 O +ATOM 82 N GLY A 13 -5.994 -2.865 10.938 1.00 95.29 N +ATOM 83 CA GLY A 13 -4.691 -3.393 10.608 1.00 94.89 C +ATOM 84 C GLY A 13 -3.696 -2.356 10.144 1.00 95.23 C +ATOM 85 O GLY A 13 -4.011 -1.175 10.035 1.00 95.04 O +ATOM 86 N PRO A 14 -2.469 -2.802 9.862 1.00 95.42 N +ATOM 87 CA PRO A 14 -1.421 -1.907 9.408 1.00 95.27 C +ATOM 88 C PRO A 14 -1.677 -1.456 7.979 1.00 95.21 C +ATOM 89 O PRO A 14 -2.528 -2.001 7.286 1.00 94.15 O +ATOM 90 CB PRO A 14 -0.167 -2.769 9.496 1.00 93.76 C +ATOM 91 CG PRO A 14 -0.673 -4.142 9.239 1.00 92.42 C +ATOM 92 CD PRO A 14 -2.001 -4.186 9.942 1.00 94.11 C +HETATM 93 N HYP A 15 -0.915 -0.462 7.573 1.00 94.89 N +HETATM 94 CA HYP A 15 -0.999 -0.049 6.200 1.00 95.07 C +HETATM 95 C HYP A 15 -0.687 -1.137 5.237 1.00 95.88 C +HETATM 96 O HYP A 15 0.099 -2.049 5.575 1.00 94.43 O +HETATM 97 CB HYP A 15 0.086 1.067 6.167 1.00 91.46 C +HETATM 98 CG HYP A 15 0.179 1.558 7.591 1.00 90.61 C +HETATM 99 CD HYP A 15 -0.015 0.297 8.396 1.00 93.28 C +HETATM 100 OD1 HYP A 15 -0.857 2.475 7.857 1.00 90.34 O +ATOM 101 N GLY A 16 -1.307 -1.100 4.093 1.00 95.70 N +ATOM 102 CA GLY A 16 -1.036 -2.068 3.076 1.00 95.45 C +ATOM 103 C GLY A 16 0.366 -1.903 2.535 1.00 95.91 C +ATOM 104 O GLY A 16 1.046 -0.920 2.839 1.00 95.66 O +ATOM 105 N PRO A 17 0.821 -2.866 1.727 1.00 93.84 N +ATOM 106 CA PRO A 17 2.160 -2.784 1.164 1.00 93.49 C +ATOM 107 C PRO A 17 2.251 -1.687 0.119 1.00 94.03 C +ATOM 108 O PRO A 17 1.241 -1.215 -0.395 1.00 92.78 O +ATOM 109 CB PRO A 17 2.367 -4.168 0.555 1.00 91.88 C +ATOM 110 CG PRO A 17 0.991 -4.587 0.186 1.00 90.09 C +ATOM 111 CD PRO A 17 0.125 -4.074 1.305 1.00 91.82 C +HETATM 112 N HYP A 18 3.467 -1.279 -0.179 1.00 90.47 N +HETATM 113 CA HYP A 18 3.678 -0.343 -1.224 1.00 91.48 C +HETATM 114 C HYP A 18 3.181 -0.825 -2.553 1.00 92.66 C +HETATM 115 O HYP A 18 3.180 -2.050 -2.818 1.00 91.06 O +HETATM 116 CB HYP A 18 5.227 -0.253 -1.262 1.00 88.09 C +HETATM 117 CG HYP A 18 5.651 -0.593 0.141 1.00 86.29 C +HETATM 118 CD HYP A 18 4.658 -1.689 0.506 1.00 91.08 C +HETATM 119 OD1 HYP A 18 5.426 0.527 1.000 1.00 87.74 O +ATOM 120 N GLY A 19 2.713 0.066 -3.371 1.00 91.62 N +ATOM 121 CA GLY A 19 2.258 -0.274 -4.685 1.00 91.65 C +ATOM 122 C GLY A 19 3.424 -0.655 -5.571 1.00 92.51 C +ATOM 123 O GLY A 19 4.586 -0.465 -5.205 1.00 93.23 O +ATOM 124 N PRO A 20 3.142 -1.202 -6.742 1.00 90.30 N +ATOM 125 CA PRO A 20 4.202 -1.593 -7.656 1.00 90.46 C +ATOM 126 C PRO A 20 4.862 -0.371 -8.280 1.00 90.42 C +ATOM 127 O PRO A 20 4.320 0.727 -8.245 1.00 90.93 O +ATOM 128 CB PRO A 20 3.462 -2.425 -8.694 1.00 88.18 C +ATOM 129 CG PRO A 20 2.104 -1.821 -8.713 1.00 84.64 C +ATOM 130 CD PRO A 20 1.817 -1.486 -7.276 1.00 87.31 C +HETATM 131 N HYP A 21 6.064 -0.588 -8.804 1.00 91.66 N +HETATM 132 CA HYP A 21 6.715 0.464 -9.529 1.00 89.49 C +HETATM 133 C HYP A 21 5.892 1.034 -10.659 1.00 89.67 C +HETATM 134 O HYP A 21 5.159 0.282 -11.314 1.00 92.40 O +HETATM 135 CB HYP A 21 7.984 -0.178 -10.064 1.00 88.07 C +HETATM 136 CG HYP A 21 8.286 -1.294 -9.103 1.00 83.51 C +HETATM 137 CD HYP A 21 6.902 -1.789 -8.712 1.00 90.25 C +HETATM 138 OD1 HYP A 21 8.900 -0.738 -7.935 1.00 84.29 O +ATOM 139 N GLY A 22 5.969 2.325 -10.867 1.00 91.34 N +ATOM 140 CA GLY A 22 5.272 2.963 -11.939 1.00 89.57 C +ATOM 141 C GLY A 22 5.944 2.640 -13.264 1.00 89.92 C +ATOM 142 O GLY A 22 7.025 2.048 -13.284 1.00 90.24 O +ATOM 143 N PRO A 23 5.345 3.025 -14.393 1.00 92.90 N +ATOM 144 CA PRO A 23 5.923 2.748 -15.701 1.00 92.49 C +ATOM 145 C PRO A 23 7.038 3.727 -16.019 1.00 91.32 C +ATOM 146 O PRO A 23 6.794 4.860 -16.400 1.00 88.46 O +ATOM 147 CB PRO A 23 4.730 2.890 -16.634 1.00 89.16 C +ATOM 148 CG PRO A 23 3.896 3.925 -15.973 1.00 84.84 C +ATOM 149 CD PRO A 23 4.049 3.659 -14.487 1.00 89.35 C +HETATM 150 N HYP A 24 8.211 3.319 -15.719 1.00 94.49 N +HETATM 151 CA HYP A 24 9.501 3.934 -15.298 1.00 90.22 C +HETATM 152 C HYP A 24 9.688 4.597 -14.153 1.00 93.78 C +HETATM 153 O HYP A 24 9.902 5.900 -14.080 1.00 93.23 O +HETATM 154 CB HYP A 24 10.546 3.506 -16.221 1.00 89.57 C +HETATM 155 CG HYP A 24 9.790 3.031 -17.444 1.00 88.14 C +HETATM 156 CD HYP A 24 8.356 2.684 -16.936 1.00 92.22 C +HETATM 157 OD1 HYP A 24 10.398 1.896 -17.994 1.00 88.96 O +HETATM 158 OXT HYP A 24 10.502 3.973 -13.156 1.00 88.63 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_521.txt b/protein_pdb_521.txt new file mode 100644 index 0000000000000000000000000000000000000000..9dab6b8a8b048838b9ba4a2105b65f47d9f2c193 --- /dev/null +++ b/protein_pdb_521.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -8.133 14.989 0.023 1.00 94.50 N +ATOM 2 CA GLY A 1 -8.546 13.761 -0.572 1.00 94.92 C +ATOM 3 C GLY A 1 -8.588 12.600 0.397 1.00 95.51 C +ATOM 4 O GLY A 1 -8.064 12.689 1.508 1.00 94.45 O +ATOM 5 N PRO A 2 -9.157 11.536 -0.011 1.00 94.80 N +ATOM 6 CA PRO A 2 -9.254 10.359 0.836 1.00 94.98 C +ATOM 7 C PRO A 2 -7.934 9.618 0.923 1.00 94.94 C +ATOM 8 O PRO A 2 -7.026 9.835 0.125 1.00 93.75 O +ATOM 9 CB PRO A 2 -10.314 9.521 0.124 1.00 92.98 C +ATOM 10 CG PRO A 2 -10.168 9.899 -1.302 1.00 90.32 C +ATOM 11 CD PRO A 2 -9.796 11.356 -1.303 1.00 92.97 C +HETATM 12 N HYP A 3 -7.865 8.743 1.913 1.00 94.08 N +HETATM 13 CA HYP A 3 -6.677 7.911 2.045 1.00 92.78 C +HETATM 14 C HYP A 3 -6.504 6.982 0.850 1.00 94.57 C +HETATM 15 O HYP A 3 -7.513 6.577 0.220 1.00 94.98 O +HETATM 16 CB HYP A 3 -7.010 7.061 3.317 1.00 90.76 C +HETATM 17 CG HYP A 3 -7.944 7.948 4.113 1.00 89.42 C +HETATM 18 CD HYP A 3 -8.781 8.631 3.004 1.00 92.36 C +HETATM 19 OD1 HYP A 3 -7.192 8.906 4.800 1.00 91.44 O +ATOM 20 N GLY A 4 -5.282 6.722 0.502 1.00 95.72 N +ATOM 21 CA GLY A 4 -4.999 5.817 -0.578 1.00 95.38 C +ATOM 22 C GLY A 4 -5.374 4.389 -0.215 1.00 95.80 C +ATOM 23 O GLY A 4 -5.701 4.080 0.929 1.00 95.89 O +ATOM 24 N PRO A 5 -5.327 3.498 -1.199 1.00 95.21 N +ATOM 25 CA PRO A 5 -5.655 2.101 -0.944 1.00 94.98 C +ATOM 26 C PRO A 5 -4.578 1.426 -0.111 1.00 94.83 C +ATOM 27 O PRO A 5 -3.465 1.922 0.018 1.00 93.95 O +ATOM 28 CB PRO A 5 -5.734 1.498 -2.344 1.00 93.43 C +ATOM 29 CG PRO A 5 -4.831 2.347 -3.158 1.00 92.06 C +ATOM 30 CD PRO A 5 -4.928 3.728 -2.582 1.00 94.36 C +HETATM 31 N HYP A 6 -4.961 0.282 0.476 1.00 94.65 N +HETATM 32 CA HYP A 6 -3.992 -0.506 1.187 1.00 95.39 C +HETATM 33 C HYP A 6 -2.829 -0.891 0.326 1.00 95.49 C +HETATM 34 O HYP A 6 -2.998 -1.087 -0.908 1.00 94.64 O +HETATM 35 CB HYP A 6 -4.804 -1.733 1.634 1.00 92.91 C +HETATM 36 CG HYP A 6 -6.212 -1.255 1.681 1.00 91.29 C +HETATM 37 CD HYP A 6 -6.279 -0.283 0.522 1.00 93.29 C +HETATM 38 OD1 HYP A 6 -6.442 -0.566 2.883 1.00 90.49 O +ATOM 39 N GLY A 7 -1.665 -0.938 0.900 1.00 95.61 N +ATOM 40 CA GLY A 7 -0.494 -1.365 0.190 1.00 95.39 C +ATOM 41 C GLY A 7 -0.598 -2.819 -0.225 1.00 95.82 C +ATOM 42 O GLY A 7 -1.485 -3.549 0.209 1.00 95.78 O +ATOM 43 N PRO A 8 0.314 -3.248 -1.069 1.00 95.52 N +ATOM 44 CA PRO A 8 0.303 -4.636 -1.503 1.00 95.46 C +ATOM 45 C PRO A 8 0.672 -5.573 -0.362 1.00 95.54 C +ATOM 46 O PRO A 8 1.281 -5.177 0.624 1.00 94.92 O +ATOM 47 CB PRO A 8 1.328 -4.685 -2.631 1.00 94.23 C +ATOM 48 CG PRO A 8 2.200 -3.521 -2.399 1.00 92.91 C +ATOM 49 CD PRO A 8 1.400 -2.485 -1.668 1.00 94.90 C +HETATM 50 N HYP A 9 0.276 -6.834 -0.522 1.00 95.27 N +HETATM 51 CA HYP A 9 0.613 -7.823 0.439 1.00 94.38 C +HETATM 52 C HYP A 9 2.100 -7.984 0.564 1.00 95.67 C +HETATM 53 O HYP A 9 2.847 -7.843 -0.407 1.00 94.66 O +HETATM 54 CB HYP A 9 0.006 -9.130 -0.124 1.00 92.03 C +HETATM 55 CG HYP A 9 -1.087 -8.694 -1.008 1.00 91.95 C +HETATM 56 CD HYP A 9 -0.617 -7.385 -1.561 1.00 93.92 C +HETATM 57 OD1 HYP A 9 -2.247 -8.477 -0.235 1.00 90.68 O +ATOM 58 N GLY A 10 2.608 -8.222 1.747 1.00 95.79 N +ATOM 59 CA GLY A 10 3.971 -8.654 1.931 1.00 94.48 C +ATOM 60 C GLY A 10 4.146 -10.040 1.344 1.00 94.91 C +ATOM 61 O GLY A 10 3.246 -10.595 0.715 1.00 94.14 O +ATOM 62 N GLN A 11 5.308 -10.610 1.568 1.00 95.57 N +ATOM 63 CA GLN A 11 5.574 -11.922 0.994 1.00 95.55 C +ATOM 64 C GLN A 11 4.495 -12.920 1.402 1.00 95.34 C +ATOM 65 O GLN A 11 4.009 -13.697 0.576 1.00 93.62 O +ATOM 66 CB GLN A 11 6.963 -12.389 1.423 1.00 94.21 C +ATOM 67 CG GLN A 11 7.585 -13.350 0.441 1.00 90.22 C +ATOM 68 CD GLN A 11 9.054 -13.570 0.714 1.00 86.35 C +ATOM 69 OE1 GLN A 11 9.598 -13.087 1.712 1.00 81.79 O +ATOM 70 NE2 GLN A 11 9.722 -14.292 -0.170 1.00 79.29 N +ATOM 71 N PHE A 12 4.109 -12.886 2.664 1.00 95.35 N +ATOM 72 CA PHE A 12 2.991 -13.675 3.172 1.00 96.11 C +ATOM 73 C PHE A 12 2.137 -12.878 4.146 1.00 96.32 C +ATOM 74 O PHE A 12 1.283 -13.436 4.825 1.00 94.91 O +ATOM 75 CB PHE A 12 3.509 -14.957 3.839 1.00 95.48 C +ATOM 76 CG PHE A 12 4.258 -15.855 2.893 1.00 92.73 C +ATOM 77 CD1 PHE A 12 3.565 -16.644 1.992 1.00 90.31 C +ATOM 78 CD2 PHE A 12 5.637 -15.890 2.886 1.00 89.58 C +ATOM 79 CE1 PHE A 12 4.248 -17.457 1.094 1.00 89.43 C +ATOM 80 CE2 PHE A 12 6.323 -16.701 1.995 1.00 90.00 C +ATOM 81 CZ PHE A 12 5.627 -17.492 1.096 1.00 90.05 C +ATOM 82 N GLY A 13 2.370 -11.602 4.220 1.00 96.19 N +ATOM 83 CA GLY A 13 1.714 -10.758 5.191 1.00 95.94 C +ATOM 84 C GLY A 13 0.496 -10.053 4.636 1.00 96.43 C +ATOM 85 O GLY A 13 0.179 -10.154 3.451 1.00 96.20 O +ATOM 86 N PRO A 14 -0.202 -9.348 5.507 1.00 96.42 N +ATOM 87 CA PRO A 14 -1.398 -8.620 5.105 1.00 96.57 C +ATOM 88 C PRO A 14 -1.053 -7.414 4.248 1.00 96.61 C +ATOM 89 O PRO A 14 0.102 -7.009 4.141 1.00 96.20 O +ATOM 90 CB PRO A 14 -2.022 -8.196 6.429 1.00 95.68 C +ATOM 91 CG PRO A 14 -0.859 -8.062 7.341 1.00 94.47 C +ATOM 92 CD PRO A 14 0.116 -9.125 6.919 1.00 95.76 C +HETATM 93 N HYP A 15 -2.101 -6.858 3.651 1.00 96.29 N +HETATM 94 CA HYP A 15 -1.923 -5.624 2.931 1.00 96.07 C +HETATM 95 C HYP A 15 -1.354 -4.548 3.792 1.00 97.08 C +HETATM 96 O HYP A 15 -1.596 -4.539 5.035 1.00 95.76 O +HETATM 97 CB HYP A 15 -3.362 -5.316 2.484 1.00 94.19 C +HETATM 98 CG HYP A 15 -4.018 -6.657 2.381 1.00 92.45 C +HETATM 99 CD HYP A 15 -3.435 -7.414 3.559 1.00 94.56 C +HETATM 100 OD1 HYP A 15 -3.670 -7.260 1.178 1.00 91.76 O +ATOM 101 N GLY A 16 -0.579 -3.675 3.210 1.00 96.90 N +ATOM 102 CA GLY A 16 -0.052 -2.555 3.941 1.00 96.65 C +ATOM 103 C GLY A 16 -1.149 -1.592 4.354 1.00 96.81 C +ATOM 104 O GLY A 16 -2.306 -1.735 3.949 1.00 96.49 O +ATOM 105 N PRO A 17 -0.785 -0.612 5.168 1.00 96.14 N +ATOM 106 CA PRO A 17 -1.767 0.367 5.607 1.00 96.09 C +ATOM 107 C PRO A 17 -2.236 1.250 4.464 1.00 96.23 C +ATOM 108 O PRO A 17 -1.595 1.324 3.415 1.00 95.49 O +ATOM 109 CB PRO A 17 -1.021 1.168 6.672 1.00 94.89 C +ATOM 110 CG PRO A 17 0.407 0.981 6.351 1.00 93.47 C +ATOM 111 CD PRO A 17 0.546 -0.358 5.704 1.00 95.26 C +HETATM 112 N HYP A 18 -3.395 1.903 4.678 1.00 93.87 N +HETATM 113 CA HYP A 18 -3.847 2.841 3.724 1.00 93.88 C +HETATM 114 C HYP A 18 -2.866 3.929 3.445 1.00 94.56 C +HETATM 115 O HYP A 18 -2.080 4.319 4.354 1.00 93.53 O +HETATM 116 CB HYP A 18 -5.131 3.410 4.395 1.00 91.47 C +HETATM 117 CG HYP A 18 -5.602 2.315 5.305 1.00 90.58 C +HETATM 118 CD HYP A 18 -4.297 1.732 5.799 1.00 93.28 C +HETATM 119 OD1 HYP A 18 -6.320 1.351 4.565 1.00 88.88 O +ATOM 120 N GLY A 19 -2.833 4.391 2.242 1.00 94.52 N +ATOM 121 CA GLY A 19 -1.971 5.481 1.881 1.00 94.55 C +ATOM 122 C GLY A 19 -2.367 6.760 2.594 1.00 94.61 C +ATOM 123 O GLY A 19 -3.409 6.835 3.242 1.00 94.74 O +ATOM 124 N PRO A 20 -1.524 7.768 2.484 1.00 92.90 N +ATOM 125 CA PRO A 20 -1.821 9.036 3.137 1.00 93.06 C +ATOM 126 C PRO A 20 -2.981 9.750 2.469 1.00 92.72 C +ATOM 127 O PRO A 20 -3.326 9.474 1.323 1.00 92.29 O +ATOM 128 CB PRO A 20 -0.519 9.823 2.978 1.00 91.47 C +ATOM 129 CG PRO A 20 0.093 9.267 1.746 1.00 89.03 C +ATOM 130 CD PRO A 20 -0.283 7.809 1.726 1.00 91.52 C +HETATM 131 N HYP A 21 -3.593 10.650 3.233 1.00 92.16 N +HETATM 132 CA HYP A 21 -4.617 11.461 2.676 1.00 92.29 C +HETATM 133 C HYP A 21 -4.164 12.303 1.530 1.00 92.57 C +HETATM 134 O HYP A 21 -3.015 12.760 1.515 1.00 93.69 O +HETATM 135 CB HYP A 21 -5.038 12.371 3.857 1.00 89.29 C +HETATM 136 CG HYP A 21 -4.637 11.641 5.086 1.00 88.95 C +HETATM 137 CD HYP A 21 -3.386 10.923 4.650 1.00 92.01 C +HETATM 138 OD1 HYP A 21 -5.647 10.685 5.405 1.00 88.68 O +ATOM 139 N GLY A 22 -4.960 12.431 0.536 1.00 93.54 N +ATOM 140 CA GLY A 22 -4.676 13.365 -0.520 1.00 92.27 C +ATOM 141 C GLY A 22 -4.830 14.790 -0.008 1.00 92.22 C +ATOM 142 O GLY A 22 -5.277 15.014 1.120 1.00 92.18 O +ATOM 143 N PRO A 23 -4.484 15.783 -0.816 1.00 93.70 N +ATOM 144 CA PRO A 23 -4.660 17.166 -0.392 1.00 93.39 C +ATOM 145 C PRO A 23 -6.138 17.528 -0.424 1.00 91.92 C +ATOM 146 O PRO A 23 -6.754 17.525 -1.484 1.00 88.97 O +ATOM 147 CB PRO A 23 -3.846 17.956 -1.416 1.00 91.01 C +ATOM 148 CG PRO A 23 -3.793 17.088 -2.611 1.00 88.26 C +ATOM 149 CD PRO A 23 -3.897 15.664 -2.135 1.00 92.40 C +HETATM 150 N HYP A 24 -6.767 17.658 0.651 1.00 95.59 N +HETATM 151 CA HYP A 24 -8.247 17.507 0.802 1.00 92.02 C +HETATM 152 C HYP A 24 -8.864 16.265 0.546 1.00 94.88 C +HETATM 153 O HYP A 24 -9.998 16.285 -0.153 1.00 94.01 O +HETATM 154 CB HYP A 24 -8.607 18.289 2.046 1.00 91.43 C +HETATM 155 CG HYP A 24 -7.526 19.354 2.103 1.00 90.27 C +HETATM 156 CD HYP A 24 -6.309 18.738 1.378 1.00 93.63 C +HETATM 157 OD1 HYP A 24 -7.195 19.723 3.422 1.00 91.31 O +HETATM 158 OXT HYP A 24 -9.358 15.520 1.583 1.00 89.53 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_522.txt b/protein_pdb_522.txt new file mode 100644 index 0000000000000000000000000000000000000000..df1d55ba99017f1a22bceeeae374804636f6d85b --- /dev/null +++ b/protein_pdb_522.txt @@ -0,0 +1,163 @@ +ATOM 1 N GLY A 1 -11.306 13.349 3.316 1.00 95.23 N +ATOM 2 CA GLY A 1 -11.488 12.142 2.586 1.00 95.73 C +ATOM 3 C GLY A 1 -11.113 10.901 3.362 1.00 96.44 C +ATOM 4 O GLY A 1 -10.398 10.977 4.361 1.00 95.53 O +ATOM 5 N PRO A 2 -11.554 9.779 2.902 1.00 95.83 N +ATOM 6 CA PRO A 2 -11.248 8.519 3.560 1.00 96.16 C +ATOM 7 C PRO A 2 -9.818 8.081 3.287 1.00 96.31 C +ATOM 8 O PRO A 2 -9.161 8.584 2.380 1.00 95.25 O +ATOM 9 CB PRO A 2 -12.249 7.562 2.933 1.00 94.55 C +ATOM 10 CG PRO A 2 -12.484 8.125 1.583 1.00 91.69 C +ATOM 11 CD PRO A 2 -12.418 9.615 1.745 1.00 94.35 C +HETATM 12 N HYP A 3 -9.385 7.141 4.095 1.00 95.46 N +HETATM 13 CA HYP A 3 -8.047 6.573 3.871 1.00 94.45 C +HETATM 14 C HYP A 3 -7.955 5.869 2.510 1.00 96.09 C +HETATM 15 O HYP A 3 -8.979 5.361 2.027 1.00 96.50 O +HETATM 16 CB HYP A 3 -7.943 5.520 5.011 1.00 94.23 C +HETATM 17 CG HYP A 3 -8.852 6.055 6.103 1.00 91.98 C +HETATM 18 CD HYP A 3 -10.007 6.675 5.288 1.00 94.12 C +HETATM 19 OD1 HYP A 3 -8.176 7.049 6.797 1.00 93.56 O +ATOM 20 N GLY A 4 -6.806 5.910 1.925 1.00 95.93 N +ATOM 21 CA GLY A 4 -6.593 5.251 0.668 1.00 95.57 C +ATOM 22 C GLY A 4 -6.619 3.743 0.816 1.00 95.91 C +ATOM 23 O GLY A 4 -6.643 3.208 1.927 1.00 95.98 O +ATOM 24 N PRO A 5 -6.600 3.030 -0.317 1.00 96.50 N +ATOM 25 CA PRO A 5 -6.620 1.577 -0.284 1.00 96.49 C +ATOM 26 C PRO A 5 -5.298 1.007 0.214 1.00 96.40 C +ATOM 27 O PRO A 5 -4.274 1.684 0.205 1.00 95.81 O +ATOM 28 CB PRO A 5 -6.881 1.193 -1.738 1.00 95.64 C +ATOM 29 CG PRO A 5 -6.309 2.330 -2.512 1.00 93.98 C +ATOM 30 CD PRO A 5 -6.543 3.547 -1.675 1.00 95.79 C +HETATM 31 N HYP A 6 -5.368 -0.254 0.641 1.00 95.95 N +HETATM 32 CA HYP A 6 -4.150 -0.950 1.039 1.00 96.58 C +HETATM 33 C HYP A 6 -3.158 -1.046 -0.117 1.00 96.47 C +HETATM 34 O HYP A 6 -3.570 -1.083 -1.284 1.00 96.16 O +HETATM 35 CB HYP A 6 -4.668 -2.343 1.434 1.00 93.47 C +HETATM 36 CG HYP A 6 -6.115 -2.125 1.836 1.00 93.58 C +HETATM 37 CD HYP A 6 -6.565 -1.050 0.856 1.00 94.67 C +HETATM 38 OD1 HYP A 6 -6.171 -1.620 3.144 1.00 93.13 O +ATOM 39 N GLY A 7 -1.908 -1.049 0.192 1.00 95.72 N +ATOM 40 CA GLY A 7 -0.885 -1.186 -0.802 1.00 95.46 C +ATOM 41 C GLY A 7 -0.908 -2.558 -1.446 1.00 95.81 C +ATOM 42 O GLY A 7 -1.571 -3.477 -0.972 1.00 95.92 O +ATOM 43 N PRO A 8 -0.169 -2.706 -2.534 1.00 96.74 N +ATOM 44 CA PRO A 8 -0.134 -3.980 -3.238 1.00 96.65 C +ATOM 45 C PRO A 8 0.549 -5.073 -2.442 1.00 96.82 C +ATOM 46 O PRO A 8 1.412 -4.808 -1.607 1.00 96.24 O +ATOM 47 CB PRO A 8 0.669 -3.685 -4.510 1.00 95.76 C +ATOM 48 CG PRO A 8 0.729 -2.210 -4.599 1.00 94.50 C +ATOM 49 CD PRO A 8 0.620 -1.692 -3.200 1.00 95.93 C +HETATM 50 N HYP A 9 0.138 -6.338 -2.753 1.00 95.97 N +HETATM 51 CA HYP A 9 0.795 -7.465 -2.180 1.00 95.68 C +HETATM 52 C HYP A 9 2.223 -7.557 -2.695 1.00 96.37 C +HETATM 53 O HYP A 9 2.508 -7.129 -3.812 1.00 95.54 O +HETATM 54 CB HYP A 9 0.066 -8.712 -2.741 1.00 93.55 C +HETATM 55 CG HYP A 9 -1.280 -8.204 -3.124 1.00 92.82 C +HETATM 56 CD HYP A 9 -1.041 -6.775 -3.537 1.00 94.57 C +HETATM 57 OD1 HYP A 9 -2.090 -8.242 -1.973 1.00 92.09 O +ATOM 58 N GLY A 10 3.137 -8.118 -2.078 1.00 95.39 N +ATOM 59 CA GLY A 10 4.475 -8.313 -2.572 1.00 94.57 C +ATOM 60 C GLY A 10 5.153 -9.474 -1.881 1.00 94.23 C +ATOM 61 O GLY A 10 4.648 -10.040 -0.912 1.00 92.82 O +ATOM 62 N TRP A 11 6.339 -9.801 -2.376 1.00 93.72 N +ATOM 63 CA TRP A 11 7.073 -10.926 -1.819 1.00 93.06 C +ATOM 64 C TRP A 11 7.491 -10.685 -0.373 1.00 92.47 C +ATOM 65 O TRP A 11 7.804 -11.636 0.341 1.00 89.75 O +ATOM 66 CB TRP A 11 8.294 -11.231 -2.683 1.00 93.01 C +ATOM 67 CG TRP A 11 9.358 -10.175 -2.675 1.00 88.77 C +ATOM 68 CD1 TRP A 11 9.416 -9.084 -3.487 1.00 87.24 C +ATOM 69 CD2 TRP A 11 10.520 -10.110 -1.836 1.00 87.39 C +ATOM 70 NE1 TRP A 11 10.542 -8.346 -3.209 1.00 79.28 N +ATOM 71 CE2 TRP A 11 11.241 -8.949 -2.191 1.00 83.38 C +ATOM 72 CE3 TRP A 11 11.023 -10.924 -0.814 1.00 81.57 C +ATOM 73 CZ2 TRP A 11 12.440 -8.588 -1.560 1.00 87.74 C +ATOM 74 CZ3 TRP A 11 12.202 -10.566 -0.198 1.00 79.38 C +ATOM 75 CH2 TRP A 11 12.900 -9.412 -0.566 1.00 78.88 C +ATOM 76 N LYS A 12 7.508 -9.437 0.038 1.00 91.19 N +ATOM 77 CA LYS A 12 7.894 -9.120 1.410 1.00 91.22 C +ATOM 78 C LYS A 12 6.755 -9.295 2.412 1.00 91.78 C +ATOM 79 O LYS A 12 7.013 -9.280 3.618 1.00 89.10 O +ATOM 80 CB LYS A 12 8.426 -7.690 1.496 1.00 87.77 C +ATOM 81 CG LYS A 12 9.743 -7.490 0.775 1.00 83.53 C +ATOM 82 CD LYS A 12 10.371 -6.163 1.118 1.00 79.39 C +ATOM 83 CE LYS A 12 11.718 -6.000 0.448 1.00 74.13 C +ATOM 84 NZ LYS A 12 12.419 -4.774 0.912 1.00 69.04 N +ATOM 85 N GLY A 13 5.531 -9.440 1.959 1.00 95.35 N +ATOM 86 CA GLY A 13 4.436 -9.595 2.895 1.00 95.20 C +ATOM 87 C GLY A 13 3.099 -9.188 2.333 1.00 95.84 C +ATOM 88 O GLY A 13 2.927 -9.075 1.116 1.00 95.60 O +ATOM 89 N PRO A 14 2.138 -8.985 3.215 1.00 96.91 N +ATOM 90 CA PRO A 14 0.779 -8.668 2.821 1.00 96.87 C +ATOM 91 C PRO A 14 0.649 -7.254 2.281 1.00 96.91 C +ATOM 92 O PRO A 14 1.623 -6.503 2.229 1.00 96.20 O +ATOM 93 CB PRO A 14 -0.011 -8.847 4.115 1.00 96.01 C +ATOM 94 CG PRO A 14 0.968 -8.526 5.183 1.00 94.49 C +ATOM 95 CD PRO A 14 2.284 -9.026 4.673 1.00 95.85 C +HETATM 96 N HYP A 15 -0.567 -6.940 1.902 1.00 96.08 N +HETATM 97 CA HYP A 15 -0.850 -5.603 1.404 1.00 95.75 C +HETATM 98 C HYP A 15 -0.362 -4.539 2.359 1.00 96.96 C +HETATM 99 O HYP A 15 -0.378 -4.767 3.599 1.00 96.00 O +HETATM 100 CB HYP A 15 -2.374 -5.587 1.278 1.00 94.10 C +HETATM 101 CG HYP A 15 -2.748 -7.037 1.072 1.00 92.67 C +HETATM 102 CD HYP A 15 -1.746 -7.801 1.946 1.00 94.74 C +HETATM 103 OD1 HYP A 15 -2.577 -7.359 -0.261 1.00 92.85 O +ATOM 104 N GLY A 16 0.060 -3.440 1.835 1.00 96.93 N +ATOM 105 CA GLY A 16 0.491 -2.351 2.657 1.00 96.79 C +ATOM 106 C GLY A 16 -0.662 -1.717 3.405 1.00 96.92 C +ATOM 107 O GLY A 16 -1.826 -2.053 3.174 1.00 96.77 O +ATOM 108 N PRO A 17 -0.347 -0.800 4.303 1.00 96.01 N +ATOM 109 CA PRO A 17 -1.391 -0.127 5.062 1.00 95.65 C +ATOM 110 C PRO A 17 -2.201 0.811 4.184 1.00 95.81 C +ATOM 111 O PRO A 17 -1.788 1.177 3.088 1.00 95.20 O +ATOM 112 CB PRO A 17 -0.615 0.639 6.131 1.00 94.92 C +ATOM 113 CG PRO A 17 0.737 0.799 5.577 1.00 93.18 C +ATOM 114 CD PRO A 17 0.989 -0.359 4.670 1.00 94.71 C +HETATM 115 N HYP A 18 -3.385 1.173 4.683 1.00 94.46 N +HETATM 116 CA HYP A 18 -4.179 2.130 3.996 1.00 94.38 C +HETATM 117 C HYP A 18 -3.481 3.437 3.767 1.00 95.87 C +HETATM 118 O HYP A 18 -2.639 3.822 4.611 1.00 95.01 O +HETATM 119 CB HYP A 18 -5.391 2.284 4.928 1.00 92.24 C +HETATM 120 CG HYP A 18 -5.485 0.957 5.673 1.00 92.09 C +HETATM 121 CD HYP A 18 -4.017 0.612 5.858 1.00 94.31 C +HETATM 122 OD1 HYP A 18 -6.106 -0.009 4.857 1.00 91.81 O +ATOM 123 N GLY A 19 -3.753 4.072 2.696 1.00 95.03 N +ATOM 124 CA GLY A 19 -3.176 5.351 2.408 1.00 94.88 C +ATOM 125 C GLY A 19 -3.653 6.407 3.386 1.00 95.01 C +ATOM 126 O GLY A 19 -4.542 6.169 4.199 1.00 95.33 O +ATOM 127 N PRO A 20 -3.056 7.589 3.312 1.00 95.03 N +ATOM 128 CA PRO A 20 -3.429 8.661 4.225 1.00 94.88 C +ATOM 129 C PRO A 20 -4.825 9.180 3.927 1.00 94.94 C +ATOM 130 O PRO A 20 -5.336 9.041 2.816 1.00 94.37 O +ATOM 131 CB PRO A 20 -2.372 9.727 3.965 1.00 93.45 C +ATOM 132 CG PRO A 20 -1.941 9.479 2.567 1.00 90.62 C +ATOM 133 CD PRO A 20 -2.018 7.994 2.378 1.00 93.09 C +HETATM 134 N HYP A 21 -5.421 9.767 4.942 1.00 93.87 N +HETATM 135 CA HYP A 21 -6.685 10.400 4.760 1.00 94.49 C +HETATM 136 C HYP A 21 -6.647 11.520 3.745 1.00 94.29 C +HETATM 137 O HYP A 21 -5.622 12.214 3.661 1.00 95.40 O +HETATM 138 CB HYP A 21 -7.030 10.967 6.150 1.00 92.76 C +HETATM 139 CG HYP A 21 -6.231 10.136 7.126 1.00 91.75 C +HETATM 140 CD HYP A 21 -4.975 9.828 6.346 1.00 93.76 C +HETATM 141 OD1 HYP A 21 -6.927 8.928 7.383 1.00 91.25 O +ATOM 142 N GLY A 22 -7.638 11.656 2.964 1.00 94.93 N +ATOM 143 CA GLY A 22 -7.738 12.780 2.077 1.00 93.89 C +ATOM 144 C GLY A 22 -8.119 14.029 2.857 1.00 93.90 C +ATOM 145 O GLY A 22 -8.423 13.957 4.052 1.00 93.79 O +ATOM 146 N PRO A 23 -8.125 15.191 2.213 1.00 96.42 N +ATOM 147 CA PRO A 23 -8.523 16.418 2.887 1.00 96.08 C +ATOM 148 C PRO A 23 -10.032 16.431 3.088 1.00 95.52 C +ATOM 149 O PRO A 23 -10.786 16.446 2.124 1.00 93.66 O +ATOM 150 CB PRO A 23 -8.057 17.517 1.941 1.00 94.86 C +ATOM 151 CG PRO A 23 -8.038 16.872 0.607 1.00 92.76 C +ATOM 152 CD PRO A 23 -7.736 15.413 0.837 1.00 95.40 C +HETATM 153 N HYP A 24 -10.468 16.267 4.264 1.00 96.28 N +HETATM 154 CA HYP A 24 -11.809 15.669 4.560 1.00 92.50 C +HETATM 155 C HYP A 24 -12.106 14.357 4.258 1.00 95.96 C +HETATM 156 O HYP A 24 -13.334 14.029 3.822 1.00 95.62 O +HETATM 157 CB HYP A 24 -12.324 16.349 5.806 1.00 93.16 C +HETATM 158 CG HYP A 24 -11.563 17.667 5.829 1.00 92.66 C +HETATM 159 CD HYP A 24 -10.214 17.349 5.086 1.00 94.80 C +HETATM 160 OD1 HYP A 24 -11.364 18.179 7.113 1.00 92.05 O +HETATM 161 OXT HYP A 24 -11.774 13.376 5.185 1.00 90.82 O +TER 162 HYP A 24 +END diff --git a/protein_pdb_523.txt b/protein_pdb_523.txt new file mode 100644 index 0000000000000000000000000000000000000000..8d7e2b206697b5cfbb62c65b5a9bf1abad6eb6dc --- /dev/null +++ b/protein_pdb_523.txt @@ -0,0 +1,175 @@ +ATOM 1 N GLY A 1 8.139 36.689 -0.425 1.00 91.34 N +ATOM 2 CA GLY A 1 6.744 36.240 -0.372 1.00 93.23 C +ATOM 3 C GLY A 1 6.598 34.976 0.430 1.00 93.10 C +ATOM 4 O GLY A 1 7.601 34.335 0.765 1.00 91.67 O +ATOM 5 N PRO A 2 5.385 34.573 0.750 1.00 96.83 N +ATOM 6 CA PRO A 2 5.157 33.362 1.530 1.00 97.06 C +ATOM 7 C PRO A 2 5.516 32.116 0.723 1.00 97.31 C +ATOM 8 O PRO A 2 5.431 32.109 -0.498 1.00 96.66 O +ATOM 9 CB PRO A 2 3.667 33.415 1.856 1.00 95.82 C +ATOM 10 CG PRO A 2 3.098 34.161 0.697 1.00 93.87 C +ATOM 11 CD PRO A 2 4.128 35.230 0.413 1.00 95.54 C +HETATM 12 N HYP A 3 5.952 31.143 1.381 1.00 93.75 N +HETATM 13 CA HYP A 3 6.246 29.837 0.749 1.00 93.69 C +HETATM 14 C HYP A 3 5.040 29.267 0.023 1.00 90.58 C +HETATM 15 O HYP A 3 3.896 29.473 0.486 1.00 94.93 O +HETATM 16 CB HYP A 3 6.684 28.953 1.902 1.00 89.92 C +HETATM 17 CG HYP A 3 7.125 29.907 2.983 1.00 91.61 C +HETATM 18 CD HYP A 3 6.210 31.107 2.813 1.00 94.12 C +HETATM 19 OD1 HYP A 3 8.452 30.319 2.812 1.00 94.09 O +ATOM 20 N GLY A 4 5.305 28.554 -1.053 1.00 96.03 N +ATOM 21 CA GLY A 4 4.228 27.924 -1.773 1.00 95.47 C +ATOM 22 C GLY A 4 3.650 26.784 -0.946 1.00 95.53 C +ATOM 23 O GLY A 4 4.251 26.369 0.050 1.00 95.71 O +ATOM 24 N PRO A 5 2.493 26.282 -1.349 1.00 97.14 N +ATOM 25 CA PRO A 5 1.851 25.198 -0.610 1.00 96.78 C +ATOM 26 C PRO A 5 2.660 23.908 -0.693 1.00 96.81 C +ATOM 27 O PRO A 5 3.367 23.666 -1.672 1.00 96.09 O +ATOM 28 CB PRO A 5 0.489 25.063 -1.280 1.00 95.43 C +ATOM 29 CG PRO A 5 0.757 25.516 -2.676 1.00 93.97 C +ATOM 30 CD PRO A 5 1.715 26.678 -2.509 1.00 95.92 C +HETATM 31 N HYP A 6 2.563 23.098 0.294 1.00 94.69 N +HETATM 32 CA HYP A 6 3.240 21.786 0.296 1.00 95.45 C +HETATM 33 C HYP A 6 2.732 20.860 -0.803 1.00 92.98 C +HETATM 34 O HYP A 6 1.548 20.948 -1.147 1.00 94.02 O +HETATM 35 CB HYP A 6 2.821 21.186 1.707 1.00 93.10 C +HETATM 36 CG HYP A 6 2.494 22.405 2.573 1.00 93.34 C +HETATM 37 CD HYP A 6 1.879 23.380 1.573 1.00 94.36 C +HETATM 38 OD1 HYP A 6 3.668 22.949 3.121 1.00 92.74 O +ATOM 39 N GLY A 7 3.615 20.046 -1.327 1.00 95.31 N +ATOM 40 CA GLY A 7 3.211 19.107 -2.342 1.00 94.65 C +ATOM 41 C GLY A 7 2.282 18.075 -1.734 1.00 94.69 C +ATOM 42 O GLY A 7 2.293 17.847 -0.522 1.00 94.87 O +ATOM 43 N ARG A 8 1.471 17.452 -2.591 1.00 95.06 N +ATOM 44 CA ARG A 8 0.541 16.430 -2.121 1.00 95.26 C +ATOM 45 C ARG A 8 1.291 15.164 -1.797 1.00 95.19 C +ATOM 46 O ARG A 8 2.293 14.852 -2.426 1.00 94.72 O +ATOM 47 CB ARG A 8 -0.516 16.151 -3.175 1.00 93.24 C +ATOM 48 CG ARG A 8 -1.357 17.372 -3.481 1.00 87.14 C +ATOM 49 CD ARG A 8 -2.442 17.084 -4.507 1.00 85.33 C +ATOM 50 NE ARG A 8 -3.478 16.203 -3.992 1.00 81.14 N +ATOM 51 CZ ARG A 8 -3.632 14.932 -4.324 1.00 77.96 C +ATOM 52 NH1 ARG A 8 -2.800 14.349 -5.171 1.00 74.40 N +ATOM 53 NH2 ARG A 8 -4.614 14.218 -3.809 1.00 72.98 N +HETATM 54 N HYP A 9 0.813 14.412 -0.844 1.00 91.68 N +HETATM 55 CA HYP A 9 1.439 13.142 -0.491 1.00 92.93 C +HETATM 56 C HYP A 9 1.402 12.160 -1.640 1.00 91.22 C +HETATM 57 O HYP A 9 0.432 12.143 -2.424 1.00 91.10 O +HETATM 58 CB HYP A 9 0.556 12.568 0.703 1.00 91.42 C +HETATM 59 CG HYP A 9 -0.051 13.807 1.300 1.00 90.14 C +HETATM 60 CD HYP A 9 -0.279 14.696 0.112 1.00 90.03 C +HETATM 61 OD1 HYP A 9 0.852 14.413 2.190 1.00 87.90 O +ATOM 62 N GLY A 10 2.425 11.324 -1.729 1.00 93.51 N +ATOM 63 CA GLY A 10 2.470 10.325 -2.764 1.00 92.27 C +ATOM 64 C GLY A 10 1.393 9.275 -2.536 1.00 91.81 C +ATOM 65 O GLY A 10 0.848 9.158 -1.430 1.00 91.51 O +ATOM 66 N LYS A 11 1.107 8.517 -3.565 1.00 93.28 N +ATOM 67 CA LYS A 11 0.103 7.459 -3.462 1.00 93.02 C +ATOM 68 C LYS A 11 0.613 6.345 -2.551 1.00 91.80 C +ATOM 69 O LYS A 11 1.820 6.112 -2.444 1.00 90.95 O +ATOM 70 CB LYS A 11 -0.223 6.890 -4.834 1.00 91.76 C +ATOM 71 CG LYS A 11 -0.912 7.871 -5.762 1.00 86.24 C +ATOM 72 CD LYS A 11 -1.228 7.241 -7.106 1.00 82.51 C +ATOM 73 CE LYS A 11 -1.915 8.219 -8.037 1.00 77.02 C +ATOM 74 NZ LYS A 11 -2.203 7.610 -9.353 1.00 71.72 N +ATOM 75 N ARG A 12 -0.319 5.644 -1.916 1.00 90.72 N +ATOM 76 CA ARG A 12 0.036 4.527 -1.055 1.00 91.25 C +ATOM 77 C ARG A 12 0.642 3.420 -1.915 1.00 91.41 C +ATOM 78 O ARG A 12 0.198 3.171 -3.032 1.00 88.91 O +ATOM 79 CB ARG A 12 -1.208 4.011 -0.326 1.00 88.23 C +ATOM 80 CG ARG A 12 -0.921 2.854 0.608 1.00 79.74 C +ATOM 81 CD ARG A 12 -2.173 2.455 1.366 1.00 75.88 C +ATOM 82 NE ARG A 12 -2.614 3.521 2.266 1.00 70.21 N +ATOM 83 CZ ARG A 12 -3.787 3.546 2.886 1.00 67.02 C +ATOM 84 NH1 ARG A 12 -4.661 2.579 2.710 1.00 63.48 N +ATOM 85 NH2 ARG A 12 -4.096 4.562 3.685 1.00 59.98 N +ATOM 86 N GLY A 13 1.676 2.784 -1.388 1.00 84.75 N +ATOM 87 CA GLY A 13 2.315 1.699 -2.115 1.00 83.46 C +ATOM 88 C GLY A 13 1.351 0.554 -2.363 1.00 82.93 C +ATOM 89 O GLY A 13 0.371 0.382 -1.637 1.00 83.82 O +ATOM 90 N LYS A 14 1.643 -0.242 -3.386 1.00 91.27 N +ATOM 91 CA LYS A 14 0.794 -1.381 -3.706 1.00 92.52 C +ATOM 92 C LYS A 14 0.898 -2.445 -2.616 1.00 92.60 C +ATOM 93 O LYS A 14 1.933 -2.596 -1.977 1.00 92.36 O +ATOM 94 CB LYS A 14 1.207 -1.993 -5.046 1.00 90.52 C +ATOM 95 CG LYS A 14 0.963 -1.079 -6.236 1.00 83.57 C +ATOM 96 CD LYS A 14 1.377 -1.753 -7.529 1.00 80.63 C +ATOM 97 CE LYS A 14 1.143 -0.859 -8.725 1.00 74.22 C +ATOM 98 NZ LYS A 14 1.566 -1.511 -9.979 1.00 69.70 N +ATOM 99 N GLN A 15 -0.189 -3.170 -2.429 1.00 89.36 N +ATOM 100 CA GLN A 15 -0.204 -4.251 -1.450 1.00 91.86 C +ATOM 101 C GLN A 15 0.728 -5.355 -1.942 1.00 93.24 C +ATOM 102 O GLN A 15 0.804 -5.622 -3.134 1.00 91.52 O +ATOM 103 CB GLN A 15 -1.632 -4.778 -1.304 1.00 89.22 C +ATOM 104 CG GLN A 15 -1.772 -5.910 -0.292 1.00 82.84 C +ATOM 105 CD GLN A 15 -3.215 -6.305 -0.097 1.00 77.73 C +ATOM 106 OE1 GLN A 15 -3.982 -6.369 -1.049 1.00 74.98 O +ATOM 107 NE2 GLN A 15 -3.609 -6.575 1.131 1.00 73.48 N +ATOM 108 N GLY A 16 1.441 -5.963 -1.014 1.00 90.46 N +ATOM 109 CA GLY A 16 2.350 -7.038 -1.374 1.00 90.19 C +ATOM 110 C GLY A 16 1.607 -8.263 -1.868 1.00 91.43 C +ATOM 111 O GLY A 16 0.389 -8.367 -1.698 1.00 93.85 O +ATOM 112 N PRO A 17 2.335 -9.217 -2.477 1.00 95.41 N +ATOM 113 CA PRO A 17 1.711 -10.429 -3.005 1.00 95.88 C +ATOM 114 C PRO A 17 1.192 -11.327 -1.897 1.00 95.93 C +ATOM 115 O PRO A 17 1.668 -11.270 -0.769 1.00 95.36 O +ATOM 116 CB PRO A 17 2.830 -11.094 -3.797 1.00 94.57 C +ATOM 117 CG PRO A 17 4.065 -10.649 -3.089 1.00 92.61 C +ATOM 118 CD PRO A 17 3.770 -9.210 -2.734 1.00 94.36 C +HETATM 119 N HYP A 18 0.248 -12.162 -2.203 1.00 93.98 N +HETATM 120 CA HYP A 18 -0.302 -13.131 -1.286 1.00 95.27 C +HETATM 121 C HYP A 18 0.764 -14.078 -0.743 1.00 93.89 C +HETATM 122 O HYP A 18 1.735 -14.369 -1.472 1.00 93.69 O +HETATM 123 CB HYP A 18 -1.318 -13.877 -2.154 1.00 94.36 C +HETATM 124 CG HYP A 18 -1.698 -12.888 -3.223 1.00 92.45 C +HETATM 125 CD HYP A 18 -0.421 -12.162 -3.500 1.00 93.36 C +HETATM 126 OD1 HYP A 18 -2.687 -11.997 -2.781 1.00 93.66 O +ATOM 127 N GLY A 19 0.606 -14.499 0.456 1.00 96.50 N +ATOM 128 CA GLY A 19 1.535 -15.439 1.019 1.00 95.67 C +ATOM 129 C GLY A 19 1.394 -16.788 0.337 1.00 95.84 C +ATOM 130 O GLY A 19 0.442 -17.018 -0.408 1.00 96.29 O +ATOM 131 N PRO A 20 2.349 -17.695 0.573 1.00 97.32 N +ATOM 132 CA PRO A 20 2.314 -19.011 -0.045 1.00 96.99 C +ATOM 133 C PRO A 20 1.166 -19.853 0.486 1.00 97.00 C +ATOM 134 O PRO A 20 0.713 -19.656 1.611 1.00 96.15 O +ATOM 135 CB PRO A 20 3.672 -19.604 0.306 1.00 95.70 C +ATOM 136 CG PRO A 20 4.007 -18.941 1.594 1.00 93.75 C +ATOM 137 CD PRO A 20 3.527 -17.525 1.416 1.00 96.11 C +HETATM 138 N HYP A 21 0.703 -20.830 -0.308 1.00 96.39 N +HETATM 139 CA HYP A 21 -0.326 -21.741 0.104 1.00 95.76 C +HETATM 140 C HYP A 21 0.065 -22.584 1.316 1.00 95.69 C +HETATM 141 O HYP A 21 1.261 -22.892 1.481 1.00 96.58 O +HETATM 142 CB HYP A 21 -0.497 -22.664 -1.135 1.00 94.82 C +HETATM 143 CG HYP A 21 -0.032 -21.851 -2.306 1.00 95.02 C +HETATM 144 CD HYP A 21 1.080 -21.029 -1.723 1.00 96.28 C +HETATM 145 OD1 HYP A 21 -1.046 -20.992 -2.757 1.00 94.03 O +ATOM 146 N GLY A 22 -0.902 -22.918 2.153 1.00 95.22 N +ATOM 147 CA GLY A 22 -0.636 -23.726 3.300 1.00 94.77 C +ATOM 148 C GLY A 22 -0.264 -25.136 2.866 1.00 94.93 C +ATOM 149 O GLY A 22 -0.428 -25.497 1.700 1.00 95.87 O +ATOM 150 N PRO A 23 0.243 -25.950 3.784 1.00 96.90 N +ATOM 151 CA PRO A 23 0.636 -27.317 3.463 1.00 96.67 C +ATOM 152 C PRO A 23 -0.567 -28.184 3.127 1.00 96.60 C +ATOM 153 O PRO A 23 -1.647 -28.010 3.686 1.00 96.25 O +ATOM 154 CB PRO A 23 1.350 -27.777 4.725 1.00 95.16 C +ATOM 155 CG PRO A 23 0.688 -26.984 5.800 1.00 93.14 C +ATOM 156 CD PRO A 23 0.484 -25.629 5.177 1.00 95.41 C +HETATM 157 N HYP A 24 -0.343 -29.208 2.200 1.00 94.67 N +HETATM 158 CA HYP A 24 -1.366 -30.123 1.859 1.00 93.79 C +HETATM 159 C HYP A 24 -1.689 -31.076 2.962 1.00 94.36 C +HETATM 160 O HYP A 24 -0.862 -31.291 3.860 1.00 95.76 O +HETATM 161 CB HYP A 24 -0.752 -31.035 0.722 1.00 92.23 C +HETATM 162 CG HYP A 24 0.245 -30.201 0.089 1.00 92.49 C +HETATM 163 CD HYP A 24 0.795 -29.365 1.268 1.00 92.52 C +HETATM 164 OD1 HYP A 24 -0.357 -29.358 -0.836 1.00 92.67 O +ATOM 165 N GLY A 25 -2.815 -31.699 2.963 1.00 95.28 N +ATOM 166 CA GLY A 25 -3.123 -32.678 3.969 1.00 93.95 C +ATOM 167 C GLY A 25 -4.173 -32.142 4.921 1.00 92.97 C +ATOM 168 O GLY A 25 -4.100 -30.990 5.345 1.00 91.42 O +ATOM 169 N GLY A 26 -5.179 -32.959 5.243 1.00 87.40 N +ATOM 170 CA GLY A 26 -6.234 -32.517 6.123 1.00 80.80 C +ATOM 171 C GLY A 26 -7.604 -32.828 5.541 1.00 75.40 C +ATOM 172 O GLY A 26 -8.476 -31.957 5.574 1.00 72.13 O +ATOM 173 OXT GLY A 26 -7.812 -33.966 5.027 1.00 73.06 O +TER 174 GLY A 26 +END diff --git a/protein_pdb_524.txt b/protein_pdb_524.txt new file mode 100644 index 0000000000000000000000000000000000000000..683b54056adfec8bc8826d8031da312242815211 --- /dev/null +++ b/protein_pdb_524.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -7.369 14.685 -0.564 1.00 92.00 N +ATOM 2 CA GLY A 1 -7.190 13.613 -1.481 1.00 92.82 C +ATOM 3 C GLY A 1 -7.740 12.281 -1.000 1.00 93.91 C +ATOM 4 O GLY A 1 -8.092 12.136 0.168 1.00 92.26 O +ATOM 5 N PRO A 2 -7.771 11.332 -1.865 1.00 92.00 N +ATOM 6 CA PRO A 2 -8.285 10.011 -1.531 1.00 92.68 C +ATOM 7 C PRO A 2 -7.277 9.208 -0.723 1.00 92.94 C +ATOM 8 O PRO A 2 -6.094 9.531 -0.681 1.00 91.61 O +ATOM 9 CB PRO A 2 -8.522 9.389 -2.905 1.00 89.90 C +ATOM 10 CG PRO A 2 -7.494 10.033 -3.765 1.00 86.04 C +ATOM 11 CD PRO A 2 -7.370 11.444 -3.261 1.00 88.56 C +HETATM 12 N HYP A 3 -7.779 8.149 -0.106 1.00 93.08 N +HETATM 13 CA HYP A 3 -6.896 7.247 0.623 1.00 89.68 C +HETATM 14 C HYP A 3 -5.886 6.560 -0.283 1.00 93.27 C +HETATM 15 O HYP A 3 -6.211 6.329 -1.480 1.00 94.23 O +HETATM 16 CB HYP A 3 -7.915 6.165 1.163 1.00 89.50 C +HETATM 17 CG HYP A 3 -9.219 6.909 1.262 1.00 86.51 C +HETATM 18 CD HYP A 3 -9.165 7.849 0.023 1.00 90.72 C +HETATM 19 OD1 HYP A 3 -9.204 7.669 2.432 1.00 89.61 O +ATOM 20 N GLY A 4 -4.717 6.344 0.218 1.00 93.52 N +ATOM 21 CA GLY A 4 -3.708 5.652 -0.535 1.00 92.98 C +ATOM 22 C GLY A 4 -4.071 4.191 -0.741 1.00 93.40 C +ATOM 23 O GLY A 4 -5.009 3.675 -0.137 1.00 93.44 O +ATOM 24 N PRO A 5 -3.314 3.501 -1.603 1.00 92.41 N +ATOM 25 CA PRO A 5 -3.593 2.095 -1.884 1.00 92.08 C +ATOM 26 C PRO A 5 -3.211 1.201 -0.716 1.00 92.23 C +ATOM 27 O PRO A 5 -2.418 1.581 0.143 1.00 90.91 O +ATOM 28 CB PRO A 5 -2.724 1.811 -3.109 1.00 90.43 C +ATOM 29 CG PRO A 5 -1.587 2.755 -2.959 1.00 88.84 C +ATOM 30 CD PRO A 5 -2.161 3.991 -2.340 1.00 91.42 C +HETATM 31 N HYP A 6 -3.809 -0.007 -0.720 1.00 93.15 N +HETATM 32 CA HYP A 6 -3.428 -1.009 0.263 1.00 94.39 C +HETATM 33 C HYP A 6 -1.965 -1.374 0.132 1.00 94.09 C +HETATM 34 O HYP A 6 -1.391 -1.249 -0.973 1.00 93.72 O +HETATM 35 CB HYP A 6 -4.327 -2.212 -0.145 1.00 88.49 C +HETATM 36 CG HYP A 6 -5.524 -1.596 -0.816 1.00 89.17 C +HETATM 37 CD HYP A 6 -4.904 -0.424 -1.581 1.00 91.81 C +HETATM 38 OD1 HYP A 6 -6.401 -1.097 0.170 1.00 89.43 O +ATOM 39 N GLY A 7 -1.346 -1.731 1.203 1.00 93.81 N +ATOM 40 CA GLY A 7 0.019 -2.179 1.173 1.00 93.19 C +ATOM 41 C GLY A 7 0.164 -3.461 0.368 1.00 93.72 C +ATOM 42 O GLY A 7 -0.816 -4.112 0.020 1.00 93.47 O +ATOM 43 N PRO A 8 1.398 -3.831 0.070 1.00 93.62 N +ATOM 44 CA PRO A 8 1.639 -5.009 -0.747 1.00 93.36 C +ATOM 45 C PRO A 8 1.401 -6.308 0.007 1.00 93.64 C +ATOM 46 O PRO A 8 1.594 -6.388 1.217 1.00 91.57 O +ATOM 47 CB PRO A 8 3.103 -4.874 -1.147 1.00 90.98 C +ATOM 48 CG PRO A 8 3.706 -4.093 -0.040 1.00 89.85 C +ATOM 49 CD PRO A 8 2.633 -3.150 0.426 1.00 92.30 C +HETATM 50 N HYP A 9 0.978 -7.333 -0.804 1.00 92.27 N +HETATM 51 CA HYP A 9 0.824 -8.663 -0.240 1.00 92.68 C +HETATM 52 C HYP A 9 2.194 -9.289 -0.152 1.00 93.27 C +HETATM 53 O HYP A 9 3.194 -8.764 -0.609 1.00 92.16 O +HETATM 54 CB HYP A 9 0.199 -9.501 -1.411 1.00 87.73 C +HETATM 55 CG HYP A 9 -0.323 -8.527 -2.369 1.00 89.00 C +HETATM 56 CD HYP A 9 0.518 -7.300 -2.214 1.00 91.09 C +HETATM 57 OD1 HYP A 9 -1.646 -8.202 -1.989 1.00 88.52 O +ATOM 58 N GLY A 10 2.367 -10.475 0.245 1.00 91.51 N +ATOM 59 CA GLY A 10 3.614 -11.185 0.122 1.00 89.68 C +ATOM 60 C GLY A 10 4.072 -11.769 1.432 1.00 89.81 C +ATOM 61 O GLY A 10 3.274 -12.084 2.307 1.00 87.79 O +ATOM 62 N ILE A 11 5.391 -11.917 1.556 1.00 92.27 N +ATOM 63 CA ILE A 11 5.956 -12.578 2.721 1.00 92.05 C +ATOM 64 C ILE A 11 5.705 -11.822 4.017 1.00 91.47 C +ATOM 65 O ILE A 11 5.853 -12.386 5.099 1.00 88.68 O +ATOM 66 CB ILE A 11 7.458 -12.833 2.542 1.00 91.37 C +ATOM 67 CG1 ILE A 11 8.226 -11.521 2.417 1.00 88.77 C +ATOM 68 CG2 ILE A 11 7.705 -13.730 1.335 1.00 86.20 C +ATOM 69 CD1 ILE A 11 9.745 -11.714 2.446 1.00 80.91 C +ATOM 70 N TYR A 12 5.346 -10.560 3.907 1.00 89.55 N +ATOM 71 CA TYR A 12 5.057 -9.760 5.089 1.00 89.15 C +ATOM 72 C TYR A 12 3.590 -9.833 5.517 1.00 89.27 C +ATOM 73 O TYR A 12 3.217 -9.205 6.503 1.00 86.28 O +ATOM 74 CB TYR A 12 5.466 -8.302 4.848 1.00 86.66 C +ATOM 75 CG TYR A 12 6.923 -8.169 4.485 1.00 83.53 C +ATOM 76 CD1 TYR A 12 7.309 -7.783 3.212 1.00 80.84 C +ATOM 77 CD2 TYR A 12 7.920 -8.447 5.414 1.00 78.04 C +ATOM 78 CE1 TYR A 12 8.646 -7.676 2.872 1.00 78.19 C +ATOM 79 CE2 TYR A 12 9.264 -8.346 5.086 1.00 79.73 C +ATOM 80 CZ TYR A 12 9.619 -7.951 3.818 1.00 77.70 C +ATOM 81 OH TYR A 12 10.953 -7.843 3.484 1.00 75.72 O +ATOM 82 N GLY A 13 2.778 -10.584 4.790 1.00 94.29 N +ATOM 83 CA GLY A 13 1.390 -10.774 5.168 1.00 93.79 C +ATOM 84 C GLY A 13 0.418 -10.194 4.161 1.00 94.43 C +ATOM 85 O GLY A 13 0.780 -9.916 3.015 1.00 94.21 O +ATOM 86 N PRO A 14 -0.830 -10.042 4.571 1.00 95.12 N +ATOM 87 CA PRO A 14 -1.859 -9.533 3.675 1.00 95.07 C +ATOM 88 C PRO A 14 -1.648 -8.064 3.352 1.00 95.21 C +ATOM 89 O PRO A 14 -0.785 -7.406 3.929 1.00 93.91 O +ATOM 90 CB PRO A 14 -3.154 -9.755 4.459 1.00 93.61 C +ATOM 91 CG PRO A 14 -2.736 -9.713 5.883 1.00 92.07 C +ATOM 92 CD PRO A 14 -1.349 -10.297 5.914 1.00 93.71 C +HETATM 93 N HYP A 15 -2.498 -7.582 2.419 1.00 94.09 N +HETATM 94 CA HYP A 15 -2.368 -6.193 2.055 1.00 94.47 C +HETATM 95 C HYP A 15 -2.466 -5.290 3.250 1.00 95.98 C +HETATM 96 O HYP A 15 -3.270 -5.563 4.177 1.00 93.97 O +HETATM 97 CB HYP A 15 -3.565 -5.925 1.115 1.00 90.98 C +HETATM 98 CG HYP A 15 -3.885 -7.274 0.565 1.00 89.72 C +HETATM 99 CD HYP A 15 -3.599 -8.218 1.711 1.00 91.90 C +HETATM 100 OD1 HYP A 15 -3.037 -7.553 -0.499 1.00 89.86 O +ATOM 101 N GLY A 16 -1.633 -4.303 3.288 1.00 95.30 N +ATOM 102 CA GLY A 16 -1.696 -3.337 4.351 1.00 94.85 C +ATOM 103 C GLY A 16 -2.935 -2.478 4.228 1.00 95.21 C +ATOM 104 O GLY A 16 -3.652 -2.535 3.227 1.00 94.93 O +ATOM 105 N PRO A 17 -3.193 -1.683 5.247 1.00 93.14 N +ATOM 106 CA PRO A 17 -4.354 -0.802 5.208 1.00 92.79 C +ATOM 107 C PRO A 17 -4.169 0.306 4.183 1.00 93.23 C +ATOM 108 O PRO A 17 -3.054 0.599 3.761 1.00 91.62 O +ATOM 109 CB PRO A 17 -4.430 -0.245 6.625 1.00 91.10 C +ATOM 110 CG PRO A 17 -3.046 -0.354 7.141 1.00 89.82 C +ATOM 111 CD PRO A 17 -2.427 -1.547 6.484 1.00 91.98 C +HETATM 112 N HYP A 18 -5.303 0.899 3.780 1.00 90.77 N +HETATM 113 CA HYP A 18 -5.214 2.023 2.900 1.00 89.98 C +HETATM 114 C HYP A 18 -4.416 3.151 3.488 1.00 90.46 C +HETATM 115 O HYP A 18 -4.422 3.333 4.725 1.00 90.40 O +HETATM 116 CB HYP A 18 -6.704 2.418 2.747 1.00 88.36 C +HETATM 117 CG HYP A 18 -7.462 1.128 2.967 1.00 86.21 C +HETATM 118 CD HYP A 18 -6.664 0.469 4.071 1.00 90.82 C +HETATM 119 OD1 HYP A 18 -7.411 0.337 1.805 1.00 87.80 O +ATOM 120 N GLY A 19 -3.689 3.840 2.670 1.00 90.12 N +ATOM 121 CA GLY A 19 -2.931 4.970 3.123 1.00 89.55 C +ATOM 122 C GLY A 19 -3.843 6.083 3.599 1.00 89.81 C +ATOM 123 O GLY A 19 -5.054 6.046 3.398 1.00 90.60 O +ATOM 124 N PRO A 20 -3.255 7.077 4.237 1.00 88.10 N +ATOM 125 CA PRO A 20 -4.054 8.186 4.735 1.00 88.36 C +ATOM 126 C PRO A 20 -4.571 9.055 3.605 1.00 88.62 C +ATOM 127 O PRO A 20 -4.013 9.077 2.514 1.00 88.36 O +ATOM 128 CB PRO A 20 -3.070 8.957 5.612 1.00 85.90 C +ATOM 129 CG PRO A 20 -1.749 8.661 5.007 1.00 83.18 C +ATOM 130 CD PRO A 20 -1.833 7.245 4.514 1.00 85.96 C +HETATM 131 N HYP A 21 -5.641 9.741 3.900 1.00 91.16 N +HETATM 132 CA HYP A 21 -6.160 10.692 2.935 1.00 90.09 C +HETATM 133 C HYP A 21 -5.174 11.781 2.607 1.00 90.77 C +HETATM 134 O HYP A 21 -4.381 12.170 3.474 1.00 92.44 O +HETATM 135 CB HYP A 21 -7.379 11.284 3.668 1.00 87.34 C +HETATM 136 CG HYP A 21 -7.786 10.259 4.696 1.00 85.60 C +HETATM 137 CD HYP A 21 -6.463 9.657 5.124 1.00 89.95 C +HETATM 138 OD1 HYP A 21 -8.557 9.252 4.050 1.00 86.20 O +ATOM 139 N GLY A 22 -5.117 12.176 1.388 1.00 90.84 N +ATOM 140 CA GLY A 22 -4.313 13.311 1.033 1.00 88.97 C +ATOM 141 C GLY A 22 -4.937 14.581 1.596 1.00 88.82 C +ATOM 142 O GLY A 22 -6.041 14.555 2.140 1.00 88.42 O +ATOM 143 N PRO A 23 -4.254 15.709 1.468 1.00 93.90 N +ATOM 144 CA PRO A 23 -4.824 16.957 1.955 1.00 93.59 C +ATOM 145 C PRO A 23 -5.967 17.391 1.052 1.00 92.92 C +ATOM 146 O PRO A 23 -5.759 17.687 -0.117 1.00 89.66 O +ATOM 147 CB PRO A 23 -3.650 17.930 1.913 1.00 90.76 C +ATOM 148 CG PRO A 23 -2.725 17.366 0.904 1.00 87.81 C +ATOM 149 CD PRO A 23 -2.935 15.869 0.887 1.00 91.13 C +HETATM 150 N HYP A 24 -7.104 17.223 1.428 1.00 94.99 N +HETATM 151 CA HYP A 24 -8.348 17.012 0.594 1.00 90.12 C +HETATM 152 C HYP A 24 -8.497 15.985 -0.332 1.00 94.48 C +HETATM 153 O HYP A 24 -9.438 15.676 -0.924 1.00 93.32 O +HETATM 154 CB HYP A 24 -9.453 17.589 1.376 1.00 88.27 C +HETATM 155 CG HYP A 24 -8.765 18.634 2.242 1.00 88.36 C +HETATM 156 CD HYP A 24 -7.335 18.085 2.468 1.00 91.88 C +HETATM 157 OD1 HYP A 24 -9.417 18.893 3.442 1.00 89.76 O +HETATM 158 OXT HYP A 24 -9.068 15.739 -1.201 1.00 89.29 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_525.txt b/protein_pdb_525.txt new file mode 100644 index 0000000000000000000000000000000000000000..4007b9d5956b1f1e9370d06986b97655f16ce9ee --- /dev/null +++ b/protein_pdb_525.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 10.316 -12.508 1.306 1.00 91.84 N +ATOM 2 CA GLY A 1 10.124 -11.895 0.024 1.00 92.91 C +ATOM 3 C GLY A 1 9.996 -10.389 0.108 1.00 93.30 C +ATOM 4 O GLY A 1 9.881 -9.830 1.194 1.00 91.91 O +ATOM 5 N PRO A 2 9.957 -9.720 -1.030 1.00 93.04 N +ATOM 6 CA PRO A 2 9.855 -8.276 -1.064 1.00 93.15 C +ATOM 7 C PRO A 2 8.440 -7.799 -0.790 1.00 93.03 C +ATOM 8 O PRO A 2 7.488 -8.574 -0.823 1.00 91.62 O +ATOM 9 CB PRO A 2 10.288 -7.936 -2.486 1.00 90.32 C +ATOM 10 CG PRO A 2 9.874 -9.127 -3.273 1.00 87.04 C +ATOM 11 CD PRO A 2 10.088 -10.303 -2.363 1.00 89.85 C +HETATM 12 N HYP A 3 8.340 -6.510 -0.524 1.00 92.05 N +HETATM 13 CA HYP A 3 7.013 -5.919 -0.327 1.00 90.58 C +HETATM 14 C HYP A 3 6.150 -6.050 -1.575 1.00 92.38 C +HETATM 15 O HYP A 3 6.701 -6.090 -2.689 1.00 93.59 O +HETATM 16 CB HYP A 3 7.364 -4.413 -0.086 1.00 90.09 C +HETATM 17 CG HYP A 3 8.780 -4.438 0.477 1.00 88.40 C +HETATM 18 CD HYP A 3 9.430 -5.601 -0.320 1.00 90.74 C +HETATM 19 OD1 HYP A 3 8.721 -4.782 1.822 1.00 89.09 O +ATOM 20 N GLY A 4 4.872 -6.187 -1.362 1.00 93.51 N +ATOM 21 CA GLY A 4 3.956 -6.263 -2.469 1.00 92.87 C +ATOM 22 C GLY A 4 3.851 -4.940 -3.204 1.00 93.10 C +ATOM 23 O GLY A 4 4.375 -3.916 -2.759 1.00 93.60 O +ATOM 24 N PRO A 5 3.178 -4.950 -4.343 1.00 93.14 N +ATOM 25 CA PRO A 5 3.029 -3.734 -5.122 1.00 92.89 C +ATOM 26 C PRO A 5 2.099 -2.743 -4.445 1.00 92.40 C +ATOM 27 O PRO A 5 1.295 -3.106 -3.596 1.00 91.60 O +ATOM 28 CB PRO A 5 2.438 -4.229 -6.439 1.00 91.45 C +ATOM 29 CG PRO A 5 1.693 -5.455 -6.048 1.00 89.79 C +ATOM 30 CD PRO A 5 2.493 -6.086 -4.954 1.00 92.22 C +HETATM 31 N HYP A 6 2.243 -1.466 -4.840 1.00 94.16 N +HETATM 32 CA HYP A 6 1.331 -0.471 -4.349 1.00 94.75 C +HETATM 33 C HYP A 6 -0.091 -0.767 -4.745 1.00 95.25 C +HETATM 34 O HYP A 6 -0.339 -1.409 -5.794 1.00 93.29 O +HETATM 35 CB HYP A 6 1.831 0.806 -5.123 1.00 91.47 C +HETATM 36 CG HYP A 6 3.290 0.532 -5.376 1.00 90.50 C +HETATM 37 CD HYP A 6 3.290 -0.956 -5.704 1.00 92.52 C +HETATM 38 OD1 HYP A 6 4.014 0.757 -4.194 1.00 89.55 O +ATOM 39 N GLY A 7 -1.005 -0.399 -3.905 1.00 93.43 N +ATOM 40 CA GLY A 7 -2.399 -0.558 -4.207 1.00 92.45 C +ATOM 41 C GLY A 7 -2.815 0.326 -5.363 1.00 92.64 C +ATOM 42 O GLY A 7 -2.076 1.195 -5.809 1.00 92.67 O +ATOM 43 N PRO A 8 -4.016 0.091 -5.861 1.00 93.10 N +ATOM 44 CA PRO A 8 -4.501 0.885 -6.982 1.00 92.75 C +ATOM 45 C PRO A 8 -4.830 2.306 -6.561 1.00 92.92 C +ATOM 46 O PRO A 8 -5.063 2.592 -5.393 1.00 91.54 O +ATOM 47 CB PRO A 8 -5.748 0.128 -7.433 1.00 91.11 C +ATOM 48 CG PRO A 8 -6.218 -0.545 -6.206 1.00 90.18 C +ATOM 49 CD PRO A 8 -4.981 -0.903 -5.423 1.00 91.90 C +HETATM 50 N HYP A 9 -4.863 3.210 -7.549 1.00 93.29 N +HETATM 51 CA HYP A 9 -5.245 4.550 -7.293 1.00 91.95 C +HETATM 52 C HYP A 9 -6.687 4.636 -6.886 1.00 93.28 C +HETATM 53 O HYP A 9 -7.506 3.797 -7.263 1.00 91.63 O +HETATM 54 CB HYP A 9 -5.094 5.241 -8.689 1.00 88.15 C +HETATM 55 CG HYP A 9 -4.138 4.393 -9.428 1.00 88.81 C +HETATM 56 CD HYP A 9 -4.383 3.004 -8.944 1.00 91.37 C +HETATM 57 OD1 HYP A 9 -2.828 4.761 -9.046 1.00 86.29 O +ATOM 58 N GLY A 10 -7.067 5.577 -6.088 1.00 92.50 N +ATOM 59 CA GLY A 10 -8.455 5.889 -5.846 1.00 90.69 C +ATOM 60 C GLY A 10 -9.063 6.499 -7.090 1.00 90.44 C +ATOM 61 O GLY A 10 -8.478 6.481 -8.172 1.00 89.47 O +ATOM 62 N PHE A 11 -10.267 7.061 -6.937 1.00 92.92 N +ATOM 63 CA PHE A 11 -10.909 7.656 -8.107 1.00 94.06 C +ATOM 64 C PHE A 11 -10.010 8.678 -8.788 1.00 94.41 C +ATOM 65 O PHE A 11 -9.998 8.777 -10.017 1.00 93.60 O +ATOM 66 CB PHE A 11 -12.233 8.295 -7.703 1.00 93.09 C +ATOM 67 CG PHE A 11 -13.256 7.301 -7.233 1.00 89.01 C +ATOM 68 CD1 PHE A 11 -13.650 6.268 -8.057 1.00 86.58 C +ATOM 69 CD2 PHE A 11 -13.806 7.394 -5.973 1.00 86.82 C +ATOM 70 CE1 PHE A 11 -14.580 5.344 -7.629 1.00 85.65 C +ATOM 71 CE2 PHE A 11 -14.745 6.469 -5.536 1.00 86.45 C +ATOM 72 CZ PHE A 11 -15.139 5.448 -6.372 1.00 85.91 C +ATOM 73 N SER A 12 -9.250 9.422 -8.000 1.00 93.68 N +ATOM 74 CA SER A 12 -8.210 10.297 -8.519 1.00 94.23 C +ATOM 75 C SER A 12 -7.082 10.405 -7.496 1.00 94.62 C +ATOM 76 O SER A 12 -6.288 11.344 -7.537 1.00 91.36 O +ATOM 77 CB SER A 12 -8.773 11.686 -8.853 1.00 90.93 C +ATOM 78 OG SER A 12 -9.299 12.289 -7.695 1.00 84.13 O +ATOM 79 N GLY A 13 -7.022 9.459 -6.595 1.00 95.21 N +ATOM 80 CA GLY A 13 -6.102 9.509 -5.488 1.00 94.61 C +ATOM 81 C GLY A 13 -4.834 8.728 -5.728 1.00 95.16 C +ATOM 82 O GLY A 13 -4.665 8.094 -6.770 1.00 95.15 O +ATOM 83 N PRO A 14 -3.943 8.771 -4.763 1.00 95.30 N +ATOM 84 CA PRO A 14 -2.664 8.096 -4.896 1.00 95.16 C +ATOM 85 C PRO A 14 -2.805 6.588 -4.772 1.00 95.31 C +ATOM 86 O PRO A 14 -3.807 6.077 -4.290 1.00 94.37 O +ATOM 87 CB PRO A 14 -1.844 8.664 -3.735 1.00 93.92 C +ATOM 88 CG PRO A 14 -2.871 8.963 -2.701 1.00 92.34 C +ATOM 89 CD PRO A 14 -4.078 9.440 -3.468 1.00 93.96 C +HETATM 90 N HYP A 15 -1.767 5.931 -5.209 1.00 94.97 N +HETATM 91 CA HYP A 15 -1.695 4.499 -5.002 1.00 94.87 C +HETATM 92 C HYP A 15 -1.686 4.153 -3.546 1.00 95.58 C +HETATM 93 O HYP A 15 -1.228 4.962 -2.700 1.00 93.98 O +HETATM 94 CB HYP A 15 -0.305 4.181 -5.654 1.00 91.92 C +HETATM 95 CG HYP A 15 -0.105 5.260 -6.689 1.00 90.74 C +HETATM 96 CD HYP A 15 -0.680 6.484 -6.027 1.00 93.18 C +HETATM 97 OD1 HYP A 15 -0.834 4.937 -7.842 1.00 90.04 O +ATOM 98 N GLY A 16 -2.207 3.018 -3.222 1.00 95.94 N +ATOM 99 CA GLY A 16 -2.122 2.534 -1.874 1.00 95.77 C +ATOM 100 C GLY A 16 -0.698 2.174 -1.508 1.00 95.81 C +ATOM 101 O GLY A 16 0.199 2.177 -2.356 1.00 95.62 O +ATOM 102 N PRO A 17 -0.490 1.871 -0.236 1.00 93.63 N +ATOM 103 CA PRO A 17 0.851 1.511 0.207 1.00 93.25 C +ATOM 104 C PRO A 17 1.261 0.150 -0.321 1.00 93.62 C +ATOM 105 O PRO A 17 0.427 -0.654 -0.720 1.00 92.58 O +ATOM 106 CB PRO A 17 0.724 1.513 1.733 1.00 91.88 C +ATOM 107 CG PRO A 17 -0.704 1.189 1.966 1.00 90.20 C +ATOM 108 CD PRO A 17 -1.465 1.837 0.846 1.00 91.90 C +HETATM 109 N HYP A 18 2.583 -0.083 -0.300 1.00 91.87 N +HETATM 110 CA HYP A 18 3.059 -1.385 -0.657 1.00 91.65 C +HETATM 111 C HYP A 18 2.510 -2.467 0.233 1.00 93.76 C +HETATM 112 O HYP A 18 2.209 -2.212 1.413 1.00 90.79 O +HETATM 113 CB HYP A 18 4.591 -1.235 -0.413 1.00 89.60 C +HETATM 114 CG HYP A 18 4.860 0.252 -0.610 1.00 88.04 C +HETATM 115 CD HYP A 18 3.607 0.892 -0.006 1.00 91.63 C +HETATM 116 OD1 HYP A 18 4.906 0.527 -1.999 1.00 87.33 O +ATOM 117 N GLY A 19 2.328 -3.614 -0.298 1.00 92.03 N +ATOM 118 CA GLY A 19 1.906 -4.741 0.481 1.00 91.68 C +ATOM 119 C GLY A 19 2.986 -5.166 1.455 1.00 91.50 C +ATOM 120 O GLY A 19 4.111 -4.675 1.421 1.00 92.25 O +ATOM 121 N PRO A 20 2.629 -6.089 2.339 1.00 89.63 N +ATOM 122 CA PRO A 20 3.598 -6.567 3.313 1.00 89.26 C +ATOM 123 C PRO A 20 4.669 -7.417 2.662 1.00 89.01 C +ATOM 124 O PRO A 20 4.501 -7.907 1.548 1.00 89.52 O +ATOM 125 CB PRO A 20 2.743 -7.381 4.279 1.00 87.01 C +ATOM 126 CG PRO A 20 1.607 -7.842 3.442 1.00 83.96 C +ATOM 127 CD PRO A 20 1.339 -6.744 2.458 1.00 86.02 C +HETATM 128 N HYP A 21 5.779 -7.568 3.384 1.00 91.65 N +HETATM 129 CA HYP A 21 6.812 -8.451 2.901 1.00 89.76 C +HETATM 130 C HYP A 21 6.329 -9.876 2.709 1.00 92.37 C +HETATM 131 O HYP A 21 5.466 -10.325 3.450 1.00 92.12 O +HETATM 132 CB HYP A 21 7.897 -8.387 3.980 1.00 88.53 C +HETATM 133 CG HYP A 21 7.680 -7.050 4.655 1.00 85.06 C +HETATM 134 CD HYP A 21 6.164 -6.872 4.622 1.00 90.56 C +HETATM 135 OD1 HYP A 21 8.269 -6.026 3.853 1.00 83.97 O +ATOM 136 N GLY A 22 6.773 -10.509 1.673 1.00 90.50 N +ATOM 137 CA GLY A 22 6.450 -11.888 1.457 1.00 88.69 C +ATOM 138 C GLY A 22 7.149 -12.766 2.486 1.00 88.22 C +ATOM 139 O GLY A 22 7.956 -12.294 3.282 1.00 88.71 O +ATOM 140 N PRO A 23 6.860 -14.062 2.468 1.00 92.81 N +ATOM 141 CA PRO A 23 7.533 -14.980 3.379 1.00 92.69 C +ATOM 142 C PRO A 23 9.026 -14.976 3.102 1.00 91.42 C +ATOM 143 O PRO A 23 9.438 -15.134 1.956 1.00 88.41 O +ATOM 144 CB PRO A 23 6.924 -16.336 3.048 1.00 89.98 C +ATOM 145 CG PRO A 23 5.655 -16.011 2.352 1.00 86.89 C +ATOM 146 CD PRO A 23 5.902 -14.731 1.622 1.00 90.47 C +HETATM 147 N HYP A 24 9.817 -14.752 4.007 1.00 93.66 N +HETATM 148 CA HYP A 24 11.258 -14.479 3.725 1.00 89.23 C +HETATM 149 C HYP A 24 11.532 -13.638 2.601 1.00 93.19 C +HETATM 150 O HYP A 24 12.245 -12.531 2.627 1.00 92.43 O +HETATM 151 CB HYP A 24 11.931 -14.640 4.940 1.00 89.69 C +HETATM 152 CG HYP A 24 11.037 -15.631 5.743 1.00 88.32 C +HETATM 153 CD HYP A 24 9.610 -15.406 5.215 1.00 91.96 C +HETATM 154 OD1 HYP A 24 11.092 -15.356 7.105 1.00 89.32 O +HETATM 155 OXT HYP A 24 11.547 -14.194 1.440 1.00 89.64 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_526.txt b/protein_pdb_526.txt new file mode 100644 index 0000000000000000000000000000000000000000..abcb9c1fe8e6fc3943e5b40c960bc0cca7b95c7f --- /dev/null +++ b/protein_pdb_526.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 12.225 -1.311 -10.051 1.00 92.60 N +ATOM 2 CA GLY A 1 11.269 -0.260 -9.923 1.00 93.22 C +ATOM 3 C GLY A 1 11.077 0.194 -8.491 1.00 94.11 C +ATOM 4 O GLY A 1 11.468 -0.488 -7.554 1.00 92.72 O +ATOM 5 N PRO A 2 10.488 1.283 -8.348 1.00 93.70 N +ATOM 6 CA PRO A 2 10.211 1.809 -7.022 1.00 94.18 C +ATOM 7 C PRO A 2 9.085 1.050 -6.347 1.00 94.34 C +ATOM 8 O PRO A 2 8.360 0.287 -6.985 1.00 92.87 O +ATOM 9 CB PRO A 2 9.817 3.258 -7.305 1.00 91.91 C +ATOM 10 CG PRO A 2 9.206 3.186 -8.656 1.00 88.30 C +ATOM 11 CD PRO A 2 10.015 2.165 -9.407 1.00 91.16 C +HETATM 12 N HYP A 3 8.980 1.259 -5.044 1.00 93.38 N +HETATM 13 CA HYP A 3 7.863 0.636 -4.334 1.00 89.78 C +HETATM 14 C HYP A 3 6.546 1.093 -4.855 1.00 91.97 C +HETATM 15 O HYP A 3 6.436 2.241 -5.341 1.00 94.47 O +HETATM 16 CB HYP A 3 8.075 1.174 -2.869 1.00 90.21 C +HETATM 17 CG HYP A 3 9.548 1.431 -2.795 1.00 86.53 C +HETATM 18 CD HYP A 3 9.876 1.972 -4.195 1.00 91.10 C +HETATM 19 OD1 HYP A 3 10.209 0.224 -2.587 1.00 89.74 O +ATOM 20 N GLY A 4 5.594 0.202 -4.817 1.00 93.52 N +ATOM 21 CA GLY A 4 4.270 0.524 -5.270 1.00 92.98 C +ATOM 22 C GLY A 4 3.619 1.561 -4.373 1.00 93.30 C +ATOM 23 O GLY A 4 4.133 1.893 -3.302 1.00 93.55 O +ATOM 24 N PRO A 5 2.475 2.088 -4.794 1.00 93.81 N +ATOM 25 CA PRO A 5 1.780 3.090 -4.004 1.00 93.38 C +ATOM 26 C PRO A 5 1.164 2.486 -2.755 1.00 93.43 C +ATOM 27 O PRO A 5 0.985 1.276 -2.659 1.00 92.39 O +ATOM 28 CB PRO A 5 0.712 3.607 -4.955 1.00 91.72 C +ATOM 29 CG PRO A 5 0.435 2.446 -5.840 1.00 90.27 C +ATOM 30 CD PRO A 5 1.759 1.767 -6.022 1.00 92.47 C +HETATM 31 N HYP A 6 0.860 3.362 -1.789 1.00 93.45 N +HETATM 32 CA HYP A 6 0.184 2.902 -0.608 1.00 93.69 C +HETATM 33 C HYP A 6 -1.159 2.299 -0.921 1.00 92.69 C +HETATM 34 O HYP A 6 -1.805 2.709 -1.906 1.00 93.72 O +HETATM 35 CB HYP A 6 -0.029 4.250 0.174 1.00 88.50 C +HETATM 36 CG HYP A 6 1.073 5.123 -0.318 1.00 88.74 C +HETATM 37 CD HYP A 6 1.158 4.757 -1.787 1.00 91.54 C +HETATM 38 OD1 HYP A 6 2.273 4.765 0.329 1.00 89.53 O +ATOM 39 N GLY A 7 -1.506 1.306 -0.170 1.00 94.01 N +ATOM 40 CA GLY A 7 -2.785 0.673 -0.349 1.00 92.99 C +ATOM 41 C GLY A 7 -3.913 1.646 -0.065 1.00 93.82 C +ATOM 42 O GLY A 7 -3.707 2.731 0.473 1.00 93.66 O +ATOM 43 N PRO A 8 -5.121 1.265 -0.434 1.00 95.02 N +ATOM 44 CA PRO A 8 -6.267 2.135 -0.209 1.00 94.66 C +ATOM 45 C PRO A 8 -6.633 2.205 1.258 1.00 94.74 C +ATOM 46 O PRO A 8 -6.303 1.327 2.045 1.00 93.29 O +ATOM 47 CB PRO A 8 -7.376 1.474 -1.022 1.00 92.82 C +ATOM 48 CG PRO A 8 -7.007 0.039 -1.005 1.00 91.56 C +ATOM 49 CD PRO A 8 -5.500 0.013 -1.070 1.00 93.78 C +HETATM 50 N HYP A 9 -7.336 3.280 1.615 1.00 92.57 N +HETATM 51 CA HYP A 9 -7.824 3.419 2.928 1.00 92.58 C +HETATM 52 C HYP A 9 -8.897 2.390 3.190 1.00 93.77 C +HETATM 53 O HYP A 9 -9.673 2.042 2.290 1.00 92.32 O +HETATM 54 CB HYP A 9 -8.509 4.831 2.918 1.00 87.99 C +HETATM 55 CG HYP A 9 -7.858 5.532 1.798 1.00 88.19 C +HETATM 56 CD HYP A 9 -7.600 4.494 0.813 1.00 91.14 C +HETATM 57 OD1 HYP A 9 -6.638 6.093 2.221 1.00 87.78 O +ATOM 58 N GLY A 10 -8.952 1.829 4.360 1.00 92.41 N +ATOM 59 CA GLY A 10 -10.052 0.978 4.755 1.00 89.98 C +ATOM 60 C GLY A 10 -11.244 1.838 5.131 1.00 89.71 C +ATOM 61 O GLY A 10 -11.226 3.064 4.998 1.00 88.57 O +ATOM 62 N ASN A 11 -12.288 1.187 5.614 1.00 92.91 N +ATOM 63 CA ASN A 11 -13.429 1.949 6.106 1.00 93.14 C +ATOM 64 C ASN A 11 -13.012 2.870 7.238 1.00 93.37 C +ATOM 65 O ASN A 11 -13.590 3.938 7.426 1.00 91.25 O +ATOM 66 CB ASN A 11 -14.527 1.003 6.578 1.00 90.97 C +ATOM 67 CG ASN A 11 -15.171 0.268 5.433 1.00 85.77 C +ATOM 68 OD1 ASN A 11 -15.339 0.808 4.346 1.00 83.40 O +ATOM 69 ND2 ASN A 11 -15.554 -0.973 5.671 1.00 79.01 N +ATOM 70 N TYR A 12 -12.005 2.428 7.998 1.00 91.55 N +ATOM 71 CA TYR A 12 -11.442 3.213 9.076 1.00 91.75 C +ATOM 72 C TYR A 12 -10.002 2.770 9.274 1.00 90.47 C +ATOM 73 O TYR A 12 -9.741 1.573 9.404 1.00 86.88 O +ATOM 74 CB TYR A 12 -12.232 3.004 10.368 1.00 90.85 C +ATOM 75 CG TYR A 12 -11.680 3.806 11.525 1.00 87.11 C +ATOM 76 CD1 TYR A 12 -11.953 5.157 11.631 1.00 84.75 C +ATOM 77 CD2 TYR A 12 -10.865 3.219 12.485 1.00 82.87 C +ATOM 78 CE1 TYR A 12 -11.435 5.913 12.675 1.00 82.25 C +ATOM 79 CE2 TYR A 12 -10.339 3.960 13.526 1.00 83.12 C +ATOM 80 CZ TYR A 12 -10.634 5.304 13.620 1.00 82.26 C +ATOM 81 OH TYR A 12 -10.114 6.052 14.652 1.00 81.81 O +ATOM 82 N GLY A 13 -9.092 3.717 9.281 1.00 92.89 N +ATOM 83 CA GLY A 13 -7.704 3.389 9.515 1.00 91.49 C +ATOM 84 C GLY A 13 -6.805 3.920 8.423 1.00 92.03 C +ATOM 85 O GLY A 13 -7.268 4.470 7.427 1.00 91.54 O +ATOM 86 N PRO A 14 -5.498 3.766 8.616 1.00 93.82 N +ATOM 87 CA PRO A 14 -4.525 4.286 7.666 1.00 93.57 C +ATOM 88 C PRO A 14 -4.514 3.498 6.374 1.00 93.81 C +ATOM 89 O PRO A 14 -5.026 2.387 6.294 1.00 92.97 O +ATOM 90 CB PRO A 14 -3.203 4.151 8.405 1.00 92.04 C +ATOM 91 CG PRO A 14 -3.413 2.969 9.283 1.00 90.95 C +ATOM 92 CD PRO A 14 -4.850 3.072 9.726 1.00 92.21 C +HETATM 93 N HYP A 15 -3.920 4.121 5.403 1.00 93.09 N +HETATM 94 CA HYP A 15 -3.706 3.420 4.136 1.00 92.97 C +HETATM 95 C HYP A 15 -2.841 2.218 4.309 1.00 94.38 C +HETATM 96 O HYP A 15 -2.064 2.154 5.290 1.00 92.92 O +HETATM 97 CB HYP A 15 -2.971 4.546 3.346 1.00 90.53 C +HETATM 98 CG HYP A 15 -3.414 5.833 3.996 1.00 89.39 C +HETATM 99 CD HYP A 15 -3.493 5.490 5.456 1.00 91.38 C +HETATM 100 OD1 HYP A 15 -4.672 6.208 3.525 1.00 89.63 O +ATOM 101 N GLY A 16 -2.992 1.269 3.427 1.00 94.40 N +ATOM 102 CA GLY A 16 -2.173 0.095 3.467 1.00 93.95 C +ATOM 103 C GLY A 16 -0.720 0.425 3.201 1.00 94.51 C +ATOM 104 O GLY A 16 -0.384 1.544 2.810 1.00 94.25 O +ATOM 105 N PRO A 17 0.156 -0.561 3.405 1.00 92.24 N +ATOM 106 CA PRO A 17 1.575 -0.340 3.168 1.00 91.59 C +ATOM 107 C PRO A 17 1.873 -0.222 1.689 1.00 92.23 C +ATOM 108 O PRO A 17 1.088 -0.645 0.843 1.00 90.84 O +ATOM 109 CB PRO A 17 2.230 -1.574 3.782 1.00 89.89 C +ATOM 110 CG PRO A 17 1.188 -2.620 3.648 1.00 88.47 C +ATOM 111 CD PRO A 17 -0.120 -1.916 3.858 1.00 90.05 C +HETATM 112 N HYP A 18 3.028 0.367 1.377 1.00 87.97 N +HETATM 113 CA HYP A 18 3.462 0.410 0.040 1.00 87.18 C +HETATM 114 C HYP A 18 3.640 -0.942 -0.571 1.00 89.76 C +HETATM 115 O HYP A 18 3.961 -1.911 0.148 1.00 89.97 O +HETATM 116 CB HYP A 18 4.831 1.120 0.157 1.00 86.83 C +HETATM 117 CG HYP A 18 4.696 1.973 1.392 1.00 84.06 C +HETATM 118 CD HYP A 18 3.875 1.078 2.294 1.00 89.08 C +HETATM 119 OD1 HYP A 18 3.956 3.147 1.096 1.00 86.65 O +ATOM 120 N GLY A 19 3.392 -1.059 -1.828 1.00 90.02 N +ATOM 121 CA GLY A 19 3.597 -2.293 -2.531 1.00 89.15 C +ATOM 122 C GLY A 19 5.073 -2.623 -2.632 1.00 89.61 C +ATOM 123 O GLY A 19 5.935 -1.811 -2.301 1.00 90.62 O +ATOM 124 N PRO A 20 5.379 -3.831 -3.087 1.00 87.40 N +ATOM 125 CA PRO A 20 6.768 -4.238 -3.222 1.00 87.16 C +ATOM 126 C PRO A 20 7.445 -3.511 -4.364 1.00 86.92 C +ATOM 127 O PRO A 20 6.795 -2.948 -5.245 1.00 87.86 O +ATOM 128 CB PRO A 20 6.660 -5.733 -3.497 1.00 85.08 C +ATOM 129 CG PRO A 20 5.352 -5.872 -4.173 1.00 81.16 C +ATOM 130 CD PRO A 20 4.453 -4.861 -3.516 1.00 82.92 C +HETATM 131 N HYP A 21 8.781 -3.505 -4.312 1.00 84.96 N +HETATM 132 CA HYP A 21 9.516 -2.954 -5.392 1.00 86.59 C +HETATM 133 C HYP A 21 9.213 -3.582 -6.728 1.00 85.17 C +HETATM 134 O HYP A 21 8.971 -4.790 -6.785 1.00 89.85 O +HETATM 135 CB HYP A 21 10.986 -3.211 -5.006 1.00 83.99 C +HETATM 136 CG HYP A 21 10.979 -3.331 -3.530 1.00 81.42 C +HETATM 137 CD HYP A 21 9.652 -3.990 -3.249 1.00 85.54 C +HETATM 138 OD1 HYP A 21 10.962 -2.020 -2.955 1.00 84.88 O +ATOM 139 N GLY A 22 9.107 -2.779 -7.757 1.00 86.74 N +ATOM 140 CA GLY A 22 8.887 -3.274 -9.080 1.00 83.17 C +ATOM 141 C GLY A 22 10.145 -3.938 -9.625 1.00 82.72 C +ATOM 142 O GLY A 22 11.200 -3.891 -8.994 1.00 83.43 O +ATOM 143 N PRO A 23 10.062 -4.550 -10.797 1.00 92.60 N +ATOM 144 CA PRO A 23 11.224 -5.201 -11.385 1.00 91.89 C +ATOM 145 C PRO A 23 12.190 -4.156 -11.916 1.00 91.22 C +ATOM 146 O PRO A 23 11.892 -3.448 -12.870 1.00 88.69 O +ATOM 147 CB PRO A 23 10.627 -6.054 -12.494 1.00 88.63 C +ATOM 148 CG PRO A 23 9.392 -5.329 -12.882 1.00 85.44 C +ATOM 149 CD PRO A 23 8.873 -4.702 -11.617 1.00 89.62 C +HETATM 150 N HYP A 24 13.243 -3.969 -11.236 1.00 94.49 N +HETATM 151 CA HYP A 24 14.144 -2.764 -11.136 1.00 90.62 C +HETATM 152 C HYP A 24 13.790 -1.599 -10.611 1.00 93.68 C +HETATM 153 O HYP A 24 13.973 -0.433 -11.163 1.00 93.86 O +HETATM 154 CB HYP A 24 15.513 -3.286 -11.202 1.00 89.53 C +HETATM 155 CG HYP A 24 15.366 -4.615 -11.924 1.00 88.79 C +HETATM 156 CD HYP A 24 13.953 -5.114 -11.563 1.00 92.58 C +HETATM 157 OD1 HYP A 24 16.332 -5.524 -11.525 1.00 89.95 O +HETATM 158 OXT HYP A 24 13.980 -1.358 -9.263 1.00 89.72 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_527.txt b/protein_pdb_527.txt new file mode 100644 index 0000000000000000000000000000000000000000..4cdeb67cfba3a4dba76df793352e46a389ad004e --- /dev/null +++ b/protein_pdb_527.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 15.363 -0.236 -2.729 1.00 81.80 N +ATOM 2 CA GLY A 1 14.488 -1.258 -3.286 1.00 85.03 C +ATOM 3 C GLY A 1 13.212 -0.654 -3.808 1.00 86.72 C +ATOM 4 O GLY A 1 12.995 0.549 -3.707 1.00 82.98 O +ATOM 5 N PRO A 2 12.334 -1.483 -4.349 1.00 84.92 N +ATOM 6 CA PRO A 2 11.089 -0.986 -4.911 1.00 86.88 C +ATOM 7 C PRO A 2 10.119 -0.524 -3.841 1.00 87.64 C +ATOM 8 O PRO A 2 10.245 -0.864 -2.673 1.00 85.07 O +ATOM 9 CB PRO A 2 10.536 -2.192 -5.669 1.00 83.06 C +ATOM 10 CG PRO A 2 11.110 -3.360 -4.963 1.00 79.61 C +ATOM 11 CD PRO A 2 12.466 -2.938 -4.487 1.00 80.88 C +HETATM 12 N HYP A 3 9.221 0.246 -4.270 1.00 85.36 N +HETATM 13 CA HYP A 3 8.113 0.681 -3.386 1.00 83.05 C +HETATM 14 C HYP A 3 7.385 -0.511 -2.816 1.00 86.08 C +HETATM 15 O HYP A 3 7.306 -1.577 -3.479 1.00 89.34 O +HETATM 16 CB HYP A 3 7.204 1.454 -4.351 1.00 85.71 C +HETATM 17 CG HYP A 3 8.109 1.921 -5.477 1.00 81.82 C +HETATM 18 CD HYP A 3 9.089 0.735 -5.630 1.00 84.84 C +HETATM 19 OD1 HYP A 3 8.831 3.044 -5.046 1.00 85.69 O +ATOM 20 N GLY A 4 6.894 -0.353 -1.620 1.00 88.82 N +ATOM 21 CA GLY A 4 6.108 -1.391 -1.008 1.00 88.79 C +ATOM 22 C GLY A 4 4.753 -1.531 -1.670 1.00 89.91 C +ATOM 23 O GLY A 4 4.371 -0.744 -2.537 1.00 90.00 O +ATOM 24 N PRO A 5 4.008 -2.545 -1.255 1.00 90.02 N +ATOM 25 CA PRO A 5 2.690 -2.764 -1.826 1.00 90.58 C +ATOM 26 C PRO A 5 1.699 -1.711 -1.359 1.00 90.53 C +ATOM 27 O PRO A 5 1.927 -1.023 -0.366 1.00 88.60 O +ATOM 28 CB PRO A 5 2.315 -4.150 -1.311 1.00 88.26 C +ATOM 29 CG PRO A 5 3.060 -4.277 -0.036 1.00 86.91 C +ATOM 30 CD PRO A 5 4.344 -3.531 -0.231 1.00 89.22 C +HETATM 31 N HYP A 6 0.606 -1.590 -2.112 1.00 89.48 N +HETATM 32 CA HYP A 6 -0.472 -0.730 -1.697 1.00 93.45 C +HETATM 33 C HYP A 6 -0.978 -1.089 -0.333 1.00 89.18 C +HETATM 34 O HYP A 6 -0.942 -2.279 0.075 1.00 88.71 O +HETATM 35 CB HYP A 6 -1.534 -1.015 -2.790 1.00 85.26 C +HETATM 36 CG HYP A 6 -0.750 -1.439 -4.007 1.00 85.03 C +HETATM 37 CD HYP A 6 0.363 -2.261 -3.387 1.00 88.43 C +HETATM 38 OD1 HYP A 6 -0.208 -0.309 -4.640 1.00 86.45 O +ATOM 39 N GLY A 7 -1.403 -0.101 0.398 1.00 90.91 N +ATOM 40 CA GLY A 7 -1.974 -0.326 1.693 1.00 89.76 C +ATOM 41 C GLY A 7 -3.275 -1.095 1.614 1.00 90.23 C +ATOM 42 O GLY A 7 -3.799 -1.369 0.532 1.00 89.56 O +ATOM 43 N PRO A 8 -3.800 -1.449 2.771 1.00 91.91 N +ATOM 44 CA PRO A 8 -5.029 -2.230 2.790 1.00 91.75 C +ATOM 45 C PRO A 8 -6.226 -1.420 2.333 1.00 91.71 C +ATOM 46 O PRO A 8 -6.262 -0.205 2.451 1.00 89.07 O +ATOM 47 CB PRO A 8 -5.169 -2.652 4.254 1.00 89.03 C +ATOM 48 CG PRO A 8 -4.359 -1.693 5.016 1.00 88.18 C +ATOM 49 CD PRO A 8 -3.273 -1.191 4.110 1.00 90.19 C +HETATM 50 N HYP A 9 -7.220 -2.134 1.833 1.00 86.95 N +HETATM 51 CA HYP A 9 -8.432 -1.535 1.400 1.00 87.97 C +HETATM 52 C HYP A 9 -9.251 -1.075 2.579 1.00 87.07 C +HETATM 53 O HYP A 9 -9.224 -1.702 3.652 1.00 87.08 O +HETATM 54 CB HYP A 9 -9.205 -2.751 0.769 1.00 81.44 C +HETATM 55 CG HYP A 9 -8.181 -3.806 0.508 1.00 82.80 C +HETATM 56 CD HYP A 9 -7.167 -3.594 1.555 1.00 86.60 C +HETATM 57 OD1 HYP A 9 -7.586 -3.538 -0.748 1.00 82.14 O +ATOM 58 N GLY A 10 -9.938 0.008 2.491 1.00 89.31 N +ATOM 59 CA GLY A 10 -10.931 0.367 3.473 1.00 85.83 C +ATOM 60 C GLY A 10 -12.251 -0.325 3.177 1.00 85.97 C +ATOM 61 O GLY A 10 -12.368 -1.107 2.239 1.00 83.54 O +ATOM 62 N ASP A 11 -13.252 -0.027 3.990 1.00 84.74 N +ATOM 63 CA ASP A 11 -14.582 -0.555 3.691 1.00 86.94 C +ATOM 64 C ASP A 11 -15.065 -0.034 2.345 1.00 86.78 C +ATOM 65 O ASP A 11 -15.721 -0.757 1.591 1.00 84.54 O +ATOM 66 CB ASP A 11 -15.565 -0.158 4.791 1.00 83.68 C +ATOM 67 CG ASP A 11 -15.340 -0.926 6.076 1.00 78.64 C +ATOM 68 OD1 ASP A 11 -14.819 -2.056 6.024 1.00 77.89 O +ATOM 69 OD2 ASP A 11 -15.705 -0.397 7.140 1.00 74.98 O +ATOM 70 N PHE A 12 -14.741 1.207 2.064 1.00 86.84 N +ATOM 71 CA PHE A 12 -14.976 1.836 0.778 1.00 88.89 C +ATOM 72 C PHE A 12 -13.731 2.643 0.448 1.00 88.44 C +ATOM 73 O PHE A 12 -13.102 3.197 1.340 1.00 84.98 O +ATOM 74 CB PHE A 12 -16.188 2.776 0.818 1.00 85.88 C +ATOM 75 CG PHE A 12 -17.489 2.070 1.068 1.00 81.97 C +ATOM 76 CD1 PHE A 12 -18.156 1.454 0.028 1.00 79.39 C +ATOM 77 CD2 PHE A 12 -18.043 2.012 2.333 1.00 76.63 C +ATOM 78 CE1 PHE A 12 -19.355 0.791 0.245 1.00 75.04 C +ATOM 79 CE2 PHE A 12 -19.236 1.346 2.557 1.00 77.41 C +ATOM 80 CZ PHE A 12 -19.900 0.736 1.513 1.00 75.00 C +ATOM 81 N GLY A 13 -13.409 2.708 -0.833 1.00 90.48 N +ATOM 82 CA GLY A 13 -12.270 3.504 -1.250 1.00 89.42 C +ATOM 83 C GLY A 13 -11.100 2.645 -1.659 1.00 90.43 C +ATOM 84 O GLY A 13 -11.070 1.434 -1.413 1.00 89.96 O +ATOM 85 N PRO A 14 -10.148 3.264 -2.299 1.00 90.04 N +ATOM 86 CA PRO A 14 -9.026 2.532 -2.861 1.00 89.78 C +ATOM 87 C PRO A 14 -8.045 2.077 -1.794 1.00 90.20 C +ATOM 88 O PRO A 14 -8.050 2.555 -0.666 1.00 88.72 O +ATOM 89 CB PRO A 14 -8.377 3.546 -3.800 1.00 87.78 C +ATOM 90 CG PRO A 14 -8.683 4.853 -3.172 1.00 87.11 C +ATOM 91 CD PRO A 14 -10.049 4.704 -2.559 1.00 86.72 C +HETATM 92 N HYP A 15 -7.230 1.197 -2.232 1.00 88.58 N +HETATM 93 CA HYP A 15 -6.106 0.780 -1.403 1.00 89.57 C +HETATM 94 C HYP A 15 -5.231 1.961 -1.095 1.00 89.88 C +HETATM 95 O HYP A 15 -5.245 2.963 -1.850 1.00 89.50 O +HETATM 96 CB HYP A 15 -5.421 -0.207 -2.368 1.00 86.32 C +HETATM 97 CG HYP A 15 -6.534 -0.720 -3.283 1.00 82.14 C +HETATM 98 CD HYP A 15 -7.376 0.508 -3.507 1.00 87.52 C +HETATM 99 OD1 HYP A 15 -7.292 -1.701 -2.642 1.00 85.39 O +ATOM 100 N GLY A 16 -4.548 1.886 -0.015 1.00 92.71 N +ATOM 101 CA GLY A 16 -3.616 2.934 0.320 1.00 92.37 C +ATOM 102 C GLY A 16 -2.481 3.015 -0.673 1.00 93.10 C +ATOM 103 O GLY A 16 -2.345 2.175 -1.565 1.00 92.53 O +ATOM 104 N PRO A 17 -1.662 4.040 -0.519 1.00 91.61 N +ATOM 105 CA PRO A 17 -0.538 4.208 -1.431 1.00 91.68 C +ATOM 106 C PRO A 17 0.524 3.146 -1.203 1.00 92.41 C +ATOM 107 O PRO A 17 0.575 2.500 -0.161 1.00 90.65 O +ATOM 108 CB PRO A 17 -0.016 5.597 -1.091 1.00 89.61 C +ATOM 109 CG PRO A 17 -0.413 5.799 0.325 1.00 88.81 C +ATOM 110 CD PRO A 17 -1.708 5.080 0.505 1.00 90.03 C +HETATM 111 N HYP A 18 1.364 2.980 -2.201 1.00 86.87 N +HETATM 112 CA HYP A 18 2.482 2.116 -2.061 1.00 91.05 C +HETATM 113 C HYP A 18 3.350 2.532 -0.902 1.00 87.08 C +HETATM 114 O HYP A 18 3.411 3.734 -0.554 1.00 88.55 O +HETATM 115 CB HYP A 18 3.237 2.326 -3.389 1.00 85.42 C +HETATM 116 CG HYP A 18 2.164 2.713 -4.392 1.00 84.40 C +HETATM 117 CD HYP A 18 1.246 3.562 -3.533 1.00 88.41 C +HETATM 118 OD1 HYP A 18 1.486 1.551 -4.825 1.00 85.86 O +ATOM 119 N GLY A 19 3.944 1.571 -0.283 1.00 87.82 N +ATOM 120 CA GLY A 19 4.864 1.848 0.788 1.00 87.45 C +ATOM 121 C GLY A 19 6.098 2.570 0.287 1.00 88.22 C +ATOM 122 O GLY A 19 6.298 2.744 -0.912 1.00 88.54 O +ATOM 123 N PRO A 20 6.928 2.992 1.215 1.00 83.20 N +ATOM 124 CA PRO A 20 8.134 3.695 0.838 1.00 83.59 C +ATOM 125 C PRO A 20 9.122 2.780 0.143 1.00 83.72 C +ATOM 126 O PRO A 20 9.066 1.565 0.275 1.00 83.46 O +ATOM 127 CB PRO A 20 8.681 4.200 2.173 1.00 80.42 C +ATOM 128 CG PRO A 20 8.159 3.233 3.165 1.00 76.80 C +ATOM 129 CD PRO A 20 6.809 2.811 2.666 1.00 79.21 C +HETATM 130 N HYP A 21 10.013 3.396 -0.575 1.00 83.75 N +HETATM 131 CA HYP A 21 11.056 2.648 -1.203 1.00 84.98 C +HETATM 132 C HYP A 21 11.920 1.901 -0.208 1.00 82.19 C +HETATM 133 O HYP A 21 12.039 2.355 0.943 1.00 88.62 O +HETATM 134 CB HYP A 21 11.893 3.718 -1.909 1.00 82.24 C +HETATM 135 CG HYP A 21 10.947 4.875 -2.138 1.00 77.92 C +HETATM 136 CD HYP A 21 10.072 4.826 -0.906 1.00 85.44 C +HETATM 137 OD1 HYP A 21 10.128 4.595 -3.275 1.00 84.31 O +ATOM 138 N GLY A 22 12.350 0.754 -0.568 1.00 82.72 N +ATOM 139 CA GLY A 22 13.271 0.029 0.262 1.00 80.25 C +ATOM 140 C GLY A 22 14.611 0.740 0.325 1.00 80.00 C +ATOM 141 O GLY A 22 14.805 1.799 -0.263 1.00 79.40 O +ATOM 142 N PRO A 23 15.560 0.150 1.038 1.00 83.04 N +ATOM 143 CA PRO A 23 16.874 0.763 1.131 1.00 83.65 C +ATOM 144 C PRO A 23 17.547 0.806 -0.226 1.00 82.04 C +ATOM 145 O PRO A 23 17.234 0.029 -1.120 1.00 77.60 O +ATOM 146 CB PRO A 23 17.622 -0.133 2.115 1.00 78.76 C +ATOM 147 CG PRO A 23 16.906 -1.421 2.060 1.00 76.30 C +ATOM 148 CD PRO A 23 15.476 -1.115 1.745 1.00 79.04 C +HETATM 149 N HYP A 24 18.444 1.648 -0.426 1.00 86.15 N +HETATM 150 CA HYP A 24 19.048 1.769 -1.741 1.00 76.44 C +HETATM 151 C HYP A 24 19.068 0.580 -2.534 1.00 82.78 C +HETATM 152 O HYP A 24 20.075 -0.124 -2.530 1.00 76.22 O +HETATM 153 CB HYP A 24 20.264 2.605 -1.578 1.00 80.92 C +HETATM 154 CG HYP A 24 20.112 3.282 -0.229 1.00 79.00 C +HETATM 155 CD HYP A 24 19.199 2.359 0.576 1.00 84.79 C +HETATM 156 OD1 HYP A 24 19.428 4.528 -0.381 1.00 81.13 O +HETATM 157 OXT HYP A 24 18.033 0.375 -3.207 1.00 78.66 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_528.txt b/protein_pdb_528.txt new file mode 100644 index 0000000000000000000000000000000000000000..b27406cbdd8b09eb6bc11f97a4f8eda1d6364116 --- /dev/null +++ b/protein_pdb_528.txt @@ -0,0 +1,113 @@ +ATOM 1 N GLY A 1 -5.511 -25.680 -6.365 1.00 75.74 N +ATOM 2 CA GLY A 1 -4.431 -25.350 -5.427 1.00 78.14 C +ATOM 3 C GLY A 1 -4.794 -24.143 -4.577 1.00 79.84 C +ATOM 4 O GLY A 1 -5.818 -23.500 -4.820 1.00 77.94 O +ATOM 5 N PRO A 2 -3.990 -23.815 -3.585 1.00 80.38 N +ATOM 6 CA PRO A 2 -4.283 -22.679 -2.718 1.00 86.83 C +ATOM 7 C PRO A 2 -4.154 -21.354 -3.456 1.00 87.97 C +ATOM 8 O PRO A 2 -3.455 -21.246 -4.470 1.00 84.18 O +ATOM 9 CB PRO A 2 -3.252 -22.806 -1.594 1.00 83.17 C +ATOM 10 CG PRO A 2 -2.102 -23.476 -2.263 1.00 79.54 C +ATOM 11 CD PRO A 2 -2.743 -24.486 -3.185 1.00 79.94 C +ATOM 12 N ALA A 3 -4.851 -20.355 -2.939 1.00 85.98 N +ATOM 13 CA ALA A 3 -4.783 -19.025 -3.533 1.00 89.42 C +ATOM 14 C ALA A 3 -3.382 -18.450 -3.364 1.00 91.07 C +ATOM 15 O ALA A 3 -2.672 -18.772 -2.407 1.00 88.24 O +ATOM 16 CB ALA A 3 -5.797 -18.102 -2.869 1.00 86.25 C +ATOM 17 N GLY A 4 -3.020 -17.594 -4.287 1.00 92.47 N +ATOM 18 CA GLY A 4 -1.716 -16.960 -4.220 1.00 92.88 C +ATOM 19 C GLY A 4 -1.676 -15.925 -3.106 1.00 93.32 C +ATOM 20 O GLY A 4 -2.690 -15.651 -2.460 1.00 94.02 O +ATOM 21 N PRO A 5 -0.515 -15.337 -2.880 1.00 95.81 N +ATOM 22 CA PRO A 5 -0.372 -14.347 -1.813 1.00 96.15 C +ATOM 23 C PRO A 5 -1.072 -13.041 -2.156 1.00 96.20 C +ATOM 24 O PRO A 5 -1.326 -12.744 -3.318 1.00 95.19 O +ATOM 25 CB PRO A 5 1.141 -14.168 -1.705 1.00 95.05 C +ATOM 26 CG PRO A 5 1.617 -14.429 -3.095 1.00 93.48 C +ATOM 27 CD PRO A 5 0.765 -15.573 -3.563 1.00 94.82 C +HETATM 28 N HYP A 6 -1.367 -12.276 -1.160 1.00 96.26 N +HETATM 29 CA HYP A 6 -1.906 -10.953 -1.351 1.00 96.06 C +HETATM 30 C HYP A 6 -0.977 -10.070 -2.137 1.00 96.58 C +HETATM 31 O HYP A 6 0.253 -10.247 -2.009 1.00 95.16 O +HETATM 32 CB HYP A 6 -2.062 -10.432 0.121 1.00 94.10 C +HETATM 33 CG HYP A 6 -2.139 -11.695 0.942 1.00 93.72 C +HETATM 34 CD HYP A 6 -1.246 -12.659 0.260 1.00 95.18 C +HETATM 35 OD1 HYP A 6 -3.463 -12.194 0.955 1.00 92.81 O +ATOM 36 N GLY A 7 -1.533 -9.174 -2.907 1.00 97.14 N +ATOM 37 CA GLY A 7 -0.707 -8.260 -3.659 1.00 96.98 C +ATOM 38 C GLY A 7 -0.013 -7.291 -2.714 1.00 97.34 C +ATOM 39 O GLY A 7 -0.266 -7.280 -1.506 1.00 96.99 O +ATOM 40 N PRO A 8 0.873 -6.474 -3.261 1.00 96.90 N +ATOM 41 CA PRO A 8 1.603 -5.519 -2.430 1.00 97.06 C +ATOM 42 C PRO A 8 0.698 -4.397 -1.924 1.00 97.23 C +ATOM 43 O PRO A 8 -0.341 -4.118 -2.515 1.00 96.36 O +ATOM 44 CB PRO A 8 2.689 -4.994 -3.370 1.00 95.94 C +ATOM 45 CG PRO A 8 2.038 -5.104 -4.713 1.00 94.28 C +ATOM 46 CD PRO A 8 1.283 -6.398 -4.657 1.00 96.18 C +HETATM 47 N HYP A 9 1.082 -3.766 -0.845 1.00 96.49 N +HETATM 48 CA HYP A 9 0.374 -2.604 -0.335 1.00 96.95 C +HETATM 49 C HYP A 9 0.366 -1.491 -1.354 1.00 96.97 C +HETATM 50 O HYP A 9 1.333 -1.342 -2.110 1.00 95.46 O +HETATM 51 CB HYP A 9 1.252 -2.206 0.913 1.00 94.87 C +HETATM 52 CG HYP A 9 1.924 -3.468 1.306 1.00 94.57 C +HETATM 53 CD HYP A 9 2.184 -4.174 0.027 1.00 95.34 C +HETATM 54 OD1 HYP A 9 1.055 -4.267 2.099 1.00 93.11 O +ATOM 55 N GLY A 10 -0.718 -0.725 -1.366 1.00 97.22 N +ATOM 56 CA GLY A 10 -0.812 0.395 -2.267 1.00 97.25 C +ATOM 57 C GLY A 10 0.175 1.480 -1.868 1.00 97.51 C +ATOM 58 O GLY A 10 0.814 1.407 -0.818 1.00 97.28 O +ATOM 59 N PRO A 11 0.299 2.503 -2.705 1.00 96.73 N +ATOM 60 CA PRO A 11 1.226 3.586 -2.411 1.00 96.77 C +ATOM 61 C PRO A 11 0.740 4.433 -1.236 1.00 96.84 C +ATOM 62 O PRO A 11 -0.448 4.467 -0.930 1.00 95.77 O +ATOM 63 CB PRO A 11 1.270 4.380 -3.708 1.00 95.62 C +ATOM 64 CG PRO A 11 -0.084 4.136 -4.288 1.00 94.19 C +ATOM 65 CD PRO A 11 -0.373 2.690 -3.982 1.00 96.27 C +HETATM 66 N HYP A 12 1.672 5.117 -0.561 1.00 96.38 N +HETATM 67 CA HYP A 12 1.299 6.046 0.468 1.00 96.58 C +HETATM 68 C HYP A 12 0.384 7.124 -0.027 1.00 96.65 C +HETATM 69 O HYP A 12 0.496 7.560 -1.174 1.00 95.62 O +HETATM 70 CB HYP A 12 2.669 6.649 0.875 1.00 95.31 C +HETATM 71 CG HYP A 12 3.682 5.616 0.526 1.00 94.51 C +HETATM 72 CD HYP A 12 3.113 5.019 -0.709 1.00 95.15 C +HETATM 73 OD1 HYP A 12 3.744 4.598 1.518 1.00 93.25 O +ATOM 74 N GLY A 13 -0.547 7.570 0.814 1.00 96.53 N +ATOM 75 CA GLY A 13 -1.446 8.625 0.461 1.00 96.56 C +ATOM 76 C GLY A 13 -0.686 9.933 0.331 1.00 96.90 C +ATOM 77 O GLY A 13 0.485 10.027 0.708 1.00 96.63 O +ATOM 78 N PRO A 14 -1.338 10.951 -0.192 1.00 97.03 N +ATOM 79 CA PRO A 14 -0.688 12.250 -0.337 1.00 96.96 C +ATOM 80 C PRO A 14 -0.452 12.891 1.019 1.00 97.21 C +ATOM 81 O PRO A 14 -1.121 12.567 2.000 1.00 96.44 O +ATOM 82 CB PRO A 14 -1.671 13.047 -1.195 1.00 95.87 C +ATOM 83 CG PRO A 14 -2.986 12.439 -0.839 1.00 94.60 C +ATOM 84 CD PRO A 14 -2.702 10.968 -0.707 1.00 96.23 C +HETATM 85 N HYP A 15 0.513 13.831 1.101 1.00 96.37 N +HETATM 86 CA HYP A 15 0.716 14.562 2.303 1.00 96.35 C +HETATM 87 C HYP A 15 -0.491 15.320 2.738 1.00 96.15 C +HETATM 88 O HYP A 15 -1.247 15.812 1.910 1.00 94.66 O +HETATM 89 CB HYP A 15 1.869 15.536 1.948 1.00 95.31 C +HETATM 90 CG HYP A 15 2.592 14.844 0.845 1.00 94.35 C +HETATM 91 CD HYP A 15 1.492 14.153 0.095 1.00 95.18 C +HETATM 92 OD1 HYP A 15 3.479 13.836 1.336 1.00 92.59 O +ATOM 93 N GLY A 16 -0.723 15.372 4.067 1.00 94.83 N +ATOM 94 CA GLY A 16 -1.859 16.074 4.611 1.00 94.35 C +ATOM 95 C GLY A 16 -1.706 17.570 4.406 1.00 94.81 C +ATOM 96 O GLY A 16 -0.652 18.050 3.992 1.00 94.14 O +ATOM 97 N PRO A 17 -2.761 18.329 4.712 1.00 93.59 N +ATOM 98 CA PRO A 17 -2.696 19.774 4.547 1.00 93.27 C +ATOM 99 C PRO A 17 -1.780 20.403 5.588 1.00 93.43 C +ATOM 100 O PRO A 17 -1.496 19.807 6.634 1.00 91.00 O +ATOM 101 CB PRO A 17 -4.147 20.219 4.730 1.00 91.02 C +ATOM 102 CG PRO A 17 -4.684 19.200 5.681 1.00 89.97 C +ATOM 103 CD PRO A 17 -4.056 17.897 5.217 1.00 91.62 C +ATOM 104 N PRO A 18 -1.289 21.617 5.315 1.00 95.06 N +ATOM 105 CA PRO A 18 -0.423 22.286 6.288 1.00 93.90 C +ATOM 106 C PRO A 18 -1.241 22.759 7.494 1.00 92.07 C +ATOM 107 O PRO A 18 -2.480 22.788 7.425 1.00 88.93 O +ATOM 108 CB PRO A 18 0.168 23.456 5.490 1.00 90.79 C +ATOM 109 CG PRO A 18 -0.905 23.765 4.501 1.00 90.35 C +ATOM 110 CD PRO A 18 -1.419 22.413 4.075 1.00 91.36 C +ATOM 111 OXT PRO A 18 -0.653 23.113 8.526 1.00 84.24 O +TER 112 PRO A 18 +END diff --git a/protein_pdb_529.txt b/protein_pdb_529.txt new file mode 100644 index 0000000000000000000000000000000000000000..61d7f56706a804ac9c4e7921cb26d2d1870014eb --- /dev/null +++ b/protein_pdb_529.txt @@ -0,0 +1,115 @@ +ATOM 1 N GLY A 1 -4.707 17.551 -20.651 1.00 84.38 N +ATOM 2 CA GLY A 1 -3.801 16.502 -20.202 1.00 86.57 C +ATOM 3 C GLY A 1 -4.547 15.394 -19.501 1.00 88.22 C +ATOM 4 O GLY A 1 -5.764 15.473 -19.313 1.00 85.79 O +ATOM 5 N SER A 2 -3.837 14.382 -19.098 1.00 84.44 N +ATOM 6 CA SER A 2 -4.445 13.256 -18.410 1.00 87.86 C +ATOM 7 C SER A 2 -3.667 12.969 -17.130 1.00 88.00 C +ATOM 8 O SER A 2 -2.525 13.380 -16.984 1.00 84.98 O +ATOM 9 CB SER A 2 -4.459 12.020 -19.299 1.00 82.79 C +ATOM 10 OG SER A 2 -3.156 11.650 -19.659 1.00 75.48 O +HETATM 11 N HYP A 3 -4.280 12.281 -16.278 1.00 90.81 N +HETATM 12 CA HYP A 3 -3.644 11.902 -15.015 1.00 88.80 C +HETATM 13 C HYP A 3 -2.398 11.042 -15.234 1.00 92.22 C +HETATM 14 O HYP A 3 -2.374 10.193 -16.182 1.00 93.41 O +HETATM 15 CB HYP A 3 -4.740 11.061 -14.311 1.00 90.87 C +HETATM 16 CG HYP A 3 -6.024 11.530 -14.942 1.00 88.44 C +HETATM 17 CD HYP A 3 -5.652 11.802 -16.384 1.00 90.00 C +HETATM 18 OD1 HYP A 3 -6.464 12.731 -14.366 1.00 89.77 O +ATOM 19 N GLY A 4 -1.423 11.264 -14.376 1.00 94.74 N +ATOM 20 CA GLY A 4 -0.220 10.470 -14.448 1.00 93.56 C +ATOM 21 C GLY A 4 -0.488 9.041 -14.011 1.00 93.73 C +ATOM 22 O GLY A 4 -1.604 8.699 -13.583 1.00 94.16 O +ATOM 23 N PRO A 5 0.508 8.201 -14.119 1.00 95.73 N +ATOM 24 CA PRO A 5 0.337 6.800 -13.739 1.00 95.49 C +ATOM 25 C PRO A 5 0.179 6.645 -12.230 1.00 95.21 C +ATOM 26 O PRO A 5 0.602 7.494 -11.457 1.00 93.95 O +ATOM 27 CB PRO A 5 1.620 6.142 -14.240 1.00 94.11 C +ATOM 28 CG PRO A 5 2.616 7.234 -14.183 1.00 92.85 C +ATOM 29 CD PRO A 5 1.861 8.474 -14.589 1.00 94.82 C +HETATM 30 N HYP A 6 -0.406 5.556 -11.826 1.00 96.09 N +HETATM 31 CA HYP A 6 -0.510 5.249 -10.415 1.00 96.37 C +HETATM 32 C HYP A 6 0.845 5.054 -9.743 1.00 94.98 C +HETATM 33 O HYP A 6 1.809 4.623 -10.413 1.00 95.32 O +HETATM 34 CB HYP A 6 -1.251 3.832 -10.458 1.00 93.64 C +HETATM 35 CG HYP A 6 -2.011 3.873 -11.745 1.00 91.48 C +HETATM 36 CD HYP A 6 -1.091 4.609 -12.687 1.00 94.72 C +HETATM 37 OD1 HYP A 6 -3.200 4.593 -11.580 1.00 91.63 O +ATOM 38 N GLY A 7 0.885 5.400 -8.481 1.00 96.73 N +ATOM 39 CA GLY A 7 2.107 5.214 -7.728 1.00 96.47 C +ATOM 40 C GLY A 7 2.400 3.734 -7.550 1.00 96.80 C +ATOM 41 O GLY A 7 1.620 2.870 -7.952 1.00 96.61 O +ATOM 42 N PRO A 8 3.535 3.442 -6.938 1.00 96.73 N +ATOM 43 CA PRO A 8 3.915 2.048 -6.718 1.00 96.76 C +ATOM 44 C PRO A 8 3.019 1.369 -5.689 1.00 96.71 C +ATOM 45 O PRO A 8 2.394 2.025 -4.865 1.00 95.61 O +ATOM 46 CB PRO A 8 5.359 2.152 -6.225 1.00 95.62 C +ATOM 47 CG PRO A 8 5.404 3.484 -5.581 1.00 94.53 C +ATOM 48 CD PRO A 8 4.526 4.364 -6.426 1.00 96.45 C +HETATM 49 N HYP A 9 2.952 0.055 -5.720 1.00 96.86 N +HETATM 50 CA HYP A 9 2.223 -0.712 -4.734 1.00 96.85 C +HETATM 51 C HYP A 9 2.746 -0.518 -3.339 1.00 97.19 C +HETATM 52 O HYP A 9 3.935 -0.257 -3.136 1.00 95.60 O +HETATM 53 CB HYP A 9 2.557 -2.195 -5.206 1.00 95.43 C +HETATM 54 CG HYP A 9 2.790 -2.044 -6.656 1.00 94.75 C +HETATM 55 CD HYP A 9 3.482 -0.741 -6.777 1.00 95.52 C +HETATM 56 OD1 HYP A 9 1.560 -1.972 -7.358 1.00 93.24 O +ATOM 57 N GLY A 10 1.816 -0.560 -2.380 1.00 96.71 N +ATOM 58 CA GLY A 10 2.202 -0.446 -0.994 1.00 96.69 C +ATOM 59 C GLY A 10 2.986 -1.666 -0.550 1.00 96.93 C +ATOM 60 O GLY A 10 3.134 -2.639 -1.297 1.00 96.65 O +ATOM 61 N PRO A 11 3.490 -1.614 0.667 1.00 96.41 N +ATOM 62 CA PRO A 11 4.278 -2.732 1.183 1.00 96.09 C +ATOM 63 C PRO A 11 3.421 -3.958 1.466 1.00 96.01 C +ATOM 64 O PRO A 11 2.216 -3.851 1.680 1.00 95.33 O +ATOM 65 CB PRO A 11 4.891 -2.166 2.459 1.00 94.97 C +ATOM 66 CG PRO A 11 3.895 -1.156 2.893 1.00 94.26 C +ATOM 67 CD PRO A 11 3.383 -0.530 1.625 1.00 96.06 C +HETATM 68 N HYP A 12 4.042 -5.138 1.478 1.00 96.55 N +HETATM 69 CA HYP A 12 3.374 -6.346 1.866 1.00 96.69 C +HETATM 70 C HYP A 12 2.844 -6.289 3.289 1.00 96.05 C +HETATM 71 O HYP A 12 3.428 -5.623 4.149 1.00 96.19 O +HETATM 72 CB HYP A 12 4.516 -7.387 1.786 1.00 95.09 C +HETATM 73 CG HYP A 12 5.489 -6.837 0.820 1.00 95.30 C +HETATM 74 CD HYP A 12 5.409 -5.389 1.074 1.00 96.00 C +HETATM 75 OD1 HYP A 12 5.090 -7.086 -0.519 1.00 94.24 O +ATOM 76 N GLY A 13 1.739 -6.942 3.526 1.00 95.94 N +ATOM 77 CA GLY A 13 1.203 -7.032 4.856 1.00 95.79 C +ATOM 78 C GLY A 13 2.083 -7.901 5.727 1.00 96.24 C +ATOM 79 O GLY A 13 3.003 -8.568 5.244 1.00 96.30 O +ATOM 80 N PRO A 14 1.813 -7.907 7.019 1.00 96.44 N +ATOM 81 CA PRO A 14 2.613 -8.718 7.930 1.00 96.09 C +ATOM 82 C PRO A 14 2.343 -10.200 7.734 1.00 96.01 C +ATOM 83 O PRO A 14 1.284 -10.593 7.255 1.00 95.45 O +ATOM 84 CB PRO A 14 2.172 -8.239 9.310 1.00 94.77 C +ATOM 85 CG PRO A 14 0.770 -7.785 9.086 1.00 93.99 C +ATOM 86 CD PRO A 14 0.776 -7.158 7.715 1.00 95.97 C +HETATM 87 N HYP A 15 3.315 -11.061 8.124 1.00 96.07 N +HETATM 88 CA HYP A 15 3.093 -12.462 8.095 1.00 96.27 C +HETATM 89 C HYP A 15 1.943 -12.890 8.969 1.00 95.86 C +HETATM 90 O HYP A 15 1.689 -12.252 10.007 1.00 94.76 O +HETATM 91 CB HYP A 15 4.400 -13.058 8.614 1.00 94.93 C +HETATM 92 CG HYP A 15 5.411 -12.041 8.291 1.00 93.61 C +HETATM 93 CD HYP A 15 4.655 -10.752 8.476 1.00 95.21 C +HETATM 94 OD1 HYP A 15 5.819 -12.146 6.941 1.00 93.70 O +ATOM 95 N GLY A 16 1.203 -13.907 8.555 1.00 95.44 N +ATOM 96 CA GLY A 16 0.112 -14.421 9.333 1.00 94.99 C +ATOM 97 C GLY A 16 0.607 -15.078 10.605 1.00 95.24 C +ATOM 98 O GLY A 16 1.809 -15.278 10.794 1.00 95.09 O +ATOM 99 N PRO A 17 -0.319 -15.442 11.492 1.00 94.76 N +ATOM 100 CA PRO A 17 0.077 -16.081 12.740 1.00 94.16 C +ATOM 101 C PRO A 17 0.589 -17.498 12.494 1.00 94.12 C +ATOM 102 O PRO A 17 0.319 -18.103 11.450 1.00 92.88 O +ATOM 103 CB PRO A 17 -1.214 -16.086 13.561 1.00 92.39 C +ATOM 104 CG PRO A 17 -2.278 -16.148 12.515 1.00 91.74 C +ATOM 105 CD PRO A 17 -1.761 -15.286 11.392 1.00 93.77 C +ATOM 106 N PRO A 18 1.337 -18.039 13.452 1.00 96.58 N +ATOM 107 CA PRO A 18 1.844 -19.399 13.288 1.00 95.83 C +ATOM 108 C PRO A 18 0.704 -20.421 13.385 1.00 94.38 C +ATOM 109 O PRO A 18 -0.383 -20.076 13.842 1.00 92.13 O +ATOM 110 CB PRO A 18 2.848 -19.546 14.441 1.00 93.55 C +ATOM 111 CG PRO A 18 2.326 -18.620 15.482 1.00 93.25 C +ATOM 112 CD PRO A 18 1.814 -17.433 14.713 1.00 94.52 C +ATOM 113 OXT PRO A 18 0.888 -21.590 12.990 1.00 88.24 O +TER 114 PRO A 18 +END diff --git a/protein_pdb_53.txt b/protein_pdb_53.txt new file mode 100644 index 0000000000000000000000000000000000000000..805b97394f7d307e8c371570f4672f4f2123b99a --- /dev/null +++ b/protein_pdb_53.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 10.638 3.435 9.684 1.00 79.20 N +ATOM 2 CA GLY A 1 9.245 3.630 10.057 1.00 82.33 C +ATOM 3 C GLY A 1 8.400 2.463 9.621 1.00 83.32 C +ATOM 4 O GLY A 1 8.893 1.528 8.995 1.00 81.67 O +ATOM 5 N PRO A 2 7.143 2.524 9.938 1.00 83.32 N +ATOM 6 CA PRO A 2 6.251 1.430 9.585 1.00 85.18 C +ATOM 7 C PRO A 2 5.974 1.399 8.092 1.00 85.34 C +ATOM 8 O PRO A 2 6.201 2.369 7.381 1.00 85.14 O +ATOM 9 CB PRO A 2 4.984 1.737 10.371 1.00 81.81 C +ATOM 10 CG PRO A 2 4.982 3.221 10.483 1.00 75.74 C +ATOM 11 CD PRO A 2 6.424 3.618 10.607 1.00 76.32 C +HETATM 12 N HYP A 3 5.509 0.300 7.671 1.00 82.86 N +HETATM 13 CA HYP A 3 5.072 0.168 6.300 1.00 85.45 C +HETATM 14 C HYP A 3 4.059 1.209 5.944 1.00 86.08 C +HETATM 15 O HYP A 3 3.261 1.665 6.825 1.00 88.38 O +HETATM 16 CB HYP A 3 4.421 -1.231 6.343 1.00 85.87 C +HETATM 17 CG HYP A 3 5.215 -1.943 7.393 1.00 80.37 C +HETATM 18 CD HYP A 3 5.367 -0.894 8.469 1.00 82.28 C +HETATM 19 OD1 HYP A 3 6.443 -2.312 6.903 1.00 85.16 O +ATOM 20 N GLY A 4 4.123 1.640 4.728 1.00 89.52 N +ATOM 21 CA GLY A 4 3.144 2.574 4.254 1.00 88.49 C +ATOM 22 C GLY A 4 1.768 1.943 4.171 1.00 88.01 C +ATOM 23 O GLY A 4 1.593 0.751 4.433 1.00 88.53 O +ATOM 24 N PRO A 5 0.801 2.751 3.794 1.00 89.72 N +ATOM 25 CA PRO A 5 -0.554 2.241 3.681 1.00 88.58 C +ATOM 26 C PRO A 5 -0.685 1.292 2.506 1.00 88.23 C +ATOM 27 O PRO A 5 0.137 1.279 1.601 1.00 87.28 O +ATOM 28 CB PRO A 5 -1.385 3.504 3.472 1.00 86.57 C +ATOM 29 CG PRO A 5 -0.447 4.447 2.820 1.00 84.24 C +ATOM 30 CD PRO A 5 0.894 4.158 3.409 1.00 85.50 C +HETATM 31 N HYP A 6 -1.722 0.513 2.553 1.00 86.18 N +HETATM 32 CA HYP A 6 -2.021 -0.353 1.445 1.00 88.35 C +HETATM 33 C HYP A 6 -2.180 0.402 0.166 1.00 85.88 C +HETATM 34 O HYP A 6 -2.623 1.590 0.167 1.00 88.78 O +HETATM 35 CB HYP A 6 -3.369 -0.954 1.943 1.00 86.35 C +HETATM 36 CG HYP A 6 -3.287 -0.922 3.440 1.00 84.40 C +HETATM 37 CD HYP A 6 -2.644 0.409 3.672 1.00 86.95 C +HETATM 38 OD1 HYP A 6 -2.484 -1.949 3.911 1.00 86.88 O +ATOM 39 N GLY A 7 -1.701 -0.193 -0.886 1.00 88.11 N +ATOM 40 CA GLY A 7 -1.873 0.384 -2.186 1.00 85.56 C +ATOM 41 C GLY A 7 -3.338 0.460 -2.568 1.00 86.33 C +ATOM 42 O GLY A 7 -4.217 0.007 -1.836 1.00 86.42 O +ATOM 43 N PRO A 8 -3.598 1.035 -3.720 1.00 89.31 N +ATOM 44 CA PRO A 8 -4.971 1.157 -4.160 1.00 88.65 C +ATOM 45 C PRO A 8 -5.559 -0.199 -4.494 1.00 88.91 C +ATOM 46 O PRO A 8 -4.847 -1.141 -4.827 1.00 87.74 O +ATOM 47 CB PRO A 8 -4.871 2.041 -5.398 1.00 86.18 C +ATOM 48 CG PRO A 8 -3.494 1.817 -5.896 1.00 84.90 C +ATOM 49 CD PRO A 8 -2.650 1.573 -4.683 1.00 86.07 C +HETATM 50 N HYP A 9 -6.852 -0.271 -4.431 1.00 84.05 N +HETATM 51 CA HYP A 9 -7.514 -1.467 -4.757 1.00 89.07 C +HETATM 52 C HYP A 9 -7.338 -1.813 -6.222 1.00 85.37 C +HETATM 53 O HYP A 9 -7.248 -0.915 -7.075 1.00 86.63 O +HETATM 54 CB HYP A 9 -9.016 -1.055 -4.529 1.00 84.69 C +HETATM 55 CG HYP A 9 -8.950 0.021 -3.477 1.00 82.34 C +HETATM 56 CD HYP A 9 -7.737 0.787 -3.887 1.00 86.26 C +HETATM 57 OD1 HYP A 9 -8.718 -0.533 -2.202 1.00 84.16 O +ATOM 58 N GLY A 10 -7.143 -3.082 -6.470 1.00 86.11 N +ATOM 59 CA GLY A 10 -7.170 -3.536 -7.827 1.00 83.37 C +ATOM 60 C GLY A 10 -8.566 -3.379 -8.382 1.00 83.97 C +ATOM 61 O GLY A 10 -9.500 -2.985 -7.681 1.00 82.58 O +ATOM 62 N ARG A 11 -8.709 -3.695 -9.624 1.00 89.25 N +ATOM 63 CA ARG A 11 -10.021 -3.612 -10.238 1.00 89.99 C +ATOM 64 C ARG A 11 -10.837 -4.801 -9.780 1.00 89.18 C +ATOM 65 O ARG A 11 -10.567 -5.933 -10.167 1.00 87.71 O +ATOM 66 CB ARG A 11 -9.892 -3.590 -11.755 1.00 86.73 C +ATOM 67 CG ARG A 11 -11.198 -3.243 -12.434 1.00 80.51 C +ATOM 68 CD ARG A 11 -11.022 -3.090 -13.928 1.00 78.47 C +ATOM 69 NE ARG A 11 -10.813 -4.370 -14.579 1.00 75.99 N +ATOM 70 CZ ARG A 11 -10.354 -4.508 -15.814 1.00 72.04 C +ATOM 71 NH1 ARG A 11 -10.034 -3.441 -16.535 1.00 69.60 N +ATOM 72 NH2 ARG A 11 -10.204 -5.704 -16.331 1.00 68.36 N +HETATM 73 N HYP A 12 -11.828 -4.628 -8.911 1.00 83.56 N +HETATM 74 CA HYP A 12 -12.222 -5.568 -8.008 1.00 86.23 C +HETATM 75 C HYP A 12 -11.326 -6.359 -7.212 1.00 88.14 C +HETATM 76 O HYP A 12 -11.661 -7.325 -6.485 1.00 87.36 O +HETATM 77 CB HYP A 12 -13.695 -5.618 -7.873 1.00 82.36 C +HETATM 78 CG HYP A 12 -14.134 -4.368 -8.648 1.00 79.12 C +HETATM 79 CD HYP A 12 -12.931 -3.978 -9.443 1.00 83.30 C +HETATM 80 OD1 HYP A 12 -14.456 -3.307 -7.789 1.00 82.78 O +ATOM 81 N GLY A 13 -10.039 -5.958 -7.267 1.00 89.31 N +ATOM 82 CA GLY A 13 -8.991 -6.629 -6.548 1.00 88.39 C +ATOM 83 C GLY A 13 -8.793 -6.077 -5.150 1.00 88.63 C +ATOM 84 O GLY A 13 -9.402 -5.078 -4.768 1.00 88.51 O +ATOM 85 N PRO A 14 -7.941 -6.728 -4.395 1.00 88.24 N +ATOM 86 CA PRO A 14 -7.683 -6.322 -3.033 1.00 88.38 C +ATOM 87 C PRO A 14 -6.793 -5.090 -2.983 1.00 88.20 C +ATOM 88 O PRO A 14 -6.175 -4.707 -3.966 1.00 86.54 O +ATOM 89 CB PRO A 14 -6.968 -7.530 -2.442 1.00 85.84 C +ATOM 90 CG PRO A 14 -6.234 -8.106 -3.596 1.00 84.18 C +ATOM 91 CD PRO A 14 -7.133 -7.899 -4.779 1.00 84.07 C +HETATM 92 N HYP A 15 -6.734 -4.524 -1.795 1.00 86.48 N +HETATM 93 CA HYP A 15 -5.788 -3.452 -1.595 1.00 89.57 C +HETATM 94 C HYP A 15 -4.389 -3.918 -1.920 1.00 88.88 C +HETATM 95 O HYP A 15 -4.080 -5.092 -1.721 1.00 87.18 O +HETATM 96 CB HYP A 15 -5.980 -3.222 -0.060 1.00 86.88 C +HETATM 97 CG HYP A 15 -7.427 -3.600 0.174 1.00 84.82 C +HETATM 98 CD HYP A 15 -7.573 -4.842 -0.683 1.00 86.71 C +HETATM 99 OD1 HYP A 15 -8.292 -2.604 -0.269 1.00 86.91 O +ATOM 100 N GLY A 16 -3.624 -3.004 -2.441 1.00 89.71 N +ATOM 101 CA GLY A 16 -2.264 -3.316 -2.739 1.00 88.47 C +ATOM 102 C GLY A 16 -1.467 -3.608 -1.482 1.00 89.00 C +ATOM 103 O GLY A 16 -1.955 -3.461 -0.361 1.00 89.62 O +ATOM 104 N PRO A 17 -0.229 -4.024 -1.681 1.00 89.01 N +ATOM 105 CA PRO A 17 0.623 -4.329 -0.546 1.00 88.68 C +ATOM 106 C PRO A 17 0.989 -3.068 0.216 1.00 89.11 C +ATOM 107 O PRO A 17 0.900 -1.961 -0.306 1.00 87.63 O +ATOM 108 CB PRO A 17 1.848 -4.974 -1.180 1.00 86.31 C +ATOM 109 CG PRO A 17 1.889 -4.408 -2.549 1.00 85.47 C +ATOM 110 CD PRO A 17 0.464 -4.202 -2.952 1.00 86.65 C +HETATM 111 N HYP A 18 1.385 -3.233 1.431 1.00 89.67 N +HETATM 112 CA HYP A 18 1.863 -2.150 2.211 1.00 91.25 C +HETATM 113 C HYP A 18 2.991 -1.426 1.531 1.00 90.78 C +HETATM 114 O HYP A 18 3.791 -2.044 0.792 1.00 90.39 O +HETATM 115 CB HYP A 18 2.332 -2.863 3.470 1.00 88.78 C +HETATM 116 CG HYP A 18 1.466 -4.081 3.532 1.00 88.07 C +HETATM 117 CD HYP A 18 1.388 -4.500 2.101 1.00 89.96 C +HETATM 118 OD1 HYP A 18 0.162 -3.770 3.986 1.00 89.00 O +ATOM 119 N GLY A 19 3.014 -0.146 1.708 1.00 90.52 N +ATOM 120 CA GLY A 19 4.084 0.640 1.180 1.00 89.95 C +ATOM 121 C GLY A 19 5.400 0.301 1.860 1.00 90.12 C +ATOM 122 O GLY A 19 5.461 -0.481 2.803 1.00 90.46 O +ATOM 123 N PRO A 20 6.458 0.906 1.369 1.00 86.60 N +ATOM 124 CA PRO A 20 7.764 0.655 1.949 1.00 85.19 C +ATOM 125 C PRO A 20 7.873 1.257 3.332 1.00 85.02 C +ATOM 126 O PRO A 20 7.107 2.140 3.709 1.00 85.55 O +ATOM 127 CB PRO A 20 8.717 1.321 0.966 1.00 83.00 C +ATOM 128 CG PRO A 20 7.903 2.382 0.321 1.00 80.99 C +ATOM 129 CD PRO A 20 6.506 1.861 0.266 1.00 82.27 C +HETATM 130 N HYP A 21 8.818 0.788 4.102 1.00 85.35 N +HETATM 131 CA HYP A 21 9.094 1.324 5.369 1.00 88.88 C +HETATM 132 C HYP A 21 9.381 2.820 5.320 1.00 87.69 C +HETATM 133 O HYP A 21 9.905 3.297 4.300 1.00 88.78 O +HETATM 134 CB HYP A 21 10.304 0.555 5.810 1.00 85.19 C +HETATM 135 CG HYP A 21 10.108 -0.774 5.141 1.00 85.32 C +HETATM 136 CD HYP A 21 9.600 -0.383 3.782 1.00 87.84 C +HETATM 137 OD1 HYP A 21 9.113 -1.539 5.787 1.00 87.53 O +ATOM 138 N GLY A 22 8.939 3.528 6.294 1.00 86.42 N +ATOM 139 CA GLY A 22 9.205 4.934 6.376 1.00 84.35 C +ATOM 140 C GLY A 22 10.690 5.219 6.517 1.00 83.80 C +ATOM 141 O GLY A 22 11.517 4.310 6.566 1.00 84.03 O +ATOM 142 N PRO A 23 11.016 6.492 6.602 1.00 83.24 N +ATOM 143 CA PRO A 23 12.411 6.876 6.710 1.00 83.25 C +ATOM 144 C PRO A 23 12.990 6.481 8.056 1.00 82.34 C +ATOM 145 O PRO A 23 12.267 6.249 9.015 1.00 80.03 O +ATOM 146 CB PRO A 23 12.373 8.386 6.534 1.00 78.59 C +ATOM 147 CG PRO A 23 11.016 8.774 6.992 1.00 75.93 C +ATOM 148 CD PRO A 23 10.121 7.630 6.627 1.00 77.97 C +HETATM 149 N HYP A 24 14.266 6.459 8.183 1.00 87.05 N +HETATM 150 CA HYP A 24 14.855 6.103 9.403 1.00 82.94 C +HETATM 151 C HYP A 24 14.311 6.837 10.595 1.00 82.98 C +HETATM 152 O HYP A 24 13.967 8.027 10.396 1.00 82.14 O +HETATM 153 CB HYP A 24 16.358 6.412 9.204 1.00 81.89 C +HETATM 154 CG HYP A 24 16.544 6.528 7.738 1.00 81.10 C +HETATM 155 CD HYP A 24 15.197 6.969 7.208 1.00 85.32 C +HETATM 156 OD1 HYP A 24 16.815 5.256 7.172 1.00 84.27 O +HETATM 157 OXT HYP A 24 14.301 6.236 11.703 1.00 81.95 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_530.txt b/protein_pdb_530.txt new file mode 100644 index 0000000000000000000000000000000000000000..af09b94efb54c9dd7f1945050d649ba66e9a3038 --- /dev/null +++ b/protein_pdb_530.txt @@ -0,0 +1,116 @@ +ATOM 1 N GLY A 1 -5.242 15.837 -20.753 1.00 85.52 N +ATOM 2 CA GLY A 1 -4.700 14.530 -21.131 1.00 86.93 C +ATOM 3 C GLY A 1 -5.170 13.444 -20.187 1.00 87.42 C +ATOM 4 O GLY A 1 -5.826 13.729 -19.177 1.00 86.99 O +ATOM 5 N PRO A 2 -4.871 12.209 -20.501 1.00 86.33 N +ATOM 6 CA PRO A 2 -5.294 11.095 -19.655 1.00 90.38 C +ATOM 7 C PRO A 2 -4.548 11.078 -18.331 1.00 89.92 C +ATOM 8 O PRO A 2 -3.465 11.627 -18.200 1.00 88.52 O +ATOM 9 CB PRO A 2 -4.957 9.865 -20.498 1.00 89.12 C +ATOM 10 CG PRO A 2 -3.811 10.305 -21.329 1.00 85.56 C +ATOM 11 CD PRO A 2 -4.096 11.749 -21.651 1.00 87.08 C +HETATM 12 N HYP A 3 -5.155 10.469 -17.379 1.00 88.29 N +HETATM 13 CA HYP A 3 -4.505 10.259 -16.080 1.00 90.75 C +HETATM 14 C HYP A 3 -3.203 9.474 -16.234 1.00 87.38 C +HETATM 15 O HYP A 3 -3.103 8.588 -17.112 1.00 92.12 O +HETATM 16 CB HYP A 3 -5.567 9.412 -15.321 1.00 87.81 C +HETATM 17 CG HYP A 3 -6.878 9.720 -16.017 1.00 85.54 C +HETATM 18 CD HYP A 3 -6.502 9.895 -17.490 1.00 89.74 C +HETATM 19 OD1 HYP A 3 -7.417 10.924 -15.528 1.00 90.03 O +ATOM 20 N GLY A 4 -2.253 9.808 -15.353 1.00 94.00 N +ATOM 21 CA GLY A 4 -1.006 9.083 -15.352 1.00 92.19 C +ATOM 22 C GLY A 4 -1.209 7.661 -14.850 1.00 92.33 C +ATOM 23 O GLY A 4 -2.309 7.284 -14.423 1.00 93.15 O +ATOM 24 N PRO A 5 -0.158 6.867 -14.905 1.00 94.74 N +ATOM 25 CA PRO A 5 -0.259 5.476 -14.459 1.00 94.59 C +ATOM 26 C PRO A 5 -0.410 5.391 -12.945 1.00 94.14 C +ATOM 27 O PRO A 5 -0.050 6.307 -12.215 1.00 92.74 O +ATOM 28 CB PRO A 5 1.052 4.863 -14.929 1.00 93.06 C +ATOM 29 CG PRO A 5 1.998 6.006 -14.919 1.00 91.39 C +ATOM 30 CD PRO A 5 1.180 7.191 -15.372 1.00 93.00 C +HETATM 31 N HYP A 6 -0.941 4.287 -12.480 1.00 95.57 N +HETATM 32 CA HYP A 6 -1.007 4.030 -11.049 1.00 95.58 C +HETATM 33 C HYP A 6 0.363 3.971 -10.382 1.00 94.87 C +HETATM 34 O HYP A 6 1.337 3.539 -11.029 1.00 94.78 O +HETATM 35 CB HYP A 6 -1.671 2.578 -10.990 1.00 93.70 C +HETATM 36 CG HYP A 6 -2.442 2.518 -12.277 1.00 91.86 C +HETATM 37 CD HYP A 6 -1.566 3.255 -13.277 1.00 94.15 C +HETATM 38 OD1 HYP A 6 -3.671 3.184 -12.138 1.00 91.35 O +ATOM 39 N GLY A 7 0.395 4.441 -9.154 1.00 96.03 N +ATOM 40 CA GLY A 7 1.631 4.384 -8.396 1.00 95.57 C +ATOM 41 C GLY A 7 1.997 2.948 -8.074 1.00 95.94 C +ATOM 42 O GLY A 7 1.258 2.011 -8.383 1.00 95.63 O +ATOM 43 N PRO A 8 3.151 2.772 -7.450 1.00 95.94 N +ATOM 44 CA PRO A 8 3.604 1.430 -7.102 1.00 95.96 C +ATOM 45 C PRO A 8 2.764 0.820 -5.987 1.00 95.84 C +ATOM 46 O PRO A 8 2.113 1.528 -5.224 1.00 94.49 O +ATOM 47 CB PRO A 8 5.053 1.647 -6.664 1.00 94.62 C +ATOM 48 CG PRO A 8 5.045 3.036 -6.148 1.00 93.64 C +ATOM 49 CD PRO A 8 4.099 3.793 -7.040 1.00 95.36 C +HETATM 50 N HYP A 9 2.777 -0.502 -5.878 1.00 95.56 N +HETATM 51 CA HYP A 9 2.130 -1.187 -4.770 1.00 95.39 C +HETATM 52 C HYP A 9 2.684 -0.791 -3.426 1.00 95.18 C +HETATM 53 O HYP A 9 3.869 -0.465 -3.303 1.00 93.86 O +HETATM 54 CB HYP A 9 2.511 -2.688 -5.077 1.00 93.75 C +HETATM 55 CG HYP A 9 2.676 -2.695 -6.555 1.00 93.42 C +HETATM 56 CD HYP A 9 3.309 -1.389 -6.855 1.00 94.01 C +HETATM 57 OD1 HYP A 9 1.419 -2.750 -7.214 1.00 92.28 O +ATOM 58 N GLY A 10 1.795 -0.757 -2.437 1.00 95.74 N +ATOM 59 CA GLY A 10 2.215 -0.466 -1.092 1.00 95.59 C +ATOM 60 C GLY A 10 3.084 -1.586 -0.540 1.00 95.81 C +ATOM 61 O GLY A 10 3.247 -2.636 -1.170 1.00 95.31 O +ATOM 62 N PRO A 11 3.631 -1.370 0.647 1.00 95.84 N +ATOM 63 CA PRO A 11 4.494 -2.383 1.249 1.00 95.69 C +ATOM 64 C PRO A 11 3.701 -3.601 1.711 1.00 95.53 C +ATOM 65 O PRO A 11 2.500 -3.519 1.957 1.00 94.45 O +ATOM 66 CB PRO A 11 5.128 -1.643 2.421 1.00 94.36 C +ATOM 67 CG PRO A 11 4.110 -0.621 2.781 1.00 93.55 C +ATOM 68 CD PRO A 11 3.514 -0.183 1.473 1.00 95.13 C +HETATM 69 N HYP A 12 4.381 -4.743 1.838 1.00 94.69 N +HETATM 70 CA HYP A 12 3.773 -5.924 2.399 1.00 96.05 C +HETATM 71 C HYP A 12 3.287 -5.722 3.821 1.00 93.37 C +HETATM 72 O HYP A 12 3.882 -4.954 4.594 1.00 94.53 O +HETATM 73 CB HYP A 12 4.964 -6.922 2.395 1.00 93.72 C +HETATM 74 CG HYP A 12 5.861 -6.448 1.324 1.00 93.84 C +HETATM 75 CD HYP A 12 5.735 -4.981 1.416 1.00 94.38 C +HETATM 76 OD1 HYP A 12 5.406 -6.869 0.049 1.00 92.80 O +ATOM 77 N GLY A 13 2.195 -6.364 4.165 1.00 95.43 N +ATOM 78 CA GLY A 13 1.691 -6.328 5.510 1.00 95.58 C +ATOM 79 C GLY A 13 2.613 -7.083 6.450 1.00 96.11 C +ATOM 80 O GLY A 13 3.541 -7.774 6.012 1.00 96.27 O +ATOM 81 N PRO A 14 2.372 -6.974 7.748 1.00 95.53 N +ATOM 82 CA PRO A 14 3.213 -7.667 8.715 1.00 95.49 C +ATOM 83 C PRO A 14 2.963 -9.168 8.689 1.00 95.43 C +ATOM 84 O PRO A 14 1.902 -9.627 8.274 1.00 94.86 O +ATOM 85 CB PRO A 14 2.802 -7.050 10.045 1.00 93.97 C +ATOM 86 CG PRO A 14 1.383 -6.643 9.821 1.00 92.84 C +ATOM 87 CD PRO A 14 1.334 -6.183 8.387 1.00 94.72 C +HETATM 88 N HYP A 15 3.953 -9.968 9.167 1.00 95.95 N +HETATM 89 CA HYP A 15 3.754 -11.376 9.301 1.00 95.97 C +HETATM 90 C HYP A 15 2.647 -11.714 10.270 1.00 95.87 C +HETATM 91 O HYP A 15 2.416 -10.961 11.242 1.00 94.62 O +HETATM 92 CB HYP A 15 5.083 -11.890 9.863 1.00 94.88 C +HETATM 93 CG HYP A 15 6.072 -10.900 9.396 1.00 93.92 C +HETATM 94 CD HYP A 15 5.309 -9.596 9.453 1.00 95.20 C +HETATM 95 OD1 HYP A 15 6.462 -11.155 8.056 1.00 93.60 O +ATOM 96 N GLY A 16 1.912 -12.774 10.001 1.00 95.13 N +ATOM 97 CA GLY A 16 0.868 -13.219 10.882 1.00 94.29 C +ATOM 98 C GLY A 16 1.447 -13.720 12.194 1.00 94.43 C +ATOM 99 O GLY A 16 2.660 -13.869 12.347 1.00 94.30 O +ATOM 100 N PRO A 17 0.569 -14.014 13.157 1.00 93.07 N +ATOM 101 CA PRO A 17 1.048 -14.502 14.444 1.00 92.66 C +ATOM 102 C PRO A 17 1.578 -15.929 14.327 1.00 92.63 C +ATOM 103 O PRO A 17 1.275 -16.647 13.372 1.00 91.02 O +ATOM 104 CB PRO A 17 -0.196 -14.442 15.330 1.00 90.41 C +ATOM 105 CG PRO A 17 -1.318 -14.638 14.361 1.00 89.37 C +ATOM 106 CD PRO A 17 -0.881 -13.910 13.112 1.00 91.24 C +ATOM 107 N PRO A 18 2.376 -16.344 15.307 1.00 96.25 N +ATOM 108 CA PRO A 18 2.903 -17.708 15.273 1.00 95.42 C +ATOM 109 C PRO A 18 1.787 -18.728 15.534 1.00 93.67 C +ATOM 110 O PRO A 18 0.716 -18.348 16.006 1.00 91.20 O +ATOM 111 CB PRO A 18 3.964 -17.720 16.381 1.00 93.17 C +ATOM 112 CG PRO A 18 3.484 -16.685 17.334 1.00 93.17 C +ATOM 113 CD PRO A 18 2.902 -15.598 16.469 1.00 94.21 C +ATOM 114 OXT PRO A 18 1.970 -19.929 15.259 1.00 88.41 O +TER 115 PRO A 18 +END diff --git a/protein_pdb_531.txt b/protein_pdb_531.txt new file mode 100644 index 0000000000000000000000000000000000000000..84ba2af11108c85fbe3b9924c651d58e6989357e --- /dev/null +++ b/protein_pdb_531.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -9.952 13.422 -0.204 1.00 67.30 N +ATOM 2 CA GLY A 1 -10.520 12.242 -0.837 1.00 70.72 C +ATOM 3 C GLY A 1 -10.359 11.022 0.038 1.00 72.71 C +ATOM 4 O GLY A 1 -9.850 11.112 1.151 1.00 69.35 O +ATOM 5 N PRO A 2 -10.765 9.873 -0.457 1.00 74.60 N +ATOM 6 CA PRO A 2 -10.688 8.657 0.337 1.00 77.28 C +ATOM 7 C PRO A 2 -9.259 8.182 0.513 1.00 77.14 C +ATOM 8 O PRO A 2 -8.366 8.559 -0.231 1.00 73.67 O +ATOM 9 CB PRO A 2 -11.506 7.651 -0.479 1.00 72.78 C +ATOM 10 CG PRO A 2 -11.432 8.153 -1.865 1.00 66.76 C +ATOM 11 CD PRO A 2 -11.333 9.650 -1.781 1.00 66.22 C +HETATM 12 N HYP A 3 -9.077 7.413 1.504 1.00 76.98 N +HETATM 13 CA HYP A 3 -7.778 6.749 1.716 1.00 73.28 C +HETATM 14 C HYP A 3 -7.355 5.917 0.562 1.00 80.87 C +HETATM 15 O HYP A 3 -8.232 5.346 -0.174 1.00 80.54 O +HETATM 16 CB HYP A 3 -8.090 5.854 2.950 1.00 75.92 C +HETATM 17 CG HYP A 3 -9.222 6.552 3.666 1.00 71.06 C +HETATM 18 CD HYP A 3 -10.073 7.095 2.517 1.00 76.39 C +HETATM 19 OD1 HYP A 3 -8.715 7.623 4.423 1.00 76.92 O +ATOM 20 N GLY A 4 -6.089 5.864 0.302 1.00 81.32 N +ATOM 21 CA GLY A 4 -5.571 5.037 -0.754 1.00 79.38 C +ATOM 22 C GLY A 4 -5.735 3.561 -0.434 1.00 79.10 C +ATOM 23 O GLY A 4 -6.107 3.184 0.673 1.00 76.78 O +ATOM 24 N PRO A 5 -5.466 2.721 -1.415 1.00 82.51 N +ATOM 25 CA PRO A 5 -5.573 1.289 -1.186 1.00 81.48 C +ATOM 26 C PRO A 5 -4.471 0.791 -0.268 1.00 81.33 C +ATOM 27 O PRO A 5 -3.462 1.456 -0.069 1.00 78.33 O +ATOM 28 CB PRO A 5 -5.451 0.694 -2.589 1.00 77.66 C +ATOM 29 CG PRO A 5 -4.680 1.708 -3.349 1.00 76.18 C +ATOM 30 CD PRO A 5 -5.019 3.045 -2.767 1.00 76.87 C +HETATM 31 N HYP A 6 -4.686 -0.374 0.267 1.00 81.35 N +HETATM 32 CA HYP A 6 -3.656 -1.014 1.076 1.00 81.89 C +HETATM 33 C HYP A 6 -2.391 -1.215 0.333 1.00 83.69 C +HETATM 34 O HYP A 6 -2.411 -1.462 -0.910 1.00 81.35 O +HETATM 35 CB HYP A 6 -4.358 -2.345 1.435 1.00 78.85 C +HETATM 36 CG HYP A 6 -5.849 -2.042 1.361 1.00 76.85 C +HETATM 37 CD HYP A 6 -5.943 -1.092 0.181 1.00 81.63 C +HETATM 38 OD1 HYP A 6 -6.283 -1.389 2.533 1.00 77.60 O +ATOM 39 N GLY A 7 -1.274 -1.031 0.989 1.00 81.21 N +ATOM 40 CA GLY A 7 0.009 -1.235 0.370 1.00 79.39 C +ATOM 41 C GLY A 7 0.245 -2.696 0.038 1.00 80.42 C +ATOM 42 O GLY A 7 -0.548 -3.570 0.374 1.00 78.14 O +ATOM 43 N PRO A 8 1.352 -2.948 -0.636 1.00 78.62 N +ATOM 44 CA PRO A 8 1.659 -4.325 -0.995 1.00 78.36 C +ATOM 45 C PRO A 8 2.018 -5.153 0.228 1.00 78.04 C +ATOM 46 O PRO A 8 2.426 -4.635 1.257 1.00 73.25 O +ATOM 47 CB PRO A 8 2.839 -4.203 -1.955 1.00 74.10 C +ATOM 48 CG PRO A 8 3.389 -2.853 -1.751 1.00 74.47 C +ATOM 49 CD PRO A 8 2.351 -1.999 -1.117 1.00 75.70 C +HETATM 50 N HYP A 9 1.872 -6.473 0.085 1.00 73.87 N +HETATM 51 CA HYP A 9 2.241 -7.353 1.133 1.00 74.18 C +HETATM 52 C HYP A 9 3.699 -7.308 1.436 1.00 74.67 C +HETATM 53 O HYP A 9 4.512 -7.039 0.549 1.00 75.58 O +HETATM 54 CB HYP A 9 1.945 -8.755 0.448 1.00 72.19 C +HETATM 55 CG HYP A 9 0.846 -8.491 -0.511 1.00 72.14 C +HETATM 56 CD HYP A 9 1.179 -7.124 -1.037 1.00 75.73 C +HETATM 57 OD1 HYP A 9 -0.392 -8.464 0.174 1.00 69.31 O +ATOM 58 N GLY A 10 4.082 -7.495 2.675 1.00 73.31 N +ATOM 59 CA GLY A 10 5.469 -7.687 3.030 1.00 69.38 C +ATOM 60 C GLY A 10 5.951 -9.032 2.514 1.00 69.81 C +ATOM 61 O GLY A 10 5.344 -9.636 1.638 1.00 66.16 O +ATOM 62 N TYR A 11 7.048 -9.493 3.070 1.00 71.51 N +ATOM 63 CA TYR A 11 7.600 -10.751 2.575 1.00 74.15 C +ATOM 64 C TYR A 11 6.592 -11.886 2.671 1.00 72.34 C +ATOM 65 O TYR A 11 6.445 -12.663 1.722 1.00 69.18 O +ATOM 66 CB TYR A 11 8.896 -11.071 3.326 1.00 71.62 C +ATOM 67 CG TYR A 11 9.950 -10.023 3.104 1.00 69.01 C +ATOM 68 CD1 TYR A 11 10.485 -9.810 1.839 1.00 66.16 C +ATOM 69 CD2 TYR A 11 10.405 -9.222 4.146 1.00 64.85 C +ATOM 70 CE1 TYR A 11 11.451 -8.830 1.622 1.00 63.48 C +ATOM 71 CE2 TYR A 11 11.360 -8.242 3.937 1.00 64.89 C +ATOM 72 CZ TYR A 11 11.883 -8.055 2.677 1.00 62.53 C +ATOM 73 OH TYR A 11 12.836 -7.080 2.461 1.00 61.10 O +ATOM 74 N ASP A 12 5.889 -11.982 3.773 1.00 65.95 N +ATOM 75 CA ASP A 12 4.744 -12.886 3.920 1.00 67.65 C +ATOM 76 C ASP A 12 3.602 -12.183 4.635 1.00 68.07 C +ATOM 77 O ASP A 12 2.697 -12.831 5.142 1.00 63.46 O +ATOM 78 CB ASP A 12 5.143 -14.152 4.687 1.00 63.57 C +ATOM 79 CG ASP A 12 5.814 -15.176 3.805 1.00 58.88 C +ATOM 80 OD1 ASP A 12 5.209 -15.565 2.784 1.00 57.94 O +ATOM 81 OD2 ASP A 12 6.939 -15.599 4.137 1.00 54.23 O +ATOM 82 N GLY A 13 3.671 -10.886 4.700 1.00 71.89 N +ATOM 83 CA GLY A 13 2.771 -10.128 5.535 1.00 69.34 C +ATOM 84 C GLY A 13 1.522 -9.686 4.817 1.00 71.53 C +ATOM 85 O GLY A 13 1.375 -9.852 3.605 1.00 70.40 O +ATOM 86 N PRO A 14 0.615 -9.138 5.579 1.00 77.52 N +ATOM 87 CA PRO A 14 -0.615 -8.603 5.004 1.00 77.77 C +ATOM 88 C PRO A 14 -0.333 -7.331 4.222 1.00 78.11 C +ATOM 89 O PRO A 14 0.755 -6.762 4.283 1.00 73.24 O +ATOM 90 CB PRO A 14 -1.475 -8.322 6.230 1.00 73.29 C +ATOM 91 CG PRO A 14 -0.492 -7.997 7.299 1.00 71.53 C +ATOM 92 CD PRO A 14 0.703 -8.867 7.020 1.00 71.77 C +HETATM 93 N HYP A 15 -1.338 -6.936 3.496 1.00 76.29 N +HETATM 94 CA HYP A 15 -1.264 -5.651 2.841 1.00 80.97 C +HETATM 95 C HYP A 15 -0.956 -4.554 3.792 1.00 79.28 C +HETATM 96 O HYP A 15 -1.341 -4.643 4.982 1.00 79.03 O +HETATM 97 CB HYP A 15 -2.700 -5.549 2.257 1.00 75.19 C +HETATM 98 CG HYP A 15 -3.127 -6.978 2.034 1.00 74.28 C +HETATM 99 CD HYP A 15 -2.556 -7.684 3.243 1.00 78.92 C +HETATM 100 OD1 HYP A 15 -2.566 -7.476 0.869 1.00 76.32 O +ATOM 101 N GLY A 16 -0.238 -3.576 3.337 1.00 82.90 N +ATOM 102 CA GLY A 16 0.057 -2.449 4.173 1.00 81.65 C +ATOM 103 C GLY A 16 -1.182 -1.629 4.473 1.00 83.41 C +ATOM 104 O GLY A 16 -2.270 -1.905 3.960 1.00 82.43 O +ATOM 105 N PRO A 17 -0.995 -0.617 5.317 1.00 82.94 N +ATOM 106 CA PRO A 17 -2.125 0.239 5.660 1.00 82.49 C +ATOM 107 C PRO A 17 -2.607 1.034 4.456 1.00 83.83 C +ATOM 108 O PRO A 17 -1.898 1.186 3.466 1.00 81.16 O +ATOM 109 CB PRO A 17 -1.574 1.179 6.733 1.00 78.94 C +ATOM 110 CG PRO A 17 -0.156 0.850 6.898 1.00 78.62 C +ATOM 111 CD PRO A 17 0.253 -0.220 5.943 1.00 79.50 C +HETATM 112 N HYP A 18 -3.803 1.529 4.531 1.00 82.07 N +HETATM 113 CA HYP A 18 -4.326 2.407 3.535 1.00 84.88 C +HETATM 114 C HYP A 18 -3.459 3.588 3.297 1.00 84.26 C +HETATM 115 O HYP A 18 -2.817 4.097 4.265 1.00 83.89 O +HETATM 116 CB HYP A 18 -5.685 2.772 4.096 1.00 79.86 C +HETATM 117 CG HYP A 18 -6.083 1.602 4.977 1.00 77.47 C +HETATM 118 CD HYP A 18 -4.772 1.213 5.585 1.00 82.23 C +HETATM 119 OD1 HYP A 18 -6.569 0.542 4.194 1.00 79.65 O +ATOM 120 N GLY A 19 -3.354 4.002 2.090 1.00 82.32 N +ATOM 121 CA GLY A 19 -2.604 5.181 1.771 1.00 80.85 C +ATOM 122 C GLY A 19 -3.225 6.413 2.385 1.00 82.31 C +ATOM 123 O GLY A 19 -4.309 6.366 2.971 1.00 81.70 O +ATOM 124 N PRO A 20 -2.527 7.528 2.260 1.00 80.40 N +ATOM 125 CA PRO A 20 -3.049 8.756 2.829 1.00 80.66 C +ATOM 126 C PRO A 20 -4.289 9.223 2.094 1.00 81.52 C +ATOM 127 O PRO A 20 -4.522 8.862 0.946 1.00 78.48 O +ATOM 128 CB PRO A 20 -1.892 9.742 2.659 1.00 76.50 C +ATOM 129 CG PRO A 20 -1.110 9.198 1.527 1.00 74.79 C +ATOM 130 CD PRO A 20 -1.263 7.711 1.567 1.00 75.90 C +HETATM 131 N HYP A 21 -5.065 10.005 2.742 1.00 81.36 N +HETATM 132 CA HYP A 21 -6.214 10.601 2.147 1.00 82.49 C +HETATM 133 C HYP A 21 -5.893 11.479 0.965 1.00 81.97 C +HETATM 134 O HYP A 21 -4.822 12.124 0.984 1.00 84.04 O +HETATM 135 CB HYP A 21 -6.816 11.426 3.270 1.00 81.81 C +HETATM 136 CG HYP A 21 -6.350 10.749 4.547 1.00 78.52 C +HETATM 137 CD HYP A 21 -4.975 10.296 4.182 1.00 82.94 C +HETATM 138 OD1 HYP A 21 -7.145 9.591 4.803 1.00 81.95 O +ATOM 139 N GLY A 22 -6.648 11.415 -0.045 1.00 80.54 N +ATOM 140 CA GLY A 22 -6.471 12.312 -1.151 1.00 78.87 C +ATOM 141 C GLY A 22 -6.806 13.737 -0.747 1.00 79.32 C +ATOM 142 O GLY A 22 -7.211 14.000 0.378 1.00 77.74 O +ATOM 143 N PRO A 23 -6.643 14.674 -1.664 1.00 76.90 N +ATOM 144 CA PRO A 23 -6.989 16.055 -1.359 1.00 78.79 C +ATOM 145 C PRO A 23 -8.470 16.192 -1.074 1.00 77.72 C +ATOM 146 O PRO A 23 -9.275 15.375 -1.507 1.00 72.99 O +ATOM 147 CB PRO A 23 -6.609 16.824 -2.632 1.00 72.66 C +ATOM 148 CG PRO A 23 -5.799 15.885 -3.433 1.00 67.27 C +ATOM 149 CD PRO A 23 -6.159 14.501 -3.024 1.00 69.29 C +HETATM 150 N HYP A 24 -8.866 17.227 -0.382 1.00 82.29 N +HETATM 151 CA HYP A 24 -10.289 17.358 -0.184 1.00 80.52 C +HETATM 152 C HYP A 24 -11.036 17.208 -1.417 1.00 78.68 C +HETATM 153 O HYP A 24 -10.762 18.007 -2.339 1.00 79.94 O +HETATM 154 CB HYP A 24 -10.446 18.661 0.585 1.00 81.36 C +HETATM 155 CG HYP A 24 -9.094 18.939 1.213 1.00 78.83 C +HETATM 156 CD HYP A 24 -8.082 18.294 0.239 1.00 82.76 C +HETATM 157 OD1 HYP A 24 -8.996 18.259 2.468 1.00 79.22 O +HETATM 158 OXT HYP A 24 -11.800 16.214 -1.465 1.00 71.97 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_532.txt b/protein_pdb_532.txt new file mode 100644 index 0000000000000000000000000000000000000000..db1b22636c54795365e3071ec6e73b1e5b1c39fc --- /dev/null +++ b/protein_pdb_532.txt @@ -0,0 +1,201 @@ +ATOM 1 N GLY A 1 -23.850 -13.835 -37.701 1.00 82.44 N +ATOM 2 CA GLY A 1 -23.232 -14.579 -36.595 1.00 83.90 C +ATOM 3 C GLY A 1 -23.932 -14.299 -35.283 1.00 83.13 C +ATOM 4 O GLY A 1 -24.758 -13.387 -35.206 1.00 78.67 O +ATOM 5 N GLY A 2 -23.608 -15.087 -34.267 1.00 90.62 N +ATOM 6 CA GLY A 2 -24.212 -14.892 -32.959 1.00 92.72 C +ATOM 7 C GLY A 2 -23.550 -13.751 -32.198 1.00 92.80 C +ATOM 8 O GLY A 2 -22.531 -13.210 -32.630 1.00 89.44 O +ATOM 9 N LYS A 3 -24.122 -13.395 -31.058 1.00 88.86 N +ATOM 10 CA LYS A 3 -23.554 -12.325 -30.233 1.00 91.72 C +ATOM 11 C LYS A 3 -22.221 -12.776 -29.629 1.00 89.93 C +ATOM 12 O LYS A 3 -22.027 -13.955 -29.340 1.00 85.80 O +ATOM 13 CB LYS A 3 -24.510 -11.935 -29.103 1.00 86.58 C +ATOM 14 CG LYS A 3 -25.796 -11.279 -29.579 1.00 77.41 C +ATOM 15 CD LYS A 3 -26.677 -10.868 -28.407 1.00 75.78 C +ATOM 16 CE LYS A 3 -27.951 -10.179 -28.874 1.00 69.72 C +ATOM 17 NZ LYS A 3 -28.809 -9.772 -27.738 1.00 65.10 N +ATOM 18 N GLY A 4 -21.327 -11.850 -29.456 1.00 91.08 N +ATOM 19 CA GLY A 4 -20.041 -12.162 -28.845 1.00 90.75 C +ATOM 20 C GLY A 4 -20.202 -12.443 -27.361 1.00 89.83 C +ATOM 21 O GLY A 4 -21.227 -12.116 -26.763 1.00 90.41 O +ATOM 22 N ASP A 5 -19.179 -13.065 -26.762 1.00 78.93 N +ATOM 23 CA ASP A 5 -19.206 -13.375 -25.339 1.00 82.62 C +ATOM 24 C ASP A 5 -19.098 -12.093 -24.516 1.00 80.40 C +ATOM 25 O ASP A 5 -18.563 -11.081 -24.975 1.00 76.83 O +ATOM 26 CB ASP A 5 -18.055 -14.314 -24.965 1.00 76.23 C +ATOM 27 CG ASP A 5 -18.159 -15.674 -25.617 1.00 73.45 C +ATOM 28 OD1 ASP A 5 -19.291 -16.171 -25.798 1.00 70.17 O +ATOM 29 OD2 ASP A 5 -17.102 -16.253 -25.929 1.00 67.69 O +ATOM 30 N ALA A 6 -19.588 -12.150 -23.288 1.00 88.77 N +ATOM 31 CA ALA A 6 -19.485 -11.002 -22.394 1.00 90.54 C +ATOM 32 C ALA A 6 -18.015 -10.739 -22.076 1.00 90.59 C +ATOM 33 O ALA A 6 -17.200 -11.661 -22.022 1.00 86.99 O +ATOM 34 CB ALA A 6 -20.257 -11.264 -21.100 1.00 86.11 C +ATOM 35 N GLY A 7 -17.674 -9.481 -21.853 1.00 94.79 N +ATOM 36 CA GLY A 7 -16.300 -9.133 -21.520 1.00 94.42 C +ATOM 37 C GLY A 7 -15.899 -9.669 -20.159 1.00 95.09 C +ATOM 38 O GLY A 7 -16.749 -9.983 -19.325 1.00 95.20 O +ATOM 39 N ALA A 8 -14.591 -9.776 -19.936 1.00 94.40 N +ATOM 40 CA ALA A 8 -14.062 -10.264 -18.669 1.00 94.85 C +ATOM 41 C ALA A 8 -14.307 -9.241 -17.572 1.00 94.77 C +ATOM 42 O ALA A 8 -14.428 -8.049 -17.835 1.00 93.12 O +ATOM 43 CB ALA A 8 -12.565 -10.529 -18.793 1.00 91.09 C +HETATM 44 N HYP A 9 -14.388 -9.693 -16.338 1.00 93.07 N +HETATM 45 CA HYP A 9 -14.489 -8.835 -15.221 1.00 91.47 C +HETATM 46 C HYP A 9 -13.321 -7.869 -15.135 1.00 91.17 C +HETATM 47 O HYP A 9 -12.197 -8.230 -15.511 1.00 93.37 O +HETATM 48 CB HYP A 9 -14.555 -9.736 -13.959 1.00 91.84 C +HETATM 49 CG HYP A 9 -15.055 -11.042 -14.483 1.00 91.40 C +HETATM 50 CD HYP A 9 -14.470 -11.080 -15.872 1.00 92.77 C +HETATM 51 OD1 HYP A 9 -16.447 -11.082 -14.553 1.00 93.20 O +ATOM 52 N GLY A 10 -13.579 -6.661 -14.634 1.00 96.09 N +ATOM 53 CA GLY A 10 -12.539 -5.673 -14.504 1.00 95.49 C +ATOM 54 C GLY A 10 -11.477 -6.105 -13.503 1.00 95.62 C +ATOM 55 O GLY A 10 -11.682 -7.011 -12.698 1.00 95.66 O +ATOM 56 N GLU A 11 -10.311 -5.427 -13.564 1.00 93.73 N +ATOM 57 CA GLU A 11 -9.201 -5.710 -12.652 1.00 93.74 C +ATOM 58 C GLU A 11 -9.583 -5.372 -11.216 1.00 92.80 C +ATOM 59 O GLU A 11 -10.378 -4.477 -10.954 1.00 91.28 O +ATOM 60 CB GLU A 11 -7.972 -4.893 -13.046 1.00 89.92 C +ATOM 61 CG GLU A 11 -7.329 -5.333 -14.353 1.00 82.37 C +ATOM 62 CD GLU A 11 -6.569 -6.640 -14.205 1.00 76.25 C +ATOM 63 OE1 GLU A 11 -5.724 -6.729 -13.291 1.00 73.02 O +ATOM 64 OE2 GLU A 11 -6.817 -7.560 -14.995 1.00 73.34 O +ATOM 65 N ARG A 12 -8.975 -6.093 -10.262 1.00 96.77 N +ATOM 66 CA ARG A 12 -9.204 -5.819 -8.846 1.00 96.19 C +ATOM 67 C ARG A 12 -8.648 -4.441 -8.521 1.00 96.09 C +ATOM 68 O ARG A 12 -7.623 -4.032 -9.064 1.00 94.57 O +ATOM 69 CB ARG A 12 -8.512 -6.879 -7.981 1.00 93.27 C +ATOM 70 CG ARG A 12 -8.723 -6.685 -6.480 1.00 87.99 C +ATOM 71 CD ARG A 12 -7.995 -7.744 -5.674 1.00 84.82 C +ATOM 72 NE ARG A 12 -8.190 -7.570 -4.244 1.00 78.90 N +ATOM 73 CZ ARG A 12 -7.610 -8.307 -3.308 1.00 75.83 C +ATOM 74 NH1 ARG A 12 -6.784 -9.286 -3.640 1.00 71.70 N +ATOM 75 NH2 ARG A 12 -7.858 -8.073 -2.039 1.00 71.26 N +ATOM 76 N GLY A 13 -9.327 -3.731 -7.629 1.00 96.84 N +ATOM 77 CA GLY A 13 -8.865 -2.410 -7.225 1.00 96.23 C +ATOM 78 C GLY A 13 -7.557 -2.484 -6.460 1.00 96.51 C +ATOM 79 O GLY A 13 -7.133 -3.558 -6.042 1.00 96.64 O +ATOM 80 N PRO A 14 -6.905 -1.337 -6.264 1.00 97.34 N +ATOM 81 CA PRO A 14 -5.632 -1.304 -5.548 1.00 97.27 C +ATOM 82 C PRO A 14 -5.802 -1.585 -4.061 1.00 97.41 C +ATOM 83 O PRO A 14 -6.881 -1.418 -3.507 1.00 97.00 O +ATOM 84 CB PRO A 14 -5.124 0.120 -5.793 1.00 95.73 C +ATOM 85 CG PRO A 14 -6.386 0.906 -5.918 1.00 94.42 C +ATOM 86 CD PRO A 14 -7.305 -0.001 -6.709 1.00 95.90 C +HETATM 87 N HYP A 15 -4.751 -1.992 -3.402 1.00 97.08 N +HETATM 88 CA HYP A 15 -4.728 -2.226 -1.961 1.00 96.27 C +HETATM 89 C HYP A 15 -5.048 -0.965 -1.222 1.00 95.77 C +HETATM 90 O HYP A 15 -4.799 0.159 -1.723 1.00 95.24 O +HETATM 91 CB HYP A 15 -3.232 -2.672 -1.698 1.00 95.47 C +HETATM 92 CG HYP A 15 -2.803 -3.257 -3.006 1.00 95.03 C +HETATM 93 CD HYP A 15 -3.513 -2.395 -4.038 1.00 95.93 C +HETATM 94 OD1 HYP A 15 -3.194 -4.600 -3.118 1.00 93.47 O +ATOM 95 N GLY A 16 -5.590 -1.081 -0.007 1.00 97.72 N +ATOM 96 CA GLY A 16 -5.899 0.072 0.808 1.00 97.32 C +ATOM 97 C GLY A 16 -4.635 0.839 1.182 1.00 97.46 C +ATOM 98 O GLY A 16 -3.524 0.316 1.105 1.00 97.20 O +ATOM 99 N LEU A 17 -4.818 2.089 1.613 1.00 96.18 N +ATOM 100 CA LEU A 17 -3.708 2.934 2.020 1.00 95.99 C +ATOM 101 C LEU A 17 -3.067 2.427 3.306 1.00 95.74 C +ATOM 102 O LEU A 17 -3.725 1.826 4.150 1.00 94.93 O +ATOM 103 CB LEU A 17 -4.181 4.372 2.229 1.00 94.23 C +ATOM 104 CG LEU A 17 -4.684 5.107 0.985 1.00 87.22 C +ATOM 105 CD1 LEU A 17 -5.244 6.465 1.389 1.00 85.85 C +ATOM 106 CD2 LEU A 17 -3.565 5.272 -0.028 1.00 83.74 C +ATOM 107 N ALA A 18 -1.760 2.687 3.464 1.00 96.41 N +ATOM 108 CA ALA A 18 -1.053 2.312 4.677 1.00 96.48 C +ATOM 109 C ALA A 18 -1.594 3.133 5.844 1.00 96.69 C +ATOM 110 O ALA A 18 -2.098 4.238 5.656 1.00 95.19 O +ATOM 111 CB ALA A 18 0.445 2.564 4.522 1.00 94.52 C +ATOM 112 N GLY A 19 -1.487 2.582 7.053 1.00 96.75 N +ATOM 113 CA GLY A 19 -1.946 3.283 8.237 1.00 96.35 C +ATOM 114 C GLY A 19 -1.102 4.513 8.514 1.00 96.81 C +ATOM 115 O GLY A 19 -0.047 4.700 7.907 1.00 97.03 O +ATOM 116 N PRO A 20 -1.546 5.371 9.449 1.00 96.42 N +ATOM 117 CA PRO A 20 -0.812 6.588 9.779 1.00 96.29 C +ATOM 118 C PRO A 20 0.484 6.292 10.521 1.00 96.44 C +ATOM 119 O PRO A 20 0.639 5.229 11.109 1.00 95.26 O +ATOM 120 CB PRO A 20 -1.795 7.363 10.654 1.00 94.41 C +ATOM 121 CG PRO A 20 -2.580 6.286 11.321 1.00 92.49 C +ATOM 122 CD PRO A 20 -2.779 5.255 10.232 1.00 95.13 C +HETATM 123 N HYP A 21 1.414 7.240 10.512 1.00 95.35 N +HETATM 124 CA HYP A 21 2.640 7.139 11.244 1.00 95.67 C +HETATM 125 C HYP A 21 2.411 6.957 12.749 1.00 94.27 C +HETATM 126 O HYP A 21 1.393 7.460 13.266 1.00 94.77 O +HETATM 127 CB HYP A 21 3.335 8.489 10.952 1.00 94.45 C +HETATM 128 CG HYP A 21 2.775 8.898 9.606 1.00 92.97 C +HETATM 129 CD HYP A 21 1.355 8.441 9.679 1.00 95.31 C +HETATM 130 OD1 HYP A 21 3.429 8.260 8.546 1.00 92.88 O +ATOM 131 N GLY A 22 3.286 6.246 13.408 1.00 95.80 N +ATOM 132 CA GLY A 22 3.165 6.052 14.833 1.00 94.89 C +ATOM 133 C GLY A 22 3.413 7.356 15.577 1.00 95.32 C +ATOM 134 O GLY A 22 3.826 8.355 14.981 1.00 95.55 O +ATOM 135 N PRO A 23 3.173 7.376 16.909 1.00 95.90 N +ATOM 136 CA PRO A 23 3.363 8.584 17.705 1.00 95.46 C +ATOM 137 C PRO A 23 4.838 8.944 17.838 1.00 95.42 C +ATOM 138 O PRO A 23 5.708 8.096 17.714 1.00 94.17 O +ATOM 139 CB PRO A 23 2.748 8.217 19.052 1.00 93.23 C +ATOM 140 CG PRO A 23 2.950 6.739 19.126 1.00 91.53 C +ATOM 141 CD PRO A 23 2.689 6.264 17.718 1.00 94.61 C +HETATM 142 N HYP A 24 5.125 10.202 18.143 1.00 94.36 N +HETATM 143 CA HYP A 24 6.487 10.654 18.352 1.00 94.56 C +HETATM 144 C HYP A 24 7.147 9.938 19.543 1.00 95.25 C +HETATM 145 O HYP A 24 6.445 9.630 20.520 1.00 94.18 O +HETATM 146 CB HYP A 24 6.312 12.172 18.679 1.00 93.21 C +HETATM 147 CG HYP A 24 5.006 12.553 18.005 1.00 91.81 C +HETATM 148 CD HYP A 24 4.153 11.306 18.165 1.00 93.50 C +HETATM 149 OD1 HYP A 24 5.172 12.823 16.636 1.00 91.42 O +ATOM 150 N GLY A 25 8.435 9.710 19.451 1.00 93.92 N +ATOM 151 CA GLY A 25 9.145 9.075 20.530 1.00 92.86 C +ATOM 152 C GLY A 25 9.218 9.995 21.741 1.00 93.40 C +ATOM 153 O GLY A 25 8.903 11.186 21.652 1.00 93.51 O +ATOM 154 N PRO A 26 9.647 9.474 22.900 1.00 95.00 N +ATOM 155 CA PRO A 26 9.745 10.277 24.112 1.00 94.75 C +ATOM 156 C PRO A 26 10.887 11.277 24.026 1.00 94.73 C +ATOM 157 O PRO A 26 11.827 11.099 23.265 1.00 93.22 O +ATOM 158 CB PRO A 26 9.982 9.233 25.196 1.00 92.02 C +ATOM 159 CG PRO A 26 10.707 8.151 24.473 1.00 89.28 C +ATOM 160 CD PRO A 26 10.029 8.082 23.122 1.00 93.36 C +HETATM 161 N HYP A 27 10.838 12.340 24.838 1.00 94.76 N +HETATM 162 CA HYP A 27 11.932 13.301 24.882 1.00 93.08 C +HETATM 163 C HYP A 27 13.232 12.652 25.352 1.00 94.99 C +HETATM 164 O HYP A 27 13.194 11.702 26.137 1.00 94.64 O +HETATM 165 CB HYP A 27 11.444 14.302 25.997 1.00 92.68 C +HETATM 166 CG HYP A 27 9.925 14.220 25.953 1.00 89.73 C +HETATM 167 CD HYP A 27 9.671 12.735 25.676 1.00 92.19 C +HETATM 168 OD1 HYP A 27 9.389 14.990 24.893 1.00 90.89 O +ATOM 169 N GLY A 28 14.334 13.197 24.882 1.00 93.23 N +ATOM 170 CA GLY A 28 15.615 12.682 25.284 1.00 92.56 C +ATOM 171 C GLY A 28 15.863 12.952 26.760 1.00 93.43 C +ATOM 172 O GLY A 28 15.140 13.730 27.394 1.00 93.45 O +ATOM 173 N PRO A 29 16.897 12.334 27.358 1.00 94.01 N +ATOM 174 CA PRO A 29 17.208 12.530 28.769 1.00 93.68 C +ATOM 175 C PRO A 29 17.732 13.933 29.029 1.00 93.61 C +ATOM 176 O PRO A 29 18.246 14.592 28.133 1.00 91.10 O +ATOM 177 CB PRO A 29 18.260 11.466 29.042 1.00 90.27 C +ATOM 178 CG PRO A 29 18.934 11.309 27.720 1.00 87.54 C +ATOM 179 CD PRO A 29 17.809 11.388 26.721 1.00 91.66 C +HETATM 180 N HYP A 30 17.633 14.420 30.285 1.00 92.05 N +HETATM 181 CA HYP A 30 18.143 15.721 30.631 1.00 91.19 C +HETATM 182 C HYP A 30 19.632 15.809 30.424 1.00 90.89 C +HETATM 183 O HYP A 30 20.337 14.835 30.662 1.00 89.41 O +HETATM 184 CB HYP A 30 17.800 15.854 32.169 1.00 89.61 C +HETATM 185 CG HYP A 30 16.644 14.937 32.405 1.00 86.87 C +HETATM 186 CD HYP A 30 16.901 13.784 31.423 1.00 89.93 C +HETATM 187 OD1 HYP A 30 15.410 15.560 32.063 1.00 85.32 O +ATOM 188 N GLY A 31 20.108 17.029 29.984 1.00 88.59 N +ATOM 189 CA GLY A 31 21.511 17.231 29.741 1.00 86.48 C +ATOM 190 C GLY A 31 22.313 17.080 31.028 1.00 85.54 C +ATOM 191 O GLY A 31 21.772 17.225 32.127 1.00 81.79 O +ATOM 192 N VAL A 32 23.636 16.811 30.896 1.00 88.11 N +ATOM 193 CA VAL A 32 24.528 16.644 32.042 1.00 84.90 C +ATOM 194 C VAL A 32 25.772 17.514 31.899 1.00 80.85 C +ATOM 195 O VAL A 32 26.527 17.641 32.865 1.00 77.03 O +ATOM 196 CB VAL A 32 24.946 15.168 32.234 1.00 75.66 C +ATOM 197 CG1 VAL A 32 23.731 14.331 32.575 1.00 66.33 C +ATOM 198 CG2 VAL A 32 25.618 14.644 30.976 1.00 68.85 C +ATOM 199 OXT VAL A 32 26.015 18.098 30.828 1.00 65.96 O +TER 200 VAL A 32 +END diff --git a/protein_pdb_533.txt b/protein_pdb_533.txt new file mode 100644 index 0000000000000000000000000000000000000000..467bf370392162a67f6f19a05fa89b79829861a1 --- /dev/null +++ b/protein_pdb_533.txt @@ -0,0 +1,150 @@ +ATOM 1 N GLY A 1 12.537 -1.610 -7.402 1.00 90.03 N +ATOM 2 CA GLY A 1 11.443 -0.728 -7.610 1.00 90.33 C +ATOM 3 C GLY A 1 10.986 -0.016 -6.353 1.00 91.53 C +ATOM 4 O GLY A 1 11.354 -0.395 -5.244 1.00 90.34 O +ATOM 5 N PRO A 2 10.210 0.981 -6.532 1.00 88.33 N +ATOM 6 CA PRO A 2 9.692 1.742 -5.409 1.00 89.15 C +ATOM 7 C PRO A 2 8.584 0.991 -4.696 1.00 89.42 C +ATOM 8 O PRO A 2 8.070 -0.012 -5.194 1.00 86.65 O +ATOM 9 CB PRO A 2 9.169 3.010 -6.072 1.00 86.31 C +ATOM 10 CG PRO A 2 8.740 2.536 -7.415 1.00 83.21 C +ATOM 11 CD PRO A 2 9.757 1.512 -7.814 1.00 84.62 C +HETATM 12 N HYP A 3 8.232 1.509 -3.504 1.00 89.16 N +HETATM 13 CA HYP A 3 7.109 0.891 -2.819 1.00 89.47 C +HETATM 14 C HYP A 3 5.860 0.981 -3.630 1.00 91.05 C +HETATM 15 O HYP A 3 5.689 1.909 -4.422 1.00 91.13 O +HETATM 16 CB HYP A 3 6.997 1.801 -1.554 1.00 87.24 C +HETATM 17 CG HYP A 3 8.395 2.277 -1.336 1.00 82.47 C +HETATM 18 CD HYP A 3 8.906 2.493 -2.766 1.00 86.35 C +HETATM 19 OD1 HYP A 3 9.130 1.268 -0.731 1.00 87.07 O +ATOM 20 N GLY A 4 5.031 -0.019 -3.460 1.00 91.54 N +ATOM 21 CA GLY A 4 3.765 -0.041 -4.135 1.00 90.87 C +ATOM 22 C GLY A 4 2.866 1.067 -3.614 1.00 91.31 C +ATOM 23 O GLY A 4 3.162 1.710 -2.612 1.00 90.50 O +ATOM 24 N PRO A 5 1.753 1.297 -4.292 1.00 89.41 N +ATOM 25 CA PRO A 5 0.830 2.349 -3.868 1.00 89.45 C +ATOM 26 C PRO A 5 0.112 1.983 -2.581 1.00 88.94 C +ATOM 27 O PRO A 5 0.055 0.822 -2.197 1.00 86.78 O +ATOM 28 CB PRO A 5 -0.136 2.450 -5.040 1.00 88.13 C +ATOM 29 CG PRO A 5 -0.129 1.094 -5.635 1.00 86.11 C +ATOM 30 CD PRO A 5 1.280 0.611 -5.494 1.00 87.55 C +HETATM 31 N HYP A 6 -0.449 3.027 -1.904 1.00 89.07 N +HETATM 32 CA HYP A 6 -1.216 2.749 -0.732 1.00 92.35 C +HETATM 33 C HYP A 6 -2.409 1.871 -1.011 1.00 90.17 C +HETATM 34 O HYP A 6 -2.984 1.917 -2.107 1.00 92.50 O +HETATM 35 CB HYP A 6 -1.684 4.163 -0.287 1.00 86.51 C +HETATM 36 CG HYP A 6 -0.605 5.053 -0.817 1.00 85.66 C +HETATM 37 CD HYP A 6 -0.301 4.418 -2.149 1.00 88.95 C +HETATM 38 OD1 HYP A 6 0.522 4.962 0.018 1.00 87.87 O +ATOM 39 N GLY A 7 -2.709 1.041 -0.077 1.00 92.21 N +ATOM 40 CA GLY A 7 -3.862 0.195 -0.198 1.00 92.26 C +ATOM 41 C GLY A 7 -5.136 1.019 -0.182 1.00 92.53 C +ATOM 42 O GLY A 7 -5.112 2.223 0.089 1.00 91.86 O +ATOM 43 N PRO A 8 -6.240 0.393 -0.465 1.00 89.71 N +ATOM 44 CA PRO A 8 -7.510 1.108 -0.482 1.00 89.48 C +ATOM 45 C PRO A 8 -7.945 1.514 0.918 1.00 89.10 C +ATOM 46 O PRO A 8 -7.517 0.933 1.909 1.00 85.69 O +ATOM 47 CB PRO A 8 -8.477 0.094 -1.087 1.00 87.34 C +ATOM 48 CG PRO A 8 -7.892 -1.216 -0.715 1.00 85.96 C +ATOM 49 CD PRO A 8 -6.401 -1.018 -0.787 1.00 88.26 C +HETATM 50 N HYP A 9 -8.829 2.528 0.978 1.00 87.98 N +HETATM 51 CA HYP A 9 -9.348 2.944 2.248 1.00 87.89 C +HETATM 52 C HYP A 9 -10.149 1.847 2.859 1.00 87.96 C +HETATM 53 O HYP A 9 -10.724 1.021 2.180 1.00 89.77 O +HETATM 54 CB HYP A 9 -10.262 4.112 1.850 1.00 84.11 C +HETATM 55 CG HYP A 9 -9.718 4.592 0.586 1.00 80.90 C +HETATM 56 CD HYP A 9 -9.240 3.363 -0.107 1.00 85.75 C +HETATM 57 OD1 HYP A 9 -8.617 5.423 0.835 1.00 83.15 O +ATOM 58 N GLY A 10 -10.215 1.845 4.138 1.00 88.55 N +ATOM 59 CA GLY A 10 -10.967 0.867 4.874 1.00 86.18 C +ATOM 60 C GLY A 10 -12.463 1.115 4.863 1.00 86.35 C +ATOM 61 O GLY A 10 -13.175 0.576 5.706 1.00 84.49 O +ATOM 62 N GLY A 11 -12.940 1.938 3.946 1.00 82.04 N +ATOM 63 CA GLY A 11 -14.346 2.297 3.879 1.00 82.03 C +ATOM 64 C GLY A 11 -14.553 3.676 4.444 1.00 84.72 C +ATOM 65 O GLY A 11 -15.152 4.548 3.806 1.00 80.69 O +ATOM 66 N SER A 12 -14.042 3.885 5.627 1.00 81.50 N +ATOM 67 CA SER A 12 -14.031 5.186 6.271 1.00 85.25 C +ATOM 68 C SER A 12 -12.735 5.349 7.049 1.00 86.70 C +ATOM 69 O SER A 12 -12.621 6.201 7.921 1.00 82.03 O +ATOM 70 CB SER A 12 -15.231 5.330 7.211 1.00 79.73 C +ATOM 71 OG SER A 12 -15.221 4.306 8.179 1.00 73.82 O +ATOM 72 N GLY A 13 -11.778 4.508 6.726 1.00 90.62 N +ATOM 73 CA GLY A 13 -10.502 4.513 7.413 1.00 89.11 C +ATOM 74 C GLY A 13 -9.377 4.934 6.506 1.00 90.17 C +ATOM 75 O GLY A 13 -9.588 5.263 5.340 1.00 89.45 O +ATOM 76 N PRO A 14 -8.167 4.950 7.032 1.00 91.10 N +ATOM 77 CA PRO A 14 -7.013 5.375 6.252 1.00 91.08 C +ATOM 78 C PRO A 14 -6.669 4.369 5.162 1.00 91.21 C +ATOM 79 O PRO A 14 -7.066 3.214 5.221 1.00 89.39 O +ATOM 80 CB PRO A 14 -5.894 5.472 7.288 1.00 89.53 C +ATOM 81 CG PRO A 14 -6.283 4.472 8.312 1.00 88.31 C +ATOM 82 CD PRO A 14 -7.778 4.537 8.387 1.00 88.93 C +HETATM 83 N HYP A 15 -5.948 4.855 4.186 1.00 89.58 N +HETATM 84 CA HYP A 15 -5.432 3.967 3.188 1.00 91.97 C +HETATM 85 C HYP A 15 -4.574 2.899 3.755 1.00 91.88 C +HETATM 86 O HYP A 15 -3.970 3.103 4.835 1.00 91.40 O +HETATM 87 CB HYP A 15 -4.642 4.954 2.310 1.00 89.14 C +HETATM 88 CG HYP A 15 -5.377 6.256 2.499 1.00 84.92 C +HETATM 89 CD HYP A 15 -5.733 6.224 3.959 1.00 89.15 C +HETATM 90 OD1 HYP A 15 -6.516 6.272 1.708 1.00 86.73 O +ATOM 91 N GLY A 16 -4.523 1.796 3.097 1.00 92.50 N +ATOM 92 CA GLY A 16 -3.653 0.736 3.512 1.00 91.96 C +ATOM 93 C GLY A 16 -2.207 1.147 3.381 1.00 92.73 C +ATOM 94 O GLY A 16 -1.881 2.178 2.795 1.00 91.98 O +ATOM 95 N PRO A 17 -1.316 0.339 3.921 1.00 91.41 N +ATOM 96 CA PRO A 17 0.101 0.657 3.851 1.00 91.49 C +ATOM 97 C PRO A 17 0.636 0.515 2.438 1.00 92.03 C +ATOM 98 O PRO A 17 0.051 -0.171 1.604 1.00 90.50 O +ATOM 99 CB PRO A 17 0.739 -0.355 4.796 1.00 89.78 C +ATOM 100 CG PRO A 17 -0.195 -1.505 4.766 1.00 87.69 C +ATOM 101 CD PRO A 17 -1.563 -0.910 4.642 1.00 89.12 C +HETATM 102 N HYP A 18 1.771 1.190 2.148 1.00 87.57 N +HETATM 103 CA HYP A 18 2.390 1.022 0.909 1.00 88.56 C +HETATM 104 C HYP A 18 2.782 -0.381 0.638 1.00 89.09 C +HETATM 105 O HYP A 18 3.078 -1.152 1.568 1.00 90.55 O +HETATM 106 CB HYP A 18 3.627 1.930 1.025 1.00 85.92 C +HETATM 107 CG HYP A 18 3.200 2.971 2.018 1.00 84.80 C +HETATM 108 CD HYP A 18 2.377 2.158 2.985 1.00 89.37 C +HETATM 109 OD1 HYP A 18 2.376 3.929 1.382 1.00 87.50 O +ATOM 110 N GLY A 19 2.744 -0.750 -0.601 1.00 89.62 N +ATOM 111 CA GLY A 19 3.181 -2.055 -0.999 1.00 89.65 C +ATOM 112 C GLY A 19 4.675 -2.205 -0.793 1.00 89.84 C +ATOM 113 O GLY A 19 5.381 -1.235 -0.537 1.00 89.20 O +ATOM 114 N PRO A 20 5.160 -3.420 -0.895 1.00 86.60 N +ATOM 115 CA PRO A 20 6.581 -3.651 -0.710 1.00 86.27 C +ATOM 116 C PRO A 20 7.394 -3.106 -1.873 1.00 85.91 C +ATOM 117 O PRO A 20 6.867 -2.864 -2.952 1.00 84.45 O +ATOM 118 CB PRO A 20 6.672 -5.176 -0.633 1.00 84.21 C +ATOM 119 CG PRO A 20 5.524 -5.635 -1.450 1.00 82.10 C +ATOM 120 CD PRO A 20 4.427 -4.638 -1.188 1.00 84.28 C +HETATM 121 N HYP A 21 8.693 -2.898 -1.619 1.00 87.57 N +HETATM 122 CA HYP A 21 9.541 -2.479 -2.681 1.00 89.86 C +HETATM 123 C HYP A 21 9.570 -3.454 -3.830 1.00 88.55 C +HETATM 124 O HYP A 21 9.496 -4.654 -3.597 1.00 91.62 O +HETATM 125 CB HYP A 21 10.933 -2.447 -2.030 1.00 85.90 C +HETATM 126 CG HYP A 21 10.648 -2.217 -0.591 1.00 80.84 C +HETATM 127 CD HYP A 21 9.388 -3.004 -0.374 1.00 87.53 C +HETATM 128 OD1 HYP A 21 10.364 -0.837 -0.366 1.00 84.63 O +ATOM 129 N GLY A 22 9.572 -2.933 -5.022 1.00 90.61 N +ATOM 130 CA GLY A 22 9.661 -3.761 -6.182 1.00 88.89 C +ATOM 131 C GLY A 22 11.055 -4.347 -6.304 1.00 88.34 C +ATOM 132 O GLY A 22 11.970 -3.949 -5.578 1.00 86.77 O +ATOM 133 N PRO A 23 11.241 -5.268 -7.218 1.00 90.13 N +ATOM 134 CA PRO A 23 12.559 -5.855 -7.426 1.00 90.35 C +ATOM 135 C PRO A 23 13.457 -4.867 -8.156 1.00 88.92 C +ATOM 136 O PRO A 23 13.307 -4.663 -9.353 1.00 85.65 O +ATOM 137 CB PRO A 23 12.257 -7.091 -8.262 1.00 87.61 C +ATOM 138 CG PRO A 23 11.027 -6.728 -9.005 1.00 84.08 C +ATOM 139 CD PRO A 23 10.233 -5.846 -8.073 1.00 86.16 C +HETATM 140 N HYP A 24 14.231 -4.136 -7.439 1.00 91.16 N +HETATM 141 CA HYP A 24 14.811 -2.865 -7.828 1.00 88.84 C +HETATM 142 C HYP A 24 13.952 -1.724 -7.904 1.00 90.85 C +HETATM 143 O HYP A 24 13.932 -1.108 -9.053 1.00 88.90 O +HETATM 144 CB HYP A 24 16.166 -2.750 -7.514 1.00 86.44 C +HETATM 145 CG HYP A 24 16.572 -4.193 -7.526 1.00 86.15 C +HETATM 146 CD HYP A 24 15.267 -4.983 -7.228 1.00 88.92 C +HETATM 147 OD1 HYP A 24 17.539 -4.464 -6.570 1.00 87.18 O +HETATM 148 OXT HYP A 24 14.200 -0.672 -7.006 1.00 85.65 O +TER 149 HYP A 24 +END diff --git a/protein_pdb_534.txt b/protein_pdb_534.txt new file mode 100644 index 0000000000000000000000000000000000000000..0b9f9a7afa4712d20e461a867f791f2a0b5deb55 --- /dev/null +++ b/protein_pdb_534.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 13.420 2.753 5.933 1.00 92.14 N +ATOM 2 CA GLY A 1 12.895 3.284 4.697 1.00 93.14 C +ATOM 3 C GLY A 1 11.463 3.743 4.852 1.00 93.62 C +ATOM 4 O GLY A 1 10.838 3.513 5.876 1.00 92.17 O +ATOM 5 N PRO A 2 10.860 4.360 3.799 1.00 93.43 N +ATOM 6 CA PRO A 2 9.502 4.863 3.862 1.00 93.59 C +ATOM 7 C PRO A 2 8.479 3.746 3.740 1.00 93.41 C +ATOM 8 O PRO A 2 8.790 2.639 3.322 1.00 92.02 O +ATOM 9 CB PRO A 2 9.437 5.820 2.674 1.00 91.67 C +ATOM 10 CG PRO A 2 10.377 5.213 1.698 1.00 89.15 C +ATOM 11 CD PRO A 2 11.519 4.698 2.534 1.00 91.06 C +HETATM 12 N HYP A 3 7.240 4.078 4.129 1.00 90.95 N +HETATM 13 CA HYP A 3 6.178 3.103 3.957 1.00 90.45 C +HETATM 14 C HYP A 3 5.997 2.726 2.508 1.00 91.69 C +HETATM 15 O HYP A 3 6.227 3.563 1.603 1.00 93.28 O +HETATM 16 CB HYP A 3 4.905 3.936 4.408 1.00 88.35 C +HETATM 17 CG HYP A 3 5.454 4.974 5.368 1.00 85.85 C +HETATM 18 CD HYP A 3 6.837 5.334 4.728 1.00 90.00 C +HETATM 19 OD1 HYP A 3 5.664 4.371 6.613 1.00 89.42 O +ATOM 20 N GLY A 4 5.679 1.466 2.284 1.00 93.50 N +ATOM 21 CA GLY A 4 5.440 1.004 0.945 1.00 92.88 C +ATOM 22 C GLY A 4 4.179 1.621 0.380 1.00 93.21 C +ATOM 23 O GLY A 4 3.388 2.227 1.104 1.00 93.75 O +ATOM 24 N PRO A 5 3.980 1.480 -0.925 1.00 94.00 N +ATOM 25 CA PRO A 5 2.790 2.038 -1.557 1.00 93.56 C +ATOM 26 C PRO A 5 1.543 1.287 -1.139 1.00 93.34 C +ATOM 27 O PRO A 5 1.611 0.170 -0.645 1.00 92.56 O +ATOM 28 CB PRO A 5 3.078 1.874 -3.050 1.00 92.64 C +ATOM 29 CG PRO A 5 3.955 0.668 -3.100 1.00 91.55 C +ATOM 30 CD PRO A 5 4.826 0.778 -1.881 1.00 93.27 C +HETATM 31 N HYP A 6 0.365 1.946 -1.331 1.00 91.46 N +HETATM 32 CA HYP A 6 -0.852 1.265 -1.055 1.00 93.86 C +HETATM 33 C HYP A 6 -0.995 0.019 -1.870 1.00 92.09 C +HETATM 34 O HYP A 6 -0.483 -0.042 -3.014 1.00 93.27 O +HETATM 35 CB HYP A 6 -1.923 2.324 -1.505 1.00 88.49 C +HETATM 36 CG HYP A 6 -1.229 3.646 -1.342 1.00 89.10 C +HETATM 37 CD HYP A 6 0.204 3.319 -1.777 1.00 91.77 C +HETATM 38 OD1 HYP A 6 -1.252 4.026 0.015 1.00 88.69 O +ATOM 39 N GLY A 7 -1.581 -0.995 -1.300 1.00 93.90 N +ATOM 40 CA GLY A 7 -1.806 -2.223 -2.005 1.00 93.36 C +ATOM 41 C GLY A 7 -2.726 -1.999 -3.189 1.00 94.02 C +ATOM 42 O GLY A 7 -3.364 -0.955 -3.308 1.00 94.19 O +ATOM 43 N PRO A 8 -2.788 -2.966 -4.074 1.00 94.30 N +ATOM 44 CA PRO A 8 -3.639 -2.827 -5.245 1.00 94.16 C +ATOM 45 C PRO A 8 -5.104 -2.875 -4.870 1.00 94.23 C +ATOM 46 O PRO A 8 -5.483 -3.415 -3.837 1.00 92.80 O +ATOM 47 CB PRO A 8 -3.234 -4.014 -6.116 1.00 92.45 C +ATOM 48 CG PRO A 8 -2.796 -5.034 -5.126 1.00 90.93 C +ATOM 49 CD PRO A 8 -2.093 -4.247 -4.050 1.00 92.80 C +HETATM 50 N HYP A 9 -5.930 -2.297 -5.725 1.00 91.05 N +HETATM 51 CA HYP A 9 -7.317 -2.333 -5.509 1.00 92.59 C +HETATM 52 C HYP A 9 -7.831 -3.742 -5.601 1.00 92.25 C +HETATM 53 O HYP A 9 -7.331 -4.539 -6.418 1.00 92.02 O +HETATM 54 CB HYP A 9 -7.870 -1.518 -6.729 1.00 88.47 C +HETATM 55 CG HYP A 9 -6.741 -0.678 -7.202 1.00 87.97 C +HETATM 56 CD HYP A 9 -5.517 -1.485 -6.904 1.00 91.66 C +HETATM 57 OD1 HYP A 9 -6.682 0.495 -6.419 1.00 87.96 O +ATOM 58 N GLY A 10 -8.728 -4.143 -4.761 1.00 92.80 N +ATOM 59 CA GLY A 10 -9.408 -5.399 -4.948 1.00 90.99 C +ATOM 60 C GLY A 10 -10.343 -5.191 -6.123 1.00 90.85 C +ATOM 61 O GLY A 10 -10.394 -4.113 -6.716 1.00 89.86 O +ATOM 62 N HIS A 11 -11.070 -6.202 -6.467 1.00 92.81 N +ATOM 63 CA HIS A 11 -12.045 -5.986 -7.529 1.00 94.48 C +ATOM 64 C HIS A 11 -13.174 -5.184 -6.918 1.00 94.41 C +ATOM 65 O HIS A 11 -14.056 -5.719 -6.266 1.00 92.60 O +ATOM 66 CB HIS A 11 -12.495 -7.326 -8.110 1.00 93.03 C +ATOM 67 CG HIS A 11 -11.473 -7.885 -9.056 1.00 88.37 C +ATOM 68 ND1 HIS A 11 -11.533 -7.711 -10.415 1.00 82.19 N +ATOM 69 CD2 HIS A 11 -10.342 -8.569 -8.802 1.00 79.56 C +ATOM 70 CE1 HIS A 11 -10.459 -8.281 -10.961 1.00 81.75 C +ATOM 71 NE2 HIS A 11 -9.720 -8.798 -10.018 1.00 82.87 N +ATOM 72 N ASN A 12 -13.065 -3.879 -7.087 1.00 92.60 N +ATOM 73 CA ASN A 12 -13.941 -2.853 -6.531 1.00 94.19 C +ATOM 74 C ASN A 12 -13.634 -2.519 -5.081 1.00 94.57 C +ATOM 75 O ASN A 12 -14.171 -1.558 -4.555 1.00 91.53 O +ATOM 76 CB ASN A 12 -15.425 -3.228 -6.675 1.00 91.83 C +ATOM 77 CG ASN A 12 -15.743 -3.691 -8.076 1.00 86.91 C +ATOM 78 OD1 ASN A 12 -16.109 -4.840 -8.287 1.00 84.72 O +ATOM 79 ND2 ASN A 12 -15.581 -2.812 -9.046 1.00 80.17 N +ATOM 80 N GLY A 13 -12.771 -3.282 -4.447 1.00 94.20 N +ATOM 81 CA GLY A 13 -12.419 -3.004 -3.073 1.00 93.44 C +ATOM 82 C GLY A 13 -11.446 -1.844 -2.968 1.00 94.24 C +ATOM 83 O GLY A 13 -10.852 -1.429 -3.957 1.00 94.19 O +ATOM 84 N PRO A 14 -11.277 -1.305 -1.775 1.00 94.82 N +ATOM 85 CA PRO A 14 -10.354 -0.201 -1.580 1.00 94.55 C +ATOM 86 C PRO A 14 -8.911 -0.665 -1.696 1.00 94.72 C +ATOM 87 O PRO A 14 -8.616 -1.853 -1.565 1.00 93.62 O +ATOM 88 CB PRO A 14 -10.674 0.298 -0.174 1.00 93.21 C +ATOM 89 CG PRO A 14 -11.148 -0.927 0.519 1.00 92.04 C +ATOM 90 CD PRO A 14 -11.934 -1.680 -0.523 1.00 93.66 C +HETATM 91 N HYP A 15 -8.024 0.314 -1.920 1.00 94.35 N +HETATM 92 CA HYP A 15 -6.626 -0.022 -1.948 1.00 94.85 C +HETATM 93 C HYP A 15 -6.183 -0.581 -0.628 1.00 95.67 C +HETATM 94 O HYP A 15 -6.779 -0.227 0.417 1.00 94.64 O +HETATM 95 CB HYP A 15 -6.007 1.377 -2.200 1.00 91.97 C +HETATM 96 CG HYP A 15 -7.087 2.168 -2.930 1.00 91.09 C +HETATM 97 CD HYP A 15 -8.340 1.696 -2.254 1.00 93.22 C +HETATM 98 OD1 HYP A 15 -7.097 1.828 -4.281 1.00 91.07 O +ATOM 99 N GLY A 16 -5.220 -1.453 -0.667 1.00 95.92 N +ATOM 100 CA GLY A 16 -4.691 -1.987 0.555 1.00 95.65 C +ATOM 101 C GLY A 16 -3.956 -0.907 1.327 1.00 95.84 C +ATOM 102 O GLY A 16 -3.696 0.180 0.806 1.00 95.57 O +ATOM 103 N PRO A 17 -3.626 -1.196 2.579 1.00 94.03 N +ATOM 104 CA PRO A 17 -2.911 -0.221 3.391 1.00 93.68 C +ATOM 105 C PRO A 17 -1.481 -0.046 2.900 1.00 93.73 C +ATOM 106 O PRO A 17 -0.954 -0.883 2.173 1.00 92.47 O +ATOM 107 CB PRO A 17 -2.960 -0.827 4.790 1.00 92.34 C +ATOM 108 CG PRO A 17 -3.025 -2.289 4.532 1.00 90.63 C +ATOM 109 CD PRO A 17 -3.890 -2.429 3.309 1.00 92.61 C +HETATM 110 N HYP A 18 -0.858 1.086 3.319 1.00 90.48 N +HETATM 111 CA HYP A 18 0.510 1.258 2.990 1.00 91.89 C +HETATM 112 C HYP A 18 1.351 0.123 3.492 1.00 90.29 C +HETATM 113 O HYP A 18 1.038 -0.452 4.555 1.00 92.09 O +HETATM 114 CB HYP A 18 0.877 2.561 3.738 1.00 87.82 C +HETATM 115 CG HYP A 18 -0.414 3.320 3.820 1.00 86.78 C +HETATM 116 CD HYP A 18 -1.421 2.212 4.039 1.00 90.39 C +HETATM 117 OD1 HYP A 18 -0.682 3.982 2.594 1.00 88.36 O +ATOM 118 N GLY A 19 2.343 -0.257 2.737 1.00 91.23 N +ATOM 119 CA GLY A 19 3.233 -1.309 3.140 1.00 91.39 C +ATOM 120 C GLY A 19 4.037 -0.892 4.355 1.00 91.80 C +ATOM 121 O GLY A 19 4.063 0.286 4.726 1.00 92.28 O +ATOM 122 N PRO A 20 4.701 -1.842 4.985 1.00 85.42 N +ATOM 123 CA PRO A 20 5.506 -1.527 6.151 1.00 86.09 C +ATOM 124 C PRO A 20 6.743 -0.730 5.763 1.00 85.10 C +ATOM 125 O PRO A 20 7.159 -0.726 4.611 1.00 86.61 O +ATOM 126 CB PRO A 20 5.877 -2.902 6.704 1.00 84.80 C +ATOM 127 CG PRO A 20 5.892 -3.767 5.492 1.00 81.54 C +ATOM 128 CD PRO A 20 4.751 -3.258 4.647 1.00 82.82 C +HETATM 129 N HYP A 21 7.311 -0.039 6.750 1.00 88.35 N +HETATM 130 CA HYP A 21 8.523 0.670 6.486 1.00 88.59 C +HETATM 131 C HYP A 21 9.649 -0.236 6.005 1.00 88.88 C +HETATM 132 O HYP A 21 9.721 -1.379 6.440 1.00 90.84 O +HETATM 133 CB HYP A 21 8.887 1.279 7.864 1.00 86.40 C +HETATM 134 CG HYP A 21 7.578 1.375 8.600 1.00 82.05 C +HETATM 135 CD HYP A 21 6.821 0.144 8.118 1.00 88.59 C +HETATM 136 OD1 HYP A 21 6.859 2.533 8.168 1.00 84.89 O +ATOM 137 N GLY A 22 10.418 0.218 5.081 1.00 89.04 N +ATOM 138 CA GLY A 22 11.545 -0.538 4.624 1.00 86.66 C +ATOM 139 C GLY A 22 12.612 -0.569 5.709 1.00 86.50 C +ATOM 140 O GLY A 22 12.480 0.078 6.745 1.00 87.61 O +ATOM 141 N PRO A 23 13.688 -1.307 5.496 1.00 89.84 N +ATOM 142 CA PRO A 23 14.753 -1.360 6.486 1.00 89.87 C +ATOM 143 C PRO A 23 15.396 0.011 6.612 1.00 88.60 C +ATOM 144 O PRO A 23 15.810 0.603 5.623 1.00 85.75 O +ATOM 145 CB PRO A 23 15.708 -2.409 5.931 1.00 87.35 C +ATOM 146 CG PRO A 23 15.437 -2.426 4.477 1.00 85.14 C +ATOM 147 CD PRO A 23 13.967 -2.130 4.333 1.00 87.81 C +HETATM 148 N HYP A 24 15.433 0.555 7.749 1.00 92.95 N +HETATM 149 CA HYP A 24 15.880 1.964 7.836 1.00 88.14 C +HETATM 150 C HYP A 24 14.869 2.922 7.208 1.00 91.77 C +HETATM 151 O HYP A 24 15.253 4.037 6.710 1.00 89.61 O +HETATM 152 CB HYP A 24 15.955 2.238 9.319 1.00 87.82 C +HETATM 153 CG HYP A 24 16.017 0.871 10.005 1.00 86.32 C +HETATM 154 CD HYP A 24 15.546 -0.156 8.959 1.00 90.62 C +HETATM 155 OD1 HYP A 24 17.342 0.555 10.309 1.00 86.88 O +HETATM 156 OXT HYP A 24 13.573 2.909 7.458 1.00 86.84 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_535.txt b/protein_pdb_535.txt new file mode 100644 index 0000000000000000000000000000000000000000..e230486b92b91fa4141d98ecfa3a66b3bacf100a --- /dev/null +++ b/protein_pdb_535.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 13.630 -1.480 -7.644 1.00 88.04 N +ATOM 2 CA GLY A 1 12.711 -0.394 -7.675 1.00 88.64 C +ATOM 3 C GLY A 1 12.231 0.119 -6.334 1.00 89.82 C +ATOM 4 O GLY A 1 12.525 -0.459 -5.286 1.00 87.92 O +ATOM 5 N PRO A 2 11.490 1.183 -6.367 1.00 89.23 N +ATOM 6 CA PRO A 2 10.965 1.802 -5.166 1.00 90.09 C +ATOM 7 C PRO A 2 9.794 1.029 -4.593 1.00 90.11 C +ATOM 8 O PRO A 2 9.262 0.122 -5.231 1.00 87.89 O +ATOM 9 CB PRO A 2 10.542 3.179 -5.657 1.00 86.75 C +ATOM 10 CG PRO A 2 10.113 2.907 -7.058 1.00 82.45 C +ATOM 11 CD PRO A 2 11.122 1.916 -7.573 1.00 85.10 C +HETATM 12 N HYP A 3 9.415 1.410 -3.385 1.00 89.65 N +HETATM 13 CA HYP A 3 8.232 0.783 -2.813 1.00 88.95 C +HETATM 14 C HYP A 3 7.020 1.006 -3.635 1.00 92.09 C +HETATM 15 O HYP A 3 6.925 2.031 -4.348 1.00 92.31 O +HETATM 16 CB HYP A 3 8.129 1.509 -1.438 1.00 88.67 C +HETATM 17 CG HYP A 3 9.553 1.857 -1.115 1.00 84.07 C +HETATM 18 CD HYP A 3 10.122 2.234 -2.500 1.00 87.70 C +HETATM 19 OD1 HYP A 3 10.180 0.714 -0.633 1.00 87.02 O +ATOM 20 N GLY A 4 6.159 0.030 -3.613 1.00 93.30 N +ATOM 21 CA GLY A 4 4.939 0.119 -4.362 1.00 92.98 C +ATOM 22 C GLY A 4 4.058 1.199 -3.764 1.00 94.01 C +ATOM 23 O GLY A 4 4.348 1.744 -2.701 1.00 94.17 O +ATOM 24 N PRO A 5 2.958 1.518 -4.435 1.00 90.00 N +ATOM 25 CA PRO A 5 2.051 2.546 -3.936 1.00 89.66 C +ATOM 26 C PRO A 5 1.291 2.075 -2.705 1.00 90.14 C +ATOM 27 O PRO A 5 1.218 0.886 -2.427 1.00 89.04 O +ATOM 28 CB PRO A 5 1.121 2.791 -5.117 1.00 87.49 C +ATOM 29 CG PRO A 5 1.094 1.478 -5.814 1.00 84.63 C +ATOM 30 CD PRO A 5 2.496 0.969 -5.708 1.00 87.07 C +HETATM 31 N HYP A 6 0.736 3.041 -1.967 1.00 90.66 N +HETATM 32 CA HYP A 6 -0.086 2.689 -0.834 1.00 93.56 C +HETATM 33 C HYP A 6 -1.262 1.850 -1.217 1.00 91.59 C +HETATM 34 O HYP A 6 -1.814 1.997 -2.346 1.00 93.00 O +HETATM 35 CB HYP A 6 -0.541 4.062 -0.329 1.00 87.56 C +HETATM 36 CG HYP A 6 0.552 4.987 -0.755 1.00 84.68 C +HETATM 37 CD HYP A 6 0.921 4.431 -2.103 1.00 88.45 C +HETATM 38 OD1 HYP A 6 1.628 4.866 0.129 1.00 87.50 O +ATOM 39 N GLY A 7 -1.603 0.941 -0.366 1.00 93.90 N +ATOM 40 CA GLY A 7 -2.742 0.101 -0.614 1.00 93.36 C +ATOM 41 C GLY A 7 -4.005 0.937 -0.591 1.00 94.02 C +ATOM 42 O GLY A 7 -3.981 2.115 -0.234 1.00 93.67 O +ATOM 43 N PRO A 8 -5.114 0.345 -0.963 1.00 93.90 N +ATOM 44 CA PRO A 8 -6.374 1.078 -0.968 1.00 93.56 C +ATOM 45 C PRO A 8 -6.863 1.366 0.440 1.00 93.53 C +ATOM 46 O PRO A 8 -6.494 0.693 1.391 1.00 91.38 O +ATOM 47 CB PRO A 8 -7.320 0.147 -1.715 1.00 91.73 C +ATOM 48 CG PRO A 8 -6.784 -1.202 -1.407 1.00 90.78 C +ATOM 49 CD PRO A 8 -5.282 -1.025 -1.428 1.00 92.75 C +HETATM 50 N HYP A 9 -7.715 2.370 0.582 1.00 91.95 N +HETATM 51 CA HYP A 9 -8.287 2.709 1.834 1.00 89.19 C +HETATM 52 C HYP A 9 -9.218 1.620 2.289 1.00 90.25 C +HETATM 53 O HYP A 9 -9.809 0.899 1.480 1.00 90.70 O +HETATM 54 CB HYP A 9 -9.156 3.934 1.472 1.00 85.63 C +HETATM 55 CG HYP A 9 -8.520 4.510 0.285 1.00 85.44 C +HETATM 56 CD HYP A 9 -8.012 3.340 -0.447 1.00 90.25 C +HETATM 57 OD1 HYP A 9 -7.441 5.315 0.687 1.00 84.53 O +ATOM 58 N GLY A 10 -9.384 1.457 3.540 1.00 93.10 N +ATOM 59 CA GLY A 10 -10.421 0.603 4.055 1.00 90.89 C +ATOM 60 C GLY A 10 -11.741 1.305 3.812 1.00 91.41 C +ATOM 61 O GLY A 10 -11.786 2.386 3.225 1.00 90.29 O +ATOM 62 N SER A 11 -12.818 0.730 4.280 1.00 93.39 N +ATOM 63 CA SER A 11 -14.130 1.353 4.100 1.00 93.30 C +ATOM 64 C SER A 11 -14.097 2.804 4.564 1.00 93.66 C +ATOM 65 O SER A 11 -14.595 3.700 3.882 1.00 91.12 O +ATOM 66 CB SER A 11 -15.185 0.597 4.892 1.00 90.04 C +ATOM 67 OG SER A 11 -15.218 -0.752 4.509 1.00 83.59 O +ATOM 68 N TYR A 12 -13.514 3.015 5.715 1.00 86.90 N +ATOM 69 CA TYR A 12 -13.349 4.343 6.293 1.00 88.31 C +ATOM 70 C TYR A 12 -12.005 4.394 7.002 1.00 87.77 C +ATOM 71 O TYR A 12 -11.882 4.895 8.116 1.00 84.61 O +ATOM 72 CB TYR A 12 -14.479 4.641 7.291 1.00 87.01 C +ATOM 73 CG TYR A 12 -15.835 4.751 6.638 1.00 81.66 C +ATOM 74 CD1 TYR A 12 -16.214 5.921 5.994 1.00 79.37 C +ATOM 75 CD2 TYR A 12 -16.727 3.690 6.650 1.00 78.39 C +ATOM 76 CE1 TYR A 12 -17.451 6.026 5.369 1.00 76.70 C +ATOM 77 CE2 TYR A 12 -17.961 3.784 6.025 1.00 77.83 C +ATOM 78 CZ TYR A 12 -18.318 4.954 5.391 1.00 75.98 C +ATOM 79 OH TYR A 12 -19.543 5.054 4.766 1.00 75.17 O +ATOM 80 N GLY A 13 -10.990 3.858 6.350 1.00 94.79 N +ATOM 81 CA GLY A 13 -9.680 3.761 6.951 1.00 93.86 C +ATOM 82 C GLY A 13 -8.568 4.294 6.087 1.00 94.44 C +ATOM 83 O GLY A 13 -8.780 4.672 4.932 1.00 94.17 O +ATOM 84 N PRO A 14 -7.380 4.347 6.642 1.00 94.22 N +ATOM 85 CA PRO A 14 -6.224 4.867 5.926 1.00 93.75 C +ATOM 86 C PRO A 14 -5.781 3.932 4.817 1.00 93.72 C +ATOM 87 O PRO A 14 -6.158 2.764 4.777 1.00 92.84 O +ATOM 88 CB PRO A 14 -5.167 4.992 7.009 1.00 92.60 C +ATOM 89 CG PRO A 14 -5.507 3.892 7.951 1.00 91.44 C +ATOM 90 CD PRO A 14 -7.011 3.896 7.987 1.00 92.32 C +HETATM 91 N HYP A 15 -4.990 4.482 3.937 1.00 90.55 N +HETATM 92 CA HYP A 15 -4.398 3.650 2.923 1.00 93.35 C +HETATM 93 C HYP A 15 -3.574 2.571 3.480 1.00 92.97 C +HETATM 94 O HYP A 15 -3.040 2.720 4.613 1.00 93.46 O +HETATM 95 CB HYP A 15 -3.584 4.691 2.137 1.00 89.43 C +HETATM 96 CG HYP A 15 -4.311 5.994 2.391 1.00 85.30 C +HETATM 97 CD HYP A 15 -4.770 5.860 3.806 1.00 90.10 C +HETATM 98 OD1 HYP A 15 -5.398 6.091 1.525 1.00 89.69 O +ATOM 99 N GLY A 16 -3.457 1.502 2.770 1.00 94.92 N +ATOM 100 CA GLY A 16 -2.626 0.421 3.198 1.00 94.35 C +ATOM 101 C GLY A 16 -1.175 0.837 3.131 1.00 94.94 C +ATOM 102 O GLY A 16 -0.845 1.908 2.623 1.00 94.53 O +ATOM 103 N PRO A 17 -0.296 -0.008 3.642 1.00 93.63 N +ATOM 104 CA PRO A 17 1.122 0.315 3.617 1.00 93.28 C +ATOM 105 C PRO A 17 1.673 0.247 2.201 1.00 93.93 C +ATOM 106 O PRO A 17 1.082 -0.360 1.318 1.00 92.89 O +ATOM 107 CB PRO A 17 1.741 -0.739 4.525 1.00 91.67 C +ATOM 108 CG PRO A 17 0.819 -1.894 4.392 1.00 89.78 C +ATOM 109 CD PRO A 17 -0.548 -1.282 4.306 1.00 90.94 C +HETATM 110 N HYP A 18 2.804 0.916 1.990 1.00 89.48 N +HETATM 111 CA HYP A 18 3.444 0.809 0.730 1.00 93.39 C +HETATM 112 C HYP A 18 3.780 -0.570 0.360 1.00 91.19 C +HETATM 113 O HYP A 18 4.043 -1.425 1.229 1.00 92.51 O +HETATM 114 CB HYP A 18 4.673 1.674 0.919 1.00 88.70 C +HETATM 115 CG HYP A 18 4.283 2.650 1.994 1.00 86.99 C +HETATM 116 CD HYP A 18 3.418 1.809 2.890 1.00 90.06 C +HETATM 117 OD1 HYP A 18 3.533 3.698 1.435 1.00 90.66 O +ATOM 118 N GLY A 19 3.767 -0.849 -0.916 1.00 93.53 N +ATOM 119 CA GLY A 19 4.120 -2.146 -1.409 1.00 93.29 C +ATOM 120 C GLY A 19 5.603 -2.384 -1.218 1.00 93.70 C +ATOM 121 O GLY A 19 6.349 -1.484 -0.853 1.00 93.67 O +ATOM 122 N PRO A 20 6.037 -3.600 -1.458 1.00 88.32 N +ATOM 123 CA PRO A 20 7.445 -3.915 -1.298 1.00 87.29 C +ATOM 124 C PRO A 20 8.281 -3.292 -2.396 1.00 87.20 C +ATOM 125 O PRO A 20 7.767 -2.896 -3.440 1.00 86.91 O +ATOM 126 CB PRO A 20 7.462 -5.440 -1.366 1.00 84.88 C +ATOM 127 CG PRO A 20 6.320 -5.751 -2.254 1.00 82.22 C +ATOM 128 CD PRO A 20 5.253 -4.755 -1.865 1.00 84.75 C +HETATM 129 N HYP A 21 9.579 -3.178 -2.143 1.00 89.05 N +HETATM 130 CA HYP A 21 10.457 -2.698 -3.150 1.00 89.19 C +HETATM 131 C HYP A 21 10.427 -3.488 -4.415 1.00 87.98 C +HETATM 132 O HYP A 21 10.278 -4.717 -4.363 1.00 91.16 O +HETATM 133 CB HYP A 21 11.826 -2.763 -2.503 1.00 86.70 C +HETATM 134 CG HYP A 21 11.562 -2.673 -1.035 1.00 81.97 C +HETATM 135 CD HYP A 21 10.267 -3.396 -0.891 1.00 88.41 C +HETATM 136 OD1 HYP A 21 11.357 -1.303 -0.664 1.00 86.59 O +ATOM 137 N GLY A 22 10.466 -2.827 -5.541 1.00 90.44 N +ATOM 138 CA GLY A 22 10.449 -3.480 -6.815 1.00 88.76 C +ATOM 139 C GLY A 22 11.778 -4.179 -7.033 1.00 89.60 C +ATOM 140 O GLY A 22 12.718 -4.001 -6.262 1.00 89.20 O +ATOM 141 N PRO A 23 11.894 -4.956 -8.088 1.00 89.44 N +ATOM 142 CA PRO A 23 13.144 -5.642 -8.383 1.00 89.27 C +ATOM 143 C PRO A 23 14.158 -4.658 -8.946 1.00 87.90 C +ATOM 144 O PRO A 23 14.049 -4.231 -10.092 1.00 84.14 O +ATOM 145 CB PRO A 23 12.726 -6.699 -9.396 1.00 85.44 C +ATOM 146 CG PRO A 23 11.576 -6.081 -10.095 1.00 81.54 C +ATOM 147 CD PRO A 23 10.839 -5.305 -9.022 1.00 85.59 C +HETATM 148 N HYP A 24 15.034 -4.141 -8.142 1.00 88.55 N +HETATM 149 CA HYP A 24 15.770 -2.849 -8.243 1.00 83.84 C +HETATM 150 C HYP A 24 15.189 -1.686 -8.399 1.00 89.27 C +HETATM 151 O HYP A 24 15.680 -0.523 -8.099 1.00 85.21 O +HETATM 152 CB HYP A 24 17.086 -3.085 -7.718 1.00 83.61 C +HETATM 153 CG HYP A 24 17.312 -4.551 -7.903 1.00 83.15 C +HETATM 154 CD HYP A 24 15.896 -5.156 -7.882 1.00 86.84 C +HETATM 155 OD1 HYP A 24 18.072 -5.087 -6.866 1.00 84.91 O +HETATM 156 OXT HYP A 24 14.688 -1.513 -9.567 1.00 82.36 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_536.txt b/protein_pdb_536.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d04812916e5ae5715a4a87baa12bd5a3ec6a1d6 --- /dev/null +++ b/protein_pdb_536.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -29.076 8.355 -17.485 1.00 89.41 N +ATOM 2 CA GLY A 1 -27.891 8.059 -18.284 1.00 91.34 C +ATOM 3 C GLY A 1 -27.149 6.852 -17.762 1.00 92.33 C +ATOM 4 O GLY A 1 -27.509 6.311 -16.711 1.00 89.87 O +ATOM 5 N PRO A 2 -26.112 6.408 -18.443 1.00 93.81 N +ATOM 6 CA PRO A 2 -25.347 5.240 -18.001 1.00 94.69 C +ATOM 7 C PRO A 2 -24.516 5.559 -16.762 1.00 95.03 C +ATOM 8 O PRO A 2 -24.230 6.716 -16.476 1.00 93.18 O +ATOM 9 CB PRO A 2 -24.455 4.919 -19.197 1.00 92.62 C +ATOM 10 CG PRO A 2 -24.254 6.246 -19.847 1.00 90.19 C +ATOM 11 CD PRO A 2 -25.579 6.947 -19.695 1.00 92.07 C +HETATM 12 N HYP A 3 -24.188 4.549 -16.035 1.00 95.87 N +HETATM 13 CA HYP A 3 -23.297 4.692 -14.882 1.00 95.15 C +HETATM 14 C HYP A 3 -21.967 5.293 -15.269 1.00 96.75 C +HETATM 15 O HYP A 3 -21.484 5.061 -16.380 1.00 94.70 O +HETATM 16 CB HYP A 3 -23.155 3.285 -14.378 1.00 94.56 C +HETATM 17 CG HYP A 3 -24.355 2.543 -14.884 1.00 92.30 C +HETATM 18 CD HYP A 3 -24.598 3.187 -16.237 1.00 94.88 C +HETATM 19 OD1 HYP A 3 -25.465 2.713 -14.058 1.00 92.89 O +ATOM 20 N GLY A 4 -21.376 6.042 -14.355 1.00 95.90 N +ATOM 21 CA GLY A 4 -20.089 6.625 -14.612 1.00 95.45 C +ATOM 22 C GLY A 4 -19.000 5.555 -14.636 1.00 95.84 C +ATOM 23 O GLY A 4 -19.255 4.395 -14.287 1.00 95.51 O +ATOM 24 N PRO A 5 -17.784 5.929 -15.033 1.00 95.90 N +ATOM 25 CA PRO A 5 -16.690 4.963 -15.088 1.00 95.78 C +ATOM 26 C PRO A 5 -16.235 4.567 -13.687 1.00 96.01 C +ATOM 27 O PRO A 5 -16.465 5.289 -12.722 1.00 95.35 O +ATOM 28 CB PRO A 5 -15.598 5.702 -15.845 1.00 94.47 C +ATOM 29 CG PRO A 5 -15.855 7.132 -15.503 1.00 93.43 C +ATOM 30 CD PRO A 5 -17.358 7.256 -15.464 1.00 94.87 C +HETATM 31 N HYP A 6 -15.627 3.414 -13.573 1.00 96.09 N +HETATM 32 CA HYP A 6 -14.996 3.010 -12.313 1.00 95.45 C +HETATM 33 C HYP A 6 -13.961 3.957 -11.828 1.00 96.66 C +HETATM 34 O HYP A 6 -13.292 4.613 -12.633 1.00 94.75 O +HETATM 35 CB HYP A 6 -14.401 1.627 -12.627 1.00 93.50 C +HETATM 36 CG HYP A 6 -15.216 1.133 -13.777 1.00 90.49 C +HETATM 37 CD HYP A 6 -15.495 2.397 -14.540 1.00 93.36 C +HETATM 38 OD1 HYP A 6 -16.410 0.529 -13.337 1.00 90.67 O +ATOM 39 N GLY A 7 -13.837 4.101 -10.518 1.00 96.41 N +ATOM 40 CA GLY A 7 -12.857 4.993 -9.941 1.00 96.16 C +ATOM 41 C GLY A 7 -11.446 4.501 -10.208 1.00 96.52 C +ATOM 42 O GLY A 7 -11.241 3.390 -10.689 1.00 96.25 O +ATOM 43 N PRO A 8 -10.456 5.338 -9.875 1.00 96.22 N +ATOM 44 CA PRO A 8 -9.061 4.952 -10.089 1.00 95.96 C +ATOM 45 C PRO A 8 -8.632 3.862 -9.117 1.00 95.91 C +ATOM 46 O PRO A 8 -9.251 3.668 -8.073 1.00 94.95 O +ATOM 47 CB PRO A 8 -8.300 6.250 -9.854 1.00 94.94 C +ATOM 48 CG PRO A 8 -9.160 6.978 -8.879 1.00 94.29 C +ATOM 49 CD PRO A 8 -10.571 6.669 -9.301 1.00 95.60 C +HETATM 50 N HYP A 9 -7.597 3.174 -9.407 1.00 96.07 N +HETATM 51 CA HYP A 9 -7.012 2.162 -8.539 1.00 95.69 C +HETATM 52 C HYP A 9 -6.572 2.729 -7.255 1.00 96.25 C +HETATM 53 O HYP A 9 -6.191 3.890 -7.175 1.00 94.68 O +HETATM 54 CB HYP A 9 -5.805 1.627 -9.360 1.00 93.72 C +HETATM 55 CG HYP A 9 -6.256 1.819 -10.761 1.00 92.20 C +HETATM 56 CD HYP A 9 -6.986 3.130 -10.693 1.00 94.36 C +HETATM 57 OD1 HYP A 9 -7.158 0.790 -11.165 1.00 90.26 O +ATOM 58 N GLY A 10 -6.616 1.954 -6.187 1.00 95.66 N +ATOM 59 CA GLY A 10 -6.180 2.404 -4.888 1.00 94.93 C +ATOM 60 C GLY A 10 -4.684 2.668 -4.867 1.00 95.13 C +ATOM 61 O GLY A 10 -3.959 2.362 -5.818 1.00 94.19 O +ATOM 62 N ALA A 11 -4.224 3.234 -3.754 1.00 93.99 N +ATOM 63 CA ALA A 11 -2.809 3.535 -3.597 1.00 93.41 C +ATOM 64 C ALA A 11 -1.974 2.263 -3.610 1.00 93.53 C +ATOM 65 O ALA A 11 -2.436 1.189 -3.228 1.00 91.28 O +ATOM 66 CB ALA A 11 -2.587 4.288 -2.296 1.00 90.88 C +ATOM 67 N PHE A 12 -0.719 2.395 -4.039 1.00 94.68 N +ATOM 68 CA PHE A 12 0.209 1.267 -4.045 1.00 94.06 C +ATOM 69 C PHE A 12 0.357 0.768 -2.609 1.00 94.73 C +ATOM 70 O PHE A 12 0.387 1.571 -1.666 1.00 93.06 O +ATOM 71 CB PHE A 12 1.568 1.718 -4.600 1.00 91.64 C +ATOM 72 CG PHE A 12 2.430 0.588 -5.088 1.00 86.85 C +ATOM 73 CD1 PHE A 12 2.230 0.043 -6.346 1.00 83.61 C +ATOM 74 CD2 PHE A 12 3.446 0.073 -4.308 1.00 81.21 C +ATOM 75 CE1 PHE A 12 3.013 -1.001 -6.806 1.00 78.69 C +ATOM 76 CE2 PHE A 12 4.242 -0.981 -4.758 1.00 79.04 C +ATOM 77 CZ PHE A 12 4.034 -1.519 -6.018 1.00 79.35 C +ATOM 78 N GLY A 13 0.409 -0.549 -2.451 1.00 94.86 N +ATOM 79 CA GLY A 13 0.494 -1.132 -1.120 1.00 94.41 C +ATOM 80 C GLY A 13 1.748 -0.735 -0.359 1.00 95.14 C +ATOM 81 O GLY A 13 2.704 -0.217 -0.936 1.00 94.76 O +ATOM 82 N PRO A 14 1.765 -0.982 0.960 1.00 94.33 N +ATOM 83 CA PRO A 14 2.929 -0.622 1.768 1.00 94.37 C +ATOM 84 C PRO A 14 4.119 -1.521 1.453 1.00 94.71 C +ATOM 85 O PRO A 14 3.954 -2.623 0.934 1.00 94.03 O +ATOM 86 CB PRO A 14 2.436 -0.825 3.208 1.00 93.04 C +ATOM 87 CG PRO A 14 1.406 -1.894 3.074 1.00 92.26 C +ATOM 88 CD PRO A 14 0.704 -1.581 1.777 1.00 93.22 C +HETATM 89 N HYP A 15 5.300 -1.081 1.780 1.00 94.07 N +HETATM 90 CA HYP A 15 6.516 -1.884 1.622 1.00 94.96 C +HETATM 91 C HYP A 15 6.459 -3.172 2.391 1.00 96.68 C +HETATM 92 O HYP A 15 5.805 -3.238 3.439 1.00 92.92 O +HETATM 93 CB HYP A 15 7.586 -0.952 2.147 1.00 94.89 C +HETATM 94 CG HYP A 15 7.023 0.416 1.876 1.00 91.01 C +HETATM 95 CD HYP A 15 5.570 0.248 2.160 1.00 92.33 C +HETATM 96 OD1 HYP A 15 7.217 0.813 0.540 1.00 91.89 O +ATOM 97 N GLY A 16 7.084 -4.169 1.898 1.00 96.03 N +ATOM 98 CA GLY A 16 7.146 -5.427 2.601 1.00 95.35 C +ATOM 99 C GLY A 16 8.013 -5.292 3.845 1.00 95.64 C +ATOM 100 O GLY A 16 8.636 -4.256 4.080 1.00 95.30 O +ATOM 101 N PRO A 17 8.057 -6.356 4.666 1.00 95.21 N +ATOM 102 CA PRO A 17 8.857 -6.303 5.886 1.00 94.85 C +ATOM 103 C PRO A 17 10.343 -6.270 5.576 1.00 94.83 C +ATOM 104 O PRO A 17 10.778 -6.681 4.510 1.00 93.87 O +ATOM 105 CB PRO A 17 8.457 -7.578 6.624 1.00 93.30 C +ATOM 106 CG PRO A 17 8.075 -8.505 5.519 1.00 92.61 C +ATOM 107 CD PRO A 17 7.370 -7.632 4.511 1.00 94.29 C +HETATM 108 N HYP A 18 11.145 -5.793 6.493 1.00 95.89 N +HETATM 109 CA HYP A 18 12.582 -5.810 6.382 1.00 95.46 C +HETATM 110 C HYP A 18 13.140 -7.176 6.178 1.00 96.07 C +HETATM 111 O HYP A 18 12.576 -8.168 6.691 1.00 94.06 O +HETATM 112 CB HYP A 18 13.040 -5.186 7.680 1.00 94.45 C +HETATM 113 CG HYP A 18 11.891 -4.328 8.139 1.00 91.98 C +HETATM 114 CD HYP A 18 10.707 -5.121 7.679 1.00 94.31 C +HETATM 115 OD1 HYP A 18 11.903 -3.070 7.507 1.00 91.54 O +ATOM 116 N GLY A 19 14.212 -7.284 5.431 1.00 94.64 N +ATOM 117 CA GLY A 19 14.858 -8.553 5.225 1.00 93.97 C +ATOM 118 C GLY A 19 15.514 -9.024 6.513 1.00 94.34 C +ATOM 119 O GLY A 19 15.559 -8.297 7.509 1.00 93.82 O +ATOM 120 N PRO A 20 16.043 -10.248 6.512 1.00 94.50 N +ATOM 121 CA PRO A 20 16.679 -10.780 7.711 1.00 94.07 C +ATOM 122 C PRO A 20 17.998 -10.073 8.001 1.00 94.14 C +ATOM 123 O PRO A 20 18.594 -9.460 7.124 1.00 92.52 O +ATOM 124 CB PRO A 20 16.886 -12.253 7.365 1.00 92.36 C +ATOM 125 CG PRO A 20 17.024 -12.241 5.883 1.00 91.17 C +ATOM 126 CD PRO A 20 16.045 -11.196 5.409 1.00 93.58 C +HETATM 127 N HYP A 21 18.488 -10.167 9.223 1.00 94.66 N +HETATM 128 CA HYP A 21 19.744 -9.581 9.623 1.00 93.59 C +HETATM 129 C HYP A 21 20.914 -10.146 8.862 1.00 95.45 C +HETATM 130 O HYP A 21 20.884 -11.324 8.489 1.00 93.83 O +HETATM 131 CB HYP A 21 19.857 -9.946 11.115 1.00 92.71 C +HETATM 132 CG HYP A 21 18.411 -10.106 11.592 1.00 91.23 C +HETATM 133 CD HYP A 21 17.740 -10.700 10.377 1.00 92.86 C +HETATM 134 OD1 HYP A 21 17.819 -8.848 11.890 1.00 90.09 O +ATOM 135 N GLY A 22 21.902 -9.325 8.573 1.00 91.04 N +ATOM 136 CA GLY A 22 23.077 -9.781 7.881 1.00 90.05 C +ATOM 137 C GLY A 22 23.863 -10.748 8.755 1.00 90.64 C +ATOM 138 O GLY A 22 23.542 -10.941 9.930 1.00 89.26 O +ATOM 139 N PRO A 23 24.940 -11.354 8.223 1.00 91.10 N +ATOM 140 CA PRO A 23 25.726 -12.301 9.003 1.00 91.55 C +ATOM 141 C PRO A 23 26.508 -11.587 10.092 1.00 91.30 C +ATOM 142 O PRO A 23 26.814 -10.404 9.980 1.00 87.68 O +ATOM 143 CB PRO A 23 26.645 -12.939 7.964 1.00 87.88 C +ATOM 144 CG PRO A 23 26.807 -11.866 6.950 1.00 85.08 C +ATOM 145 CD PRO A 23 25.450 -11.200 6.869 1.00 88.38 C +HETATM 146 N HYP A 24 26.916 -12.285 11.142 1.00 92.17 N +HETATM 147 CA HYP A 24 27.711 -11.623 12.169 1.00 88.63 C +HETATM 148 C HYP A 24 29.098 -11.408 11.628 1.00 86.25 C +HETATM 149 O HYP A 24 29.433 -10.257 11.522 1.00 86.02 O +HETATM 150 CB HYP A 24 27.788 -12.633 13.350 1.00 89.32 C +HETATM 151 CG HYP A 24 26.673 -13.604 13.135 1.00 87.65 C +HETATM 152 CD HYP A 24 26.404 -13.554 11.623 1.00 90.78 C +HETATM 153 OD1 HYP A 24 25.513 -13.115 13.817 1.00 83.04 O +HETATM 154 OXT HYP A 24 29.785 -12.420 11.276 1.00 83.30 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_537.txt b/protein_pdb_537.txt new file mode 100644 index 0000000000000000000000000000000000000000..47ccea923163e1476b757b414fdbde2b3163109e --- /dev/null +++ b/protein_pdb_537.txt @@ -0,0 +1,197 @@ +ATOM 1 N GLY A 1 -12.296 29.933 -37.303 1.00 95.41 N +ATOM 2 CA GLY A 1 -13.095 28.705 -37.278 1.00 95.93 C +ATOM 3 C GLY A 1 -13.441 28.287 -35.867 1.00 96.31 C +ATOM 4 O GLY A 1 -12.884 28.817 -34.908 1.00 95.37 O +ATOM 5 N PRO A 2 -14.357 27.330 -35.713 1.00 98.15 N +ATOM 6 CA PRO A 2 -14.740 26.880 -34.372 1.00 98.22 C +ATOM 7 C PRO A 2 -13.616 26.093 -33.701 1.00 98.49 C +ATOM 8 O PRO A 2 -12.760 25.508 -34.364 1.00 97.87 O +ATOM 9 CB PRO A 2 -15.965 25.998 -34.636 1.00 97.12 C +ATOM 10 CG PRO A 2 -15.744 25.478 -36.011 1.00 94.91 C +ATOM 11 CD PRO A 2 -15.098 26.620 -36.758 1.00 96.42 C +ATOM 12 N ALA A 3 -13.639 26.073 -32.379 1.00 97.88 N +ATOM 13 CA ALA A 3 -12.641 25.333 -31.609 1.00 97.93 C +ATOM 14 C ALA A 3 -12.804 23.835 -31.837 1.00 97.97 C +ATOM 15 O ALA A 3 -13.912 23.337 -32.062 1.00 96.80 O +ATOM 16 CB ALA A 3 -12.769 25.662 -30.127 1.00 96.52 C +ATOM 17 N GLY A 4 -11.696 23.114 -31.782 1.00 98.46 N +ATOM 18 CA GLY A 4 -11.738 21.674 -31.962 1.00 98.36 C +ATOM 19 C GLY A 4 -12.351 20.965 -30.764 1.00 98.54 C +ATOM 20 O GLY A 4 -12.575 21.569 -29.715 1.00 98.58 O +ATOM 21 N PRO A 5 -12.605 19.645 -30.900 1.00 98.45 N +ATOM 22 CA PRO A 5 -13.196 18.880 -29.806 1.00 98.42 C +ATOM 23 C PRO A 5 -12.206 18.662 -28.672 1.00 98.65 C +ATOM 24 O PRO A 5 -10.986 18.738 -28.855 1.00 98.42 O +ATOM 25 CB PRO A 5 -13.592 17.554 -30.468 1.00 97.72 C +ATOM 26 CG PRO A 5 -12.594 17.404 -31.564 1.00 96.23 C +ATOM 27 CD PRO A 5 -12.376 18.806 -32.089 1.00 97.80 C +ATOM 28 N ALA A 6 -12.735 18.372 -27.481 1.00 98.28 N +ATOM 29 CA ALA A 6 -11.900 18.091 -26.330 1.00 98.24 C +ATOM 30 C ALA A 6 -11.131 16.789 -26.538 1.00 98.39 C +ATOM 31 O ALA A 6 -11.592 15.879 -27.241 1.00 97.72 O +ATOM 32 CB ALA A 6 -12.751 18.001 -25.061 1.00 97.33 C +ATOM 33 N GLY A 7 -9.952 16.698 -25.940 1.00 98.58 N +ATOM 34 CA GLY A 7 -9.145 15.493 -26.061 1.00 98.47 C +ATOM 35 C GLY A 7 -9.736 14.328 -25.293 1.00 98.62 C +ATOM 36 O GLY A 7 -10.690 14.486 -24.527 1.00 98.66 O +ATOM 37 N PRO A 8 -9.157 13.125 -25.472 1.00 98.78 N +ATOM 38 CA PRO A 8 -9.663 11.941 -24.782 1.00 98.73 C +ATOM 39 C PRO A 8 -9.350 11.980 -23.289 1.00 98.71 C +ATOM 40 O PRO A 8 -8.469 12.709 -22.831 1.00 98.59 O +ATOM 41 CB PRO A 8 -8.933 10.788 -25.471 1.00 98.27 C +ATOM 42 CG PRO A 8 -7.647 11.405 -25.911 1.00 96.95 C +ATOM 43 CD PRO A 8 -8.016 12.809 -26.337 1.00 98.27 C +ATOM 44 N VAL A 9 -10.095 11.160 -22.524 1.00 98.63 N +ATOM 45 CA VAL A 9 -9.873 11.048 -21.089 1.00 98.50 C +ATOM 46 C VAL A 9 -8.497 10.432 -20.852 1.00 98.54 C +ATOM 47 O VAL A 9 -8.085 9.510 -21.560 1.00 98.31 O +ATOM 48 CB VAL A 9 -10.977 10.196 -20.430 1.00 97.92 C +ATOM 49 CG1 VAL A 9 -10.722 10.034 -18.944 1.00 93.05 C +ATOM 50 CG2 VAL A 9 -12.344 10.842 -20.659 1.00 93.13 C +ATOM 51 N GLY A 10 -7.788 10.941 -19.846 1.00 98.55 N +ATOM 52 CA GLY A 10 -6.463 10.430 -19.539 1.00 98.52 C +ATOM 53 C GLY A 10 -6.500 9.031 -18.949 1.00 98.64 C +ATOM 54 O GLY A 10 -7.559 8.508 -18.596 1.00 98.68 O +ATOM 55 N PRO A 11 -5.321 8.398 -18.817 1.00 98.66 N +ATOM 56 CA PRO A 11 -5.254 7.041 -18.264 1.00 98.64 C +ATOM 57 C PRO A 11 -5.567 7.019 -16.776 1.00 98.75 C +ATOM 58 O PRO A 11 -5.482 8.038 -16.086 1.00 98.52 O +ATOM 59 CB PRO A 11 -3.808 6.619 -18.542 1.00 98.18 C +ATOM 60 CG PRO A 11 -3.058 7.908 -18.525 1.00 97.22 C +ATOM 61 CD PRO A 11 -3.993 8.905 -19.170 1.00 98.25 C +ATOM 62 N ALA A 12 -5.907 5.825 -16.275 1.00 98.56 N +ATOM 63 CA ALA A 12 -6.191 5.655 -14.860 1.00 98.44 C +ATOM 64 C ALA A 12 -4.929 5.907 -14.043 1.00 98.55 C +ATOM 65 O ALA A 12 -3.806 5.691 -14.506 1.00 97.87 O +ATOM 66 CB ALA A 12 -6.720 4.255 -14.592 1.00 97.77 C +ATOM 67 N GLY A 13 -5.116 6.371 -12.810 1.00 98.49 N +ATOM 68 CA GLY A 13 -4.001 6.632 -11.927 1.00 98.30 C +ATOM 69 C GLY A 13 -3.279 5.367 -11.516 1.00 98.46 C +ATOM 70 O GLY A 13 -3.811 4.257 -11.630 1.00 98.46 O +ATOM 71 N ALA A 14 -2.051 5.535 -11.041 1.00 98.52 N +ATOM 72 CA ALA A 14 -1.240 4.405 -10.602 1.00 98.53 C +ATOM 73 C ALA A 14 -1.813 3.786 -9.334 1.00 98.57 C +ATOM 74 O ALA A 14 -2.477 4.447 -8.531 1.00 97.92 O +ATOM 75 CB ALA A 14 0.198 4.855 -10.359 1.00 97.87 C +ATOM 76 N ARG A 15 -1.533 2.488 -9.128 1.00 98.67 N +ATOM 77 CA ARG A 15 -1.963 1.791 -7.926 1.00 98.55 C +ATOM 78 C ARG A 15 -1.268 2.395 -6.712 1.00 98.54 C +ATOM 79 O ARG A 15 -0.102 2.786 -6.784 1.00 98.05 O +ATOM 80 CB ARG A 15 -1.642 0.296 -8.039 1.00 97.77 C +ATOM 81 CG ARG A 15 -2.134 -0.526 -6.862 1.00 95.32 C +ATOM 82 CD ARG A 15 -1.758 -1.984 -7.026 1.00 92.48 C +ATOM 83 NE ARG A 15 -2.267 -2.797 -5.928 1.00 87.25 N +ATOM 84 CZ ARG A 15 -2.048 -4.089 -5.788 1.00 83.48 C +ATOM 85 NH1 ARG A 15 -1.315 -4.743 -6.686 1.00 81.10 N +ATOM 86 NH2 ARG A 15 -2.550 -4.747 -4.757 1.00 80.24 N +ATOM 87 N GLY A 16 -1.982 2.468 -5.607 1.00 98.44 N +ATOM 88 CA GLY A 16 -1.422 3.011 -4.388 1.00 98.21 C +ATOM 89 C GLY A 16 -0.286 2.155 -3.851 1.00 98.32 C +ATOM 90 O GLY A 16 -0.125 0.996 -4.243 1.00 98.33 O +ATOM 91 N PRO A 17 0.520 2.715 -2.927 1.00 98.37 N +ATOM 92 CA PRO A 17 1.651 1.974 -2.361 1.00 98.21 C +ATOM 93 C PRO A 17 1.191 0.859 -1.427 1.00 98.48 C +ATOM 94 O PRO A 17 0.080 0.866 -0.913 1.00 98.13 O +ATOM 95 CB PRO A 17 2.437 3.042 -1.602 1.00 97.42 C +ATOM 96 CG PRO A 17 1.391 4.020 -1.199 1.00 96.17 C +ATOM 97 CD PRO A 17 0.429 4.072 -2.362 1.00 97.62 C +ATOM 98 N ALA A 18 2.089 -0.110 -1.227 1.00 98.18 N +ATOM 99 CA ALA A 18 1.806 -1.199 -0.304 1.00 98.11 C +ATOM 100 C ALA A 18 1.715 -0.664 1.116 1.00 98.27 C +ATOM 101 O ALA A 18 2.316 0.354 1.453 1.00 97.51 O +ATOM 102 CB ALA A 18 2.901 -2.266 -0.394 1.00 96.99 C +ATOM 103 N GLY A 19 0.948 -1.362 1.956 1.00 98.38 N +ATOM 104 CA GLY A 19 0.796 -0.955 3.338 1.00 98.28 C +ATOM 105 C GLY A 19 2.077 -1.144 4.130 1.00 98.34 C +ATOM 106 O GLY A 19 3.029 -1.775 3.660 1.00 98.34 O +ATOM 107 N PRO A 20 2.127 -0.592 5.356 1.00 98.32 N +ATOM 108 CA PRO A 20 3.316 -0.693 6.192 1.00 98.35 C +ATOM 109 C PRO A 20 3.529 -2.111 6.706 1.00 98.42 C +ATOM 110 O PRO A 20 2.607 -2.919 6.741 1.00 98.27 O +ATOM 111 CB PRO A 20 3.029 0.273 7.340 1.00 97.48 C +ATOM 112 CG PRO A 20 1.549 0.271 7.431 1.00 96.01 C +ATOM 113 CD PRO A 20 1.062 0.169 6.012 1.00 97.61 C +HETATM 114 N HYP A 21 4.746 -2.402 7.158 1.00 98.25 N +HETATM 115 CA HYP A 21 5.095 -3.662 7.732 1.00 97.98 C +HETATM 116 C HYP A 21 4.285 -3.915 9.000 1.00 98.45 C +HETATM 117 O HYP A 21 3.909 -2.951 9.699 1.00 97.63 O +HETATM 118 CB HYP A 21 6.576 -3.483 8.081 1.00 97.36 C +HETATM 119 CG HYP A 21 7.065 -2.462 7.106 1.00 96.69 C +HETATM 120 CD HYP A 21 5.930 -1.543 6.963 1.00 97.51 C +HETATM 121 OD1 HYP A 21 7.399 -3.028 5.870 1.00 95.96 O +ATOM 122 N GLY A 22 4.017 -5.158 9.282 1.00 98.10 N +ATOM 123 CA GLY A 22 3.316 -5.490 10.496 1.00 97.95 C +ATOM 124 C GLY A 22 4.175 -5.220 11.717 1.00 98.13 C +ATOM 125 O GLY A 22 5.372 -4.932 11.606 1.00 97.97 O +ATOM 126 N PRO A 23 3.585 -5.327 12.922 1.00 98.14 N +ATOM 127 CA PRO A 23 4.329 -5.070 14.154 1.00 98.07 C +ATOM 128 C PRO A 23 5.377 -6.146 14.409 1.00 98.13 C +ATOM 129 O PRO A 23 5.274 -7.261 13.904 1.00 97.86 O +ATOM 130 CB PRO A 23 3.246 -5.079 15.226 1.00 97.03 C +ATOM 131 CG PRO A 23 2.191 -5.953 14.659 1.00 95.68 C +ATOM 132 CD PRO A 23 2.193 -5.673 13.180 1.00 97.30 C +HETATM 133 N HYP A 24 6.375 -5.832 15.230 1.00 97.96 N +HETATM 134 CA HYP A 24 7.396 -6.767 15.610 1.00 97.29 C +HETATM 135 C HYP A 24 6.799 -7.974 16.359 1.00 98.08 C +HETATM 136 O HYP A 24 5.794 -7.828 17.049 1.00 96.76 O +HETATM 137 CB HYP A 24 8.266 -5.918 16.601 1.00 96.32 C +HETATM 138 CG HYP A 24 8.087 -4.502 16.156 1.00 95.38 C +HETATM 139 CD HYP A 24 6.633 -4.470 15.726 1.00 96.78 C +HETATM 140 OD1 HYP A 24 8.901 -4.176 15.061 1.00 93.85 O +ATOM 141 N GLY A 25 7.414 -9.117 16.176 1.00 97.20 N +ATOM 142 CA GLY A 25 6.963 -10.301 16.860 1.00 97.05 C +ATOM 143 C GLY A 25 7.216 -10.193 18.354 1.00 97.34 C +ATOM 144 O GLY A 25 7.897 -9.279 18.821 1.00 97.20 O +ATOM 145 N PRO A 26 6.691 -11.153 19.142 1.00 97.20 N +ATOM 146 CA PRO A 26 6.871 -11.126 20.588 1.00 97.09 C +ATOM 147 C PRO A 26 8.314 -11.399 20.978 1.00 97.34 C +ATOM 148 O PRO A 26 9.066 -12.009 20.225 1.00 96.78 O +ATOM 149 CB PRO A 26 5.937 -12.226 21.079 1.00 95.67 C +ATOM 150 CG PRO A 26 5.856 -13.158 19.925 1.00 94.37 C +ATOM 151 CD PRO A 26 5.891 -12.288 18.705 1.00 96.45 C +HETATM 152 N HYP A 27 8.703 -10.980 22.193 1.00 97.38 N +HETATM 153 CA HYP A 27 10.037 -11.207 22.681 1.00 95.99 C +HETATM 154 C HYP A 27 10.324 -12.701 22.861 1.00 97.35 C +HETATM 155 O HYP A 27 9.431 -13.485 23.134 1.00 96.08 O +HETATM 156 CB HYP A 27 9.945 -10.562 24.138 1.00 95.03 C +HETATM 157 CG HYP A 27 8.837 -9.526 24.061 1.00 93.22 C +HETATM 158 CD HYP A 27 7.851 -10.154 23.092 1.00 95.48 C +HETATM 159 OD1 HYP A 27 9.297 -8.299 23.524 1.00 91.44 O +ATOM 160 N GLY A 28 11.569 -13.065 22.676 1.00 94.90 N +ATOM 161 CA GLY A 28 11.953 -14.435 22.895 1.00 94.37 C +ATOM 162 C GLY A 28 11.874 -14.788 24.364 1.00 95.03 C +ATOM 163 O GLY A 28 11.695 -13.916 25.219 1.00 95.25 O +ATOM 164 N PRO A 29 12.041 -16.083 24.709 1.00 95.73 N +ATOM 165 CA PRO A 29 11.975 -16.504 26.108 1.00 95.45 C +ATOM 166 C PRO A 29 13.163 -15.971 26.893 1.00 95.64 C +ATOM 167 O PRO A 29 14.228 -15.712 26.334 1.00 94.34 O +ATOM 168 CB PRO A 29 11.994 -18.029 26.019 1.00 93.15 C +ATOM 169 CG PRO A 29 12.687 -18.299 24.736 1.00 92.31 C +ATOM 170 CD PRO A 29 12.270 -17.200 23.803 1.00 94.83 C +HETATM 171 N HYP A 30 13.016 -15.843 28.255 1.00 96.66 N +HETATM 172 CA HYP A 30 14.079 -15.370 29.058 1.00 93.76 C +HETATM 173 C HYP A 30 15.215 -16.358 29.087 1.00 96.15 C +HETATM 174 O HYP A 30 14.983 -17.544 29.067 1.00 94.49 O +HETATM 175 CB HYP A 30 13.416 -15.354 30.522 1.00 94.02 C +HETATM 176 CG HYP A 30 11.935 -15.213 30.266 1.00 93.13 C +HETATM 177 CD HYP A 30 11.729 -15.967 28.953 1.00 94.52 C +HETATM 178 OD1 HYP A 30 11.581 -13.859 30.084 1.00 89.34 O +ATOM 179 N GLY A 31 16.487 -15.816 29.075 1.00 91.40 N +ATOM 180 CA GLY A 31 17.653 -16.669 29.073 1.00 88.25 C +ATOM 181 C GLY A 31 17.896 -17.304 30.431 1.00 84.72 C +ATOM 182 O GLY A 31 17.346 -16.876 31.446 1.00 79.75 O +ATOM 183 N TYR A 32 18.731 -18.349 30.450 1.00 93.29 N +ATOM 184 CA TYR A 32 19.128 -19.029 31.678 1.00 89.70 C +ATOM 185 C TYR A 32 20.653 -18.927 31.844 1.00 83.92 C +ATOM 186 O TYR A 32 21.339 -18.562 30.894 1.00 79.04 O +ATOM 187 CB TYR A 32 18.762 -20.510 31.666 1.00 84.25 C +ATOM 188 CG TYR A 32 17.433 -20.852 31.045 1.00 80.74 C +ATOM 189 CD1 TYR A 32 16.252 -20.559 31.697 1.00 81.19 C +ATOM 190 CD2 TYR A 32 17.378 -21.500 29.819 1.00 77.96 C +ATOM 191 CE1 TYR A 32 15.030 -20.895 31.135 1.00 77.86 C +ATOM 192 CE2 TYR A 32 16.166 -21.838 29.253 1.00 79.97 C +ATOM 193 CZ TYR A 32 14.995 -21.541 29.910 1.00 75.49 C +ATOM 194 OH TYR A 32 13.797 -21.883 29.348 1.00 75.16 O +ATOM 195 OXT TYR A 32 21.173 -19.323 32.892 1.00 72.38 O +TER 196 TYR A 32 +END diff --git a/protein_pdb_538.txt b/protein_pdb_538.txt new file mode 100644 index 0000000000000000000000000000000000000000..f4deebcac147ad39dc7da2729e0d673e0fd5919f --- /dev/null +++ b/protein_pdb_538.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 6.190 -9.836 -8.444 1.00 81.24 N +ATOM 2 CA GLY A 1 5.775 -8.598 -9.083 1.00 83.30 C +ATOM 3 C GLY A 1 6.163 -7.402 -8.256 1.00 85.30 C +ATOM 4 O GLY A 1 6.728 -7.549 -7.172 1.00 82.41 O +ATOM 5 N PRO A 2 5.851 -6.207 -8.730 1.00 83.91 N +ATOM 6 CA PRO A 2 6.216 -4.996 -8.018 1.00 85.77 C +ATOM 7 C PRO A 2 5.397 -4.803 -6.754 1.00 86.21 C +ATOM 8 O PRO A 2 4.349 -5.408 -6.571 1.00 84.01 O +ATOM 9 CB PRO A 2 5.924 -3.889 -9.030 1.00 82.58 C +ATOM 10 CG PRO A 2 4.858 -4.453 -9.887 1.00 78.49 C +ATOM 11 CD PRO A 2 5.155 -5.922 -9.989 1.00 79.28 C +HETATM 12 N HYP A 3 5.919 -3.989 -5.925 1.00 85.37 N +HETATM 13 CA HYP A 3 5.177 -3.612 -4.707 1.00 86.85 C +HETATM 14 C HYP A 3 3.858 -2.996 -5.031 1.00 88.17 C +HETATM 15 O HYP A 3 3.706 -2.354 -6.096 1.00 89.27 O +HETATM 16 CB HYP A 3 6.141 -2.616 -4.027 1.00 86.38 C +HETATM 17 CG HYP A 3 7.516 -3.046 -4.500 1.00 81.11 C +HETATM 18 CD HYP A 3 7.246 -3.416 -5.970 1.00 85.35 C +HETATM 19 OD1 HYP A 3 7.900 -4.193 -3.792 1.00 85.45 O +ATOM 20 N GLY A 4 2.895 -3.250 -4.194 1.00 90.84 N +ATOM 21 CA GLY A 4 1.597 -2.669 -4.378 1.00 90.25 C +ATOM 22 C GLY A 4 1.632 -1.167 -4.196 1.00 91.12 C +ATOM 23 O GLY A 4 2.639 -0.595 -3.767 1.00 91.31 O +ATOM 24 N PRO A 5 0.534 -0.517 -4.524 1.00 89.41 N +ATOM 25 CA PRO A 5 0.469 0.928 -4.384 1.00 89.57 C +ATOM 26 C PRO A 5 0.398 1.344 -2.926 1.00 89.60 C +ATOM 27 O PRO A 5 0.094 0.546 -2.050 1.00 87.97 O +ATOM 28 CB PRO A 5 -0.812 1.289 -5.130 1.00 87.86 C +ATOM 29 CG PRO A 5 -1.661 0.081 -4.989 1.00 85.67 C +ATOM 30 CD PRO A 5 -0.714 -1.083 -5.037 1.00 87.73 C +HETATM 31 N HYP A 6 0.693 2.621 -2.699 1.00 88.07 N +HETATM 32 CA HYP A 6 0.556 3.146 -1.362 1.00 93.45 C +HETATM 33 C HYP A 6 -0.835 3.033 -0.839 1.00 90.09 C +HETATM 34 O HYP A 6 -1.795 3.121 -1.633 1.00 91.08 O +HETATM 35 CB HYP A 6 0.980 4.620 -1.542 1.00 86.13 C +HETATM 36 CG HYP A 6 1.889 4.602 -2.739 1.00 85.69 C +HETATM 37 CD HYP A 6 1.210 3.589 -3.650 1.00 88.94 C +HETATM 38 OD1 HYP A 6 3.155 4.096 -2.361 1.00 86.19 O +ATOM 39 N GLY A 7 -0.968 2.794 0.430 1.00 91.81 N +ATOM 40 CA GLY A 7 -2.262 2.720 1.048 1.00 91.56 C +ATOM 41 C GLY A 7 -2.977 4.051 1.004 1.00 92.10 C +ATOM 42 O GLY A 7 -2.407 5.077 0.611 1.00 92.11 O +ATOM 43 N PRO A 8 -4.228 4.048 1.402 1.00 89.50 N +ATOM 44 CA PRO A 8 -4.999 5.278 1.376 1.00 89.76 C +ATOM 45 C PRO A 8 -4.556 6.238 2.465 1.00 89.81 C +ATOM 46 O PRO A 8 -3.974 5.853 3.466 1.00 88.09 O +ATOM 47 CB PRO A 8 -6.428 4.801 1.623 1.00 87.42 C +ATOM 48 CG PRO A 8 -6.260 3.560 2.419 1.00 86.07 C +ATOM 49 CD PRO A 8 -5.005 2.912 1.897 1.00 88.14 C +HETATM 50 N HYP A 9 -4.839 7.490 2.235 1.00 87.38 N +HETATM 51 CA HYP A 9 -4.558 8.483 3.223 1.00 90.89 C +HETATM 52 C HYP A 9 -5.397 8.270 4.435 1.00 90.39 C +HETATM 53 O HYP A 9 -6.537 7.774 4.358 1.00 89.67 O +HETATM 54 CB HYP A 9 -4.989 9.795 2.518 1.00 85.65 C +HETATM 55 CG HYP A 9 -4.945 9.518 1.067 1.00 82.69 C +HETATM 56 CD HYP A 9 -5.337 8.096 0.966 1.00 86.17 C +HETATM 57 OD1 HYP A 9 -3.608 9.653 0.616 1.00 84.36 O +ATOM 58 N GLY A 10 -4.911 8.593 5.579 1.00 89.60 N +ATOM 59 CA GLY A 10 -5.748 8.702 6.748 1.00 87.05 C +ATOM 60 C GLY A 10 -6.655 9.903 6.598 1.00 87.56 C +ATOM 61 O GLY A 10 -6.611 10.622 5.600 1.00 85.89 O +ATOM 62 N THR A 11 -7.476 10.134 7.600 1.00 89.46 N +ATOM 63 CA THR A 11 -8.389 11.265 7.525 1.00 90.58 C +ATOM 64 C THR A 11 -7.642 12.557 7.206 1.00 90.74 C +ATOM 65 O THR A 11 -8.081 13.354 6.374 1.00 88.65 O +ATOM 66 CB THR A 11 -9.169 11.409 8.832 1.00 88.77 C +ATOM 67 OG1 THR A 11 -9.821 10.176 9.119 1.00 84.18 O +ATOM 68 CG2 THR A 11 -10.208 12.510 8.721 1.00 81.57 C +ATOM 69 N ASN A 12 -6.513 12.741 7.865 1.00 90.44 N +ATOM 70 CA ASN A 12 -5.639 13.882 7.616 1.00 91.48 C +ATOM 71 C ASN A 12 -4.186 13.433 7.684 1.00 91.44 C +ATOM 72 O ASN A 12 -3.354 14.101 8.290 1.00 87.44 O +ATOM 73 CB ASN A 12 -5.903 14.999 8.634 1.00 89.62 C +ATOM 74 CG ASN A 12 -7.252 15.647 8.432 1.00 83.12 C +ATOM 75 OD1 ASN A 12 -8.197 15.379 9.162 1.00 79.75 O +ATOM 76 ND2 ASN A 12 -7.343 16.510 7.441 1.00 75.96 N +ATOM 77 N GLY A 13 -3.890 12.313 7.065 1.00 92.32 N +ATOM 78 CA GLY A 13 -2.574 11.724 7.201 1.00 91.40 C +ATOM 79 C GLY A 13 -2.019 11.226 5.892 1.00 92.01 C +ATOM 80 O GLY A 13 -2.681 11.263 4.858 1.00 91.70 O +ATOM 81 N PRO A 14 -0.783 10.781 5.937 1.00 91.53 N +ATOM 82 CA PRO A 14 -0.110 10.317 4.737 1.00 91.07 C +ATOM 83 C PRO A 14 -0.654 8.979 4.259 1.00 91.62 C +ATOM 84 O PRO A 14 -1.327 8.266 4.992 1.00 90.14 O +ATOM 85 CB PRO A 14 1.345 10.185 5.180 1.00 89.30 C +ATOM 86 CG PRO A 14 1.250 9.874 6.626 1.00 88.65 C +ATOM 87 CD PRO A 14 0.076 10.658 7.122 1.00 89.43 C +HETATM 88 N HYP A 15 -0.307 8.700 3.045 1.00 91.08 N +HETATM 89 CA HYP A 15 -0.621 7.393 2.488 1.00 92.35 C +HETATM 90 C HYP A 15 0.037 6.293 3.247 1.00 93.95 C +HETATM 91 O HYP A 15 1.108 6.512 3.861 1.00 92.00 O +HETATM 92 CB HYP A 15 -0.077 7.528 1.050 1.00 87.89 C +HETATM 93 CG HYP A 15 -0.111 9.012 0.760 1.00 83.28 C +HETATM 94 CD HYP A 15 0.273 9.615 2.074 1.00 89.72 C +HETATM 95 OD1 HYP A 15 -1.412 9.390 0.414 1.00 87.05 O +ATOM 96 N GLY A 16 -0.586 5.170 3.265 1.00 93.94 N +ATOM 97 CA GLY A 16 0.009 4.019 3.871 1.00 93.59 C +ATOM 98 C GLY A 16 1.199 3.530 3.075 1.00 94.13 C +ATOM 99 O GLY A 16 1.495 4.035 1.991 1.00 93.86 O +ATOM 100 N PRO A 17 1.885 2.532 3.615 1.00 92.22 N +ATOM 101 CA PRO A 17 3.051 1.996 2.929 1.00 91.86 C +ATOM 102 C PRO A 17 2.651 1.203 1.695 1.00 92.52 C +ATOM 103 O PRO A 17 1.505 0.788 1.553 1.00 91.15 O +ATOM 104 CB PRO A 17 3.697 1.106 3.984 1.00 90.29 C +ATOM 105 CG PRO A 17 2.568 0.690 4.847 1.00 88.95 C +ATOM 106 CD PRO A 17 1.629 1.860 4.882 1.00 90.31 C +HETATM 107 N HYP A 18 3.622 1.008 0.801 1.00 87.75 N +HETATM 108 CA HYP A 18 3.393 0.166 -0.317 1.00 86.97 C +HETATM 109 C HYP A 18 3.004 -1.224 0.064 1.00 89.35 C +HETATM 110 O HYP A 18 3.423 -1.718 1.132 1.00 89.60 O +HETATM 111 CB HYP A 18 4.747 0.179 -1.043 1.00 85.26 C +HETATM 112 CG HYP A 18 5.365 1.506 -0.638 1.00 83.88 C +HETATM 113 CD HYP A 18 4.921 1.629 0.799 1.00 88.37 C +HETATM 114 OD1 HYP A 18 4.789 2.545 -1.407 1.00 86.83 O +ATOM 115 N GLY A 19 2.192 -1.829 -0.735 1.00 89.82 N +ATOM 116 CA GLY A 19 1.822 -3.198 -0.523 1.00 89.56 C +ATOM 117 C GLY A 19 3.000 -4.124 -0.723 1.00 90.22 C +ATOM 118 O GLY A 19 4.064 -3.717 -1.189 1.00 90.43 O +ATOM 119 N PRO A 20 2.814 -5.375 -0.367 1.00 86.41 N +ATOM 120 CA PRO A 20 3.882 -6.341 -0.527 1.00 86.18 C +ATOM 121 C PRO A 20 4.135 -6.649 -1.992 1.00 86.31 C +ATOM 122 O PRO A 20 3.298 -6.380 -2.850 1.00 86.32 O +ATOM 123 CB PRO A 20 3.358 -7.567 0.219 1.00 83.78 C +ATOM 124 CG PRO A 20 1.886 -7.431 0.138 1.00 81.06 C +ATOM 125 CD PRO A 20 1.607 -5.961 0.189 1.00 82.50 C +HETATM 126 N HYP A 21 5.298 -7.202 -2.247 1.00 83.36 N +HETATM 127 CA HYP A 21 5.604 -7.631 -3.590 1.00 86.89 C +HETATM 128 C HYP A 21 4.607 -8.603 -4.145 1.00 85.19 C +HETATM 129 O HYP A 21 4.062 -9.408 -3.370 1.00 90.17 O +HETATM 130 CB HYP A 21 6.983 -8.282 -3.461 1.00 83.93 C +HETATM 131 CG HYP A 21 7.598 -7.628 -2.243 1.00 80.14 C +HETATM 132 CD HYP A 21 6.417 -7.442 -1.325 1.00 85.10 C +HETATM 133 OD1 HYP A 21 8.080 -6.322 -2.595 1.00 81.94 O +ATOM 134 N GLY A 22 4.266 -8.470 -5.384 1.00 85.94 N +ATOM 135 CA GLY A 22 3.383 -9.399 -6.026 1.00 83.38 C +ATOM 136 C GLY A 22 4.030 -10.764 -6.159 1.00 83.30 C +ATOM 137 O GLY A 22 5.186 -10.964 -5.795 1.00 83.31 O +ATOM 138 N PRO A 23 3.291 -11.721 -6.706 1.00 89.23 N +ATOM 139 CA PRO A 23 3.838 -13.054 -6.875 1.00 88.98 C +ATOM 140 C PRO A 23 4.973 -13.055 -7.883 1.00 88.14 C +ATOM 141 O PRO A 23 5.081 -12.163 -8.718 1.00 84.72 O +ATOM 142 CB PRO A 23 2.644 -13.868 -7.359 1.00 85.56 C +ATOM 143 CG PRO A 23 1.758 -12.874 -7.997 1.00 83.39 C +ATOM 144 CD PRO A 23 1.933 -11.607 -7.217 1.00 85.65 C +HETATM 145 N HYP A 24 5.781 -13.982 -7.877 1.00 87.29 N +HETATM 146 CA HYP A 24 6.920 -13.985 -8.795 1.00 84.01 C +HETATM 147 C HYP A 24 6.688 -13.392 -10.096 1.00 83.66 C +HETATM 148 O HYP A 24 7.414 -13.620 -11.056 1.00 78.27 O +HETATM 149 CB HYP A 24 7.403 -15.409 -8.753 1.00 83.22 C +HETATM 150 CG HYP A 24 6.897 -15.997 -7.474 1.00 81.07 C +HETATM 151 CD HYP A 24 5.602 -15.260 -7.233 1.00 85.60 C +HETATM 152 OD1 HYP A 24 7.771 -15.673 -6.395 1.00 81.52 O +HETATM 153 OXT HYP A 24 5.741 -12.638 -10.208 1.00 76.66 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_539.txt b/protein_pdb_539.txt new file mode 100644 index 0000000000000000000000000000000000000000..9ea4159cb17af1e9d766917d22834bd5bbbb31af --- /dev/null +++ b/protein_pdb_539.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 3.999 -15.446 0.184 1.00 81.04 N +ATOM 2 CA GLY A 1 3.737 -14.932 -1.151 1.00 81.33 C +ATOM 3 C GLY A 1 4.405 -13.595 -1.359 1.00 81.93 C +ATOM 4 O GLY A 1 5.014 -13.052 -0.445 1.00 80.99 O +ATOM 5 N PRO A 2 4.279 -13.043 -2.546 1.00 83.34 N +ATOM 6 CA PRO A 2 4.914 -11.767 -2.848 1.00 84.38 C +ATOM 7 C PRO A 2 4.194 -10.608 -2.199 1.00 84.43 C +ATOM 8 O PRO A 2 3.060 -10.725 -1.755 1.00 83.48 O +ATOM 9 CB PRO A 2 4.820 -11.688 -4.371 1.00 82.00 C +ATOM 10 CG PRO A 2 3.605 -12.471 -4.702 1.00 76.46 C +ATOM 11 CD PRO A 2 3.547 -13.583 -3.692 1.00 76.84 C +HETATM 12 N HYP A 3 4.869 -9.536 -2.146 1.00 84.07 N +HETATM 13 CA HYP A 3 4.252 -8.283 -1.666 1.00 85.76 C +HETATM 14 C HYP A 3 3.043 -7.906 -2.463 1.00 87.38 C +HETATM 15 O HYP A 3 2.948 -8.246 -3.666 1.00 89.44 O +HETATM 16 CB HYP A 3 5.407 -7.269 -1.834 1.00 85.59 C +HETATM 17 CG HYP A 3 6.674 -8.100 -1.706 1.00 80.15 C +HETATM 18 CD HYP A 3 6.279 -9.407 -2.445 1.00 82.82 C +HETATM 19 OD1 HYP A 3 6.911 -8.371 -0.359 1.00 85.86 O +ATOM 20 N GLY A 4 2.097 -7.310 -1.818 1.00 89.50 N +ATOM 21 CA GLY A 4 0.916 -6.847 -2.484 1.00 88.85 C +ATOM 22 C GLY A 4 1.211 -5.685 -3.408 1.00 89.71 C +ATOM 23 O GLY A 4 2.314 -5.150 -3.427 1.00 90.42 O +ATOM 24 N PRO A 5 0.218 -5.295 -4.178 1.00 90.04 N +ATOM 25 CA PRO A 5 0.406 -4.184 -5.099 1.00 89.56 C +ATOM 26 C PRO A 5 0.482 -2.853 -4.367 1.00 89.34 C +ATOM 27 O PRO A 5 0.064 -2.733 -3.222 1.00 88.08 O +ATOM 28 CB PRO A 5 -0.837 -4.254 -5.980 1.00 88.24 C +ATOM 29 CG PRO A 5 -1.868 -4.870 -5.097 1.00 85.92 C +ATOM 30 CD PRO A 5 -1.129 -5.855 -4.238 1.00 87.49 C +HETATM 31 N HYP A 6 1.047 -1.884 -5.047 1.00 92.08 N +HETATM 32 CA HYP A 6 1.050 -0.536 -4.518 1.00 94.08 C +HETATM 33 C HYP A 6 -0.329 -0.024 -4.252 1.00 93.47 C +HETATM 34 O HYP A 6 -1.289 -0.419 -4.947 1.00 93.30 O +HETATM 35 CB HYP A 6 1.720 0.246 -5.675 1.00 90.85 C +HETATM 36 CG HYP A 6 2.598 -0.772 -6.356 1.00 89.23 C +HETATM 37 CD HYP A 6 1.760 -2.035 -6.291 1.00 90.40 C +HETATM 38 OD1 HYP A 6 3.775 -0.936 -5.599 1.00 89.50 O +ATOM 39 N GLY A 7 -0.467 0.767 -3.240 1.00 90.32 N +ATOM 40 CA GLY A 7 -1.737 1.366 -2.918 1.00 88.95 C +ATOM 41 C GLY A 7 -2.184 2.331 -3.993 1.00 89.60 C +ATOM 42 O GLY A 7 -1.438 2.656 -4.916 1.00 90.01 O +ATOM 43 N PRO A 8 -3.416 2.786 -3.870 1.00 89.54 N +ATOM 44 CA PRO A 8 -3.936 3.715 -4.866 1.00 88.95 C +ATOM 45 C PRO A 8 -3.311 5.089 -4.724 1.00 89.12 C +ATOM 46 O PRO A 8 -2.838 5.475 -3.665 1.00 87.49 O +ATOM 47 CB PRO A 8 -5.431 3.749 -4.563 1.00 86.53 C +ATOM 48 CG PRO A 8 -5.508 3.437 -3.120 1.00 85.43 C +ATOM 49 CD PRO A 8 -4.394 2.474 -2.840 1.00 86.84 C +HETATM 50 N HYP A 9 -3.337 5.871 -5.820 1.00 89.17 N +HETATM 51 CA HYP A 9 -2.845 7.168 -5.785 1.00 90.67 C +HETATM 52 C HYP A 9 -3.713 8.064 -4.892 1.00 88.48 C +HETATM 53 O HYP A 9 -4.905 7.782 -4.697 1.00 88.26 O +HETATM 54 CB HYP A 9 -3.060 7.672 -7.239 1.00 86.06 C +HETATM 55 CG HYP A 9 -3.165 6.446 -8.052 1.00 82.62 C +HETATM 56 CD HYP A 9 -3.778 5.445 -7.155 1.00 86.56 C +HETATM 57 OD1 HYP A 9 -1.864 6.037 -8.388 1.00 86.58 O +ATOM 58 N GLY A 10 -3.217 9.058 -4.328 1.00 88.51 N +ATOM 59 CA GLY A 10 -4.006 10.075 -3.679 1.00 86.05 C +ATOM 60 C GLY A 10 -4.700 10.925 -4.727 1.00 86.59 C +ATOM 61 O GLY A 10 -4.732 10.581 -5.907 1.00 84.40 O +ATOM 62 N CYS A 11 -5.250 12.037 -4.298 1.00 83.73 N +ATOM 63 CA CYS A 11 -5.901 12.912 -5.267 1.00 86.17 C +ATOM 64 C CYS A 11 -4.968 13.199 -6.435 1.00 86.67 C +ATOM 65 O CYS A 11 -5.343 13.014 -7.593 1.00 83.69 O +ATOM 66 CB CYS A 11 -6.340 14.214 -4.600 1.00 83.42 C +ATOM 67 SG CYS A 11 -7.598 13.967 -3.353 1.00 77.54 S +ATOM 68 N ASN A 12 -3.756 13.635 -6.106 1.00 84.06 N +ATOM 69 CA ASN A 12 -2.699 13.837 -7.094 1.00 88.07 C +ATOM 70 C ASN A 12 -1.413 13.171 -6.627 1.00 88.32 C +ATOM 71 O ASN A 12 -0.341 13.491 -7.135 1.00 84.21 O +ATOM 72 CB ASN A 12 -2.443 15.336 -7.322 1.00 85.72 C +ATOM 73 CG ASN A 12 -3.630 16.046 -7.932 1.00 79.17 C +ATOM 74 OD1 ASN A 12 -4.361 15.495 -8.746 1.00 75.28 O +ATOM 75 ND2 ASN A 12 -3.825 17.296 -7.553 1.00 72.07 N +ATOM 76 N GLY A 13 -1.523 12.304 -5.673 1.00 90.60 N +ATOM 77 CA GLY A 13 -0.357 11.760 -5.007 1.00 88.94 C +ATOM 78 C GLY A 13 0.138 10.468 -5.610 1.00 89.01 C +ATOM 79 O GLY A 13 -0.489 9.889 -6.501 1.00 90.14 O +ATOM 80 N PRO A 14 1.269 10.020 -5.124 1.00 87.01 N +ATOM 81 CA PRO A 14 1.856 8.784 -5.617 1.00 85.68 C +ATOM 82 C PRO A 14 1.108 7.573 -5.092 1.00 85.71 C +ATOM 83 O PRO A 14 0.347 7.649 -4.134 1.00 83.67 O +ATOM 84 CB PRO A 14 3.277 8.827 -5.068 1.00 83.75 C +ATOM 85 CG PRO A 14 3.133 9.581 -3.796 1.00 82.54 C +ATOM 86 CD PRO A 14 2.079 10.626 -4.063 1.00 82.32 C +HETATM 87 N HYP A 15 1.357 6.491 -5.723 1.00 88.06 N +HETATM 88 CA HYP A 15 0.859 5.226 -5.235 1.00 91.68 C +HETATM 89 C HYP A 15 1.354 4.932 -3.856 1.00 91.48 C +HETATM 90 O HYP A 15 2.450 5.402 -3.466 1.00 91.88 O +HETATM 91 CB HYP A 15 1.478 4.261 -6.271 1.00 90.18 C +HETATM 92 CG HYP A 15 1.637 5.088 -7.520 1.00 82.40 C +HETATM 93 CD HYP A 15 2.056 6.418 -6.984 1.00 88.37 C +HETATM 94 OD1 HYP A 15 0.412 5.192 -8.191 1.00 89.36 O +ATOM 95 N GLY A 16 0.598 4.242 -3.113 1.00 92.71 N +ATOM 96 CA GLY A 16 1.034 3.803 -1.821 1.00 91.95 C +ATOM 97 C GLY A 16 2.097 2.735 -1.933 1.00 93.03 C +ATOM 98 O GLY A 16 2.427 2.279 -3.025 1.00 92.98 O +ATOM 99 N PRO A 17 2.631 2.342 -0.784 1.00 91.60 N +ATOM 100 CA PRO A 17 3.661 1.309 -0.788 1.00 90.78 C +ATOM 101 C PRO A 17 3.077 -0.057 -1.108 1.00 91.42 C +ATOM 102 O PRO A 17 1.872 -0.270 -1.016 1.00 90.24 O +ATOM 103 CB PRO A 17 4.213 1.376 0.631 1.00 89.20 C +ATOM 104 CG PRO A 17 3.075 1.873 1.440 1.00 88.05 C +ATOM 105 CD PRO A 17 2.330 2.825 0.559 1.00 88.94 C +HETATM 106 N HYP A 18 3.953 -0.977 -1.477 1.00 89.69 N +HETATM 107 CA HYP A 18 3.534 -2.331 -1.662 1.00 92.88 C +HETATM 108 C HYP A 18 2.912 -2.903 -0.432 1.00 91.35 C +HETATM 109 O HYP A 18 3.282 -2.518 0.697 1.00 93.33 O +HETATM 110 CB HYP A 18 4.867 -3.044 -1.970 1.00 90.42 C +HETATM 111 CG HYP A 18 5.714 -1.985 -2.615 1.00 88.81 C +HETATM 112 CD HYP A 18 5.345 -0.743 -1.822 1.00 91.78 C +HETATM 113 OD1 HYP A 18 5.331 -1.833 -3.961 1.00 89.66 O +ATOM 114 N GLY A 19 1.953 -3.745 -0.604 1.00 91.50 N +ATOM 115 CA GLY A 19 1.328 -4.422 0.493 1.00 90.99 C +ATOM 116 C GLY A 19 2.277 -5.397 1.155 1.00 91.91 C +ATOM 117 O GLY A 19 3.392 -5.622 0.686 1.00 91.96 O +ATOM 118 N PRO A 20 1.823 -5.983 2.246 1.00 88.31 N +ATOM 119 CA PRO A 20 2.655 -6.940 2.951 1.00 87.55 C +ATOM 120 C PRO A 20 2.794 -8.236 2.164 1.00 87.71 C +ATOM 121 O PRO A 20 2.015 -8.508 1.255 1.00 86.45 O +ATOM 122 CB PRO A 20 1.899 -7.156 4.253 1.00 85.23 C +ATOM 123 CG PRO A 20 0.478 -6.893 3.896 1.00 83.25 C +ATOM 124 CD PRO A 20 0.517 -5.805 2.863 1.00 84.30 C +HETATM 125 N HYP A 21 3.799 -9.001 2.528 1.00 88.76 N +HETATM 126 CA HYP A 21 3.953 -10.301 1.934 1.00 89.78 C +HETATM 127 C HYP A 21 2.726 -11.175 2.093 1.00 89.96 C +HETATM 128 O HYP A 21 2.051 -11.063 3.102 1.00 91.44 O +HETATM 129 CB HYP A 21 5.153 -10.886 2.650 1.00 87.33 C +HETATM 130 CG HYP A 21 5.946 -9.691 3.122 1.00 86.12 C +HETATM 131 CD HYP A 21 4.879 -8.679 3.465 1.00 89.15 C +HETATM 132 OD1 HYP A 21 6.715 -9.173 2.035 1.00 86.97 O +ATOM 133 N GLY A 22 2.383 -11.902 1.087 1.00 87.11 N +ATOM 134 CA GLY A 22 1.269 -12.802 1.148 1.00 85.46 C +ATOM 135 C GLY A 22 1.546 -13.959 2.097 1.00 85.54 C +ATOM 136 O GLY A 22 2.627 -14.058 2.668 1.00 84.82 O +ATOM 137 N PRO A 23 0.579 -14.841 2.249 1.00 89.91 N +ATOM 138 CA PRO A 23 0.791 -16.022 3.084 1.00 89.56 C +ATOM 139 C PRO A 23 1.968 -16.835 2.571 1.00 89.03 C +ATOM 140 O PRO A 23 2.265 -16.822 1.380 1.00 85.92 O +ATOM 141 CB PRO A 23 -0.509 -16.792 2.945 1.00 86.10 C +ATOM 142 CG PRO A 23 -1.499 -15.766 2.553 1.00 84.30 C +ATOM 143 CD PRO A 23 -0.753 -14.795 1.696 1.00 86.15 C +HETATM 144 N HYP A 24 2.614 -17.550 3.378 1.00 88.97 N +HETATM 145 CA HYP A 24 3.789 -18.243 2.915 1.00 88.22 C +HETATM 146 C HYP A 24 3.966 -18.289 1.486 1.00 86.49 C +HETATM 147 O HYP A 24 3.370 -19.170 0.860 1.00 83.75 O +HETATM 148 CB HYP A 24 4.046 -19.317 3.847 1.00 87.58 C +HETATM 149 CG HYP A 24 3.193 -19.009 5.078 1.00 85.30 C +HETATM 150 CD HYP A 24 2.098 -18.088 4.577 1.00 88.99 C +HETATM 151 OD1 HYP A 24 3.951 -18.265 6.029 1.00 83.57 O +HETATM 152 OXT HYP A 24 4.750 -17.438 0.985 1.00 81.54 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_54.txt b/protein_pdb_54.txt new file mode 100644 index 0000000000000000000000000000000000000000..94a2c967c9ccdc00232c18e59e283c03744a8d13 --- /dev/null +++ b/protein_pdb_54.txt @@ -0,0 +1,149 @@ +ATOM 1 N GLY A 1 -11.651 -6.969 -6.428 1.00 72.10 N +ATOM 2 CA GLY A 1 -11.266 -5.605 -6.748 1.00 76.31 C +ATOM 3 C GLY A 1 -9.816 -5.523 -7.148 1.00 77.61 C +ATOM 4 O GLY A 1 -9.101 -6.528 -7.140 1.00 74.14 O +ATOM 5 N PRO A 2 -9.377 -4.335 -7.477 1.00 79.63 N +ATOM 6 CA PRO A 2 -8.001 -4.160 -7.919 1.00 81.75 C +ATOM 7 C PRO A 2 -7.009 -4.270 -6.781 1.00 82.81 C +ATOM 8 O PRO A 2 -7.357 -4.107 -5.617 1.00 79.50 O +ATOM 9 CB PRO A 2 -8.000 -2.747 -8.506 1.00 78.13 C +ATOM 10 CG PRO A 2 -9.067 -2.045 -7.753 1.00 74.16 C +ATOM 11 CD PRO A 2 -10.126 -3.078 -7.482 1.00 73.29 C +HETATM 12 N HYP A 3 -5.829 -4.550 -7.154 1.00 83.48 N +HETATM 13 CA HYP A 3 -4.732 -4.541 -6.170 1.00 83.67 C +HETATM 14 C HYP A 3 -4.588 -3.188 -5.559 1.00 83.99 C +HETATM 15 O HYP A 3 -4.894 -2.150 -6.183 1.00 84.71 O +HETATM 16 CB HYP A 3 -3.519 -4.885 -7.078 1.00 82.47 C +HETATM 17 CG HYP A 3 -4.116 -5.640 -8.229 1.00 77.74 C +HETATM 18 CD HYP A 3 -5.426 -4.921 -8.486 1.00 79.33 C +HETATM 19 OD1 HYP A 3 -4.386 -6.972 -7.878 1.00 79.90 O +ATOM 20 N GLY A 4 -4.191 -3.190 -4.332 1.00 88.72 N +ATOM 21 CA GLY A 4 -3.922 -1.942 -3.671 1.00 87.59 C +ATOM 22 C GLY A 4 -2.716 -1.246 -4.261 1.00 87.50 C +ATOM 23 O GLY A 4 -1.971 -1.826 -5.060 1.00 85.96 O +ATOM 24 N PRO A 5 -2.515 0.001 -3.869 1.00 88.40 N +ATOM 25 CA PRO A 5 -1.365 0.742 -4.371 1.00 87.69 C +ATOM 26 C PRO A 5 -0.070 0.236 -3.746 1.00 87.60 C +ATOM 27 O PRO A 5 -0.076 -0.359 -2.676 1.00 85.61 O +ATOM 28 CB PRO A 5 -1.664 2.172 -3.936 1.00 85.44 C +ATOM 29 CG PRO A 5 -2.491 2.012 -2.709 1.00 84.58 C +ATOM 30 CD PRO A 5 -3.332 0.783 -2.941 1.00 85.76 C +HETATM 31 N HYP A 6 1.013 0.490 -4.435 1.00 88.58 N +HETATM 32 CA HYP A 6 2.321 0.187 -3.868 1.00 89.86 C +HETATM 33 C HYP A 6 2.535 0.952 -2.619 1.00 87.98 C +HETATM 34 O HYP A 6 2.015 2.059 -2.446 1.00 86.97 O +HETATM 35 CB HYP A 6 3.233 0.645 -5.038 1.00 86.05 C +HETATM 36 CG HYP A 6 2.390 0.476 -6.280 1.00 85.05 C +HETATM 37 CD HYP A 6 1.062 0.927 -5.820 1.00 86.29 C +HETATM 38 OD1 HYP A 6 2.326 -0.867 -6.685 1.00 84.34 O +ATOM 39 N GLY A 7 3.206 0.322 -1.689 1.00 87.63 N +ATOM 40 CA GLY A 7 3.542 0.981 -0.453 1.00 85.06 C +ATOM 41 C GLY A 7 4.477 2.148 -0.684 1.00 85.32 C +ATOM 42 O GLY A 7 5.032 2.323 -1.767 1.00 83.81 O +ATOM 43 N PRO A 8 4.653 2.943 0.343 1.00 85.52 N +ATOM 44 CA PRO A 8 5.553 4.084 0.223 1.00 84.79 C +ATOM 45 C PRO A 8 7.005 3.641 0.166 1.00 85.21 C +ATOM 46 O PRO A 8 7.354 2.561 0.642 1.00 82.35 O +ATOM 47 CB PRO A 8 5.268 4.887 1.492 1.00 82.18 C +ATOM 48 CG PRO A 8 4.834 3.863 2.466 1.00 81.87 C +ATOM 49 CD PRO A 8 4.067 2.838 1.668 1.00 83.23 C +HETATM 50 N HYP A 9 7.804 4.531 -0.413 1.00 83.19 N +HETATM 51 CA HYP A 9 9.199 4.243 -0.409 1.00 84.05 C +HETATM 52 C HYP A 9 9.711 4.209 0.958 1.00 82.77 C +HETATM 53 O HYP A 9 9.253 4.918 1.848 1.00 84.65 O +HETATM 54 CB HYP A 9 9.742 5.488 -1.187 1.00 79.48 C +HETATM 55 CG HYP A 9 8.615 5.964 -2.039 1.00 80.56 C +HETATM 56 CD HYP A 9 7.445 5.729 -1.182 1.00 81.76 C +HETATM 57 OD1 HYP A 9 8.471 5.196 -3.217 1.00 81.00 O +ATOM 58 N GLY A 10 10.650 3.268 1.189 1.00 83.72 N +ATOM 59 CA GLY A 10 11.328 3.207 2.461 1.00 81.95 C +ATOM 60 C GLY A 10 12.156 4.458 2.679 1.00 82.64 C +ATOM 61 O GLY A 10 12.343 5.262 1.767 1.00 81.12 O +ATOM 62 N PRO A 11 12.671 4.609 3.871 1.00 83.63 N +ATOM 63 CA PRO A 11 13.499 5.762 4.195 1.00 83.89 C +ATOM 64 C PRO A 11 14.966 5.493 3.839 1.00 83.52 C +ATOM 65 O PRO A 11 15.697 4.947 4.649 1.00 80.30 O +ATOM 66 CB PRO A 11 13.284 5.912 5.698 1.00 81.60 C +ATOM 67 CG PRO A 11 13.040 4.522 6.173 1.00 81.31 C +ATOM 68 CD PRO A 11 12.357 3.793 5.038 1.00 82.33 C +HETATM 69 N HYP A 12 15.155 5.940 2.649 1.00 76.96 N +HETATM 70 CA HYP A 12 15.468 5.735 1.366 1.00 79.37 C +HETATM 71 C HYP A 12 15.219 4.563 0.686 1.00 79.75 C +HETATM 72 O HYP A 12 15.264 4.579 -0.572 1.00 77.27 O +HETATM 73 CB HYP A 12 16.879 6.308 1.211 1.00 77.43 C +HETATM 74 CG HYP A 12 17.197 6.906 2.525 1.00 76.54 C +HETATM 75 CD HYP A 12 15.902 6.863 3.280 1.00 79.08 C +HETATM 76 OD1 HYP A 12 17.725 8.196 2.463 1.00 76.30 O +ATOM 77 N GLY A 13 14.617 3.494 1.200 1.00 78.91 N +ATOM 78 CA GLY A 13 14.399 2.191 0.602 1.00 75.88 C +ATOM 79 C GLY A 13 13.345 2.202 -0.497 1.00 76.74 C +ATOM 80 O GLY A 13 12.702 3.218 -0.750 1.00 76.28 O +ATOM 81 N PRO A 14 13.168 1.065 -1.133 1.00 73.18 N +ATOM 82 CA PRO A 14 12.239 0.968 -2.245 1.00 74.41 C +ATOM 83 C PRO A 14 10.787 0.968 -1.795 1.00 73.35 C +ATOM 84 O PRO A 14 10.467 0.681 -0.641 1.00 72.01 O +ATOM 85 CB PRO A 14 12.603 -0.369 -2.896 1.00 73.03 C +ATOM 86 CG PRO A 14 13.087 -1.183 -1.750 1.00 71.98 C +ATOM 87 CD PRO A 14 13.829 -0.218 -0.863 1.00 71.50 C +ATOM 88 N ALA A 15 9.915 1.275 -2.752 1.00 69.88 N +ATOM 89 CA ALA A 15 8.488 1.188 -2.496 1.00 69.91 C +ATOM 90 C ALA A 15 8.112 -0.232 -2.101 1.00 69.48 C +ATOM 91 O ALA A 15 8.700 -1.213 -2.575 1.00 64.82 O +ATOM 92 CB ALA A 15 7.710 1.614 -3.727 1.00 67.80 C +ATOM 93 N GLY A 16 7.140 -0.334 -1.252 1.00 76.86 N +ATOM 94 CA GLY A 16 6.630 -1.627 -0.859 1.00 75.85 C +ATOM 95 C GLY A 16 5.767 -2.252 -1.943 1.00 77.94 C +ATOM 96 O GLY A 16 5.459 -1.630 -2.953 1.00 77.79 O +ATOM 97 N PRO A 17 5.356 -3.492 -1.716 1.00 74.85 N +ATOM 98 CA PRO A 17 4.529 -4.177 -2.690 1.00 76.94 C +ATOM 99 C PRO A 17 3.119 -3.613 -2.722 1.00 77.95 C +ATOM 100 O PRO A 17 2.645 -2.997 -1.762 1.00 74.99 O +ATOM 101 CB PRO A 17 4.526 -5.629 -2.199 1.00 75.15 C +ATOM 102 CG PRO A 17 4.716 -5.502 -0.728 1.00 75.50 C +ATOM 103 CD PRO A 17 5.633 -4.325 -0.542 1.00 75.06 C +ATOM 104 N ALA A 18 2.460 -3.841 -3.838 1.00 72.89 N +ATOM 105 CA ALA A 18 1.058 -3.493 -3.935 1.00 74.51 C +ATOM 106 C ALA A 18 0.268 -4.232 -2.865 1.00 74.49 C +ATOM 107 O ALA A 18 0.618 -5.344 -2.459 1.00 69.15 O +ATOM 108 CB ALA A 18 0.524 -3.845 -5.315 1.00 71.23 C +ATOM 109 N GLY A 19 -0.791 -3.604 -2.439 1.00 76.29 N +ATOM 110 CA GLY A 19 -1.668 -4.220 -1.475 1.00 76.46 C +ATOM 111 C GLY A 19 -2.456 -5.372 -2.063 1.00 78.14 C +ATOM 112 O GLY A 19 -2.402 -5.645 -3.262 1.00 76.62 O +ATOM 113 N PRO A 20 -3.204 -6.057 -1.201 1.00 78.90 N +ATOM 114 CA PRO A 20 -3.980 -7.200 -1.655 1.00 79.79 C +ATOM 115 C PRO A 20 -5.138 -6.774 -2.531 1.00 80.33 C +ATOM 116 O PRO A 20 -5.594 -5.639 -2.480 1.00 78.21 O +ATOM 117 CB PRO A 20 -4.479 -7.828 -0.352 1.00 77.78 C +ATOM 118 CG PRO A 20 -4.545 -6.678 0.596 1.00 77.76 C +ATOM 119 CD PRO A 20 -3.394 -5.786 0.234 1.00 77.71 C +HETATM 120 N HYP A 21 -5.627 -7.714 -3.296 1.00 85.28 N +HETATM 121 CA HYP A 21 -6.762 -7.487 -4.088 1.00 84.45 C +HETATM 122 C HYP A 21 -7.969 -7.141 -3.239 1.00 83.05 C +HETATM 123 O HYP A 21 -8.041 -7.584 -2.088 1.00 80.13 O +HETATM 124 CB HYP A 21 -6.948 -8.810 -4.741 1.00 79.70 C +HETATM 125 CG HYP A 21 -5.570 -9.410 -4.761 1.00 77.69 C +HETATM 126 CD HYP A 21 -4.985 -9.001 -3.480 1.00 80.49 C +HETATM 127 OD1 HYP A 21 -4.780 -8.838 -5.807 1.00 78.74 O +ATOM 128 N GLY A 22 -8.796 -6.305 -3.710 1.00 81.33 N +ATOM 129 CA GLY A 22 -10.032 -6.037 -3.025 1.00 79.95 C +ATOM 130 C GLY A 22 -10.941 -7.253 -3.068 1.00 79.51 C +ATOM 131 O GLY A 22 -10.593 -8.299 -3.630 1.00 76.72 O +ATOM 132 N PRO A 23 -12.119 -7.109 -2.484 1.00 78.84 N +ATOM 133 CA PRO A 23 -13.058 -8.229 -2.494 1.00 80.67 C +ATOM 134 C PRO A 23 -13.517 -8.520 -3.909 1.00 80.20 C +ATOM 135 O PRO A 23 -13.548 -7.643 -4.765 1.00 76.40 O +ATOM 136 CB PRO A 23 -14.199 -7.742 -1.612 1.00 75.89 C +ATOM 137 CG PRO A 23 -14.113 -6.261 -1.661 1.00 74.69 C +ATOM 138 CD PRO A 23 -12.660 -5.933 -1.824 1.00 74.84 C +HETATM 139 N HYP A 24 -13.942 -9.695 -4.183 1.00 78.89 N +HETATM 140 CA HYP A 24 -14.311 -10.032 -5.544 1.00 77.70 C +HETATM 141 C HYP A 24 -15.098 -9.008 -6.166 1.00 76.98 C +HETATM 142 O HYP A 24 -16.208 -8.747 -5.686 1.00 74.92 O +HETATM 143 CB HYP A 24 -14.866 -11.409 -5.406 1.00 78.73 C +HETATM 144 CG HYP A 24 -14.308 -11.963 -4.120 1.00 74.73 C +HETATM 145 CD HYP A 24 -14.144 -10.746 -3.231 1.00 77.04 C +HETATM 146 OD1 HYP A 24 -13.015 -12.511 -4.356 1.00 74.28 O +HETATM 147 OXT HYP A 24 -14.521 -8.427 -7.130 1.00 73.14 O +TER 148 HYP A 24 +END diff --git a/protein_pdb_540.txt b/protein_pdb_540.txt new file mode 100644 index 0000000000000000000000000000000000000000..2c3b2c03a7449b16792cb6e1f0bd57c536a8deca --- /dev/null +++ b/protein_pdb_540.txt @@ -0,0 +1,164 @@ +ATOM 1 N GLY A 1 15.449 -2.731 2.746 1.00 88.63 N +ATOM 2 CA GLY A 1 14.924 -2.144 1.565 1.00 89.63 C +ATOM 3 C GLY A 1 13.703 -1.283 1.783 1.00 90.22 C +ATOM 4 O GLY A 1 13.126 -1.265 2.865 1.00 88.34 O +ATOM 5 N PRO A 2 13.310 -0.605 0.774 1.00 89.61 N +ATOM 6 CA PRO A 2 12.152 0.266 0.857 1.00 90.66 C +ATOM 7 C PRO A 2 10.862 -0.527 0.810 1.00 90.32 C +ATOM 8 O PRO A 2 10.853 -1.718 0.516 1.00 88.09 O +ATOM 9 CB PRO A 2 12.304 1.144 -0.374 1.00 87.59 C +ATOM 10 CG PRO A 2 12.985 0.244 -1.352 1.00 84.36 C +ATOM 11 CD PRO A 2 13.940 -0.581 -0.538 1.00 86.98 C +HETATM 12 N HYP A 3 9.824 0.167 1.101 1.00 90.55 N +HETATM 13 CA HYP A 3 8.505 -0.475 0.997 1.00 89.47 C +HETATM 14 C HYP A 3 8.220 -0.933 -0.404 1.00 90.77 C +HETATM 15 O HYP A 3 8.722 -0.326 -1.367 1.00 92.69 O +HETATM 16 CB HYP A 3 7.565 0.662 1.462 1.00 87.89 C +HETATM 17 CG HYP A 3 8.434 1.526 2.368 1.00 85.62 C +HETATM 18 CD HYP A 3 9.792 1.487 1.649 1.00 88.23 C +HETATM 19 OD1 HYP A 3 8.547 0.896 3.611 1.00 88.41 O +ATOM 20 N GLY A 4 7.515 -2.013 -0.519 1.00 92.10 N +ATOM 21 CA GLY A 4 7.128 -2.494 -1.814 1.00 91.78 C +ATOM 22 C GLY A 4 6.131 -1.552 -2.464 1.00 92.74 C +ATOM 23 O GLY A 4 5.639 -0.611 -1.847 1.00 92.92 O +ATOM 24 N PRO A 5 5.807 -1.803 -3.727 1.00 92.80 N +ATOM 25 CA PRO A 5 4.865 -0.952 -4.432 1.00 93.18 C +ATOM 26 C PRO A 5 3.454 -1.131 -3.910 1.00 93.22 C +ATOM 27 O PRO A 5 3.136 -2.126 -3.270 1.00 92.25 O +ATOM 28 CB PRO A 5 4.991 -1.415 -5.876 1.00 91.40 C +ATOM 29 CG PRO A 5 5.393 -2.841 -5.754 1.00 89.46 C +ATOM 30 CD PRO A 5 6.285 -2.906 -4.557 1.00 91.75 C +HETATM 31 N HYP A 6 2.623 -0.132 -4.190 1.00 91.45 N +HETATM 32 CA HYP A 6 1.217 -0.270 -3.869 1.00 94.46 C +HETATM 33 C HYP A 6 0.589 -1.451 -4.515 1.00 93.69 C +HETATM 34 O HYP A 6 1.037 -1.875 -5.614 1.00 93.85 O +HETATM 35 CB HYP A 6 0.635 1.054 -4.347 1.00 89.56 C +HETATM 36 CG HYP A 6 1.788 2.022 -4.282 1.00 88.97 C +HETATM 37 CD HYP A 6 2.945 1.158 -4.716 1.00 90.68 C +HETATM 38 OD1 HYP A 6 1.977 2.455 -2.964 1.00 90.09 O +ATOM 39 N GLY A 7 -0.355 -2.040 -3.883 1.00 93.82 N +ATOM 40 CA GLY A 7 -1.075 -3.138 -4.456 1.00 93.29 C +ATOM 41 C GLY A 7 -1.870 -2.696 -5.662 1.00 93.53 C +ATOM 42 O GLY A 7 -2.003 -1.504 -5.943 1.00 93.28 O +ATOM 43 N PRO A 8 -2.413 -3.649 -6.382 1.00 93.14 N +ATOM 44 CA PRO A 8 -3.214 -3.312 -7.549 1.00 92.77 C +ATOM 45 C PRO A 8 -4.442 -2.516 -7.174 1.00 92.61 C +ATOM 46 O PRO A 8 -4.965 -2.641 -6.073 1.00 91.09 O +ATOM 47 CB PRO A 8 -3.610 -4.669 -8.127 1.00 90.90 C +ATOM 48 CG PRO A 8 -2.656 -5.629 -7.534 1.00 90.25 C +ATOM 49 CD PRO A 8 -2.302 -5.085 -6.187 1.00 92.30 C +HETATM 50 N HYP A 9 -4.921 -1.698 -8.108 1.00 91.09 N +HETATM 51 CA HYP A 9 -6.130 -0.991 -7.890 1.00 90.29 C +HETATM 52 C HYP A 9 -7.290 -1.926 -7.740 1.00 91.78 C +HETATM 53 O HYP A 9 -7.339 -2.963 -8.404 1.00 92.00 O +HETATM 54 CB HYP A 9 -6.288 -0.175 -9.201 1.00 88.89 C +HETATM 55 CG HYP A 9 -4.913 -0.038 -9.728 1.00 88.08 C +HETATM 56 CD HYP A 9 -4.245 -1.301 -9.341 1.00 91.45 C +HETATM 57 OD1 HYP A 9 -4.279 1.036 -9.060 1.00 87.98 O +ATOM 58 N GLY A 10 -8.217 -1.662 -6.881 1.00 91.18 N +ATOM 59 CA GLY A 10 -9.466 -2.365 -6.852 1.00 88.98 C +ATOM 60 C GLY A 10 -10.294 -1.968 -8.054 1.00 89.11 C +ATOM 61 O GLY A 10 -9.981 -1.017 -8.764 1.00 87.79 O +ATOM 62 N TRP A 11 -11.362 -2.696 -8.267 1.00 88.63 N +ATOM 63 CA TRP A 11 -12.206 -2.368 -9.411 1.00 88.12 C +ATOM 64 C TRP A 11 -12.789 -0.968 -9.291 1.00 87.85 C +ATOM 65 O TRP A 11 -12.966 -0.287 -10.297 1.00 85.78 O +ATOM 66 CB TRP A 11 -13.337 -3.380 -9.531 1.00 87.54 C +ATOM 67 CG TRP A 11 -12.873 -4.751 -9.897 1.00 81.62 C +ATOM 68 CD1 TRP A 11 -11.596 -5.211 -9.978 1.00 80.32 C +ATOM 69 CD2 TRP A 11 -13.701 -5.876 -10.244 1.00 80.18 C +ATOM 70 NE1 TRP A 11 -11.571 -6.521 -10.341 1.00 71.58 N +ATOM 71 CE2 TRP A 11 -12.846 -6.954 -10.513 1.00 76.03 C +ATOM 72 CE3 TRP A 11 -15.079 -6.044 -10.346 1.00 72.88 C +ATOM 73 CZ2 TRP A 11 -13.338 -8.209 -10.877 1.00 82.49 C +ATOM 74 CZ3 TRP A 11 -15.561 -7.293 -10.705 1.00 71.85 C +ATOM 75 CH2 TRP A 11 -14.700 -8.352 -10.970 1.00 71.25 C +ATOM 76 N HIS A 12 -13.068 -0.565 -8.068 1.00 90.70 N +ATOM 77 CA HIS A 12 -13.580 0.776 -7.816 1.00 92.14 C +ATOM 78 C HIS A 12 -12.893 1.429 -6.633 1.00 91.96 C +ATOM 79 O HIS A 12 -13.375 2.428 -6.104 1.00 89.21 O +ATOM 80 CB HIS A 12 -15.088 0.720 -7.546 1.00 90.63 C +ATOM 81 CG HIS A 12 -15.853 0.039 -8.636 1.00 86.80 C +ATOM 82 ND1 HIS A 12 -16.386 -1.212 -8.492 1.00 81.83 N +ATOM 83 CD2 HIS A 12 -16.145 0.442 -9.890 1.00 76.57 C +ATOM 84 CE1 HIS A 12 -16.983 -1.552 -9.631 1.00 78.83 C +ATOM 85 NE2 HIS A 12 -16.851 -0.569 -10.487 1.00 79.42 N +ATOM 86 N GLY A 13 -11.778 0.886 -6.214 1.00 93.94 N +ATOM 87 CA GLY A 13 -11.123 1.340 -5.011 1.00 93.12 C +ATOM 88 C GLY A 13 -9.695 1.763 -5.247 1.00 93.24 C +ATOM 89 O GLY A 13 -9.168 1.644 -6.351 1.00 92.85 O +ATOM 90 N PRO A 14 -9.079 2.268 -4.205 1.00 94.52 N +ATOM 91 CA PRO A 14 -7.712 2.745 -4.303 1.00 94.25 C +ATOM 92 C PRO A 14 -6.731 1.593 -4.413 1.00 94.34 C +ATOM 93 O PRO A 14 -7.073 0.434 -4.192 1.00 93.27 O +ATOM 94 CB PRO A 14 -7.513 3.505 -2.996 1.00 92.99 C +ATOM 95 CG PRO A 14 -8.400 2.795 -2.041 1.00 91.68 C +ATOM 96 CD PRO A 14 -9.600 2.398 -2.847 1.00 93.12 C +HETATM 97 N HYP A 15 -5.550 1.956 -4.735 1.00 92.17 N +HETATM 98 CA HYP A 15 -4.481 0.979 -4.718 1.00 94.87 C +HETATM 99 C HYP A 15 -4.316 0.351 -3.378 1.00 94.29 C +HETATM 100 O HYP A 15 -4.667 0.983 -2.356 1.00 93.90 O +HETATM 101 CB HYP A 15 -3.289 1.849 -5.166 1.00 90.36 C +HETATM 102 CG HYP A 15 -3.926 2.959 -6.007 1.00 88.81 C +HETATM 103 CD HYP A 15 -5.196 3.254 -5.271 1.00 91.78 C +HETATM 104 OD1 HYP A 15 -4.206 2.488 -7.296 1.00 89.32 O +ATOM 105 N GLY A 16 -3.817 -0.821 -3.334 1.00 94.82 N +ATOM 106 CA GLY A 16 -3.513 -1.442 -2.084 1.00 94.39 C +ATOM 107 C GLY A 16 -2.402 -0.705 -1.368 1.00 94.64 C +ATOM 108 O GLY A 16 -1.765 0.192 -1.932 1.00 94.32 O +ATOM 109 N PRO A 17 -2.161 -1.080 -0.127 1.00 93.73 N +ATOM 110 CA PRO A 17 -1.101 -0.433 0.627 1.00 93.59 C +ATOM 111 C PRO A 17 0.262 -0.825 0.100 1.00 94.02 C +ATOM 112 O PRO A 17 0.407 -1.820 -0.602 1.00 93.04 O +ATOM 113 CB PRO A 17 -1.322 -0.941 2.048 1.00 92.15 C +ATOM 114 CG PRO A 17 -1.967 -2.264 1.852 1.00 90.53 C +ATOM 115 CD PRO A 17 -2.838 -2.117 0.645 1.00 92.13 C +HETATM 116 N HYP A 18 1.243 -0.010 0.438 1.00 90.47 N +HETATM 117 CA HYP A 18 2.568 -0.362 0.108 1.00 91.48 C +HETATM 118 C HYP A 18 2.961 -1.693 0.643 1.00 90.75 C +HETATM 119 O HYP A 18 2.459 -2.110 1.717 1.00 92.77 O +HETATM 120 CB HYP A 18 3.385 0.791 0.663 1.00 86.63 C +HETATM 121 CG HYP A 18 2.415 1.954 0.699 1.00 88.06 C +HETATM 122 CD HYP A 18 1.124 1.282 1.060 1.00 91.32 C +HETATM 123 OD1 HYP A 18 2.324 2.521 -0.585 1.00 88.91 O +ATOM 124 N GLY A 19 3.804 -2.379 -0.039 1.00 91.42 N +ATOM 125 CA GLY A 19 4.317 -3.624 0.454 1.00 90.95 C +ATOM 126 C GLY A 19 5.189 -3.403 1.671 1.00 91.20 C +ATOM 127 O GLY A 19 5.544 -2.277 2.006 1.00 91.74 O +ATOM 128 N PRO A 20 5.530 -4.482 2.343 1.00 89.64 N +ATOM 129 CA PRO A 20 6.377 -4.357 3.517 1.00 89.67 C +ATOM 130 C PRO A 20 7.787 -3.938 3.137 1.00 89.04 C +ATOM 131 O PRO A 20 8.213 -4.103 1.996 1.00 88.30 O +ATOM 132 CB PRO A 20 6.349 -5.759 4.118 1.00 87.04 C +ATOM 133 CG PRO A 20 6.061 -6.639 2.964 1.00 84.90 C +ATOM 134 CD PRO A 20 5.169 -5.857 2.054 1.00 88.64 C +HETATM 135 N HYP A 21 8.484 -3.385 4.120 1.00 89.29 N +HETATM 136 CA HYP A 21 9.852 -3.042 3.886 1.00 88.58 C +HETATM 137 C HYP A 21 10.699 -4.214 3.500 1.00 87.79 C +HETATM 138 O HYP A 21 10.457 -5.327 3.984 1.00 92.02 O +HETATM 139 CB HYP A 21 10.302 -2.439 5.217 1.00 86.27 C +HETATM 140 CG HYP A 21 9.034 -1.949 5.873 1.00 84.69 C +HETATM 141 CD HYP A 21 8.015 -2.956 5.437 1.00 89.37 C +HETATM 142 OD1 HYP A 21 8.700 -0.684 5.324 1.00 85.95 O +ATOM 143 N GLY A 22 11.602 -4.037 2.596 1.00 91.14 N +ATOM 144 CA GLY A 22 12.538 -5.066 2.260 1.00 89.76 C +ATOM 145 C GLY A 22 13.495 -5.301 3.418 1.00 89.44 C +ATOM 146 O GLY A 22 13.500 -4.550 4.392 1.00 89.32 O +ATOM 147 N PRO A 23 14.322 -6.320 3.330 1.00 91.91 N +ATOM 148 CA PRO A 23 15.286 -6.594 4.389 1.00 91.58 C +ATOM 149 C PRO A 23 16.430 -5.597 4.315 1.00 90.10 C +ATOM 150 O PRO A 23 17.334 -5.743 3.495 1.00 86.44 O +ATOM 151 CB PRO A 23 15.737 -8.015 4.087 1.00 88.59 C +ATOM 152 CG PRO A 23 15.562 -8.144 2.623 1.00 86.46 C +ATOM 153 CD PRO A 23 14.386 -7.284 2.254 1.00 90.53 C +HETATM 154 N HYP A 24 16.404 -4.552 5.014 1.00 92.48 N +HETATM 155 CA HYP A 24 17.000 -3.213 4.752 1.00 86.81 C +HETATM 156 C HYP A 24 16.655 -2.526 3.635 1.00 92.65 C +HETATM 157 O HYP A 24 16.716 -1.184 3.610 1.00 89.74 O +HETATM 158 CB HYP A 24 17.237 -2.598 6.057 1.00 85.85 C +HETATM 159 CG HYP A 24 17.415 -3.787 7.002 1.00 87.37 C +HETATM 160 CD HYP A 24 16.616 -4.934 6.352 1.00 90.54 C +HETATM 161 OD1 HYP A 24 16.930 -3.498 8.290 1.00 87.11 O +HETATM 162 OXT HYP A 24 17.437 -2.801 2.610 1.00 85.68 O +TER 163 HYP A 24 +END diff --git a/protein_pdb_541.txt b/protein_pdb_541.txt new file mode 100644 index 0000000000000000000000000000000000000000..855692c6704e4faddda8a26878067c5d4fbbc168 --- /dev/null +++ b/protein_pdb_541.txt @@ -0,0 +1,163 @@ +ATOM 1 N GLY A 1 11.541 -2.847 -10.863 1.00 83.23 N +ATOM 2 CA GLY A 1 10.753 -1.673 -10.758 1.00 83.03 C +ATOM 3 C GLY A 1 10.664 -1.066 -9.370 1.00 83.14 C +ATOM 4 O GLY A 1 11.174 -1.619 -8.396 1.00 79.92 O +ATOM 5 N PRO A 2 10.013 0.055 -9.289 1.00 88.63 N +ATOM 6 CA PRO A 2 9.855 0.780 -8.040 1.00 89.16 C +ATOM 7 C PRO A 2 8.830 0.133 -7.127 1.00 89.41 C +ATOM 8 O PRO A 2 8.102 -0.770 -7.526 1.00 86.65 O +ATOM 9 CB PRO A 2 9.391 2.158 -8.507 1.00 85.93 C +ATOM 10 CG PRO A 2 8.623 1.858 -9.747 1.00 82.48 C +ATOM 11 CD PRO A 2 9.375 0.737 -10.410 1.00 84.18 C +HETATM 12 N HYP A 3 8.799 0.637 -5.916 1.00 86.66 N +HETATM 13 CA HYP A 3 7.777 0.150 -4.986 1.00 87.45 C +HETATM 14 C HYP A 3 6.400 0.362 -5.508 1.00 90.49 C +HETATM 15 O HYP A 3 6.177 1.305 -6.303 1.00 91.89 O +HETATM 16 CB HYP A 3 8.051 0.996 -3.721 1.00 88.02 C +HETATM 17 CG HYP A 3 9.522 1.304 -3.830 1.00 81.82 C +HETATM 18 CD HYP A 3 9.710 1.539 -5.338 1.00 85.92 C +HETATM 19 OD1 HYP A 3 10.237 0.194 -3.420 1.00 86.91 O +ATOM 20 N GLY A 4 5.519 -0.525 -5.156 1.00 91.23 N +ATOM 21 CA GLY A 4 4.151 -0.394 -5.565 1.00 90.27 C +ATOM 22 C GLY A 4 3.502 0.796 -4.890 1.00 90.51 C +ATOM 23 O GLY A 4 4.093 1.445 -4.027 1.00 90.01 O +ATOM 24 N PRO A 5 2.266 1.091 -5.271 1.00 91.30 N +ATOM 25 CA PRO A 5 1.557 2.216 -4.679 1.00 90.69 C +ATOM 26 C PRO A 5 1.173 1.935 -3.236 1.00 90.60 C +ATOM 27 O PRO A 5 1.169 0.794 -2.789 1.00 89.27 O +ATOM 28 CB PRO A 5 0.326 2.361 -5.565 1.00 88.74 C +ATOM 29 CG PRO A 5 0.094 0.989 -6.095 1.00 86.52 C +ATOM 30 CD PRO A 5 1.459 0.396 -6.272 1.00 88.11 C +HETATM 31 N HYP A 6 0.846 3.010 -2.520 1.00 88.95 N +HETATM 32 CA HYP A 6 0.385 2.861 -1.156 1.00 92.68 C +HETATM 33 C HYP A 6 -0.823 1.990 -1.042 1.00 87.57 C +HETATM 34 O HYP A 6 -1.673 1.975 -1.984 1.00 92.67 O +HETATM 35 CB HYP A 6 0.090 4.295 -0.744 1.00 86.47 C +HETATM 36 CG HYP A 6 1.005 5.113 -1.613 1.00 85.51 C +HETATM 37 CD HYP A 6 0.939 4.381 -2.899 1.00 89.04 C +HETATM 38 OD1 HYP A 6 2.299 5.082 -1.097 1.00 89.09 O +ATOM 39 N GLY A 7 -0.853 1.198 -0.023 1.00 92.52 N +ATOM 40 CA GLY A 7 -1.984 0.344 0.197 1.00 90.96 C +ATOM 41 C GLY A 7 -3.226 1.155 0.508 1.00 91.01 C +ATOM 42 O GLY A 7 -3.177 2.377 0.631 1.00 90.52 O +ATOM 43 N PRO A 8 -4.347 0.473 0.628 1.00 93.64 N +ATOM 44 CA PRO A 8 -5.591 1.165 0.934 1.00 93.05 C +ATOM 45 C PRO A 8 -5.602 1.687 2.362 1.00 92.72 C +ATOM 46 O PRO A 8 -4.860 1.219 3.217 1.00 90.62 O +ATOM 47 CB PRO A 8 -6.655 0.089 0.729 1.00 91.52 C +ATOM 48 CG PRO A 8 -5.934 -1.181 1.018 1.00 90.84 C +ATOM 49 CD PRO A 8 -4.528 -0.963 0.520 1.00 92.71 C +HETATM 50 N HYP A 9 -6.454 2.645 2.622 1.00 86.17 N +HETATM 51 CA HYP A 9 -6.617 3.169 3.916 1.00 90.08 C +HETATM 52 C HYP A 9 -7.116 2.114 4.882 1.00 86.57 C +HETATM 53 O HYP A 9 -7.798 1.190 4.475 1.00 90.44 O +HETATM 54 CB HYP A 9 -7.709 4.232 3.724 1.00 84.97 C +HETATM 55 CG HYP A 9 -7.587 4.622 2.292 1.00 83.41 C +HETATM 56 CD HYP A 9 -7.234 3.358 1.636 1.00 88.74 C +HETATM 57 OD1 HYP A 9 -6.538 5.544 2.132 1.00 84.35 O +ATOM 58 N GLY A 10 -6.719 2.229 6.101 1.00 90.34 N +ATOM 59 CA GLY A 10 -7.315 1.389 7.113 1.00 87.67 C +ATOM 60 C GLY A 10 -8.753 1.819 7.322 1.00 88.03 C +ATOM 61 O GLY A 10 -9.326 2.570 6.526 1.00 86.04 O +ATOM 62 N LYS A 11 -9.338 1.362 8.400 1.00 87.37 N +ATOM 63 CA LYS A 11 -10.704 1.771 8.716 1.00 88.31 C +ATOM 64 C LYS A 11 -10.650 3.226 9.198 1.00 87.47 C +ATOM 65 O LYS A 11 -10.526 3.491 10.390 1.00 85.31 O +ATOM 66 CB LYS A 11 -11.297 0.835 9.763 1.00 85.02 C +ATOM 67 CG LYS A 11 -12.778 1.085 10.006 1.00 80.67 C +ATOM 68 CD LYS A 11 -13.452 -0.070 10.717 1.00 77.07 C +ATOM 69 CE LYS A 11 -13.058 -0.168 12.177 1.00 72.84 C +ATOM 70 NZ LYS A 11 -13.852 -1.212 12.879 1.00 67.00 N +ATOM 71 N TRP A 12 -10.693 4.137 8.235 1.00 84.29 N +ATOM 72 CA TRP A 12 -10.488 5.572 8.435 1.00 83.99 C +ATOM 73 C TRP A 12 -9.068 5.876 8.882 1.00 83.88 C +ATOM 74 O TRP A 12 -8.822 6.872 9.551 1.00 76.97 O +ATOM 75 CB TRP A 12 -11.526 6.160 9.399 1.00 81.53 C +ATOM 76 CG TRP A 12 -12.932 5.844 9.013 1.00 74.23 C +ATOM 77 CD1 TRP A 12 -13.812 5.068 9.703 1.00 73.04 C +ATOM 78 CD2 TRP A 12 -13.629 6.289 7.839 1.00 72.76 C +ATOM 79 NE1 TRP A 12 -15.008 4.995 9.038 1.00 64.30 N +ATOM 80 CE2 TRP A 12 -14.926 5.732 7.880 1.00 67.02 C +ATOM 81 CE3 TRP A 12 -13.282 7.101 6.762 1.00 63.75 C +ATOM 82 CZ2 TRP A 12 -15.872 5.977 6.882 1.00 72.00 C +ATOM 83 CZ3 TRP A 12 -14.213 7.330 5.776 1.00 64.89 C +ATOM 84 CH2 TRP A 12 -15.497 6.777 5.833 1.00 62.73 C +ATOM 85 N GLY A 13 -8.135 5.015 8.499 1.00 90.80 N +ATOM 86 CA GLY A 13 -6.744 5.178 8.854 1.00 89.40 C +ATOM 87 C GLY A 13 -5.894 5.573 7.665 1.00 89.14 C +ATOM 88 O GLY A 13 -6.401 5.783 6.570 1.00 87.88 O +ATOM 89 N PRO A 14 -4.596 5.699 7.885 1.00 93.41 N +ATOM 90 CA PRO A 14 -3.692 6.089 6.818 1.00 93.17 C +ATOM 91 C PRO A 14 -3.551 5.003 5.765 1.00 92.81 C +ATOM 92 O PRO A 14 -3.901 3.846 5.993 1.00 91.15 O +ATOM 93 CB PRO A 14 -2.367 6.326 7.538 1.00 91.59 C +ATOM 94 CG PRO A 14 -2.439 5.432 8.722 1.00 90.92 C +ATOM 95 CD PRO A 14 -3.883 5.435 9.137 1.00 92.07 C +HETATM 96 N HYP A 15 -3.036 5.407 4.631 1.00 90.58 N +HETATM 97 CA HYP A 15 -2.735 4.456 3.594 1.00 92.75 C +HETATM 98 C HYP A 15 -1.809 3.396 4.044 1.00 93.36 C +HETATM 99 O HYP A 15 -0.985 3.663 4.960 1.00 93.18 O +HETATM 100 CB HYP A 15 -2.196 5.348 2.488 1.00 88.37 C +HETATM 101 CG HYP A 15 -2.837 6.677 2.771 1.00 85.81 C +HETATM 102 CD HYP A 15 -2.846 6.745 4.258 1.00 90.77 C +HETATM 103 OD1 HYP A 15 -4.131 6.728 2.261 1.00 89.68 O +ATOM 104 N GLY A 16 -1.928 2.250 3.481 1.00 92.53 N +ATOM 105 CA GLY A 16 -1.019 1.187 3.777 1.00 92.09 C +ATOM 106 C GLY A 16 0.361 1.486 3.229 1.00 92.52 C +ATOM 107 O GLY A 16 0.563 2.473 2.527 1.00 91.67 O +ATOM 108 N PRO A 17 1.319 0.631 3.548 1.00 93.41 N +ATOM 109 CA PRO A 17 2.675 0.834 3.069 1.00 93.25 C +ATOM 110 C PRO A 17 2.781 0.583 1.576 1.00 93.41 C +ATOM 111 O PRO A 17 1.929 -0.074 0.981 1.00 92.07 O +ATOM 112 CB PRO A 17 3.492 -0.175 3.871 1.00 91.92 C +ATOM 113 CG PRO A 17 2.525 -1.254 4.186 1.00 90.41 C +ATOM 114 CD PRO A 17 1.198 -0.568 4.372 1.00 91.40 C +HETATM 115 N HYP A 18 3.802 1.121 0.977 1.00 89.66 N +HETATM 116 CA HYP A 18 4.089 0.841 -0.398 1.00 92.98 C +HETATM 117 C HYP A 18 4.250 -0.603 -0.672 1.00 91.87 C +HETATM 118 O HYP A 18 4.687 -1.373 0.214 1.00 91.94 O +HETATM 119 CB HYP A 18 5.329 1.650 -0.640 1.00 89.07 C +HETATM 120 CG HYP A 18 5.291 2.753 0.390 1.00 86.84 C +HETATM 121 CD HYP A 18 4.696 2.070 1.565 1.00 89.15 C +HETATM 122 OD1 HYP A 18 4.456 3.803 -0.036 1.00 90.39 O +ATOM 123 N GLY A 19 3.862 -1.008 -1.850 1.00 91.93 N +ATOM 124 CA GLY A 19 4.035 -2.366 -2.257 1.00 91.38 C +ATOM 125 C GLY A 19 5.506 -2.696 -2.437 1.00 91.61 C +ATOM 126 O GLY A 19 6.367 -1.820 -2.391 1.00 91.27 O +ATOM 127 N PRO A 20 5.799 -3.965 -2.649 1.00 89.43 N +ATOM 128 CA PRO A 20 7.180 -4.369 -2.854 1.00 88.28 C +ATOM 129 C PRO A 20 7.693 -3.901 -4.203 1.00 88.34 C +ATOM 130 O PRO A 20 6.918 -3.552 -5.091 1.00 86.49 O +ATOM 131 CB PRO A 20 7.108 -5.896 -2.776 1.00 86.06 C +ATOM 132 CG PRO A 20 5.725 -6.210 -3.212 1.00 85.09 C +ATOM 133 CD PRO A 20 4.871 -5.081 -2.713 1.00 86.88 C +HETATM 134 N HYP A 21 8.991 -3.891 -4.336 1.00 87.47 N +HETATM 135 CA HYP A 21 9.592 -3.567 -5.601 1.00 88.99 C +HETATM 136 C HYP A 21 9.110 -4.410 -6.747 1.00 87.39 C +HETATM 137 O HYP A 21 8.869 -5.599 -6.541 1.00 90.19 O +HETATM 138 CB HYP A 21 11.046 -3.785 -5.342 1.00 85.97 C +HETATM 139 CG HYP A 21 11.222 -3.566 -3.869 1.00 84.66 C +HETATM 140 CD HYP A 21 9.978 -4.127 -3.319 1.00 88.05 C +HETATM 141 OD1 HYP A 21 11.279 -2.174 -3.570 1.00 86.85 O +ATOM 142 N GLY A 22 8.885 -3.808 -7.888 1.00 89.83 N +ATOM 143 CA GLY A 22 8.469 -4.526 -9.056 1.00 88.19 C +ATOM 144 C GLY A 22 9.617 -5.342 -9.622 1.00 88.10 C +ATOM 145 O GLY A 22 10.751 -5.251 -9.148 1.00 86.00 O +ATOM 146 N PRO A 23 9.355 -6.125 -10.647 1.00 89.22 N +ATOM 147 CA PRO A 23 10.399 -6.929 -11.264 1.00 88.38 C +ATOM 148 C PRO A 23 11.327 -6.044 -12.090 1.00 87.52 C +ATOM 149 O PRO A 23 10.943 -5.548 -13.140 1.00 83.53 O +ATOM 150 CB PRO A 23 9.617 -7.918 -12.127 1.00 84.24 C +ATOM 151 CG PRO A 23 8.355 -7.198 -12.463 1.00 82.31 C +ATOM 152 CD PRO A 23 8.055 -6.330 -11.269 1.00 85.58 C +HETATM 153 N HYP A 24 12.473 -5.726 -11.593 1.00 84.58 N +HETATM 154 CA HYP A 24 13.293 -4.557 -12.014 1.00 73.70 C +HETATM 155 C HYP A 24 12.842 -3.362 -12.224 1.00 76.76 C +HETATM 156 O HYP A 24 13.456 -2.231 -12.094 1.00 76.49 O +HETATM 157 CB HYP A 24 14.695 -4.986 -12.084 1.00 76.91 C +HETATM 158 CG HYP A 24 14.691 -6.478 -11.841 1.00 79.74 C +HETATM 159 CD HYP A 24 13.245 -6.853 -11.432 1.00 83.01 C +HETATM 160 OD1 HYP A 24 15.539 -6.789 -10.775 1.00 80.45 O +HETATM 161 OXT HYP A 24 11.945 -3.249 -13.124 1.00 75.07 O +TER 162 HYP A 24 +END diff --git a/protein_pdb_542.txt b/protein_pdb_542.txt new file mode 100644 index 0000000000000000000000000000000000000000..62d6809d2a83e48b6876bba7e6bbc96cf617714d --- /dev/null +++ b/protein_pdb_542.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 8.559 -6.016 9.522 1.00 72.90 N +ATOM 2 CA GLY A 1 9.252 -5.479 8.363 1.00 75.13 C +ATOM 3 C GLY A 1 8.491 -4.331 7.743 1.00 76.22 C +ATOM 4 O GLY A 1 7.413 -3.969 8.217 1.00 73.07 O +ATOM 5 N PRO A 2 9.016 -3.768 6.687 1.00 74.02 N +ATOM 6 CA PRO A 2 8.372 -2.631 6.053 1.00 77.28 C +ATOM 7 C PRO A 2 7.114 -3.037 5.306 1.00 77.24 C +ATOM 8 O PRO A 2 6.895 -4.206 5.012 1.00 75.40 O +ATOM 9 CB PRO A 2 9.442 -2.115 5.086 1.00 73.50 C +ATOM 10 CG PRO A 2 10.250 -3.321 4.766 1.00 67.87 C +ATOM 11 CD PRO A 2 10.248 -4.161 6.010 1.00 68.10 C +HETATM 12 N HYP A 3 6.323 -2.097 5.046 1.00 80.66 N +HETATM 13 CA HYP A 3 5.125 -2.292 4.201 1.00 83.15 C +HETATM 14 C HYP A 3 5.470 -2.842 2.854 1.00 86.08 C +HETATM 15 O HYP A 3 6.573 -2.570 2.315 1.00 85.53 O +HETATM 16 CB HYP A 3 4.567 -0.845 4.115 1.00 84.16 C +HETATM 17 CG HYP A 3 5.050 -0.145 5.395 1.00 78.70 C +HETATM 18 CD HYP A 3 6.486 -0.719 5.541 1.00 81.34 C +HETATM 19 OD1 HYP A 3 4.292 -0.585 6.493 1.00 81.62 O +ATOM 20 N GLY A 4 4.600 -3.648 2.307 1.00 85.62 N +ATOM 21 CA GLY A 4 4.800 -4.169 0.981 1.00 84.59 C +ATOM 22 C GLY A 4 4.713 -3.074 -0.071 1.00 84.61 C +ATOM 23 O GLY A 4 4.335 -1.943 0.208 1.00 83.80 O +ATOM 24 N PRO A 5 5.070 -3.423 -1.295 1.00 84.62 N +ATOM 25 CA PRO A 5 5.022 -2.449 -2.373 1.00 84.38 C +ATOM 26 C PRO A 5 3.586 -2.100 -2.744 1.00 84.43 C +ATOM 27 O PRO A 5 2.660 -2.842 -2.461 1.00 81.64 O +ATOM 28 CB PRO A 5 5.735 -3.157 -3.521 1.00 80.53 C +ATOM 29 CG PRO A 5 5.534 -4.606 -3.243 1.00 77.98 C +ATOM 30 CD PRO A 5 5.508 -4.748 -1.754 1.00 79.25 C +HETATM 31 N HYP A 6 3.443 -0.964 -3.367 1.00 86.18 N +HETATM 32 CA HYP A 6 2.143 -0.576 -3.908 1.00 89.75 C +HETATM 33 C HYP A 6 1.627 -1.569 -4.893 1.00 88.58 C +HETATM 34 O HYP A 6 2.410 -2.219 -5.621 1.00 85.53 O +HETATM 35 CB HYP A 6 2.462 0.791 -4.560 1.00 86.65 C +HETATM 36 CG HYP A 6 3.644 1.320 -3.772 1.00 84.54 C +HETATM 37 CD HYP A 6 4.452 0.061 -3.536 1.00 85.12 C +HETATM 38 OD1 HYP A 6 3.211 1.840 -2.542 1.00 83.53 O +ATOM 39 N GLY A 7 0.334 -1.771 -4.911 1.00 86.51 N +ATOM 40 CA GLY A 7 -0.287 -2.641 -5.874 1.00 84.26 C +ATOM 41 C GLY A 7 -0.187 -2.085 -7.282 1.00 84.33 C +ATOM 42 O GLY A 7 0.269 -0.966 -7.503 1.00 83.03 O +ATOM 43 N PRO A 8 -0.623 -2.885 -8.243 1.00 84.61 N +ATOM 44 CA PRO A 8 -0.560 -2.438 -9.629 1.00 84.55 C +ATOM 45 C PRO A 8 -1.555 -1.325 -9.903 1.00 84.01 C +ATOM 46 O PRO A 8 -2.543 -1.162 -9.200 1.00 79.99 O +ATOM 47 CB PRO A 8 -0.888 -3.696 -10.427 1.00 80.40 C +ATOM 48 CG PRO A 8 -1.645 -4.556 -9.500 1.00 79.57 C +ATOM 49 CD PRO A 8 -1.180 -4.227 -8.110 1.00 80.55 C +HETATM 50 N HYP A 9 -1.269 -0.557 -10.938 1.00 81.45 N +HETATM 51 CA HYP A 9 -2.169 0.472 -11.363 1.00 85.17 C +HETATM 52 C HYP A 9 -3.461 -0.075 -11.841 1.00 80.77 C +HETATM 53 O HYP A 9 -3.535 -1.199 -12.326 1.00 79.73 O +HETATM 54 CB HYP A 9 -1.368 1.095 -12.555 1.00 78.36 C +HETATM 55 CG HYP A 9 0.082 0.825 -12.251 1.00 76.94 C +HETATM 56 CD HYP A 9 0.054 -0.539 -11.630 1.00 82.15 C +HETATM 57 OD1 HYP A 9 0.527 1.758 -11.271 1.00 80.39 O +ATOM 58 N GLY A 10 -4.563 0.617 -11.664 1.00 79.41 N +ATOM 59 CA GLY A 10 -5.835 0.276 -12.259 1.00 74.97 C +ATOM 60 C GLY A 10 -5.846 0.581 -13.740 1.00 75.41 C +ATOM 61 O GLY A 10 -4.805 0.788 -14.364 1.00 73.39 O +ATOM 62 N PHE A 11 -7.031 0.594 -14.313 1.00 76.24 N +ATOM 63 CA PHE A 11 -7.120 0.785 -15.757 1.00 79.84 C +ATOM 64 C PHE A 11 -6.464 2.085 -16.214 1.00 79.33 C +ATOM 65 O PHE A 11 -5.714 2.078 -17.188 1.00 77.26 O +ATOM 66 CB PHE A 11 -8.585 0.703 -16.200 1.00 77.45 C +ATOM 67 CG PHE A 11 -9.157 -0.674 -16.043 1.00 73.65 C +ATOM 68 CD1 PHE A 11 -8.741 -1.700 -16.874 1.00 70.97 C +ATOM 69 CD2 PHE A 11 -10.081 -0.953 -15.050 1.00 70.36 C +ATOM 70 CE1 PHE A 11 -9.240 -2.985 -16.724 1.00 67.96 C +ATOM 71 CE2 PHE A 11 -10.582 -2.237 -14.896 1.00 69.46 C +ATOM 72 CZ PHE A 11 -10.166 -3.249 -15.739 1.00 66.91 C +ATOM 73 N ASP A 12 -6.718 3.176 -15.514 1.00 76.96 N +ATOM 74 CA ASP A 12 -5.942 4.414 -15.618 1.00 79.59 C +ATOM 75 C ASP A 12 -5.544 4.899 -14.240 1.00 79.14 C +ATOM 76 O ASP A 12 -5.133 6.047 -14.079 1.00 73.52 O +ATOM 77 CB ASP A 12 -6.747 5.529 -16.305 1.00 75.65 C +ATOM 78 CG ASP A 12 -6.887 5.351 -17.809 1.00 70.12 C +ATOM 79 OD1 ASP A 12 -5.997 4.756 -18.430 1.00 68.85 O +ATOM 80 OD2 ASP A 12 -7.888 5.844 -18.357 1.00 65.98 O +ATOM 81 N GLY A 13 -5.703 4.070 -13.262 1.00 82.38 N +ATOM 82 CA GLY A 13 -5.740 4.511 -11.886 1.00 79.82 C +ATOM 83 C GLY A 13 -4.388 4.508 -11.213 1.00 80.73 C +ATOM 84 O GLY A 13 -3.388 4.064 -11.767 1.00 80.81 O +ATOM 85 N PRO A 14 -4.376 5.021 -10.007 1.00 85.64 N +ATOM 86 CA PRO A 14 -3.157 5.045 -9.224 1.00 85.38 C +ATOM 87 C PRO A 14 -2.765 3.650 -8.768 1.00 85.40 C +ATOM 88 O PRO A 14 -3.556 2.709 -8.826 1.00 81.43 O +ATOM 89 CB PRO A 14 -3.522 5.930 -8.035 1.00 81.45 C +ATOM 90 CG PRO A 14 -4.980 5.691 -7.851 1.00 79.54 C +ATOM 91 CD PRO A 14 -5.526 5.518 -9.244 1.00 79.95 C +HETATM 92 N HYP A 15 -1.565 3.587 -8.314 1.00 82.18 N +HETATM 93 CA HYP A 15 -1.118 2.344 -7.681 1.00 88.07 C +HETATM 94 C HYP A 15 -1.977 1.985 -6.516 1.00 85.98 C +HETATM 95 O HYP A 15 -2.551 2.871 -5.862 1.00 85.10 O +HETATM 96 CB HYP A 15 0.319 2.765 -7.263 1.00 79.81 C +HETATM 97 CG HYP A 15 0.716 3.845 -8.278 1.00 79.53 C +HETATM 98 CD HYP A 15 -0.554 4.615 -8.451 1.00 84.21 C +HETATM 99 OD1 HYP A 15 1.091 3.257 -9.494 1.00 83.18 O +ATOM 100 N GLY A 16 -2.109 0.718 -6.297 1.00 88.21 N +ATOM 101 CA GLY A 16 -2.814 0.266 -5.131 1.00 86.87 C +ATOM 102 C GLY A 16 -2.080 0.632 -3.855 1.00 87.90 C +ATOM 103 O GLY A 16 -0.956 1.136 -3.882 1.00 87.40 O +ATOM 104 N PRO A 17 -2.743 0.374 -2.734 1.00 87.31 N +ATOM 105 CA PRO A 17 -2.121 0.690 -1.458 1.00 86.88 C +ATOM 106 C PRO A 17 -0.955 -0.233 -1.166 1.00 88.11 C +ATOM 107 O PRO A 17 -0.839 -1.313 -1.736 1.00 85.67 O +ATOM 108 CB PRO A 17 -3.262 0.489 -0.453 1.00 83.53 C +ATOM 109 CG PRO A 17 -4.162 -0.489 -1.110 1.00 82.92 C +ATOM 110 CD PRO A 17 -4.065 -0.232 -2.582 1.00 83.83 C +HETATM 111 N HYP A 18 -0.113 0.209 -0.281 1.00 85.47 N +HETATM 112 CA HYP A 18 0.972 -0.617 0.176 1.00 89.75 C +HETATM 113 C HYP A 18 0.484 -1.908 0.759 1.00 87.18 C +HETATM 114 O HYP A 18 -0.608 -1.960 1.362 1.00 87.37 O +HETATM 115 CB HYP A 18 1.639 0.268 1.218 1.00 85.55 C +HETATM 116 CG HYP A 18 1.304 1.678 0.793 1.00 83.73 C +HETATM 117 CD HYP A 18 -0.109 1.548 0.280 1.00 88.03 C +HETATM 118 OD1 HYP A 18 2.154 2.062 -0.275 1.00 85.65 O +ATOM 119 N GLY A 19 1.222 -2.937 0.570 1.00 85.22 N +ATOM 120 CA GLY A 19 0.916 -4.194 1.187 1.00 83.95 C +ATOM 121 C GLY A 19 1.092 -4.130 2.694 1.00 84.12 C +ATOM 122 O GLY A 19 1.568 -3.141 3.248 1.00 83.27 O +ATOM 123 N PRO A 20 0.693 -5.203 3.357 1.00 81.60 N +ATOM 124 CA PRO A 20 0.830 -5.238 4.803 1.00 80.79 C +ATOM 125 C PRO A 20 2.292 -5.282 5.219 1.00 80.62 C +ATOM 126 O PRO A 20 3.162 -5.648 4.437 1.00 78.51 O +ATOM 127 CB PRO A 20 0.090 -6.511 5.203 1.00 77.20 C +ATOM 128 CG PRO A 20 -0.002 -7.316 3.970 1.00 74.31 C +ATOM 129 CD PRO A 20 0.118 -6.412 2.795 1.00 75.04 C +HETATM 130 N HYP A 21 2.532 -4.894 6.449 1.00 81.35 N +HETATM 131 CA HYP A 21 3.861 -4.976 6.982 1.00 83.48 C +HETATM 132 C HYP A 21 4.425 -6.376 6.957 1.00 81.69 C +HETATM 133 O HYP A 21 3.653 -7.330 7.130 1.00 82.00 O +HETATM 134 CB HYP A 21 3.743 -4.428 8.390 1.00 81.11 C +HETATM 135 CG HYP A 21 2.536 -3.494 8.346 1.00 79.41 C +HETATM 136 CD HYP A 21 1.604 -4.224 7.386 1.00 84.20 C +HETATM 137 OD1 HYP A 21 2.921 -2.272 7.707 1.00 81.88 O +ATOM 138 N GLY A 22 5.666 -6.529 6.617 1.00 77.42 N +ATOM 139 CA GLY A 22 6.307 -7.807 6.664 1.00 74.05 C +ATOM 140 C GLY A 22 6.465 -8.294 8.098 1.00 74.40 C +ATOM 141 O GLY A 22 6.071 -7.622 9.046 1.00 73.74 O +ATOM 142 N PRO A 23 7.055 -9.476 8.264 1.00 75.64 N +ATOM 143 CA PRO A 23 7.297 -9.983 9.607 1.00 78.05 C +ATOM 144 C PRO A 23 8.206 -9.044 10.383 1.00 77.24 C +ATOM 145 O PRO A 23 9.000 -8.317 9.791 1.00 72.36 O +ATOM 146 CB PRO A 23 7.983 -11.327 9.380 1.00 71.64 C +ATOM 147 CG PRO A 23 7.828 -11.621 7.948 1.00 66.36 C +ATOM 148 CD PRO A 23 7.584 -10.347 7.230 1.00 68.66 C +HETATM 149 N HYP A 24 8.177 -9.063 11.664 1.00 82.45 N +HETATM 150 CA HYP A 24 9.030 -8.144 12.375 1.00 79.94 C +HETATM 151 C HYP A 24 10.268 -7.770 11.753 1.00 79.28 C +HETATM 152 O HYP A 24 10.989 -8.729 11.392 1.00 78.65 O +HETATM 153 CB HYP A 24 8.919 -8.473 13.830 1.00 78.77 C +HETATM 154 CG HYP A 24 7.685 -9.369 13.938 1.00 77.80 C +HETATM 155 CD HYP A 24 7.517 -9.998 12.540 1.00 81.56 C +HETATM 156 OD1 HYP A 24 6.534 -8.545 14.149 1.00 78.42 O +HETATM 157 OXT HYP A 24 10.533 -6.532 11.620 1.00 73.45 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_543.txt b/protein_pdb_543.txt new file mode 100644 index 0000000000000000000000000000000000000000..2ea144dfadfbf1347c71ea9e174f1cf008cc3717 --- /dev/null +++ b/protein_pdb_543.txt @@ -0,0 +1,175 @@ +ATOM 1 N GLY A 1 7.090 -24.398 25.803 1.00 94.94 N +ATOM 2 CA GLY A 1 6.106 -23.343 26.016 1.00 95.93 C +ATOM 3 C GLY A 1 5.229 -23.151 24.800 1.00 96.40 C +ATOM 4 O GLY A 1 5.527 -23.680 23.735 1.00 95.62 O +ATOM 5 N PRO A 2 4.156 -22.378 24.922 1.00 97.43 N +ATOM 6 CA PRO A 2 3.253 -22.136 23.801 1.00 97.46 C +ATOM 7 C PRO A 2 3.887 -21.235 22.744 1.00 97.61 C +ATOM 8 O PRO A 2 4.797 -20.470 23.033 1.00 97.06 O +ATOM 9 CB PRO A 2 2.040 -21.468 24.457 1.00 96.43 C +ATOM 10 CG PRO A 2 2.654 -20.747 25.614 1.00 94.43 C +ATOM 11 CD PRO A 2 3.699 -21.709 26.130 1.00 96.28 C +HETATM 12 N HYP A 3 3.454 -21.354 21.591 1.00 96.05 N +HETATM 13 CA HYP A 3 3.869 -20.477 20.453 1.00 95.69 C +HETATM 14 C HYP A 3 3.607 -19.007 20.723 1.00 93.68 C +HETATM 15 O HYP A 3 2.648 -18.666 21.427 1.00 96.63 O +HETATM 16 CB HYP A 3 3.032 -20.983 19.295 1.00 93.98 C +HETATM 17 CG HYP A 3 2.623 -22.381 19.673 1.00 95.11 C +HETATM 18 CD HYP A 3 2.455 -22.335 21.213 1.00 96.08 C +HETATM 19 OD1 HYP A 3 3.604 -23.342 19.359 1.00 95.36 O +ATOM 20 N GLY A 4 4.434 -18.132 20.160 1.00 97.43 N +ATOM 21 CA GLY A 4 4.244 -16.714 20.329 1.00 97.07 C +ATOM 22 C GLY A 4 3.036 -16.236 19.536 1.00 97.03 C +ATOM 23 O GLY A 4 2.467 -16.994 18.744 1.00 96.96 O +ATOM 24 N PRO A 5 2.651 -14.973 19.724 1.00 97.64 N +ATOM 25 CA PRO A 5 1.496 -14.417 19.020 1.00 97.28 C +ATOM 26 C PRO A 5 1.797 -14.224 17.538 1.00 97.31 C +ATOM 27 O PRO A 5 2.952 -14.104 17.134 1.00 96.91 O +ATOM 28 CB PRO A 5 1.253 -13.093 19.724 1.00 96.56 C +ATOM 29 CG PRO A 5 2.627 -12.686 20.165 1.00 95.35 C +ATOM 30 CD PRO A 5 3.258 -13.995 20.612 1.00 96.92 C +HETATM 31 N HYP A 6 0.787 -14.194 16.759 1.00 95.99 N +HETATM 32 CA HYP A 6 0.932 -13.913 15.314 1.00 95.95 C +HETATM 33 C HYP A 6 1.548 -12.553 15.036 1.00 94.58 C +HETATM 34 O HYP A 6 1.268 -11.599 15.776 1.00 95.46 O +HETATM 35 CB HYP A 6 -0.555 -13.938 14.780 1.00 92.97 C +HETATM 36 CG HYP A 6 -1.311 -14.816 15.785 1.00 94.43 C +HETATM 37 CD HYP A 6 -0.608 -14.505 17.120 1.00 95.50 C +HETATM 38 OD1 HYP A 6 -1.157 -16.173 15.465 1.00 93.71 O +ATOM 39 N GLY A 7 2.355 -12.452 13.995 1.00 96.51 N +ATOM 40 CA GLY A 7 2.989 -11.201 13.647 1.00 96.05 C +ATOM 41 C GLY A 7 1.948 -10.161 13.266 1.00 95.99 C +ATOM 42 O GLY A 7 0.823 -10.483 12.889 1.00 96.34 O +ATOM 43 N ARG A 8 2.367 -8.884 13.347 1.00 96.26 N +ATOM 44 CA ARG A 8 1.466 -7.790 12.983 1.00 95.96 C +ATOM 45 C ARG A 8 1.212 -7.810 11.480 1.00 95.50 C +ATOM 46 O ARG A 8 2.076 -8.192 10.688 1.00 94.75 O +ATOM 47 CB ARG A 8 2.074 -6.441 13.363 1.00 94.78 C +ATOM 48 CG ARG A 8 2.091 -6.185 14.859 1.00 88.81 C +ATOM 49 CD ARG A 8 2.720 -4.827 15.153 1.00 85.36 C +ATOM 50 NE ARG A 8 2.686 -4.509 16.583 1.00 80.53 N +ATOM 51 CZ ARG A 8 1.638 -3.964 17.198 1.00 75.47 C +ATOM 52 NH1 ARG A 8 0.532 -3.675 16.531 1.00 71.98 N +ATOM 53 NH2 ARG A 8 1.704 -3.711 18.495 1.00 69.99 N +ATOM 54 N GLN A 9 0.015 -7.386 11.099 1.00 93.38 N +ATOM 55 CA GLN A 9 -0.340 -7.340 9.685 1.00 93.27 C +ATOM 56 C GLN A 9 0.530 -6.299 8.983 1.00 92.82 C +ATOM 57 O GLN A 9 0.821 -5.242 9.530 1.00 90.20 O +ATOM 58 CB GLN A 9 -1.821 -6.988 9.524 1.00 91.30 C +ATOM 59 CG GLN A 9 -2.294 -6.983 8.070 1.00 82.39 C +ATOM 60 CD GLN A 9 -3.780 -6.737 7.961 1.00 75.47 C +ATOM 61 OE1 GLN A 9 -4.361 -6.026 8.767 1.00 73.38 O +ATOM 62 NE2 GLN A 9 -4.414 -7.323 6.962 1.00 70.68 N +ATOM 63 N GLY A 10 0.953 -6.634 7.778 1.00 92.91 N +ATOM 64 CA GLY A 10 1.781 -5.710 7.021 1.00 92.07 C +ATOM 65 C GLY A 10 1.025 -4.449 6.651 1.00 91.88 C +ATOM 66 O GLY A 10 -0.212 -4.445 6.582 1.00 91.87 O +ATOM 67 N LYS A 11 1.760 -3.376 6.405 1.00 93.78 N +ATOM 68 CA LYS A 11 1.137 -2.107 6.026 1.00 93.82 C +ATOM 69 C LYS A 11 0.557 -2.217 4.618 1.00 93.30 C +ATOM 70 O LYS A 11 1.093 -2.921 3.764 1.00 92.45 O +ATOM 71 CB LYS A 11 2.164 -0.973 6.064 1.00 92.09 C +ATOM 72 CG LYS A 11 2.709 -0.681 7.452 1.00 86.88 C +ATOM 73 CD LYS A 11 3.729 0.454 7.411 1.00 83.45 C +ATOM 74 CE LYS A 11 4.295 0.741 8.792 1.00 77.66 C +ATOM 75 NZ LYS A 11 5.310 1.823 8.746 1.00 72.71 N +ATOM 76 N ARG A 12 -0.542 -1.515 4.379 1.00 93.02 N +ATOM 77 CA ARG A 12 -1.149 -1.500 3.058 1.00 94.45 C +ATOM 78 C ARG A 12 -0.257 -0.692 2.119 1.00 95.31 C +ATOM 79 O ARG A 12 0.288 0.339 2.505 1.00 93.57 O +ATOM 80 CB ARG A 12 -2.554 -0.883 3.126 1.00 91.28 C +ATOM 81 CG ARG A 12 -3.275 -0.876 1.790 1.00 82.86 C +ATOM 82 CD ARG A 12 -4.660 -0.262 1.913 1.00 80.05 C +ATOM 83 NE ARG A 12 -5.550 -1.093 2.717 1.00 73.28 N +ATOM 84 CZ ARG A 12 -6.177 -2.183 2.288 1.00 71.30 C +ATOM 85 NH1 ARG A 12 -6.027 -2.596 1.038 1.00 67.68 N +ATOM 86 NH2 ARG A 12 -6.962 -2.874 3.102 1.00 62.83 N +ATOM 87 N GLY A 13 -0.123 -1.189 0.901 1.00 91.95 N +ATOM 88 CA GLY A 13 0.693 -0.489 -0.073 1.00 91.46 C +ATOM 89 C GLY A 13 0.136 0.890 -0.379 1.00 92.43 C +ATOM 90 O GLY A 13 -1.072 1.120 -0.285 1.00 92.45 O +ATOM 91 N LYS A 14 1.025 1.818 -0.750 1.00 95.67 N +ATOM 92 CA LYS A 14 0.603 3.170 -1.091 1.00 96.19 C +ATOM 93 C LYS A 14 -0.097 3.171 -2.435 1.00 96.59 C +ATOM 94 O LYS A 14 0.143 2.304 -3.271 1.00 96.13 O +ATOM 95 CB LYS A 14 1.801 4.101 -1.146 1.00 94.29 C +ATOM 96 CG LYS A 14 2.465 4.313 0.196 1.00 87.03 C +ATOM 97 CD LYS A 14 3.630 5.267 0.102 1.00 83.93 C +ATOM 98 CE LYS A 14 4.284 5.492 1.452 1.00 77.34 C +ATOM 99 NZ LYS A 14 5.424 6.419 1.362 1.00 73.64 N +HETATM 100 N HYP A 15 -0.964 4.177 -2.678 1.00 92.56 N +HETATM 101 CA HYP A 15 -1.630 4.310 -3.945 1.00 93.51 C +HETATM 102 C HYP A 15 -0.638 4.532 -5.090 1.00 92.14 C +HETATM 103 O HYP A 15 0.447 5.097 -4.854 1.00 92.93 O +HETATM 104 CB HYP A 15 -2.543 5.514 -3.747 1.00 91.77 C +HETATM 105 CG HYP A 15 -2.800 5.536 -2.259 1.00 86.73 C +HETATM 106 CD HYP A 15 -1.511 5.085 -1.671 1.00 91.25 C +HETATM 107 OD1 HYP A 15 -3.834 4.674 -1.883 1.00 91.25 O +ATOM 108 N GLY A 16 -0.987 4.090 -6.252 1.00 96.72 N +ATOM 109 CA GLY A 16 -0.131 4.288 -7.386 1.00 96.29 C +ATOM 110 C GLY A 16 -0.108 5.753 -7.796 1.00 96.63 C +ATOM 111 O GLY A 16 -0.842 6.578 -7.246 1.00 97.00 O +ATOM 112 N PRO A 17 0.746 6.104 -8.778 1.00 97.21 N +ATOM 113 CA PRO A 17 0.850 7.480 -9.238 1.00 97.28 C +ATOM 114 C PRO A 17 -0.404 7.916 -9.976 1.00 97.33 C +ATOM 115 O PRO A 17 -1.158 7.089 -10.479 1.00 96.48 O +ATOM 116 CB PRO A 17 2.068 7.452 -10.158 1.00 96.27 C +ATOM 117 CG PRO A 17 2.045 6.064 -10.696 1.00 94.74 C +ATOM 118 CD PRO A 17 1.650 5.221 -9.505 1.00 96.61 C +HETATM 119 N HYP A 18 -0.617 9.199 -10.054 1.00 95.48 N +HETATM 120 CA HYP A 18 -1.710 9.755 -10.814 1.00 96.17 C +HETATM 121 C HYP A 18 -1.690 9.332 -12.276 1.00 95.39 C +HETATM 122 O HYP A 18 -0.591 9.130 -12.831 1.00 96.09 O +HETATM 123 CB HYP A 18 -1.540 11.252 -10.646 1.00 94.37 C +HETATM 124 CG HYP A 18 -0.803 11.421 -9.360 1.00 92.71 C +HETATM 125 CD HYP A 18 0.115 10.218 -9.323 1.00 94.64 C +HETATM 126 OD1 HYP A 18 -1.645 11.401 -8.247 1.00 93.38 O +ATOM 127 N GLY A 19 -2.844 9.163 -12.860 1.00 96.70 N +ATOM 128 CA GLY A 19 -2.923 8.773 -14.239 1.00 96.07 C +ATOM 129 C GLY A 19 -2.422 9.885 -15.142 1.00 96.24 C +ATOM 130 O GLY A 19 -2.176 11.008 -14.688 1.00 96.34 O +ATOM 131 N PRO A 20 -2.265 9.597 -16.444 1.00 96.92 N +ATOM 132 CA PRO A 20 -1.780 10.592 -17.393 1.00 96.69 C +ATOM 133 C PRO A 20 -2.812 11.682 -17.617 1.00 96.60 C +ATOM 134 O PRO A 20 -4.005 11.478 -17.418 1.00 95.61 O +ATOM 135 CB PRO A 20 -1.530 9.773 -18.656 1.00 95.29 C +ATOM 136 CG PRO A 20 -2.535 8.676 -18.546 1.00 93.49 C +ATOM 137 CD PRO A 20 -2.522 8.318 -17.078 1.00 95.95 C +HETATM 138 N HYP A 21 -2.354 12.839 -18.052 1.00 94.99 N +HETATM 139 CA HYP A 21 -3.254 13.924 -18.406 1.00 93.86 C +HETATM 140 C HYP A 21 -4.243 13.574 -19.491 1.00 94.09 C +HETATM 141 O HYP A 21 -3.932 12.710 -20.324 1.00 94.19 O +HETATM 142 CB HYP A 21 -2.253 15.011 -18.932 1.00 90.83 C +HETATM 143 CG HYP A 21 -0.931 14.733 -18.239 1.00 90.43 C +HETATM 144 CD HYP A 21 -0.922 13.219 -18.152 1.00 92.41 C +HETATM 145 OD1 HYP A 21 -0.900 15.269 -16.940 1.00 92.66 O +ATOM 146 N GLY A 22 -5.418 14.157 -19.508 1.00 96.02 N +ATOM 147 CA GLY A 22 -6.399 13.886 -20.519 1.00 95.87 C +ATOM 148 C GLY A 22 -5.927 14.403 -21.867 1.00 96.13 C +ATOM 149 O GLY A 22 -4.910 15.086 -21.958 1.00 96.28 O +ATOM 150 N PRO A 23 -6.667 14.109 -22.935 1.00 96.80 N +ATOM 151 CA PRO A 23 -6.289 14.542 -24.276 1.00 96.67 C +ATOM 152 C PRO A 23 -6.452 16.047 -24.438 1.00 96.70 C +ATOM 153 O PRO A 23 -7.321 16.662 -23.828 1.00 95.86 O +ATOM 154 CB PRO A 23 -7.239 13.767 -25.172 1.00 95.16 C +ATOM 155 CG PRO A 23 -8.450 13.607 -24.321 1.00 93.11 C +ATOM 156 CD PRO A 23 -7.885 13.326 -22.945 1.00 95.47 C +HETATM 157 N HYP A 24 -5.617 16.648 -25.313 1.00 92.97 N +HETATM 158 CA HYP A 24 -5.701 18.057 -25.586 1.00 94.19 C +HETATM 159 C HYP A 24 -6.967 18.428 -26.294 1.00 90.76 C +HETATM 160 O HYP A 24 -7.409 17.604 -27.159 1.00 93.90 O +HETATM 161 CB HYP A 24 -4.496 18.290 -26.631 1.00 88.64 C +HETATM 162 CG HYP A 24 -3.538 17.212 -26.363 1.00 88.83 C +HETATM 163 CD HYP A 24 -4.409 16.042 -25.920 1.00 90.71 C +HETATM 164 OD1 HYP A 24 -2.646 17.570 -25.338 1.00 90.86 O +ATOM 165 N GLY A 25 -7.628 19.483 -26.033 1.00 94.18 N +ATOM 166 CA GLY A 25 -8.761 19.951 -26.792 1.00 92.75 C +ATOM 167 C GLY A 25 -10.006 19.083 -26.705 1.00 90.67 C +ATOM 168 O GLY A 25 -11.004 19.393 -27.340 1.00 88.05 O +ATOM 169 N GLY A 26 -9.963 18.005 -25.942 1.00 83.90 N +ATOM 170 CA GLY A 26 -11.099 17.122 -25.800 1.00 77.90 C +ATOM 171 C GLY A 26 -10.814 15.704 -26.254 1.00 73.60 C +ATOM 172 O GLY A 26 -9.836 15.461 -26.956 1.00 70.64 O +ATOM 173 OXT GLY A 26 -11.583 14.780 -25.870 1.00 69.61 O +TER 174 GLY A 26 +END diff --git a/protein_pdb_544.txt b/protein_pdb_544.txt new file mode 100644 index 0000000000000000000000000000000000000000..31317f0e8b831d0e2e2425426c0ef1ad6ccb9973 --- /dev/null +++ b/protein_pdb_544.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 11.121 2.072 -11.061 1.00 89.60 N +ATOM 2 CA GLY A 1 10.662 3.166 -10.247 1.00 90.53 C +ATOM 3 C GLY A 1 10.532 2.782 -8.795 1.00 91.32 C +ATOM 4 O GLY A 1 10.690 1.619 -8.435 1.00 89.52 O +ATOM 5 N PRO A 2 10.227 3.693 -8.007 1.00 88.92 N +ATOM 6 CA PRO A 2 10.074 3.435 -6.582 1.00 89.58 C +ATOM 7 C PRO A 2 8.806 2.662 -6.282 1.00 89.44 C +ATOM 8 O PRO A 2 7.909 2.571 -7.109 1.00 86.77 O +ATOM 9 CB PRO A 2 10.028 4.839 -5.990 1.00 85.83 C +ATOM 10 CG PRO A 2 9.454 5.660 -7.082 1.00 82.24 C +ATOM 11 CD PRO A 2 10.017 5.093 -8.352 1.00 84.83 C +HETATM 12 N HYP A 3 8.769 2.106 -5.097 1.00 87.96 N +HETATM 13 CA HYP A 3 7.545 1.407 -4.682 1.00 88.05 C +HETATM 14 C HYP A 3 6.364 2.336 -4.658 1.00 89.38 C +HETATM 15 O HYP A 3 6.535 3.553 -4.425 1.00 91.61 O +HETATM 16 CB HYP A 3 7.907 0.994 -3.217 1.00 87.35 C +HETATM 17 CG HYP A 3 9.399 0.848 -3.241 1.00 86.02 C +HETATM 18 CD HYP A 3 9.831 2.018 -4.162 1.00 89.26 C +HETATM 19 OD1 HYP A 3 9.714 -0.368 -3.842 1.00 87.47 O +ATOM 20 N GLY A 4 5.222 1.774 -4.987 1.00 92.42 N +ATOM 21 CA GLY A 4 4.015 2.549 -4.951 1.00 91.69 C +ATOM 22 C GLY A 4 3.674 2.971 -3.539 1.00 92.41 C +ATOM 23 O GLY A 4 4.261 2.493 -2.571 1.00 92.43 O +ATOM 24 N PRO A 5 2.722 3.873 -3.407 1.00 90.12 N +ATOM 25 CA PRO A 5 2.325 4.345 -2.088 1.00 89.58 C +ATOM 26 C PRO A 5 1.581 3.270 -1.317 1.00 89.33 C +ATOM 27 O PRO A 5 1.058 2.324 -1.892 1.00 88.34 O +ATOM 28 CB PRO A 5 1.429 5.536 -2.390 1.00 87.42 C +ATOM 29 CG PRO A 5 0.845 5.206 -3.718 1.00 85.45 C +ATOM 30 CD PRO A 5 1.938 4.507 -4.466 1.00 88.35 C +HETATM 31 N HYP A 6 1.554 3.449 -0.010 1.00 90.98 N +HETATM 32 CA HYP A 6 0.784 2.530 0.813 1.00 92.85 C +HETATM 33 C HYP A 6 -0.674 2.573 0.468 1.00 93.28 C +HETATM 34 O HYP A 6 -1.201 3.632 0.048 1.00 91.07 O +HETATM 35 CB HYP A 6 0.988 3.173 2.235 1.00 88.62 C +HETATM 36 CG HYP A 6 2.307 3.886 2.122 1.00 86.68 C +HETATM 37 CD HYP A 6 2.253 4.465 0.719 1.00 89.90 C +HETATM 38 OD1 HYP A 6 3.348 2.939 2.205 1.00 88.47 O +ATOM 39 N GLY A 7 -1.291 1.429 0.552 1.00 92.71 N +ATOM 40 CA GLY A 7 -2.701 1.355 0.287 1.00 91.86 C +ATOM 41 C GLY A 7 -3.484 2.127 1.326 1.00 92.33 C +ATOM 42 O GLY A 7 -2.952 2.541 2.354 1.00 92.32 O +ATOM 43 N PRO A 8 -4.756 2.334 1.059 1.00 90.91 N +ATOM 44 CA PRO A 8 -5.586 3.052 2.015 1.00 90.85 C +ATOM 45 C PRO A 8 -5.871 2.197 3.235 1.00 90.81 C +ATOM 46 O PRO A 8 -5.727 0.980 3.211 1.00 89.67 O +ATOM 47 CB PRO A 8 -6.859 3.330 1.227 1.00 88.70 C +ATOM 48 CG PRO A 8 -6.928 2.202 0.271 1.00 87.72 C +ATOM 49 CD PRO A 8 -5.503 1.919 -0.117 1.00 89.48 C +HETATM 50 N HYP A 9 -6.273 2.858 4.315 1.00 90.75 N +HETATM 51 CA HYP A 9 -6.669 2.134 5.477 1.00 88.87 C +HETATM 52 C HYP A 9 -7.851 1.263 5.208 1.00 92.17 C +HETATM 53 O HYP A 9 -8.700 1.602 4.374 1.00 90.22 O +HETATM 54 CB HYP A 9 -7.062 3.254 6.473 1.00 84.86 C +HETATM 55 CG HYP A 9 -6.290 4.434 6.032 1.00 85.56 C +HETATM 56 CD HYP A 9 -6.267 4.315 4.547 1.00 89.25 C +HETATM 57 OD1 HYP A 9 -4.976 4.329 6.523 1.00 85.07 O +ATOM 58 N GLY A 10 -7.930 0.132 5.817 1.00 92.91 N +ATOM 59 CA GLY A 10 -9.137 -0.658 5.770 1.00 91.13 C +ATOM 60 C GLY A 10 -10.234 0.060 6.527 1.00 92.07 C +ATOM 61 O GLY A 10 -10.071 1.199 6.969 1.00 90.66 O +ATOM 62 N LEU A 11 -11.360 -0.616 6.704 1.00 92.04 N +ATOM 63 CA LEU A 11 -12.460 -0.008 7.432 1.00 92.99 C +ATOM 64 C LEU A 11 -12.001 0.524 8.782 1.00 92.68 C +ATOM 65 O LEU A 11 -12.427 1.590 9.224 1.00 91.17 O +ATOM 66 CB LEU A 11 -13.569 -1.047 7.617 1.00 91.39 C +ATOM 67 CG LEU A 11 -14.799 -0.567 8.363 1.00 86.44 C +ATOM 68 CD1 LEU A 11 -15.469 0.569 7.637 1.00 86.01 C +ATOM 69 CD2 LEU A 11 -15.765 -1.726 8.555 1.00 82.43 C +ATOM 70 N PHE A 12 -11.114 -0.221 9.417 1.00 90.64 N +ATOM 71 CA PHE A 12 -10.552 0.187 10.700 1.00 92.23 C +ATOM 72 C PHE A 12 -9.133 -0.347 10.861 1.00 92.74 C +ATOM 73 O PHE A 12 -8.631 -0.497 11.966 1.00 90.44 O +ATOM 74 CB PHE A 12 -11.451 -0.324 11.828 1.00 90.77 C +ATOM 75 CG PHE A 12 -11.197 0.309 13.156 1.00 87.52 C +ATOM 76 CD1 PHE A 12 -11.418 1.658 13.346 1.00 83.87 C +ATOM 77 CD2 PHE A 12 -10.724 -0.436 14.221 1.00 82.37 C +ATOM 78 CE1 PHE A 12 -11.178 2.257 14.568 1.00 82.07 C +ATOM 79 CE2 PHE A 12 -10.487 0.156 15.455 1.00 84.49 C +ATOM 80 CZ PHE A 12 -10.711 1.504 15.621 1.00 83.74 C +ATOM 81 N GLY A 13 -8.487 -0.638 9.745 1.00 93.78 N +ATOM 82 CA GLY A 13 -7.192 -1.280 9.780 1.00 93.32 C +ATOM 83 C GLY A 13 -6.064 -0.385 9.328 1.00 93.93 C +ATOM 84 O GLY A 13 -6.278 0.761 8.937 1.00 93.87 O +ATOM 85 N PRO A 14 -4.852 -0.911 9.381 1.00 93.14 N +ATOM 86 CA PRO A 14 -3.687 -0.157 8.953 1.00 92.88 C +ATOM 87 C PRO A 14 -3.675 0.028 7.448 1.00 93.10 C +ATOM 88 O PRO A 14 -4.415 -0.627 6.723 1.00 91.64 O +ATOM 89 CB PRO A 14 -2.516 -1.023 9.410 1.00 91.08 C +ATOM 90 CG PRO A 14 -3.062 -2.404 9.355 1.00 90.42 C +ATOM 91 CD PRO A 14 -4.495 -2.272 9.781 1.00 91.74 C +HETATM 92 N HYP A 15 -2.808 0.909 7.027 1.00 92.28 N +HETATM 93 CA HYP A 15 -2.640 1.084 5.605 1.00 93.07 C +HETATM 94 C HYP A 15 -2.192 -0.164 4.926 1.00 93.78 C +HETATM 95 O HYP A 15 -1.517 -0.997 5.567 1.00 92.86 O +HETATM 96 CB HYP A 15 -1.531 2.160 5.567 1.00 88.49 C +HETATM 97 CG HYP A 15 -1.659 2.885 6.889 1.00 88.14 C +HETATM 98 CD HYP A 15 -2.020 1.775 7.847 1.00 91.54 C +HETATM 99 OD1 HYP A 15 -2.697 3.825 6.827 1.00 89.42 O +ATOM 100 N GLY A 16 -2.576 -0.339 3.703 1.00 95.01 N +ATOM 101 CA GLY A 16 -2.128 -1.471 2.947 1.00 94.67 C +ATOM 102 C GLY A 16 -0.639 -1.397 2.686 1.00 94.90 C +ATOM 103 O GLY A 16 -0.003 -0.374 2.938 1.00 94.60 O +ATOM 104 N PRO A 17 -0.076 -2.492 2.176 1.00 92.11 N +ATOM 105 CA PRO A 17 1.350 -2.512 1.899 1.00 91.58 C +ATOM 106 C PRO A 17 1.702 -1.616 0.728 1.00 92.01 C +ATOM 107 O PRO A 17 0.849 -1.265 -0.082 1.00 90.54 O +ATOM 108 CB PRO A 17 1.625 -3.982 1.586 1.00 89.87 C +ATOM 109 CG PRO A 17 0.334 -4.477 1.057 1.00 88.80 C +ATOM 110 CD PRO A 17 -0.724 -3.754 1.828 1.00 90.31 C +HETATM 111 N HYP A 18 2.961 -1.251 0.652 1.00 89.77 N +HETATM 112 CA HYP A 18 3.432 -0.496 -0.467 1.00 90.15 C +HETATM 113 C HYP A 18 3.251 -1.228 -1.766 1.00 90.68 C +HETATM 114 O HYP A 18 3.294 -2.474 -1.794 1.00 89.99 O +HETATM 115 CB HYP A 18 4.940 -0.362 -0.151 1.00 86.63 C +HETATM 116 CG HYP A 18 5.006 -0.438 1.357 1.00 85.71 C +HETATM 117 CD HYP A 18 3.953 -1.486 1.665 1.00 90.25 C +HETATM 118 OD1 HYP A 18 4.601 0.807 1.925 1.00 87.16 O +ATOM 119 N GLY A 19 2.986 -0.514 -2.810 1.00 87.72 N +ATOM 120 CA GLY A 19 2.857 -1.103 -4.111 1.00 87.55 C +ATOM 121 C GLY A 19 4.195 -1.608 -4.616 1.00 87.82 C +ATOM 122 O GLY A 19 5.240 -1.323 -4.038 1.00 88.91 O +ATOM 123 N PRO A 20 4.163 -2.368 -5.695 1.00 84.40 N +ATOM 124 CA PRO A 20 5.395 -2.894 -6.262 1.00 84.49 C +ATOM 125 C PRO A 20 6.208 -1.784 -6.906 1.00 84.32 C +ATOM 126 O PRO A 20 5.699 -0.710 -7.204 1.00 85.20 O +ATOM 127 CB PRO A 20 4.905 -3.904 -7.289 1.00 82.52 C +ATOM 128 CG PRO A 20 3.584 -3.366 -7.708 1.00 80.45 C +ATOM 129 CD PRO A 20 2.994 -2.754 -6.470 1.00 83.07 C +HETATM 130 N HYP A 21 7.500 -2.075 -7.101 1.00 89.15 N +HETATM 131 CA HYP A 21 8.318 -1.139 -7.815 1.00 89.48 C +HETATM 132 C HYP A 21 7.797 -0.802 -9.190 1.00 89.09 C +HETATM 133 O HYP A 21 7.219 -1.671 -9.845 1.00 92.01 O +HETATM 134 CB HYP A 21 9.674 -1.851 -7.911 1.00 86.77 C +HETATM 135 CG HYP A 21 9.698 -2.761 -6.722 1.00 82.34 C +HETATM 136 CD HYP A 21 8.266 -3.226 -6.617 1.00 89.61 C +HETATM 137 OD1 HYP A 21 10.001 -2.002 -5.549 1.00 82.33 O +ATOM 138 N GLY A 22 7.899 0.444 -9.574 1.00 88.22 N +ATOM 139 CA GLY A 22 7.485 0.857 -10.879 1.00 86.35 C +ATOM 140 C GLY A 22 8.449 0.342 -11.931 1.00 86.30 C +ATOM 141 O GLY A 22 9.484 -0.245 -11.614 1.00 86.54 O +ATOM 142 N PRO A 23 8.136 0.569 -13.203 1.00 90.04 N +ATOM 143 CA PRO A 23 9.020 0.121 -14.269 1.00 89.45 C +ATOM 144 C PRO A 23 10.319 0.897 -14.235 1.00 87.94 C +ATOM 145 O PRO A 23 10.314 2.121 -14.172 1.00 84.25 O +ATOM 146 CB PRO A 23 8.216 0.392 -15.532 1.00 85.69 C +ATOM 147 CG PRO A 23 7.321 1.509 -15.154 1.00 82.89 C +ATOM 148 CD PRO A 23 6.977 1.277 -13.706 1.00 86.39 C +HETATM 149 N HYP A 24 11.391 0.286 -14.243 1.00 92.55 N +HETATM 150 CA HYP A 24 12.712 0.930 -13.962 1.00 86.64 C +HETATM 151 C HYP A 24 12.770 2.004 -13.053 1.00 90.28 C +HETATM 152 O HYP A 24 13.836 2.509 -12.620 1.00 88.67 O +HETATM 153 CB HYP A 24 13.648 0.377 -14.821 1.00 87.56 C +HETATM 154 CG HYP A 24 12.866 -0.434 -15.841 1.00 86.82 C +HETATM 155 CD HYP A 24 11.461 -0.614 -15.265 1.00 91.43 C +HETATM 156 OD1 HYP A 24 13.419 -1.702 -16.018 1.00 85.73 O +HETATM 157 OXT HYP A 24 11.888 2.707 -12.713 1.00 86.99 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_545.txt b/protein_pdb_545.txt new file mode 100644 index 0000000000000000000000000000000000000000..c8f5ad4300438d66d717675a41954c335e927c47 --- /dev/null +++ b/protein_pdb_545.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -5.996 15.496 -0.006 1.00 88.84 N +ATOM 2 CA GLY A 1 -6.501 14.312 -0.609 1.00 89.54 C +ATOM 3 C GLY A 1 -6.696 13.174 0.371 1.00 90.22 C +ATOM 4 O GLY A 1 -6.159 13.199 1.478 1.00 87.84 O +ATOM 5 N PRO A 2 -7.414 12.194 -0.013 1.00 88.83 N +ATOM 6 CA PRO A 2 -7.663 11.052 0.846 1.00 89.29 C +ATOM 7 C PRO A 2 -6.461 10.131 0.917 1.00 88.91 C +ATOM 8 O PRO A 2 -5.556 10.205 0.094 1.00 86.12 O +ATOM 9 CB PRO A 2 -8.848 10.373 0.170 1.00 85.59 C +ATOM 10 CG PRO A 2 -8.672 10.709 -1.263 1.00 83.00 C +ATOM 11 CD PRO A 2 -8.113 12.099 -1.285 1.00 85.31 C +HETATM 12 N HYP A 3 -6.490 9.257 1.910 1.00 89.85 N +HETATM 13 CA HYP A 3 -5.419 8.271 2.030 1.00 87.65 C +HETATM 14 C HYP A 3 -5.428 7.312 0.834 1.00 88.39 C +HETATM 15 O HYP A 3 -6.499 7.068 0.236 1.00 91.61 O +HETATM 16 CB HYP A 3 -5.881 7.468 3.307 1.00 86.97 C +HETATM 17 CG HYP A 3 -6.673 8.483 4.112 1.00 82.64 C +HETATM 18 CD HYP A 3 -7.411 9.288 3.008 1.00 88.68 C +HETATM 19 OD1 HYP A 3 -5.783 9.328 4.769 1.00 86.49 O +ATOM 20 N GLY A 4 -4.260 6.883 0.468 1.00 91.70 N +ATOM 21 CA GLY A 4 -4.147 5.934 -0.607 1.00 91.18 C +ATOM 22 C GLY A 4 -4.709 4.583 -0.226 1.00 92.21 C +ATOM 23 O GLY A 4 -5.055 4.335 0.926 1.00 92.20 O +ATOM 24 N PRO A 5 -4.807 3.683 -1.199 1.00 90.60 N +ATOM 25 CA PRO A 5 -5.333 2.354 -0.927 1.00 90.16 C +ATOM 26 C PRO A 5 -4.356 1.524 -0.117 1.00 90.14 C +ATOM 27 O PRO A 5 -3.170 1.834 -0.042 1.00 88.44 O +ATOM 28 CB PRO A 5 -5.541 1.770 -2.316 1.00 88.13 C +ATOM 29 CG PRO A 5 -4.517 2.458 -3.148 1.00 87.07 C +ATOM 30 CD PRO A 5 -4.411 3.850 -2.592 1.00 89.66 C +HETATM 31 N HYP A 6 -4.893 0.456 0.483 1.00 91.16 N +HETATM 32 CA HYP A 6 -4.023 -0.475 1.180 1.00 93.36 C +HETATM 33 C HYP A 6 -2.986 -1.073 0.261 1.00 92.59 C +HETATM 34 O HYP A 6 -3.238 -1.243 -0.955 1.00 91.38 O +HETATM 35 CB HYP A 6 -5.037 -1.573 1.643 1.00 87.00 C +HETATM 36 CG HYP A 6 -6.355 -0.851 1.744 1.00 86.48 C +HETATM 37 CD HYP A 6 -6.297 0.114 0.562 1.00 89.73 C +HETATM 38 OD1 HYP A 6 -6.396 -0.117 2.948 1.00 87.56 O +ATOM 39 N GLY A 7 -1.822 -1.307 0.791 1.00 91.50 N +ATOM 40 CA GLY A 7 -0.770 -1.920 0.028 1.00 90.36 C +ATOM 41 C GLY A 7 -1.111 -3.347 -0.348 1.00 91.02 C +ATOM 42 O GLY A 7 -2.097 -3.917 0.112 1.00 90.63 O +ATOM 43 N PRO A 8 -0.284 -3.936 -1.189 1.00 90.70 N +ATOM 44 CA PRO A 8 -0.529 -5.313 -1.601 1.00 90.36 C +ATOM 45 C PRO A 8 -0.290 -6.290 -0.463 1.00 90.53 C +ATOM 46 O PRO A 8 0.418 -5.996 0.491 1.00 88.67 O +ATOM 47 CB PRO A 8 0.449 -5.528 -2.752 1.00 87.97 C +ATOM 48 CG PRO A 8 1.503 -4.521 -2.546 1.00 87.32 C +ATOM 49 CD PRO A 8 0.888 -3.363 -1.829 1.00 89.32 C +HETATM 50 N HYP A 9 -0.885 -7.478 -0.584 1.00 89.35 N +HETATM 51 CA HYP A 9 -0.710 -8.496 0.392 1.00 87.79 C +HETATM 52 C HYP A 9 0.721 -8.973 0.470 1.00 90.85 C +HETATM 53 O HYP A 9 1.438 -8.979 -0.544 1.00 89.05 O +HETATM 54 CB HYP A 9 -1.570 -9.686 -0.137 1.00 81.86 C +HETATM 55 CG HYP A 9 -2.581 -9.055 -1.002 1.00 84.72 C +HETATM 56 CD HYP A 9 -1.882 -7.880 -1.615 1.00 88.70 C +HETATM 57 OD1 HYP A 9 -3.641 -8.592 -0.192 1.00 83.37 O +ATOM 58 N GLY A 10 1.209 -9.303 1.625 1.00 91.46 N +ATOM 59 CA GLY A 10 2.471 -9.981 1.755 1.00 88.69 C +ATOM 60 C GLY A 10 2.344 -11.417 1.258 1.00 88.91 C +ATOM 61 O GLY A 10 1.340 -11.803 0.658 1.00 87.48 O +ATOM 62 N VAL A 11 3.362 -12.222 1.524 1.00 90.29 N +ATOM 63 CA VAL A 11 3.306 -13.614 1.092 1.00 90.98 C +ATOM 64 C VAL A 11 2.062 -14.289 1.658 1.00 90.26 C +ATOM 65 O VAL A 11 1.281 -14.905 0.929 1.00 89.34 O +ATOM 66 CB VAL A 11 4.591 -14.355 1.489 1.00 89.10 C +ATOM 67 CG1 VAL A 11 4.518 -15.805 1.062 1.00 83.84 C +ATOM 68 CG2 VAL A 11 5.796 -13.682 0.862 1.00 83.97 C +ATOM 69 N PHE A 12 1.881 -14.146 2.963 1.00 88.39 N +ATOM 70 CA PHE A 12 0.673 -14.610 3.633 1.00 89.89 C +ATOM 71 C PHE A 12 0.021 -13.498 4.447 1.00 90.52 C +ATOM 72 O PHE A 12 -1.044 -13.709 5.027 1.00 87.82 O +ATOM 73 CB PHE A 12 0.986 -15.787 4.558 1.00 87.91 C +ATOM 74 CG PHE A 12 1.464 -17.012 3.833 1.00 84.30 C +ATOM 75 CD1 PHE A 12 0.582 -17.777 3.090 1.00 80.01 C +ATOM 76 CD2 PHE A 12 2.793 -17.396 3.880 1.00 78.27 C +ATOM 77 CE1 PHE A 12 1.011 -18.900 2.405 1.00 77.93 C +ATOM 78 CE2 PHE A 12 3.231 -18.528 3.201 1.00 80.24 C +ATOM 79 CZ PHE A 12 2.333 -19.279 2.469 1.00 78.64 C +ATOM 80 N GLY A 13 0.658 -12.366 4.510 1.00 93.29 N +ATOM 81 CA GLY A 13 0.206 -11.290 5.355 1.00 92.74 C +ATOM 82 C GLY A 13 -0.919 -10.472 4.763 1.00 93.54 C +ATOM 83 O GLY A 13 -1.270 -10.622 3.589 1.00 93.40 O +ATOM 84 N PRO A 14 -1.480 -9.606 5.579 1.00 93.72 N +ATOM 85 CA PRO A 14 -2.571 -8.747 5.141 1.00 93.45 C +ATOM 86 C PRO A 14 -2.073 -7.631 4.239 1.00 93.72 C +ATOM 87 O PRO A 14 -0.872 -7.413 4.085 1.00 92.68 O +ATOM 88 CB PRO A 14 -3.121 -8.187 6.452 1.00 92.24 C +ATOM 89 CG PRO A 14 -1.927 -8.133 7.335 1.00 91.28 C +ATOM 90 CD PRO A 14 -1.107 -9.337 6.973 1.00 92.27 C +HETATM 91 N HYP A 15 -3.042 -6.935 3.653 1.00 92.45 N +HETATM 92 CA HYP A 15 -2.690 -5.760 2.904 1.00 93.85 C +HETATM 93 C HYP A 15 -1.935 -4.764 3.712 1.00 94.27 C +HETATM 94 O HYP A 15 -2.116 -4.717 4.955 1.00 93.17 O +HETATM 95 CB HYP A 15 -4.107 -5.237 2.526 1.00 90.78 C +HETATM 96 CG HYP A 15 -4.970 -6.468 2.484 1.00 89.05 C +HETATM 97 CD HYP A 15 -4.453 -7.294 3.645 1.00 91.50 C +HETATM 98 OD1 HYP A 15 -4.784 -7.153 1.288 1.00 89.09 O +ATOM 99 N GLY A 16 -1.069 -4.044 3.085 1.00 94.42 N +ATOM 100 CA GLY A 16 -0.335 -3.021 3.769 1.00 93.95 C +ATOM 101 C GLY A 16 -1.240 -1.887 4.204 1.00 94.34 C +ATOM 102 O GLY A 16 -2.428 -1.851 3.863 1.00 93.91 O +ATOM 103 N PRO A 17 -0.679 -0.954 4.963 1.00 91.83 N +ATOM 104 CA PRO A 17 -1.474 0.177 5.426 1.00 91.38 C +ATOM 105 C PRO A 17 -1.838 1.109 4.275 1.00 91.83 C +ATOM 106 O PRO A 17 -1.226 1.076 3.211 1.00 89.98 O +ATOM 107 CB PRO A 17 -0.558 0.865 6.433 1.00 89.76 C +ATOM 108 CG PRO A 17 0.802 0.466 6.037 1.00 88.65 C +ATOM 109 CD PRO A 17 0.697 -0.896 5.436 1.00 90.19 C +HETATM 110 N HYP A 18 -2.871 1.920 4.494 1.00 87.68 N +HETATM 111 CA HYP A 18 -3.222 2.903 3.541 1.00 88.69 C +HETATM 112 C HYP A 18 -2.108 3.848 3.231 1.00 89.29 C +HETATM 113 O HYP A 18 -1.260 4.125 4.118 1.00 89.28 O +HETATM 114 CB HYP A 18 -4.374 3.655 4.257 1.00 85.74 C +HETATM 115 CG HYP A 18 -4.985 2.613 5.165 1.00 84.38 C +HETATM 116 CD HYP A 18 -3.761 1.873 5.644 1.00 88.49 C +HETATM 117 OD1 HYP A 18 -5.817 1.744 4.413 1.00 85.78 O +ATOM 118 N GLY A 19 -2.039 4.282 2.022 1.00 87.63 N +ATOM 119 CA GLY A 19 -1.043 5.236 1.626 1.00 86.99 C +ATOM 120 C GLY A 19 -1.239 6.562 2.320 1.00 87.30 C +ATOM 121 O GLY A 19 -2.236 6.789 3.000 1.00 87.86 O +ATOM 122 N PRO A 20 -0.273 7.454 2.161 1.00 84.12 N +ATOM 123 CA PRO A 20 -0.366 8.754 2.806 1.00 84.09 C +ATOM 124 C PRO A 20 -1.442 9.614 2.176 1.00 83.60 C +ATOM 125 O PRO A 20 -1.836 9.405 1.033 1.00 83.23 O +ATOM 126 CB PRO A 20 1.021 9.347 2.592 1.00 81.61 C +ATOM 127 CG PRO A 20 1.501 8.703 1.344 1.00 79.35 C +ATOM 128 CD PRO A 20 0.938 7.311 1.371 1.00 81.75 C +HETATM 129 N HYP A 21 -1.904 10.577 2.942 1.00 85.95 N +HETATM 130 CA HYP A 21 -2.843 11.518 2.423 1.00 87.59 C +HETATM 131 C HYP A 21 -2.295 12.345 1.279 1.00 86.48 C +HETATM 132 O HYP A 21 -1.088 12.639 1.261 1.00 89.60 O +HETATM 133 CB HYP A 21 -3.110 12.464 3.632 1.00 83.97 C +HETATM 134 CG HYP A 21 -2.763 11.658 4.841 1.00 81.76 C +HETATM 135 CD HYP A 21 -1.600 10.823 4.365 1.00 88.24 C +HETATM 136 OD1 HYP A 21 -3.860 10.797 5.150 1.00 82.98 O +ATOM 137 N GLY A 22 -3.080 12.594 0.317 1.00 86.64 N +ATOM 138 CA GLY A 22 -2.684 13.505 -0.715 1.00 83.96 C +ATOM 139 C GLY A 22 -2.667 14.925 -0.176 1.00 83.40 C +ATOM 140 O GLY A 22 -3.062 15.177 0.959 1.00 83.14 O +ATOM 141 N PRO A 23 -2.219 15.889 -0.973 1.00 88.94 N +ATOM 142 CA PRO A 23 -2.226 17.273 -0.521 1.00 88.57 C +ATOM 143 C PRO A 23 -3.651 17.799 -0.504 1.00 87.30 C +ATOM 144 O PRO A 23 -4.314 17.831 -1.536 1.00 83.76 O +ATOM 145 CB PRO A 23 -1.349 17.989 -1.545 1.00 84.80 C +ATOM 146 CG PRO A 23 -1.441 17.148 -2.762 1.00 82.59 C +ATOM 147 CD PRO A 23 -1.658 15.735 -2.304 1.00 86.31 C +HETATM 148 N HYP A 24 -4.222 18.031 0.583 1.00 92.65 N +HETATM 149 CA HYP A 24 -5.723 18.042 0.782 1.00 87.54 C +HETATM 150 C HYP A 24 -6.498 16.944 0.598 1.00 90.57 C +HETATM 151 O HYP A 24 -7.647 16.998 -0.067 1.00 91.98 O +HETATM 152 CB HYP A 24 -5.945 19.010 1.918 1.00 87.11 C +HETATM 153 CG HYP A 24 -4.709 19.899 1.915 1.00 86.89 C +HETATM 154 CD HYP A 24 -3.591 19.068 1.239 1.00 90.15 C +HETATM 155 OD1 HYP A 24 -4.305 20.287 3.208 1.00 87.87 O +HETATM 156 OXT HYP A 24 -6.808 16.135 1.656 1.00 87.11 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_546.txt b/protein_pdb_546.txt new file mode 100644 index 0000000000000000000000000000000000000000..fe8b421541d354494cfa6e8c3218323997d34daa --- /dev/null +++ b/protein_pdb_546.txt @@ -0,0 +1,181 @@ +ATOM 1 N GLY A 1 11.282 21.282 -38.860 1.00 91.61 N +ATOM 2 CA GLY A 1 9.877 20.885 -38.846 1.00 92.83 C +ATOM 3 C GLY A 1 9.258 21.057 -37.473 1.00 93.42 C +ATOM 4 O GLY A 1 9.981 21.246 -36.495 1.00 91.61 O +ATOM 5 N PRO A 2 7.937 20.989 -37.370 1.00 96.29 N +ATOM 6 CA PRO A 2 7.278 21.136 -36.072 1.00 96.72 C +ATOM 7 C PRO A 2 7.581 19.958 -35.144 1.00 97.17 C +ATOM 8 O PRO A 2 7.887 18.853 -35.598 1.00 95.98 O +ATOM 9 CB PRO A 2 5.790 21.213 -36.434 1.00 94.51 C +ATOM 10 CG PRO A 2 5.698 20.419 -37.684 1.00 91.38 C +ATOM 11 CD PRO A 2 6.963 20.759 -38.443 1.00 93.40 C +ATOM 12 N ALA A 3 7.465 20.205 -33.848 1.00 96.39 N +ATOM 13 CA ALA A 3 7.701 19.153 -32.864 1.00 96.61 C +ATOM 14 C ALA A 3 6.619 18.084 -32.967 1.00 96.86 C +ATOM 15 O ALA A 3 5.463 18.370 -33.301 1.00 94.76 O +ATOM 16 CB ALA A 3 7.722 19.744 -31.454 1.00 94.85 C +ATOM 17 N GLY A 4 6.993 16.848 -32.687 1.00 97.48 N +ATOM 18 CA GLY A 4 6.039 15.754 -32.742 1.00 97.29 C +ATOM 19 C GLY A 4 5.050 15.808 -31.575 1.00 97.72 C +ATOM 20 O GLY A 4 5.237 16.570 -30.628 1.00 97.84 O +ATOM 21 N PRO A 5 4.010 14.973 -31.617 1.00 97.75 N +ATOM 22 CA PRO A 5 3.012 14.952 -30.545 1.00 97.70 C +ATOM 23 C PRO A 5 3.576 14.342 -29.266 1.00 98.07 C +ATOM 24 O PRO A 5 4.561 13.594 -29.293 1.00 97.73 O +ATOM 25 CB PRO A 5 1.877 14.102 -31.128 1.00 96.58 C +ATOM 26 CG PRO A 5 2.588 13.161 -32.039 1.00 94.85 C +ATOM 27 CD PRO A 5 3.676 14.013 -32.675 1.00 96.86 C +ATOM 28 N ALA A 6 2.926 14.656 -28.154 1.00 97.48 N +ATOM 29 CA ALA A 6 3.341 14.105 -26.869 1.00 97.44 C +ATOM 30 C ALA A 6 3.079 12.600 -26.842 1.00 97.76 C +ATOM 31 O ALA A 6 2.164 12.098 -27.504 1.00 96.64 O +ATOM 32 CB ALA A 6 2.588 14.796 -25.737 1.00 96.02 C +ATOM 33 N GLY A 7 3.895 11.884 -26.085 1.00 97.98 N +ATOM 34 CA GLY A 7 3.728 10.443 -25.984 1.00 97.88 C +ATOM 35 C GLY A 7 2.490 10.068 -25.186 1.00 98.14 C +ATOM 36 O GLY A 7 1.849 10.920 -24.567 1.00 98.20 O +ATOM 37 N PRO A 8 2.149 8.775 -25.176 1.00 98.25 N +ATOM 38 CA PRO A 8 0.966 8.327 -24.442 1.00 98.20 C +ATOM 39 C PRO A 8 1.166 8.403 -22.932 1.00 98.41 C +ATOM 40 O PRO A 8 2.293 8.448 -22.437 1.00 98.08 O +ATOM 41 CB PRO A 8 0.785 6.876 -24.908 1.00 97.48 C +ATOM 42 CG PRO A 8 2.181 6.444 -25.208 1.00 95.76 C +ATOM 43 CD PRO A 8 2.822 7.663 -25.839 1.00 97.58 C +ATOM 44 N VAL A 9 0.038 8.410 -22.204 1.00 98.12 N +ATOM 45 CA VAL A 9 0.081 8.436 -20.745 1.00 97.91 C +ATOM 46 C VAL A 9 0.658 7.110 -20.256 1.00 98.02 C +ATOM 47 O VAL A 9 0.336 6.046 -20.790 1.00 97.60 O +ATOM 48 CB VAL A 9 -1.329 8.663 -20.157 1.00 97.15 C +ATOM 49 CG1 VAL A 9 -1.285 8.635 -18.643 1.00 91.85 C +ATOM 50 CG2 VAL A 9 -1.882 9.999 -20.643 1.00 91.99 C +ATOM 51 N GLY A 10 1.513 7.170 -19.238 1.00 98.09 N +ATOM 52 CA GLY A 10 2.120 5.973 -18.702 1.00 97.92 C +ATOM 53 C GLY A 10 1.118 5.096 -17.963 1.00 98.23 C +ATOM 54 O GLY A 10 -0.008 5.510 -17.681 1.00 98.18 O +ATOM 55 N PRO A 11 1.525 3.868 -17.611 1.00 98.48 N +ATOM 56 CA PRO A 11 0.635 2.950 -16.900 1.00 98.31 C +ATOM 57 C PRO A 11 0.370 3.418 -15.475 1.00 98.48 C +ATOM 58 O PRO A 11 1.139 4.186 -14.898 1.00 98.07 O +ATOM 59 CB PRO A 11 1.390 1.621 -16.932 1.00 97.67 C +ATOM 60 CG PRO A 11 2.826 2.046 -16.953 1.00 96.49 C +ATOM 61 CD PRO A 11 2.835 3.262 -17.855 1.00 97.82 C +ATOM 62 N ALA A 12 -0.730 2.924 -14.900 1.00 98.06 N +ATOM 63 CA ALA A 12 -1.072 3.263 -13.533 1.00 97.92 C +ATOM 64 C ALA A 12 -0.041 2.684 -12.571 1.00 98.09 C +ATOM 65 O ALA A 12 0.580 1.656 -12.848 1.00 96.72 O +ATOM 66 CB ALA A 12 -2.469 2.731 -13.183 1.00 96.79 C +ATOM 67 N GLY A 13 0.153 3.363 -11.442 1.00 97.89 N +ATOM 68 CA GLY A 13 1.106 2.892 -10.450 1.00 97.73 C +ATOM 69 C GLY A 13 0.657 1.600 -9.792 1.00 97.98 C +ATOM 70 O GLY A 13 -0.529 1.255 -9.805 1.00 97.74 O +ATOM 71 N ALA A 14 1.608 0.885 -9.217 1.00 98.20 N +ATOM 72 CA ALA A 14 1.318 -0.369 -8.542 1.00 98.23 C +ATOM 73 C ALA A 14 0.542 -0.118 -7.251 1.00 98.36 C +ATOM 74 O ALA A 14 0.651 0.943 -6.633 1.00 97.48 O +ATOM 75 CB ALA A 14 2.613 -1.117 -8.233 1.00 97.50 C +ATOM 76 N ARG A 15 -0.231 -1.111 -6.826 1.00 98.09 N +ATOM 77 CA ARG A 15 -0.982 -1.005 -5.579 1.00 97.97 C +ATOM 78 C ARG A 15 -0.005 -0.936 -4.407 1.00 97.92 C +ATOM 79 O ARG A 15 1.035 -1.598 -4.417 1.00 96.89 O +ATOM 80 CB ARG A 15 -1.916 -2.220 -5.424 1.00 96.65 C +ATOM 81 CG ARG A 15 -2.764 -2.177 -4.167 1.00 92.83 C +ATOM 82 CD ARG A 15 -3.641 -3.400 -4.058 1.00 89.29 C +ATOM 83 NE ARG A 15 -4.465 -3.379 -2.849 1.00 83.72 N +ATOM 84 CZ ARG A 15 -5.302 -4.337 -2.490 1.00 80.28 C +ATOM 85 NH1 ARG A 15 -5.433 -5.417 -3.241 1.00 77.08 N +ATOM 86 NH2 ARG A 15 -5.995 -4.221 -1.385 1.00 75.39 N +ATOM 87 N GLY A 16 -0.349 -0.134 -3.422 1.00 97.91 N +ATOM 88 CA GLY A 16 0.504 0.008 -2.264 1.00 97.74 C +ATOM 89 C GLY A 16 0.602 -1.279 -1.453 1.00 97.84 C +ATOM 90 O GLY A 16 -0.242 -2.171 -1.589 1.00 97.60 O +ATOM 91 N PRO A 17 1.625 -1.399 -0.596 1.00 98.09 N +ATOM 92 CA PRO A 17 1.799 -2.600 0.216 1.00 97.93 C +ATOM 93 C PRO A 17 0.759 -2.691 1.322 1.00 98.15 C +ATOM 94 O PRO A 17 0.132 -1.702 1.703 1.00 97.72 O +ATOM 95 CB PRO A 17 3.215 -2.441 0.781 1.00 96.88 C +ATOM 96 CG PRO A 17 3.371 -0.960 0.894 1.00 95.41 C +ATOM 97 CD PRO A 17 2.696 -0.422 -0.350 1.00 97.07 C +ATOM 98 N ALA A 18 0.591 -3.900 1.840 1.00 97.68 N +ATOM 99 CA ALA A 18 -0.333 -4.118 2.945 1.00 97.61 C +ATOM 100 C ALA A 18 0.181 -3.391 4.183 1.00 97.96 C +ATOM 101 O ALA A 18 1.388 -3.216 4.360 1.00 96.80 O +ATOM 102 CB ALA A 18 -0.485 -5.606 3.234 1.00 96.18 C +ATOM 103 N GLY A 19 -0.746 -2.975 5.047 1.00 98.15 N +ATOM 104 CA GLY A 19 -0.363 -2.280 6.259 1.00 98.07 C +ATOM 105 C GLY A 19 0.343 -3.198 7.241 1.00 98.20 C +ATOM 106 O GLY A 19 0.322 -4.420 7.091 1.00 98.09 O +ATOM 107 N PRO A 20 0.974 -2.618 8.269 1.00 97.82 N +ATOM 108 CA PRO A 20 1.702 -3.404 9.263 1.00 97.75 C +ATOM 109 C PRO A 20 0.759 -4.175 10.174 1.00 98.02 C +ATOM 110 O PRO A 20 -0.416 -3.845 10.290 1.00 97.70 O +ATOM 111 CB PRO A 20 2.495 -2.354 10.034 1.00 96.79 C +ATOM 112 CG PRO A 20 1.633 -1.139 9.936 1.00 95.18 C +ATOM 113 CD PRO A 20 1.077 -1.180 8.532 1.00 96.82 C +HETATM 114 N HYP A 21 1.280 -5.178 10.864 1.00 98.07 N +HETATM 115 CA HYP A 21 0.544 -5.947 11.816 1.00 97.88 C +HETATM 116 C HYP A 21 0.062 -5.057 12.953 1.00 98.27 C +HETATM 117 O HYP A 21 0.727 -4.067 13.278 1.00 97.65 O +HETATM 118 CB HYP A 21 1.569 -6.958 12.323 1.00 97.08 C +HETATM 119 CG HYP A 21 2.557 -7.096 11.183 1.00 96.02 C +HETATM 120 CD HYP A 21 2.617 -5.724 10.645 1.00 97.00 C +HETATM 121 OD1 HYP A 21 2.108 -7.987 10.213 1.00 95.47 O +ATOM 122 N GLY A 22 -1.064 -5.393 13.522 1.00 98.14 N +ATOM 123 CA GLY A 22 -1.569 -4.637 14.633 1.00 98.16 C +ATOM 124 C GLY A 22 -0.687 -4.819 15.857 1.00 98.22 C +ATOM 125 O GLY A 22 0.201 -5.676 15.876 1.00 98.02 O +ATOM 126 N PRO A 23 -0.931 -4.016 16.904 1.00 97.50 N +ATOM 127 CA PRO A 23 -0.124 -4.106 18.119 1.00 97.46 C +ATOM 128 C PRO A 23 -0.371 -5.411 18.863 1.00 97.61 C +ATOM 129 O PRO A 23 -1.416 -6.034 18.720 1.00 96.95 O +ATOM 130 CB PRO A 23 -0.572 -2.896 18.929 1.00 96.33 C +ATOM 131 CG PRO A 23 -1.974 -2.679 18.475 1.00 94.66 C +ATOM 132 CD PRO A 23 -1.943 -2.977 17.000 1.00 96.55 C +HETATM 133 N HYP A 24 0.584 -5.809 19.698 1.00 97.69 N +HETATM 134 CA HYP A 24 0.451 -7.006 20.506 1.00 96.99 C +HETATM 135 C HYP A 24 -0.706 -6.866 21.502 1.00 97.67 C +HETATM 136 O HYP A 24 -0.992 -5.763 21.960 1.00 97.12 O +HETATM 137 CB HYP A 24 1.808 -6.989 21.321 1.00 95.28 C +HETATM 138 CG HYP A 24 2.791 -6.217 20.477 1.00 94.08 C +HETATM 139 CD HYP A 24 1.907 -5.181 19.807 1.00 95.65 C +HETATM 140 OD1 HYP A 24 3.362 -7.027 19.464 1.00 93.75 O +ATOM 141 N GLY A 25 -1.358 -7.969 21.775 1.00 96.54 N +ATOM 142 CA GLY A 25 -2.437 -7.952 22.728 1.00 96.67 C +ATOM 143 C GLY A 25 -1.909 -7.704 24.129 1.00 97.03 C +ATOM 144 O GLY A 25 -0.700 -7.784 24.374 1.00 96.64 O +ATOM 145 N PRO A 26 -2.804 -7.428 25.086 1.00 95.51 N +ATOM 146 CA PRO A 26 -2.378 -7.164 26.454 1.00 95.25 C +ATOM 147 C PRO A 26 -1.862 -8.425 27.134 1.00 95.43 C +ATOM 148 O PRO A 26 -2.199 -9.542 26.743 1.00 94.29 O +ATOM 149 CB PRO A 26 -3.652 -6.635 27.121 1.00 93.39 C +ATOM 150 CG PRO A 26 -4.740 -7.288 26.343 1.00 91.94 C +ATOM 151 CD PRO A 26 -4.245 -7.292 24.920 1.00 94.27 C +HETATM 152 N HYP A 27 -1.054 -8.291 28.213 1.00 96.05 N +HETATM 153 CA HYP A 27 -0.549 -9.413 28.935 1.00 94.35 C +HETATM 154 C HYP A 27 -1.655 -10.191 29.651 1.00 96.09 C +HETATM 155 O HYP A 27 -2.674 -9.622 29.968 1.00 95.09 O +HETATM 156 CB HYP A 27 0.318 -8.700 30.073 1.00 93.12 C +HETATM 157 CG HYP A 27 0.695 -7.332 29.524 1.00 91.48 C +HETATM 158 CD HYP A 27 -0.503 -6.985 28.648 1.00 93.43 C +HETATM 159 OD1 HYP A 27 1.845 -7.418 28.700 1.00 90.85 O +ATOM 160 N GLY A 28 -1.456 -11.467 29.804 1.00 91.51 N +ATOM 161 CA GLY A 28 -2.432 -12.274 30.490 1.00 91.26 C +ATOM 162 C GLY A 28 -2.500 -11.905 31.960 1.00 92.04 C +ATOM 163 O GLY A 28 -1.633 -11.195 32.472 1.00 90.61 O +ATOM 164 N PRO A 29 -3.497 -12.420 32.707 1.00 92.81 N +ATOM 165 CA PRO A 29 -3.635 -12.098 34.124 1.00 92.88 C +ATOM 166 C PRO A 29 -2.525 -12.731 34.935 1.00 92.30 C +ATOM 167 O PRO A 29 -1.930 -13.729 34.532 1.00 88.94 O +ATOM 168 CB PRO A 29 -5.007 -12.667 34.482 1.00 89.62 C +ATOM 169 CG PRO A 29 -5.179 -13.782 33.517 1.00 86.76 C +ATOM 170 CD PRO A 29 -4.565 -13.280 32.234 1.00 89.73 C +HETATM 171 N HYP A 30 -2.253 -12.165 36.156 1.00 94.48 N +HETATM 172 CA HYP A 30 -1.203 -12.813 36.918 1.00 90.30 C +HETATM 173 C HYP A 30 -1.724 -14.160 37.505 1.00 90.89 C +HETATM 174 O HYP A 30 -1.336 -14.664 38.480 1.00 89.64 O +HETATM 175 CB HYP A 30 -1.065 -11.809 38.151 1.00 88.09 C +HETATM 176 CG HYP A 30 -1.659 -10.465 37.746 1.00 86.71 C +HETATM 177 CD HYP A 30 -2.675 -10.860 36.669 1.00 91.13 C +HETATM 178 OD1 HYP A 30 -0.656 -9.687 37.154 1.00 84.85 O +HETATM 179 OXT HYP A 30 -2.586 -14.706 36.874 1.00 88.72 O +TER 180 HYP A 30 +END diff --git a/protein_pdb_547.txt b/protein_pdb_547.txt new file mode 100644 index 0000000000000000000000000000000000000000..8213b0a48ad842dd1a449fc056b5056594098ebe --- /dev/null +++ b/protein_pdb_547.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -5.188 14.924 3.371 1.00 79.54 N +ATOM 2 CA GLY A 1 -5.908 13.835 2.810 1.00 81.32 C +ATOM 3 C GLY A 1 -5.752 12.552 3.600 1.00 83.63 C +ATOM 4 O GLY A 1 -4.831 12.428 4.412 1.00 80.88 O +ATOM 5 N PRO A 2 -6.600 11.627 3.384 1.00 79.21 N +ATOM 6 CA PRO A 2 -6.565 10.362 4.092 1.00 81.36 C +ATOM 7 C PRO A 2 -5.479 9.445 3.557 1.00 81.62 C +ATOM 8 O PRO A 2 -4.950 9.647 2.468 1.00 78.87 O +ATOM 9 CB PRO A 2 -7.949 9.783 3.829 1.00 77.34 C +ATOM 10 CG PRO A 2 -8.305 10.333 2.501 1.00 73.85 C +ATOM 11 CD PRO A 2 -7.724 11.725 2.472 1.00 74.66 C +HETATM 12 N HYP A 3 -5.163 8.455 4.338 1.00 80.85 N +HETATM 13 CA HYP A 3 -4.210 7.454 3.899 1.00 83.16 C +HETATM 14 C HYP A 3 -4.738 6.723 2.678 1.00 83.59 C +HETATM 15 O HYP A 3 -5.965 6.598 2.489 1.00 82.85 O +HETATM 16 CB HYP A 3 -4.210 6.479 5.104 1.00 80.39 C +HETATM 17 CG HYP A 3 -4.532 7.369 6.278 1.00 74.60 C +HETATM 18 CD HYP A 3 -5.577 8.300 5.684 1.00 77.46 C +HETATM 19 OD1 HYP A 3 -3.403 8.094 6.665 1.00 80.28 O +ATOM 20 N GLY A 4 -3.832 6.307 1.856 1.00 84.92 N +ATOM 21 CA GLY A 4 -4.192 5.557 0.688 1.00 83.19 C +ATOM 22 C GLY A 4 -4.712 4.184 1.060 1.00 83.71 C +ATOM 23 O GLY A 4 -4.640 3.768 2.218 1.00 82.19 O +ATOM 24 N PRO A 5 -5.243 3.461 0.084 1.00 83.80 N +ATOM 25 CA PRO A 5 -5.771 2.131 0.350 1.00 83.39 C +ATOM 26 C PRO A 5 -4.657 1.130 0.608 1.00 83.00 C +ATOM 27 O PRO A 5 -3.497 1.372 0.289 1.00 80.43 O +ATOM 28 CB PRO A 5 -6.533 1.794 -0.926 1.00 80.31 C +ATOM 29 CG PRO A 5 -5.834 2.570 -1.978 1.00 78.02 C +ATOM 30 CD PRO A 5 -5.394 3.845 -1.312 1.00 79.52 C +HETATM 31 N HYP A 6 -5.029 0.015 1.208 1.00 83.45 N +HETATM 32 CA HYP A 6 -4.069 -1.062 1.408 1.00 86.58 C +HETATM 33 C HYP A 6 -3.459 -1.514 0.125 1.00 87.18 C +HETATM 34 O HYP A 6 -4.091 -1.473 -0.945 1.00 87.18 O +HETATM 35 CB HYP A 6 -4.957 -2.144 2.007 1.00 82.76 C +HETATM 36 CG HYP A 6 -6.072 -1.411 2.679 1.00 80.42 C +HETATM 37 CD HYP A 6 -6.317 -0.283 1.730 1.00 83.20 C +HETATM 38 OD1 HYP A 6 -5.670 -0.913 3.922 1.00 79.87 O +ATOM 39 N GLY A 7 -2.211 -1.873 0.178 1.00 85.54 N +ATOM 40 CA GLY A 7 -1.504 -2.333 -0.987 1.00 84.17 C +ATOM 41 C GLY A 7 -2.048 -3.662 -1.480 1.00 84.11 C +ATOM 42 O GLY A 7 -2.878 -4.299 -0.828 1.00 82.61 O +ATOM 43 N PRO A 8 -1.582 -4.099 -2.618 1.00 83.21 N +ATOM 44 CA PRO A 8 -2.031 -5.376 -3.168 1.00 82.29 C +ATOM 45 C PRO A 8 -1.602 -6.540 -2.297 1.00 81.91 C +ATOM 46 O PRO A 8 -0.619 -6.464 -1.572 1.00 78.79 O +ATOM 47 CB PRO A 8 -1.349 -5.458 -4.537 1.00 80.00 C +ATOM 48 CG PRO A 8 -0.826 -4.104 -4.807 1.00 79.85 C +ATOM 49 CD PRO A 8 -0.610 -3.442 -3.484 1.00 80.70 C +HETATM 50 N HYP A 9 -2.346 -7.640 -2.420 1.00 82.98 N +HETATM 51 CA HYP A 9 -1.979 -8.823 -1.705 1.00 81.27 C +HETATM 52 C HYP A 9 -0.623 -9.292 -2.123 1.00 83.29 C +HETATM 53 O HYP A 9 -0.233 -9.180 -3.263 1.00 82.85 O +HETATM 54 CB HYP A 9 -3.041 -9.823 -2.215 1.00 78.26 C +HETATM 55 CG HYP A 9 -4.186 -9.010 -2.628 1.00 74.16 C +HETATM 56 CD HYP A 9 -3.577 -7.773 -3.182 1.00 82.57 C +HETATM 57 OD1 HYP A 9 -4.986 -8.681 -1.521 1.00 75.49 O +ATOM 58 N GLY A 10 0.150 -9.810 -1.195 1.00 82.36 N +ATOM 59 CA GLY A 10 1.467 -10.324 -1.470 1.00 78.16 C +ATOM 60 C GLY A 10 1.451 -11.703 -2.087 1.00 78.59 C +ATOM 61 O GLY A 10 2.490 -12.357 -2.156 1.00 75.62 O +ATOM 62 N GLY A 11 0.295 -12.167 -2.521 1.00 75.78 N +ATOM 63 CA GLY A 11 0.148 -13.509 -3.064 1.00 74.48 C +ATOM 64 C GLY A 11 -0.402 -14.408 -1.991 1.00 76.54 C +ATOM 65 O GLY A 11 -1.600 -14.690 -1.949 1.00 72.18 O +ATOM 66 N ASP A 12 0.474 -14.833 -1.111 1.00 76.65 N +ATOM 67 CA ASP A 12 0.081 -15.613 0.046 1.00 80.02 C +ATOM 68 C ASP A 12 0.222 -14.763 1.303 1.00 81.91 C +ATOM 69 O ASP A 12 0.659 -15.225 2.352 1.00 77.18 O +ATOM 70 CB ASP A 12 0.947 -16.874 0.138 1.00 76.03 C +ATOM 71 CG ASP A 12 0.387 -17.880 1.125 1.00 71.99 C +ATOM 72 OD1 ASP A 12 -0.846 -17.949 1.284 1.00 71.85 O +ATOM 73 OD2 ASP A 12 1.189 -18.617 1.747 1.00 69.52 O +ATOM 74 N GLY A 13 -0.124 -13.504 1.176 1.00 83.96 N +ATOM 75 CA GLY A 13 0.033 -12.573 2.267 1.00 82.03 C +ATOM 76 C GLY A 13 -1.063 -11.530 2.294 1.00 84.03 C +ATOM 77 O GLY A 13 -1.845 -11.412 1.348 1.00 82.96 O +ATOM 78 N PRO A 14 -1.131 -10.786 3.375 1.00 84.03 N +ATOM 79 CA PRO A 14 -2.161 -9.763 3.520 1.00 84.07 C +ATOM 80 C PRO A 14 -1.889 -8.568 2.619 1.00 84.80 C +ATOM 81 O PRO A 14 -0.803 -8.412 2.068 1.00 81.84 O +ATOM 82 CB PRO A 14 -2.073 -9.381 4.995 1.00 81.19 C +ATOM 83 CG PRO A 14 -0.647 -9.618 5.346 1.00 81.24 C +ATOM 84 CD PRO A 14 -0.236 -10.826 4.548 1.00 82.29 C +HETATM 85 N HYP A 15 -2.890 -7.770 2.469 1.00 84.69 N +HETATM 86 CA HYP A 15 -2.734 -6.519 1.791 1.00 86.45 C +HETATM 87 C HYP A 15 -1.644 -5.716 2.359 1.00 87.89 C +HETATM 88 O HYP A 15 -1.342 -5.826 3.567 1.00 85.97 O +HETATM 89 CB HYP A 15 -4.125 -5.882 1.994 1.00 82.48 C +HETATM 90 CG HYP A 15 -5.039 -7.066 2.094 1.00 78.43 C +HETATM 91 CD HYP A 15 -4.228 -8.026 2.898 1.00 83.15 C +HETATM 92 OD1 HYP A 15 -5.337 -7.562 0.844 1.00 81.01 O +ATOM 93 N GLY A 16 -1.020 -4.914 1.576 1.00 85.53 N +ATOM 94 CA GLY A 16 0.025 -4.053 2.050 1.00 84.38 C +ATOM 95 C GLY A 16 -0.527 -2.980 2.968 1.00 85.50 C +ATOM 96 O GLY A 16 -1.738 -2.847 3.134 1.00 84.45 O +ATOM 97 N PRO A 17 0.365 -2.215 3.571 1.00 85.54 N +ATOM 98 CA PRO A 17 -0.071 -1.155 4.469 1.00 84.97 C +ATOM 99 C PRO A 17 -0.758 -0.030 3.719 1.00 85.72 C +ATOM 100 O PRO A 17 -0.616 0.107 2.504 1.00 83.66 O +ATOM 101 CB PRO A 17 1.234 -0.684 5.125 1.00 82.56 C +ATOM 102 CG PRO A 17 2.289 -1.069 4.165 1.00 81.79 C +ATOM 103 CD PRO A 17 1.815 -2.312 3.481 1.00 81.98 C +HETATM 104 N HYP A 18 -1.536 0.735 4.429 1.00 84.75 N +HETATM 105 CA HYP A 18 -2.156 1.890 3.858 1.00 86.39 C +HETATM 106 C HYP A 18 -1.180 2.798 3.227 1.00 84.78 C +HETATM 107 O HYP A 18 -0.025 2.910 3.681 1.00 86.53 O +HETATM 108 CB HYP A 18 -2.798 2.514 5.082 1.00 82.47 C +HETATM 109 CG HYP A 18 -3.065 1.351 6.010 1.00 82.05 C +HETATM 110 CD HYP A 18 -1.839 0.514 5.810 1.00 85.16 C +HETATM 111 OD1 HYP A 18 -4.206 0.644 5.612 1.00 82.70 O +ATOM 112 N GLY A 19 -1.589 3.452 2.189 1.00 81.82 N +ATOM 113 CA GLY A 19 -0.749 4.398 1.509 1.00 80.55 C +ATOM 114 C GLY A 19 -0.462 5.604 2.378 1.00 81.42 C +ATOM 115 O GLY A 19 -1.024 5.759 3.458 1.00 80.48 O +ATOM 116 N PRO A 20 0.419 6.455 1.917 1.00 79.02 N +ATOM 117 CA PRO A 20 0.782 7.633 2.688 1.00 79.36 C +ATOM 118 C PRO A 20 -0.363 8.632 2.763 1.00 78.81 C +ATOM 119 O PRO A 20 -1.254 8.641 1.919 1.00 76.80 O +ATOM 120 CB PRO A 20 1.971 8.203 1.933 1.00 76.71 C +ATOM 121 CG PRO A 20 1.766 7.735 0.542 1.00 74.78 C +ATOM 122 CD PRO A 20 1.137 6.375 0.657 1.00 75.04 C +HETATM 123 N HYP A 21 -0.332 9.456 3.770 1.00 83.95 N +HETATM 124 CA HYP A 21 -1.289 10.492 3.910 1.00 84.86 C +HETATM 125 C HYP A 21 -1.274 11.455 2.771 1.00 84.99 C +HETATM 126 O HYP A 21 -0.191 11.765 2.263 1.00 85.64 O +HETATM 127 CB HYP A 21 -0.799 11.222 5.181 1.00 80.92 C +HETATM 128 CG HYP A 21 -0.058 10.181 5.943 1.00 77.88 C +HETATM 129 CD HYP A 21 0.605 9.405 4.881 1.00 84.92 C +HETATM 130 OD1 HYP A 21 -0.957 9.329 6.641 1.00 81.50 O +ATOM 131 N GLY A 22 -2.391 11.843 2.310 1.00 81.02 N +ATOM 132 CA GLY A 22 -2.466 12.823 1.265 1.00 78.69 C +ATOM 133 C GLY A 22 -2.158 14.203 1.815 1.00 78.62 C +ATOM 134 O GLY A 22 -2.031 14.389 3.029 1.00 77.10 O +ATOM 135 N PRO A 23 -2.039 15.188 0.953 1.00 81.50 N +ATOM 136 CA PRO A 23 -1.799 16.549 1.416 1.00 81.96 C +ATOM 137 C PRO A 23 -3.082 17.128 1.991 1.00 80.74 C +ATOM 138 O PRO A 23 -4.072 17.264 1.280 1.00 77.36 O +ATOM 139 CB PRO A 23 -1.359 17.277 0.148 1.00 77.98 C +ATOM 140 CG PRO A 23 -2.010 16.522 -0.956 1.00 75.07 C +ATOM 141 CD PRO A 23 -2.077 15.088 -0.496 1.00 76.11 C +HETATM 142 N HYP A 24 -3.163 17.334 3.255 1.00 84.08 N +HETATM 143 CA HYP A 24 -4.443 17.484 3.880 1.00 76.53 C +HETATM 144 C HYP A 24 -5.460 16.547 3.627 1.00 79.95 C +HETATM 145 O HYP A 24 -6.354 16.857 2.746 1.00 78.59 O +HETATM 146 CB HYP A 24 -4.464 18.504 4.906 1.00 73.49 C +HETATM 147 CG HYP A 24 -3.028 19.037 4.889 1.00 75.80 C +HETATM 148 CD HYP A 24 -2.304 18.311 3.733 1.00 80.97 C +HETATM 149 OD1 HYP A 24 -2.351 18.723 6.095 1.00 79.49 O +HETATM 150 OXT HYP A 24 -6.228 16.071 4.599 1.00 77.26 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_548.txt b/protein_pdb_548.txt new file mode 100644 index 0000000000000000000000000000000000000000..e00aa7f8ad42ee87ee4f22096427fe5fc46aa10a --- /dev/null +++ b/protein_pdb_548.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 8.810 -12.047 -9.169 1.00 88.01 N +ATOM 2 CA GLY A 1 8.188 -10.942 -9.846 1.00 89.04 C +ATOM 3 C GLY A 1 8.368 -9.648 -9.094 1.00 89.63 C +ATOM 4 O GLY A 1 8.961 -9.625 -8.019 1.00 87.22 O +ATOM 5 N PRO A 2 7.779 -8.470 -9.594 1.00 89.31 N +ATOM 6 CA PRO A 2 7.918 -7.170 -8.959 1.00 89.59 C +ATOM 7 C PRO A 2 7.008 -7.024 -7.752 1.00 90.03 C +ATOM 8 O PRO A 2 6.095 -7.817 -7.545 1.00 88.17 O +ATOM 9 CB PRO A 2 7.529 -6.203 -10.073 1.00 86.19 C +ATOM 10 CG PRO A 2 6.550 -6.978 -10.881 1.00 82.42 C +ATOM 11 CD PRO A 2 7.044 -8.395 -10.854 1.00 84.20 C +HETATM 12 N HYP A 3 7.284 -5.991 -6.997 1.00 88.07 N +HETATM 13 CA HYP A 3 6.402 -5.685 -5.860 1.00 88.85 C +HETATM 14 C HYP A 3 4.990 -5.421 -6.310 1.00 89.65 C +HETATM 15 O HYP A 3 4.783 -4.933 -7.442 1.00 91.60 O +HETATM 16 CB HYP A 3 7.060 -4.399 -5.295 1.00 88.37 C +HETATM 17 CG HYP A 3 8.516 -4.520 -5.681 1.00 85.47 C +HETATM 18 CD HYP A 3 8.439 -5.158 -7.071 1.00 88.31 C +HETATM 19 OD1 HYP A 3 9.139 -5.387 -4.780 1.00 87.05 O +ATOM 20 N GLY A 4 4.056 -5.781 -5.485 1.00 91.20 N +ATOM 21 CA GLY A 4 2.670 -5.522 -5.767 1.00 90.95 C +ATOM 22 C GLY A 4 2.373 -4.034 -5.725 1.00 91.54 C +ATOM 23 O GLY A 4 3.209 -3.229 -5.311 1.00 92.40 O +ATOM 24 N PRO A 5 1.185 -3.665 -6.155 1.00 90.70 N +ATOM 25 CA PRO A 5 0.806 -2.261 -6.147 1.00 90.08 C +ATOM 26 C PRO A 5 0.606 -1.740 -4.732 1.00 90.41 C +ATOM 27 O PRO A 5 0.390 -2.510 -3.802 1.00 89.67 O +ATOM 28 CB PRO A 5 -0.493 -2.241 -6.939 1.00 88.62 C +ATOM 29 CG PRO A 5 -1.067 -3.590 -6.702 1.00 87.50 C +ATOM 30 CD PRO A 5 0.106 -4.519 -6.637 1.00 89.48 C +HETATM 31 N HYP A 6 0.694 -0.394 -4.590 1.00 90.59 N +HETATM 32 CA HYP A 6 0.392 0.188 -3.329 1.00 93.35 C +HETATM 33 C HYP A 6 -0.999 -0.106 -2.870 1.00 91.66 C +HETATM 34 O HYP A 6 -1.916 -0.295 -3.708 1.00 92.50 O +HETATM 35 CB HYP A 6 0.546 1.705 -3.629 1.00 90.30 C +HETATM 36 CG HYP A 6 1.542 1.750 -4.749 1.00 89.63 C +HETATM 37 CD HYP A 6 1.156 0.546 -5.569 1.00 90.96 C +HETATM 38 OD1 HYP A 6 2.830 1.598 -4.226 1.00 89.13 O +ATOM 39 N GLY A 7 -1.168 -0.244 -1.602 1.00 92.71 N +ATOM 40 CA GLY A 7 -2.469 -0.442 -1.032 1.00 92.06 C +ATOM 41 C GLY A 7 -3.353 0.756 -1.283 1.00 92.32 C +ATOM 42 O GLY A 7 -2.899 1.822 -1.684 1.00 92.46 O +ATOM 43 N PRO A 8 -4.635 0.583 -1.063 1.00 94.12 N +ATOM 44 CA PRO A 8 -5.568 1.681 -1.288 1.00 93.86 C +ATOM 45 C PRO A 8 -5.413 2.763 -0.236 1.00 93.91 C +ATOM 46 O PRO A 8 -4.947 2.525 0.871 1.00 92.58 O +ATOM 47 CB PRO A 8 -6.931 1.002 -1.203 1.00 92.22 C +ATOM 48 CG PRO A 8 -6.701 -0.151 -0.302 1.00 91.28 C +ATOM 49 CD PRO A 8 -5.307 -0.625 -0.596 1.00 93.62 C +HETATM 50 N HYP A 9 -5.831 3.969 -0.609 1.00 91.07 N +HETATM 51 CA HYP A 9 -5.813 5.040 0.322 1.00 92.59 C +HETATM 52 C HYP A 9 -6.821 4.818 1.401 1.00 92.85 C +HETATM 53 O HYP A 9 -7.863 4.192 1.213 1.00 91.12 O +HETATM 54 CB HYP A 9 -6.321 6.268 -0.499 1.00 89.25 C +HETATM 55 CG HYP A 9 -6.082 5.916 -1.886 1.00 90.18 C +HETATM 56 CD HYP A 9 -6.226 4.431 -1.949 1.00 91.29 C +HETATM 57 OD1 HYP A 9 -4.744 6.256 -2.183 1.00 89.66 O +ATOM 58 N GLY A 10 -6.548 5.259 2.589 1.00 93.13 N +ATOM 59 CA GLY A 10 -7.559 5.397 3.601 1.00 91.77 C +ATOM 60 C GLY A 10 -8.440 6.587 3.254 1.00 91.33 C +ATOM 61 O GLY A 10 -8.285 7.221 2.208 1.00 90.56 O +ATOM 62 N TYR A 11 -9.357 6.895 4.125 1.00 94.04 N +ATOM 63 CA TYR A 11 -10.201 8.058 3.887 1.00 94.36 C +ATOM 64 C TYR A 11 -9.332 9.309 4.012 1.00 94.65 C +ATOM 65 O TYR A 11 -8.983 9.735 5.111 1.00 93.52 O +ATOM 66 CB TYR A 11 -11.349 8.090 4.898 1.00 93.38 C +ATOM 67 CG TYR A 11 -12.215 9.320 4.762 1.00 88.94 C +ATOM 68 CD1 TYR A 11 -12.961 9.540 3.614 1.00 87.09 C +ATOM 69 CD2 TYR A 11 -12.275 10.266 5.778 1.00 85.46 C +ATOM 70 CE1 TYR A 11 -13.753 10.670 3.481 1.00 83.54 C +ATOM 71 CE2 TYR A 11 -13.063 11.400 5.655 1.00 84.20 C +ATOM 72 CZ TYR A 11 -13.798 11.596 4.506 1.00 84.02 C +ATOM 73 OH TYR A 11 -14.578 12.727 4.373 1.00 84.18 O +ATOM 74 N GLY A 12 -8.945 9.845 2.875 1.00 93.68 N +ATOM 75 CA GLY A 12 -8.027 10.968 2.850 1.00 94.06 C +ATOM 76 C GLY A 12 -6.600 10.594 3.187 1.00 95.38 C +ATOM 77 O GLY A 12 -5.746 11.474 3.307 1.00 92.97 O +ATOM 78 N GLY A 13 -6.336 9.315 3.338 1.00 95.11 N +ATOM 79 CA GLY A 13 -5.025 8.852 3.741 1.00 94.51 C +ATOM 80 C GLY A 13 -4.162 8.433 2.571 1.00 94.87 C +ATOM 81 O GLY A 13 -4.623 8.364 1.437 1.00 94.53 O +ATOM 82 N PRO A 14 -2.905 8.152 2.849 1.00 94.53 N +ATOM 83 CA PRO A 14 -1.967 7.773 1.801 1.00 94.07 C +ATOM 84 C PRO A 14 -2.174 6.330 1.356 1.00 94.31 C +ATOM 85 O PRO A 14 -2.795 5.533 2.046 1.00 92.87 O +ATOM 86 CB PRO A 14 -0.604 7.942 2.469 1.00 92.00 C +ATOM 87 CG PRO A 14 -0.882 7.626 3.895 1.00 91.15 C +ATOM 88 CD PRO A 14 -2.258 8.188 4.163 1.00 93.01 C +HETATM 89 N HYP A 15 -1.623 6.040 0.192 1.00 94.57 N +HETATM 90 CA HYP A 15 -1.586 4.673 -0.246 1.00 94.86 C +HETATM 91 C HYP A 15 -0.820 3.801 0.675 1.00 95.68 C +HETATM 92 O HYP A 15 0.116 4.282 1.355 1.00 93.81 O +HETATM 93 CB HYP A 15 -0.797 4.828 -1.607 1.00 91.60 C +HETATM 94 CG HYP A 15 -1.104 6.227 -2.073 1.00 89.70 C +HETATM 95 CD HYP A 15 -1.134 7.017 -0.800 1.00 93.12 C +HETATM 96 OD1 HYP A 15 -2.351 6.255 -2.706 1.00 89.99 O +ATOM 97 N GLY A 16 -1.178 2.560 0.742 1.00 95.63 N +ATOM 98 CA GLY A 16 -0.421 1.610 1.505 1.00 95.25 C +ATOM 99 C GLY A 16 0.891 1.291 0.814 1.00 95.64 C +ATOM 100 O GLY A 16 1.159 1.746 -0.300 1.00 95.40 O +ATOM 101 N PRO A 17 1.731 0.498 1.479 1.00 92.91 N +ATOM 102 CA PRO A 17 3.009 0.141 0.894 1.00 92.45 C +ATOM 103 C PRO A 17 2.847 -0.836 -0.257 1.00 92.83 C +ATOM 104 O PRO A 17 1.806 -1.466 -0.407 1.00 91.41 O +ATOM 105 CB PRO A 17 3.762 -0.491 2.064 1.00 90.65 C +ATOM 106 CG PRO A 17 2.682 -1.047 2.916 1.00 89.18 C +ATOM 107 CD PRO A 17 1.533 -0.091 2.799 1.00 91.32 C +HETATM 108 N HYP A 18 3.908 -0.943 -1.084 1.00 92.19 N +HETATM 109 CA HYP A 18 3.893 -1.909 -2.109 1.00 93.46 C +HETATM 110 C HYP A 18 3.719 -3.306 -1.598 1.00 93.27 C +HETATM 111 O HYP A 18 4.160 -3.615 -0.468 1.00 92.37 O +HETATM 112 CB HYP A 18 5.275 -1.729 -2.772 1.00 89.23 C +HETATM 113 CG HYP A 18 5.629 -0.295 -2.510 1.00 88.78 C +HETATM 114 CD HYP A 18 5.056 -0.078 -1.130 1.00 91.76 C +HETATM 115 OD1 HYP A 18 4.969 0.520 -3.444 1.00 88.68 O +ATOM 116 N GLY A 19 3.084 -4.129 -2.353 1.00 92.04 N +ATOM 117 CA GLY A 19 2.943 -5.516 -2.004 1.00 91.67 C +ATOM 118 C GLY A 19 4.279 -6.226 -2.055 1.00 91.94 C +ATOM 119 O GLY A 19 5.287 -5.668 -2.488 1.00 92.73 O +ATOM 120 N PRO A 20 4.288 -7.472 -1.622 1.00 88.90 N +ATOM 121 CA PRO A 20 5.527 -8.237 -1.637 1.00 88.77 C +ATOM 122 C PRO A 20 5.933 -8.605 -3.048 1.00 88.74 C +ATOM 123 O PRO A 20 5.133 -8.538 -3.977 1.00 89.00 O +ATOM 124 CB PRO A 20 5.171 -9.477 -0.816 1.00 86.84 C +ATOM 125 CG PRO A 20 3.707 -9.634 -1.033 1.00 85.36 C +ATOM 126 CD PRO A 20 3.160 -8.241 -1.117 1.00 87.89 C +HETATM 127 N HYP A 21 7.206 -8.977 -3.195 1.00 90.46 N +HETATM 128 CA HYP A 21 7.654 -9.457 -4.457 1.00 90.49 C +HETATM 129 C HYP A 21 6.883 -10.644 -4.955 1.00 89.95 C +HETATM 130 O HYP A 21 6.420 -11.426 -4.134 1.00 92.04 O +HETATM 131 CB HYP A 21 9.129 -9.791 -4.240 1.00 87.71 C +HETATM 132 CG HYP A 21 9.538 -8.907 -3.104 1.00 85.66 C +HETATM 133 CD HYP A 21 8.294 -8.854 -2.232 1.00 89.89 C +HETATM 134 OD1 HYP A 21 9.787 -7.595 -3.611 1.00 84.36 O +ATOM 135 N GLY A 22 6.648 -10.708 -6.235 1.00 88.74 N +ATOM 136 CA GLY A 22 5.946 -11.809 -6.825 1.00 86.15 C +ATOM 137 C GLY A 22 6.767 -13.086 -6.757 1.00 85.74 C +ATOM 138 O GLY A 22 7.892 -13.096 -6.253 1.00 86.31 O +ATOM 139 N PRO A 23 6.233 -14.172 -7.290 1.00 89.40 N +ATOM 140 CA PRO A 23 6.966 -15.429 -7.311 1.00 89.15 C +ATOM 141 C PRO A 23 8.272 -15.281 -8.054 1.00 88.20 C +ATOM 142 O PRO A 23 8.361 -14.517 -9.010 1.00 85.20 O +ATOM 143 CB PRO A 23 6.025 -16.380 -8.037 1.00 85.58 C +ATOM 144 CG PRO A 23 4.685 -15.763 -7.868 1.00 82.29 C +ATOM 145 CD PRO A 23 4.915 -14.293 -7.880 1.00 85.46 C +HETATM 146 N HYP A 24 9.271 -15.920 -7.692 1.00 89.77 N +HETATM 147 CA HYP A 24 10.529 -15.749 -8.336 1.00 85.43 C +HETATM 148 C HYP A 24 10.583 -14.763 -9.389 1.00 88.75 C +HETATM 149 O HYP A 24 11.153 -14.859 -10.453 1.00 88.85 O +HETATM 150 CB HYP A 24 11.405 -16.769 -7.982 1.00 86.22 C +HETATM 151 CG HYP A 24 10.586 -17.701 -7.069 1.00 84.88 C +HETATM 152 CD HYP A 24 9.211 -17.062 -6.911 1.00 88.11 C +HETATM 153 OD1 HYP A 24 11.166 -17.732 -5.773 1.00 87.68 O +HETATM 154 OXT HYP A 24 10.152 -13.619 -9.167 1.00 84.69 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_549.txt b/protein_pdb_549.txt new file mode 100644 index 0000000000000000000000000000000000000000..773ce7c5796dc0e0f801d1d3aa91f3bc4d2a7589 --- /dev/null +++ b/protein_pdb_549.txt @@ -0,0 +1,191 @@ +ATOM 1 N GLY A 1 -21.131 27.781 -16.163 1.00 93.57 N +ATOM 2 CA GLY A 1 -20.445 27.620 -14.881 1.00 95.13 C +ATOM 3 C GLY A 1 -18.964 27.359 -15.063 1.00 94.99 C +ATOM 4 O GLY A 1 -18.510 27.114 -16.179 1.00 93.02 O +ATOM 5 N ARG A 2 -18.223 27.369 -13.956 1.00 96.96 N +ATOM 6 CA ARG A 2 -16.786 27.118 -13.998 1.00 97.15 C +ATOM 7 C ARG A 2 -16.496 25.675 -14.337 1.00 97.65 C +ATOM 8 O ARG A 2 -17.288 24.787 -14.032 1.00 97.29 O +ATOM 9 CB ARG A 2 -16.147 27.418 -12.651 1.00 95.83 C +ATOM 10 CG ARG A 2 -16.203 28.863 -12.228 1.00 90.43 C +ATOM 11 CD ARG A 2 -15.375 29.064 -10.962 1.00 87.45 C +ATOM 12 NE ARG A 2 -15.843 28.238 -9.865 1.00 83.16 N +ATOM 13 CZ ARG A 2 -16.896 28.516 -9.117 1.00 80.53 C +ATOM 14 NH1 ARG A 2 -17.623 29.600 -9.333 1.00 76.34 N +ATOM 15 NH2 ARG A 2 -17.239 27.693 -8.135 1.00 75.00 N +HETATM 16 N HYP A 3 -15.414 25.521 -14.966 1.00 97.27 N +HETATM 17 CA HYP A 3 -14.926 24.132 -15.188 1.00 97.53 C +HETATM 18 C HYP A 3 -14.710 23.390 -13.871 1.00 98.02 C +HETATM 19 O HYP A 3 -14.312 24.017 -12.859 1.00 97.21 O +HETATM 20 CB HYP A 3 -13.596 24.321 -15.947 1.00 96.68 C +HETATM 21 CG HYP A 3 -13.706 25.684 -16.581 1.00 95.90 C +HETATM 22 CD HYP A 3 -14.522 26.494 -15.570 1.00 96.34 C +HETATM 23 OD1 HYP A 3 -14.377 25.649 -17.798 1.00 94.98 O +ATOM 24 N GLY A 4 -14.964 22.085 -13.899 1.00 96.91 N +ATOM 25 CA GLY A 4 -14.810 21.281 -12.712 1.00 96.56 C +ATOM 26 C GLY A 4 -13.360 21.192 -12.272 1.00 96.63 C +ATOM 27 O GLY A 4 -12.435 21.334 -13.077 1.00 96.61 O +ATOM 28 N LYS A 5 -13.174 20.948 -10.956 1.00 96.59 N +ATOM 29 CA LYS A 5 -11.833 20.807 -10.399 1.00 96.30 C +ATOM 30 C LYS A 5 -11.293 19.417 -10.689 1.00 96.60 C +ATOM 31 O LYS A 5 -12.049 18.475 -10.899 1.00 95.97 O +ATOM 32 CB LYS A 5 -11.860 21.027 -8.891 1.00 94.71 C +ATOM 33 CG LYS A 5 -12.309 22.408 -8.475 1.00 88.66 C +ATOM 34 CD LYS A 5 -12.376 22.521 -6.968 1.00 85.67 C +ATOM 35 CE LYS A 5 -12.887 23.876 -6.531 1.00 79.18 C +ATOM 36 NZ LYS A 5 -12.998 23.973 -5.058 1.00 75.04 N +ATOM 37 N ARG A 6 -9.968 19.289 -10.674 1.00 97.12 N +ATOM 38 CA ARG A 6 -9.339 17.989 -10.877 1.00 97.27 C +ATOM 39 C ARG A 6 -9.684 17.080 -9.703 1.00 97.62 C +ATOM 40 O ARG A 6 -9.751 17.523 -8.564 1.00 97.23 O +ATOM 41 CB ARG A 6 -7.824 18.150 -11.011 1.00 95.70 C +ATOM 42 CG ARG A 6 -7.099 16.843 -11.264 1.00 89.15 C +ATOM 43 CD ARG A 6 -5.638 17.088 -11.582 1.00 86.44 C +ATOM 44 NE ARG A 6 -5.470 17.743 -12.868 1.00 81.42 N +ATOM 45 CZ ARG A 6 -4.315 18.201 -13.334 1.00 78.51 C +ATOM 46 NH1 ARG A 6 -3.207 18.079 -12.615 1.00 75.75 N +ATOM 47 NH2 ARG A 6 -4.263 18.776 -14.518 1.00 73.58 N +ATOM 48 N GLY A 7 -9.889 15.828 -9.996 1.00 97.26 N +ATOM 49 CA GLY A 7 -10.229 14.870 -8.962 1.00 96.85 C +ATOM 50 C GLY A 7 -9.116 14.662 -7.962 1.00 97.14 C +ATOM 51 O GLY A 7 -7.948 14.919 -8.247 1.00 97.03 O +ATOM 52 N LYS A 8 -9.499 14.179 -6.790 1.00 97.87 N +ATOM 53 CA LYS A 8 -8.543 13.905 -5.726 1.00 97.96 C +ATOM 54 C LYS A 8 -7.808 12.608 -5.999 1.00 98.16 C +ATOM 55 O LYS A 8 -8.310 11.737 -6.703 1.00 97.93 O +ATOM 56 CB LYS A 8 -9.263 13.814 -4.388 1.00 96.95 C +ATOM 57 CG LYS A 8 -9.944 15.103 -3.981 1.00 91.92 C +ATOM 58 CD LYS A 8 -10.660 14.948 -2.656 1.00 89.47 C +ATOM 59 CE LYS A 8 -11.362 16.233 -2.254 1.00 84.25 C +ATOM 60 NZ LYS A 8 -12.065 16.084 -0.960 1.00 80.90 N +HETATM 61 N HYP A 9 -6.635 12.468 -5.420 1.00 98.18 N +HETATM 62 CA HYP A 9 -5.881 11.209 -5.543 1.00 98.23 C +HETATM 63 C HYP A 9 -6.629 10.064 -4.980 1.00 98.32 C +HETATM 64 O HYP A 9 -7.388 10.204 -4.010 1.00 97.79 O +HETATM 65 CB HYP A 9 -4.580 11.448 -4.725 1.00 96.63 C +HETATM 66 CG HYP A 9 -4.419 12.944 -4.700 1.00 95.63 C +HETATM 67 CD HYP A 9 -5.837 13.476 -4.706 1.00 96.56 C +HETATM 68 OD1 HYP A 9 -3.740 13.394 -5.867 1.00 94.60 O +ATOM 69 N GLY A 10 -6.429 8.862 -5.520 1.00 98.29 N +ATOM 70 CA GLY A 10 -7.077 7.667 -5.039 1.00 98.05 C +ATOM 71 C GLY A 10 -6.534 7.240 -3.689 1.00 98.10 C +ATOM 72 O GLY A 10 -5.479 7.698 -3.240 1.00 97.92 O +ATOM 73 N VAL A 11 -7.275 6.321 -3.049 1.00 98.15 N +ATOM 74 CA VAL A 11 -6.878 5.785 -1.750 1.00 97.92 C +ATOM 75 C VAL A 11 -5.633 4.916 -1.921 1.00 98.17 C +ATOM 76 O VAL A 11 -5.517 4.173 -2.894 1.00 97.73 O +ATOM 77 CB VAL A 11 -8.024 4.964 -1.138 1.00 97.50 C +ATOM 78 CG1 VAL A 11 -7.607 4.332 0.179 1.00 94.65 C +ATOM 79 CG2 VAL A 11 -9.244 5.854 -0.928 1.00 93.95 C +ATOM 80 N ARG A 12 -4.716 4.994 -0.947 1.00 97.87 N +ATOM 81 CA ARG A 12 -3.504 4.189 -0.994 1.00 97.63 C +ATOM 82 C ARG A 12 -3.868 2.715 -0.892 1.00 97.86 C +ATOM 83 O ARG A 12 -4.734 2.330 -0.116 1.00 97.38 O +ATOM 84 CB ARG A 12 -2.551 4.574 0.142 1.00 96.49 C +ATOM 85 CG ARG A 12 -1.273 3.763 0.157 1.00 90.97 C +ATOM 86 CD ARG A 12 -0.346 4.208 1.253 1.00 88.07 C +ATOM 87 NE ARG A 12 0.202 5.524 0.996 1.00 83.36 N +ATOM 88 CZ ARG A 12 1.033 6.171 1.813 1.00 80.19 C +ATOM 89 NH1 ARG A 12 1.405 5.618 2.955 1.00 77.12 N +ATOM 90 NH2 ARG A 12 1.490 7.361 1.487 1.00 75.46 N +ATOM 91 N GLY A 13 -3.187 1.908 -1.680 1.00 97.81 N +ATOM 92 CA GLY A 13 -3.445 0.479 -1.663 1.00 97.53 C +ATOM 93 C GLY A 13 -2.964 -0.170 -0.381 1.00 97.70 C +ATOM 94 O GLY A 13 -2.232 0.436 0.405 1.00 97.76 O +ATOM 95 N PRO A 14 -3.351 -1.441 -0.148 1.00 98.05 N +ATOM 96 CA PRO A 14 -2.939 -2.133 1.066 1.00 97.88 C +ATOM 97 C PRO A 14 -1.443 -2.421 1.067 1.00 98.07 C +ATOM 98 O PRO A 14 -0.807 -2.497 0.018 1.00 97.56 O +ATOM 99 CB PRO A 14 -3.763 -3.424 1.042 1.00 96.97 C +ATOM 100 CG PRO A 14 -3.976 -3.668 -0.411 1.00 95.39 C +ATOM 101 CD PRO A 14 -4.178 -2.290 -0.997 1.00 97.20 C +ATOM 102 N ARG A 15 -0.885 -2.590 2.257 1.00 97.97 N +ATOM 103 CA ARG A 15 0.528 -2.909 2.388 1.00 97.99 C +ATOM 104 C ARG A 15 0.781 -4.308 1.847 1.00 98.18 C +ATOM 105 O ARG A 15 -0.073 -5.193 1.965 1.00 97.60 O +ATOM 106 CB ARG A 15 0.956 -2.811 3.849 1.00 96.86 C +ATOM 107 CG ARG A 15 2.441 -3.007 4.055 1.00 92.04 C +ATOM 108 CD ARG A 15 2.870 -2.571 5.435 1.00 88.33 C +ATOM 109 NE ARG A 15 4.305 -2.703 5.610 1.00 82.65 N +ATOM 110 CZ ARG A 15 5.020 -2.002 6.473 1.00 78.63 C +ATOM 111 NH1 ARG A 15 4.437 -1.105 7.254 1.00 74.55 N +ATOM 112 NH2 ARG A 15 6.320 -2.189 6.565 1.00 73.20 N +ATOM 113 N GLY A 16 1.948 -4.497 1.265 1.00 98.22 N +ATOM 114 CA GLY A 16 2.299 -5.785 0.705 1.00 98.01 C +ATOM 115 C GLY A 16 2.480 -6.856 1.772 1.00 98.23 C +ATOM 116 O GLY A 16 2.522 -6.548 2.963 1.00 98.24 O +ATOM 117 N PRO A 17 2.591 -8.117 1.352 1.00 97.94 N +ATOM 118 CA PRO A 17 2.742 -9.221 2.296 1.00 97.75 C +ATOM 119 C PRO A 17 4.099 -9.210 2.974 1.00 98.00 C +ATOM 120 O PRO A 17 5.051 -8.625 2.462 1.00 97.71 O +ATOM 121 CB PRO A 17 2.564 -10.460 1.422 1.00 96.95 C +ATOM 122 CG PRO A 17 3.047 -10.018 0.086 1.00 95.52 C +ATOM 123 CD PRO A 17 2.567 -8.590 -0.032 1.00 97.17 C +HETATM 124 N HYP A 18 4.220 -9.883 4.107 1.00 98.17 N +HETATM 125 CA HYP A 18 5.438 -10.035 4.823 1.00 97.69 C +HETATM 126 C HYP A 18 6.492 -10.772 3.972 1.00 98.37 C +HETATM 127 O HYP A 18 6.120 -11.591 3.113 1.00 97.80 O +HETATM 128 CB HYP A 18 5.049 -10.876 6.038 1.00 97.34 C +HETATM 129 CG HYP A 18 3.571 -10.587 6.248 1.00 96.00 C +HETATM 130 CD HYP A 18 3.065 -10.430 4.841 1.00 96.73 C +HETATM 131 OD1 HYP A 18 3.374 -9.389 6.982 1.00 95.69 O +ATOM 132 N GLY A 19 7.720 -10.472 4.184 1.00 98.32 N +ATOM 133 CA GLY A 19 8.774 -11.151 3.478 1.00 98.28 C +ATOM 134 C GLY A 19 8.881 -12.598 3.931 1.00 98.32 C +ATOM 135 O GLY A 19 8.230 -13.016 4.891 1.00 98.29 O +ATOM 136 N PRO A 20 9.720 -13.380 3.248 1.00 97.81 N +ATOM 137 CA PRO A 20 9.890 -14.783 3.591 1.00 97.65 C +ATOM 138 C PRO A 20 10.609 -14.955 4.921 1.00 97.84 C +ATOM 139 O PRO A 20 11.327 -14.062 5.369 1.00 97.43 O +ATOM 140 CB PRO A 20 10.711 -15.331 2.427 1.00 96.68 C +ATOM 141 CG PRO A 20 11.492 -14.146 1.967 1.00 95.02 C +ATOM 142 CD PRO A 20 10.541 -12.989 2.108 1.00 96.93 C +HETATM 143 N HYP A 21 10.449 -16.103 5.550 1.00 97.75 N +HETATM 144 CA HYP A 21 11.158 -16.435 6.770 1.00 97.35 C +HETATM 145 C HYP A 21 12.674 -16.410 6.586 1.00 97.77 C +HETATM 146 O HYP A 21 13.153 -16.725 5.502 1.00 97.66 O +HETATM 147 CB HYP A 21 10.696 -17.885 7.075 1.00 96.55 C +HETATM 148 CG HYP A 21 9.342 -18.014 6.416 1.00 94.83 C +HETATM 149 CD HYP A 21 9.491 -17.152 5.173 1.00 96.04 C +HETATM 150 OD1 HYP A 21 8.316 -17.467 7.236 1.00 94.59 O +ATOM 151 N GLY A 22 13.378 -16.023 7.618 1.00 97.82 N +ATOM 152 CA GLY A 22 14.811 -15.984 7.564 1.00 97.77 C +ATOM 153 C GLY A 22 15.385 -17.388 7.477 1.00 97.91 C +ATOM 154 O GLY A 22 14.671 -18.378 7.622 1.00 97.80 O +ATOM 155 N PRO A 23 16.700 -17.488 7.257 1.00 96.73 N +ATOM 156 CA PRO A 23 17.346 -18.791 7.143 1.00 96.35 C +ATOM 157 C PRO A 23 17.364 -19.526 8.472 1.00 96.63 C +ATOM 158 O PRO A 23 17.288 -18.919 9.531 1.00 95.81 O +ATOM 159 CB PRO A 23 18.749 -18.436 6.660 1.00 94.94 C +ATOM 160 CG PRO A 23 18.972 -17.067 7.192 1.00 92.98 C +ATOM 161 CD PRO A 23 17.639 -16.384 7.079 1.00 95.56 C +HETATM 162 N HYP A 24 17.491 -20.829 8.441 1.00 96.15 N +HETATM 163 CA HYP A 24 17.586 -21.650 9.624 1.00 95.49 C +HETATM 164 C HYP A 24 18.806 -21.303 10.474 1.00 96.07 C +HETATM 165 O HYP A 24 19.796 -20.842 9.939 1.00 95.42 O +HETATM 166 CB HYP A 24 17.793 -23.079 9.032 1.00 94.21 C +HETATM 167 CG HYP A 24 17.163 -23.044 7.667 1.00 92.51 C +HETATM 168 CD HYP A 24 17.449 -21.621 7.196 1.00 93.80 C +HETATM 169 OD1 HYP A 24 15.759 -23.239 7.733 1.00 91.32 O +ATOM 170 N GLY A 25 18.699 -21.492 11.770 1.00 95.41 N +ATOM 171 CA GLY A 25 19.802 -21.217 12.658 1.00 95.37 C +ATOM 172 C GLY A 25 20.962 -22.163 12.383 1.00 95.91 C +ATOM 173 O GLY A 25 20.817 -23.142 11.647 1.00 95.64 O +ATOM 174 N PRO A 26 22.136 -21.906 12.988 1.00 93.51 N +ATOM 175 CA PRO A 26 23.300 -22.753 12.764 1.00 93.37 C +ATOM 176 C PRO A 26 23.119 -24.123 13.385 1.00 93.22 C +ATOM 177 O PRO A 26 22.450 -24.273 14.405 1.00 90.41 O +ATOM 178 CB PRO A 26 24.433 -21.967 13.430 1.00 91.11 C +ATOM 179 CG PRO A 26 23.741 -21.188 14.488 1.00 89.16 C +ATOM 180 CD PRO A 26 22.419 -20.803 13.888 1.00 91.80 C +HETATM 181 N HYP A 27 23.765 -25.127 12.841 1.00 94.59 N +HETATM 182 CA HYP A 27 23.611 -26.475 13.368 1.00 90.80 C +HETATM 183 C HYP A 27 24.189 -26.570 14.783 1.00 87.57 C +HETATM 184 O HYP A 27 25.257 -25.984 15.024 1.00 90.94 O +HETATM 185 CB HYP A 27 24.437 -27.382 12.407 1.00 88.62 C +HETATM 186 CG HYP A 27 24.703 -26.572 11.158 1.00 86.22 C +HETATM 187 CD HYP A 27 24.588 -25.114 11.614 1.00 91.66 C +HETATM 188 OD1 HYP A 27 23.688 -26.832 10.221 1.00 86.98 O +HETATM 189 OXT HYP A 27 23.499 -27.242 15.604 1.00 88.12 O +TER 190 HYP A 27 +END diff --git a/protein_pdb_55.txt b/protein_pdb_55.txt new file mode 100644 index 0000000000000000000000000000000000000000..40e15a2a905ea8d43ecc40d29b9b600daa43abec --- /dev/null +++ b/protein_pdb_55.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 24.952 -24.347 -4.702 1.00 94.20 N +ATOM 2 CA GLY A 1 25.245 -22.918 -4.657 1.00 95.52 C +ATOM 3 C GLY A 1 24.316 -22.193 -3.712 1.00 95.81 C +ATOM 4 O GLY A 1 23.330 -22.767 -3.249 1.00 94.73 O +ATOM 5 N PRO A 2 24.586 -20.929 -3.402 1.00 96.40 N +ATOM 6 CA PRO A 2 23.733 -20.164 -2.491 1.00 96.88 C +ATOM 7 C PRO A 2 22.388 -19.837 -3.123 1.00 96.94 C +ATOM 8 O PRO A 2 22.261 -19.775 -4.340 1.00 96.43 O +ATOM 9 CB PRO A 2 24.543 -18.892 -2.214 1.00 95.55 C +ATOM 10 CG PRO A 2 25.373 -18.733 -3.437 1.00 93.05 C +ATOM 11 CD PRO A 2 25.724 -20.136 -3.872 1.00 94.92 C +HETATM 12 N HYP A 3 21.456 -19.678 -2.345 1.00 96.08 N +HETATM 13 CA HYP A 3 20.067 -19.241 -2.761 1.00 94.48 C +HETATM 14 C HYP A 3 20.067 -17.890 -3.467 1.00 94.37 C +HETATM 15 O HYP A 3 20.887 -17.006 -3.172 1.00 95.73 O +HETATM 16 CB HYP A 3 19.364 -19.155 -1.417 1.00 93.79 C +HETATM 17 CG HYP A 3 20.152 -20.030 -0.444 1.00 92.48 C +HETATM 18 CD HYP A 3 21.593 -19.828 -0.912 1.00 95.39 C +HETATM 19 OD1 HYP A 3 19.811 -21.384 -0.567 1.00 93.89 O +ATOM 20 N GLY A 4 19.130 -17.705 -4.389 1.00 96.02 N +ATOM 21 CA GLY A 4 18.986 -16.442 -5.069 1.00 95.48 C +ATOM 22 C GLY A 4 18.344 -15.404 -4.159 1.00 95.70 C +ATOM 23 O GLY A 4 17.847 -15.737 -3.074 1.00 95.79 O +ATOM 24 N PRO A 5 18.330 -14.140 -4.584 1.00 96.01 N +ATOM 25 CA PRO A 5 17.740 -13.081 -3.765 1.00 96.08 C +ATOM 26 C PRO A 5 16.223 -13.174 -3.732 1.00 96.13 C +ATOM 27 O PRO A 5 15.605 -13.734 -4.629 1.00 96.06 O +ATOM 28 CB PRO A 5 18.213 -11.797 -4.447 1.00 94.63 C +ATOM 29 CG PRO A 5 18.362 -12.201 -5.878 1.00 92.58 C +ATOM 30 CD PRO A 5 18.878 -13.621 -5.830 1.00 94.71 C +HETATM 31 N HYP A 6 15.646 -12.624 -2.700 1.00 94.05 N +HETATM 32 CA HYP A 6 14.158 -12.509 -2.605 1.00 95.29 C +HETATM 33 C HYP A 6 13.584 -11.692 -3.737 1.00 92.49 C +HETATM 34 O HYP A 6 14.254 -10.759 -4.260 1.00 93.64 O +HETATM 35 CB HYP A 6 13.965 -11.792 -1.257 1.00 90.29 C +HETATM 36 CG HYP A 6 15.205 -12.065 -0.434 1.00 88.98 C +HETATM 37 CD HYP A 6 16.279 -12.114 -1.499 1.00 92.17 C +HETATM 38 OD1 HYP A 6 15.125 -13.313 0.217 1.00 92.04 O +ATOM 39 N GLY A 7 12.341 -11.989 -4.148 1.00 96.51 N +ATOM 40 CA GLY A 7 11.663 -11.243 -5.182 1.00 95.99 C +ATOM 41 C GLY A 7 11.292 -9.841 -4.702 1.00 96.12 C +ATOM 42 O GLY A 7 11.406 -9.527 -3.520 1.00 95.89 O +ATOM 43 N PRO A 8 10.823 -8.993 -5.625 1.00 95.42 N +ATOM 44 CA PRO A 8 10.445 -7.633 -5.259 1.00 95.16 C +ATOM 45 C PRO A 8 9.180 -7.601 -4.416 1.00 94.84 C +ATOM 46 O PRO A 8 8.368 -8.517 -4.463 1.00 94.46 O +ATOM 47 CB PRO A 8 10.245 -6.939 -6.604 1.00 93.84 C +ATOM 48 CG PRO A 8 9.843 -8.054 -7.514 1.00 93.01 C +ATOM 49 CD PRO A 8 10.643 -9.249 -7.046 1.00 94.69 C +HETATM 50 N HYP A 9 8.973 -6.543 -3.656 1.00 91.67 N +HETATM 51 CA HYP A 9 7.772 -6.325 -2.869 1.00 93.18 C +HETATM 52 C HYP A 9 6.552 -6.210 -3.725 1.00 91.37 C +HETATM 53 O HYP A 9 6.601 -5.664 -4.860 1.00 93.01 O +HETATM 54 CB HYP A 9 8.060 -4.988 -2.134 1.00 91.41 C +HETATM 55 CG HYP A 9 9.540 -4.894 -2.091 1.00 89.30 C +HETATM 56 CD HYP A 9 9.953 -5.535 -3.374 1.00 91.49 C +HETATM 57 OD1 HYP A 9 10.054 -5.645 -1.000 1.00 88.59 O +ATOM 58 N GLY A 10 5.386 -6.664 -3.228 1.00 94.09 N +ATOM 59 CA GLY A 10 4.131 -6.568 -3.937 1.00 92.68 C +ATOM 60 C GLY A 10 3.647 -5.135 -4.058 1.00 92.71 C +ATOM 61 O GLY A 10 4.141 -4.226 -3.378 1.00 92.06 O +ATOM 62 N GLU A 11 2.645 -4.933 -4.933 1.00 94.51 N +ATOM 63 CA GLU A 11 2.066 -3.609 -5.158 1.00 94.84 C +ATOM 64 C GLU A 11 1.293 -3.154 -3.918 1.00 94.54 C +ATOM 65 O GLU A 11 0.628 -3.949 -3.253 1.00 91.71 O +ATOM 66 CB GLU A 11 1.119 -3.638 -6.358 1.00 92.10 C +ATOM 67 CG GLU A 11 1.822 -3.876 -7.687 1.00 85.10 C +ATOM 68 CD GLU A 11 2.330 -2.594 -8.329 1.00 81.12 C +ATOM 69 OE1 GLU A 11 1.960 -1.502 -7.866 1.00 76.10 O +ATOM 70 OE2 GLU A 11 3.082 -2.700 -9.312 1.00 76.04 O +ATOM 71 N ARG A 12 1.371 -1.858 -3.604 1.00 94.65 N +ATOM 72 CA ARG A 12 0.597 -1.301 -2.503 1.00 94.45 C +ATOM 73 C ARG A 12 -0.873 -1.285 -2.899 1.00 94.87 C +ATOM 74 O ARG A 12 -1.205 -1.035 -4.059 1.00 92.89 O +ATOM 75 CB ARG A 12 1.087 0.122 -2.179 1.00 90.91 C +ATOM 76 CG ARG A 12 0.427 0.706 -0.939 1.00 84.99 C +ATOM 77 CD ARG A 12 0.968 2.085 -0.628 1.00 82.33 C +ATOM 78 NE ARG A 12 0.449 2.597 0.645 1.00 77.16 N +ATOM 79 CZ ARG A 12 0.775 3.756 1.183 1.00 74.19 C +ATOM 80 NH1 ARG A 12 1.618 4.583 0.573 1.00 72.55 N +ATOM 81 NH2 ARG A 12 0.268 4.123 2.345 1.00 68.22 N +ATOM 82 N GLY A 13 -1.735 -1.571 -1.923 1.00 93.42 N +ATOM 83 CA GLY A 13 -3.163 -1.560 -2.186 1.00 92.44 C +ATOM 84 C GLY A 13 -3.680 -0.169 -2.500 1.00 93.13 C +ATOM 85 O GLY A 13 -2.971 0.822 -2.327 1.00 93.37 O +ATOM 86 N PRO A 14 -4.946 -0.067 -2.968 1.00 93.82 N +ATOM 87 CA PRO A 14 -5.526 1.239 -3.296 1.00 93.77 C +ATOM 88 C PRO A 14 -5.741 2.081 -2.051 1.00 93.51 C +ATOM 89 O PRO A 14 -5.838 1.560 -0.944 1.00 93.22 O +ATOM 90 CB PRO A 14 -6.846 0.880 -3.976 1.00 91.78 C +ATOM 91 CG PRO A 14 -7.201 -0.450 -3.407 1.00 89.90 C +ATOM 92 CD PRO A 14 -5.887 -1.159 -3.229 1.00 91.75 C +HETATM 93 N HYP A 15 -5.864 3.398 -2.217 1.00 87.29 N +HETATM 94 CA HYP A 15 -6.133 4.328 -1.157 1.00 86.97 C +HETATM 95 C HYP A 15 -7.470 4.041 -0.452 1.00 88.28 C +HETATM 96 O HYP A 15 -8.388 3.485 -1.101 1.00 87.45 O +HETATM 97 CB HYP A 15 -6.173 5.670 -1.896 1.00 86.43 C +HETATM 98 CG HYP A 15 -5.302 5.438 -3.106 1.00 84.59 C +HETATM 99 CD HYP A 15 -5.614 4.021 -3.462 1.00 87.54 C +HETATM 100 OD1 HYP A 15 -3.948 5.559 -2.774 1.00 86.63 O +ATOM 101 N GLY A 16 -7.562 4.324 0.797 1.00 95.50 N +ATOM 102 CA GLY A 16 -8.791 4.146 1.517 1.00 94.55 C +ATOM 103 C GLY A 16 -9.839 5.152 1.076 1.00 94.71 C +ATOM 104 O GLY A 16 -9.544 6.086 0.322 1.00 95.22 O +ATOM 105 N PRO A 17 -11.088 4.971 1.531 1.00 89.64 N +ATOM 106 CA PRO A 17 -12.166 5.882 1.151 1.00 90.09 C +ATOM 107 C PRO A 17 -11.999 7.250 1.786 1.00 90.03 C +ATOM 108 O PRO A 17 -11.350 7.396 2.812 1.00 91.50 O +ATOM 109 CB PRO A 17 -13.422 5.177 1.655 1.00 88.17 C +ATOM 110 CG PRO A 17 -12.936 4.388 2.814 1.00 85.96 C +ATOM 111 CD PRO A 17 -11.558 3.918 2.426 1.00 87.50 C +HETATM 112 N HYP A 18 -12.595 8.274 1.208 1.00 90.77 N +HETATM 113 CA HYP A 18 -12.620 9.615 1.756 1.00 92.98 C +HETATM 114 C HYP A 18 -13.335 9.679 3.109 1.00 89.06 C +HETATM 115 O HYP A 18 -14.205 8.827 3.412 1.00 94.15 O +HETATM 116 CB HYP A 18 -13.405 10.386 0.707 1.00 89.33 C +HETATM 117 CG HYP A 18 -13.241 9.635 -0.563 1.00 87.29 C +HETATM 118 CD HYP A 18 -13.179 8.214 -0.096 1.00 92.31 C +HETATM 119 OD1 HYP A 18 -12.047 9.979 -1.219 1.00 92.28 O +ATOM 120 N GLY A 19 -12.964 10.609 3.930 1.00 94.22 N +ATOM 121 CA GLY A 19 -13.612 10.800 5.201 1.00 93.55 C +ATOM 122 C GLY A 19 -15.039 11.295 5.021 1.00 93.51 C +ATOM 123 O GLY A 19 -15.458 11.625 3.910 1.00 93.56 O +ATOM 124 N PRO A 20 -15.805 11.359 6.112 1.00 92.30 N +ATOM 125 CA PRO A 20 -17.191 11.805 6.035 1.00 92.46 C +ATOM 126 C PRO A 20 -17.292 13.288 5.707 1.00 91.72 C +ATOM 127 O PRO A 20 -16.368 14.052 5.965 1.00 91.86 O +ATOM 128 CB PRO A 20 -17.741 11.494 7.433 1.00 90.24 C +ATOM 129 CG PRO A 20 -16.536 11.558 8.307 1.00 87.79 C +ATOM 130 CD PRO A 20 -15.418 10.999 7.474 1.00 90.00 C +HETATM 131 N HYP A 21 -18.411 13.726 5.183 1.00 94.66 N +HETATM 132 CA HYP A 21 -18.674 15.113 4.849 1.00 91.59 C +HETATM 133 C HYP A 21 -18.764 16.027 6.080 1.00 91.57 C +HETATM 134 O HYP A 21 -19.143 15.562 7.167 1.00 95.00 O +HETATM 135 CB HYP A 21 -20.110 15.055 4.223 1.00 91.33 C +HETATM 136 CG HYP A 21 -20.252 13.673 3.698 1.00 89.05 C +HETATM 137 CD HYP A 21 -19.478 12.851 4.701 1.00 93.15 C +HETATM 138 OD1 HYP A 21 -19.632 13.539 2.423 1.00 92.21 O +ATOM 139 N GLY A 22 -18.355 17.257 5.952 1.00 94.64 N +ATOM 140 CA GLY A 22 -18.460 18.210 7.021 1.00 94.27 C +ATOM 141 C GLY A 22 -19.911 18.551 7.298 1.00 94.52 C +ATOM 142 O GLY A 22 -20.814 18.101 6.578 1.00 93.60 O +ATOM 143 N PRO A 23 -20.188 19.371 8.312 1.00 94.70 N +ATOM 144 CA PRO A 23 -21.565 19.730 8.643 1.00 94.89 C +ATOM 145 C PRO A 23 -22.176 20.618 7.573 1.00 94.12 C +ATOM 146 O PRO A 23 -21.472 21.320 6.855 1.00 92.03 O +ATOM 147 CB PRO A 23 -21.426 20.466 9.976 1.00 92.50 C +ATOM 148 CG PRO A 23 -20.051 21.021 9.939 1.00 90.51 C +ATOM 149 CD PRO A 23 -19.227 19.988 9.215 1.00 92.82 C +HETATM 150 N HYP A 24 -23.530 20.693 7.474 1.00 94.79 N +HETATM 151 CA HYP A 24 -24.132 21.527 6.429 1.00 89.92 C +HETATM 152 C HYP A 24 -23.891 23.009 6.737 1.00 89.48 C +HETATM 153 O HYP A 24 -24.193 23.854 5.966 1.00 91.09 O +HETATM 154 CB HYP A 24 -25.681 21.267 6.641 1.00 91.77 C +HETATM 155 CG HYP A 24 -25.810 19.999 7.389 1.00 88.94 C +HETATM 156 CD HYP A 24 -24.528 19.929 8.231 1.00 93.14 C +HETATM 157 OD1 HYP A 24 -25.813 18.912 6.489 1.00 88.08 O +HETATM 158 OXT HYP A 24 -23.397 23.275 7.824 1.00 88.22 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_550.txt b/protein_pdb_550.txt new file mode 100644 index 0000000000000000000000000000000000000000..125211dd6e3913bb92be58c0453dc599d9fc51aa --- /dev/null +++ b/protein_pdb_550.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 16.992 -28.773 -11.161 1.00 84.20 N +ATOM 2 CA GLY A 1 17.342 -27.518 -11.825 1.00 87.72 C +ATOM 3 C GLY A 1 17.423 -26.375 -10.841 1.00 87.91 C +ATOM 4 O GLY A 1 17.103 -26.539 -9.663 1.00 83.83 O +ATOM 5 N PRO A 2 17.828 -25.198 -11.281 1.00 90.10 N +ATOM 6 CA PRO A 2 17.915 -24.042 -10.391 1.00 92.18 C +ATOM 7 C PRO A 2 16.531 -23.564 -9.976 1.00 92.24 C +ATOM 8 O PRO A 2 15.539 -23.824 -10.647 1.00 90.54 O +ATOM 9 CB PRO A 2 18.639 -22.988 -11.228 1.00 89.40 C +ATOM 10 CG PRO A 2 18.320 -23.360 -12.624 1.00 84.65 C +ATOM 11 CD PRO A 2 18.219 -24.864 -12.644 1.00 86.92 C +HETATM 12 N HYP A 3 16.480 -22.933 -8.889 1.00 93.48 N +HETATM 13 CA HYP A 3 15.241 -22.260 -8.394 1.00 89.58 C +HETATM 14 C HYP A 3 14.651 -21.292 -9.388 1.00 92.67 C +HETATM 15 O HYP A 3 15.377 -20.613 -10.139 1.00 89.95 O +HETATM 16 CB HYP A 3 15.750 -21.558 -7.163 1.00 89.08 C +HETATM 17 CG HYP A 3 16.982 -22.294 -6.715 1.00 87.38 C +HETATM 18 CD HYP A 3 17.610 -22.702 -8.023 1.00 92.13 C +HETATM 19 OD1 HYP A 3 16.668 -23.422 -5.962 1.00 90.75 O +ATOM 20 N GLY A 4 13.310 -21.203 -9.407 1.00 92.62 N +ATOM 21 CA GLY A 4 12.639 -20.252 -10.260 1.00 92.08 C +ATOM 22 C GLY A 4 12.778 -18.837 -9.721 1.00 92.10 C +ATOM 23 O GLY A 4 13.274 -18.625 -8.613 1.00 91.10 O +ATOM 24 N PRO A 5 12.332 -17.852 -10.487 1.00 94.41 N +ATOM 25 CA PRO A 5 12.439 -16.464 -10.051 1.00 94.68 C +ATOM 26 C PRO A 5 11.470 -16.154 -8.916 1.00 95.03 C +ATOM 27 O PRO A 5 10.442 -16.810 -8.771 1.00 94.05 O +ATOM 28 CB PRO A 5 12.100 -15.664 -11.304 1.00 93.01 C +ATOM 29 CG PRO A 5 11.206 -16.577 -12.069 1.00 90.24 C +ATOM 30 CD PRO A 5 11.716 -17.971 -11.798 1.00 92.37 C +HETATM 31 N HYP A 6 11.812 -15.187 -8.130 1.00 94.35 N +HETATM 32 CA HYP A 6 10.881 -14.661 -7.092 1.00 93.59 C +HETATM 33 C HYP A 6 9.599 -14.123 -7.639 1.00 93.39 C +HETATM 34 O HYP A 6 9.548 -13.629 -8.801 1.00 90.83 O +HETATM 35 CB HYP A 6 11.692 -13.535 -6.454 1.00 89.60 C +HETATM 36 CG HYP A 6 13.124 -13.870 -6.727 1.00 88.32 C +HETATM 37 CD HYP A 6 13.049 -14.513 -8.087 1.00 91.40 C +HETATM 38 OD1 HYP A 6 13.617 -14.774 -5.782 1.00 88.33 O +ATOM 39 N GLY A 7 8.525 -14.198 -6.873 1.00 94.21 N +ATOM 40 CA GLY A 7 7.251 -13.654 -7.283 1.00 93.49 C +ATOM 41 C GLY A 7 7.273 -12.133 -7.297 1.00 93.72 C +ATOM 42 O GLY A 7 8.243 -11.505 -6.858 1.00 93.07 O +ATOM 43 N PRO A 8 6.205 -11.534 -7.782 1.00 94.22 N +ATOM 44 CA PRO A 8 6.131 -10.074 -7.835 1.00 94.56 C +ATOM 45 C PRO A 8 5.974 -9.468 -6.444 1.00 94.74 C +ATOM 46 O PRO A 8 5.484 -10.118 -5.525 1.00 94.12 O +ATOM 47 CB PRO A 8 4.904 -9.806 -8.702 1.00 93.23 C +ATOM 48 CG PRO A 8 4.060 -11.011 -8.486 1.00 92.03 C +ATOM 49 CD PRO A 8 5.008 -12.167 -8.315 1.00 93.37 C +HETATM 50 N HYP A 9 6.356 -8.247 -6.277 1.00 92.17 N +HETATM 51 CA HYP A 9 6.150 -7.480 -5.056 1.00 90.68 C +HETATM 52 C HYP A 9 4.707 -7.286 -4.753 1.00 91.87 C +HETATM 53 O HYP A 9 3.858 -7.206 -5.663 1.00 86.09 O +HETATM 54 CB HYP A 9 6.789 -6.081 -5.380 1.00 88.76 C +HETATM 55 CG HYP A 9 7.799 -6.393 -6.413 1.00 86.84 C +HETATM 56 CD HYP A 9 7.150 -7.497 -7.191 1.00 89.63 C +HETATM 57 OD1 HYP A 9 8.982 -6.870 -5.809 1.00 81.74 O +ATOM 58 N GLY A 10 4.364 -7.173 -3.468 1.00 91.91 N +ATOM 59 CA GLY A 10 3.009 -6.888 -3.056 1.00 90.18 C +ATOM 60 C GLY A 10 2.590 -5.478 -3.444 1.00 90.31 C +ATOM 61 O GLY A 10 3.413 -4.642 -3.824 1.00 90.18 O +ATOM 62 N TYR A 11 1.276 -5.223 -3.351 1.00 87.37 N +ATOM 63 CA TYR A 11 0.733 -3.913 -3.691 1.00 86.95 C +ATOM 64 C TYR A 11 0.751 -2.980 -2.493 1.00 85.57 C +ATOM 65 O TYR A 11 0.575 -3.402 -1.352 1.00 83.54 O +ATOM 66 CB TYR A 11 -0.707 -4.051 -4.194 1.00 85.18 C +ATOM 67 CG TYR A 11 -0.842 -4.870 -5.448 1.00 82.05 C +ATOM 68 CD1 TYR A 11 -0.048 -4.621 -6.550 1.00 80.15 C +ATOM 69 CD2 TYR A 11 -1.787 -5.891 -5.541 1.00 78.25 C +ATOM 70 CE1 TYR A 11 -0.175 -5.369 -7.709 1.00 76.33 C +ATOM 71 CE2 TYR A 11 -1.924 -6.639 -6.690 1.00 76.65 C +ATOM 72 CZ TYR A 11 -1.120 -6.375 -7.772 1.00 77.36 C +ATOM 73 OH TYR A 11 -1.241 -7.120 -8.923 1.00 77.77 O +ATOM 74 N LEU A 12 0.938 -1.688 -2.774 1.00 85.70 N +ATOM 75 CA LEU A 12 0.874 -0.675 -1.734 1.00 85.81 C +ATOM 76 C LEU A 12 -0.539 -0.656 -1.149 1.00 85.77 C +ATOM 77 O LEU A 12 -1.521 -0.798 -1.875 1.00 81.49 O +ATOM 78 CB LEU A 12 1.228 0.695 -2.323 1.00 81.99 C +ATOM 79 CG LEU A 12 1.244 1.876 -1.353 1.00 74.95 C +ATOM 80 CD1 LEU A 12 2.335 1.710 -0.317 1.00 72.45 C +ATOM 81 CD2 LEU A 12 1.449 3.177 -2.119 1.00 68.98 C +ATOM 82 N GLY A 13 -0.610 -0.505 0.171 1.00 87.39 N +ATOM 83 CA GLY A 13 -1.899 -0.467 0.827 1.00 86.09 C +ATOM 84 C GLY A 13 -2.712 0.761 0.468 1.00 86.13 C +ATOM 85 O GLY A 13 -2.212 1.691 -0.171 1.00 86.79 O +ATOM 86 N PRO A 14 -3.992 0.787 0.867 1.00 90.02 N +ATOM 87 CA PRO A 14 -4.859 1.914 0.550 1.00 90.77 C +ATOM 88 C PRO A 14 -4.462 3.164 1.314 1.00 91.01 C +ATOM 89 O PRO A 14 -3.788 3.097 2.336 1.00 89.96 O +ATOM 90 CB PRO A 14 -6.249 1.429 0.968 1.00 88.94 C +ATOM 91 CG PRO A 14 -5.972 0.433 2.032 1.00 88.62 C +ATOM 92 CD PRO A 14 -4.688 -0.246 1.630 1.00 89.37 C +HETATM 93 N HYP A 15 -4.890 4.323 0.834 1.00 85.99 N +HETATM 94 CA HYP A 15 -4.699 5.598 1.503 1.00 82.17 C +HETATM 95 C HYP A 15 -5.302 5.623 2.896 1.00 89.58 C +HETATM 96 O HYP A 15 -6.259 4.898 3.176 1.00 74.08 O +HETATM 97 CB HYP A 15 -5.422 6.553 0.569 1.00 82.47 C +HETATM 98 CG HYP A 15 -5.355 5.874 -0.758 1.00 78.13 C +HETATM 99 CD HYP A 15 -5.516 4.450 -0.413 1.00 83.37 C +HETATM 100 OD1 HYP A 15 -4.115 6.067 -1.379 1.00 84.68 O +ATOM 101 N GLY A 16 -4.738 6.386 3.765 1.00 90.90 N +ATOM 102 CA GLY A 16 -5.284 6.534 5.087 1.00 89.15 C +ATOM 103 C GLY A 16 -6.602 7.283 5.074 1.00 89.41 C +ATOM 104 O GLY A 16 -7.026 7.808 4.039 1.00 89.72 O +ATOM 105 N PRO A 17 -7.268 7.348 6.232 1.00 86.04 N +ATOM 106 CA PRO A 17 -8.556 8.029 6.310 1.00 86.99 C +ATOM 107 C PRO A 17 -8.402 9.539 6.193 1.00 87.03 C +ATOM 108 O PRO A 17 -7.362 10.095 6.499 1.00 87.04 O +ATOM 109 CB PRO A 17 -9.087 7.625 7.682 1.00 84.52 C +ATOM 110 CG PRO A 17 -7.853 7.374 8.482 1.00 82.34 C +ATOM 111 CD PRO A 17 -6.861 6.783 7.519 1.00 82.78 C +HETATM 112 N HYP A 18 -9.431 10.225 5.792 1.00 89.87 N +HETATM 113 CA HYP A 18 -9.494 11.663 5.731 1.00 85.38 C +HETATM 114 C HYP A 18 -9.423 12.302 7.107 1.00 88.46 C +HETATM 115 O HYP A 18 -9.792 11.690 8.134 1.00 84.28 O +HETATM 116 CB HYP A 18 -10.872 11.900 5.140 1.00 86.53 C +HETATM 117 CG HYP A 18 -11.208 10.691 4.388 1.00 83.38 C +HETATM 118 CD HYP A 18 -10.575 9.616 5.201 1.00 86.74 C +HETATM 119 OD1 HYP A 18 -10.652 10.701 3.092 1.00 86.09 O +ATOM 120 N GLY A 19 -8.924 13.496 7.175 1.00 89.72 N +ATOM 121 CA GLY A 19 -8.884 14.224 8.411 1.00 88.75 C +ATOM 122 C GLY A 19 -10.275 14.641 8.850 1.00 88.71 C +ATOM 123 O GLY A 19 -11.258 14.449 8.128 1.00 88.32 O +ATOM 124 N PRO A 20 -10.380 15.230 10.036 1.00 88.80 N +ATOM 125 CA PRO A 20 -11.686 15.645 10.541 1.00 88.46 C +ATOM 126 C PRO A 20 -12.232 16.835 9.768 1.00 88.22 C +ATOM 127 O PRO A 20 -11.486 17.589 9.154 1.00 86.50 O +ATOM 128 CB PRO A 20 -11.393 16.007 12.000 1.00 85.45 C +ATOM 129 CG PRO A 20 -9.963 16.383 12.000 1.00 83.13 C +ATOM 130 CD PRO A 20 -9.296 15.510 10.969 1.00 84.49 C +HETATM 131 N HYP A 21 -13.522 17.057 9.829 1.00 92.46 N +HETATM 132 CA HYP A 21 -14.198 18.161 9.175 1.00 88.79 C +HETATM 133 C HYP A 21 -13.829 19.531 9.756 1.00 93.27 C +HETATM 134 O HYP A 21 -13.528 19.622 10.960 1.00 90.33 O +HETATM 135 CB HYP A 21 -15.694 17.915 9.533 1.00 90.71 C +HETATM 136 CG HYP A 21 -15.797 16.450 9.762 1.00 88.06 C +HETATM 137 CD HYP A 21 -14.457 16.103 10.386 1.00 91.89 C +HETATM 138 OD1 HYP A 21 -15.894 15.772 8.527 1.00 89.00 O +ATOM 139 N GLY A 22 -13.734 20.535 8.944 1.00 86.74 N +ATOM 140 CA GLY A 22 -13.481 21.868 9.409 1.00 85.57 C +ATOM 141 C GLY A 22 -14.695 22.419 10.140 1.00 86.02 C +ATOM 142 O GLY A 22 -15.752 21.786 10.190 1.00 84.24 O +ATOM 143 N PRO A 23 -14.599 23.645 10.701 1.00 88.70 N +ATOM 144 CA PRO A 23 -15.723 24.239 11.416 1.00 88.99 C +ATOM 145 C PRO A 23 -16.836 24.630 10.460 1.00 88.22 C +ATOM 146 O PRO A 23 -16.591 24.930 9.295 1.00 84.03 O +ATOM 147 CB PRO A 23 -15.114 25.457 12.098 1.00 84.38 C +ATOM 148 CG PRO A 23 -13.959 25.813 11.235 1.00 80.58 C +ATOM 149 CD PRO A 23 -13.424 24.513 10.698 1.00 83.99 C +HETATM 150 N HYP A 24 -18.120 24.731 10.959 1.00 89.99 N +HETATM 151 CA HYP A 24 -19.219 25.099 10.037 1.00 85.72 C +HETATM 152 C HYP A 24 -19.108 26.599 9.723 1.00 90.28 C +HETATM 153 O HYP A 24 -20.035 27.312 9.475 1.00 87.69 O +HETATM 154 CB HYP A 24 -20.478 24.997 10.971 1.00 88.29 C +HETATM 155 CG HYP A 24 -20.082 24.160 12.119 1.00 85.83 C +HETATM 156 CD HYP A 24 -18.568 24.394 12.290 1.00 88.58 C +HETATM 157 OD1 HYP A 24 -20.269 22.815 11.792 1.00 81.18 O +HETATM 158 OXT HYP A 24 -18.012 27.070 9.761 1.00 82.59 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_551.txt b/protein_pdb_551.txt new file mode 100644 index 0000000000000000000000000000000000000000..a46608459f62464fc05448ff206fd7e4584177bc --- /dev/null +++ b/protein_pdb_551.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 10.742 4.402 -10.781 1.00 84.80 N +ATOM 2 CA GLY A 1 10.754 5.122 -9.525 1.00 85.63 C +ATOM 3 C GLY A 1 10.605 4.183 -8.359 1.00 85.22 C +ATOM 4 O GLY A 1 10.455 2.982 -8.531 1.00 83.25 O +ATOM 5 N PRO A 2 10.588 4.670 -7.077 1.00 89.22 N +ATOM 6 CA PRO A 2 10.454 3.845 -5.885 1.00 89.78 C +ATOM 7 C PRO A 2 9.047 3.294 -5.738 1.00 89.24 C +ATOM 8 O PRO A 2 8.113 3.771 -6.372 1.00 88.10 O +ATOM 9 CB PRO A 2 10.805 4.814 -4.761 1.00 86.65 C +ATOM 10 CG PRO A 2 10.380 6.130 -5.302 1.00 81.53 C +ATOM 11 CD PRO A 2 10.750 6.079 -6.756 1.00 83.48 C +HETATM 12 N HYP A 3 8.927 2.293 -4.911 1.00 89.16 N +HETATM 13 CA HYP A 3 7.583 1.762 -4.609 1.00 89.75 C +HETATM 14 C HYP A 3 6.694 2.824 -4.015 1.00 88.78 C +HETATM 15 O HYP A 3 7.212 3.753 -3.325 1.00 91.84 O +HETATM 16 CB HYP A 3 7.901 0.656 -3.548 1.00 87.94 C +HETATM 17 CG HYP A 3 9.302 0.173 -3.908 1.00 85.07 C +HETATM 18 CD HYP A 3 9.999 1.517 -4.305 1.00 89.85 C +HETATM 19 OD1 HYP A 3 9.185 -0.643 -5.022 1.00 87.26 O +ATOM 20 N GLY A 4 5.437 2.731 -4.348 1.00 91.72 N +ATOM 21 CA GLY A 4 4.490 3.674 -3.829 1.00 91.19 C +ATOM 22 C GLY A 4 4.312 3.494 -2.334 1.00 92.01 C +ATOM 23 O GLY A 4 4.795 2.527 -1.753 1.00 92.72 O +ATOM 24 N PRO A 5 3.611 4.431 -1.699 1.00 91.02 N +ATOM 25 CA PRO A 5 3.387 4.334 -0.266 1.00 90.78 C +ATOM 26 C PRO A 5 2.398 3.228 0.063 1.00 90.93 C +ATOM 27 O PRO A 5 1.660 2.762 -0.793 1.00 90.46 O +ATOM 28 CB PRO A 5 2.844 5.708 0.090 1.00 89.22 C +ATOM 29 CG PRO A 5 2.127 6.125 -1.153 1.00 87.61 C +ATOM 30 CD PRO A 5 3.000 5.627 -2.268 1.00 90.22 C +HETATM 31 N HYP A 6 2.416 2.825 1.308 1.00 92.38 N +HETATM 32 CA HYP A 6 1.434 1.849 1.758 1.00 94.45 C +HETATM 33 C HYP A 6 0.039 2.354 1.611 1.00 93.68 C +HETATM 34 O HYP A 6 -0.217 3.589 1.724 1.00 91.91 O +HETATM 35 CB HYP A 6 1.782 1.736 3.281 1.00 89.23 C +HETATM 36 CG HYP A 6 3.245 2.080 3.347 1.00 87.06 C +HETATM 37 CD HYP A 6 3.355 3.200 2.325 1.00 90.20 C +HETATM 38 OD1 HYP A 6 3.997 0.966 2.935 1.00 89.74 O +ATOM 39 N GLY A 7 -0.851 1.457 1.298 1.00 92.71 N +ATOM 40 CA GLY A 7 -2.231 1.815 1.153 1.00 91.86 C +ATOM 41 C GLY A 7 -2.819 2.218 2.491 1.00 92.43 C +ATOM 42 O GLY A 7 -2.211 2.017 3.538 1.00 92.56 O +ATOM 43 N PRO A 8 -4.007 2.793 2.460 1.00 93.01 N +ATOM 44 CA PRO A 8 -4.651 3.192 3.704 1.00 92.75 C +ATOM 45 C PRO A 8 -5.172 1.981 4.456 1.00 92.81 C +ATOM 46 O PRO A 8 -5.336 0.903 3.899 1.00 91.93 O +ATOM 47 CB PRO A 8 -5.788 4.086 3.231 1.00 90.82 C +ATOM 48 CG PRO A 8 -6.137 3.510 1.904 1.00 89.65 C +ATOM 49 CD PRO A 8 -4.809 3.129 1.298 1.00 91.19 C +HETATM 50 N HYP A 9 -5.429 2.174 5.770 1.00 92.15 N +HETATM 51 CA HYP A 9 -6.016 1.135 6.527 1.00 91.27 C +HETATM 52 C HYP A 9 -7.401 0.790 6.061 1.00 92.37 C +HETATM 53 O HYP A 9 -8.148 1.691 5.611 1.00 90.02 O +HETATM 54 CB HYP A 9 -6.151 1.753 7.954 1.00 86.44 C +HETATM 55 CG HYP A 9 -5.073 2.754 8.017 1.00 87.11 C +HETATM 56 CD HYP A 9 -5.036 3.308 6.635 1.00 90.20 C +HETATM 57 OD1 HYP A 9 -3.868 2.079 8.293 1.00 86.26 O +ATOM 58 N GLY A 10 -7.781 -0.436 6.063 1.00 93.17 N +ATOM 59 CA GLY A 10 -9.125 -0.826 5.733 1.00 91.47 C +ATOM 60 C GLY A 10 -10.041 -0.473 6.889 1.00 92.17 C +ATOM 61 O GLY A 10 -9.623 0.132 7.875 1.00 91.34 O +ATOM 62 N MET A 11 -11.289 -0.887 6.786 1.00 94.55 N +ATOM 63 CA MET A 11 -12.244 -0.642 7.858 1.00 95.19 C +ATOM 64 C MET A 11 -11.730 -1.192 9.187 1.00 94.83 C +ATOM 65 O MET A 11 -11.965 -0.620 10.247 1.00 93.08 O +ATOM 66 CB MET A 11 -13.576 -1.293 7.502 1.00 93.55 C +ATOM 67 CG MET A 11 -14.674 -1.040 8.500 1.00 89.65 C +ATOM 68 SD MET A 11 -16.213 -1.823 8.010 1.00 85.19 S +ATOM 69 CE MET A 11 -16.596 -0.894 6.535 1.00 77.57 C +ATOM 70 N PHE A 12 -10.996 -2.319 9.107 1.00 93.06 N +ATOM 71 CA PHE A 12 -10.426 -2.952 10.279 1.00 94.13 C +ATOM 72 C PHE A 12 -8.968 -3.356 10.066 1.00 94.34 C +ATOM 73 O PHE A 12 -8.171 -3.303 11.005 1.00 92.42 O +ATOM 74 CB PHE A 12 -11.254 -4.202 10.615 1.00 93.09 C +ATOM 75 CG PHE A 12 -10.686 -5.006 11.753 1.00 89.06 C +ATOM 76 CD1 PHE A 12 -10.778 -4.533 13.046 1.00 86.89 C +ATOM 77 CD2 PHE A 12 -10.035 -6.208 11.527 1.00 86.17 C +ATOM 78 CE1 PHE A 12 -10.233 -5.244 14.103 1.00 84.52 C +ATOM 79 CE2 PHE A 12 -9.485 -6.927 12.580 1.00 86.70 C +ATOM 80 CZ PHE A 12 -9.586 -6.447 13.869 1.00 85.65 C +ATOM 81 N GLY A 13 -8.637 -3.774 8.863 1.00 93.78 N +ATOM 82 CA GLY A 13 -7.319 -4.297 8.559 1.00 92.72 C +ATOM 83 C GLY A 13 -6.175 -3.298 8.579 1.00 93.03 C +ATOM 84 O GLY A 13 -6.371 -2.094 8.736 1.00 93.78 O +ATOM 85 N PRO A 14 -4.952 -3.820 8.421 1.00 91.34 N +ATOM 86 CA PRO A 14 -3.750 -3.010 8.411 1.00 91.28 C +ATOM 87 C PRO A 14 -3.617 -2.238 7.113 1.00 91.00 C +ATOM 88 O PRO A 14 -4.397 -2.421 6.180 1.00 89.80 O +ATOM 89 CB PRO A 14 -2.637 -4.039 8.556 1.00 89.28 C +ATOM 90 CG PRO A 14 -3.184 -5.225 7.834 1.00 87.62 C +ATOM 91 CD PRO A 14 -4.643 -5.238 8.203 1.00 88.95 C +HETATM 92 N HYP A 15 -2.600 -1.400 7.092 1.00 93.68 N +HETATM 93 CA HYP A 15 -2.324 -0.694 5.850 1.00 93.57 C +HETATM 94 C HYP A 15 -2.088 -1.619 4.713 1.00 94.98 C +HETATM 95 O HYP A 15 -1.571 -2.751 4.914 1.00 92.96 O +HETATM 96 CB HYP A 15 -1.002 0.035 6.240 1.00 91.53 C +HETATM 97 CG HYP A 15 -1.074 0.197 7.745 1.00 88.37 C +HETATM 98 CD HYP A 15 -1.721 -1.093 8.201 1.00 90.94 C +HETATM 99 OD1 HYP A 15 -1.908 1.289 8.056 1.00 90.90 O +ATOM 100 N GLY A 16 -2.450 -1.200 3.533 1.00 94.61 N +ATOM 101 CA GLY A 16 -2.234 -1.997 2.359 1.00 94.17 C +ATOM 102 C GLY A 16 -0.756 -2.098 2.032 1.00 94.80 C +ATOM 103 O GLY A 16 0.071 -1.420 2.639 1.00 94.81 O +ATOM 104 N PRO A 17 -0.415 -2.962 1.068 1.00 93.01 N +ATOM 105 CA PRO A 17 0.977 -3.126 0.683 1.00 92.78 C +ATOM 106 C PRO A 17 1.494 -1.913 -0.068 1.00 93.21 C +ATOM 107 O PRO A 17 0.720 -1.099 -0.564 1.00 92.35 O +ATOM 108 CB PRO A 17 0.949 -4.374 -0.199 1.00 91.37 C +ATOM 109 CG PRO A 17 -0.408 -4.328 -0.808 1.00 90.32 C +ATOM 110 CD PRO A 17 -1.301 -3.825 0.293 1.00 91.80 C +HETATM 111 N HYP A 18 2.805 -1.803 -0.143 1.00 91.97 N +HETATM 112 CA HYP A 18 3.396 -0.768 -0.932 1.00 93.85 C +HETATM 113 C HYP A 18 2.975 -0.844 -2.376 1.00 92.78 C +HETATM 114 O HYP A 18 2.750 -1.955 -2.918 1.00 92.23 O +HETATM 115 CB HYP A 18 4.903 -1.099 -0.816 1.00 88.72 C +HETATM 116 CG HYP A 18 5.027 -1.809 0.518 1.00 88.85 C +HETATM 117 CD HYP A 18 3.752 -2.637 0.553 1.00 92.84 C +HETATM 118 OD1 HYP A 18 4.978 -0.840 1.575 1.00 89.54 O +ATOM 119 N GLY A 19 2.840 0.294 -3.018 1.00 91.32 N +ATOM 120 CA GLY A 19 2.484 0.343 -4.406 1.00 91.25 C +ATOM 121 C GLY A 19 3.634 -0.123 -5.279 1.00 91.62 C +ATOM 122 O GLY A 19 4.753 -0.317 -4.802 1.00 92.53 O +ATOM 123 N PRO A 20 3.373 -0.308 -6.560 1.00 88.00 N +ATOM 124 CA PRO A 20 4.411 -0.760 -7.468 1.00 87.59 C +ATOM 125 C PRO A 20 5.407 0.356 -7.758 1.00 87.42 C +ATOM 126 O PRO A 20 5.139 1.524 -7.501 1.00 88.66 O +ATOM 127 CB PRO A 20 3.628 -1.144 -8.719 1.00 85.43 C +ATOM 128 CG PRO A 20 2.461 -0.218 -8.689 1.00 82.16 C +ATOM 129 CD PRO A 20 2.096 -0.120 -7.233 1.00 84.43 C +HETATM 130 N HYP A 21 6.587 -0.031 -8.258 1.00 88.45 N +HETATM 131 CA HYP A 21 7.526 0.955 -8.693 1.00 88.58 C +HETATM 132 C HYP A 21 6.981 1.938 -9.709 1.00 88.39 C +HETATM 133 O HYP A 21 6.130 1.555 -10.515 1.00 91.92 O +HETATM 134 CB HYP A 21 8.666 0.131 -9.303 1.00 86.16 C +HETATM 135 CG HYP A 21 8.610 -1.183 -8.540 1.00 80.80 C +HETATM 136 CD HYP A 21 7.121 -1.403 -8.358 1.00 86.35 C +HETATM 137 OD1 HYP A 21 9.199 -1.001 -7.258 1.00 87.78 O +ATOM 138 N GLY A 22 7.386 3.173 -9.625 1.00 88.32 N +ATOM 139 CA GLY A 22 6.940 4.175 -10.543 1.00 85.75 C +ATOM 140 C GLY A 22 7.547 3.946 -11.918 1.00 85.30 C +ATOM 141 O GLY A 22 8.312 3.009 -12.118 1.00 85.61 O +ATOM 142 N PRO A 23 7.230 4.812 -12.886 1.00 90.44 N +ATOM 143 CA PRO A 23 7.774 4.656 -14.225 1.00 89.45 C +ATOM 144 C PRO A 23 9.281 4.848 -14.220 1.00 88.34 C +ATOM 145 O PRO A 23 9.837 5.485 -13.337 1.00 84.65 O +ATOM 146 CB PRO A 23 7.062 5.725 -15.033 1.00 85.13 C +ATOM 147 CG PRO A 23 6.722 6.761 -14.015 1.00 82.71 C +ATOM 148 CD PRO A 23 6.383 5.978 -12.780 1.00 86.26 C +HETATM 149 N HYP A 24 9.953 4.336 -15.132 1.00 92.45 N +HETATM 150 CA HYP A 24 11.413 4.373 -15.148 1.00 87.14 C +HETATM 151 C HYP A 24 11.992 5.373 -14.248 1.00 89.88 C +HETATM 152 O HYP A 24 12.238 6.526 -14.652 1.00 86.94 O +HETATM 153 CB HYP A 24 11.818 4.411 -16.560 1.00 86.41 C +HETATM 154 CG HYP A 24 10.578 4.116 -17.363 1.00 85.53 C +HETATM 155 CD HYP A 24 9.408 4.297 -16.421 1.00 90.28 C +HETATM 156 OD1 HYP A 24 10.562 2.748 -17.741 1.00 85.26 O +HETATM 157 OXT HYP A 24 12.387 4.978 -13.131 1.00 83.89 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_552.txt b/protein_pdb_552.txt new file mode 100644 index 0000000000000000000000000000000000000000..67476d393bcf029e27881ff699b8e0bcfd5ec7ed --- /dev/null +++ b/protein_pdb_552.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -6.489 14.904 0.793 1.00 82.64 N +ATOM 2 CA GLY A 1 -7.229 13.706 0.560 1.00 83.20 C +ATOM 3 C GLY A 1 -6.990 12.629 1.595 1.00 84.30 C +ATOM 4 O GLY A 1 -6.082 12.736 2.418 1.00 81.30 O +ATOM 5 N PRO A 2 -7.772 11.614 1.561 1.00 82.91 N +ATOM 6 CA PRO A 2 -7.667 10.525 2.513 1.00 83.87 C +ATOM 7 C PRO A 2 -6.506 9.598 2.194 1.00 83.21 C +ATOM 8 O PRO A 2 -5.935 9.641 1.107 1.00 80.65 O +ATOM 9 CB PRO A 2 -9.004 9.808 2.348 1.00 79.93 C +ATOM 10 CG PRO A 2 -9.345 10.039 0.919 1.00 76.86 C +ATOM 11 CD PRO A 2 -8.858 11.429 0.617 1.00 78.19 C +HETATM 12 N HYP A 3 -6.208 8.758 3.169 1.00 81.17 N +HETATM 13 CA HYP A 3 -5.163 7.766 2.945 1.00 85.65 C +HETATM 14 C HYP A 3 -5.546 6.818 1.840 1.00 86.07 C +HETATM 15 O HYP A 3 -6.752 6.552 1.631 1.00 86.88 O +HETATM 16 CB HYP A 3 -5.120 7.053 4.328 1.00 84.23 C +HETATM 17 CG HYP A 3 -5.588 8.114 5.293 1.00 78.26 C +HETATM 18 CD HYP A 3 -6.679 8.840 4.491 1.00 81.84 C +HETATM 19 OD1 HYP A 3 -4.543 9.001 5.570 1.00 83.59 O +ATOM 20 N GLY A 4 -4.583 6.359 1.111 1.00 85.94 N +ATOM 21 CA GLY A 4 -4.824 5.400 0.067 1.00 84.75 C +ATOM 22 C GLY A 4 -5.236 4.057 0.634 1.00 85.92 C +ATOM 23 O GLY A 4 -5.178 3.826 1.838 1.00 85.15 O +ATOM 24 N PRO A 5 -5.654 3.152 -0.246 1.00 86.11 N +ATOM 25 CA PRO A 5 -6.066 1.826 0.193 1.00 86.17 C +ATOM 26 C PRO A 5 -4.876 0.991 0.626 1.00 85.10 C +ATOM 27 O PRO A 5 -3.726 1.314 0.318 1.00 81.91 O +ATOM 28 CB PRO A 5 -6.738 1.242 -1.047 1.00 83.52 C +ATOM 29 CG PRO A 5 -6.045 1.915 -2.168 1.00 81.33 C +ATOM 30 CD PRO A 5 -5.746 3.304 -1.695 1.00 83.94 C +HETATM 31 N HYP A 6 -5.190 -0.069 1.357 1.00 87.27 N +HETATM 32 CA HYP A 6 -4.137 -1.027 1.700 1.00 90.65 C +HETATM 33 C HYP A 6 -3.408 -1.517 0.505 1.00 89.59 C +HETATM 34 O HYP A 6 -4.007 -1.665 -0.588 1.00 87.67 O +HETATM 35 CB HYP A 6 -4.921 -2.119 2.391 1.00 85.87 C +HETATM 36 CG HYP A 6 -6.108 -1.442 2.950 1.00 83.83 C +HETATM 37 CD HYP A 6 -6.443 -0.448 1.898 1.00 86.17 C +HETATM 38 OD1 HYP A 6 -5.785 -0.789 4.141 1.00 83.41 O +ATOM 39 N GLY A 7 -2.121 -1.696 0.642 1.00 88.81 N +ATOM 40 CA GLY A 7 -1.312 -2.188 -0.443 1.00 86.66 C +ATOM 41 C GLY A 7 -1.660 -3.619 -0.798 1.00 86.80 C +ATOM 42 O GLY A 7 -2.391 -4.302 -0.084 1.00 86.02 O +ATOM 43 N PRO A 8 -1.138 -4.089 -1.912 1.00 87.00 N +ATOM 44 CA PRO A 8 -1.413 -5.452 -2.333 1.00 86.16 C +ATOM 45 C PRO A 8 -0.733 -6.468 -1.429 1.00 85.21 C +ATOM 46 O PRO A 8 0.267 -6.175 -0.781 1.00 82.18 O +ATOM 47 CB PRO A 8 -0.865 -5.514 -3.755 1.00 83.71 C +ATOM 48 CG PRO A 8 0.203 -4.480 -3.769 1.00 83.83 C +ATOM 49 CD PRO A 8 -0.265 -3.393 -2.843 1.00 85.36 C +HETATM 50 N HYP A 9 -1.273 -7.679 -1.454 1.00 84.98 N +HETATM 51 CA HYP A 9 -0.726 -8.717 -0.682 1.00 84.89 C +HETATM 52 C HYP A 9 0.673 -9.061 -1.179 1.00 84.59 C +HETATM 53 O HYP A 9 0.922 -9.050 -2.370 1.00 84.83 O +HETATM 54 CB HYP A 9 -1.615 -9.909 -1.077 1.00 80.35 C +HETATM 55 CG HYP A 9 -2.872 -9.328 -1.520 1.00 81.08 C +HETATM 56 CD HYP A 9 -2.466 -8.076 -2.173 1.00 83.85 C +HETATM 57 OD1 HYP A 9 -3.702 -9.022 -0.419 1.00 79.89 O +ATOM 58 N GLY A 10 1.580 -9.316 -0.321 1.00 86.58 N +ATOM 59 CA GLY A 10 2.914 -9.719 -0.697 1.00 83.65 C +ATOM 60 C GLY A 10 3.037 -11.203 -0.967 1.00 84.26 C +ATOM 61 O GLY A 10 4.146 -11.697 -1.146 1.00 81.22 O +ATOM 62 N GLY A 11 1.931 -11.912 -0.980 1.00 83.06 N +ATOM 63 CA GLY A 11 1.922 -13.359 -1.041 1.00 82.18 C +ATOM 64 C GLY A 11 1.572 -13.870 0.330 1.00 83.67 C +ATOM 65 O GLY A 11 0.403 -13.958 0.692 1.00 79.82 O +ATOM 66 N PHE A 12 2.594 -14.160 1.101 1.00 82.34 N +ATOM 67 CA PHE A 12 2.381 -14.448 2.508 1.00 85.30 C +ATOM 68 C PHE A 12 2.335 -13.119 3.260 1.00 86.54 C +ATOM 69 O PHE A 12 3.249 -12.299 3.108 1.00 83.11 O +ATOM 70 CB PHE A 12 3.506 -15.330 3.048 1.00 82.24 C +ATOM 71 CG PHE A 12 3.320 -15.710 4.489 1.00 78.33 C +ATOM 72 CD1 PHE A 12 2.514 -16.771 4.820 1.00 75.04 C +ATOM 73 CD2 PHE A 12 3.932 -14.994 5.501 1.00 74.14 C +ATOM 74 CE1 PHE A 12 2.317 -17.132 6.145 1.00 73.33 C +ATOM 75 CE2 PHE A 12 3.737 -15.342 6.835 1.00 75.04 C +ATOM 76 CZ PHE A 12 2.936 -16.418 7.150 1.00 72.45 C +ATOM 77 N GLY A 13 1.296 -12.924 4.046 1.00 86.36 N +ATOM 78 CA GLY A 13 1.192 -11.711 4.825 1.00 84.40 C +ATOM 79 C GLY A 13 0.003 -10.866 4.431 1.00 84.81 C +ATOM 80 O GLY A 13 -0.593 -11.061 3.365 1.00 83.51 O +ATOM 81 N PRO A 14 -0.366 -9.943 5.290 1.00 86.43 N +ATOM 82 CA PRO A 14 -1.530 -9.103 5.053 1.00 86.27 C +ATOM 83 C PRO A 14 -1.258 -8.037 4.002 1.00 86.02 C +ATOM 84 O PRO A 14 -0.121 -7.823 3.584 1.00 83.79 O +ATOM 85 CB PRO A 14 -1.795 -8.471 6.417 1.00 83.51 C +ATOM 86 CG PRO A 14 -0.439 -8.375 7.020 1.00 83.23 C +ATOM 87 CD PRO A 14 0.292 -9.611 6.553 1.00 82.98 C +HETATM 88 N HYP A 15 -2.325 -7.398 3.597 1.00 84.98 N +HETATM 89 CA HYP A 15 -2.191 -6.259 2.724 1.00 88.75 C +HETATM 90 C HYP A 15 -1.290 -5.239 3.287 1.00 89.55 C +HETATM 91 O HYP A 15 -1.156 -5.158 4.535 1.00 88.46 O +HETATM 92 CB HYP A 15 -3.660 -5.824 2.581 1.00 83.98 C +HETATM 93 CG HYP A 15 -4.420 -7.101 2.797 1.00 78.15 C +HETATM 94 CD HYP A 15 -3.653 -7.789 3.883 1.00 84.55 C +HETATM 95 OD1 HYP A 15 -4.438 -7.864 1.649 1.00 82.64 O +ATOM 96 N GLY A 16 -0.659 -4.479 2.478 1.00 89.54 N +ATOM 97 CA GLY A 16 0.201 -3.428 2.949 1.00 88.89 C +ATOM 98 C GLY A 16 -0.574 -2.339 3.654 1.00 89.53 C +ATOM 99 O GLY A 16 -1.807 -2.346 3.677 1.00 88.44 O +ATOM 100 N PRO A 17 0.142 -1.400 4.241 1.00 89.02 N +ATOM 101 CA PRO A 17 -0.514 -0.303 4.944 1.00 88.76 C +ATOM 102 C PRO A 17 -1.205 0.643 3.982 1.00 89.42 C +ATOM 103 O PRO A 17 -0.947 0.631 2.778 1.00 87.67 O +ATOM 104 CB PRO A 17 0.637 0.383 5.678 1.00 86.44 C +ATOM 105 CG PRO A 17 1.824 0.076 4.845 1.00 85.33 C +ATOM 106 CD PRO A 17 1.597 -1.296 4.279 1.00 86.27 C +HETATM 107 N HYP A 18 -2.116 1.420 4.514 1.00 87.05 N +HETATM 108 CA HYP A 18 -2.735 2.444 3.735 1.00 90.77 C +HETATM 109 C HYP A 18 -1.771 3.330 3.070 1.00 88.15 C +HETATM 110 O HYP A 18 -0.683 3.598 3.606 1.00 87.61 O +HETATM 111 CB HYP A 18 -3.583 3.156 4.758 1.00 83.07 C +HETATM 112 CG HYP A 18 -3.890 2.104 5.782 1.00 81.76 C +HETATM 113 CD HYP A 18 -2.606 1.349 5.860 1.00 85.41 C +HETATM 114 OD1 HYP A 18 -4.931 1.279 5.352 1.00 84.42 O +ATOM 115 N GLY A 19 -2.098 3.762 1.897 1.00 86.12 N +ATOM 116 CA GLY A 19 -1.257 4.673 1.174 1.00 85.36 C +ATOM 117 C GLY A 19 -1.162 6.021 1.858 1.00 86.82 C +ATOM 118 O GLY A 19 -1.850 6.284 2.846 1.00 86.64 O +ATOM 119 N PRO A 20 -0.307 6.875 1.342 1.00 82.31 N +ATOM 120 CA PRO A 20 -0.128 8.185 1.949 1.00 82.58 C +ATOM 121 C PRO A 20 -1.337 9.072 1.747 1.00 81.61 C +ATOM 122 O PRO A 20 -2.141 8.857 0.844 1.00 80.32 O +ATOM 123 CB PRO A 20 1.099 8.741 1.223 1.00 79.79 C +ATOM 124 CG PRO A 20 1.058 8.068 -0.102 1.00 77.58 C +ATOM 125 CD PRO A 20 0.521 6.686 0.168 1.00 78.85 C +HETATM 126 N HYP A 21 -1.466 10.056 2.583 1.00 85.56 N +HETATM 127 CA HYP A 21 -2.496 11.018 2.458 1.00 88.19 C +HETATM 128 C HYP A 21 -2.438 11.777 1.176 1.00 85.69 C +HETATM 129 O HYP A 21 -1.333 12.101 0.706 1.00 88.09 O +HETATM 130 CB HYP A 21 -2.174 11.985 3.610 1.00 82.60 C +HETATM 131 CG HYP A 21 -1.423 11.157 4.604 1.00 80.08 C +HETATM 132 CD HYP A 21 -0.628 10.270 3.745 1.00 85.63 C +HETATM 133 OD1 HYP A 21 -2.319 10.383 5.394 1.00 83.14 O +ATOM 134 N GLY A 22 -3.529 11.954 0.545 1.00 85.44 N +ATOM 135 CA GLY A 22 -3.576 12.756 -0.646 1.00 83.58 C +ATOM 136 C GLY A 22 -3.391 14.226 -0.311 1.00 83.20 C +ATOM 137 O GLY A 22 -3.389 14.612 0.856 1.00 81.75 O +ATOM 138 N PRO A 23 -3.247 15.063 -1.320 1.00 85.63 N +ATOM 139 CA PRO A 23 -3.127 16.494 -1.079 1.00 85.98 C +ATOM 140 C PRO A 23 -4.485 17.067 -0.694 1.00 84.84 C +ATOM 141 O PRO A 23 -5.412 17.047 -1.503 1.00 80.47 O +ATOM 142 CB PRO A 23 -2.630 17.040 -2.413 1.00 81.14 C +ATOM 143 CG PRO A 23 -3.127 16.059 -3.412 1.00 77.95 C +ATOM 144 CD PRO A 23 -3.153 14.723 -2.727 1.00 80.63 C +HETATM 145 N HYP A 24 -4.677 17.430 0.519 1.00 82.29 N +HETATM 146 CA HYP A 24 -6.042 17.522 1.066 1.00 75.01 C +HETATM 147 C HYP A 24 -6.924 16.530 0.838 1.00 82.76 C +HETATM 148 O HYP A 24 -8.069 16.404 1.475 1.00 79.79 O +HETATM 149 CB HYP A 24 -6.069 18.430 2.176 1.00 75.91 C +HETATM 150 CG HYP A 24 -4.791 19.232 2.020 1.00 77.15 C +HETATM 151 CD HYP A 24 -3.894 18.422 1.075 1.00 80.41 C +HETATM 152 OD1 HYP A 24 -4.129 19.420 3.261 1.00 80.91 O +HETATM 153 OXT HYP A 24 -7.327 16.507 -0.401 1.00 77.06 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_553.txt b/protein_pdb_553.txt new file mode 100644 index 0000000000000000000000000000000000000000..6e490eba54c43cd317e9c25ea229a2680335c639 --- /dev/null +++ b/protein_pdb_553.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 6.482 -15.263 1.640 1.00 92.60 N +ATOM 2 CA GLY A 1 6.436 -14.648 0.357 1.00 92.92 C +ATOM 3 C GLY A 1 6.887 -13.204 0.334 1.00 93.51 C +ATOM 4 O GLY A 1 7.110 -12.589 1.371 1.00 92.18 O +ATOM 5 N PRO A 2 6.997 -12.671 -0.825 1.00 92.90 N +ATOM 6 CA PRO A 2 7.429 -11.297 -0.997 1.00 93.19 C +ATOM 7 C PRO A 2 6.315 -10.309 -0.721 1.00 93.14 C +ATOM 8 O PRO A 2 5.153 -10.684 -0.573 1.00 91.42 O +ATOM 9 CB PRO A 2 7.845 -11.261 -2.469 1.00 90.92 C +ATOM 10 CG PRO A 2 6.939 -12.251 -3.109 1.00 88.43 C +ATOM 11 CD PRO A 2 6.748 -13.342 -2.095 1.00 90.96 C +HETATM 12 N HYP A 3 6.695 -9.055 -0.646 1.00 93.19 N +HETATM 13 CA HYP A 3 5.701 -8.006 -0.461 1.00 90.37 C +HETATM 14 C HYP A 3 4.714 -7.952 -1.611 1.00 94.89 C +HETATM 15 O HYP A 3 5.070 -8.290 -2.749 1.00 94.84 O +HETATM 16 CB HYP A 3 6.561 -6.720 -0.430 1.00 90.80 C +HETATM 17 CG HYP A 3 7.906 -7.203 0.080 1.00 87.90 C +HETATM 18 CD HYP A 3 8.044 -8.585 -0.592 1.00 91.39 C +HETATM 19 OD1 HYP A 3 7.821 -7.350 1.462 1.00 89.21 O +ATOM 20 N GLY A 4 3.506 -7.605 -1.300 1.00 94.12 N +ATOM 21 CA GLY A 4 2.507 -7.437 -2.316 1.00 93.45 C +ATOM 22 C GLY A 4 2.781 -6.214 -3.169 1.00 93.60 C +ATOM 23 O GLY A 4 3.654 -5.404 -2.868 1.00 93.49 O +ATOM 24 N PRO A 5 2.031 -6.073 -4.254 1.00 94.21 N +ATOM 25 CA PRO A 5 2.226 -4.932 -5.141 1.00 93.98 C +ATOM 26 C PRO A 5 1.736 -3.637 -4.513 1.00 93.73 C +ATOM 27 O PRO A 5 0.976 -3.643 -3.547 1.00 92.76 O +ATOM 28 CB PRO A 5 1.393 -5.300 -6.370 1.00 92.73 C +ATOM 29 CG PRO A 5 0.333 -6.182 -5.833 1.00 91.11 C +ATOM 30 CD PRO A 5 0.962 -6.953 -4.708 1.00 92.91 C +HETATM 31 N HYP A 6 2.225 -2.510 -5.087 1.00 94.05 N +HETATM 32 CA HYP A 6 1.715 -1.236 -4.660 1.00 94.45 C +HETATM 33 C HYP A 6 0.242 -1.101 -4.847 1.00 95.17 C +HETATM 34 O HYP A 6 -0.336 -1.708 -5.784 1.00 94.83 O +HETATM 35 CB HYP A 6 2.485 -0.235 -5.545 1.00 91.40 C +HETATM 36 CG HYP A 6 3.767 -0.945 -5.855 1.00 91.02 C +HETATM 37 CD HYP A 6 3.304 -2.371 -6.037 1.00 92.96 C +HETATM 38 OD1 HYP A 6 4.625 -0.847 -4.751 1.00 89.53 O +ATOM 39 N GLY A 7 -0.402 -0.406 -3.976 1.00 93.31 N +ATOM 40 CA GLY A 7 -1.798 -0.118 -4.126 1.00 93.27 C +ATOM 41 C GLY A 7 -2.048 0.747 -5.339 1.00 93.62 C +ATOM 42 O GLY A 7 -1.128 1.302 -5.931 1.00 93.29 O +ATOM 43 N PRO A 8 -3.298 0.853 -5.727 1.00 93.82 N +ATOM 44 CA PRO A 8 -3.633 1.658 -6.894 1.00 93.99 C +ATOM 45 C PRO A 8 -3.463 3.140 -6.612 1.00 94.14 C +ATOM 46 O PRO A 8 -3.447 3.584 -5.469 1.00 92.67 O +ATOM 47 CB PRO A 8 -5.089 1.301 -7.167 1.00 92.44 C +ATOM 48 CG PRO A 8 -5.609 0.884 -5.849 1.00 91.53 C +ATOM 49 CD PRO A 8 -4.470 0.240 -5.118 1.00 93.27 C +HETATM 50 N HYP A 9 -3.338 3.924 -7.700 1.00 93.89 N +HETATM 51 CA HYP A 9 -3.255 5.340 -7.570 1.00 92.66 C +HETATM 52 C HYP A 9 -4.495 5.908 -6.978 1.00 94.27 C +HETATM 53 O HYP A 9 -5.617 5.455 -7.237 1.00 93.56 O +HETATM 54 CB HYP A 9 -3.095 5.835 -9.030 1.00 90.69 C +HETATM 55 CG HYP A 9 -2.505 4.696 -9.740 1.00 90.19 C +HETATM 56 CD HYP A 9 -3.089 3.492 -9.080 1.00 92.41 C +HETATM 57 OD1 HYP A 9 -1.113 4.712 -9.526 1.00 89.19 O +ATOM 58 N GLY A 10 -4.409 6.888 -6.141 1.00 91.66 N +ATOM 59 CA GLY A 10 -5.539 7.681 -5.736 1.00 90.75 C +ATOM 60 C GLY A 10 -5.999 8.550 -6.883 1.00 90.71 C +ATOM 61 O GLY A 10 -5.313 8.704 -7.890 1.00 89.29 O +ATOM 62 N TRP A 11 -7.173 9.150 -6.711 1.00 89.81 N +ATOM 63 CA TRP A 11 -7.717 9.976 -7.784 1.00 89.89 C +ATOM 64 C TRP A 11 -6.794 11.126 -8.174 1.00 89.44 C +ATOM 65 O TRP A 11 -6.868 11.614 -9.299 1.00 88.39 O +ATOM 66 CB TRP A 11 -9.098 10.505 -7.390 1.00 89.13 C +ATOM 67 CG TRP A 11 -9.115 11.435 -6.216 1.00 83.69 C +ATOM 68 CD1 TRP A 11 -8.748 11.153 -4.945 1.00 82.12 C +ATOM 69 CD2 TRP A 11 -9.552 12.813 -6.206 1.00 83.48 C +ATOM 70 NE1 TRP A 11 -8.908 12.251 -4.137 1.00 76.50 N +ATOM 71 CE2 TRP A 11 -9.405 13.282 -4.887 1.00 80.70 C +ATOM 72 CE3 TRP A 11 -10.049 13.660 -7.187 1.00 77.68 C +ATOM 73 CZ2 TRP A 11 -9.740 14.591 -4.520 1.00 85.07 C +ATOM 74 CZ3 TRP A 11 -10.385 14.955 -6.826 1.00 75.84 C +ATOM 75 CH2 TRP A 11 -10.230 15.409 -5.515 1.00 75.17 C +ATOM 76 N SER A 12 -5.918 11.534 -7.260 1.00 91.65 N +ATOM 77 CA SER A 12 -4.911 12.545 -7.552 1.00 91.96 C +ATOM 78 C SER A 12 -3.617 12.247 -6.809 1.00 92.72 C +ATOM 79 O SER A 12 -2.814 13.149 -6.567 1.00 89.12 O +ATOM 80 CB SER A 12 -5.430 13.940 -7.174 1.00 88.35 C +ATOM 81 OG SER A 12 -5.704 14.000 -5.796 1.00 82.10 O +ATOM 82 N GLY A 13 -3.405 11.008 -6.434 1.00 94.82 N +ATOM 83 CA GLY A 13 -2.305 10.645 -5.570 1.00 94.34 C +ATOM 84 C GLY A 13 -1.505 9.461 -6.054 1.00 94.98 C +ATOM 85 O GLY A 13 -1.839 8.826 -7.057 1.00 94.61 O +ATOM 86 N PRO A 14 -0.432 9.164 -5.345 1.00 95.32 N +ATOM 87 CA PRO A 14 0.471 8.094 -5.728 1.00 95.28 C +ATOM 88 C PRO A 14 -0.088 6.724 -5.383 1.00 95.41 C +ATOM 89 O PRO A 14 -1.081 6.594 -4.674 1.00 94.47 O +ATOM 90 CB PRO A 14 1.730 8.386 -4.909 1.00 94.22 C +ATOM 91 CG PRO A 14 1.196 9.011 -3.670 1.00 92.61 C +ATOM 92 CD PRO A 14 0.011 9.833 -4.112 1.00 93.98 C +HETATM 93 N HYP A 15 0.594 5.722 -5.898 1.00 94.96 N +HETATM 94 CA HYP A 15 0.270 4.362 -5.534 1.00 94.95 C +HETATM 95 C HYP A 15 0.412 4.127 -4.058 1.00 96.39 C +HETATM 96 O HYP A 15 1.244 4.777 -3.386 1.00 94.73 O +HETATM 97 CB HYP A 15 1.339 3.556 -6.323 1.00 92.74 C +HETATM 98 CG HYP A 15 1.668 4.426 -7.511 1.00 90.78 C +HETATM 99 CD HYP A 15 1.639 5.812 -6.926 1.00 93.27 C +HETATM 100 OD1 HYP A 15 0.675 4.277 -8.483 1.00 90.27 O +ATOM 101 N GLY A 16 -0.365 3.244 -3.551 1.00 95.00 N +ATOM 102 CA GLY A 16 -0.208 2.848 -2.184 1.00 94.79 C +ATOM 103 C GLY A 16 1.077 2.080 -1.974 1.00 95.11 C +ATOM 104 O GLY A 16 1.763 1.710 -2.931 1.00 94.65 O +ATOM 105 N PRO A 17 1.416 1.839 -0.727 1.00 94.24 N +ATOM 106 CA PRO A 17 2.632 1.096 -0.433 1.00 94.09 C +ATOM 107 C PRO A 17 2.490 -0.376 -0.786 1.00 94.33 C +ATOM 108 O PRO A 17 1.386 -0.872 -0.981 1.00 93.31 O +ATOM 109 CB PRO A 17 2.804 1.304 1.076 1.00 92.98 C +ATOM 110 CG PRO A 17 1.428 1.522 1.569 1.00 90.96 C +ATOM 111 CD PRO A 17 0.697 2.242 0.479 1.00 92.50 C +HETATM 112 N HYP A 18 3.656 -1.041 -0.861 1.00 92.76 N +HETATM 113 CA HYP A 18 3.620 -2.463 -1.077 1.00 90.85 C +HETATM 114 C HYP A 18 2.864 -3.193 0.000 1.00 94.76 C +HETATM 115 O HYP A 18 2.835 -2.740 1.162 1.00 92.77 O +HETATM 116 CB HYP A 18 5.108 -2.853 -1.053 1.00 89.35 C +HETATM 117 CG HYP A 18 5.835 -1.596 -1.463 1.00 87.86 C +HETATM 118 CD HYP A 18 4.995 -0.513 -0.822 1.00 92.23 C +HETATM 119 OD1 HYP A 18 5.775 -1.483 -2.872 1.00 87.75 O +ATOM 120 N GLY A 19 2.228 -4.238 -0.356 1.00 92.22 N +ATOM 121 CA GLY A 19 1.570 -5.068 0.617 1.00 92.16 C +ATOM 122 C GLY A 19 2.571 -5.728 1.540 1.00 92.31 C +ATOM 123 O GLY A 19 3.777 -5.690 1.308 1.00 92.95 O +ATOM 124 N PRO A 20 2.071 -6.339 2.594 1.00 91.20 N +ATOM 125 CA PRO A 20 2.955 -7.007 3.530 1.00 91.18 C +ATOM 126 C PRO A 20 3.548 -8.274 2.926 1.00 90.92 C +ATOM 127 O PRO A 20 3.063 -8.778 1.918 1.00 90.63 O +ATOM 128 CB PRO A 20 2.037 -7.327 4.712 1.00 89.16 C +ATOM 129 CG PRO A 20 0.691 -7.418 4.104 1.00 86.84 C +ATOM 130 CD PRO A 20 0.667 -6.445 2.961 1.00 89.51 C +HETATM 131 N HYP A 21 4.623 -8.743 3.566 1.00 93.75 N +HETATM 132 CA HYP A 21 5.188 -10.004 3.141 1.00 91.17 C +HETATM 133 C HYP A 21 4.203 -11.132 3.199 1.00 93.55 C +HETATM 134 O HYP A 21 3.359 -11.155 4.091 1.00 93.91 O +HETATM 135 CB HYP A 21 6.369 -10.223 4.069 1.00 89.81 C +HETATM 136 CG HYP A 21 6.757 -8.844 4.533 1.00 87.37 C +HETATM 137 CD HYP A 21 5.429 -8.111 4.617 1.00 91.21 C +HETATM 138 OD1 HYP A 21 7.562 -8.236 3.530 1.00 86.83 O +ATOM 139 N GLY A 22 4.228 -11.989 2.212 1.00 92.14 N +ATOM 140 CA GLY A 22 3.398 -13.153 2.215 1.00 90.89 C +ATOM 141 C GLY A 22 3.837 -14.122 3.303 1.00 90.42 C +ATOM 142 O GLY A 22 4.891 -13.957 3.912 1.00 90.00 O +ATOM 143 N PRO A 23 3.043 -15.161 3.554 1.00 94.00 N +ATOM 144 CA PRO A 23 3.427 -16.154 4.551 1.00 93.67 C +ATOM 145 C PRO A 23 4.611 -16.959 4.040 1.00 92.42 C +ATOM 146 O PRO A 23 4.470 -17.736 3.100 1.00 88.97 O +ATOM 147 CB PRO A 23 2.186 -17.025 4.720 1.00 91.23 C +ATOM 148 CG PRO A 23 1.188 -16.521 3.757 1.00 88.44 C +ATOM 149 CD PRO A 23 1.806 -15.469 2.892 1.00 92.24 C +HETATM 150 N HYP A 24 5.764 -16.705 4.424 1.00 94.87 N +HETATM 151 CA HYP A 24 7.089 -16.957 3.713 1.00 90.32 C +HETATM 152 C HYP A 24 7.299 -16.412 2.455 1.00 94.58 C +HETATM 153 O HYP A 24 8.523 -15.995 2.074 1.00 92.88 O +HETATM 154 CB HYP A 24 8.043 -17.088 4.780 1.00 88.74 C +HETATM 155 CG HYP A 24 7.216 -17.690 5.944 1.00 88.94 C +HETATM 156 CD HYP A 24 5.789 -17.146 5.732 1.00 93.03 C +HETATM 157 OD1 HYP A 24 7.705 -17.281 7.192 1.00 89.87 O +HETATM 158 OXT HYP A 24 7.084 -17.264 1.446 1.00 87.84 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_554.txt b/protein_pdb_554.txt new file mode 100644 index 0000000000000000000000000000000000000000..3a1b7f3048d3c5983b79650aa3bdbae2e284405b --- /dev/null +++ b/protein_pdb_554.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 -6.757 14.768 -2.105 1.00 92.20 N +ATOM 2 CA GLY A 1 -6.786 13.535 -2.812 1.00 92.83 C +ATOM 3 C GLY A 1 -7.334 12.368 -2.020 1.00 93.62 C +ATOM 4 O GLY A 1 -7.460 12.440 -0.801 1.00 91.76 O +ATOM 5 N PRO A 2 -7.631 11.310 -2.690 1.00 91.92 N +ATOM 6 CA PRO A 2 -8.167 10.127 -2.045 1.00 92.18 C +ATOM 7 C PRO A 2 -7.089 9.343 -1.320 1.00 92.04 C +ATOM 8 O PRO A 2 -5.898 9.520 -1.572 1.00 89.88 O +ATOM 9 CB PRO A 2 -8.737 9.336 -3.214 1.00 89.34 C +ATOM 10 CG PRO A 2 -7.866 9.718 -4.353 1.00 86.67 C +ATOM 11 CD PRO A 2 -7.531 11.169 -4.133 1.00 88.64 C +HETATM 12 N HYP A 3 -7.536 8.456 -0.439 1.00 91.86 N +HETATM 13 CA HYP A 3 -6.583 7.596 0.257 1.00 90.15 C +HETATM 14 C HYP A 3 -5.871 6.644 -0.702 1.00 92.08 C +HETATM 15 O HYP A 3 -6.483 6.267 -1.739 1.00 93.31 O +HETATM 16 CB HYP A 3 -7.535 6.741 1.181 1.00 88.80 C +HETATM 17 CG HYP A 3 -8.739 7.647 1.394 1.00 85.59 C +HETATM 18 CD HYP A 3 -8.880 8.341 0.002 1.00 91.15 C +HETATM 19 OD1 HYP A 3 -8.408 8.601 2.352 1.00 89.47 O +ATOM 20 N GLY A 4 -4.650 6.358 -0.420 1.00 93.02 N +ATOM 21 CA GLY A 4 -3.904 5.440 -1.235 1.00 92.29 C +ATOM 22 C GLY A 4 -4.434 4.024 -1.099 1.00 92.61 C +ATOM 23 O GLY A 4 -5.231 3.725 -0.213 1.00 92.51 O +ATOM 24 N PRO A 5 -3.982 3.132 -1.978 1.00 92.82 N +ATOM 25 CA PRO A 5 -4.425 1.746 -1.924 1.00 92.28 C +ATOM 26 C PRO A 5 -3.816 1.007 -0.741 1.00 92.03 C +ATOM 27 O PRO A 5 -2.806 1.428 -0.187 1.00 90.67 O +ATOM 28 CB PRO A 5 -3.938 1.172 -3.249 1.00 90.81 C +ATOM 29 CG PRO A 5 -2.721 1.975 -3.549 1.00 89.40 C +ATOM 30 CD PRO A 5 -3.018 3.359 -3.044 1.00 91.58 C +HETATM 31 N HYP A 6 -4.474 -0.109 -0.382 1.00 92.58 N +HETATM 32 CA HYP A 6 -3.896 -0.974 0.648 1.00 93.45 C +HETATM 33 C HYP A 6 -2.534 -1.490 0.232 1.00 92.58 C +HETATM 34 O HYP A 6 -2.270 -1.638 -0.992 1.00 93.03 O +HETATM 35 CB HYP A 6 -4.928 -2.138 0.694 1.00 88.37 C +HETATM 36 CG HYP A 6 -6.231 -1.532 0.225 1.00 88.36 C +HETATM 37 CD HYP A 6 -5.771 -0.563 -0.882 1.00 91.41 C +HETATM 38 OD1 HYP A 6 -6.811 -0.784 1.269 1.00 89.25 O +ATOM 39 N GLY A 7 -1.667 -1.680 1.164 1.00 93.41 N +ATOM 40 CA GLY A 7 -0.374 -2.226 0.874 1.00 93.06 C +ATOM 41 C GLY A 7 -0.477 -3.636 0.330 1.00 93.53 C +ATOM 42 O GLY A 7 -1.515 -4.285 0.435 1.00 93.25 O +ATOM 43 N PRO A 8 0.599 -4.118 -0.258 1.00 93.11 N +ATOM 44 CA PRO A 8 0.581 -5.454 -0.839 1.00 92.95 C +ATOM 45 C PRO A 8 0.595 -6.544 0.216 1.00 93.21 C +ATOM 46 O PRO A 8 1.110 -6.360 1.317 1.00 91.69 O +ATOM 47 CB PRO A 8 1.846 -5.488 -1.688 1.00 90.74 C +ATOM 48 CG PRO A 8 2.758 -4.535 -1.007 1.00 89.68 C +ATOM 49 CD PRO A 8 1.878 -3.454 -0.461 1.00 91.64 C +HETATM 50 N HYP A 9 0.009 -7.706 -0.201 1.00 92.55 N +HETATM 51 CA HYP A 9 0.044 -8.859 0.669 1.00 92.47 C +HETATM 52 C HYP A 9 1.468 -9.373 0.789 1.00 93.87 C +HETATM 53 O HYP A 9 2.285 -9.137 -0.094 1.00 92.48 O +HETATM 54 CB HYP A 9 -0.727 -9.969 -0.114 1.00 86.99 C +HETATM 55 CG HYP A 9 -1.562 -9.243 -1.088 1.00 88.77 C +HETATM 56 CD HYP A 9 -0.776 -8.014 -1.425 1.00 90.92 C +HETATM 57 OD1 HYP A 9 -2.756 -8.859 -0.439 1.00 88.03 O +ATOM 58 N GLY A 10 1.869 -10.078 1.724 1.00 92.71 N +ATOM 59 CA GLY A 10 3.179 -10.675 1.814 1.00 90.87 C +ATOM 60 C GLY A 10 3.204 -11.783 2.838 1.00 91.21 C +ATOM 61 O GLY A 10 2.244 -12.007 3.574 1.00 89.35 O +ATOM 62 N ILE A 11 4.332 -12.475 2.903 1.00 92.55 N +ATOM 63 CA ILE A 11 4.454 -13.593 3.821 1.00 92.64 C +ATOM 64 C ILE A 11 4.468 -13.153 5.282 1.00 92.13 C +ATOM 65 O ILE A 11 4.326 -13.985 6.175 1.00 89.95 O +ATOM 66 CB ILE A 11 5.692 -14.443 3.510 1.00 91.76 C +ATOM 67 CG1 ILE A 11 6.966 -13.618 3.678 1.00 88.96 C +ATOM 68 CG2 ILE A 11 5.598 -15.026 2.114 1.00 86.83 C +ATOM 69 CD1 ILE A 11 8.239 -14.463 3.593 1.00 81.69 C +ATOM 70 N PHE A 12 4.659 -11.865 5.520 1.00 91.06 N +ATOM 71 CA PHE A 12 4.715 -11.355 6.880 1.00 91.49 C +ATOM 72 C PHE A 12 3.403 -10.744 7.358 1.00 91.86 C +ATOM 73 O PHE A 12 3.320 -10.331 8.517 1.00 88.82 O +ATOM 74 CB PHE A 12 5.837 -10.326 7.003 1.00 89.07 C +ATOM 75 CG PHE A 12 7.192 -10.891 6.705 1.00 84.36 C +ATOM 76 CD1 PHE A 12 7.781 -11.784 7.577 1.00 81.32 C +ATOM 77 CD2 PHE A 12 7.871 -10.550 5.548 1.00 78.08 C +ATOM 78 CE1 PHE A 12 9.023 -12.329 7.315 1.00 77.87 C +ATOM 79 CE2 PHE A 12 9.120 -11.091 5.270 1.00 79.44 C +ATOM 80 CZ PHE A 12 9.699 -11.973 6.158 1.00 77.86 C +ATOM 81 N GLY A 13 2.397 -10.674 6.513 1.00 94.58 N +ATOM 82 CA GLY A 13 1.141 -10.115 6.968 1.00 94.12 C +ATOM 83 C GLY A 13 0.184 -9.769 5.856 1.00 94.83 C +ATOM 84 O GLY A 13 0.495 -9.929 4.676 1.00 94.72 O +ATOM 85 N PRO A 14 -0.988 -9.308 6.240 1.00 94.74 N +ATOM 86 CA PRO A 14 -2.023 -8.939 5.283 1.00 94.68 C +ATOM 87 C PRO A 14 -1.704 -7.618 4.606 1.00 94.80 C +ATOM 88 O PRO A 14 -0.684 -6.991 4.885 1.00 93.62 O +ATOM 89 CB PRO A 14 -3.272 -8.829 6.153 1.00 93.32 C +ATOM 90 CG PRO A 14 -2.745 -8.368 7.465 1.00 92.04 C +ATOM 91 CD PRO A 14 -1.412 -9.060 7.623 1.00 93.31 C +HETATM 92 N HYP A 15 -2.640 -7.211 3.715 1.00 93.38 N +HETATM 93 CA HYP A 15 -2.443 -5.941 3.065 1.00 93.57 C +HETATM 94 C HYP A 15 -2.262 -4.825 4.054 1.00 94.88 C +HETATM 95 O HYP A 15 -2.886 -4.853 5.147 1.00 93.46 O +HETATM 96 CB HYP A 15 -3.782 -5.723 2.297 1.00 91.16 C +HETATM 97 CG HYP A 15 -4.288 -7.107 2.055 1.00 89.65 C +HETATM 98 CD HYP A 15 -3.893 -7.864 3.317 1.00 91.73 C +HETATM 99 OD1 HYP A 15 -3.628 -7.650 0.965 1.00 89.82 O +ATOM 100 N GLY A 16 -1.408 -3.921 3.719 1.00 95.01 N +ATOM 101 CA GLY A 16 -1.221 -2.777 4.571 1.00 94.47 C +ATOM 102 C GLY A 16 -2.434 -1.877 4.559 1.00 94.80 C +ATOM 103 O GLY A 16 -3.354 -2.061 3.760 1.00 94.59 O +ATOM 104 N PRO A 17 -2.447 -0.900 5.453 1.00 92.01 N +ATOM 105 CA PRO A 17 -3.566 0.030 5.502 1.00 91.18 C +ATOM 106 C PRO A 17 -3.565 0.953 4.293 1.00 91.31 C +ATOM 107 O PRO A 17 -2.560 1.091 3.603 1.00 89.56 O +ATOM 108 CB PRO A 17 -3.326 0.805 6.792 1.00 89.40 C +ATOM 109 CG PRO A 17 -1.856 0.739 6.978 1.00 88.72 C +ATOM 110 CD PRO A 17 -1.427 -0.594 6.450 1.00 90.41 C +HETATM 111 N HYP A 18 -4.736 1.568 4.046 1.00 90.17 N +HETATM 112 CA HYP A 18 -4.792 2.543 2.996 1.00 86.35 C +HETATM 113 C HYP A 18 -3.823 3.671 3.210 1.00 89.38 C +HETATM 114 O HYP A 18 -3.536 4.038 4.370 1.00 88.81 O +HETATM 115 CB HYP A 18 -6.264 3.045 3.117 1.00 86.03 C +HETATM 116 CG HYP A 18 -7.012 1.866 3.694 1.00 84.54 C +HETATM 117 CD HYP A 18 -6.019 1.309 4.687 1.00 90.07 C +HETATM 118 OD1 HYP A 18 -7.257 0.917 2.685 1.00 86.98 O +ATOM 119 N GLY A 19 -3.254 4.156 2.154 1.00 87.02 N +ATOM 120 CA GLY A 19 -2.350 5.265 2.247 1.00 85.85 C +ATOM 121 C GLY A 19 -3.060 6.517 2.709 1.00 85.62 C +ATOM 122 O GLY A 19 -4.291 6.568 2.753 1.00 86.75 O +ATOM 123 N PRO A 20 -2.297 7.532 3.056 1.00 84.80 N +ATOM 124 CA PRO A 20 -2.894 8.773 3.520 1.00 84.49 C +ATOM 125 C PRO A 20 -3.564 9.521 2.381 1.00 84.12 C +ATOM 126 O PRO A 20 -3.242 9.327 1.216 1.00 84.59 O +ATOM 127 CB PRO A 20 -1.700 9.556 4.063 1.00 82.16 C +ATOM 128 CG PRO A 20 -0.557 9.053 3.267 1.00 80.19 C +ATOM 129 CD PRO A 20 -0.839 7.591 3.030 1.00 81.66 C +HETATM 130 N HYP A 21 -4.501 10.356 2.770 1.00 89.25 N +HETATM 131 CA HYP A 21 -5.126 11.206 1.777 1.00 88.68 C +HETATM 132 C HYP A 21 -4.141 12.134 1.104 1.00 88.79 C +HETATM 133 O HYP A 21 -3.168 12.561 1.740 1.00 90.84 O +HETATM 134 CB HYP A 21 -6.119 12.038 2.631 1.00 85.60 C +HETATM 135 CG HYP A 21 -6.390 11.221 3.864 1.00 83.09 C +HETATM 136 CD HYP A 21 -5.063 10.554 4.128 1.00 89.04 C +HETATM 137 OD1 HYP A 21 -7.344 10.219 3.547 1.00 83.74 O +ATOM 138 N GLY A 22 -4.302 12.340 -0.149 1.00 88.92 N +ATOM 139 CA GLY A 22 -3.495 13.316 -0.824 1.00 86.35 C +ATOM 140 C GLY A 22 -3.916 14.710 -0.395 1.00 85.90 C +ATOM 141 O GLY A 22 -4.907 14.884 0.314 1.00 85.71 O +ATOM 142 N PRO A 23 -3.185 15.734 -0.814 1.00 92.74 N +ATOM 143 CA PRO A 23 -3.566 17.096 -0.465 1.00 92.15 C +ATOM 144 C PRO A 23 -4.815 17.490 -1.239 1.00 91.34 C +ATOM 145 O PRO A 23 -4.790 17.586 -2.455 1.00 87.68 O +ATOM 146 CB PRO A 23 -2.348 17.924 -0.871 1.00 88.99 C +ATOM 147 CG PRO A 23 -1.691 17.120 -1.925 1.00 86.73 C +ATOM 148 CD PRO A 23 -1.970 15.673 -1.614 1.00 89.68 C +HETATM 149 N HYP A 24 -5.905 17.513 -0.639 1.00 94.65 N +HETATM 150 CA HYP A 24 -7.293 17.322 -1.267 1.00 90.54 C +HETATM 151 C HYP A 24 -7.615 16.201 -1.977 1.00 93.48 C +HETATM 152 O HYP A 24 -8.781 15.592 -1.921 1.00 92.55 O +HETATM 153 CB HYP A 24 -8.186 18.098 -0.399 1.00 88.16 C +HETATM 154 CG HYP A 24 -7.288 19.160 0.216 1.00 87.65 C +HETATM 155 CD HYP A 24 -5.882 18.509 0.296 1.00 91.21 C +HETATM 156 OD1 HYP A 24 -7.714 19.603 1.473 1.00 89.18 O +HETATM 157 OXT HYP A 24 -7.485 16.275 -3.287 1.00 88.56 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_555.txt b/protein_pdb_555.txt new file mode 100644 index 0000000000000000000000000000000000000000..d5601b0c6e7dcad9a30bc0c82986d350d3502cde --- /dev/null +++ b/protein_pdb_555.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 7.184 -14.396 -7.530 1.00 83.10 N +ATOM 2 CA GLY A 1 6.166 -13.712 -8.250 1.00 83.32 C +ATOM 3 C GLY A 1 6.331 -12.204 -8.322 1.00 85.00 C +ATOM 4 O GLY A 1 7.321 -11.651 -7.831 1.00 82.04 O +ATOM 5 N PRO A 2 5.370 -11.557 -8.912 1.00 90.71 N +ATOM 6 CA PRO A 2 5.406 -10.118 -9.104 1.00 91.28 C +ATOM 7 C PRO A 2 5.095 -9.362 -7.824 1.00 91.74 C +ATOM 8 O PRO A 2 4.672 -9.940 -6.828 1.00 88.86 O +ATOM 9 CB PRO A 2 4.327 -9.891 -10.162 1.00 87.93 C +ATOM 10 CG PRO A 2 3.346 -10.980 -9.899 1.00 85.48 C +ATOM 11 CD PRO A 2 4.164 -12.162 -9.455 1.00 87.56 C +HETATM 12 N HYP A 3 5.286 -8.030 -7.930 1.00 90.35 N +HETATM 13 CA HYP A 3 4.986 -7.226 -6.756 1.00 89.77 C +HETATM 14 C HYP A 3 3.562 -7.363 -6.324 1.00 91.67 C +HETATM 15 O HYP A 3 2.664 -7.646 -7.161 1.00 90.78 O +HETATM 16 CB HYP A 3 5.255 -5.794 -7.302 1.00 89.41 C +HETATM 17 CG HYP A 3 6.251 -5.997 -8.390 1.00 82.78 C +HETATM 18 CD HYP A 3 5.817 -7.299 -9.040 1.00 88.44 C +HETATM 19 OD1 HYP A 3 7.537 -6.143 -7.866 1.00 88.38 O +ATOM 20 N GLY A 4 3.343 -7.283 -5.055 1.00 93.21 N +ATOM 21 CA GLY A 4 2.007 -7.328 -4.536 1.00 91.56 C +ATOM 22 C GLY A 4 1.222 -6.095 -4.942 1.00 91.52 C +ATOM 23 O GLY A 4 1.751 -5.175 -5.568 1.00 90.34 O +ATOM 24 N PRO A 5 -0.055 -6.073 -4.591 1.00 93.11 N +ATOM 25 CA PRO A 5 -0.892 -4.924 -4.919 1.00 91.66 C +ATOM 26 C PRO A 5 -0.477 -3.698 -4.115 1.00 91.43 C +ATOM 27 O PRO A 5 0.206 -3.808 -3.102 1.00 89.47 O +ATOM 28 CB PRO A 5 -2.299 -5.385 -4.552 1.00 89.21 C +ATOM 29 CG PRO A 5 -2.074 -6.397 -3.488 1.00 88.27 C +ATOM 30 CD PRO A 5 -0.788 -7.087 -3.842 1.00 90.74 C +HETATM 31 N HYP A 6 -0.873 -2.560 -4.578 1.00 92.69 N +HETATM 32 CA HYP A 6 -0.636 -1.315 -3.849 1.00 93.07 C +HETATM 33 C HYP A 6 -1.101 -1.385 -2.466 1.00 90.78 C +HETATM 34 O HYP A 6 -2.139 -2.083 -2.153 1.00 90.75 O +HETATM 35 CB HYP A 6 -1.416 -0.354 -4.690 1.00 89.28 C +HETATM 36 CG HYP A 6 -1.413 -0.934 -6.061 1.00 87.28 C +HETATM 37 CD HYP A 6 -1.555 -2.374 -5.802 1.00 89.12 C +HETATM 38 OD1 HYP A 6 -0.198 -0.678 -6.717 1.00 86.51 O +ATOM 39 N GLY A 7 -0.372 -0.806 -1.579 1.00 91.93 N +ATOM 40 CA GLY A 7 -0.746 -0.773 -0.194 1.00 89.77 C +ATOM 41 C GLY A 7 -2.035 0.006 0.000 1.00 89.82 C +ATOM 42 O GLY A 7 -2.553 0.634 -0.924 1.00 88.89 O +ATOM 43 N PRO A 8 -2.561 -0.040 1.208 1.00 90.03 N +ATOM 44 CA PRO A 8 -3.797 0.677 1.485 1.00 88.78 C +ATOM 45 C PRO A 8 -3.566 2.178 1.458 1.00 88.22 C +ATOM 46 O PRO A 8 -2.474 2.666 1.736 1.00 84.42 O +ATOM 47 CB PRO A 8 -4.193 0.196 2.874 1.00 85.75 C +ATOM 48 CG PRO A 8 -2.905 -0.194 3.499 1.00 86.46 C +ATOM 49 CD PRO A 8 -2.052 -0.728 2.378 1.00 89.13 C +HETATM 50 N HYP A 9 -4.596 2.903 1.156 1.00 86.08 N +HETATM 51 CA HYP A 9 -4.563 4.304 1.151 1.00 86.99 C +HETATM 52 C HYP A 9 -4.332 4.840 2.559 1.00 86.29 C +HETATM 53 O HYP A 9 -4.748 4.211 3.538 1.00 82.64 O +HETATM 54 CB HYP A 9 -6.027 4.637 0.819 1.00 83.37 C +HETATM 55 CG HYP A 9 -6.564 3.469 0.127 1.00 84.37 C +HETATM 56 CD HYP A 9 -5.846 2.366 0.713 1.00 84.76 C +HETATM 57 OD1 HYP A 9 -6.270 3.520 -1.254 1.00 81.30 O +ATOM 58 N GLY A 10 -3.708 5.950 2.652 1.00 84.21 N +ATOM 59 CA GLY A 10 -3.678 6.642 3.917 1.00 81.39 C +ATOM 60 C GLY A 10 -5.050 7.231 4.206 1.00 82.09 C +ATOM 61 O GLY A 10 -5.995 7.060 3.439 1.00 79.27 O +ATOM 62 N HIS A 11 -5.157 7.926 5.317 1.00 79.64 N +ATOM 63 CA HIS A 11 -6.426 8.588 5.605 1.00 80.84 C +ATOM 64 C HIS A 11 -6.803 9.516 4.466 1.00 81.00 C +ATOM 65 O HIS A 11 -7.985 9.651 4.124 1.00 76.76 O +ATOM 66 CB HIS A 11 -6.320 9.367 6.913 1.00 76.72 C +ATOM 67 CG HIS A 11 -6.351 8.474 8.117 1.00 72.87 C +ATOM 68 ND1 HIS A 11 -5.239 7.896 8.648 1.00 70.37 N +ATOM 69 CD2 HIS A 11 -7.390 8.074 8.879 1.00 65.52 C +ATOM 70 CE1 HIS A 11 -5.594 7.167 9.692 1.00 67.01 C +ATOM 71 NE2 HIS A 11 -6.896 7.258 9.864 1.00 66.73 N +ATOM 72 N TYR A 12 -5.793 10.147 3.869 1.00 74.15 N +ATOM 73 CA TYR A 12 -5.979 10.939 2.673 1.00 75.52 C +ATOM 74 C TYR A 12 -4.688 10.860 1.861 1.00 74.62 C +ATOM 75 O TYR A 12 -3.630 11.237 2.352 1.00 70.15 O +ATOM 76 CB TYR A 12 -6.296 12.396 3.007 1.00 73.42 C +ATOM 77 CG TYR A 12 -6.405 13.256 1.771 1.00 70.18 C +ATOM 78 CD1 TYR A 12 -7.540 13.216 0.990 1.00 67.20 C +ATOM 79 CD2 TYR A 12 -5.349 14.067 1.372 1.00 64.65 C +ATOM 80 CE1 TYR A 12 -7.636 13.982 -0.168 1.00 62.91 C +ATOM 81 CE2 TYR A 12 -5.433 14.835 0.218 1.00 63.81 C +ATOM 82 CZ TYR A 12 -6.579 14.786 -0.546 1.00 60.82 C +ATOM 83 OH TYR A 12 -6.666 15.541 -1.691 1.00 60.26 O +ATOM 84 N GLY A 13 -4.803 10.369 0.649 1.00 84.18 N +ATOM 85 CA GLY A 13 -3.632 10.271 -0.191 1.00 82.06 C +ATOM 86 C GLY A 13 -3.699 9.059 -1.094 1.00 82.93 C +ATOM 87 O GLY A 13 -4.662 8.293 -1.057 1.00 80.75 O +ATOM 88 N PRO A 14 -2.690 8.904 -1.918 1.00 82.82 N +ATOM 89 CA PRO A 14 -2.663 7.801 -2.864 1.00 82.35 C +ATOM 90 C PRO A 14 -2.433 6.474 -2.165 1.00 82.51 C +ATOM 91 O PRO A 14 -2.028 6.417 -1.010 1.00 79.56 O +ATOM 92 CB PRO A 14 -1.502 8.154 -3.792 1.00 78.30 C +ATOM 93 CG PRO A 14 -0.590 8.940 -2.922 1.00 78.49 C +ATOM 94 CD PRO A 14 -1.498 9.725 -2.002 1.00 79.60 C +HETATM 95 N HYP A 15 -2.675 5.426 -2.909 1.00 85.35 N +HETATM 96 CA HYP A 15 -2.390 4.117 -2.408 1.00 84.85 C +HETATM 97 C HYP A 15 -0.976 3.987 -2.012 1.00 90.65 C +HETATM 98 O HYP A 15 -0.103 4.740 -2.513 1.00 85.92 O +HETATM 99 CB HYP A 15 -2.728 3.280 -3.645 1.00 85.36 C +HETATM 100 CG HYP A 15 -3.700 4.116 -4.422 1.00 81.12 C +HETATM 101 CD HYP A 15 -3.205 5.502 -4.235 1.00 84.25 C +HETATM 102 OD1 HYP A 15 -5.006 3.985 -3.946 1.00 82.87 O +ATOM 103 N GLY A 16 -0.701 3.108 -1.133 1.00 91.02 N +ATOM 104 CA GLY A 16 0.662 2.840 -0.779 1.00 89.89 C +ATOM 105 C GLY A 16 1.412 2.185 -1.922 1.00 90.22 C +ATOM 106 O GLY A 16 0.841 1.894 -2.974 1.00 89.41 O +ATOM 107 N PRO A 17 2.709 1.975 -1.718 1.00 91.24 N +ATOM 108 CA PRO A 17 3.513 1.351 -2.761 1.00 90.65 C +ATOM 109 C PRO A 17 3.122 -0.110 -2.947 1.00 91.22 C +ATOM 110 O PRO A 17 2.493 -0.715 -2.081 1.00 89.46 O +ATOM 111 CB PRO A 17 4.947 1.490 -2.241 1.00 88.20 C +ATOM 112 CG PRO A 17 4.784 1.559 -0.766 1.00 87.78 C +ATOM 113 CD PRO A 17 3.488 2.267 -0.524 1.00 89.59 C +HETATM 114 N HYP A 18 3.501 -0.647 -4.070 1.00 92.25 N +HETATM 115 CA HYP A 18 3.264 -2.045 -4.318 1.00 92.59 C +HETATM 116 C HYP A 18 3.876 -2.898 -3.278 1.00 93.47 C +HETATM 117 O HYP A 18 4.904 -2.533 -2.658 1.00 91.98 O +HETATM 118 CB HYP A 18 3.956 -2.197 -5.655 1.00 90.90 C +HETATM 119 CG HYP A 18 3.894 -0.846 -6.291 1.00 85.39 C +HETATM 120 CD HYP A 18 4.102 0.071 -5.158 1.00 89.08 C +HETATM 121 OD1 HYP A 18 2.642 -0.642 -6.887 1.00 85.84 O +ATOM 122 N GLY A 19 3.223 -3.972 -2.983 1.00 93.63 N +ATOM 123 CA GLY A 19 3.733 -4.900 -2.012 1.00 92.68 C +ATOM 124 C GLY A 19 5.018 -5.548 -2.498 1.00 93.01 C +ATOM 125 O GLY A 19 5.446 -5.345 -3.628 1.00 92.57 O +ATOM 126 N PRO A 20 5.620 -6.333 -1.627 1.00 92.90 N +ATOM 127 CA PRO A 20 6.844 -7.016 -2.007 1.00 91.75 C +ATOM 128 C PRO A 20 6.568 -8.088 -3.048 1.00 91.34 C +ATOM 129 O PRO A 20 5.435 -8.524 -3.220 1.00 88.47 O +ATOM 130 CB PRO A 20 7.333 -7.619 -0.694 1.00 89.35 C +ATOM 131 CG PRO A 20 6.091 -7.802 0.104 1.00 88.15 C +ATOM 132 CD PRO A 20 5.189 -6.670 -0.284 1.00 90.83 C +HETATM 133 N HYP A 21 7.605 -8.504 -3.716 1.00 91.28 N +HETATM 134 CA HYP A 21 7.491 -9.559 -4.660 1.00 92.27 C +HETATM 135 C HYP A 21 6.924 -10.823 -4.064 1.00 90.47 C +HETATM 136 O HYP A 21 7.203 -11.118 -2.900 1.00 89.20 O +HETATM 137 CB HYP A 21 8.917 -9.745 -5.080 1.00 87.28 C +HETATM 138 CG HYP A 21 9.538 -8.399 -4.925 1.00 86.44 C +HETATM 139 CD HYP A 21 8.921 -7.902 -3.697 1.00 89.87 C +HETATM 140 OD1 HYP A 21 9.210 -7.535 -6.000 1.00 85.12 O +ATOM 141 N GLY A 22 6.056 -11.452 -4.804 1.00 86.83 N +ATOM 142 CA GLY A 22 5.475 -12.684 -4.352 1.00 83.86 C +ATOM 143 C GLY A 22 6.526 -13.777 -4.291 1.00 85.03 C +ATOM 144 O GLY A 22 7.658 -13.594 -4.732 1.00 82.63 O +ATOM 145 N PRO A 23 6.160 -14.947 -3.773 1.00 86.42 N +ATOM 146 CA PRO A 23 7.098 -16.056 -3.697 1.00 85.96 C +ATOM 147 C PRO A 23 7.487 -16.511 -5.097 1.00 85.13 C +ATOM 148 O PRO A 23 6.643 -17.027 -5.828 1.00 80.40 O +ATOM 149 CB PRO A 23 6.321 -17.144 -2.959 1.00 81.01 C +ATOM 150 CG PRO A 23 5.163 -16.450 -2.335 1.00 79.65 C +ATOM 151 CD PRO A 23 4.864 -15.276 -3.209 1.00 82.17 C +HETATM 152 N HYP A 24 8.639 -16.365 -5.533 1.00 80.65 N +HETATM 153 CA HYP A 24 9.069 -16.301 -6.944 1.00 61.83 C +HETATM 154 C HYP A 24 8.305 -15.758 -7.884 1.00 68.17 C +HETATM 155 O HYP A 24 8.790 -15.245 -8.992 1.00 70.75 O +HETATM 156 CB HYP A 24 10.480 -16.636 -6.913 1.00 68.89 C +HETATM 157 CG HYP A 24 10.720 -17.290 -5.528 1.00 71.47 C +HETATM 158 CD HYP A 24 9.426 -17.091 -4.729 1.00 79.32 C +HETATM 159 OD1 HYP A 24 11.748 -16.619 -4.824 1.00 77.53 O +HETATM 160 OXT HYP A 24 7.319 -16.540 -8.330 1.00 73.63 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_556.txt b/protein_pdb_556.txt new file mode 100644 index 0000000000000000000000000000000000000000..ec0628ba2d81a23230554220ebb43f5eb7f75540 --- /dev/null +++ b/protein_pdb_556.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 13.102 -2.683 -8.501 1.00 90.00 N +ATOM 2 CA GLY A 1 12.134 -1.642 -8.733 1.00 90.93 C +ATOM 3 C GLY A 1 11.745 -0.922 -7.465 1.00 91.22 C +ATOM 4 O GLY A 1 12.074 -1.370 -6.368 1.00 89.64 O +ATOM 5 N PRO A 2 10.996 0.167 -7.570 1.00 91.62 N +ATOM 6 CA PRO A 2 10.575 0.933 -6.413 1.00 92.18 C +ATOM 7 C PRO A 2 9.446 0.253 -5.667 1.00 91.94 C +ATOM 8 O PRO A 2 8.802 -0.661 -6.178 1.00 90.26 O +ATOM 9 CB PRO A 2 10.118 2.252 -7.024 1.00 89.46 C +ATOM 10 CG PRO A 2 9.645 1.862 -8.379 1.00 85.97 C +ATOM 11 CD PRO A 2 10.580 0.774 -8.830 1.00 88.49 C +HETATM 12 N HYP A 3 9.234 0.716 -4.438 1.00 88.06 N +HETATM 13 CA HYP A 3 8.083 0.194 -3.688 1.00 88.55 C +HETATM 14 C HYP A 3 6.790 0.486 -4.379 1.00 88.28 C +HETATM 15 O HYP A 3 6.683 1.485 -5.110 1.00 92.09 O +HETATM 16 CB HYP A 3 8.182 1.044 -2.365 1.00 87.84 C +HETATM 17 CG HYP A 3 9.632 1.370 -2.250 1.00 82.86 C +HETATM 18 CD HYP A 3 10.048 1.618 -3.707 1.00 88.40 C +HETATM 19 OD1 HYP A 3 10.302 0.265 -1.746 1.00 86.96 O +ATOM 20 N GLY A 4 5.861 -0.431 -4.209 1.00 91.82 N +ATOM 21 CA GLY A 4 4.560 -0.262 -4.792 1.00 90.99 C +ATOM 22 C GLY A 4 3.824 0.904 -4.158 1.00 91.31 C +ATOM 23 O GLY A 4 4.263 1.472 -3.162 1.00 91.79 O +ATOM 24 N PRO A 5 2.688 1.271 -4.736 1.00 92.32 N +ATOM 25 CA PRO A 5 1.913 2.381 -4.204 1.00 91.78 C +ATOM 26 C PRO A 5 1.253 2.021 -2.885 1.00 91.73 C +ATOM 27 O PRO A 5 1.120 0.850 -2.541 1.00 90.40 O +ATOM 28 CB PRO A 5 0.879 2.636 -5.289 1.00 89.87 C +ATOM 29 CG PRO A 5 0.701 1.312 -5.928 1.00 88.65 C +ATOM 30 CD PRO A 5 2.056 0.667 -5.901 1.00 90.76 C +HETATM 31 N HYP A 6 0.855 3.053 -2.144 1.00 91.68 N +HETATM 32 CA HYP A 6 0.122 2.812 -0.929 1.00 94.65 C +HETATM 33 C HYP A 6 -1.172 2.094 -1.183 1.00 91.68 C +HETATM 34 O HYP A 6 -1.770 2.250 -2.264 1.00 92.25 O +HETATM 35 CB HYP A 6 -0.185 4.283 -0.458 1.00 86.91 C +HETATM 36 CG HYP A 6 0.922 5.084 -1.054 1.00 86.19 C +HETATM 37 CD HYP A 6 1.103 4.441 -2.410 1.00 89.23 C +HETATM 38 OD1 HYP A 6 2.085 4.904 -0.286 1.00 87.89 O +ATOM 39 N GLY A 7 -1.524 1.270 -0.260 1.00 92.81 N +ATOM 40 CA GLY A 7 -2.768 0.558 -0.360 1.00 91.66 C +ATOM 41 C GLY A 7 -3.944 1.512 -0.310 1.00 92.23 C +ATOM 42 O GLY A 7 -3.799 2.702 -0.044 1.00 91.94 O +ATOM 43 N PRO A 8 -5.126 0.990 -0.572 1.00 92.31 N +ATOM 44 CA PRO A 8 -6.315 1.828 -0.563 1.00 91.75 C +ATOM 45 C PRO A 8 -6.692 2.242 0.851 1.00 91.81 C +ATOM 46 O PRO A 8 -6.323 1.601 1.824 1.00 90.41 O +ATOM 47 CB PRO A 8 -7.387 0.939 -1.178 1.00 89.77 C +ATOM 48 CG PRO A 8 -6.940 -0.430 -0.829 1.00 88.76 C +ATOM 49 CD PRO A 8 -5.436 -0.398 -0.893 1.00 90.98 C +HETATM 50 N HYP A 9 -7.457 3.327 0.951 1.00 90.05 N +HETATM 51 CA HYP A 9 -7.936 3.765 2.201 1.00 88.77 C +HETATM 52 C HYP A 9 -8.938 2.775 2.746 1.00 91.17 C +HETATM 53 O HYP A 9 -9.668 2.132 1.997 1.00 89.77 O +HETATM 54 CB HYP A 9 -8.743 5.066 1.829 1.00 84.12 C +HETATM 55 CG HYP A 9 -8.157 5.495 0.562 1.00 85.88 C +HETATM 56 CD HYP A 9 -7.800 4.269 -0.134 1.00 88.17 C +HETATM 57 OD1 HYP A 9 -6.989 6.244 0.828 1.00 84.97 O +ATOM 58 N GLY A 10 -8.974 2.594 4.029 1.00 91.51 N +ATOM 59 CA GLY A 10 -10.052 1.876 4.664 1.00 89.07 C +ATOM 60 C GLY A 10 -11.301 2.739 4.653 1.00 88.61 C +ATOM 61 O GLY A 10 -11.308 3.852 4.131 1.00 87.32 O +ATOM 62 N ASN A 11 -12.354 2.229 5.243 1.00 91.74 N +ATOM 63 CA ASN A 11 -13.576 3.030 5.304 1.00 92.34 C +ATOM 64 C ASN A 11 -13.346 4.340 6.037 1.00 92.13 C +ATOM 65 O ASN A 11 -13.863 5.379 5.632 1.00 90.05 O +ATOM 66 CB ASN A 11 -14.690 2.243 5.979 1.00 89.99 C +ATOM 67 CG ASN A 11 -15.208 1.127 5.107 1.00 84.46 C +ATOM 68 OD1 ASN A 11 -15.265 1.252 3.884 1.00 82.39 O +ATOM 69 ND2 ASN A 11 -15.597 0.031 5.724 1.00 78.43 N +ATOM 70 N PHE A 12 -12.587 4.267 7.118 1.00 89.04 N +ATOM 71 CA PHE A 12 -12.294 5.444 7.921 1.00 90.69 C +ATOM 72 C PHE A 12 -10.846 5.439 8.391 1.00 90.94 C +ATOM 73 O PHE A 12 -10.526 5.945 9.460 1.00 87.70 O +ATOM 74 CB PHE A 12 -13.227 5.502 9.138 1.00 89.08 C +ATOM 75 CG PHE A 12 -14.683 5.532 8.760 1.00 85.31 C +ATOM 76 CD1 PHE A 12 -15.272 6.714 8.357 1.00 81.20 C +ATOM 77 CD2 PHE A 12 -15.453 4.385 8.789 1.00 79.60 C +ATOM 78 CE1 PHE A 12 -16.609 6.757 7.988 1.00 78.68 C +ATOM 79 CE2 PHE A 12 -16.787 4.411 8.419 1.00 80.72 C +ATOM 80 CZ PHE A 12 -17.363 5.600 8.027 1.00 79.14 C +ATOM 81 N GLY A 13 -9.968 4.877 7.593 1.00 92.58 N +ATOM 82 CA GLY A 13 -8.592 4.717 7.999 1.00 91.62 C +ATOM 83 C GLY A 13 -7.606 5.169 6.949 1.00 92.23 C +ATOM 84 O GLY A 13 -7.986 5.493 5.826 1.00 92.04 O +ATOM 85 N PRO A 14 -6.345 5.197 7.319 1.00 93.54 N +ATOM 86 CA PRO A 14 -5.306 5.635 6.403 1.00 93.28 C +ATOM 87 C PRO A 14 -5.073 4.618 5.302 1.00 93.30 C +ATOM 88 O PRO A 14 -5.493 3.474 5.391 1.00 92.01 O +ATOM 89 CB PRO A 14 -4.078 5.768 7.299 1.00 91.77 C +ATOM 90 CG PRO A 14 -4.308 4.755 8.354 1.00 90.84 C +ATOM 91 CD PRO A 14 -5.792 4.772 8.604 1.00 91.95 C +HETATM 92 N HYP A 15 -4.386 5.092 4.306 1.00 92.48 N +HETATM 93 CA HYP A 15 -3.967 4.181 3.258 1.00 91.77 C +HETATM 94 C HYP A 15 -3.089 3.097 3.774 1.00 93.28 C +HETATM 95 O HYP A 15 -2.408 3.294 4.811 1.00 92.71 O +HETATM 96 CB HYP A 15 -3.186 5.177 2.342 1.00 89.20 C +HETATM 97 CG HYP A 15 -3.788 6.523 2.634 1.00 88.10 C +HETATM 98 CD HYP A 15 -4.064 6.478 4.095 1.00 91.30 C +HETATM 99 OD1 HYP A 15 -4.991 6.668 1.922 1.00 89.56 O +ATOM 100 N GLY A 16 -3.137 1.969 3.130 1.00 94.01 N +ATOM 101 CA GLY A 16 -2.281 0.880 3.499 1.00 93.57 C +ATOM 102 C GLY A 16 -0.829 1.209 3.230 1.00 94.00 C +ATOM 103 O GLY A 16 -0.508 2.237 2.631 1.00 93.61 O +ATOM 104 N PRO A 17 0.056 0.332 3.680 1.00 91.71 N +ATOM 105 CA PRO A 17 1.477 0.559 3.475 1.00 90.88 C +ATOM 106 C PRO A 17 1.863 0.384 2.020 1.00 91.31 C +ATOM 107 O PRO A 17 1.141 -0.237 1.244 1.00 89.63 O +ATOM 108 CB PRO A 17 2.135 -0.489 4.360 1.00 89.20 C +ATOM 109 CG PRO A 17 1.141 -1.582 4.407 1.00 88.26 C +ATOM 110 CD PRO A 17 -0.201 -0.911 4.395 1.00 90.01 C +HETATM 111 N HYP A 18 3.005 0.957 1.656 1.00 86.27 N +HETATM 112 CA HYP A 18 3.522 0.727 0.367 1.00 88.35 C +HETATM 113 C HYP A 18 3.783 -0.711 0.080 1.00 88.88 C +HETATM 114 O HYP A 18 4.094 -1.490 1.016 1.00 88.87 O +HETATM 115 CB HYP A 18 4.860 1.506 0.397 1.00 84.73 C +HETATM 116 CG HYP A 18 4.618 2.588 1.409 1.00 82.93 C +HETATM 117 CD HYP A 18 3.771 1.873 2.442 1.00 88.89 C +HETATM 118 OD1 HYP A 18 3.867 3.634 0.825 1.00 85.86 O +ATOM 119 N GLY A 19 3.627 -1.106 -1.135 1.00 87.72 N +ATOM 120 CA GLY A 19 3.921 -2.446 -1.543 1.00 86.75 C +ATOM 121 C GLY A 19 5.409 -2.718 -1.487 1.00 86.82 C +ATOM 122 O GLY A 19 6.216 -1.812 -1.288 1.00 88.35 O +ATOM 123 N PRO A 20 5.782 -3.978 -1.666 1.00 83.10 N +ATOM 124 CA PRO A 20 7.187 -4.337 -1.636 1.00 82.89 C +ATOM 125 C PRO A 20 7.912 -3.830 -2.867 1.00 82.32 C +ATOM 126 O PRO A 20 7.298 -3.503 -3.877 1.00 84.23 O +ATOM 127 CB PRO A 20 7.153 -5.860 -1.596 1.00 81.11 C +ATOM 128 CG PRO A 20 5.891 -6.202 -2.295 1.00 77.96 C +ATOM 129 CD PRO A 20 4.916 -5.117 -1.919 1.00 79.09 C +HETATM 130 N HYP A 21 9.239 -3.746 -2.753 1.00 81.95 N +HETATM 131 CA HYP A 21 10.010 -3.397 -3.884 1.00 83.78 C +HETATM 132 C HYP A 21 9.826 -4.328 -5.069 1.00 82.29 C +HETATM 133 O HYP A 21 9.631 -5.520 -4.873 1.00 89.83 O +HETATM 134 CB HYP A 21 11.471 -3.508 -3.403 1.00 82.64 C +HETATM 135 CG HYP A 21 11.379 -3.301 -1.925 1.00 77.04 C +HETATM 136 CD HYP A 21 10.069 -3.952 -1.569 1.00 84.91 C +HETATM 137 OD1 HYP A 21 11.265 -1.901 -1.651 1.00 83.18 O +ATOM 138 N GLY A 22 9.740 -3.759 -6.241 1.00 83.22 N +ATOM 139 CA GLY A 22 9.636 -4.542 -7.434 1.00 79.35 C +ATOM 140 C GLY A 22 10.954 -5.212 -7.752 1.00 78.10 C +ATOM 141 O GLY A 22 11.962 -4.993 -7.070 1.00 79.03 O +ATOM 142 N PRO A 23 10.987 -6.023 -8.796 1.00 91.14 N +ATOM 143 CA PRO A 23 12.230 -6.677 -9.172 1.00 90.85 C +ATOM 144 C PRO A 23 13.225 -5.655 -9.686 1.00 89.84 C +ATOM 145 O PRO A 23 12.890 -4.809 -10.509 1.00 86.76 O +ATOM 146 CB PRO A 23 11.802 -7.650 -10.264 1.00 87.18 C +ATOM 147 CG PRO A 23 10.582 -7.028 -10.841 1.00 83.81 C +ATOM 148 CD PRO A 23 9.889 -6.349 -9.688 1.00 87.88 C +HETATM 149 N HYP A 24 14.360 -5.645 -9.175 1.00 91.85 N +HETATM 150 CA HYP A 24 15.315 -4.514 -9.503 1.00 88.04 C +HETATM 151 C HYP A 24 14.882 -3.180 -9.180 1.00 91.18 C +HETATM 152 O HYP A 24 15.116 -2.186 -9.895 1.00 91.93 O +HETATM 153 CB HYP A 24 16.605 -5.026 -9.228 1.00 87.09 C +HETATM 154 CG HYP A 24 16.461 -6.507 -9.512 1.00 86.38 C +HETATM 155 CD HYP A 24 15.024 -6.849 -9.072 1.00 90.31 C +HETATM 156 OD1 HYP A 24 17.380 -7.269 -8.824 1.00 87.52 O +HETATM 157 OXT HYP A 24 14.806 -2.653 -7.991 1.00 88.36 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_557.txt b/protein_pdb_557.txt new file mode 100644 index 0000000000000000000000000000000000000000..5cf2a31311c96bd1b8cda3e139e68893f9dd406e --- /dev/null +++ b/protein_pdb_557.txt @@ -0,0 +1,165 @@ +ATOM 1 N GLY A 1 15.745 0.941 0.565 1.00 92.41 N +ATOM 2 CA GLY A 1 14.756 1.230 -0.421 1.00 92.82 C +ATOM 3 C GLY A 1 13.632 2.101 0.090 1.00 93.54 C +ATOM 4 O GLY A 1 13.453 2.259 1.293 1.00 92.43 O +ATOM 5 N PRO A 2 12.880 2.642 -0.795 1.00 93.23 N +ATOM 6 CA PRO A 2 11.770 3.499 -0.427 1.00 93.55 C +ATOM 7 C PRO A 2 10.585 2.693 0.070 1.00 93.50 C +ATOM 8 O PRO A 2 10.537 1.479 -0.084 1.00 92.12 O +ATOM 9 CB PRO A 2 11.445 4.211 -1.740 1.00 91.57 C +ATOM 10 CG PRO A 2 11.804 3.204 -2.776 1.00 88.15 C +ATOM 11 CD PRO A 2 13.028 2.516 -2.244 1.00 90.57 C +HETATM 12 N HYP A 3 9.643 3.415 0.674 1.00 93.06 N +HETATM 13 CA HYP A 3 8.425 2.742 1.099 1.00 92.37 C +HETATM 14 C HYP A 3 7.689 2.119 -0.068 1.00 94.88 C +HETATM 15 O HYP A 3 7.739 2.668 -1.200 1.00 94.70 O +HETATM 16 CB HYP A 3 7.552 3.911 1.671 1.00 91.78 C +HETATM 17 CG HYP A 3 8.568 4.937 2.119 1.00 89.44 C +HETATM 18 CD HYP A 3 9.665 4.805 1.017 1.00 91.77 C +HETATM 19 OD1 HYP A 3 9.094 4.506 3.339 1.00 91.12 O +ATOM 20 N GLY A 4 7.116 0.970 0.176 1.00 94.63 N +ATOM 21 CA GLY A 4 6.332 0.325 -0.842 1.00 94.18 C +ATOM 22 C GLY A 4 5.063 1.106 -1.119 1.00 94.64 C +ATOM 23 O GLY A 4 4.680 1.999 -0.359 1.00 94.86 O +ATOM 24 N PRO A 5 4.392 0.787 -2.213 1.00 95.10 N +ATOM 25 CA PRO A 5 3.157 1.471 -2.553 1.00 95.09 C +ATOM 26 C PRO A 5 2.026 1.076 -1.622 1.00 94.93 C +ATOM 27 O PRO A 5 2.120 0.082 -0.906 1.00 94.35 O +ATOM 28 CB PRO A 5 2.884 1.015 -3.986 1.00 93.79 C +ATOM 29 CG PRO A 5 3.496 -0.346 -4.032 1.00 91.41 C +ATOM 30 CD PRO A 5 4.727 -0.255 -3.183 1.00 93.70 C +HETATM 31 N HYP A 6 0.959 1.902 -1.647 1.00 93.87 N +HETATM 32 CA HYP A 6 -0.210 1.528 -0.876 1.00 95.28 C +HETATM 33 C HYP A 6 -0.740 0.191 -1.275 1.00 94.98 C +HETATM 34 O HYP A 6 -0.658 -0.184 -2.478 1.00 95.11 O +HETATM 35 CB HYP A 6 -1.213 2.661 -1.177 1.00 92.70 C +HETATM 36 CG HYP A 6 -0.344 3.830 -1.523 1.00 91.94 C +HETATM 37 CD HYP A 6 0.793 3.186 -2.279 1.00 92.79 C +HETATM 38 OD1 HYP A 6 0.142 4.412 -0.346 1.00 91.19 O +ATOM 39 N GLY A 7 -1.191 -0.568 -0.320 1.00 95.13 N +ATOM 40 CA GLY A 7 -1.774 -1.849 -0.612 1.00 95.08 C +ATOM 41 C GLY A 7 -3.000 -1.692 -1.482 1.00 95.43 C +ATOM 42 O GLY A 7 -3.555 -0.605 -1.619 1.00 95.60 O +ATOM 43 N PRO A 8 -3.432 -2.778 -2.082 1.00 95.60 N +ATOM 44 CA PRO A 8 -4.610 -2.712 -2.931 1.00 95.59 C +ATOM 45 C PRO A 8 -5.871 -2.496 -2.112 1.00 95.73 C +ATOM 46 O PRO A 8 -5.905 -2.772 -0.918 1.00 95.19 O +ATOM 47 CB PRO A 8 -4.620 -4.071 -3.628 1.00 94.27 C +ATOM 48 CG PRO A 8 -3.939 -4.965 -2.659 1.00 92.60 C +ATOM 49 CD PRO A 8 -2.880 -4.118 -2.007 1.00 94.22 C +HETATM 50 N HYP A 9 -6.914 -1.994 -2.780 1.00 95.19 N +HETATM 51 CA HYP A 9 -8.149 -1.813 -2.114 1.00 94.86 C +HETATM 52 C HYP A 9 -8.719 -3.129 -1.680 1.00 96.08 C +HETATM 53 O HYP A 9 -8.579 -4.145 -2.391 1.00 95.09 O +HETATM 54 CB HYP A 9 -9.064 -1.211 -3.250 1.00 93.37 C +HETATM 55 CG HYP A 9 -8.141 -0.593 -4.232 1.00 92.28 C +HETATM 56 CD HYP A 9 -6.939 -1.463 -4.174 1.00 94.56 C +HETATM 57 OD1 HYP A 9 -7.797 0.694 -3.761 1.00 91.76 O +ATOM 58 N GLY A 10 -9.339 -3.226 -0.536 1.00 95.11 N +ATOM 59 CA GLY A 10 -10.149 -4.368 -0.204 1.00 93.96 C +ATOM 60 C GLY A 10 -11.329 -4.399 -1.153 1.00 93.96 C +ATOM 61 O GLY A 10 -11.472 -3.532 -2.015 1.00 92.85 O +ATOM 62 N ARG A 11 -12.182 -5.396 -0.998 1.00 92.25 N +ATOM 63 CA ARG A 11 -13.329 -5.455 -1.904 1.00 92.15 C +ATOM 64 C ARG A 11 -14.082 -4.127 -1.900 1.00 92.40 C +ATOM 65 O ARG A 11 -14.483 -3.634 -2.950 1.00 90.71 O +ATOM 66 CB ARG A 11 -14.254 -6.606 -1.529 1.00 89.41 C +ATOM 67 CG ARG A 11 -15.407 -6.751 -2.507 1.00 83.39 C +ATOM 68 CD ARG A 11 -16.250 -7.982 -2.248 1.00 79.12 C +ATOM 69 NE ARG A 11 -16.134 -8.969 -3.309 1.00 75.46 N +ATOM 70 CZ ARG A 11 -16.677 -8.853 -4.523 1.00 71.50 C +ATOM 71 NH1 ARG A 11 -17.366 -7.775 -4.858 1.00 68.58 N +ATOM 72 NH2 ARG A 11 -16.530 -9.820 -5.404 1.00 67.52 N +ATOM 73 N TRP A 12 -14.230 -3.547 -0.709 1.00 92.73 N +ATOM 74 CA TRP A 12 -14.829 -2.222 -0.567 1.00 92.32 C +ATOM 75 C TRP A 12 -14.025 -1.326 0.352 1.00 92.29 C +ATOM 76 O TRP A 12 -14.402 -0.180 0.579 1.00 88.97 O +ATOM 77 CB TRP A 12 -16.265 -2.353 -0.031 1.00 92.05 C +ATOM 78 CG TRP A 12 -17.096 -3.351 -0.776 1.00 88.15 C +ATOM 79 CD1 TRP A 12 -17.499 -4.564 -0.316 1.00 85.51 C +ATOM 80 CD2 TRP A 12 -17.606 -3.228 -2.114 1.00 86.45 C +ATOM 81 NE1 TRP A 12 -18.235 -5.217 -1.286 1.00 78.25 N +ATOM 82 CE2 TRP A 12 -18.305 -4.415 -2.398 1.00 82.23 C +ATOM 83 CE3 TRP A 12 -17.538 -2.238 -3.094 1.00 81.42 C +ATOM 84 CZ2 TRP A 12 -18.937 -4.629 -3.628 1.00 86.23 C +ATOM 85 CZ3 TRP A 12 -18.153 -2.450 -4.291 1.00 77.62 C +ATOM 86 CH2 TRP A 12 -18.846 -3.634 -4.566 1.00 76.96 C +ATOM 87 N GLY A 13 -12.957 -1.851 0.894 1.00 96.30 N +ATOM 88 CA GLY A 13 -12.173 -1.148 1.881 1.00 96.00 C +ATOM 89 C GLY A 13 -11.146 -0.210 1.291 1.00 96.33 C +ATOM 90 O GLY A 13 -10.922 -0.188 0.081 1.00 95.98 O +ATOM 91 N PRO A 14 -10.506 0.574 2.147 1.00 96.64 N +ATOM 92 CA PRO A 14 -9.500 1.533 1.705 1.00 96.58 C +ATOM 93 C PRO A 14 -8.200 0.840 1.313 1.00 96.63 C +ATOM 94 O PRO A 14 -7.971 -0.315 1.656 1.00 96.16 O +ATOM 95 CB PRO A 14 -9.297 2.424 2.926 1.00 95.61 C +ATOM 96 CG PRO A 14 -9.568 1.509 4.071 1.00 93.95 C +ATOM 97 CD PRO A 14 -10.675 0.606 3.601 1.00 95.17 C +HETATM 98 N HYP A 15 -7.350 1.595 0.620 1.00 95.67 N +HETATM 99 CA HYP A 15 -6.045 1.101 0.306 1.00 95.95 C +HETATM 100 C HYP A 15 -5.253 0.781 1.547 1.00 96.68 C +HETATM 101 O HYP A 15 -5.460 1.438 2.599 1.00 95.57 O +HETATM 102 CB HYP A 15 -5.427 2.286 -0.468 1.00 93.53 C +HETATM 103 CG HYP A 15 -6.622 3.000 -1.070 1.00 91.86 C +HETATM 104 CD HYP A 15 -7.646 2.879 0.037 1.00 94.81 C +HETATM 105 OD1 HYP A 15 -7.046 2.311 -2.206 1.00 92.24 O +ATOM 106 N GLY A 16 -4.406 -0.204 1.466 1.00 96.11 N +ATOM 107 CA GLY A 16 -3.541 -0.521 2.564 1.00 95.78 C +ATOM 108 C GLY A 16 -2.507 0.558 2.768 1.00 95.73 C +ATOM 109 O GLY A 16 -2.322 1.435 1.918 1.00 95.45 O +ATOM 110 N PRO A 17 -1.815 0.510 3.900 1.00 94.90 N +ATOM 111 CA PRO A 17 -0.782 1.500 4.174 1.00 94.55 C +ATOM 112 C PRO A 17 0.430 1.284 3.282 1.00 94.51 C +ATOM 113 O PRO A 17 0.594 0.228 2.680 1.00 93.84 O +ATOM 114 CB PRO A 17 -0.445 1.249 5.642 1.00 93.36 C +ATOM 115 CG PRO A 17 -0.748 -0.192 5.831 1.00 91.35 C +ATOM 116 CD PRO A 17 -1.948 -0.468 4.970 1.00 92.88 C +HETATM 117 N HYP A 18 1.293 2.338 3.206 1.00 92.57 N +HETATM 118 CA HYP A 18 2.501 2.171 2.492 1.00 93.15 C +HETATM 119 C HYP A 18 3.327 1.033 3.009 1.00 93.69 C +HETATM 120 O HYP A 18 3.306 0.764 4.235 1.00 93.92 O +HETATM 121 CB HYP A 18 3.224 3.516 2.658 1.00 90.33 C +HETATM 122 CG HYP A 18 2.117 4.493 2.905 1.00 90.23 C +HETATM 123 CD HYP A 18 1.145 3.677 3.728 1.00 93.18 C +HETATM 124 OD1 HYP A 18 1.513 4.858 1.677 1.00 89.94 O +ATOM 125 N GLY A 19 3.975 0.326 2.133 1.00 93.44 N +ATOM 126 CA GLY A 19 4.836 -0.748 2.535 1.00 93.27 C +ATOM 127 C GLY A 19 6.018 -0.230 3.324 1.00 93.44 C +ATOM 128 O GLY A 19 6.321 0.960 3.308 1.00 94.19 O +ATOM 129 N PRO A 20 6.707 -1.114 4.025 1.00 92.24 N +ATOM 130 CA PRO A 20 7.872 -0.704 4.787 1.00 91.79 C +ATOM 131 C PRO A 20 9.027 -0.346 3.866 1.00 91.43 C +ATOM 132 O PRO A 20 9.043 -0.715 2.698 1.00 91.31 O +ATOM 133 CB PRO A 20 8.188 -1.930 5.635 1.00 89.98 C +ATOM 134 CG PRO A 20 7.692 -3.061 4.811 1.00 87.60 C +ATOM 135 CD PRO A 20 6.455 -2.546 4.127 1.00 90.28 C +HETATM 136 N HYP A 21 9.984 0.397 4.435 1.00 91.66 N +HETATM 137 CA HYP A 21 11.170 0.685 3.670 1.00 90.99 C +HETATM 138 C HYP A 21 11.890 -0.548 3.191 1.00 91.45 C +HETATM 139 O HYP A 21 11.905 -1.534 3.936 1.00 93.80 O +HETATM 140 CB HYP A 21 12.030 1.530 4.610 1.00 89.89 C +HETATM 141 CG HYP A 21 11.051 2.171 5.575 1.00 88.38 C +HETATM 142 CD HYP A 21 10.005 1.103 5.738 1.00 91.50 C +HETATM 143 OD1 HYP A 21 10.455 3.303 4.951 1.00 88.90 O +ATOM 144 N GLY A 22 12.384 -0.550 1.996 1.00 93.31 N +ATOM 145 CA GLY A 22 13.137 -1.650 1.478 1.00 92.39 C +ATOM 146 C GLY A 22 14.486 -1.757 2.178 1.00 92.14 C +ATOM 147 O GLY A 22 14.842 -0.906 2.996 1.00 92.09 O +ATOM 148 N PRO A 23 15.265 -2.776 1.872 1.00 94.93 N +ATOM 149 CA PRO A 23 16.580 -2.945 2.489 1.00 94.28 C +ATOM 150 C PRO A 23 17.563 -1.950 1.884 1.00 93.00 C +ATOM 151 O PRO A 23 18.162 -2.221 0.850 1.00 90.24 O +ATOM 152 CB PRO A 23 16.933 -4.387 2.162 1.00 91.91 C +ATOM 153 CG PRO A 23 16.222 -4.653 0.882 1.00 89.27 C +ATOM 154 CD PRO A 23 14.958 -3.836 0.931 1.00 93.06 C +HETATM 155 N HYP A 24 17.687 -0.785 2.372 1.00 94.69 N +HETATM 156 CA HYP A 24 18.206 0.458 1.672 1.00 90.40 C +HETATM 157 C HYP A 24 17.254 1.050 0.733 1.00 95.18 C +HETATM 158 O HYP A 24 17.683 1.037 -0.491 1.00 92.90 O +HETATM 159 CB HYP A 24 18.405 1.402 2.910 1.00 89.38 C +HETATM 160 CG HYP A 24 18.699 0.481 4.101 1.00 88.49 C +HETATM 161 CD HYP A 24 18.065 -0.841 3.735 1.00 92.19 C +HETATM 162 OD1 HYP A 24 20.083 0.292 4.207 1.00 90.50 O +HETATM 163 OXT HYP A 24 16.964 2.407 0.787 1.00 88.54 O +TER 164 HYP A 24 +END diff --git a/protein_pdb_558.txt b/protein_pdb_558.txt new file mode 100644 index 0000000000000000000000000000000000000000..d6e845b4d4d4ce72fd58fd1fdd99bda65de60570 --- /dev/null +++ b/protein_pdb_558.txt @@ -0,0 +1,193 @@ +ATOM 1 N GLY A 1 5.331 -15.914 -3.339 1.00 82.61 N +ATOM 2 CA GLY A 1 4.032 -15.556 -3.910 1.00 84.39 C +ATOM 3 C GLY A 1 3.969 -14.105 -4.260 1.00 85.24 C +ATOM 4 O GLY A 1 4.876 -13.340 -3.949 1.00 82.64 O +HETATM 5 N HYP A 2 2.849 -13.712 -4.852 1.00 77.01 N +HETATM 6 CA HYP A 2 2.658 -12.332 -5.280 1.00 82.25 C +HETATM 7 C HYP A 2 2.563 -11.404 -4.042 1.00 77.69 C +HETATM 8 O HYP A 2 2.075 -11.803 -2.917 1.00 83.55 O +HETATM 9 CB HYP A 2 1.227 -12.337 -5.893 1.00 78.66 C +HETATM 10 CG HYP A 2 1.002 -13.729 -6.326 1.00 74.72 C +HETATM 11 CD HYP A 2 1.743 -14.580 -5.306 1.00 77.05 C +HETATM 12 OD1 HYP A 2 1.575 -13.873 -7.581 1.00 80.13 O +ATOM 13 N THR A 3 3.213 -10.184 -4.227 1.00 90.74 N +ATOM 14 CA THR A 3 3.087 -9.182 -3.194 1.00 91.15 C +ATOM 15 C THR A 3 1.657 -8.683 -3.151 1.00 91.28 C +ATOM 16 O THR A 3 1.016 -8.503 -4.191 1.00 89.98 O +ATOM 17 CB THR A 3 4.020 -8.013 -3.473 1.00 88.85 C +ATOM 18 OG1 THR A 3 5.360 -8.507 -3.518 1.00 85.55 O +ATOM 19 CG2 THR A 3 3.920 -6.956 -2.394 1.00 85.32 C +ATOM 20 N GLY A 4 1.165 -8.458 -1.949 1.00 90.74 N +ATOM 21 CA GLY A 4 -0.188 -7.987 -1.774 1.00 90.42 C +ATOM 22 C GLY A 4 -0.406 -6.606 -2.317 1.00 91.19 C +ATOM 23 O GLY A 4 0.529 -5.855 -2.542 1.00 91.25 O +HETATM 24 N HYP A 5 -1.688 -6.285 -2.436 1.00 86.53 N +HETATM 25 CA HYP A 5 -2.052 -4.965 -2.970 1.00 89.65 C +HETATM 26 C HYP A 5 -1.679 -3.848 -1.962 1.00 88.86 C +HETATM 27 O HYP A 5 -1.515 -4.067 -0.706 1.00 88.14 O +HETATM 28 CB HYP A 5 -3.656 -5.075 -2.858 1.00 83.97 C +HETATM 29 CG HYP A 5 -3.984 -6.516 -2.812 1.00 83.33 C +HETATM 30 CD HYP A 5 -2.821 -7.153 -2.117 1.00 85.57 C +HETATM 31 OD1 HYP A 5 -4.051 -6.956 -4.122 1.00 81.84 O +ATOM 32 N THR A 6 -1.429 -2.645 -2.599 1.00 89.44 N +ATOM 33 CA THR A 6 -1.217 -1.468 -1.790 1.00 90.67 C +ATOM 34 C THR A 6 -2.475 -1.157 -1.003 1.00 91.56 C +ATOM 35 O THR A 6 -3.586 -1.301 -1.515 1.00 90.90 O +ATOM 36 CB THR A 6 -0.847 -0.271 -2.664 1.00 88.50 C +ATOM 37 OG1 THR A 6 0.303 -0.607 -3.437 1.00 86.71 O +ATOM 38 CG2 THR A 6 -0.544 0.956 -1.826 1.00 86.15 C +ATOM 39 N GLY A 7 -2.287 -0.738 0.235 1.00 90.94 N +ATOM 40 CA GLY A 7 -3.409 -0.410 1.086 1.00 90.73 C +ATOM 41 C GLY A 7 -4.181 0.786 0.610 1.00 90.65 C +ATOM 42 O GLY A 7 -3.701 1.586 -0.187 1.00 90.65 O +HETATM 43 N HYP A 8 -5.381 0.929 1.188 1.00 90.44 N +HETATM 44 CA HYP A 8 -6.251 2.016 0.801 1.00 90.97 C +HETATM 45 C HYP A 8 -5.660 3.383 1.273 1.00 89.35 C +HETATM 46 O HYP A 8 -4.812 3.482 2.228 1.00 88.21 O +HETATM 47 CB HYP A 8 -7.473 1.782 1.829 1.00 85.27 C +HETATM 48 CG HYP A 8 -7.391 0.371 2.287 1.00 82.74 C +HETATM 49 CD HYP A 8 -5.927 0.064 2.257 1.00 87.35 C +HETATM 50 OD1 HYP A 8 -8.048 -0.436 1.336 1.00 82.18 O +ATOM 51 N THR A 9 -6.034 4.422 0.469 1.00 91.34 N +ATOM 52 CA THR A 9 -5.669 5.761 0.864 1.00 90.96 C +ATOM 53 C THR A 9 -6.376 6.134 2.151 1.00 90.25 C +ATOM 54 O THR A 9 -7.538 5.776 2.360 1.00 88.58 O +ATOM 55 CB THR A 9 -6.046 6.762 -0.232 1.00 89.09 C +ATOM 56 OG1 THR A 9 -5.395 6.372 -1.440 1.00 87.12 O +ATOM 57 CG2 THR A 9 -5.615 8.174 0.131 1.00 85.97 C +ATOM 58 N GLY A 10 -5.674 6.823 3.004 1.00 91.12 N +ATOM 59 CA GLY A 10 -6.234 7.236 4.264 1.00 88.92 C +ATOM 60 C GLY A 10 -7.361 8.221 4.115 1.00 89.27 C +ATOM 61 O GLY A 10 -7.517 8.861 3.082 1.00 89.42 O +HETATM 62 N HYP A 11 -8.117 8.388 5.226 1.00 85.81 N +HETATM 63 CA HYP A 11 -9.242 9.252 5.206 1.00 89.47 C +HETATM 64 C HYP A 11 -8.825 10.742 5.104 1.00 87.87 C +HETATM 65 O HYP A 11 -7.648 11.119 5.450 1.00 86.38 O +HETATM 66 CB HYP A 11 -9.768 9.174 6.682 1.00 84.24 C +HETATM 67 CG HYP A 11 -9.234 7.894 7.229 1.00 82.45 C +HETATM 68 CD HYP A 11 -7.947 7.697 6.521 1.00 85.25 C +HETATM 69 OD1 HYP A 11 -10.113 6.861 6.886 1.00 81.25 O +ATOM 70 N THR A 12 -9.711 11.527 4.473 1.00 90.13 N +ATOM 71 CA THR A 12 -9.492 12.956 4.429 1.00 90.05 C +ATOM 72 C THR A 12 -9.611 13.546 5.819 1.00 90.08 C +ATOM 73 O THR A 12 -10.525 13.197 6.571 1.00 89.17 O +ATOM 74 CB THR A 12 -10.521 13.625 3.513 1.00 88.13 C +ATOM 75 OG1 THR A 12 -10.445 13.025 2.222 1.00 86.57 O +ATOM 76 CG2 THR A 12 -10.257 15.115 3.391 1.00 85.76 C +ATOM 77 N GLY A 13 -8.707 14.416 6.162 1.00 91.30 N +ATOM 78 CA GLY A 13 -8.762 15.081 7.445 1.00 90.14 C +ATOM 79 C GLY A 13 -9.908 16.043 7.519 1.00 90.26 C +ATOM 80 O GLY A 13 -10.442 16.473 6.504 1.00 90.03 O +HETATM 81 N HYP A 14 -10.319 16.416 8.777 1.00 85.21 N +HETATM 82 CA HYP A 14 -11.435 17.380 8.915 1.00 85.46 C +HETATM 83 C HYP A 14 -11.101 18.600 8.046 1.00 88.19 C +HETATM 84 O HYP A 14 -11.811 18.846 7.113 1.00 86.53 O +HETATM 85 CB HYP A 14 -11.365 17.756 10.391 1.00 83.82 C +HETATM 86 CG HYP A 14 -10.627 16.673 11.074 1.00 82.13 C +HETATM 87 CD HYP A 14 -9.734 16.130 10.042 1.00 83.02 C +HETATM 88 OD1 HYP A 14 -11.500 15.627 11.474 1.00 82.92 O +ATOM 89 N THR A 15 -10.266 19.345 8.341 1.00 90.50 N +ATOM 90 CA THR A 15 -9.867 20.515 7.575 1.00 91.07 C +ATOM 91 C THR A 15 -8.507 20.325 6.926 1.00 90.47 C +ATOM 92 O THR A 15 -7.944 21.272 6.383 1.00 88.95 O +ATOM 93 CB THR A 15 -9.822 21.764 8.459 1.00 89.44 C +ATOM 94 OG1 THR A 15 -8.875 21.588 9.501 1.00 86.19 O +ATOM 95 CG2 THR A 15 -11.182 22.066 9.069 1.00 85.02 C +ATOM 96 N GLY A 16 -7.990 19.119 6.976 1.00 91.13 N +ATOM 97 CA GLY A 16 -6.668 18.829 6.479 1.00 89.80 C +ATOM 98 C GLY A 16 -6.665 17.962 5.258 1.00 89.87 C +ATOM 99 O GLY A 16 -7.697 17.512 4.796 1.00 89.66 O +HETATM 100 N HYP A 17 -5.570 17.720 4.814 1.00 82.64 N +HETATM 101 CA HYP A 17 -5.263 16.935 3.615 1.00 84.27 C +HETATM 102 C HYP A 17 -5.705 15.423 3.820 1.00 85.75 C +HETATM 103 O HYP A 17 -5.912 14.898 4.969 1.00 83.92 O +HETATM 104 CB HYP A 17 -3.735 16.888 3.667 1.00 82.21 C +HETATM 105 CG HYP A 17 -3.346 18.107 4.354 1.00 80.53 C +HETATM 106 CD HYP A 17 -4.412 18.353 5.380 1.00 82.17 C +HETATM 107 OD1 HYP A 17 -3.294 19.149 3.444 1.00 81.82 O +ATOM 108 N THR A 18 -5.885 14.813 2.609 1.00 87.82 N +ATOM 109 CA THR A 18 -6.141 13.397 2.611 1.00 87.28 C +ATOM 110 C THR A 18 -4.962 12.661 3.219 1.00 86.89 C +ATOM 111 O THR A 18 -3.805 13.020 2.985 1.00 85.78 O +ATOM 112 CB THR A 18 -6.370 12.894 1.183 1.00 85.85 C +ATOM 113 OG1 THR A 18 -7.435 13.642 0.606 1.00 85.17 O +ATOM 114 CG2 THR A 18 -6.718 11.414 1.154 1.00 84.60 C +ATOM 115 N GLY A 19 -5.252 11.628 3.988 1.00 86.91 N +ATOM 116 CA GLY A 19 -4.210 10.832 4.598 1.00 85.13 C +ATOM 117 C GLY A 19 -3.365 10.103 3.588 1.00 86.99 C +ATOM 118 O GLY A 19 -3.753 9.933 2.439 1.00 87.93 O +HETATM 119 N HYP A 20 -2.260 9.646 4.073 1.00 82.60 N +HETATM 120 CA HYP A 20 -1.321 8.909 3.215 1.00 85.45 C +HETATM 121 C HYP A 20 -1.939 7.559 2.747 1.00 86.67 C +HETATM 122 O HYP A 20 -2.882 6.966 3.402 1.00 84.84 O +HETATM 123 CB HYP A 20 -0.211 8.507 4.268 1.00 82.89 C +HETATM 124 CG HYP A 20 -0.351 9.459 5.408 1.00 81.18 C +HETATM 125 CD HYP A 20 -1.813 9.789 5.465 1.00 81.99 C +HETATM 126 OD1 HYP A 20 0.371 10.630 5.130 1.00 81.11 O +ATOM 127 N THR A 21 -1.428 7.124 1.558 1.00 88.91 N +ATOM 128 CA THR A 21 -1.803 5.818 1.080 1.00 90.29 C +ATOM 129 C THR A 21 -1.264 4.758 2.019 1.00 90.87 C +ATOM 130 O THR A 21 -0.143 4.874 2.521 1.00 90.39 O +ATOM 131 CB THR A 21 -1.259 5.586 -0.334 1.00 88.80 C +ATOM 132 OG1 THR A 21 -1.761 6.612 -1.185 1.00 87.33 O +ATOM 133 CG2 THR A 21 -1.677 4.236 -0.878 1.00 86.91 C +ATOM 134 N GLY A 22 -2.068 3.741 2.251 1.00 89.50 N +ATOM 135 CA GLY A 22 -1.685 2.667 3.139 1.00 89.60 C +ATOM 136 C GLY A 22 -0.503 1.877 2.645 1.00 90.65 C +ATOM 137 O GLY A 22 -0.147 1.919 1.470 1.00 91.47 O +HETATM 138 N HYP A 23 0.062 1.119 3.564 1.00 88.51 N +HETATM 139 CA HYP A 23 1.234 0.300 3.241 1.00 89.56 C +HETATM 140 C HYP A 23 0.884 -0.829 2.230 1.00 89.98 C +HETATM 141 O HYP A 23 -0.301 -1.253 2.057 1.00 89.75 O +HETATM 142 CB HYP A 23 1.404 -0.467 4.639 1.00 85.96 C +HETATM 143 CG HYP A 23 0.714 0.352 5.695 1.00 82.99 C +HETATM 144 CD HYP A 23 -0.419 0.998 4.959 1.00 85.89 C +HETATM 145 OD1 HYP A 23 1.599 1.362 6.146 1.00 83.27 O +ATOM 146 N THR A 24 1.956 -1.195 1.471 1.00 90.70 N +ATOM 147 CA THR A 24 1.831 -2.325 0.587 1.00 91.79 C +ATOM 148 C THR A 24 1.579 -3.579 1.408 1.00 92.39 C +ATOM 149 O THR A 24 2.172 -3.765 2.469 1.00 91.73 O +ATOM 150 CB THR A 24 3.097 -2.495 -0.246 1.00 89.98 C +ATOM 151 OG1 THR A 24 3.343 -1.287 -0.951 1.00 87.85 O +ATOM 152 CG2 THR A 24 2.956 -3.638 -1.231 1.00 87.39 C +ATOM 153 N GLY A 25 0.718 -4.417 0.902 1.00 91.00 N +ATOM 154 CA GLY A 25 0.379 -5.643 1.579 1.00 90.62 C +ATOM 155 C GLY A 25 1.531 -6.614 1.649 1.00 91.26 C +ATOM 156 O GLY A 25 2.501 -6.505 0.915 1.00 91.43 O +HETATM 157 N HYP A 26 1.368 -7.595 2.517 1.00 89.83 N +HETATM 158 CA HYP A 26 2.381 -8.613 2.684 1.00 91.56 C +HETATM 159 C HYP A 26 2.543 -9.495 1.417 1.00 90.88 C +HETATM 160 O HYP A 26 1.656 -9.561 0.553 1.00 90.72 O +HETATM 161 CB HYP A 26 1.658 -9.559 3.731 1.00 86.88 C +HETATM 162 CG HYP A 26 0.675 -8.726 4.448 1.00 84.68 C +HETATM 163 CD HYP A 26 0.223 -7.749 3.439 1.00 87.73 C +HETATM 164 OD1 HYP A 26 1.315 -8.015 5.505 1.00 83.70 O +ATOM 165 N THR A 27 3.766 -10.030 1.288 1.00 90.33 N +ATOM 166 CA THR A 27 4.004 -10.981 0.231 1.00 90.77 C +ATOM 167 C THR A 27 3.243 -12.259 0.526 1.00 90.99 C +ATOM 168 O THR A 27 3.233 -12.733 1.662 1.00 89.90 O +ATOM 169 CB THR A 27 5.490 -11.279 0.106 1.00 88.57 C +ATOM 170 OG1 THR A 27 6.178 -10.055 -0.145 1.00 85.06 O +ATOM 171 CG2 THR A 27 5.761 -12.249 -1.025 1.00 85.24 C +ATOM 172 N GLY A 28 2.641 -12.820 -0.490 1.00 90.31 N +ATOM 173 CA GLY A 28 1.872 -14.034 -0.344 1.00 89.82 C +ATOM 174 C GLY A 28 2.724 -15.238 -0.074 1.00 89.35 C +ATOM 175 O GLY A 28 3.933 -15.207 -0.236 1.00 88.47 O +HETATM 176 N HYP A 29 2.058 -16.307 0.344 1.00 83.31 N +HETATM 177 CA HYP A 29 2.701 -17.550 0.555 1.00 85.16 C +HETATM 178 C HYP A 29 3.344 -18.151 -0.662 1.00 85.75 C +HETATM 179 O HYP A 29 2.904 -17.872 -1.800 1.00 87.47 O +HETATM 180 CB HYP A 29 1.511 -18.489 0.956 1.00 82.89 C +HETATM 181 CG HYP A 29 0.443 -17.580 1.452 1.00 79.29 C +HETATM 182 CD HYP A 29 0.613 -16.336 0.656 1.00 82.71 C +HETATM 183 OD1 HYP A 29 0.643 -17.250 2.828 1.00 81.50 O +ATOM 184 N THR A 30 4.481 -18.824 -0.446 1.00 86.26 N +ATOM 185 CA THR A 30 5.209 -19.388 -1.562 1.00 84.91 C +ATOM 186 C THR A 30 4.443 -20.527 -2.233 1.00 81.91 C +ATOM 187 O THR A 30 4.789 -20.887 -3.365 1.00 77.62 O +ATOM 188 CB THR A 30 6.576 -19.916 -1.120 1.00 77.28 C +ATOM 189 OG1 THR A 30 6.384 -20.894 -0.099 1.00 72.65 O +ATOM 190 CG2 THR A 30 7.427 -18.779 -0.565 1.00 73.34 C +ATOM 191 OXT THR A 30 3.481 -21.109 -1.638 1.00 71.44 O +TER 192 THR A 30 +END diff --git a/protein_pdb_559.txt b/protein_pdb_559.txt new file mode 100644 index 0000000000000000000000000000000000000000..53666e782a5e478ec3e805276b05ee64ebd0b807 --- /dev/null +++ b/protein_pdb_559.txt @@ -0,0 +1,163 @@ +ATOM 1 N GLY A 1 16.279 -2.413 -4.288 1.00 93.53 N +ATOM 2 CA GLY A 1 15.233 -1.922 -5.114 1.00 94.33 C +ATOM 3 C GLY A 1 14.217 -1.075 -4.375 1.00 95.04 C +ATOM 4 O GLY A 1 14.191 -1.049 -3.148 1.00 93.97 O +ATOM 5 N PRO A 2 13.394 -0.438 -5.098 1.00 94.63 N +ATOM 6 CA PRO A 2 12.371 0.404 -4.509 1.00 95.16 C +ATOM 7 C PRO A 2 11.219 -0.414 -3.961 1.00 95.01 C +ATOM 8 O PRO A 2 11.108 -1.604 -4.222 1.00 94.27 O +ATOM 9 CB PRO A 2 11.926 1.263 -5.686 1.00 93.44 C +ATOM 10 CG PRO A 2 12.116 0.358 -6.854 1.00 90.27 C +ATOM 11 CD PRO A 2 13.364 -0.427 -6.552 1.00 92.78 C +HETATM 12 N HYP A 3 10.396 0.265 -3.212 1.00 93.96 N +HETATM 13 CA HYP A 3 9.204 -0.409 -2.710 1.00 92.35 C +HETATM 14 C HYP A 3 8.326 -0.889 -3.822 1.00 94.19 C +HETATM 15 O HYP A 3 8.308 -0.258 -4.901 1.00 95.24 O +HETATM 16 CB HYP A 3 8.522 0.690 -1.887 1.00 91.91 C +HETATM 17 CG HYP A 3 9.665 1.605 -1.465 1.00 89.82 C +HETATM 18 CD HYP A 3 10.580 1.579 -2.705 1.00 92.09 C +HETATM 19 OD1 HYP A 3 10.314 0.997 -0.388 1.00 91.95 O +ATOM 20 N GLY A 4 7.652 -1.972 -3.602 1.00 95.93 N +ATOM 21 CA GLY A 4 6.730 -2.483 -4.577 1.00 95.57 C +ATOM 22 C GLY A 4 5.521 -1.573 -4.713 1.00 95.71 C +ATOM 23 O GLY A 4 5.339 -0.633 -3.944 1.00 96.09 O +ATOM 24 N PRO A 5 4.679 -1.847 -5.692 1.00 95.80 N +ATOM 25 CA PRO A 5 3.491 -1.029 -5.893 1.00 95.69 C +ATOM 26 C PRO A 5 2.467 -1.246 -4.793 1.00 95.50 C +ATOM 27 O PRO A 5 2.519 -2.243 -4.073 1.00 94.76 O +ATOM 28 CB PRO A 5 2.962 -1.509 -7.241 1.00 94.64 C +ATOM 29 CG PRO A 5 3.415 -2.923 -7.304 1.00 92.80 C +ATOM 30 CD PRO A 5 4.760 -2.947 -6.635 1.00 95.02 C +HETATM 31 N HYP A 6 1.570 -0.266 -4.665 1.00 94.55 N +HETATM 32 CA HYP A 6 0.484 -0.453 -3.745 1.00 95.08 C +HETATM 33 C HYP A 6 -0.326 -1.669 -4.038 1.00 95.37 C +HETATM 34 O HYP A 6 -0.430 -2.085 -5.218 1.00 94.44 O +HETATM 35 CB HYP A 6 -0.354 0.832 -3.965 1.00 92.77 C +HETATM 36 CG HYP A 6 0.654 1.842 -4.428 1.00 91.94 C +HETATM 37 CD HYP A 6 1.540 1.006 -5.302 1.00 93.61 C +HETATM 38 OD1 HYP A 6 1.378 2.330 -3.339 1.00 92.21 O +ATOM 39 N GLY A 7 -0.833 -2.272 -3.018 1.00 94.92 N +ATOM 40 CA GLY A 7 -1.668 -3.424 -3.189 1.00 94.66 C +ATOM 41 C GLY A 7 -2.961 -3.062 -3.884 1.00 94.81 C +ATOM 42 O GLY A 7 -3.280 -1.892 -4.087 1.00 94.95 O +ATOM 43 N PRO A 8 -3.727 -4.067 -4.258 1.00 95.74 N +ATOM 44 CA PRO A 8 -4.999 -3.815 -4.924 1.00 95.75 C +ATOM 45 C PRO A 8 -5.971 -3.094 -4.012 1.00 95.52 C +ATOM 46 O PRO A 8 -5.896 -3.199 -2.793 1.00 95.13 O +ATOM 47 CB PRO A 8 -5.526 -5.212 -5.252 1.00 94.80 C +ATOM 48 CG PRO A 8 -4.378 -6.120 -5.085 1.00 93.56 C +ATOM 49 CD PRO A 8 -3.466 -5.487 -4.083 1.00 95.11 C +HETATM 50 N HYP A 9 -6.915 -2.358 -4.623 1.00 94.27 N +HETATM 51 CA HYP A 9 -7.932 -1.747 -3.862 1.00 94.38 C +HETATM 52 C HYP A 9 -8.786 -2.788 -3.199 1.00 94.77 C +HETATM 53 O HYP A 9 -9.014 -3.866 -3.737 1.00 95.14 O +HETATM 54 CB HYP A 9 -8.803 -1.023 -4.920 1.00 92.29 C +HETATM 55 CG HYP A 9 -7.899 -0.780 -6.042 1.00 92.30 C +HETATM 56 CD HYP A 9 -6.986 -1.942 -6.045 1.00 94.12 C +HETATM 57 OD1 HYP A 9 -7.160 0.398 -5.764 1.00 92.63 O +ATOM 58 N GLY A 10 -9.257 -2.540 -2.015 1.00 94.89 N +ATOM 59 CA GLY A 10 -10.282 -3.356 -1.434 1.00 93.37 C +ATOM 60 C GLY A 10 -11.565 -3.161 -2.215 1.00 93.73 C +ATOM 61 O GLY A 10 -11.634 -2.350 -3.139 1.00 93.11 O +ATOM 62 N GLN A 11 -12.603 -3.894 -1.843 1.00 95.42 N +ATOM 63 CA GLN A 11 -13.865 -3.768 -2.551 1.00 95.46 C +ATOM 64 C GLN A 11 -14.306 -2.308 -2.618 1.00 95.54 C +ATOM 65 O GLN A 11 -14.735 -1.822 -3.669 1.00 94.21 O +ATOM 66 CB GLN A 11 -14.917 -4.616 -1.858 1.00 94.08 C +ATOM 67 CG GLN A 11 -16.252 -4.599 -2.569 1.00 89.72 C +ATOM 68 CD GLN A 11 -17.235 -5.573 -1.969 1.00 84.76 C +ATOM 69 OE1 GLN A 11 -16.947 -6.237 -0.976 1.00 79.23 O +ATOM 70 NE2 GLN A 11 -18.405 -5.671 -2.564 1.00 77.24 N +ATOM 71 N TRP A 12 -14.150 -1.613 -1.495 1.00 94.50 N +ATOM 72 CA TRP A 12 -14.439 -0.179 -1.428 1.00 94.82 C +ATOM 73 C TRP A 12 -13.328 0.564 -0.711 1.00 94.68 C +ATOM 74 O TRP A 12 -13.469 1.743 -0.404 1.00 92.51 O +ATOM 75 CB TRP A 12 -15.764 0.053 -0.703 1.00 94.60 C +ATOM 76 CG TRP A 12 -16.892 -0.728 -1.299 1.00 91.19 C +ATOM 77 CD1 TRP A 12 -17.495 -1.817 -0.762 1.00 90.40 C +ATOM 78 CD2 TRP A 12 -17.528 -0.490 -2.557 1.00 90.59 C +ATOM 79 NE1 TRP A 12 -18.469 -2.289 -1.609 1.00 85.10 N +ATOM 80 CE2 TRP A 12 -18.507 -1.488 -2.723 1.00 88.80 C +ATOM 81 CE3 TRP A 12 -17.360 0.464 -3.562 1.00 86.52 C +ATOM 82 CZ2 TRP A 12 -19.325 -1.548 -3.851 1.00 90.18 C +ATOM 83 CZ3 TRP A 12 -18.167 0.402 -4.678 1.00 83.54 C +ATOM 84 CH2 TRP A 12 -19.135 -0.593 -4.817 1.00 81.97 C +ATOM 85 N GLY A 13 -12.270 -0.128 -0.432 1.00 95.90 N +ATOM 86 CA GLY A 13 -11.210 0.402 0.389 1.00 95.50 C +ATOM 87 C GLY A 13 -10.039 0.931 -0.401 1.00 96.04 C +ATOM 88 O GLY A 13 -9.978 0.803 -1.625 1.00 95.78 O +ATOM 89 N PRO A 14 -9.103 1.526 0.303 1.00 96.51 N +ATOM 90 CA PRO A 14 -7.922 2.091 -0.329 1.00 96.57 C +ATOM 91 C PRO A 14 -6.982 1.001 -0.804 1.00 96.61 C +ATOM 92 O PRO A 14 -7.105 -0.162 -0.432 1.00 96.31 O +ATOM 93 CB PRO A 14 -7.285 2.916 0.788 1.00 95.71 C +ATOM 94 CG PRO A 14 -7.675 2.185 2.023 1.00 94.52 C +ATOM 95 CD PRO A 14 -9.065 1.676 1.758 1.00 95.78 C +HETATM 96 N HYP A 15 -6.054 1.423 -1.624 1.00 95.88 N +HETATM 97 CA HYP A 15 -5.010 0.513 -2.011 1.00 95.95 C +HETATM 98 C HYP A 15 -4.233 0.011 -0.851 1.00 96.86 C +HETATM 99 O HYP A 15 -4.146 0.694 0.189 1.00 95.61 O +HETATM 100 CB HYP A 15 -4.164 1.403 -2.946 1.00 94.28 C +HETATM 101 CG HYP A 15 -5.159 2.400 -3.495 1.00 92.19 C +HETATM 102 CD HYP A 15 -6.040 2.689 -2.309 1.00 94.34 C +HETATM 103 OD1 HYP A 15 -5.887 1.808 -4.531 1.00 92.71 O +ATOM 104 N GLY A 16 -3.690 -1.168 -0.971 1.00 96.93 N +ATOM 105 CA GLY A 16 -2.849 -1.701 0.052 1.00 96.69 C +ATOM 106 C GLY A 16 -1.556 -0.918 0.154 1.00 96.82 C +ATOM 107 O GLY A 16 -1.279 -0.045 -0.663 1.00 96.69 O +ATOM 108 N PRO A 17 -0.771 -1.230 1.160 1.00 96.01 N +ATOM 109 CA PRO A 17 0.493 -0.530 1.330 1.00 95.95 C +ATOM 110 C PRO A 17 1.489 -0.919 0.249 1.00 96.21 C +ATOM 111 O PRO A 17 1.329 -1.931 -0.419 1.00 95.78 O +ATOM 112 CB PRO A 17 0.959 -0.982 2.713 1.00 94.66 C +ATOM 113 CG PRO A 17 0.349 -2.324 2.872 1.00 92.85 C +ATOM 114 CD PRO A 17 -0.981 -2.245 2.184 1.00 94.84 C +HETATM 115 N HYP A 18 2.512 -0.058 0.081 1.00 93.16 N +HETATM 116 CA HYP A 18 3.541 -0.410 -0.802 1.00 94.18 C +HETATM 117 C HYP A 18 4.203 -1.701 -0.447 1.00 95.17 C +HETATM 118 O HYP A 18 4.260 -2.071 0.743 1.00 94.52 O +HETATM 119 CB HYP A 18 4.520 0.772 -0.680 1.00 91.55 C +HETATM 120 CG HYP A 18 3.640 1.922 -0.256 1.00 91.10 C +HETATM 121 CD HYP A 18 2.652 1.248 0.659 1.00 93.49 C +HETATM 122 OD1 HYP A 18 2.977 2.443 -1.388 1.00 90.43 O +ATOM 123 N GLY A 19 4.660 -2.401 -1.427 1.00 94.63 N +ATOM 124 CA GLY A 19 5.386 -3.620 -1.191 1.00 94.68 C +ATOM 125 C GLY A 19 6.714 -3.338 -0.518 1.00 94.81 C +ATOM 126 O GLY A 19 7.132 -2.189 -0.393 1.00 95.55 O +ATOM 127 N PRO A 20 7.369 -4.380 -0.077 1.00 93.73 N +ATOM 128 CA PRO A 20 8.659 -4.203 0.569 1.00 93.98 C +ATOM 129 C PRO A 20 9.721 -3.762 -0.419 1.00 93.64 C +ATOM 130 O PRO A 20 9.569 -3.928 -1.624 1.00 94.02 O +ATOM 131 CB PRO A 20 8.957 -5.586 1.134 1.00 92.75 C +ATOM 132 CG PRO A 20 8.226 -6.506 0.222 1.00 89.91 C +ATOM 133 CD PRO A 20 6.981 -5.774 -0.175 1.00 92.22 C +HETATM 134 N HYP A 21 10.781 -3.175 0.125 1.00 92.37 N +HETATM 135 CA HYP A 21 11.883 -2.829 -0.708 1.00 92.29 C +HETATM 136 C HYP A 21 12.463 -3.994 -1.427 1.00 92.59 C +HETATM 137 O HYP A 21 12.484 -5.106 -0.877 1.00 94.84 O +HETATM 138 CB HYP A 21 12.905 -2.198 0.236 1.00 90.28 C +HETATM 139 CG HYP A 21 12.093 -1.698 1.392 1.00 89.19 C +HETATM 140 CD HYP A 21 10.984 -2.722 1.508 1.00 91.78 C +HETATM 141 OD1 HYP A 21 11.536 -0.440 1.024 1.00 90.67 O +ATOM 142 N GLY A 22 12.843 -3.805 -2.655 1.00 93.73 N +ATOM 143 CA GLY A 22 13.510 -4.833 -3.396 1.00 92.29 C +ATOM 144 C GLY A 22 14.910 -5.047 -2.844 1.00 91.70 C +ATOM 145 O GLY A 22 15.369 -4.307 -1.977 1.00 91.84 O +ATOM 146 N PRO A 23 15.616 -6.046 -3.337 1.00 94.42 N +ATOM 147 CA PRO A 23 16.966 -6.312 -2.863 1.00 93.98 C +ATOM 148 C PRO A 23 17.930 -5.283 -3.438 1.00 92.22 C +ATOM 149 O PRO A 23 18.314 -5.373 -4.599 1.00 89.20 O +ATOM 150 CB PRO A 23 17.248 -7.715 -3.381 1.00 91.90 C +ATOM 151 CG PRO A 23 16.405 -7.822 -4.602 1.00 89.50 C +ATOM 152 CD PRO A 23 15.172 -6.990 -4.342 1.00 93.37 C +HETATM 153 N HYP A 24 18.200 -4.272 -2.793 1.00 95.98 N +HETATM 154 CA HYP A 24 18.637 -2.916 -3.290 1.00 90.50 C +HETATM 155 C HYP A 24 17.702 -2.082 -3.923 1.00 95.46 C +HETATM 156 O HYP A 24 18.100 -1.478 -5.027 1.00 93.90 O +HETATM 157 CB HYP A 24 19.363 -2.348 -2.062 1.00 91.37 C +HETATM 158 CG HYP A 24 19.974 -3.575 -1.438 1.00 91.18 C +HETATM 159 CD HYP A 24 18.954 -4.691 -1.691 1.00 93.32 C +HETATM 160 OD1 HYP A 24 20.268 -3.392 -0.085 1.00 91.52 O +HETATM 161 OXT HYP A 24 17.225 -0.947 -3.313 1.00 89.32 O +TER 162 HYP A 24 +END diff --git a/protein_pdb_56.txt b/protein_pdb_56.txt new file mode 100644 index 0000000000000000000000000000000000000000..c84df5286ca8e3914a9ea7f618b6f79d8241e5ee --- /dev/null +++ b/protein_pdb_56.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -18.371 29.581 4.379 1.00 85.04 N +ATOM 2 CA GLY A 1 -16.948 29.508 4.688 1.00 89.11 C +ATOM 3 C GLY A 1 -16.148 28.968 3.526 1.00 89.90 C +ATOM 4 O GLY A 1 -16.722 28.471 2.554 1.00 87.40 O +ATOM 5 N PRO A 2 -14.834 29.052 3.601 1.00 89.44 N +ATOM 6 CA PRO A 2 -13.992 28.538 2.520 1.00 92.45 C +ATOM 7 C PRO A 2 -14.038 27.017 2.449 1.00 92.43 C +ATOM 8 O PRO A 2 -14.430 26.349 3.403 1.00 91.64 O +ATOM 9 CB PRO A 2 -12.590 29.034 2.894 1.00 90.22 C +ATOM 10 CG PRO A 2 -12.631 29.145 4.372 1.00 86.13 C +ATOM 11 CD PRO A 2 -14.032 29.591 4.704 1.00 88.05 C +HETATM 12 N HYP A 3 -13.686 26.542 1.347 1.00 91.25 N +HETATM 13 CA HYP A 3 -13.558 25.042 1.138 1.00 89.48 C +HETATM 14 C HYP A 3 -12.615 24.424 2.138 1.00 89.98 C +HETATM 15 O HYP A 3 -11.591 25.032 2.542 1.00 91.41 O +HETATM 16 CB HYP A 3 -13.022 24.980 -0.288 1.00 90.81 C +HETATM 17 CG HYP A 3 -13.513 26.244 -0.960 1.00 89.55 C +HETATM 18 CD HYP A 3 -13.366 27.309 0.169 1.00 91.22 C +HETATM 19 OD1 HYP A 3 -14.856 26.173 -1.329 1.00 91.45 O +ATOM 20 N GLY A 4 -12.951 23.185 2.566 1.00 93.41 N +ATOM 21 CA GLY A 4 -12.118 22.466 3.499 1.00 92.87 C +ATOM 22 C GLY A 4 -10.805 22.028 2.864 1.00 92.60 C +ATOM 23 O GLY A 4 -10.624 22.113 1.649 1.00 92.28 O +ATOM 24 N PRO A 5 -9.873 21.547 3.696 1.00 92.54 N +ATOM 25 CA PRO A 5 -8.583 21.090 3.181 1.00 92.69 C +ATOM 26 C PRO A 5 -8.729 19.779 2.414 1.00 92.50 C +ATOM 27 O PRO A 5 -9.719 19.067 2.560 1.00 91.78 O +ATOM 28 CB PRO A 5 -7.742 20.911 4.440 1.00 90.64 C +ATOM 29 CG PRO A 5 -8.745 20.572 5.483 1.00 88.06 C +ATOM 30 CD PRO A 5 -9.972 21.380 5.141 1.00 90.50 C +HETATM 31 N HYP A 6 -7.766 19.499 1.591 1.00 90.66 N +HETATM 32 CA HYP A 6 -7.704 18.155 0.920 1.00 93.05 C +HETATM 33 C HYP A 6 -7.744 17.028 1.895 1.00 90.65 C +HETATM 34 O HYP A 6 -7.239 17.135 3.031 1.00 90.69 O +HETATM 35 CB HYP A 6 -6.345 18.265 0.179 1.00 89.50 C +HETATM 36 CG HYP A 6 -6.176 19.747 -0.083 1.00 86.84 C +HETATM 37 CD HYP A 6 -6.722 20.386 1.196 1.00 89.57 C +HETATM 38 OD1 HYP A 6 -6.923 20.165 -1.188 1.00 88.58 O +ATOM 39 N GLY A 7 -8.368 15.896 1.478 1.00 94.63 N +ATOM 40 CA GLY A 7 -8.454 14.709 2.299 1.00 93.95 C +ATOM 41 C GLY A 7 -7.100 14.070 2.534 1.00 94.04 C +ATOM 42 O GLY A 7 -6.103 14.442 1.908 1.00 93.30 O +ATOM 43 N PRO A 8 -7.049 13.086 3.434 1.00 92.20 N +ATOM 44 CA PRO A 8 -5.795 12.397 3.725 1.00 92.35 C +ATOM 45 C PRO A 8 -5.382 11.491 2.570 1.00 92.32 C +ATOM 46 O PRO A 8 -6.185 11.153 1.712 1.00 90.93 O +ATOM 47 CB PRO A 8 -6.107 11.597 4.985 1.00 90.52 C +ATOM 48 CG PRO A 8 -7.561 11.322 4.869 1.00 90.03 C +ATOM 49 CD PRO A 8 -8.153 12.559 4.225 1.00 91.51 C +HETATM 50 N HYP A 9 -4.156 11.080 2.540 1.00 91.29 N +HETATM 51 CA HYP A 9 -3.636 10.118 1.557 1.00 93.45 C +HETATM 52 C HYP A 9 -4.353 8.793 1.626 1.00 92.78 C +HETATM 53 O HYP A 9 -4.809 8.360 2.727 1.00 91.45 O +HETATM 54 CB HYP A 9 -2.148 9.942 2.069 1.00 91.46 C +HETATM 55 CG HYP A 9 -1.825 11.226 2.749 1.00 89.52 C +HETATM 56 CD HYP A 9 -3.143 11.585 3.433 1.00 91.55 C +HETATM 57 OD1 HYP A 9 -1.495 12.237 1.814 1.00 88.89 O +ATOM 58 N GLY A 10 -4.475 8.124 0.485 1.00 93.65 N +ATOM 59 CA GLY A 10 -5.076 6.817 0.428 1.00 92.79 C +ATOM 60 C GLY A 10 -4.252 5.776 1.162 1.00 93.14 C +ATOM 61 O GLY A 10 -3.111 6.021 1.564 1.00 91.80 O +ATOM 62 N GLN A 11 -4.846 4.587 1.333 1.00 92.12 N +ATOM 63 CA GLN A 11 -4.170 3.487 2.001 1.00 92.16 C +ATOM 64 C GLN A 11 -2.986 2.999 1.187 1.00 91.91 C +ATOM 65 O GLN A 11 -2.959 3.134 -0.029 1.00 89.84 O +ATOM 66 CB GLN A 11 -5.130 2.332 2.216 1.00 89.58 C +ATOM 67 CG GLN A 11 -6.213 2.639 3.231 1.00 84.25 C +ATOM 68 CD GLN A 11 -7.038 1.418 3.552 1.00 81.35 C +ATOM 69 OE1 GLN A 11 -7.137 0.494 2.751 1.00 76.49 O +ATOM 70 NE2 GLN A 11 -7.639 1.398 4.733 1.00 74.38 N +HETATM 71 N HYP A 12 -2.010 2.390 1.860 1.00 92.32 N +HETATM 72 CA HYP A 12 -0.882 1.766 1.152 1.00 92.33 C +HETATM 73 C HYP A 12 -1.355 0.617 0.264 1.00 93.92 C +HETATM 74 O HYP A 12 -2.397 -0.023 0.550 1.00 92.35 O +HETATM 75 CB HYP A 12 -0.081 1.142 2.372 1.00 91.04 C +HETATM 76 CG HYP A 12 -0.372 2.056 3.503 1.00 87.70 C +HETATM 77 CD HYP A 12 -1.815 2.396 3.295 1.00 92.36 C +HETATM 78 OD1 HYP A 12 0.397 3.234 3.427 1.00 89.86 O +ATOM 79 N GLY A 13 -0.627 0.386 -0.795 1.00 95.21 N +ATOM 80 CA GLY A 13 -0.937 -0.698 -1.691 1.00 94.48 C +ATOM 81 C GLY A 13 -0.706 -2.053 -1.037 1.00 94.83 C +ATOM 82 O GLY A 13 -0.166 -2.142 0.069 1.00 94.57 O +ATOM 83 N PRO A 14 -1.108 -3.134 -1.721 1.00 93.90 N +ATOM 84 CA PRO A 14 -0.921 -4.472 -1.178 1.00 94.26 C +ATOM 85 C PRO A 14 0.545 -4.888 -1.198 1.00 94.31 C +ATOM 86 O PRO A 14 1.352 -4.301 -1.908 1.00 93.62 O +ATOM 87 CB PRO A 14 -1.765 -5.348 -2.102 1.00 93.02 C +ATOM 88 CG PRO A 14 -1.759 -4.617 -3.398 1.00 91.46 C +ATOM 89 CD PRO A 14 -1.762 -3.164 -3.027 1.00 92.61 C +HETATM 90 N HYP A 15 0.901 -5.920 -0.435 1.00 89.67 N +HETATM 91 CA HYP A 15 2.238 -6.467 -0.432 1.00 93.37 C +HETATM 92 C HYP A 15 2.686 -6.984 -1.812 1.00 93.28 C +HETATM 93 O HYP A 15 1.861 -7.456 -2.609 1.00 92.36 O +HETATM 94 CB HYP A 15 2.078 -7.710 0.533 1.00 89.73 C +HETATM 95 CG HYP A 15 0.984 -7.265 1.445 1.00 86.00 C +HETATM 96 CD HYP A 15 0.033 -6.524 0.527 1.00 90.27 C +HETATM 97 OD1 HYP A 15 1.444 -6.383 2.439 1.00 91.34 O +ATOM 98 N GLY A 16 3.946 -6.819 -2.096 1.00 95.44 N +ATOM 99 CA GLY A 16 4.496 -7.318 -3.328 1.00 94.87 C +ATOM 100 C GLY A 16 4.515 -8.840 -3.354 1.00 95.31 C +ATOM 101 O GLY A 16 4.218 -9.494 -2.349 1.00 95.23 O +ATOM 102 N PRO A 17 4.866 -9.412 -4.506 1.00 93.23 N +ATOM 103 CA PRO A 17 4.912 -10.870 -4.622 1.00 93.45 C +ATOM 104 C PRO A 17 6.078 -11.454 -3.835 1.00 93.52 C +ATOM 105 O PRO A 17 7.023 -10.757 -3.491 1.00 92.65 O +ATOM 106 CB PRO A 17 5.079 -11.093 -6.126 1.00 91.97 C +ATOM 107 CG PRO A 17 5.780 -9.870 -6.594 1.00 89.89 C +ATOM 108 CD PRO A 17 5.237 -8.749 -5.751 1.00 91.72 C +HETATM 109 N HYP A 18 6.044 -12.738 -3.552 1.00 90.37 N +HETATM 110 CA HYP A 18 7.126 -13.448 -2.925 1.00 92.95 C +HETATM 111 C HYP A 18 8.441 -13.359 -3.697 1.00 90.76 C +HETATM 112 O HYP A 18 8.451 -13.275 -4.934 1.00 92.79 O +HETATM 113 CB HYP A 18 6.610 -14.904 -2.893 1.00 90.98 C +HETATM 114 CG HYP A 18 5.127 -14.743 -2.851 1.00 86.91 C +HETATM 115 CD HYP A 18 4.882 -13.543 -3.741 1.00 89.82 C +HETATM 116 OD1 HYP A 18 4.645 -14.464 -1.559 1.00 91.59 O +ATOM 117 N GLY A 19 9.555 -13.314 -2.983 1.00 94.33 N +ATOM 118 CA GLY A 19 10.859 -13.269 -3.588 1.00 93.78 C +ATOM 119 C GLY A 19 11.179 -14.560 -4.329 1.00 94.10 C +ATOM 120 O GLY A 19 10.429 -15.534 -4.259 1.00 93.90 O +ATOM 121 N PRO A 20 12.310 -14.582 -5.023 1.00 90.23 N +ATOM 122 CA PRO A 20 12.690 -15.774 -5.774 1.00 90.16 C +ATOM 123 C PRO A 20 13.091 -16.912 -4.850 1.00 89.91 C +ATOM 124 O PRO A 20 13.410 -16.702 -3.687 1.00 89.25 O +ATOM 125 CB PRO A 20 13.864 -15.290 -6.628 1.00 86.95 C +ATOM 126 CG PRO A 20 14.445 -14.176 -5.833 1.00 82.66 C +ATOM 127 CD PRO A 20 13.277 -13.500 -5.169 1.00 85.60 C +HETATM 128 N HYP A 21 13.105 -18.134 -5.328 1.00 93.35 N +HETATM 129 CA HYP A 21 13.529 -19.299 -4.633 1.00 92.76 C +HETATM 130 C HYP A 21 14.976 -19.237 -4.107 1.00 93.87 C +HETATM 131 O HYP A 21 15.802 -18.574 -4.755 1.00 92.65 O +HETATM 132 CB HYP A 21 13.409 -20.442 -5.661 1.00 92.56 C +HETATM 133 CG HYP A 21 12.345 -19.968 -6.588 1.00 91.28 C +HETATM 134 CD HYP A 21 12.579 -18.466 -6.642 1.00 93.12 C +HETATM 135 OD1 HYP A 21 11.062 -20.221 -6.067 1.00 90.52 O +ATOM 136 N GLY A 22 15.258 -19.796 -3.004 1.00 90.10 N +ATOM 137 CA GLY A 22 16.592 -19.854 -2.477 1.00 88.89 C +ATOM 138 C GLY A 22 17.510 -20.688 -3.363 1.00 88.62 C +ATOM 139 O GLY A 22 17.068 -21.280 -4.353 1.00 87.73 O +ATOM 140 N PRO A 23 18.807 -20.773 -3.006 1.00 89.01 N +ATOM 141 CA PRO A 23 19.745 -21.533 -3.825 1.00 89.49 C +ATOM 142 C PRO A 23 19.481 -23.031 -3.732 1.00 88.82 C +ATOM 143 O PRO A 23 18.910 -23.507 -2.756 1.00 85.81 O +ATOM 144 CB PRO A 23 21.110 -21.162 -3.241 1.00 85.17 C +ATOM 145 CG PRO A 23 20.804 -20.835 -1.826 1.00 81.00 C +ATOM 146 CD PRO A 23 19.451 -20.174 -1.840 1.00 84.13 C +HETATM 147 N HYP A 24 19.936 -23.795 -4.667 1.00 91.56 N +HETATM 148 CA HYP A 24 19.739 -25.236 -4.626 1.00 89.43 C +HETATM 149 C HYP A 24 20.491 -25.874 -3.445 1.00 91.19 C +HETATM 150 O HYP A 24 21.480 -25.265 -3.011 1.00 89.33 O +HETATM 151 CB HYP A 24 20.475 -25.718 -5.949 1.00 91.26 C +HETATM 152 CG HYP A 24 20.558 -24.532 -6.829 1.00 90.34 C +HETATM 153 CD HYP A 24 20.613 -23.348 -5.870 1.00 90.77 C +HETATM 154 OD1 HYP A 24 19.374 -24.425 -7.580 1.00 88.24 O +HETATM 155 OXT HYP A 24 20.087 -26.976 -3.029 1.00 85.28 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_560.txt b/protein_pdb_560.txt new file mode 100644 index 0000000000000000000000000000000000000000..baeab4bae35a1d0a1356f50fc7156d7de9c69607 --- /dev/null +++ b/protein_pdb_560.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -6.722 15.009 0.809 1.00 95.24 N +ATOM 2 CA GLY A 1 -7.383 13.790 0.440 1.00 95.50 C +ATOM 3 C GLY A 1 -7.185 12.694 1.464 1.00 95.80 C +ATOM 4 O GLY A 1 -6.297 12.781 2.307 1.00 94.61 O +ATOM 5 N PRO A 2 -7.946 11.645 1.374 1.00 95.51 N +ATOM 6 CA PRO A 2 -7.844 10.548 2.319 1.00 95.47 C +ATOM 7 C PRO A 2 -6.677 9.634 2.001 1.00 95.41 C +ATOM 8 O PRO A 2 -6.120 9.666 0.902 1.00 94.69 O +ATOM 9 CB PRO A 2 -9.181 9.829 2.144 1.00 93.66 C +ATOM 10 CG PRO A 2 -9.551 10.098 0.736 1.00 91.19 C +ATOM 11 CD PRO A 2 -9.062 11.486 0.446 1.00 93.97 C +HETATM 12 N HYP A 3 -6.315 8.825 2.998 1.00 94.77 N +HETATM 13 CA HYP A 3 -5.271 7.837 2.784 1.00 93.75 C +HETATM 14 C HYP A 3 -5.663 6.824 1.709 1.00 95.77 C +HETATM 15 O HYP A 3 -6.861 6.544 1.532 1.00 95.21 O +HETATM 16 CB HYP A 3 -5.265 7.089 4.173 1.00 93.46 C +HETATM 17 CG HYP A 3 -5.723 8.116 5.151 1.00 89.73 C +HETATM 18 CD HYP A 3 -6.780 8.879 4.353 1.00 92.62 C +HETATM 19 OD1 HYP A 3 -4.650 8.949 5.474 1.00 91.90 O +ATOM 20 N GLY A 4 -4.679 6.341 0.994 1.00 94.84 N +ATOM 21 CA GLY A 4 -4.913 5.325 0.000 1.00 94.45 C +ATOM 22 C GLY A 4 -5.258 3.993 0.635 1.00 94.92 C +ATOM 23 O GLY A 4 -5.164 3.817 1.852 1.00 95.55 O +ATOM 24 N PRO A 5 -5.670 3.027 -0.183 1.00 94.51 N +ATOM 25 CA PRO A 5 -6.031 1.714 0.335 1.00 94.37 C +ATOM 26 C PRO A 5 -4.807 0.940 0.787 1.00 94.20 C +ATOM 27 O PRO A 5 -3.678 1.257 0.419 1.00 93.76 O +ATOM 28 CB PRO A 5 -6.707 1.043 -0.858 1.00 93.43 C +ATOM 29 CG PRO A 5 -6.077 1.687 -2.035 1.00 91.71 C +ATOM 30 CD PRO A 5 -5.804 3.110 -1.630 1.00 93.94 C +HETATM 31 N HYP A 6 -5.078 -0.089 1.627 1.00 94.57 N +HETATM 32 CA HYP A 6 -3.990 -0.958 2.020 1.00 95.95 C +HETATM 33 C HYP A 6 -3.331 -1.614 0.840 1.00 95.39 C +HETATM 34 O HYP A 6 -3.979 -1.880 -0.180 1.00 94.98 O +HETATM 35 CB HYP A 6 -4.747 -2.053 2.870 1.00 92.98 C +HETATM 36 CG HYP A 6 -5.938 -1.334 3.400 1.00 92.27 C +HETATM 37 CD HYP A 6 -6.330 -0.433 2.235 1.00 93.70 C +HETATM 38 OD1 HYP A 6 -5.551 -0.555 4.500 1.00 91.97 O +ATOM 39 N GLY A 7 -2.040 -1.838 0.947 1.00 95.31 N +ATOM 40 CA GLY A 7 -1.305 -2.522 -0.077 1.00 95.16 C +ATOM 41 C GLY A 7 -1.702 -3.977 -0.162 1.00 95.60 C +ATOM 42 O GLY A 7 -2.387 -4.510 0.710 1.00 95.67 O +ATOM 43 N PRO A 8 -1.277 -4.648 -1.216 1.00 95.80 N +ATOM 44 CA PRO A 8 -1.610 -6.054 -1.374 1.00 95.86 C +ATOM 45 C PRO A 8 -0.865 -6.929 -0.384 1.00 95.71 C +ATOM 46 O PRO A 8 0.170 -6.548 0.150 1.00 95.20 O +ATOM 47 CB PRO A 8 -1.204 -6.363 -2.814 1.00 94.86 C +ATOM 48 CG PRO A 8 -0.164 -5.362 -3.121 1.00 93.82 C +ATOM 49 CD PRO A 8 -0.495 -4.130 -2.323 1.00 95.78 C +HETATM 50 N HYP A 9 -1.423 -8.144 -0.154 1.00 95.28 N +HETATM 51 CA HYP A 9 -0.805 -9.055 0.736 1.00 94.89 C +HETATM 52 C HYP A 9 0.499 -9.584 0.178 1.00 94.89 C +HETATM 53 O HYP A 9 0.671 -9.736 -1.024 1.00 94.06 O +HETATM 54 CB HYP A 9 -1.772 -10.300 0.758 1.00 91.78 C +HETATM 55 CG HYP A 9 -3.048 -9.790 0.319 1.00 91.94 C +HETATM 56 CD HYP A 9 -2.727 -8.665 -0.623 1.00 93.17 C +HETATM 57 OD1 HYP A 9 -3.724 -9.270 1.431 1.00 91.05 O +ATOM 58 N GLY A 10 1.481 -9.825 1.018 1.00 94.60 N +ATOM 59 CA GLY A 10 2.637 -10.597 0.646 1.00 93.55 C +ATOM 60 C GLY A 10 2.269 -12.069 0.641 1.00 93.54 C +ATOM 61 O GLY A 10 1.107 -12.443 0.800 1.00 92.87 O +ATOM 62 N PHE A 11 3.242 -12.913 0.479 1.00 94.84 N +ATOM 63 CA PHE A 11 2.968 -14.353 0.500 1.00 95.73 C +ATOM 64 C PHE A 11 2.585 -14.752 1.911 1.00 96.24 C +ATOM 65 O PHE A 11 3.436 -14.891 2.792 1.00 95.32 O +ATOM 66 CB PHE A 11 4.192 -15.121 0.025 1.00 94.66 C +ATOM 67 CG PHE A 11 4.481 -14.923 -1.433 1.00 90.67 C +ATOM 68 CD1 PHE A 11 5.587 -14.194 -1.832 1.00 88.28 C +ATOM 69 CD2 PHE A 11 3.651 -15.449 -2.391 1.00 88.23 C +ATOM 70 CE1 PHE A 11 5.863 -14.005 -3.171 1.00 87.17 C +ATOM 71 CE2 PHE A 11 3.908 -15.261 -3.737 1.00 87.67 C +ATOM 72 CZ PHE A 11 5.022 -14.540 -4.133 1.00 87.21 C +ATOM 73 N GLY A 12 1.289 -14.923 2.135 1.00 93.94 N +ATOM 74 CA GLY A 12 0.765 -15.216 3.458 1.00 94.88 C +ATOM 75 C GLY A 12 0.824 -14.042 4.404 1.00 95.94 C +ATOM 76 O GLY A 12 0.466 -14.185 5.576 1.00 93.92 O +ATOM 77 N GLY A 13 1.261 -12.894 3.929 1.00 95.72 N +ATOM 78 CA GLY A 13 1.407 -11.736 4.781 1.00 95.40 C +ATOM 79 C GLY A 13 0.185 -10.848 4.768 1.00 95.98 C +ATOM 80 O GLY A 13 -0.720 -11.016 3.949 1.00 95.83 O +ATOM 81 N PRO A 14 0.137 -9.904 5.686 1.00 96.33 N +ATOM 82 CA PRO A 14 -0.997 -8.992 5.772 1.00 96.27 C +ATOM 83 C PRO A 14 -0.946 -7.937 4.677 1.00 96.42 C +ATOM 84 O PRO A 14 0.066 -7.742 4.017 1.00 95.91 O +ATOM 85 CB PRO A 14 -0.837 -8.355 7.148 1.00 95.29 C +ATOM 86 CG PRO A 14 0.635 -8.354 7.362 1.00 93.83 C +ATOM 87 CD PRO A 14 1.139 -9.618 6.711 1.00 95.23 C +HETATM 88 N HYP A 15 -2.104 -7.277 4.497 1.00 96.28 N +HETATM 89 CA HYP A 15 -2.110 -6.144 3.618 1.00 96.55 C +HETATM 90 C HYP A 15 -1.131 -5.102 4.020 1.00 97.25 C +HETATM 91 O HYP A 15 -0.842 -4.968 5.245 1.00 95.21 O +HETATM 92 CB HYP A 15 -3.578 -5.627 3.790 1.00 93.94 C +HETATM 93 CG HYP A 15 -4.368 -6.847 4.138 1.00 92.57 C +HETATM 94 CD HYP A 15 -3.428 -7.611 5.029 1.00 94.40 C +HETATM 95 OD1 HYP A 15 -4.656 -7.559 2.981 1.00 92.05 O +ATOM 96 N GLY A 16 -0.584 -4.398 3.074 1.00 96.94 N +ATOM 97 CA GLY A 16 0.321 -3.326 3.376 1.00 96.79 C +ATOM 98 C GLY A 16 -0.397 -2.175 4.047 1.00 96.93 C +ATOM 99 O GLY A 16 -1.622 -2.166 4.165 1.00 96.73 O +ATOM 100 N PRO A 17 0.368 -1.193 4.494 1.00 95.42 N +ATOM 101 CA PRO A 17 -0.232 -0.039 5.151 1.00 95.16 C +ATOM 102 C PRO A 17 -1.007 0.824 4.172 1.00 95.52 C +ATOM 103 O PRO A 17 -0.823 0.728 2.960 1.00 95.14 O +ATOM 104 CB PRO A 17 0.972 0.706 5.730 1.00 94.16 C +ATOM 105 CG PRO A 17 2.100 0.294 4.873 1.00 92.50 C +ATOM 106 CD PRO A 17 1.819 -1.107 4.425 1.00 94.30 C +HETATM 107 N HYP A 18 -1.931 1.658 4.713 1.00 94.35 N +HETATM 108 CA HYP A 18 -2.598 2.587 3.896 1.00 95.37 C +HETATM 109 C HYP A 18 -1.678 3.500 3.145 1.00 95.45 C +HETATM 110 O HYP A 18 -0.582 3.820 3.646 1.00 94.89 O +HETATM 111 CB HYP A 18 -3.431 3.404 4.942 1.00 92.07 C +HETATM 112 CG HYP A 18 -3.692 2.413 6.052 1.00 90.19 C +HETATM 113 CD HYP A 18 -2.377 1.653 6.105 1.00 93.26 C +HETATM 114 OD1 HYP A 18 -4.740 1.553 5.675 1.00 89.76 O +ATOM 115 N GLY A 19 -2.065 3.879 1.982 1.00 94.52 N +ATOM 116 CA GLY A 19 -1.294 4.801 1.200 1.00 94.56 C +ATOM 117 C GLY A 19 -1.241 6.168 1.850 1.00 94.82 C +ATOM 118 O GLY A 19 -1.931 6.438 2.832 1.00 95.24 O +ATOM 119 N PRO A 20 -0.408 7.037 1.309 1.00 93.81 N +ATOM 120 CA PRO A 20 -0.275 8.368 1.876 1.00 93.78 C +ATOM 121 C PRO A 20 -1.515 9.206 1.630 1.00 93.71 C +ATOM 122 O PRO A 20 -2.313 8.928 0.744 1.00 93.65 O +ATOM 123 CB PRO A 20 0.940 8.941 1.143 1.00 92.10 C +ATOM 124 CG PRO A 20 0.948 8.217 -0.147 1.00 90.18 C +ATOM 125 CD PRO A 20 0.445 6.833 0.144 1.00 92.39 C +HETATM 126 N HYP A 21 -1.674 10.240 2.453 1.00 93.56 N +HETATM 127 CA HYP A 21 -2.735 11.158 2.244 1.00 93.79 C +HETATM 128 C HYP A 21 -2.676 11.873 0.939 1.00 94.59 C +HETATM 129 O HYP A 21 -1.565 12.173 0.479 1.00 94.17 O +HETATM 130 CB HYP A 21 -2.584 12.212 3.374 1.00 92.23 C +HETATM 131 CG HYP A 21 -1.832 11.501 4.444 1.00 89.05 C +HETATM 132 CD HYP A 21 -0.907 10.587 3.661 1.00 92.55 C +HETATM 133 OD1 HYP A 21 -2.743 10.708 5.204 1.00 90.40 O +ATOM 134 N GLY A 22 -3.757 12.044 0.286 1.00 94.44 N +ATOM 135 CA GLY A 22 -3.794 12.853 -0.899 1.00 93.48 C +ATOM 136 C GLY A 22 -3.718 14.325 -0.529 1.00 93.50 C +ATOM 137 O GLY A 22 -3.729 14.688 0.646 1.00 93.57 O +ATOM 138 N PRO A 23 -3.648 15.203 -1.520 1.00 95.33 N +ATOM 139 CA PRO A 23 -3.652 16.626 -1.225 1.00 95.38 C +ATOM 140 C PRO A 23 -5.000 17.028 -0.660 1.00 94.64 C +ATOM 141 O PRO A 23 -6.031 16.686 -1.225 1.00 92.69 O +ATOM 142 CB PRO A 23 -3.407 17.295 -2.581 1.00 93.55 C +ATOM 143 CG PRO A 23 -3.185 16.206 -3.542 1.00 90.74 C +ATOM 144 CD PRO A 23 -3.600 14.913 -2.935 1.00 93.93 C +HETATM 145 N HYP A 24 -5.020 17.637 0.440 1.00 95.69 N +HETATM 146 CA HYP A 24 -6.329 17.789 1.105 1.00 93.71 C +HETATM 147 C HYP A 24 -7.061 16.606 1.452 1.00 95.96 C +HETATM 148 O HYP A 24 -8.328 16.496 1.401 1.00 94.82 O +HETATM 149 CB HYP A 24 -6.249 18.896 2.033 1.00 93.10 C +HETATM 150 CG HYP A 24 -5.138 19.738 1.421 1.00 91.57 C +HETATM 151 CD HYP A 24 -4.236 18.756 0.642 1.00 93.81 C +HETATM 152 OD1 HYP A 24 -4.406 20.436 2.370 1.00 91.88 O +HETATM 153 OXT HYP A 24 -6.870 15.899 2.511 1.00 90.47 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_561.txt b/protein_pdb_561.txt new file mode 100644 index 0000000000000000000000000000000000000000..516a03574354ee766239308051f0843d7f7ef1a1 --- /dev/null +++ b/protein_pdb_561.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 12.102 -1.796 -9.824 1.00 84.30 N +ATOM 2 CA GLY A 1 11.786 -0.467 -9.372 1.00 86.23 C +ATOM 3 C GLY A 1 11.507 -0.432 -7.892 1.00 87.32 C +ATOM 4 O GLY A 1 11.497 -1.470 -7.233 1.00 85.27 O +ATOM 5 N PRO A 2 11.211 0.741 -7.279 1.00 87.42 N +ATOM 6 CA PRO A 2 10.934 0.874 -5.858 1.00 88.38 C +ATOM 7 C PRO A 2 9.564 0.332 -5.500 1.00 88.94 C +ATOM 8 O PRO A 2 8.716 0.124 -6.360 1.00 87.17 O +ATOM 9 CB PRO A 2 11.005 2.381 -5.637 1.00 84.73 C +ATOM 10 CG PRO A 2 10.617 2.952 -6.950 1.00 80.25 C +ATOM 11 CD PRO A 2 11.180 2.019 -7.985 1.00 82.59 C +HETATM 12 N HYP A 3 9.379 0.101 -4.205 1.00 85.66 N +HETATM 13 CA HYP A 3 8.038 -0.309 -3.744 1.00 85.95 C +HETATM 14 C HYP A 3 7.008 0.728 -4.076 1.00 89.08 C +HETATM 15 O HYP A 3 7.333 1.933 -4.147 1.00 91.13 O +HETATM 16 CB HYP A 3 8.249 -0.412 -2.207 1.00 87.34 C +HETATM 17 CG HYP A 3 9.693 -0.807 -2.070 1.00 83.11 C +HETATM 18 CD HYP A 3 10.365 0.047 -3.170 1.00 86.95 C +HETATM 19 OD1 HYP A 3 9.813 -2.165 -2.372 1.00 86.88 O +ATOM 20 N GLY A 4 5.820 0.227 -4.378 1.00 90.82 N +ATOM 21 CA GLY A 4 4.726 1.108 -4.655 1.00 89.89 C +ATOM 22 C GLY A 4 4.336 1.913 -3.432 1.00 91.01 C +ATOM 23 O GLY A 4 4.792 1.646 -2.320 1.00 91.75 O +ATOM 24 N PRO A 5 3.487 2.910 -3.624 1.00 90.02 N +ATOM 25 CA PRO A 5 3.053 3.736 -2.508 1.00 89.38 C +ATOM 26 C PRO A 5 2.116 2.980 -1.585 1.00 89.53 C +ATOM 27 O PRO A 5 1.560 1.957 -1.952 1.00 88.49 O +ATOM 28 CB PRO A 5 2.341 4.898 -3.195 1.00 86.92 C +ATOM 29 CG PRO A 5 1.822 4.298 -4.454 1.00 84.22 C +ATOM 30 CD PRO A 5 2.856 3.306 -4.881 1.00 87.45 C +HETATM 31 N HYP A 6 1.964 3.517 -0.373 1.00 88.08 N +HETATM 32 CA HYP A 6 1.014 2.936 0.547 1.00 92.95 C +HETATM 33 C HYP A 6 -0.384 2.944 -0.004 1.00 91.28 C +HETATM 34 O HYP A 6 -0.754 3.885 -0.750 1.00 91.86 O +HETATM 35 CB HYP A 6 1.116 3.878 1.775 1.00 85.28 C +HETATM 36 CG HYP A 6 2.502 4.438 1.683 1.00 83.53 C +HETATM 37 CD HYP A 6 2.675 4.622 0.185 1.00 86.87 C +HETATM 38 OD1 HYP A 6 3.418 3.472 2.154 1.00 87.35 O +ATOM 39 N GLY A 7 -1.099 1.895 0.273 1.00 94.31 N +ATOM 40 CA GLY A 7 -2.471 1.823 -0.144 1.00 93.86 C +ATOM 41 C GLY A 7 -3.305 2.873 0.562 1.00 94.33 C +ATOM 42 O GLY A 7 -2.870 3.506 1.530 1.00 94.13 O +ATOM 43 N PRO A 8 -4.517 3.070 0.085 1.00 91.01 N +ATOM 44 CA PRO A 8 -5.392 4.048 0.720 1.00 90.85 C +ATOM 45 C PRO A 8 -5.888 3.545 2.067 1.00 90.81 C +ATOM 46 O PRO A 8 -5.868 2.356 2.351 1.00 88.51 O +ATOM 47 CB PRO A 8 -6.542 4.179 -0.270 1.00 88.28 C +ATOM 48 CG PRO A 8 -6.585 2.852 -0.939 1.00 86.78 C +ATOM 49 CD PRO A 8 -5.153 2.405 -1.039 1.00 89.15 C +HETATM 50 N HYP A 9 -6.337 4.481 2.894 1.00 89.85 N +HETATM 51 CA HYP A 9 -6.897 4.106 4.145 1.00 88.37 C +HETATM 52 C HYP A 9 -8.154 3.304 3.961 1.00 89.57 C +HETATM 53 O HYP A 9 -8.897 3.507 2.983 1.00 91.01 O +HETATM 54 CB HYP A 9 -7.258 5.477 4.785 1.00 82.90 C +HETATM 55 CG HYP A 9 -6.360 6.454 4.137 1.00 83.90 C +HETATM 56 CD HYP A 9 -6.227 5.950 2.759 1.00 88.06 C +HETATM 57 OD1 HYP A 9 -5.103 6.406 4.774 1.00 82.99 O +ATOM 58 N GLY A 10 -8.428 2.374 4.809 1.00 91.91 N +ATOM 59 CA GLY A 10 -9.740 1.779 4.890 1.00 89.07 C +ATOM 60 C GLY A 10 -10.723 2.829 5.377 1.00 89.67 C +ATOM 61 O GLY A 10 -10.366 3.984 5.606 1.00 87.48 O +ATOM 62 N THR A 11 -11.959 2.421 5.554 1.00 90.64 N +ATOM 63 CA THR A 11 -12.977 3.386 5.969 1.00 90.79 C +ATOM 64 C THR A 11 -12.519 4.204 7.174 1.00 90.63 C +ATOM 65 O THR A 11 -12.660 5.428 7.194 1.00 88.36 O +ATOM 66 CB THR A 11 -14.292 2.669 6.276 1.00 88.00 C +ATOM 67 OG1 THR A 11 -14.654 1.878 5.152 1.00 84.16 O +ATOM 68 CG2 THR A 11 -15.396 3.664 6.567 1.00 81.75 C +ATOM 69 N TYR A 12 -11.968 3.520 8.157 1.00 89.04 N +ATOM 70 CA TYR A 12 -11.400 4.169 9.334 1.00 89.83 C +ATOM 71 C TYR A 12 -10.056 3.557 9.698 1.00 89.76 C +ATOM 72 O TYR A 12 -9.630 3.610 10.847 1.00 87.20 O +ATOM 73 CB TYR A 12 -12.368 4.069 10.522 1.00 89.33 C +ATOM 74 CG TYR A 12 -13.678 4.773 10.267 1.00 85.26 C +ATOM 75 CD1 TYR A 12 -13.768 6.156 10.356 1.00 82.65 C +ATOM 76 CD2 TYR A 12 -14.822 4.069 9.915 1.00 82.16 C +ATOM 77 CE1 TYR A 12 -14.952 6.810 10.105 1.00 81.34 C +ATOM 78 CE2 TYR A 12 -16.016 4.723 9.658 1.00 83.00 C +ATOM 79 CZ TYR A 12 -16.075 6.093 9.758 1.00 81.43 C +ATOM 80 OH TYR A 12 -17.259 6.754 9.498 1.00 80.16 O +ATOM 81 N GLY A 13 -9.385 2.975 8.721 1.00 92.08 N +ATOM 82 CA GLY A 13 -8.177 2.229 8.961 1.00 90.59 C +ATOM 83 C GLY A 13 -6.927 2.905 8.453 1.00 90.93 C +ATOM 84 O GLY A 13 -6.985 3.935 7.783 1.00 90.48 O +ATOM 85 N PRO A 14 -5.786 2.325 8.782 1.00 91.54 N +ATOM 86 CA PRO A 14 -4.512 2.863 8.336 1.00 90.88 C +ATOM 87 C PRO A 14 -4.305 2.618 6.852 1.00 91.00 C +ATOM 88 O PRO A 14 -4.998 1.823 6.237 1.00 88.34 O +ATOM 89 CB PRO A 14 -3.495 2.081 9.166 1.00 88.10 C +ATOM 90 CG PRO A 14 -4.155 0.767 9.382 1.00 87.02 C +ATOM 91 CD PRO A 14 -5.614 1.085 9.544 1.00 88.44 C +HETATM 92 N HYP A 15 -3.307 3.315 6.336 1.00 91.48 N +HETATM 93 CA HYP A 15 -2.936 3.055 4.966 1.00 91.37 C +HETATM 94 C HYP A 15 -2.531 1.652 4.732 1.00 92.38 C +HETATM 95 O HYP A 15 -1.994 1.011 5.667 1.00 93.09 O +HETATM 96 CB HYP A 15 -1.801 4.060 4.755 1.00 87.03 C +HETATM 97 CG HYP A 15 -2.043 5.142 5.789 1.00 85.28 C +HETATM 98 CD HYP A 15 -2.573 4.383 6.959 1.00 90.00 C +HETATM 99 OD1 HYP A 15 -3.001 6.050 5.308 1.00 88.48 O +ATOM 100 N GLY A 16 -2.785 1.142 3.567 1.00 94.01 N +ATOM 101 CA GLY A 16 -2.348 -0.175 3.219 1.00 93.47 C +ATOM 102 C GLY A 16 -0.837 -0.254 3.134 1.00 93.90 C +ATOM 103 O GLY A 16 -0.143 0.767 3.179 1.00 93.43 O +ATOM 104 N PRO A 17 -0.319 -1.473 3.008 1.00 91.21 N +ATOM 105 CA PRO A 17 1.121 -1.640 2.916 1.00 90.48 C +ATOM 106 C PRO A 17 1.651 -1.138 1.588 1.00 91.41 C +ATOM 107 O PRO A 17 0.907 -0.978 0.623 1.00 89.79 O +ATOM 108 CB PRO A 17 1.306 -3.152 3.062 1.00 88.24 C +ATOM 109 CG PRO A 17 0.036 -3.711 2.537 1.00 86.96 C +ATOM 110 CD PRO A 17 -1.037 -2.740 2.929 1.00 88.52 C +HETATM 111 N HYP A 18 2.962 -0.889 1.551 1.00 86.37 N +HETATM 112 CA HYP A 18 3.580 -0.534 0.316 1.00 86.75 C +HETATM 113 C HYP A 18 3.408 -1.574 -0.731 1.00 87.98 C +HETATM 114 O HYP A 18 3.372 -2.800 -0.421 1.00 88.81 O +HETATM 115 CB HYP A 18 5.056 -0.372 0.705 1.00 83.91 C +HETATM 116 CG HYP A 18 5.012 -0.016 2.171 1.00 83.62 C +HETATM 117 CD HYP A 18 3.866 -0.872 2.671 1.00 88.26 C +HETATM 118 OD1 HYP A 18 4.669 1.358 2.318 1.00 85.87 O +ATOM 119 N GLY A 19 3.273 -1.175 -1.964 1.00 87.02 N +ATOM 120 CA GLY A 19 3.181 -2.091 -3.064 1.00 86.85 C +ATOM 121 C GLY A 19 4.493 -2.816 -3.293 1.00 87.12 C +ATOM 122 O GLY A 19 5.521 -2.465 -2.728 1.00 88.03 O +ATOM 123 N PRO A 20 4.451 -3.844 -4.121 1.00 79.20 N +ATOM 124 CA PRO A 20 5.658 -4.599 -4.412 1.00 79.19 C +ATOM 125 C PRO A 20 6.606 -3.789 -5.287 1.00 79.42 C +ATOM 126 O PRO A 20 6.220 -2.795 -5.892 1.00 81.04 O +ATOM 127 CB PRO A 20 5.128 -5.825 -5.149 1.00 76.48 C +ATOM 128 CG PRO A 20 3.887 -5.328 -5.812 1.00 72.47 C +ATOM 129 CD PRO A 20 3.292 -4.334 -4.858 1.00 73.95 C +HETATM 130 N HYP A 21 7.872 -4.223 -5.308 1.00 81.85 N +HETATM 131 CA HYP A 21 8.802 -3.609 -6.201 1.00 82.18 C +HETATM 132 C HYP A 21 8.370 -3.591 -7.640 1.00 82.29 C +HETATM 133 O HYP A 21 7.721 -4.553 -8.077 1.00 89.90 O +HETATM 134 CB HYP A 21 10.086 -4.431 -6.036 1.00 80.73 C +HETATM 135 CG HYP A 21 9.986 -4.975 -4.636 1.00 77.17 C +HETATM 136 CD HYP A 21 8.511 -5.264 -4.492 1.00 82.30 C +HETATM 137 OD1 HYP A 21 10.327 -3.938 -3.708 1.00 79.46 O +ATOM 138 N GLY A 22 8.595 -2.516 -8.331 1.00 81.62 N +ATOM 139 CA GLY A 22 8.280 -2.416 -9.724 1.00 78.05 C +ATOM 140 C GLY A 22 9.179 -3.311 -10.556 1.00 77.90 C +ATOM 141 O GLY A 22 10.077 -3.969 -10.038 1.00 79.10 O +ATOM 142 N PRO A 23 8.962 -3.332 -11.863 1.00 88.84 N +ATOM 143 CA PRO A 23 9.792 -4.158 -12.727 1.00 87.95 C +ATOM 144 C PRO A 23 11.221 -3.656 -12.735 1.00 86.74 C +ATOM 145 O PRO A 23 11.478 -2.472 -12.556 1.00 83.08 O +ATOM 146 CB PRO A 23 9.129 -4.027 -14.091 1.00 83.73 C +ATOM 147 CG PRO A 23 8.429 -2.723 -14.035 1.00 80.68 C +ATOM 148 CD PRO A 23 7.980 -2.568 -12.606 1.00 84.09 C +HETATM 149 N HYP A 24 12.141 -4.461 -12.850 1.00 89.65 N +HETATM 150 CA HYP A 24 13.560 -4.056 -12.776 1.00 82.04 C +HETATM 151 C HYP A 24 13.805 -2.704 -12.370 1.00 87.28 C +HETATM 152 O HYP A 24 14.287 -1.872 -13.126 1.00 84.35 O +HETATM 153 CB HYP A 24 14.261 -4.773 -13.768 1.00 85.00 C +HETATM 154 CG HYP A 24 13.345 -5.878 -14.228 1.00 82.84 C +HETATM 155 CD HYP A 24 11.972 -5.541 -13.700 1.00 87.29 C +HETATM 156 OD1 HYP A 24 13.709 -7.116 -13.633 1.00 84.48 O +HETATM 157 OXT HYP A 24 13.758 -2.437 -11.124 1.00 83.86 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_562.txt b/protein_pdb_562.txt new file mode 100644 index 0000000000000000000000000000000000000000..0079044877fc166de8a7e22ef24d3d3b263b5853 --- /dev/null +++ b/protein_pdb_562.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 14.902 -0.693 0.901 1.00 90.14 N +ATOM 2 CA GLY A 1 14.008 -0.111 -0.033 1.00 90.61 C +ATOM 3 C GLY A 1 12.934 0.740 0.609 1.00 90.80 C +ATOM 4 O GLY A 1 12.700 0.658 1.812 1.00 88.83 O +ATOM 5 N PRO A 2 12.287 1.536 -0.167 1.00 89.34 N +ATOM 6 CA PRO A 2 11.233 2.400 0.342 1.00 89.05 C +ATOM 7 C PRO A 2 9.959 1.621 0.600 1.00 88.23 C +ATOM 8 O PRO A 2 9.813 0.482 0.173 1.00 86.72 O +ATOM 9 CB PRO A 2 11.054 3.410 -0.785 1.00 86.01 C +ATOM 10 CG PRO A 2 11.377 2.618 -2.003 1.00 82.46 C +ATOM 11 CD PRO A 2 12.521 1.726 -1.596 1.00 84.86 C +HETATM 12 N HYP A 3 9.039 2.282 1.321 1.00 87.65 N +HETATM 13 CA HYP A 3 7.758 1.638 1.555 1.00 88.78 C +HETATM 14 C HYP A 3 7.014 1.372 0.270 1.00 88.78 C +HETATM 15 O HYP A 3 7.143 2.155 -0.703 1.00 90.74 O +HETATM 16 CB HYP A 3 6.969 2.758 2.358 1.00 86.06 C +HETATM 17 CG HYP A 3 8.054 3.558 3.035 1.00 79.96 C +HETATM 18 CD HYP A 3 9.183 3.561 1.963 1.00 86.64 C +HETATM 19 OD1 HYP A 3 8.475 2.850 4.158 1.00 85.24 O +ATOM 20 N GLY A 4 6.335 0.256 0.230 1.00 92.31 N +ATOM 21 CA GLY A 4 5.556 -0.079 -0.930 1.00 91.87 C +ATOM 22 C GLY A 4 4.366 0.851 -1.074 1.00 92.60 C +ATOM 23 O GLY A 4 4.026 1.594 -0.156 1.00 92.60 O +ATOM 24 N PRO A 5 3.724 0.825 -2.238 1.00 90.74 N +ATOM 25 CA PRO A 5 2.568 1.678 -2.469 1.00 90.59 C +ATOM 26 C PRO A 5 1.365 1.208 -1.674 1.00 90.20 C +ATOM 27 O PRO A 5 1.326 0.082 -1.193 1.00 88.80 O +ATOM 28 CB PRO A 5 2.334 1.547 -3.973 1.00 89.10 C +ATOM 29 CG PRO A 5 2.813 0.167 -4.269 1.00 87.10 C +ATOM 30 CD PRO A 5 4.020 -0.016 -3.391 1.00 89.16 C +HETATM 31 N HYP A 6 0.396 2.123 -1.530 1.00 90.06 N +HETATM 32 CA HYP A 6 -0.843 1.715 -0.891 1.00 93.35 C +HETATM 33 C HYP A 6 -1.488 0.577 -1.605 1.00 89.45 C +HETATM 34 O HYP A 6 -1.361 0.471 -2.857 1.00 91.30 O +HETATM 35 CB HYP A 6 -1.714 3.001 -1.034 1.00 84.82 C +HETATM 36 CG HYP A 6 -0.723 4.125 -1.141 1.00 84.01 C +HETATM 37 CD HYP A 6 0.407 3.498 -1.959 1.00 87.31 C +HETATM 38 OD1 HYP A 6 -0.238 4.449 0.147 1.00 86.28 O +ATOM 39 N GLY A 7 -2.086 -0.312 -0.872 1.00 91.33 N +ATOM 40 CA GLY A 7 -2.774 -1.427 -1.459 1.00 90.65 C +ATOM 41 C GLY A 7 -3.926 -0.959 -2.318 1.00 91.24 C +ATOM 42 O GLY A 7 -4.361 0.191 -2.242 1.00 90.76 O +ATOM 43 N PRO A 8 -4.439 -1.850 -3.157 1.00 89.90 N +ATOM 44 CA PRO A 8 -5.552 -1.480 -4.022 1.00 89.75 C +ATOM 45 C PRO A 8 -6.832 -1.294 -3.229 1.00 89.82 C +ATOM 46 O PRO A 8 -6.975 -1.808 -2.128 1.00 88.57 O +ATOM 47 CB PRO A 8 -5.659 -2.659 -4.987 1.00 87.71 C +ATOM 48 CG PRO A 8 -5.162 -3.803 -4.179 1.00 86.77 C +ATOM 49 CD PRO A 8 -4.041 -3.233 -3.348 1.00 87.99 C +HETATM 50 N HYP A 9 -7.754 -0.545 -3.808 1.00 88.39 N +HETATM 51 CA HYP A 9 -9.015 -0.369 -3.194 1.00 84.85 C +HETATM 52 C HYP A 9 -9.756 -1.672 -3.118 1.00 89.08 C +HETATM 53 O HYP A 9 -9.688 -2.481 -4.053 1.00 88.99 O +HETATM 54 CB HYP A 9 -9.745 0.584 -4.208 1.00 81.84 C +HETATM 55 CG HYP A 9 -8.672 1.265 -4.968 1.00 80.71 C +HETATM 56 CD HYP A 9 -7.590 0.257 -5.047 1.00 86.78 C +HETATM 57 OD1 HYP A 9 -8.192 2.361 -4.205 1.00 82.19 O +ATOM 58 N GLY A 10 -10.407 -1.989 -2.040 1.00 91.00 N +ATOM 59 CA GLY A 10 -11.297 -3.123 -1.975 1.00 88.59 C +ATOM 60 C GLY A 10 -12.549 -2.816 -2.770 1.00 88.34 C +ATOM 61 O GLY A 10 -12.702 -1.731 -3.333 1.00 86.88 O +ATOM 62 N SER A 11 -13.449 -3.752 -2.796 1.00 92.02 N +ATOM 63 CA SER A 11 -14.709 -3.515 -3.492 1.00 92.16 C +ATOM 64 C SER A 11 -15.436 -2.320 -2.886 1.00 92.68 C +ATOM 65 O SER A 11 -16.091 -1.555 -3.601 1.00 90.39 O +ATOM 66 CB SER A 11 -15.600 -4.750 -3.417 1.00 88.32 C +ATOM 67 OG SER A 11 -15.003 -5.818 -4.111 1.00 81.88 O +ATOM 68 N PHE A 12 -15.308 -2.174 -1.574 1.00 89.82 N +ATOM 69 CA PHE A 12 -15.937 -1.068 -0.857 1.00 91.68 C +ATOM 70 C PHE A 12 -15.031 -0.463 0.201 1.00 92.22 C +ATOM 71 O PHE A 12 -15.273 0.659 0.646 1.00 89.26 O +ATOM 72 CB PHE A 12 -17.228 -1.557 -0.191 1.00 89.93 C +ATOM 73 CG PHE A 12 -18.216 -2.134 -1.164 1.00 85.44 C +ATOM 74 CD1 PHE A 12 -19.023 -1.301 -1.915 1.00 82.89 C +ATOM 75 CD2 PHE A 12 -18.306 -3.500 -1.357 1.00 81.94 C +ATOM 76 CE1 PHE A 12 -19.912 -1.819 -2.839 1.00 80.74 C +ATOM 77 CE2 PHE A 12 -19.195 -4.029 -2.288 1.00 82.81 C +ATOM 78 CZ PHE A 12 -20.005 -3.185 -3.027 1.00 81.75 C +ATOM 79 N GLY A 13 -14.020 -1.187 0.613 1.00 92.77 N +ATOM 80 CA GLY A 13 -13.133 -0.727 1.651 1.00 91.91 C +ATOM 81 C GLY A 13 -12.080 0.245 1.158 1.00 92.63 C +ATOM 82 O GLY A 13 -11.901 0.433 -0.045 1.00 92.77 O +ATOM 83 N PRO A 14 -11.361 0.864 2.093 1.00 94.00 N +ATOM 84 CA PRO A 14 -10.318 1.823 1.752 1.00 93.76 C +ATOM 85 C PRO A 14 -9.083 1.127 1.201 1.00 93.71 C +ATOM 86 O PRO A 14 -8.938 -0.085 1.315 1.00 92.48 O +ATOM 87 CB PRO A 14 -10.018 2.511 3.081 1.00 92.45 C +ATOM 88 CG PRO A 14 -10.286 1.442 4.078 1.00 91.06 C +ATOM 89 CD PRO A 14 -11.482 0.701 3.542 1.00 92.01 C +HETATM 90 N HYP A 15 -8.197 1.943 0.651 1.00 93.17 N +HETATM 91 CA HYP A 15 -6.941 1.398 0.175 1.00 93.27 C +HETATM 92 C HYP A 15 -6.158 0.779 1.285 1.00 93.88 C +HETATM 93 O HYP A 15 -6.284 1.221 2.454 1.00 93.10 O +HETATM 94 CB HYP A 15 -6.242 2.700 -0.334 1.00 90.57 C +HETATM 95 CG HYP A 15 -7.380 3.642 -0.672 1.00 88.34 C +HETATM 96 CD HYP A 15 -8.377 3.361 0.415 1.00 91.17 C +HETATM 97 OD1 HYP A 15 -7.922 3.325 -1.927 1.00 89.04 O +ATOM 98 N GLY A 16 -5.397 -0.238 0.970 1.00 95.44 N +ATOM 99 CA GLY A 16 -4.561 -0.862 1.953 1.00 95.07 C +ATOM 100 C GLY A 16 -3.446 0.067 2.381 1.00 95.41 C +ATOM 101 O GLY A 16 -3.183 1.086 1.735 1.00 95.21 O +ATOM 102 N PRO A 17 -2.775 -0.273 3.476 1.00 92.23 N +ATOM 103 CA PRO A 17 -1.674 0.547 3.959 1.00 91.85 C +ATOM 104 C PRO A 17 -0.465 0.414 3.049 1.00 92.32 C +ATOM 105 O PRO A 17 -0.379 -0.506 2.244 1.00 90.82 O +ATOM 106 CB PRO A 17 -1.394 -0.014 5.349 1.00 90.15 C +ATOM 107 CG PRO A 17 -1.787 -1.444 5.217 1.00 88.87 C +ATOM 108 CD PRO A 17 -2.996 -1.436 4.325 1.00 90.51 C +HETATM 109 N HYP A 18 0.467 1.390 3.191 1.00 86.77 N +HETATM 110 CA HYP A 18 1.691 1.228 2.473 1.00 84.85 C +HETATM 111 C HYP A 18 2.374 -0.057 2.794 1.00 87.66 C +HETATM 112 O HYP A 18 2.278 -0.545 3.945 1.00 87.52 O +HETATM 113 CB HYP A 18 2.509 2.444 2.982 1.00 83.40 C +HETATM 114 CG HYP A 18 1.486 3.464 3.388 1.00 81.00 C +HETATM 115 CD HYP A 18 0.390 2.591 3.973 1.00 87.33 C +HETATM 116 OD1 HYP A 18 0.978 4.139 2.250 1.00 83.17 O +ATOM 117 N GLY A 19 3.011 -0.642 1.818 1.00 83.03 N +ATOM 118 CA GLY A 19 3.744 -1.857 2.023 1.00 82.38 C +ATOM 119 C GLY A 19 4.940 -1.625 2.924 1.00 81.90 C +ATOM 120 O GLY A 19 5.339 -0.489 3.163 1.00 83.77 O +ATOM 121 N PRO A 20 5.536 -2.697 3.423 1.00 77.53 N +ATOM 122 CA PRO A 20 6.701 -2.562 4.279 1.00 78.16 C +ATOM 123 C PRO A 20 7.917 -2.120 3.488 1.00 77.61 C +ATOM 124 O PRO A 20 7.955 -2.256 2.268 1.00 79.54 O +ATOM 125 CB PRO A 20 6.880 -3.967 4.850 1.00 76.09 C +ATOM 126 CG PRO A 20 6.337 -4.841 3.769 1.00 73.12 C +ATOM 127 CD PRO A 20 5.165 -4.087 3.218 1.00 74.29 C +HETATM 128 N HYP A 21 8.885 -1.567 4.200 1.00 81.05 N +HETATM 129 CA HYP A 21 10.129 -1.225 3.547 1.00 84.16 C +HETATM 130 C HYP A 21 10.793 -2.415 2.867 1.00 80.87 C +HETATM 131 O HYP A 21 10.697 -3.527 3.393 1.00 87.22 O +HETATM 132 CB HYP A 21 11.000 -0.706 4.698 1.00 78.68 C +HETATM 133 CG HYP A 21 10.038 -0.234 5.759 1.00 74.82 C +HETATM 134 CD HYP A 21 8.889 -1.225 5.626 1.00 82.47 C +HETATM 135 OD1 HYP A 21 9.548 1.061 5.424 1.00 79.17 O +ATOM 136 N GLY A 22 11.365 -2.198 1.747 1.00 79.50 N +ATOM 137 CA GLY A 22 12.083 -3.237 1.072 1.00 77.09 C +ATOM 138 C GLY A 22 13.368 -3.559 1.819 1.00 76.12 C +ATOM 139 O GLY A 22 13.712 -2.898 2.795 1.00 77.91 O +ATOM 140 N PRO A 23 14.122 -4.567 1.373 1.00 87.61 N +ATOM 141 CA PRO A 23 15.374 -4.924 2.031 1.00 88.09 C +ATOM 142 C PRO A 23 16.440 -3.878 1.738 1.00 86.72 C +ATOM 143 O PRO A 23 17.056 -3.890 0.681 1.00 83.27 O +ATOM 144 CB PRO A 23 15.708 -6.280 1.426 1.00 84.14 C +ATOM 145 CG PRO A 23 15.090 -6.238 0.079 1.00 80.97 C +ATOM 146 CD PRO A 23 13.836 -5.421 0.238 1.00 85.07 C +HETATM 147 N HYP A 24 16.600 -2.900 2.501 1.00 89.36 N +HETATM 148 CA HYP A 24 17.186 -1.493 2.202 1.00 87.83 C +HETATM 149 C HYP A 24 16.350 -0.544 1.622 1.00 89.69 C +HETATM 150 O HYP A 24 16.842 0.231 0.642 1.00 91.72 O +HETATM 151 CB HYP A 24 17.669 -1.085 3.627 1.00 83.66 C +HETATM 152 CG HYP A 24 17.797 -2.353 4.472 1.00 80.20 C +HETATM 153 CD HYP A 24 17.024 -3.431 3.712 1.00 87.01 C +HETATM 154 OD1 HYP A 24 19.128 -2.748 4.558 1.00 86.08 O +HETATM 155 OXT HYP A 24 15.551 0.347 2.343 1.00 86.24 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_563.txt b/protein_pdb_563.txt new file mode 100644 index 0000000000000000000000000000000000000000..ffbc4ce7da9c1b3e778eb9aeaa3152806625a881 --- /dev/null +++ b/protein_pdb_563.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 14.355 -3.274 -2.586 1.00 91.94 N +ATOM 2 CA GLY A 1 13.286 -2.838 -3.416 1.00 92.14 C +ATOM 3 C GLY A 1 12.579 -1.605 -2.901 1.00 92.62 C +ATOM 4 O GLY A 1 12.729 -1.229 -1.744 1.00 90.77 O +ATOM 5 N PRO A 2 11.808 -0.986 -3.727 1.00 92.43 N +ATOM 6 CA PRO A 2 11.077 0.206 -3.344 1.00 92.49 C +ATOM 7 C PRO A 2 9.867 -0.146 -2.503 1.00 92.71 C +ATOM 8 O PRO A 2 9.471 -1.300 -2.411 1.00 90.52 O +ATOM 9 CB PRO A 2 10.676 0.800 -4.686 1.00 89.12 C +ATOM 10 CG PRO A 2 10.498 -0.404 -5.543 1.00 85.26 C +ATOM 11 CD PRO A 2 11.616 -1.326 -5.132 1.00 88.48 C +HETATM 12 N HYP A 3 9.282 0.912 -1.875 1.00 92.25 N +HETATM 13 CA HYP A 3 8.080 0.660 -1.104 1.00 91.05 C +HETATM 14 C HYP A 3 6.963 0.115 -1.969 1.00 91.89 C +HETATM 15 O HYP A 3 6.878 0.479 -3.167 1.00 93.30 O +HETATM 16 CB HYP A 3 7.662 2.115 -0.643 1.00 89.73 C +HETATM 17 CG HYP A 3 8.956 2.885 -0.615 1.00 87.72 C +HETATM 18 CD HYP A 3 9.735 2.276 -1.845 1.00 90.34 C +HETATM 19 OD1 HYP A 3 9.625 2.569 0.563 1.00 88.51 O +ATOM 20 N GLY A 4 6.206 -0.792 -1.400 1.00 92.20 N +ATOM 21 CA GLY A 4 5.103 -1.355 -2.121 1.00 91.58 C +ATOM 22 C GLY A 4 4.007 -0.330 -2.324 1.00 92.21 C +ATOM 23 O GLY A 4 4.003 0.727 -1.699 1.00 91.97 O +ATOM 24 N PRO A 5 3.053 -0.625 -3.217 1.00 92.00 N +ATOM 25 CA PRO A 5 1.955 0.299 -3.477 1.00 91.76 C +ATOM 26 C PRO A 5 0.990 0.345 -2.307 1.00 91.84 C +ATOM 27 O PRO A 5 0.993 -0.531 -1.452 1.00 90.36 O +ATOM 28 CB PRO A 5 1.304 -0.276 -4.729 1.00 89.41 C +ATOM 29 CG PRO A 5 1.550 -1.740 -4.591 1.00 86.88 C +ATOM 30 CD PRO A 5 2.942 -1.834 -4.024 1.00 90.10 C +HETATM 31 N HYP A 6 0.159 1.429 -2.288 1.00 91.86 N +HETATM 32 CA HYP A 6 -0.857 1.484 -1.260 1.00 93.26 C +HETATM 33 C HYP A 6 -1.777 0.304 -1.335 1.00 92.39 C +HETATM 34 O HYP A 6 -2.053 -0.216 -2.449 1.00 91.98 O +HETATM 35 CB HYP A 6 -1.640 2.781 -1.654 1.00 88.18 C +HETATM 36 CG HYP A 6 -0.664 3.623 -2.411 1.00 88.12 C +HETATM 37 CD HYP A 6 0.145 2.574 -3.178 1.00 90.43 C +HETATM 38 OD1 HYP A 6 0.177 4.286 -1.508 1.00 88.38 O +ATOM 39 N GLY A 7 -2.187 -0.196 -0.200 1.00 92.10 N +ATOM 40 CA GLY A 7 -3.080 -1.316 -0.152 1.00 90.86 C +ATOM 41 C GLY A 7 -4.422 -0.958 -0.751 1.00 91.82 C +ATOM 42 O GLY A 7 -4.747 0.217 -0.935 1.00 91.31 O +ATOM 43 N PRO A 8 -5.223 -1.962 -1.073 1.00 91.90 N +ATOM 44 CA PRO A 8 -6.534 -1.704 -1.645 1.00 91.56 C +ATOM 45 C PRO A 8 -7.496 -1.168 -0.604 1.00 92.13 C +ATOM 46 O PRO A 8 -7.274 -1.308 0.596 1.00 89.35 O +ATOM 47 CB PRO A 8 -6.966 -3.072 -2.158 1.00 89.02 C +ATOM 48 CG PRO A 8 -6.307 -4.006 -1.205 1.00 87.47 C +ATOM 49 CD PRO A 8 -4.958 -3.381 -0.939 1.00 89.79 C +HETATM 50 N HYP A 9 -8.569 -0.534 -1.076 1.00 90.15 N +HETATM 51 CA HYP A 9 -9.584 -0.096 -0.174 1.00 88.09 C +HETATM 52 C HYP A 9 -10.227 -1.256 0.526 1.00 90.55 C +HETATM 53 O HYP A 9 -10.392 -2.333 -0.060 1.00 89.83 O +HETATM 54 CB HYP A 9 -10.638 0.555 -1.144 1.00 84.63 C +HETATM 55 CG HYP A 9 -9.882 0.952 -2.345 1.00 85.38 C +HETATM 56 CD HYP A 9 -8.818 -0.092 -2.471 1.00 88.64 C +HETATM 57 OD1 HYP A 9 -9.273 2.194 -2.110 1.00 83.05 O +ATOM 58 N GLY A 10 -10.576 -1.158 1.789 1.00 89.90 N +ATOM 59 CA GLY A 10 -11.324 -2.172 2.491 1.00 87.29 C +ATOM 60 C GLY A 10 -12.759 -2.123 2.014 1.00 87.15 C +ATOM 61 O GLY A 10 -13.062 -1.568 0.960 1.00 84.62 O +ATOM 62 N CYS A 11 -13.666 -2.684 2.802 1.00 89.99 N +ATOM 63 CA CYS A 11 -15.070 -2.607 2.418 1.00 91.48 C +ATOM 64 C CYS A 11 -15.464 -1.162 2.142 1.00 92.01 C +ATOM 65 O CYS A 11 -16.142 -0.875 1.159 1.00 89.45 O +ATOM 66 CB CYS A 11 -15.952 -3.183 3.523 1.00 88.41 C +ATOM 67 SG CYS A 11 -15.731 -4.952 3.725 1.00 82.24 S +ATOM 68 N TYR A 12 -15.023 -0.274 3.020 1.00 87.59 N +ATOM 69 CA TYR A 12 -15.278 1.153 2.868 1.00 89.39 C +ATOM 70 C TYR A 12 -14.066 1.980 3.250 1.00 89.32 C +ATOM 71 O TYR A 12 -14.040 3.184 3.023 1.00 85.26 O +ATOM 72 CB TYR A 12 -16.452 1.586 3.758 1.00 87.38 C +ATOM 73 CG TYR A 12 -17.725 0.844 3.476 1.00 83.41 C +ATOM 74 CD1 TYR A 12 -18.483 1.125 2.350 1.00 81.35 C +ATOM 75 CD2 TYR A 12 -18.185 -0.145 4.344 1.00 79.60 C +ATOM 76 CE1 TYR A 12 -19.655 0.433 2.078 1.00 78.90 C +ATOM 77 CE2 TYR A 12 -19.353 -0.843 4.084 1.00 80.21 C +ATOM 78 CZ TYR A 12 -20.087 -0.544 2.955 1.00 78.32 C +ATOM 79 OH TYR A 12 -21.247 -1.235 2.686 1.00 76.88 O +ATOM 80 N GLY A 13 -13.098 1.361 3.867 1.00 92.79 N +ATOM 81 CA GLY A 13 -11.939 2.055 4.372 1.00 91.56 C +ATOM 82 C GLY A 13 -11.027 2.608 3.299 1.00 92.24 C +ATOM 83 O GLY A 13 -11.135 2.254 2.125 1.00 91.61 O +ATOM 84 N PRO A 14 -10.110 3.488 3.704 1.00 92.72 N +ATOM 85 CA PRO A 14 -9.159 4.086 2.776 1.00 92.15 C +ATOM 86 C PRO A 14 -8.108 3.070 2.359 1.00 92.62 C +ATOM 87 O PRO A 14 -7.996 1.999 2.950 1.00 90.78 O +ATOM 88 CB PRO A 14 -8.548 5.225 3.579 1.00 90.31 C +ATOM 89 CG PRO A 14 -8.591 4.713 4.978 1.00 88.67 C +ATOM 90 CD PRO A 14 -9.909 3.977 5.064 1.00 89.82 C +HETATM 91 N HYP A 15 -7.327 3.473 1.336 1.00 91.35 N +HETATM 92 CA HYP A 15 -6.264 2.587 0.933 1.00 92.25 C +HETATM 93 C HYP A 15 -5.305 2.320 2.050 1.00 92.97 C +HETATM 94 O HYP A 15 -5.094 3.213 2.913 1.00 92.13 O +HETATM 95 CB HYP A 15 -5.570 3.457 -0.172 1.00 89.13 C +HETATM 96 CG HYP A 15 -6.649 4.365 -0.689 1.00 88.61 C +HETATM 97 CD HYP A 15 -7.455 4.686 0.550 1.00 90.51 C +HETATM 98 OD1 HYP A 15 -7.436 3.694 -1.627 1.00 88.44 O +ATOM 99 N GLY A 16 -4.760 1.137 2.084 1.00 93.72 N +ATOM 100 CA GLY A 16 -3.794 0.802 3.084 1.00 93.15 C +ATOM 101 C GLY A 16 -2.511 1.573 2.864 1.00 93.74 C +ATOM 102 O GLY A 16 -2.315 2.194 1.816 1.00 93.13 O +ATOM 103 N PRO A 17 -1.618 1.541 3.852 1.00 90.53 N +ATOM 104 CA PRO A 17 -0.353 2.243 3.727 1.00 89.88 C +ATOM 105 C PRO A 17 0.549 1.571 2.703 1.00 90.83 C +ATOM 106 O PRO A 17 0.332 0.419 2.337 1.00 89.06 O +ATOM 107 CB PRO A 17 0.229 2.172 5.136 1.00 87.76 C +ATOM 108 CG PRO A 17 -0.330 0.899 5.664 1.00 85.40 C +ATOM 109 CD PRO A 17 -1.735 0.852 5.129 1.00 86.95 C +HETATM 110 N HYP A 18 1.564 2.334 2.246 1.00 86.08 N +HETATM 111 CA HYP A 18 2.513 1.721 1.363 1.00 87.39 C +HETATM 112 C HYP A 18 3.179 0.535 1.986 1.00 88.19 C +HETATM 113 O HYP A 18 3.398 0.500 3.211 1.00 88.53 O +HETATM 114 CB HYP A 18 3.548 2.862 1.152 1.00 86.47 C +HETATM 115 CG HYP A 18 2.788 4.122 1.367 1.00 84.93 C +HETATM 116 CD HYP A 18 1.828 3.736 2.493 1.00 88.67 C +HETATM 117 OD1 HYP A 18 2.042 4.452 0.203 1.00 85.60 O +ATOM 118 N GLY A 19 3.441 -0.476 1.182 1.00 84.93 N +ATOM 119 CA GLY A 19 4.088 -1.664 1.656 1.00 83.69 C +ATOM 120 C GLY A 19 5.517 -1.364 2.058 1.00 84.00 C +ATOM 121 O GLY A 19 6.068 -0.320 1.716 1.00 84.53 O +ATOM 122 N PRO A 20 6.143 -2.284 2.786 1.00 86.32 N +ATOM 123 CA PRO A 20 7.523 -2.086 3.200 1.00 85.89 C +ATOM 124 C PRO A 20 8.469 -2.221 2.019 1.00 86.10 C +ATOM 125 O PRO A 20 8.107 -2.767 0.984 1.00 85.10 O +ATOM 126 CB PRO A 20 7.740 -3.189 4.229 1.00 82.60 C +ATOM 127 CG PRO A 20 6.832 -4.268 3.751 1.00 79.09 C +ATOM 128 CD PRO A 20 5.605 -3.543 3.263 1.00 82.45 C +HETATM 129 N HYP A 21 9.669 -1.680 2.189 1.00 85.15 N +HETATM 130 CA HYP A 21 10.670 -1.865 1.159 1.00 85.69 C +HETATM 131 C HYP A 21 10.946 -3.325 0.836 1.00 84.18 C +HETATM 132 O HYP A 21 10.909 -4.141 1.754 1.00 89.80 O +HETATM 133 CB HYP A 21 11.912 -1.192 1.733 1.00 83.30 C +HETATM 134 CG HYP A 21 11.397 -0.178 2.719 1.00 80.26 C +HETATM 135 CD HYP A 21 10.174 -0.870 3.307 1.00 86.34 C +HETATM 136 OD1 HYP A 21 10.970 0.983 2.019 1.00 81.09 O +ATOM 137 N GLY A 22 11.141 -3.627 -0.397 1.00 85.44 N +ATOM 138 CA GLY A 22 11.436 -4.968 -0.805 1.00 82.16 C +ATOM 139 C GLY A 22 12.846 -5.351 -0.376 1.00 82.00 C +ATOM 140 O GLY A 22 13.569 -4.538 0.196 1.00 82.17 O +ATOM 141 N PRO A 23 13.273 -6.587 -0.650 1.00 90.94 N +ATOM 142 CA PRO A 23 14.613 -7.025 -0.280 1.00 90.57 C +ATOM 143 C PRO A 23 15.650 -6.392 -1.190 1.00 89.80 C +ATOM 144 O PRO A 23 15.913 -6.891 -2.281 1.00 85.97 O +ATOM 145 CB PRO A 23 14.542 -8.539 -0.443 1.00 86.58 C +ATOM 146 CG PRO A 23 13.540 -8.721 -1.524 1.00 83.42 C +ATOM 147 CD PRO A 23 12.521 -7.635 -1.304 1.00 87.95 C +HETATM 148 N HYP A 24 16.141 -5.287 -0.870 1.00 92.85 N +HETATM 149 CA HYP A 24 16.779 -4.246 -1.793 1.00 88.94 C +HETATM 150 C HYP A 24 15.951 -3.412 -2.551 1.00 92.47 C +HETATM 151 O HYP A 24 16.170 -3.264 -3.846 1.00 92.63 O +HETATM 152 CB HYP A 24 17.793 -3.591 -0.890 1.00 86.64 C +HETATM 153 CG HYP A 24 17.992 -4.506 0.232 1.00 86.14 C +HETATM 154 CD HYP A 24 16.927 -5.560 0.246 1.00 90.09 C +HETATM 155 OD1 HYP A 24 19.031 -4.529 1.010 1.00 88.20 O +HETATM 156 OXT HYP A 24 15.779 -2.067 -2.291 1.00 88.35 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_564.txt b/protein_pdb_564.txt new file mode 100644 index 0000000000000000000000000000000000000000..875d119f5dfc60dc9afadd7b44bd66bf8752380e --- /dev/null +++ b/protein_pdb_564.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 -13.727 24.437 20.427 1.00 86.50 N +ATOM 2 CA GLY A 1 -13.607 24.857 19.038 1.00 88.93 C +ATOM 3 C GLY A 1 -13.931 23.730 18.082 1.00 88.82 C +ATOM 4 O GLY A 1 -14.157 22.595 18.503 1.00 85.51 O +ATOM 5 N PRO A 2 -13.959 24.000 16.783 1.00 92.72 N +ATOM 6 CA PRO A 2 -14.261 22.961 15.801 1.00 93.98 C +ATOM 7 C PRO A 2 -13.112 21.964 15.685 1.00 94.04 C +ATOM 8 O PRO A 2 -11.982 22.251 16.064 1.00 92.48 O +ATOM 9 CB PRO A 2 -14.451 23.742 14.499 1.00 91.66 C +ATOM 10 CG PRO A 2 -13.615 24.961 14.684 1.00 87.99 C +ATOM 11 CD PRO A 2 -13.677 25.281 16.152 1.00 89.78 C +HETATM 12 N HYP A 3 -13.417 20.825 15.216 1.00 93.86 N +HETATM 13 CA HYP A 3 -12.406 19.794 14.906 1.00 92.75 C +HETATM 14 C HYP A 3 -11.331 20.307 13.969 1.00 94.28 C +HETATM 15 O HYP A 3 -11.604 21.146 13.084 1.00 91.88 O +HETATM 16 CB HYP A 3 -13.205 18.665 14.315 1.00 90.88 C +HETATM 17 CG HYP A 3 -14.639 18.867 14.788 1.00 90.16 C +HETATM 18 CD HYP A 3 -14.756 20.379 14.830 1.00 93.29 C +HETATM 19 OD1 HYP A 3 -14.861 18.335 16.051 1.00 91.86 O +ATOM 20 N GLY A 4 -10.097 19.850 14.141 1.00 94.22 N +ATOM 21 CA GLY A 4 -9.020 20.210 13.245 1.00 93.49 C +ATOM 22 C GLY A 4 -9.175 19.551 11.880 1.00 93.51 C +ATOM 23 O GLY A 4 -10.065 18.720 11.675 1.00 93.09 O +ATOM 24 N PRO A 5 -8.310 19.931 10.953 1.00 94.92 N +ATOM 25 CA PRO A 5 -8.389 19.352 9.609 1.00 94.88 C +ATOM 26 C PRO A 5 -8.006 17.874 9.618 1.00 95.23 C +ATOM 27 O PRO A 5 -7.294 17.409 10.504 1.00 94.50 O +ATOM 28 CB PRO A 5 -7.392 20.175 8.802 1.00 93.15 C +ATOM 29 CG PRO A 5 -6.418 20.665 9.815 1.00 90.47 C +ATOM 30 CD PRO A 5 -7.203 20.863 11.085 1.00 92.56 C +HETATM 31 N HYP A 6 -8.499 17.160 8.640 1.00 93.68 N +HETATM 32 CA HYP A 6 -8.088 15.744 8.451 1.00 94.55 C +HETATM 33 C HYP A 6 -6.617 15.569 8.282 1.00 93.28 C +HETATM 34 O HYP A 6 -5.935 16.437 7.686 1.00 91.59 O +HETATM 35 CB HYP A 6 -8.873 15.315 7.207 1.00 90.86 C +HETATM 36 CG HYP A 6 -10.052 16.259 7.125 1.00 90.11 C +HETATM 37 CD HYP A 6 -9.477 17.541 7.669 1.00 92.14 C +HETATM 38 OD1 HYP A 6 -11.115 15.814 7.929 1.00 89.50 O +ATOM 39 N GLY A 7 -6.037 14.492 8.822 1.00 94.91 N +ATOM 40 CA GLY A 7 -4.630 14.200 8.646 1.00 94.26 C +ATOM 41 C GLY A 7 -4.310 13.818 7.211 1.00 94.43 C +ATOM 42 O GLY A 7 -5.200 13.632 6.379 1.00 94.02 O +ATOM 43 N PRO A 8 -3.019 13.696 6.916 1.00 93.21 N +ATOM 44 CA PRO A 8 -2.613 13.301 5.567 1.00 93.55 C +ATOM 45 C PRO A 8 -2.986 11.849 5.280 1.00 93.51 C +ATOM 46 O PRO A 8 -3.132 11.040 6.194 1.00 92.75 O +ATOM 47 CB PRO A 8 -1.102 13.494 5.584 1.00 92.17 C +ATOM 48 CG PRO A 8 -0.733 13.322 7.016 1.00 91.10 C +ATOM 49 CD PRO A 8 -1.885 13.863 7.812 1.00 92.70 C +HETATM 50 N HYP A 9 -3.109 11.496 4.056 1.00 91.15 N +HETATM 51 CA HYP A 9 -3.357 10.122 3.606 1.00 91.47 C +HETATM 52 C HYP A 9 -2.261 9.192 4.001 1.00 92.67 C +HETATM 53 O HYP A 9 -1.093 9.611 4.049 1.00 87.58 O +HETATM 54 CB HYP A 9 -3.416 10.215 2.048 1.00 90.38 C +HETATM 55 CG HYP A 9 -3.818 11.632 1.815 1.00 89.07 C +HETATM 56 CD HYP A 9 -3.156 12.382 2.946 1.00 91.22 C +HETATM 57 OD1 HYP A 9 -5.224 11.756 1.927 1.00 85.46 O +ATOM 58 N GLY A 10 -2.562 7.950 4.328 1.00 92.31 N +ATOM 59 CA GLY A 10 -1.557 6.956 4.631 1.00 90.07 C +ATOM 60 C GLY A 10 -0.705 6.617 3.417 1.00 90.11 C +ATOM 61 O GLY A 10 -1.024 6.966 2.278 1.00 89.63 O +ATOM 62 N PHE A 11 0.402 5.920 3.684 1.00 89.54 N +ATOM 63 CA PHE A 11 1.292 5.499 2.609 1.00 88.89 C +ATOM 64 C PHE A 11 0.669 4.377 1.791 1.00 88.73 C +ATOM 65 O PHE A 11 -0.076 3.540 2.306 1.00 87.02 O +ATOM 66 CB PHE A 11 2.618 4.986 3.170 1.00 86.16 C +ATOM 67 CG PHE A 11 3.452 6.032 3.880 1.00 81.58 C +ATOM 68 CD1 PHE A 11 3.306 7.373 3.609 1.00 78.55 C +ATOM 69 CD2 PHE A 11 4.404 5.646 4.810 1.00 76.53 C +ATOM 70 CE1 PHE A 11 4.083 8.327 4.255 1.00 74.51 C +ATOM 71 CE2 PHE A 11 5.189 6.585 5.455 1.00 74.59 C +ATOM 72 CZ PHE A 11 5.040 7.925 5.180 1.00 75.69 C +ATOM 73 N LEU A 12 1.001 4.351 0.497 1.00 89.46 N +ATOM 74 CA LEU A 12 0.655 3.220 -0.346 1.00 89.59 C +ATOM 75 C LEU A 12 1.353 1.965 0.191 1.00 89.64 C +ATOM 76 O LEU A 12 2.493 2.034 0.655 1.00 86.15 O +ATOM 77 CB LEU A 12 1.075 3.501 -1.794 1.00 85.88 C +ATOM 78 CG LEU A 12 0.679 2.478 -2.857 1.00 78.98 C +ATOM 79 CD1 LEU A 12 -0.821 2.381 -3.003 1.00 76.73 C +ATOM 80 CD2 LEU A 12 1.307 2.846 -4.194 1.00 72.80 C +ATOM 81 N GLY A 13 0.646 0.844 0.148 1.00 90.98 N +ATOM 82 CA GLY A 13 1.223 -0.395 0.630 1.00 89.69 C +ATOM 83 C GLY A 13 2.399 -0.869 -0.194 1.00 90.13 C +ATOM 84 O GLY A 13 2.666 -0.359 -1.286 1.00 90.65 O +ATOM 85 N PRO A 14 3.150 -1.856 0.327 1.00 90.74 N +ATOM 86 CA PRO A 14 4.305 -2.378 -0.396 1.00 91.58 C +ATOM 87 C PRO A 14 3.885 -3.127 -1.651 1.00 92.10 C +ATOM 88 O PRO A 14 2.756 -3.600 -1.759 1.00 90.87 O +ATOM 89 CB PRO A 14 4.972 -3.312 0.611 1.00 89.61 C +ATOM 90 CG PRO A 14 3.853 -3.746 1.488 1.00 88.84 C +ATOM 91 CD PRO A 14 2.927 -2.563 1.586 1.00 89.93 C +HETATM 92 N HYP A 15 4.804 -3.262 -2.569 1.00 87.58 N +HETATM 93 CA HYP A 15 4.595 -4.058 -3.787 1.00 88.27 C +HETATM 94 C HYP A 15 4.260 -5.502 -3.474 1.00 92.98 C +HETATM 95 O HYP A 15 4.668 -6.028 -2.416 1.00 79.98 O +HETATM 96 CB HYP A 15 5.955 -3.938 -4.479 1.00 88.08 C +HETATM 97 CG HYP A 15 6.547 -2.661 -3.935 1.00 82.51 C +HETATM 98 CD HYP A 15 6.059 -2.620 -2.533 1.00 86.08 C +HETATM 99 OD1 HYP A 15 6.055 -1.529 -4.629 1.00 86.82 O +ATOM 100 N GLY A 16 3.515 -6.136 -4.315 1.00 93.61 N +ATOM 101 CA GLY A 16 3.262 -7.547 -4.161 1.00 92.17 C +ATOM 102 C GLY A 16 4.518 -8.370 -4.400 1.00 92.30 C +ATOM 103 O GLY A 16 5.551 -7.851 -4.837 1.00 92.49 O +ATOM 104 N PRO A 17 4.437 -9.672 -4.112 1.00 91.51 N +ATOM 105 CA PRO A 17 5.601 -10.531 -4.311 1.00 91.68 C +ATOM 106 C PRO A 17 5.924 -10.698 -5.790 1.00 91.71 C +ATOM 107 O PRO A 17 5.051 -10.589 -6.637 1.00 91.03 O +ATOM 108 CB PRO A 17 5.182 -11.861 -3.678 1.00 88.89 C +ATOM 109 CG PRO A 17 3.703 -11.844 -3.753 1.00 86.80 C +ATOM 110 CD PRO A 17 3.283 -10.402 -3.608 1.00 88.68 C +HETATM 111 N HYP A 18 7.169 -10.995 -6.096 1.00 91.87 N +HETATM 112 CA HYP A 18 7.594 -11.256 -7.453 1.00 89.95 C +HETATM 113 C HYP A 18 6.885 -12.455 -8.061 1.00 91.98 C +HETATM 114 O HYP A 18 6.508 -13.398 -7.336 1.00 90.09 O +HETATM 115 CB HYP A 18 9.080 -11.542 -7.321 1.00 90.86 C +HETATM 116 CG HYP A 18 9.515 -10.873 -6.063 1.00 88.01 C +HETATM 117 CD HYP A 18 8.282 -10.995 -5.191 1.00 90.77 C +HETATM 118 OD1 HYP A 18 9.786 -9.500 -6.286 1.00 89.02 O +ATOM 119 N GLY A 19 6.611 -12.417 -9.339 1.00 92.32 N +ATOM 120 CA GLY A 19 6.037 -13.542 -10.024 1.00 91.65 C +ATOM 121 C GLY A 19 7.007 -14.709 -10.093 1.00 92.02 C +ATOM 122 O GLY A 19 8.191 -14.578 -9.785 1.00 91.84 O +ATOM 123 N PRO A 20 6.503 -15.873 -10.489 1.00 90.40 N +ATOM 124 CA PRO A 20 7.369 -17.048 -10.585 1.00 89.69 C +ATOM 125 C PRO A 20 8.344 -16.918 -11.747 1.00 89.52 C +ATOM 126 O PRO A 20 8.114 -16.160 -12.688 1.00 88.23 O +ATOM 127 CB PRO A 20 6.382 -18.191 -10.804 1.00 86.98 C +ATOM 128 CG PRO A 20 5.209 -17.545 -11.446 1.00 84.83 C +ATOM 129 CD PRO A 20 5.129 -16.154 -10.880 1.00 86.95 C +HETATM 130 N HYP A 21 9.440 -17.650 -11.713 1.00 93.45 N +HETATM 131 CA HYP A 21 10.400 -17.697 -12.793 1.00 91.48 C +HETATM 132 C HYP A 21 9.797 -18.165 -14.105 1.00 93.59 C +HETATM 133 O HYP A 21 8.868 -18.976 -14.093 1.00 91.80 O +HETATM 134 CB HYP A 21 11.462 -18.709 -12.304 1.00 91.22 C +HETATM 135 CG HYP A 21 11.384 -18.660 -10.786 1.00 89.75 C +HETATM 136 CD HYP A 21 9.907 -18.413 -10.545 1.00 92.24 C +HETATM 137 OD1 HYP A 21 12.117 -17.557 -10.261 1.00 90.48 O +ATOM 138 N GLY A 22 10.224 -17.628 -15.243 1.00 88.22 N +ATOM 139 CA GLY A 22 9.753 -18.059 -16.532 1.00 87.75 C +ATOM 140 C GLY A 22 10.153 -19.495 -16.830 1.00 88.20 C +ATOM 141 O GLY A 22 10.962 -20.091 -16.118 1.00 86.62 O +ATOM 142 N PRO A 23 9.609 -20.073 -17.906 1.00 90.44 N +ATOM 143 CA PRO A 23 9.934 -21.451 -18.256 1.00 90.55 C +ATOM 144 C PRO A 23 11.365 -21.558 -18.752 1.00 90.04 C +ATOM 145 O PRO A 23 11.928 -20.606 -19.283 1.00 86.37 O +ATOM 146 CB PRO A 23 8.927 -21.795 -19.345 1.00 86.28 C +ATOM 147 CG PRO A 23 8.608 -20.485 -19.962 1.00 81.69 C +ATOM 148 CD PRO A 23 8.672 -19.473 -18.850 1.00 85.77 C +HETATM 149 N HYP A 24 11.975 -22.723 -18.650 1.00 92.25 N +HETATM 150 CA HYP A 24 13.361 -22.863 -19.153 1.00 88.04 C +HETATM 151 C HYP A 24 13.377 -22.681 -20.657 1.00 91.08 C +HETATM 152 O HYP A 24 14.283 -22.068 -21.143 1.00 89.69 O +HETATM 153 CB HYP A 24 13.701 -24.376 -18.836 1.00 90.66 C +HETATM 154 CG HYP A 24 12.749 -24.818 -17.793 1.00 89.50 C +HETATM 155 CD HYP A 24 11.502 -23.951 -18.015 1.00 91.49 C +HETATM 156 OD1 HYP A 24 13.285 -24.498 -16.516 1.00 85.40 O +HETATM 157 OXT HYP A 24 12.447 -23.194 -21.330 1.00 83.07 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_565.txt b/protein_pdb_565.txt new file mode 100644 index 0000000000000000000000000000000000000000..061e8c286d85b7d76263c536fffbf4ce02882318 --- /dev/null +++ b/protein_pdb_565.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 14.275 -0.583 -7.854 1.00 91.00 N +ATOM 2 CA GLY A 1 13.079 0.136 -8.137 1.00 92.42 C +ATOM 3 C GLY A 1 12.514 0.872 -6.949 1.00 93.30 C +ATOM 4 O GLY A 1 12.861 0.601 -5.806 1.00 91.40 O +ATOM 5 N PRO A 2 11.675 1.748 -7.215 1.00 93.11 N +ATOM 6 CA PRO A 2 11.030 2.504 -6.157 1.00 93.68 C +ATOM 7 C PRO A 2 10.010 1.658 -5.416 1.00 93.84 C +ATOM 8 O PRO A 2 9.618 0.588 -5.872 1.00 92.22 O +ATOM 9 CB PRO A 2 10.351 3.645 -6.911 1.00 90.96 C +ATOM 10 CG PRO A 2 10.065 3.052 -8.245 1.00 87.63 C +ATOM 11 CD PRO A 2 11.219 2.143 -8.538 1.00 90.88 C +HETATM 12 N HYP A 3 9.618 2.166 -4.278 1.00 93.35 N +HETATM 13 CA HYP A 3 8.575 1.462 -3.521 1.00 90.67 C +HETATM 14 C HYP A 3 7.300 1.375 -4.308 1.00 92.77 C +HETATM 15 O HYP A 3 7.023 2.251 -5.151 1.00 93.55 O +HETATM 16 CB HYP A 3 8.388 2.408 -2.299 1.00 90.54 C +HETATM 17 CG HYP A 3 9.716 3.105 -2.150 1.00 87.53 C +HETATM 18 CD HYP A 3 10.153 3.303 -3.620 1.00 90.72 C +HETATM 19 OD1 HYP A 3 10.610 2.235 -1.528 1.00 89.46 O +ATOM 20 N GLY A 4 6.588 0.300 -4.075 1.00 93.41 N +ATOM 21 CA GLY A 4 5.321 0.129 -4.726 1.00 92.96 C +ATOM 22 C GLY A 4 4.305 1.142 -4.242 1.00 93.72 C +ATOM 23 O GLY A 4 4.536 1.861 -3.270 1.00 93.90 O +ATOM 24 N PRO A 5 3.162 1.215 -4.912 1.00 94.11 N +ATOM 25 CA PRO A 5 2.126 2.161 -4.518 1.00 94.26 C +ATOM 26 C PRO A 5 1.473 1.763 -3.210 1.00 94.13 C +ATOM 27 O PRO A 5 1.548 0.616 -2.787 1.00 92.62 O +ATOM 28 CB PRO A 5 1.135 2.099 -5.679 1.00 92.37 C +ATOM 29 CG PRO A 5 1.305 0.726 -6.216 1.00 90.83 C +ATOM 30 CD PRO A 5 2.760 0.405 -6.062 1.00 93.43 C +HETATM 31 N HYP A 6 0.833 2.753 -2.570 1.00 93.39 N +HETATM 32 CA HYP A 6 0.100 2.462 -1.371 1.00 93.87 C +HETATM 33 C HYP A 6 -1.001 1.465 -1.618 1.00 93.68 C +HETATM 34 O HYP A 6 -1.570 1.411 -2.731 1.00 92.64 O +HETATM 35 CB HYP A 6 -0.522 3.849 -1.026 1.00 90.24 C +HETATM 36 CG HYP A 6 0.430 4.839 -1.642 1.00 89.10 C +HETATM 37 CD HYP A 6 0.808 4.146 -2.941 1.00 92.28 C +HETATM 38 OD1 HYP A 6 1.563 4.965 -0.831 1.00 89.07 O +ATOM 39 N GLY A 7 -1.243 0.651 -0.643 1.00 93.33 N +ATOM 40 CA GLY A 7 -2.317 -0.298 -0.733 1.00 92.47 C +ATOM 41 C GLY A 7 -3.660 0.399 -0.821 1.00 93.42 C +ATOM 42 O GLY A 7 -3.771 1.609 -0.640 1.00 93.33 O +ATOM 43 N PRO A 8 -4.689 -0.370 -1.102 1.00 94.43 N +ATOM 44 CA PRO A 8 -6.018 0.216 -1.227 1.00 94.58 C +ATOM 45 C PRO A 8 -6.560 0.659 0.123 1.00 94.52 C +ATOM 46 O PRO A 8 -6.178 0.149 1.164 1.00 92.53 O +ATOM 47 CB PRO A 8 -6.857 -0.920 -1.809 1.00 92.47 C +ATOM 48 CG PRO A 8 -6.169 -2.149 -1.338 1.00 90.76 C +ATOM 49 CD PRO A 8 -4.702 -1.816 -1.323 1.00 93.31 C +HETATM 50 N HYP A 9 -7.491 1.597 0.073 1.00 91.98 N +HETATM 51 CA HYP A 9 -8.139 2.054 1.263 1.00 92.19 C +HETATM 52 C HYP A 9 -9.054 0.962 1.784 1.00 93.39 C +HETATM 53 O HYP A 9 -9.629 0.194 1.013 1.00 91.58 O +HETATM 54 CB HYP A 9 -9.056 3.210 0.731 1.00 88.41 C +HETATM 55 CG HYP A 9 -8.428 3.632 -0.554 1.00 87.61 C +HETATM 56 CD HYP A 9 -7.862 2.393 -1.111 1.00 91.21 C +HETATM 57 OD1 HYP A 9 -7.378 4.526 -0.285 1.00 87.79 O +ATOM 58 N GLY A 10 -9.169 0.815 3.068 1.00 92.61 N +ATOM 59 CA GLY A 10 -10.197 -0.021 3.643 1.00 90.41 C +ATOM 60 C GLY A 10 -11.539 0.689 3.571 1.00 91.09 C +ATOM 61 O GLY A 10 -11.643 1.822 3.106 1.00 89.95 O +ATOM 62 N ASP A 11 -12.570 0.018 4.045 1.00 91.78 N +ATOM 63 CA ASP A 11 -13.884 0.660 4.070 1.00 92.24 C +ATOM 64 C ASP A 11 -13.853 1.929 4.918 1.00 92.40 C +ATOM 65 O ASP A 11 -14.525 2.907 4.594 1.00 89.96 O +ATOM 66 CB ASP A 11 -14.933 -0.293 4.622 1.00 89.59 C +ATOM 67 CG ASP A 11 -15.245 -1.427 3.665 1.00 84.33 C +ATOM 68 OD1 ASP A 11 -15.072 -1.257 2.445 1.00 83.01 O +ATOM 69 OD2 ASP A 11 -15.682 -2.497 4.149 1.00 80.36 O +ATOM 70 N TRP A 12 -13.063 1.885 5.983 1.00 92.73 N +ATOM 71 CA TRP A 12 -12.958 3.004 6.912 1.00 92.98 C +ATOM 72 C TRP A 12 -11.525 3.391 7.232 1.00 92.02 C +ATOM 73 O TRP A 12 -11.306 4.316 8.004 1.00 89.20 O +ATOM 74 CB TRP A 12 -13.689 2.670 8.209 1.00 91.31 C +ATOM 75 CG TRP A 12 -15.141 2.390 8.025 1.00 88.21 C +ATOM 76 CD1 TRP A 12 -15.730 1.176 7.902 1.00 88.23 C +ATOM 77 CD2 TRP A 12 -16.188 3.361 7.925 1.00 86.50 C +ATOM 78 NE1 TRP A 12 -17.089 1.310 7.737 1.00 82.03 N +ATOM 79 CE2 TRP A 12 -17.395 2.650 7.749 1.00 85.58 C +ATOM 80 CE3 TRP A 12 -16.232 4.755 7.968 1.00 82.58 C +ATOM 81 CZ2 TRP A 12 -18.619 3.285 7.615 1.00 85.08 C +ATOM 82 CZ3 TRP A 12 -17.439 5.374 7.839 1.00 80.15 C +ATOM 83 CH2 TRP A 12 -18.615 4.658 7.668 1.00 78.62 C +ATOM 84 N GLY A 13 -10.576 2.676 6.700 1.00 93.31 N +ATOM 85 CA GLY A 13 -9.201 2.835 7.107 1.00 92.34 C +ATOM 86 C GLY A 13 -8.334 3.550 6.101 1.00 93.13 C +ATOM 87 O GLY A 13 -8.748 3.822 4.974 1.00 92.72 O +ATOM 88 N PRO A 14 -7.120 3.860 6.523 1.00 94.12 N +ATOM 89 CA PRO A 14 -6.167 4.504 5.637 1.00 94.05 C +ATOM 90 C PRO A 14 -5.672 3.535 4.576 1.00 94.31 C +ATOM 91 O PRO A 14 -5.873 2.331 4.668 1.00 93.18 O +ATOM 92 CB PRO A 14 -5.036 4.913 6.575 1.00 92.27 C +ATOM 93 CG PRO A 14 -5.071 3.875 7.636 1.00 91.09 C +ATOM 94 CD PRO A 14 -6.526 3.552 7.833 1.00 92.24 C +HETATM 95 N HYP A 15 -5.001 4.110 3.624 1.00 92.85 N +HETATM 96 CA HYP A 15 -4.373 3.265 2.618 1.00 94.05 C +HETATM 97 C HYP A 15 -3.356 2.367 3.228 1.00 94.35 C +HETATM 98 O HYP A 15 -2.789 2.707 4.303 1.00 92.73 O +HETATM 99 CB HYP A 15 -3.714 4.365 1.741 1.00 89.53 C +HETATM 100 CG HYP A 15 -4.544 5.616 1.978 1.00 87.98 C +HETATM 101 CD HYP A 15 -4.890 5.523 3.433 1.00 91.21 C +HETATM 102 OD1 HYP A 15 -5.725 5.574 1.229 1.00 88.28 O +ATOM 103 N GLY A 16 -3.181 1.224 2.635 1.00 94.72 N +ATOM 104 CA GLY A 16 -2.170 0.315 3.101 1.00 94.49 C +ATOM 105 C GLY A 16 -0.787 0.891 2.898 1.00 94.92 C +ATOM 106 O GLY A 16 -0.612 1.925 2.256 1.00 94.49 O +ATOM 107 N PRO A 17 0.209 0.214 3.456 1.00 92.94 N +ATOM 108 CA PRO A 17 1.577 0.690 3.318 1.00 92.95 C +ATOM 109 C PRO A 17 2.072 0.526 1.895 1.00 93.42 C +ATOM 110 O PRO A 17 1.545 -0.266 1.121 1.00 91.93 O +ATOM 111 CB PRO A 17 2.362 -0.187 4.286 1.00 91.03 C +ATOM 112 CG PRO A 17 1.571 -1.434 4.357 1.00 89.68 C +ATOM 113 CD PRO A 17 0.136 -1.022 4.225 1.00 91.76 C +HETATM 114 N HYP A 18 3.095 1.302 1.562 1.00 91.45 N +HETATM 115 CA HYP A 18 3.714 1.138 0.304 1.00 91.89 C +HETATM 116 C HYP A 18 4.279 -0.236 0.110 1.00 92.17 C +HETATM 117 O HYP A 18 4.671 -0.898 1.090 1.00 91.02 O +HETATM 118 CB HYP A 18 4.874 2.157 0.369 1.00 88.16 C +HETATM 119 CG HYP A 18 4.382 3.213 1.328 1.00 86.85 C +HETATM 120 CD HYP A 18 3.628 2.369 2.345 1.00 91.09 C +HETATM 121 OD1 HYP A 18 3.480 4.081 0.668 1.00 87.39 O +ATOM 122 N GLY A 19 4.266 -0.699 -1.100 1.00 91.13 N +ATOM 123 CA GLY A 19 4.850 -1.964 -1.417 1.00 90.78 C +ATOM 124 C GLY A 19 6.354 -1.936 -1.246 1.00 91.51 C +ATOM 125 O GLY A 19 6.953 -0.876 -1.062 1.00 92.17 O +ATOM 126 N PRO A 20 6.975 -3.104 -1.295 1.00 89.20 N +ATOM 127 CA PRO A 20 8.419 -3.166 -1.148 1.00 90.05 C +ATOM 128 C PRO A 20 9.119 -2.574 -2.357 1.00 90.14 C +ATOM 129 O PRO A 20 8.539 -2.444 -3.429 1.00 89.82 O +ATOM 130 CB PRO A 20 8.689 -4.663 -1.026 1.00 87.49 C +ATOM 131 CG PRO A 20 7.562 -5.291 -1.756 1.00 84.46 C +ATOM 132 CD PRO A 20 6.375 -4.408 -1.517 1.00 87.93 C +HETATM 133 N HYP A 21 10.368 -2.217 -2.130 1.00 90.48 N +HETATM 134 CA HYP A 21 11.151 -1.727 -3.227 1.00 88.67 C +HETATM 135 C HYP A 21 11.256 -2.716 -4.361 1.00 91.07 C +HETATM 136 O HYP A 21 11.305 -3.919 -4.123 1.00 91.58 O +HETATM 137 CB HYP A 21 12.527 -1.487 -2.617 1.00 87.86 C +HETATM 138 CG HYP A 21 12.260 -1.268 -1.155 1.00 84.33 C +HETATM 139 CD HYP A 21 11.102 -2.206 -0.880 1.00 89.64 C +HETATM 140 OD1 HYP A 21 11.799 0.077 -0.965 1.00 85.85 O +ATOM 141 N GLY A 22 11.187 -2.234 -5.579 1.00 90.63 N +ATOM 142 CA GLY A 22 11.368 -3.063 -6.730 1.00 88.96 C +ATOM 143 C GLY A 22 12.819 -3.475 -6.876 1.00 89.63 C +ATOM 144 O GLY A 22 13.686 -3.016 -6.129 1.00 89.38 O +ATOM 145 N PRO A 23 13.113 -4.339 -7.835 1.00 91.72 N +ATOM 146 CA PRO A 23 14.488 -4.767 -8.051 1.00 91.96 C +ATOM 147 C PRO A 23 15.297 -3.639 -8.668 1.00 90.73 C +ATOM 148 O PRO A 23 15.065 -3.255 -9.807 1.00 87.11 O +ATOM 149 CB PRO A 23 14.342 -5.953 -9.001 1.00 88.81 C +ATOM 150 CG PRO A 23 13.085 -5.679 -9.733 1.00 85.93 C +ATOM 151 CD PRO A 23 12.183 -4.958 -8.760 1.00 90.12 C +HETATM 152 N HYP A 24 16.123 -3.029 -7.930 1.00 94.65 N +HETATM 153 CA HYP A 24 16.680 -1.646 -8.147 1.00 89.33 C +HETATM 154 C HYP A 24 15.962 -0.547 -8.247 1.00 93.57 C +HETATM 155 O HYP A 24 16.156 0.560 -7.589 1.00 93.09 O +HETATM 156 CB HYP A 24 18.106 -1.723 -7.872 1.00 88.91 C +HETATM 157 CG HYP A 24 18.436 -3.195 -8.030 1.00 86.65 C +HETATM 158 CD HYP A 24 17.111 -3.948 -7.705 1.00 90.68 C +HETATM 159 OD1 HYP A 24 19.421 -3.596 -7.132 1.00 88.02 O +HETATM 160 OXT HYP A 24 15.513 -0.130 -9.395 1.00 89.53 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_566.txt b/protein_pdb_566.txt new file mode 100644 index 0000000000000000000000000000000000000000..efe29453297deee0dfac8b50c0952b366ece2ae2 --- /dev/null +++ b/protein_pdb_566.txt @@ -0,0 +1,148 @@ +ATOM 1 N GLY A 1 10.915 2.142 -9.479 1.00 71.93 N +ATOM 2 CA GLY A 1 10.208 3.071 -8.674 1.00 72.22 C +ATOM 3 C GLY A 1 10.050 2.655 -7.215 1.00 73.61 C +ATOM 4 O GLY A 1 10.331 1.514 -6.859 1.00 70.45 O +ATOM 5 N PRO A 2 9.584 3.543 -6.348 1.00 72.74 N +ATOM 6 CA PRO A 2 9.392 3.294 -4.929 1.00 73.47 C +ATOM 7 C PRO A 2 8.138 2.472 -4.654 1.00 72.91 C +ATOM 8 O PRO A 2 7.303 2.274 -5.529 1.00 69.83 O +ATOM 9 CB PRO A 2 9.259 4.706 -4.354 1.00 70.44 C +ATOM 10 CG PRO A 2 8.628 5.466 -5.467 1.00 67.85 C +ATOM 11 CD PRO A 2 9.255 4.915 -6.719 1.00 67.31 C +HETATM 12 N HYP A 3 8.015 1.991 -3.359 1.00 70.27 N +HETATM 13 CA HYP A 3 6.792 1.283 -3.035 1.00 73.05 C +HETATM 14 C HYP A 3 5.587 2.133 -3.245 1.00 73.25 C +HETATM 15 O HYP A 3 5.667 3.381 -3.149 1.00 77.25 O +HETATM 16 CB HYP A 3 6.998 0.991 -1.529 1.00 72.19 C +HETATM 17 CG HYP A 3 8.473 0.909 -1.381 1.00 65.88 C +HETATM 18 CD HYP A 3 8.952 2.006 -2.313 1.00 70.63 C +HETATM 19 OD1 HYP A 3 8.905 -0.330 -1.845 1.00 70.31 O +ATOM 20 N GLY A 4 4.517 1.476 -3.629 1.00 77.92 N +ATOM 21 CA GLY A 4 3.269 2.159 -3.819 1.00 77.27 C +ATOM 22 C GLY A 4 2.756 2.719 -2.504 1.00 78.61 C +ATOM 23 O GLY A 4 3.272 2.389 -1.431 1.00 75.99 O +ATOM 24 N PRO A 5 1.744 3.559 -2.568 1.00 77.12 N +ATOM 25 CA PRO A 5 1.185 4.150 -1.360 1.00 76.38 C +ATOM 26 C PRO A 5 0.423 3.122 -0.542 1.00 76.71 C +ATOM 27 O PRO A 5 0.014 2.087 -1.044 1.00 74.55 O +ATOM 28 CB PRO A 5 0.264 5.238 -1.894 1.00 73.71 C +ATOM 29 CG PRO A 5 -0.159 4.717 -3.226 1.00 72.22 C +ATOM 30 CD PRO A 5 1.050 4.018 -3.774 1.00 71.95 C +HETATM 31 N HYP A 6 0.238 3.412 0.735 1.00 75.15 N +HETATM 32 CA HYP A 6 -0.580 2.558 1.568 1.00 79.27 C +HETATM 33 C HYP A 6 -1.974 2.417 1.057 1.00 76.66 C +HETATM 34 O HYP A 6 -2.541 3.380 0.467 1.00 78.45 O +HETATM 35 CB HYP A 6 -0.584 3.371 2.870 1.00 76.10 C +HETATM 36 CG HYP A 6 0.673 4.152 2.823 1.00 74.19 C +HETATM 37 CD HYP A 6 0.786 4.508 1.399 1.00 76.35 C +HETATM 38 OD1 HYP A 6 1.755 3.330 3.189 1.00 77.75 O +ATOM 39 N GLY A 7 -2.485 1.234 1.187 1.00 80.23 N +ATOM 40 CA GLY A 7 -3.834 0.977 0.770 1.00 78.28 C +ATOM 41 C GLY A 7 -4.816 1.724 1.655 1.00 79.31 C +ATOM 42 O GLY A 7 -4.445 2.297 2.680 1.00 77.27 O +ATOM 43 N PRO A 8 -6.068 1.714 1.273 1.00 74.90 N +ATOM 44 CA PRO A 8 -7.082 2.402 2.063 1.00 73.66 C +ATOM 45 C PRO A 8 -7.368 1.667 3.366 1.00 73.64 C +ATOM 46 O PRO A 8 -7.093 0.476 3.504 1.00 70.62 O +ATOM 47 CB PRO A 8 -8.296 2.399 1.145 1.00 70.58 C +ATOM 48 CG PRO A 8 -8.112 1.170 0.327 1.00 70.41 C +ATOM 49 CD PRO A 8 -6.624 1.082 0.095 1.00 70.88 C +HETATM 50 N HYP A 9 -7.956 2.371 4.320 1.00 70.76 N +HETATM 51 CA HYP A 9 -8.369 1.766 5.530 1.00 72.49 C +HETATM 52 C HYP A 9 -9.439 0.731 5.286 1.00 69.39 C +HETATM 53 O HYP A 9 -10.203 0.846 4.359 1.00 71.94 O +HETATM 54 CB HYP A 9 -8.998 2.943 6.230 1.00 67.96 C +HETATM 55 CG HYP A 9 -8.281 4.092 5.733 1.00 64.35 C +HETATM 56 CD HYP A 9 -8.091 3.769 4.322 1.00 66.50 C +HETATM 57 OD1 HYP A 9 -7.030 4.196 6.347 1.00 66.35 O +ATOM 58 N GLY A 10 -9.440 -0.294 6.093 1.00 73.56 N +ATOM 59 CA GLY A 10 -10.374 -1.385 5.956 1.00 70.75 C +ATOM 60 C GLY A 10 -11.724 -1.083 6.576 1.00 71.49 C +ATOM 61 O GLY A 10 -12.238 -1.897 7.340 1.00 67.26 O +ATOM 62 N GLY A 11 -12.272 0.067 6.274 1.00 64.46 N +ATOM 63 CA GLY A 11 -13.550 0.460 6.849 1.00 65.86 C +ATOM 64 C GLY A 11 -13.393 0.953 8.276 1.00 66.58 C +ATOM 65 O GLY A 11 -14.223 0.660 9.140 1.00 61.64 O +ATOM 66 N GLY A 12 -12.316 1.699 8.519 1.00 66.78 N +ATOM 67 CA GLY A 12 -11.991 2.176 9.849 1.00 66.88 C +ATOM 68 C GLY A 12 -10.737 1.536 10.397 1.00 67.75 C +ATOM 69 O GLY A 12 -10.175 2.001 11.390 1.00 61.50 O +ATOM 70 N GLY A 13 -10.285 0.482 9.742 1.00 69.70 N +ATOM 71 CA GLY A 13 -9.073 -0.194 10.156 1.00 69.20 C +ATOM 72 C GLY A 13 -7.829 0.519 9.669 1.00 71.38 C +ATOM 73 O GLY A 13 -7.900 1.615 9.116 1.00 69.16 O +ATOM 74 N PRO A 14 -6.669 -0.078 9.889 1.00 73.20 N +ATOM 75 CA PRO A 14 -5.408 0.543 9.492 1.00 73.68 C +ATOM 76 C PRO A 14 -5.261 0.600 7.984 1.00 74.10 C +ATOM 77 O PRO A 14 -5.906 -0.143 7.255 1.00 70.51 O +ATOM 78 CB PRO A 14 -4.345 -0.368 10.117 1.00 70.61 C +ATOM 79 CG PRO A 14 -5.008 -1.691 10.182 1.00 69.97 C +ATOM 80 CD PRO A 14 -6.450 -1.392 10.500 1.00 69.76 C +HETATM 81 N HYP A 15 -4.407 1.499 7.542 1.00 74.76 N +HETATM 82 CA HYP A 15 -4.087 1.537 6.155 1.00 79.35 C +HETATM 83 C HYP A 15 -3.574 0.234 5.662 1.00 77.65 C +HETATM 84 O HYP A 15 -2.954 -0.512 6.446 1.00 77.92 O +HETATM 85 CB HYP A 15 -3.036 2.649 6.138 1.00 76.71 C +HETATM 86 CG HYP A 15 -3.401 3.471 7.313 1.00 70.84 C +HETATM 87 CD HYP A 15 -3.791 2.470 8.323 1.00 73.99 C +HETATM 88 OD1 HYP A 15 -4.455 4.332 7.022 1.00 76.44 O +ATOM 89 N GLY A 16 -3.849 -0.046 4.420 1.00 81.92 N +ATOM 90 CA GLY A 16 -3.336 -1.241 3.814 1.00 80.69 C +ATOM 91 C GLY A 16 -1.828 -1.163 3.664 1.00 82.02 C +ATOM 92 O GLY A 16 -1.217 -0.124 3.889 1.00 80.80 O +ATOM 93 N PRO A 17 -1.218 -2.275 3.295 1.00 82.64 N +ATOM 94 CA PRO A 17 0.227 -2.301 3.130 1.00 81.26 C +ATOM 95 C PRO A 17 0.663 -1.498 1.915 1.00 81.80 C +ATOM 96 O PRO A 17 -0.119 -1.262 1.004 1.00 79.03 O +ATOM 97 CB PRO A 17 0.539 -3.786 2.962 1.00 79.19 C +ATOM 98 CG PRO A 17 -0.705 -4.338 2.364 1.00 79.45 C +ATOM 99 CD PRO A 17 -1.829 -3.571 3.002 1.00 79.40 C +HETATM 100 N HYP A 18 1.917 -1.089 1.901 1.00 83.46 N +HETATM 101 CA HYP A 18 2.447 -0.430 0.770 1.00 84.95 C +HETATM 102 C HYP A 18 2.396 -1.288 -0.454 1.00 84.98 C +HETATM 103 O HYP A 18 2.481 -2.534 -0.378 1.00 83.57 O +HETATM 104 CB HYP A 18 3.902 -0.259 1.202 1.00 84.01 C +HETATM 105 CG HYP A 18 3.839 -0.244 2.672 1.00 81.16 C +HETATM 106 CD HYP A 18 2.778 -1.240 2.978 1.00 82.86 C +HETATM 107 OD1 HYP A 18 3.419 1.033 3.138 1.00 81.11 O +ATOM 108 N GLY A 19 2.188 -0.640 -1.585 1.00 84.90 N +ATOM 109 CA GLY A 19 2.188 -1.333 -2.842 1.00 84.08 C +ATOM 110 C GLY A 19 3.587 -1.798 -3.203 1.00 85.11 C +ATOM 111 O GLY A 19 4.566 -1.444 -2.540 1.00 83.42 O +ATOM 112 N PRO A 20 3.694 -2.591 -4.232 1.00 82.02 N +ATOM 113 CA PRO A 20 4.991 -3.093 -4.647 1.00 81.68 C +ATOM 114 C PRO A 20 5.830 -2.001 -5.301 1.00 81.91 C +ATOM 115 O PRO A 20 5.313 -0.980 -5.722 1.00 79.11 O +ATOM 116 CB PRO A 20 4.636 -4.188 -5.642 1.00 79.40 C +ATOM 117 CG PRO A 20 3.347 -3.725 -6.223 1.00 79.13 C +ATOM 118 CD PRO A 20 2.614 -3.067 -5.080 1.00 79.19 C +HETATM 119 N HYP A 21 7.145 -2.223 -5.365 1.00 82.69 N +HETATM 120 CA HYP A 21 7.984 -1.327 -6.062 1.00 83.46 C +HETATM 121 C HYP A 21 7.556 -1.109 -7.492 1.00 82.49 C +HETATM 122 O HYP A 21 7.087 -2.053 -8.128 1.00 82.50 O +HETATM 123 CB HYP A 21 9.322 -2.052 -6.039 1.00 81.49 C +HETATM 124 CG HYP A 21 9.248 -2.834 -4.778 1.00 79.92 C +HETATM 125 CD HYP A 21 7.848 -3.278 -4.736 1.00 81.44 C +HETATM 126 OD1 HYP A 21 9.467 -1.990 -3.657 1.00 78.85 O +ATOM 127 N GLY A 22 7.650 0.127 -7.954 1.00 83.11 N +ATOM 128 CA GLY A 22 7.288 0.452 -9.304 1.00 82.36 C +ATOM 129 C GLY A 22 8.311 -0.100 -10.279 1.00 83.54 C +ATOM 130 O GLY A 22 9.352 -0.621 -9.881 1.00 81.58 O +ATOM 131 N PRO A 23 8.041 0.035 -11.548 1.00 83.23 N +ATOM 132 CA PRO A 23 8.993 -0.433 -12.551 1.00 83.65 C +ATOM 133 C PRO A 23 10.228 0.445 -12.547 1.00 83.30 C +ATOM 134 O PRO A 23 10.161 1.621 -12.206 1.00 79.67 O +ATOM 135 CB PRO A 23 8.207 -0.310 -13.856 1.00 80.30 C +ATOM 136 CG PRO A 23 7.248 0.792 -13.593 1.00 79.73 C +ATOM 137 CD PRO A 23 6.858 0.632 -12.150 1.00 80.51 C +HETATM 138 N HYP A 24 11.317 -0.015 -12.796 1.00 81.86 N +HETATM 139 CA HYP A 24 12.507 0.786 -12.704 1.00 81.60 C +HETATM 140 C HYP A 24 12.268 2.208 -12.587 1.00 75.39 C +HETATM 141 O HYP A 24 12.998 3.078 -12.107 1.00 73.26 O +HETATM 142 CB HYP A 24 13.397 0.314 -13.760 1.00 80.80 C +HETATM 143 CG HYP A 24 12.965 -1.080 -14.019 1.00 76.68 C +HETATM 144 CD HYP A 24 11.503 -1.110 -13.647 1.00 79.32 C +HETATM 145 OD1 HYP A 24 13.625 -1.964 -13.154 1.00 76.17 O +HETATM 146 OXT HYP A 24 11.277 2.705 -13.058 1.00 69.90 O +TER 147 HYP A 24 +END diff --git a/protein_pdb_567.txt b/protein_pdb_567.txt new file mode 100644 index 0000000000000000000000000000000000000000..4f649d9544fbca4521d387fff4127e97a0298389 --- /dev/null +++ b/protein_pdb_567.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 4.459 3.039 -14.858 1.00 85.70 N +ATOM 2 CA GLY A 1 5.165 3.794 -13.838 1.00 87.02 C +ATOM 3 C GLY A 1 5.477 2.931 -12.644 1.00 88.31 C +ATOM 4 O GLY A 1 5.119 1.761 -12.608 1.00 85.49 O +ATOM 5 N PRO A 2 6.143 3.480 -11.604 1.00 88.50 N +ATOM 6 CA PRO A 2 6.501 2.712 -10.418 1.00 89.38 C +ATOM 7 C PRO A 2 5.291 2.362 -9.569 1.00 89.84 C +ATOM 8 O PRO A 2 4.224 2.947 -9.705 1.00 87.91 O +ATOM 9 CB PRO A 2 7.461 3.642 -9.679 1.00 86.32 C +ATOM 10 CG PRO A 2 7.050 5.003 -10.112 1.00 82.68 C +ATOM 11 CD PRO A 2 6.640 4.855 -11.548 1.00 83.96 C +HETATM 12 N HYP A 3 5.469 1.381 -8.735 1.00 89.08 N +HETATM 13 CA HYP A 3 4.415 1.018 -7.800 1.00 85.58 C +HETATM 14 C HYP A 3 4.063 2.167 -6.882 1.00 88.27 C +HETATM 15 O HYP A 3 4.950 3.012 -6.588 1.00 90.97 O +HETATM 16 CB HYP A 3 5.076 -0.137 -6.983 1.00 87.18 C +HETATM 17 CG HYP A 3 6.046 -0.780 -7.961 1.00 85.34 C +HETATM 18 CD HYP A 3 6.606 0.462 -8.697 1.00 87.90 C +HETATM 19 OD1 HYP A 3 5.331 -1.579 -8.851 1.00 86.94 O +ATOM 20 N GLY A 4 2.812 2.222 -6.513 1.00 92.62 N +ATOM 21 CA GLY A 4 2.365 3.263 -5.633 1.00 91.88 C +ATOM 22 C GLY A 4 2.955 3.090 -4.244 1.00 92.10 C +ATOM 23 O GLY A 4 3.570 2.059 -3.943 1.00 92.48 O +ATOM 24 N PRO A 5 2.776 4.093 -3.396 1.00 91.01 N +ATOM 25 CA PRO A 5 3.310 4.010 -2.042 1.00 90.28 C +ATOM 26 C PRO A 5 2.529 3.019 -1.196 1.00 90.43 C +ATOM 27 O PRO A 5 1.410 2.642 -1.530 1.00 89.69 O +ATOM 28 CB PRO A 5 3.174 5.439 -1.528 1.00 88.72 C +ATOM 29 CG PRO A 5 1.992 5.962 -2.271 1.00 86.91 C +ATOM 30 CD PRO A 5 2.103 5.364 -3.644 1.00 88.84 C +HETATM 31 N HYP A 6 3.144 2.588 -0.104 1.00 91.65 N +HETATM 32 CA HYP A 6 2.460 1.719 0.802 1.00 93.59 C +HETATM 33 C HYP A 6 1.243 2.353 1.416 1.00 92.49 C +HETATM 34 O HYP A 6 1.201 3.603 1.579 1.00 92.85 O +HETATM 35 CB HYP A 6 3.538 1.485 1.913 1.00 89.97 C +HETATM 36 CG HYP A 6 4.844 1.666 1.191 1.00 89.43 C +HETATM 37 CD HYP A 6 4.517 2.820 0.251 1.00 90.82 C +HETATM 38 OD1 HYP A 6 5.136 0.501 0.461 1.00 89.20 O +ATOM 39 N GLY A 7 0.255 1.562 1.681 1.00 92.41 N +ATOM 40 CA GLY A 7 -0.944 2.055 2.298 1.00 91.49 C +ATOM 41 C GLY A 7 -0.671 2.463 3.733 1.00 91.82 C +ATOM 42 O GLY A 7 0.415 2.238 4.266 1.00 91.83 O +ATOM 43 N PRO A 8 -1.651 3.073 4.374 1.00 93.52 N +ATOM 44 CA PRO A 8 -1.478 3.489 5.758 1.00 93.16 C +ATOM 45 C PRO A 8 -1.495 2.300 6.698 1.00 93.44 C +ATOM 46 O PRO A 8 -1.922 1.203 6.340 1.00 91.81 O +ATOM 47 CB PRO A 8 -2.670 4.411 5.992 1.00 91.29 C +ATOM 48 CG PRO A 8 -3.711 3.859 5.087 1.00 90.08 C +ATOM 49 CD PRO A 8 -2.963 3.438 3.854 1.00 91.99 C +HETATM 50 N HYP A 9 -1.000 2.507 7.907 1.00 92.17 N +HETATM 51 CA HYP A 9 -1.056 1.492 8.899 1.00 92.58 C +HETATM 52 C HYP A 9 -2.431 1.083 9.254 1.00 93.47 C +HETATM 53 O HYP A 9 -3.359 1.897 9.259 1.00 92.24 O +HETATM 54 CB HYP A 9 -0.362 2.121 10.119 1.00 88.76 C +HETATM 55 CG HYP A 9 0.533 3.165 9.542 1.00 88.94 C +HETATM 56 CD HYP A 9 -0.224 3.685 8.358 1.00 91.21 C +HETATM 57 OD1 HYP A 9 1.725 2.542 9.096 1.00 86.49 O +ATOM 58 N GLY A 10 -2.646 -0.187 9.529 1.00 91.91 N +ATOM 59 CA GLY A 10 -3.902 -0.634 10.060 1.00 89.58 C +ATOM 60 C GLY A 10 -3.951 -0.238 11.529 1.00 89.61 C +ATOM 61 O GLY A 10 -3.065 0.461 12.027 1.00 89.16 O +ATOM 62 N TYR A 11 -4.949 -0.687 12.235 1.00 92.17 N +ATOM 63 CA TYR A 11 -5.040 -0.390 13.661 1.00 92.74 C +ATOM 64 C TYR A 11 -3.905 -1.137 14.358 1.00 92.77 C +ATOM 65 O TYR A 11 -3.960 -2.351 14.529 1.00 91.38 O +ATOM 66 CB TYR A 11 -6.395 -0.840 14.196 1.00 92.29 C +ATOM 67 CG TYR A 11 -6.529 -0.615 15.689 1.00 87.96 C +ATOM 68 CD1 TYR A 11 -6.689 0.669 16.190 1.00 85.98 C +ATOM 69 CD2 TYR A 11 -6.477 -1.671 16.580 1.00 85.03 C +ATOM 70 CE1 TYR A 11 -6.787 0.888 17.564 1.00 82.37 C +ATOM 71 CE2 TYR A 11 -6.575 -1.462 17.950 1.00 83.23 C +ATOM 72 CZ TYR A 11 -6.726 -0.179 18.430 1.00 83.29 C +ATOM 73 OH TYR A 11 -6.825 0.037 19.785 1.00 84.44 O +ATOM 74 N ASN A 12 -2.871 -0.403 14.725 1.00 92.95 N +ATOM 75 CA ASN A 12 -1.662 -0.985 15.304 1.00 93.65 C +ATOM 76 C ASN A 12 -1.063 -2.055 14.402 1.00 94.07 C +ATOM 77 O ASN A 12 -0.401 -2.974 14.879 1.00 90.80 O +ATOM 78 CB ASN A 12 -1.944 -1.562 16.697 1.00 91.89 C +ATOM 79 CG ASN A 12 -2.284 -0.484 17.704 1.00 87.55 C +ATOM 80 OD1 ASN A 12 -3.268 -0.589 18.426 1.00 86.42 O +ATOM 81 ND2 ASN A 12 -1.466 0.549 17.764 1.00 80.93 N +ATOM 82 N GLY A 13 -1.289 -1.921 13.112 1.00 94.82 N +ATOM 83 CA GLY A 13 -0.821 -2.901 12.158 1.00 94.14 C +ATOM 84 C GLY A 13 0.162 -2.306 11.172 1.00 94.33 C +ATOM 85 O GLY A 13 0.424 -1.103 11.191 1.00 94.02 O +ATOM 86 N PRO A 14 0.718 -3.141 10.311 1.00 94.22 N +ATOM 87 CA PRO A 14 1.693 -2.682 9.339 1.00 93.77 C +ATOM 88 C PRO A 14 1.049 -1.882 8.223 1.00 94.01 C +ATOM 89 O PRO A 14 -0.164 -1.884 8.051 1.00 92.48 O +ATOM 90 CB PRO A 14 2.300 -3.983 8.810 1.00 92.04 C +ATOM 91 CG PRO A 14 1.178 -4.948 8.912 1.00 90.95 C +ATOM 92 CD PRO A 14 0.477 -4.578 10.195 1.00 92.58 C +HETATM 93 N HYP A 15 1.885 -1.213 7.486 1.00 94.59 N +HETATM 94 CA HYP A 15 1.429 -0.509 6.311 1.00 94.77 C +HETATM 95 C HYP A 15 0.823 -1.422 5.291 1.00 95.58 C +HETATM 96 O HYP A 15 1.214 -2.618 5.232 1.00 94.81 O +HETATM 97 CB HYP A 15 2.749 0.122 5.812 1.00 90.40 C +HETATM 98 CG HYP A 15 3.605 0.255 7.055 1.00 90.34 C +HETATM 99 CD HYP A 15 3.272 -1.001 7.821 1.00 92.92 C +HETATM 100 OD1 HYP A 15 3.215 1.392 7.791 1.00 90.41 O +ATOM 101 N GLY A 16 -0.099 -0.927 4.532 1.00 95.40 N +ATOM 102 CA GLY A 16 -0.704 -1.710 3.493 1.00 94.85 C +ATOM 103 C GLY A 16 0.298 -1.977 2.382 1.00 95.11 C +ATOM 104 O GLY A 16 1.401 -1.428 2.370 1.00 94.81 O +ATOM 105 N PRO A 17 -0.084 -2.834 1.439 1.00 93.44 N +ATOM 106 CA PRO A 17 0.815 -3.161 0.341 1.00 92.89 C +ATOM 107 C PRO A 17 0.977 -1.990 -0.614 1.00 93.43 C +ATOM 108 O PRO A 17 0.176 -1.065 -0.630 1.00 92.25 O +ATOM 109 CB PRO A 17 0.129 -4.353 -0.324 1.00 91.44 C +ATOM 110 CG PRO A 17 -1.310 -4.140 -0.029 1.00 89.95 C +ATOM 111 CD PRO A 17 -1.343 -3.571 1.359 1.00 91.64 C +HETATM 112 N HYP A 18 2.041 -2.041 -1.418 1.00 90.67 N +HETATM 113 CA HYP A 18 2.245 -1.054 -2.416 1.00 92.38 C +HETATM 114 C HYP A 18 1.131 -1.006 -3.434 1.00 91.46 C +HETATM 115 O HYP A 18 0.474 -2.049 -3.695 1.00 91.77 O +HETATM 116 CB HYP A 18 3.544 -1.544 -3.113 1.00 88.85 C +HETATM 117 CG HYP A 18 4.265 -2.340 -2.044 1.00 87.49 C +HETATM 118 CD HYP A 18 3.109 -3.019 -1.345 1.00 90.65 C +HETATM 119 OD1 HYP A 18 4.923 -1.459 -1.139 1.00 88.73 O +ATOM 120 N GLY A 19 0.871 0.148 -3.957 1.00 91.62 N +ATOM 121 CA GLY A 19 -0.128 0.306 -4.969 1.00 91.45 C +ATOM 122 C GLY A 19 0.347 -0.312 -6.272 1.00 91.91 C +ATOM 123 O GLY A 19 1.503 -0.701 -6.414 1.00 92.15 O +ATOM 124 N PRO A 20 -0.558 -0.409 -7.241 1.00 87.20 N +ATOM 125 CA PRO A 20 -0.199 -0.995 -8.523 1.00 87.16 C +ATOM 126 C PRO A 20 0.697 -0.065 -9.327 1.00 87.42 C +ATOM 127 O PRO A 20 0.802 1.121 -9.041 1.00 87.62 O +ATOM 128 CB PRO A 20 -1.552 -1.202 -9.196 1.00 84.98 C +ATOM 129 CG PRO A 20 -2.390 -0.116 -8.621 1.00 82.39 C +ATOM 130 CD PRO A 20 -1.954 -0.004 -7.185 1.00 83.98 C +HETATM 131 N HYP A 21 1.380 -0.645 -10.321 1.00 89.86 N +HETATM 132 CA HYP A 21 2.162 0.161 -11.205 1.00 87.79 C +HETATM 133 C HYP A 21 1.389 1.240 -11.915 1.00 88.97 C +HETATM 134 O HYP A 21 0.191 1.039 -12.174 1.00 91.02 O +HETATM 135 CB HYP A 21 2.725 -0.868 -12.222 1.00 85.67 C +HETATM 136 CG HYP A 21 2.761 -2.174 -11.448 1.00 82.48 C +HETATM 137 CD HYP A 21 1.524 -2.091 -10.580 1.00 88.75 C +HETATM 138 OD1 HYP A 21 3.903 -2.203 -10.603 1.00 84.40 O +ATOM 139 N GLY A 22 1.988 2.376 -12.151 1.00 87.84 N +ATOM 140 CA GLY A 22 1.340 3.447 -12.848 1.00 84.57 C +ATOM 141 C GLY A 22 1.167 3.090 -14.318 1.00 84.02 C +ATOM 142 O GLY A 22 1.577 2.018 -14.759 1.00 84.43 O +ATOM 143 N PRO A 23 0.570 3.992 -15.101 1.00 89.60 N +ATOM 144 CA PRO A 23 0.367 3.712 -16.517 1.00 89.09 C +ATOM 145 C PRO A 23 1.683 3.629 -17.258 1.00 88.42 C +ATOM 146 O PRO A 23 2.709 4.116 -16.800 1.00 84.59 O +ATOM 147 CB PRO A 23 -0.484 4.886 -16.984 1.00 85.33 C +ATOM 148 CG PRO A 23 -0.126 5.975 -16.045 1.00 82.88 C +ATOM 149 CD PRO A 23 0.079 5.295 -14.715 1.00 85.80 C +HETATM 150 N HYP A 24 1.722 3.044 -18.356 1.00 92.09 N +HETATM 151 CA HYP A 24 2.970 2.868 -19.077 1.00 85.92 C +HETATM 152 C HYP A 24 3.972 3.933 -18.809 1.00 89.48 C +HETATM 153 O HYP A 24 4.393 4.710 -19.686 1.00 85.25 O +HETATM 154 CB HYP A 24 2.638 2.666 -20.501 1.00 86.54 C +HETATM 155 CG HYP A 24 1.130 2.626 -20.601 1.00 85.56 C +HETATM 156 CD HYP A 24 0.583 2.915 -19.195 1.00 90.04 C +HETATM 157 OD1 HYP A 24 0.696 1.305 -20.917 1.00 84.45 O +HETATM 158 OXT HYP A 24 4.428 3.975 -17.660 1.00 80.93 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_568.txt b/protein_pdb_568.txt new file mode 100644 index 0000000000000000000000000000000000000000..adbc437862ae204a35efbd8da1da1c50f7dd6866 --- /dev/null +++ b/protein_pdb_568.txt @@ -0,0 +1,177 @@ +ATOM 1 N GLY A 1 -23.098 29.529 -12.458 1.00 93.45 N +ATOM 2 CA GLY A 1 -21.820 29.966 -11.897 1.00 94.84 C +ATOM 3 C GLY A 1 -20.641 29.310 -12.576 1.00 95.15 C +ATOM 4 O GLY A 1 -20.816 28.387 -13.374 1.00 92.85 O +ATOM 5 N ARG A 2 -19.446 29.758 -12.250 1.00 96.96 N +ATOM 6 CA ARG A 2 -18.222 29.191 -12.805 1.00 97.18 C +ATOM 7 C ARG A 2 -18.056 27.750 -12.342 1.00 97.59 C +ATOM 8 O ARG A 2 -18.421 27.404 -11.231 1.00 96.98 O +ATOM 9 CB ARG A 2 -17.029 30.045 -12.371 1.00 95.50 C +ATOM 10 CG ARG A 2 -15.687 29.491 -12.778 1.00 89.89 C +ATOM 11 CD ARG A 2 -14.563 30.495 -12.583 1.00 87.32 C +ATOM 12 NE ARG A 2 -14.736 31.345 -11.423 1.00 82.64 N +ATOM 13 CZ ARG A 2 -14.977 32.650 -11.487 1.00 80.69 C +ATOM 14 NH1 ARG A 2 -15.074 33.252 -12.654 1.00 75.45 N +ATOM 15 NH2 ARG A 2 -15.108 33.344 -10.374 1.00 75.91 N +HETATM 16 N HYP A 3 -17.539 26.921 -13.203 1.00 97.98 N +HETATM 17 CA HYP A 3 -17.250 25.551 -12.842 1.00 97.81 C +HETATM 18 C HYP A 3 -16.301 25.412 -11.649 1.00 98.30 C +HETATM 19 O HYP A 3 -15.321 26.180 -11.518 1.00 97.70 O +HETATM 20 CB HYP A 3 -16.625 24.884 -14.092 1.00 97.16 C +HETATM 21 CG HYP A 3 -17.077 25.739 -15.231 1.00 95.96 C +HETATM 22 CD HYP A 3 -17.123 27.132 -14.611 1.00 96.88 C +HETATM 23 OD1 HYP A 3 -18.317 25.389 -15.719 1.00 95.48 O +ATOM 24 N GLY A 4 -16.610 24.437 -10.764 1.00 97.39 N +ATOM 25 CA GLY A 4 -15.823 24.250 -9.569 1.00 97.04 C +ATOM 26 C GLY A 4 -14.435 23.703 -9.877 1.00 97.21 C +ATOM 27 O GLY A 4 -14.182 23.169 -10.962 1.00 97.10 O +ATOM 28 N ALA A 5 -13.543 23.823 -8.889 1.00 96.91 N +ATOM 29 CA ALA A 5 -12.181 23.314 -9.026 1.00 96.69 C +ATOM 30 C ALA A 5 -12.185 21.790 -8.976 1.00 97.00 C +ATOM 31 O ALA A 5 -13.105 21.174 -8.441 1.00 96.41 O +ATOM 32 CB ALA A 5 -11.300 23.876 -7.921 1.00 94.48 C +ATOM 33 N ALA A 6 -11.132 21.179 -9.526 1.00 97.03 N +ATOM 34 CA ALA A 6 -11.013 19.725 -9.508 1.00 97.03 C +ATOM 35 C ALA A 6 -10.921 19.228 -8.064 1.00 97.57 C +ATOM 36 O ALA A 6 -10.367 19.904 -7.199 1.00 96.71 O +ATOM 37 CB ALA A 6 -9.781 19.288 -10.291 1.00 95.01 C +ATOM 38 N GLY A 7 -11.461 18.038 -7.822 1.00 97.85 N +ATOM 39 CA GLY A 7 -11.432 17.481 -6.489 1.00 97.74 C +ATOM 40 C GLY A 7 -10.045 17.032 -6.077 1.00 98.07 C +ATOM 41 O GLY A 7 -9.155 16.852 -6.910 1.00 97.95 O +ATOM 42 N ALA A 8 -9.878 16.841 -4.783 1.00 98.31 N +ATOM 43 CA ALA A 8 -8.605 16.400 -4.224 1.00 98.39 C +ATOM 44 C ALA A 8 -8.354 14.944 -4.585 1.00 98.48 C +ATOM 45 O ALA A 8 -9.285 14.177 -4.805 1.00 98.18 O +ATOM 46 CB ALA A 8 -8.612 16.574 -2.714 1.00 97.53 C +HETATM 47 N HYP A 9 -7.114 14.581 -4.639 1.00 98.48 N +HETATM 48 CA HYP A 9 -6.723 13.179 -4.846 1.00 98.55 C +HETATM 49 C HYP A 9 -7.284 12.283 -3.809 1.00 98.58 C +HETATM 50 O HYP A 9 -7.430 12.698 -2.642 1.00 98.35 O +HETATM 51 CB HYP A 9 -5.175 13.169 -4.809 1.00 97.05 C +HETATM 52 CG HYP A 9 -4.779 14.577 -5.148 1.00 96.15 C +HETATM 53 CD HYP A 9 -5.896 15.403 -4.579 1.00 96.85 C +HETATM 54 OD1 HYP A 9 -4.712 14.770 -6.554 1.00 95.91 O +ATOM 55 N GLY A 10 -7.600 11.029 -4.153 1.00 98.37 N +ATOM 56 CA GLY A 10 -8.129 10.061 -3.214 1.00 98.18 C +ATOM 57 C GLY A 10 -7.092 9.653 -2.184 1.00 98.30 C +ATOM 58 O GLY A 10 -5.889 9.888 -2.348 1.00 98.14 O +ATOM 59 N VAL A 11 -7.575 9.018 -1.102 1.00 98.39 N +ATOM 60 CA VAL A 11 -6.700 8.532 -0.034 1.00 98.23 C +ATOM 61 C VAL A 11 -5.868 7.372 -0.561 1.00 98.38 C +ATOM 62 O VAL A 11 -6.374 6.510 -1.289 1.00 98.12 O +ATOM 63 CB VAL A 11 -7.527 8.100 1.184 1.00 97.73 C +ATOM 64 CG1 VAL A 11 -6.635 7.519 2.265 1.00 94.56 C +ATOM 65 CG2 VAL A 11 -8.315 9.281 1.727 1.00 93.89 C +ATOM 66 N ARG A 12 -4.576 7.319 -0.178 1.00 98.28 N +ATOM 67 CA ARG A 12 -3.701 6.234 -0.598 1.00 98.11 C +ATOM 68 C ARG A 12 -4.155 4.931 0.039 1.00 98.25 C +ATOM 69 O ARG A 12 -4.536 4.903 1.209 1.00 97.76 O +ATOM 70 CB ARG A 12 -2.245 6.538 -0.212 1.00 97.12 C +ATOM 71 CG ARG A 12 -1.278 5.450 -0.652 1.00 91.97 C +ATOM 72 CD ARG A 12 0.143 5.806 -0.307 1.00 88.75 C +ATOM 73 NE ARG A 12 0.615 6.948 -1.088 1.00 83.37 N +ATOM 74 CZ ARG A 12 1.830 7.458 -0.997 1.00 80.32 C +ATOM 75 NH1 ARG A 12 2.713 6.938 -0.157 1.00 76.49 N +ATOM 76 NH2 ARG A 12 2.167 8.487 -1.745 1.00 76.48 N +ATOM 77 N GLY A 13 -4.110 3.865 -0.734 1.00 98.02 N +ATOM 78 CA GLY A 13 -4.512 2.568 -0.233 1.00 97.70 C +ATOM 79 C GLY A 13 -3.544 2.042 0.815 1.00 97.90 C +ATOM 80 O GLY A 13 -2.438 2.555 0.972 1.00 97.91 O +ATOM 81 N PRO A 14 -3.949 0.978 1.551 1.00 98.28 N +ATOM 82 CA PRO A 14 -3.077 0.422 2.577 1.00 98.05 C +ATOM 83 C PRO A 14 -1.847 -0.236 1.970 1.00 98.25 C +ATOM 84 O PRO A 14 -1.857 -0.678 0.821 1.00 97.83 O +ATOM 85 CB PRO A 14 -3.967 -0.602 3.291 1.00 97.25 C +ATOM 86 CG PRO A 14 -4.940 -1.010 2.243 1.00 95.93 C +ATOM 87 CD PRO A 14 -5.211 0.248 1.456 1.00 97.44 C +ATOM 88 N ARG A 15 -0.768 -0.308 2.748 1.00 98.07 N +ATOM 89 CA ARG A 15 0.460 -0.943 2.297 1.00 98.06 C +ATOM 90 C ARG A 15 0.227 -2.448 2.179 1.00 98.18 C +ATOM 91 O ARG A 15 -0.542 -3.026 2.945 1.00 97.65 O +ATOM 92 CB ARG A 15 1.597 -0.651 3.267 1.00 96.75 C +ATOM 93 CG ARG A 15 2.942 -1.154 2.786 1.00 89.88 C +ATOM 94 CD ARG A 15 4.068 -0.633 3.627 1.00 86.43 C +ATOM 95 NE ARG A 15 5.358 -1.071 3.130 1.00 81.74 N +ATOM 96 CZ ARG A 15 6.522 -0.584 3.528 1.00 78.89 C +ATOM 97 NH1 ARG A 15 6.566 0.354 4.449 1.00 74.89 N +ATOM 98 NH2 ARG A 15 7.633 -1.051 3.009 1.00 74.00 N +ATOM 99 N GLY A 16 0.900 -3.068 1.223 1.00 98.23 N +ATOM 100 CA GLY A 16 0.758 -4.499 1.021 1.00 97.91 C +ATOM 101 C GLY A 16 1.329 -5.298 2.178 1.00 98.14 C +ATOM 102 O GLY A 16 2.030 -4.760 3.034 1.00 98.16 O +ATOM 103 N PRO A 17 1.034 -6.607 2.223 1.00 97.83 N +ATOM 104 CA PRO A 17 1.521 -7.459 3.302 1.00 97.69 C +ATOM 105 C PRO A 17 3.023 -7.680 3.216 1.00 97.83 C +ATOM 106 O PRO A 17 3.620 -7.513 2.159 1.00 97.65 O +ATOM 107 CB PRO A 17 0.752 -8.762 3.100 1.00 96.71 C +ATOM 108 CG PRO A 17 0.492 -8.798 1.637 1.00 95.46 C +ATOM 109 CD PRO A 17 0.227 -7.360 1.262 1.00 97.03 C +HETATM 110 N HYP A 18 3.638 -8.089 4.306 1.00 98.16 N +HETATM 111 CA HYP A 18 5.031 -8.420 4.374 1.00 97.66 C +HETATM 112 C HYP A 18 5.367 -9.574 3.411 1.00 98.36 C +HETATM 113 O HYP A 18 4.494 -10.431 3.154 1.00 97.81 O +HETATM 114 CB HYP A 18 5.242 -8.854 5.820 1.00 97.10 C +HETATM 115 CG HYP A 18 4.140 -8.146 6.583 1.00 95.13 C +HETATM 116 CD HYP A 18 3.001 -8.142 5.609 1.00 96.39 C +HETATM 117 OD1 HYP A 18 4.510 -6.812 6.911 1.00 95.36 O +ATOM 118 N GLY A 19 6.538 -9.586 2.878 1.00 98.23 N +ATOM 119 CA GLY A 19 6.957 -10.649 2.007 1.00 98.06 C +ATOM 120 C GLY A 19 7.109 -11.952 2.776 1.00 98.23 C +ATOM 121 O GLY A 19 7.021 -11.980 4.009 1.00 98.11 O +ATOM 122 N PRO A 20 7.351 -13.056 2.059 1.00 97.53 N +ATOM 123 CA PRO A 20 7.501 -14.355 2.706 1.00 97.27 C +ATOM 124 C PRO A 20 8.783 -14.426 3.517 1.00 97.44 C +ATOM 125 O PRO A 20 9.727 -13.687 3.267 1.00 97.01 O +ATOM 126 CB PRO A 20 7.523 -15.331 1.526 1.00 96.23 C +ATOM 127 CG PRO A 20 8.069 -14.511 0.404 1.00 94.76 C +ATOM 128 CD PRO A 20 7.483 -13.143 0.611 1.00 96.61 C +HETATM 129 N HYP A 21 8.842 -15.334 4.488 1.00 97.87 N +HETATM 130 CA HYP A 21 10.029 -15.554 5.284 1.00 97.35 C +HETATM 131 C HYP A 21 11.233 -15.976 4.430 1.00 97.88 C +HETATM 132 O HYP A 21 11.052 -16.662 3.416 1.00 97.78 O +HETATM 133 CB HYP A 21 9.626 -16.719 6.224 1.00 95.71 C +HETATM 134 CG HYP A 21 8.130 -16.652 6.319 1.00 94.49 C +HETATM 135 CD HYP A 21 7.713 -16.152 4.956 1.00 96.12 C +HETATM 136 OD1 HYP A 21 7.709 -15.691 7.294 1.00 94.38 O +ATOM 137 N GLY A 22 12.404 -15.542 4.797 1.00 97.43 N +ATOM 138 CA GLY A 22 13.601 -15.904 4.085 1.00 97.49 C +ATOM 139 C GLY A 22 13.896 -17.384 4.249 1.00 97.74 C +ATOM 140 O GLY A 22 13.274 -18.068 5.064 1.00 97.59 O +ATOM 141 N PRO A 23 14.871 -17.897 3.494 1.00 96.60 N +ATOM 142 CA PRO A 23 15.218 -19.317 3.572 1.00 96.37 C +ATOM 143 C PRO A 23 15.876 -19.653 4.906 1.00 96.63 C +ATOM 144 O PRO A 23 16.433 -18.783 5.570 1.00 96.14 O +ATOM 145 CB PRO A 23 16.171 -19.503 2.400 1.00 94.99 C +ATOM 146 CG PRO A 23 16.782 -18.154 2.212 1.00 93.14 C +ATOM 147 CD PRO A 23 15.673 -17.183 2.506 1.00 95.49 C +HETATM 148 N HYP A 24 15.857 -20.900 5.299 1.00 96.76 N +HETATM 149 CA HYP A 24 16.503 -21.361 6.503 1.00 95.48 C +HETATM 150 C HYP A 24 18.015 -21.133 6.485 1.00 96.46 C +HETATM 151 O HYP A 24 18.604 -21.152 5.417 1.00 96.05 O +HETATM 152 CB HYP A 24 16.230 -22.900 6.513 1.00 93.78 C +HETATM 153 CG HYP A 24 14.978 -23.087 5.678 1.00 91.90 C +HETATM 154 CD HYP A 24 15.099 -21.978 4.631 1.00 94.18 C +HETATM 155 OD1 HYP A 24 13.789 -22.866 6.441 1.00 91.84 O +ATOM 156 N GLY A 25 18.595 -20.859 7.629 1.00 94.72 N +ATOM 157 CA GLY A 25 20.012 -20.642 7.717 1.00 94.57 C +ATOM 158 C GLY A 25 20.778 -21.913 7.373 1.00 95.20 C +ATOM 159 O GLY A 25 20.198 -22.997 7.320 1.00 94.78 O +ATOM 160 N PRO A 26 22.107 -21.813 7.161 1.00 94.41 N +ATOM 161 CA PRO A 26 22.907 -22.977 6.815 1.00 94.48 C +ATOM 162 C PRO A 26 23.019 -23.933 7.988 1.00 94.32 C +ATOM 163 O PRO A 26 23.029 -23.510 9.144 1.00 92.26 O +ATOM 164 CB PRO A 26 24.262 -22.385 6.432 1.00 92.12 C +ATOM 165 CG PRO A 26 24.311 -21.113 7.199 1.00 89.91 C +ATOM 166 CD PRO A 26 22.902 -20.598 7.207 1.00 92.69 C +HETATM 167 N HYP A 27 23.174 -25.210 7.717 1.00 95.69 N +HETATM 168 CA HYP A 27 23.264 -26.165 8.814 1.00 91.30 C +HETATM 169 C HYP A 27 24.573 -25.906 9.582 1.00 88.29 C +HETATM 170 O HYP A 27 25.649 -25.818 8.967 1.00 91.71 O +HETATM 171 CB HYP A 27 23.325 -27.570 8.140 1.00 89.59 C +HETATM 172 CG HYP A 27 22.902 -27.384 6.694 1.00 86.47 C +HETATM 173 CD HYP A 27 23.185 -25.913 6.396 1.00 92.28 C +HETATM 174 OD1 HYP A 27 21.518 -27.614 6.609 1.00 87.33 O +HETATM 175 OXT HYP A 27 24.422 -25.738 10.815 1.00 90.75 O +TER 176 HYP A 27 +END diff --git a/protein_pdb_569.txt b/protein_pdb_569.txt new file mode 100644 index 0000000000000000000000000000000000000000..733a54b03ac3e66d4000a5f7d3cdf1538aa39282 --- /dev/null +++ b/protein_pdb_569.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 7.201 6.360 -12.652 1.00 80.40 N +ATOM 2 CA GLY A 1 7.713 6.895 -11.401 1.00 83.22 C +ATOM 3 C GLY A 1 7.893 5.801 -10.375 1.00 85.20 C +ATOM 4 O GLY A 1 7.643 4.637 -10.658 1.00 82.35 O +ATOM 5 N PRO A 2 8.292 6.162 -9.172 1.00 80.71 N +ATOM 6 CA PRO A 2 8.509 5.167 -8.130 1.00 83.08 C +ATOM 7 C PRO A 2 7.206 4.542 -7.658 1.00 83.34 C +ATOM 8 O PRO A 2 6.126 5.067 -7.896 1.00 82.68 O +ATOM 9 CB PRO A 2 9.180 5.969 -7.017 1.00 79.87 C +ATOM 10 CG PRO A 2 8.708 7.357 -7.232 1.00 75.26 C +ATOM 11 CD PRO A 2 8.575 7.520 -8.718 1.00 76.86 C +HETATM 12 N HYP A 3 7.327 3.435 -7.037 1.00 85.45 N +HETATM 13 CA HYP A 3 6.164 2.786 -6.427 1.00 80.67 C +HETATM 14 C HYP A 3 5.462 3.698 -5.453 1.00 84.67 C +HETATM 15 O HYP A 3 6.134 4.526 -4.791 1.00 87.65 O +HETATM 16 CB HYP A 3 6.745 1.554 -5.704 1.00 84.15 C +HETATM 17 CG HYP A 3 7.963 1.209 -6.529 1.00 79.92 C +HETATM 18 CD HYP A 3 8.515 2.608 -6.878 1.00 84.40 C +HETATM 19 OD1 HYP A 3 7.545 0.572 -7.703 1.00 84.94 O +ATOM 20 N GLY A 4 4.163 3.554 -5.412 1.00 87.71 N +ATOM 21 CA GLY A 4 3.386 4.335 -4.489 1.00 86.26 C +ATOM 22 C GLY A 4 3.673 3.940 -3.053 1.00 86.32 C +ATOM 23 O GLY A 4 4.333 2.940 -2.784 1.00 87.08 O +ATOM 24 N PRO A 5 3.174 4.738 -2.111 1.00 86.71 N +ATOM 25 CA PRO A 5 3.398 4.437 -0.702 1.00 86.46 C +ATOM 26 C PRO A 5 2.595 3.221 -0.258 1.00 86.33 C +ATOM 27 O PRO A 5 1.648 2.811 -0.913 1.00 85.11 O +ATOM 28 CB PRO A 5 2.933 5.706 0.003 1.00 83.56 C +ATOM 29 CG PRO A 5 1.902 6.264 -0.910 1.00 80.96 C +ATOM 30 CD PRO A 5 2.375 5.947 -2.297 1.00 83.20 C +HETATM 31 N HYP A 6 3.000 2.666 0.855 1.00 88.09 N +HETATM 32 CA HYP A 6 2.245 1.571 1.437 1.00 90.97 C +HETATM 33 C HYP A 6 0.851 1.956 1.800 1.00 89.88 C +HETATM 34 O HYP A 6 0.578 3.130 2.170 1.00 89.46 O +HETATM 35 CB HYP A 6 3.069 1.246 2.717 1.00 85.42 C +HETATM 36 CG HYP A 6 4.477 1.661 2.350 1.00 82.82 C +HETATM 37 CD HYP A 6 4.228 2.937 1.562 1.00 86.86 C +HETATM 38 OD1 HYP A 6 5.049 0.689 1.529 1.00 84.06 O +ATOM 39 N GLY A 7 -0.053 1.025 1.634 1.00 89.13 N +ATOM 40 CA GLY A 7 -1.419 1.252 2.005 1.00 87.27 C +ATOM 41 C GLY A 7 -1.569 1.370 3.512 1.00 88.12 C +ATOM 42 O GLY A 7 -0.633 1.118 4.266 1.00 87.91 O +ATOM 43 N PRO A 8 -2.758 1.752 3.951 1.00 86.63 N +ATOM 44 CA PRO A 8 -2.997 1.870 5.380 1.00 87.68 C +ATOM 45 C PRO A 8 -3.088 0.502 6.039 1.00 87.82 C +ATOM 46 O PRO A 8 -3.267 -0.515 5.381 1.00 85.45 O +ATOM 47 CB PRO A 8 -4.324 2.613 5.457 1.00 84.56 C +ATOM 48 CG PRO A 8 -5.018 2.225 4.205 1.00 82.78 C +ATOM 49 CD PRO A 8 -3.940 2.100 3.170 1.00 84.09 C +HETATM 50 N HYP A 9 -2.950 0.492 7.356 1.00 86.68 N +HETATM 51 CA HYP A 9 -3.109 -0.734 8.099 1.00 86.29 C +HETATM 52 C HYP A 9 -4.466 -1.305 7.978 1.00 86.99 C +HETATM 53 O HYP A 9 -5.462 -0.576 7.866 1.00 85.31 O +HETATM 54 CB HYP A 9 -2.852 -0.302 9.563 1.00 82.87 C +HETATM 55 CG HYP A 9 -2.000 0.919 9.460 1.00 81.17 C +HETATM 56 CD HYP A 9 -2.507 1.609 8.223 1.00 84.88 C +HETATM 57 OD1 HYP A 9 -0.664 0.514 9.239 1.00 79.96 O +ATOM 58 N GLY A 10 -4.625 -2.609 7.959 1.00 87.56 N +ATOM 59 CA GLY A 10 -5.913 -3.259 8.071 1.00 83.89 C +ATOM 60 C GLY A 10 -6.413 -3.150 9.497 1.00 84.51 C +ATOM 61 O GLY A 10 -5.865 -2.407 10.310 1.00 83.29 O +ATOM 62 N TRP A 11 -7.446 -3.904 9.807 1.00 88.84 N +ATOM 63 CA TRP A 11 -7.996 -3.855 11.166 1.00 89.19 C +ATOM 64 C TRP A 11 -6.931 -4.072 12.226 1.00 88.30 C +ATOM 65 O TRP A 11 -6.857 -3.327 13.200 1.00 86.79 O +ATOM 66 CB TRP A 11 -9.100 -4.897 11.336 1.00 87.20 C +ATOM 67 CG TRP A 11 -10.318 -4.654 10.522 1.00 83.03 C +ATOM 68 CD1 TRP A 11 -10.734 -5.362 9.439 1.00 81.26 C +ATOM 69 CD2 TRP A 11 -11.305 -3.637 10.722 1.00 80.89 C +ATOM 70 NE1 TRP A 11 -11.903 -4.862 8.954 1.00 75.31 N +ATOM 71 CE2 TRP A 11 -12.287 -3.795 9.715 1.00 79.07 C +ATOM 72 CE3 TRP A 11 -11.459 -2.606 11.645 1.00 76.93 C +ATOM 73 CZ2 TRP A 11 -13.400 -2.957 9.616 1.00 81.27 C +ATOM 74 CZ3 TRP A 11 -12.561 -1.784 11.550 1.00 74.96 C +ATOM 75 CH2 TRP A 11 -13.515 -1.956 10.545 1.00 74.10 C +ATOM 76 N ASP A 12 -6.117 -5.116 12.032 1.00 89.05 N +ATOM 77 CA ASP A 12 -5.066 -5.472 12.983 1.00 90.38 C +ATOM 78 C ASP A 12 -3.736 -5.710 12.286 1.00 91.22 C +ATOM 79 O ASP A 12 -2.822 -6.255 12.907 1.00 86.50 O +ATOM 80 CB ASP A 12 -5.442 -6.759 13.735 1.00 86.96 C +ATOM 81 CG ASP A 12 -6.811 -6.707 14.362 1.00 80.10 C +ATOM 82 OD1 ASP A 12 -7.009 -5.880 15.268 1.00 79.85 O +ATOM 83 OD2 ASP A 12 -7.673 -7.505 13.959 1.00 77.32 O +ATOM 84 N GLY A 13 -3.628 -5.363 11.033 1.00 92.38 N +ATOM 85 CA GLY A 13 -2.505 -5.795 10.240 1.00 91.04 C +ATOM 86 C GLY A 13 -1.535 -4.713 9.840 1.00 91.63 C +ATOM 87 O GLY A 13 -1.718 -3.539 10.158 1.00 91.26 O +ATOM 88 N PRO A 14 -0.484 -5.117 9.142 1.00 91.92 N +ATOM 89 CA PRO A 14 0.538 -4.188 8.679 1.00 91.45 C +ATOM 90 C PRO A 14 0.015 -3.336 7.538 1.00 91.51 C +ATOM 91 O PRO A 14 -1.058 -3.575 6.999 1.00 88.99 O +ATOM 92 CB PRO A 14 1.655 -5.116 8.203 1.00 88.44 C +ATOM 93 CG PRO A 14 0.935 -6.328 7.738 1.00 87.04 C +ATOM 94 CD PRO A 14 -0.216 -6.487 8.690 1.00 88.95 C +HETATM 95 N HYP A 15 0.809 -2.375 7.194 1.00 93.05 N +HETATM 96 CA HYP A 15 0.497 -1.572 6.031 1.00 93.05 C +HETATM 97 C HYP A 15 0.366 -2.385 4.792 1.00 93.85 C +HETATM 98 O HYP A 15 1.028 -3.441 4.678 1.00 92.32 O +HETATM 99 CB HYP A 15 1.695 -0.617 5.965 1.00 87.85 C +HETATM 100 CG HYP A 15 2.155 -0.516 7.415 1.00 87.00 C +HETATM 101 CD HYP A 15 1.970 -1.935 7.914 1.00 91.55 C +HETATM 102 OD1 HYP A 15 1.319 0.357 8.120 1.00 89.68 O +ATOM 103 N GLY A 16 -0.466 -1.957 3.893 1.00 93.72 N +ATOM 104 CA GLY A 16 -0.619 -2.631 2.637 1.00 92.99 C +ATOM 105 C GLY A 16 0.633 -2.538 1.795 1.00 93.52 C +ATOM 106 O GLY A 16 1.579 -1.822 2.131 1.00 92.93 O +ATOM 107 N PRO A 17 0.643 -3.270 0.683 1.00 91.74 N +ATOM 108 CA PRO A 17 1.807 -3.254 -0.192 1.00 91.45 C +ATOM 109 C PRO A 17 1.945 -1.921 -0.902 1.00 91.92 C +ATOM 110 O PRO A 17 1.008 -1.139 -0.992 1.00 90.08 O +ATOM 111 CB PRO A 17 1.524 -4.390 -1.173 1.00 89.33 C +ATOM 112 CG PRO A 17 0.045 -4.484 -1.205 1.00 88.09 C +ATOM 113 CD PRO A 17 -0.414 -4.150 0.181 1.00 89.77 C +HETATM 114 N HYP A 18 3.138 -1.670 -1.410 1.00 89.75 N +HETATM 115 CA HYP A 18 3.366 -0.497 -2.183 1.00 92.49 C +HETATM 116 C HYP A 18 2.498 -0.410 -3.401 1.00 91.67 C +HETATM 117 O HYP A 18 2.134 -1.455 -3.995 1.00 91.56 O +HETATM 118 CB HYP A 18 4.848 -0.642 -2.595 1.00 87.39 C +HETATM 119 CG HYP A 18 5.449 -1.504 -1.509 1.00 86.25 C +HETATM 120 CD HYP A 18 4.317 -2.478 -1.208 1.00 90.59 C +HETATM 121 OD1 HYP A 18 5.699 -0.709 -0.351 1.00 87.12 O +ATOM 122 N GLY A 19 2.113 0.772 -3.766 1.00 90.83 N +ATOM 123 CA GLY A 19 1.349 0.986 -4.964 1.00 90.48 C +ATOM 124 C GLY A 19 2.187 0.748 -6.206 1.00 90.91 C +ATOM 125 O GLY A 19 3.400 0.563 -6.129 1.00 91.02 O +ATOM 126 N PRO A 20 1.533 0.744 -7.357 1.00 85.60 N +ATOM 127 CA PRO A 20 2.246 0.520 -8.600 1.00 85.65 C +ATOM 128 C PRO A 20 3.099 1.718 -8.982 1.00 86.04 C +ATOM 129 O PRO A 20 2.932 2.810 -8.451 1.00 86.77 O +ATOM 130 CB PRO A 20 1.114 0.298 -9.604 1.00 83.25 C +ATOM 131 CG PRO A 20 -0.015 1.084 -9.048 1.00 79.95 C +ATOM 132 CD PRO A 20 0.111 0.967 -7.556 1.00 81.68 C +HETATM 133 N HYP A 21 4.037 1.488 -9.890 1.00 89.18 N +HETATM 134 CA HYP A 21 4.821 2.556 -10.411 1.00 86.47 C +HETATM 135 C HYP A 21 4.016 3.689 -11.022 1.00 88.87 C +HETATM 136 O HYP A 21 2.957 3.407 -11.598 1.00 89.02 O +HETATM 137 CB HYP A 21 5.730 1.928 -11.458 1.00 85.01 C +HETATM 138 CG HYP A 21 5.872 0.504 -10.978 1.00 81.62 C +HETATM 139 CD HYP A 21 4.500 0.195 -10.415 1.00 85.62 C +HETATM 140 OD1 HYP A 21 6.811 0.474 -9.906 1.00 83.61 O +ATOM 141 N GLY A 22 4.422 4.892 -10.829 1.00 87.53 N +ATOM 142 CA GLY A 22 3.764 6.018 -11.414 1.00 84.86 C +ATOM 143 C GLY A 22 3.976 6.064 -12.916 1.00 85.13 C +ATOM 144 O GLY A 22 4.662 5.218 -13.485 1.00 85.57 O +ATOM 145 N PRO A 23 3.401 7.066 -13.576 1.00 86.62 N +ATOM 146 CA PRO A 23 3.551 7.176 -15.022 1.00 86.76 C +ATOM 147 C PRO A 23 4.992 7.471 -15.401 1.00 85.63 C +ATOM 148 O PRO A 23 5.787 7.921 -14.588 1.00 82.35 O +ATOM 149 CB PRO A 23 2.620 8.321 -15.390 1.00 82.46 C +ATOM 150 CG PRO A 23 2.521 9.126 -14.151 1.00 79.33 C +ATOM 151 CD PRO A 23 2.610 8.145 -13.019 1.00 81.90 C +HETATM 152 N HYP A 24 5.366 7.270 -16.573 1.00 90.35 N +HETATM 153 CA HYP A 24 6.728 7.435 -16.992 1.00 85.03 C +HETATM 154 C HYP A 24 7.507 8.478 -16.309 1.00 86.17 C +HETATM 155 O HYP A 24 7.534 9.638 -16.755 1.00 81.44 O +HETATM 156 CB HYP A 24 6.748 7.491 -18.481 1.00 85.84 C +HETATM 157 CG HYP A 24 5.313 7.311 -18.923 1.00 84.86 C +HETATM 158 CD HYP A 24 4.462 7.320 -17.667 1.00 88.07 C +HETATM 159 OD1 HYP A 24 5.147 6.009 -19.474 1.00 81.24 O +HETATM 160 OXT HYP A 24 8.122 8.097 -15.293 1.00 79.81 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_57.txt b/protein_pdb_57.txt new file mode 100644 index 0000000000000000000000000000000000000000..c84df5286ca8e3914a9ea7f618b6f79d8241e5ee --- /dev/null +++ b/protein_pdb_57.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 -18.371 29.581 4.379 1.00 85.04 N +ATOM 2 CA GLY A 1 -16.948 29.508 4.688 1.00 89.11 C +ATOM 3 C GLY A 1 -16.148 28.968 3.526 1.00 89.90 C +ATOM 4 O GLY A 1 -16.722 28.471 2.554 1.00 87.40 O +ATOM 5 N PRO A 2 -14.834 29.052 3.601 1.00 89.44 N +ATOM 6 CA PRO A 2 -13.992 28.538 2.520 1.00 92.45 C +ATOM 7 C PRO A 2 -14.038 27.017 2.449 1.00 92.43 C +ATOM 8 O PRO A 2 -14.430 26.349 3.403 1.00 91.64 O +ATOM 9 CB PRO A 2 -12.590 29.034 2.894 1.00 90.22 C +ATOM 10 CG PRO A 2 -12.631 29.145 4.372 1.00 86.13 C +ATOM 11 CD PRO A 2 -14.032 29.591 4.704 1.00 88.05 C +HETATM 12 N HYP A 3 -13.686 26.542 1.347 1.00 91.25 N +HETATM 13 CA HYP A 3 -13.558 25.042 1.138 1.00 89.48 C +HETATM 14 C HYP A 3 -12.615 24.424 2.138 1.00 89.98 C +HETATM 15 O HYP A 3 -11.591 25.032 2.542 1.00 91.41 O +HETATM 16 CB HYP A 3 -13.022 24.980 -0.288 1.00 90.81 C +HETATM 17 CG HYP A 3 -13.513 26.244 -0.960 1.00 89.55 C +HETATM 18 CD HYP A 3 -13.366 27.309 0.169 1.00 91.22 C +HETATM 19 OD1 HYP A 3 -14.856 26.173 -1.329 1.00 91.45 O +ATOM 20 N GLY A 4 -12.951 23.185 2.566 1.00 93.41 N +ATOM 21 CA GLY A 4 -12.118 22.466 3.499 1.00 92.87 C +ATOM 22 C GLY A 4 -10.805 22.028 2.864 1.00 92.60 C +ATOM 23 O GLY A 4 -10.624 22.113 1.649 1.00 92.28 O +ATOM 24 N PRO A 5 -9.873 21.547 3.696 1.00 92.54 N +ATOM 25 CA PRO A 5 -8.583 21.090 3.181 1.00 92.69 C +ATOM 26 C PRO A 5 -8.729 19.779 2.414 1.00 92.50 C +ATOM 27 O PRO A 5 -9.719 19.067 2.560 1.00 91.78 O +ATOM 28 CB PRO A 5 -7.742 20.911 4.440 1.00 90.64 C +ATOM 29 CG PRO A 5 -8.745 20.572 5.483 1.00 88.06 C +ATOM 30 CD PRO A 5 -9.972 21.380 5.141 1.00 90.50 C +HETATM 31 N HYP A 6 -7.766 19.499 1.591 1.00 90.66 N +HETATM 32 CA HYP A 6 -7.704 18.155 0.920 1.00 93.05 C +HETATM 33 C HYP A 6 -7.744 17.028 1.895 1.00 90.65 C +HETATM 34 O HYP A 6 -7.239 17.135 3.031 1.00 90.69 O +HETATM 35 CB HYP A 6 -6.345 18.265 0.179 1.00 89.50 C +HETATM 36 CG HYP A 6 -6.176 19.747 -0.083 1.00 86.84 C +HETATM 37 CD HYP A 6 -6.722 20.386 1.196 1.00 89.57 C +HETATM 38 OD1 HYP A 6 -6.923 20.165 -1.188 1.00 88.58 O +ATOM 39 N GLY A 7 -8.368 15.896 1.478 1.00 94.63 N +ATOM 40 CA GLY A 7 -8.454 14.709 2.299 1.00 93.95 C +ATOM 41 C GLY A 7 -7.100 14.070 2.534 1.00 94.04 C +ATOM 42 O GLY A 7 -6.103 14.442 1.908 1.00 93.30 O +ATOM 43 N PRO A 8 -7.049 13.086 3.434 1.00 92.20 N +ATOM 44 CA PRO A 8 -5.795 12.397 3.725 1.00 92.35 C +ATOM 45 C PRO A 8 -5.382 11.491 2.570 1.00 92.32 C +ATOM 46 O PRO A 8 -6.185 11.153 1.712 1.00 90.93 O +ATOM 47 CB PRO A 8 -6.107 11.597 4.985 1.00 90.52 C +ATOM 48 CG PRO A 8 -7.561 11.322 4.869 1.00 90.03 C +ATOM 49 CD PRO A 8 -8.153 12.559 4.225 1.00 91.51 C +HETATM 50 N HYP A 9 -4.156 11.080 2.540 1.00 91.29 N +HETATM 51 CA HYP A 9 -3.636 10.118 1.557 1.00 93.45 C +HETATM 52 C HYP A 9 -4.353 8.793 1.626 1.00 92.78 C +HETATM 53 O HYP A 9 -4.809 8.360 2.727 1.00 91.45 O +HETATM 54 CB HYP A 9 -2.148 9.942 2.069 1.00 91.46 C +HETATM 55 CG HYP A 9 -1.825 11.226 2.749 1.00 89.52 C +HETATM 56 CD HYP A 9 -3.143 11.585 3.433 1.00 91.55 C +HETATM 57 OD1 HYP A 9 -1.495 12.237 1.814 1.00 88.89 O +ATOM 58 N GLY A 10 -4.475 8.124 0.485 1.00 93.65 N +ATOM 59 CA GLY A 10 -5.076 6.817 0.428 1.00 92.79 C +ATOM 60 C GLY A 10 -4.252 5.776 1.162 1.00 93.14 C +ATOM 61 O GLY A 10 -3.111 6.021 1.564 1.00 91.80 O +ATOM 62 N GLN A 11 -4.846 4.587 1.333 1.00 92.12 N +ATOM 63 CA GLN A 11 -4.170 3.487 2.001 1.00 92.16 C +ATOM 64 C GLN A 11 -2.986 2.999 1.187 1.00 91.91 C +ATOM 65 O GLN A 11 -2.959 3.134 -0.029 1.00 89.84 O +ATOM 66 CB GLN A 11 -5.130 2.332 2.216 1.00 89.58 C +ATOM 67 CG GLN A 11 -6.213 2.639 3.231 1.00 84.25 C +ATOM 68 CD GLN A 11 -7.038 1.418 3.552 1.00 81.35 C +ATOM 69 OE1 GLN A 11 -7.137 0.494 2.751 1.00 76.49 O +ATOM 70 NE2 GLN A 11 -7.639 1.398 4.733 1.00 74.38 N +HETATM 71 N HYP A 12 -2.010 2.390 1.860 1.00 92.32 N +HETATM 72 CA HYP A 12 -0.882 1.766 1.152 1.00 92.33 C +HETATM 73 C HYP A 12 -1.355 0.617 0.264 1.00 93.92 C +HETATM 74 O HYP A 12 -2.397 -0.023 0.550 1.00 92.35 O +HETATM 75 CB HYP A 12 -0.081 1.142 2.372 1.00 91.04 C +HETATM 76 CG HYP A 12 -0.372 2.056 3.503 1.00 87.70 C +HETATM 77 CD HYP A 12 -1.815 2.396 3.295 1.00 92.36 C +HETATM 78 OD1 HYP A 12 0.397 3.234 3.427 1.00 89.86 O +ATOM 79 N GLY A 13 -0.627 0.386 -0.795 1.00 95.21 N +ATOM 80 CA GLY A 13 -0.937 -0.698 -1.691 1.00 94.48 C +ATOM 81 C GLY A 13 -0.706 -2.053 -1.037 1.00 94.83 C +ATOM 82 O GLY A 13 -0.166 -2.142 0.069 1.00 94.57 O +ATOM 83 N PRO A 14 -1.108 -3.134 -1.721 1.00 93.90 N +ATOM 84 CA PRO A 14 -0.921 -4.472 -1.178 1.00 94.26 C +ATOM 85 C PRO A 14 0.545 -4.888 -1.198 1.00 94.31 C +ATOM 86 O PRO A 14 1.352 -4.301 -1.908 1.00 93.62 O +ATOM 87 CB PRO A 14 -1.765 -5.348 -2.102 1.00 93.02 C +ATOM 88 CG PRO A 14 -1.759 -4.617 -3.398 1.00 91.46 C +ATOM 89 CD PRO A 14 -1.762 -3.164 -3.027 1.00 92.61 C +HETATM 90 N HYP A 15 0.901 -5.920 -0.435 1.00 89.67 N +HETATM 91 CA HYP A 15 2.238 -6.467 -0.432 1.00 93.37 C +HETATM 92 C HYP A 15 2.686 -6.984 -1.812 1.00 93.28 C +HETATM 93 O HYP A 15 1.861 -7.456 -2.609 1.00 92.36 O +HETATM 94 CB HYP A 15 2.078 -7.710 0.533 1.00 89.73 C +HETATM 95 CG HYP A 15 0.984 -7.265 1.445 1.00 86.00 C +HETATM 96 CD HYP A 15 0.033 -6.524 0.527 1.00 90.27 C +HETATM 97 OD1 HYP A 15 1.444 -6.383 2.439 1.00 91.34 O +ATOM 98 N GLY A 16 3.946 -6.819 -2.096 1.00 95.44 N +ATOM 99 CA GLY A 16 4.496 -7.318 -3.328 1.00 94.87 C +ATOM 100 C GLY A 16 4.515 -8.840 -3.354 1.00 95.31 C +ATOM 101 O GLY A 16 4.218 -9.494 -2.349 1.00 95.23 O +ATOM 102 N PRO A 17 4.866 -9.412 -4.506 1.00 93.23 N +ATOM 103 CA PRO A 17 4.912 -10.870 -4.622 1.00 93.45 C +ATOM 104 C PRO A 17 6.078 -11.454 -3.835 1.00 93.52 C +ATOM 105 O PRO A 17 7.023 -10.757 -3.491 1.00 92.65 O +ATOM 106 CB PRO A 17 5.079 -11.093 -6.126 1.00 91.97 C +ATOM 107 CG PRO A 17 5.780 -9.870 -6.594 1.00 89.89 C +ATOM 108 CD PRO A 17 5.237 -8.749 -5.751 1.00 91.72 C +HETATM 109 N HYP A 18 6.044 -12.738 -3.552 1.00 90.37 N +HETATM 110 CA HYP A 18 7.126 -13.448 -2.925 1.00 92.95 C +HETATM 111 C HYP A 18 8.441 -13.359 -3.697 1.00 90.76 C +HETATM 112 O HYP A 18 8.451 -13.275 -4.934 1.00 92.79 O +HETATM 113 CB HYP A 18 6.610 -14.904 -2.893 1.00 90.98 C +HETATM 114 CG HYP A 18 5.127 -14.743 -2.851 1.00 86.91 C +HETATM 115 CD HYP A 18 4.882 -13.543 -3.741 1.00 89.82 C +HETATM 116 OD1 HYP A 18 4.645 -14.464 -1.559 1.00 91.59 O +ATOM 117 N GLY A 19 9.555 -13.314 -2.983 1.00 94.33 N +ATOM 118 CA GLY A 19 10.859 -13.269 -3.588 1.00 93.78 C +ATOM 119 C GLY A 19 11.179 -14.560 -4.329 1.00 94.10 C +ATOM 120 O GLY A 19 10.429 -15.534 -4.259 1.00 93.90 O +ATOM 121 N PRO A 20 12.310 -14.582 -5.023 1.00 90.23 N +ATOM 122 CA PRO A 20 12.690 -15.774 -5.774 1.00 90.16 C +ATOM 123 C PRO A 20 13.091 -16.912 -4.850 1.00 89.91 C +ATOM 124 O PRO A 20 13.410 -16.702 -3.687 1.00 89.25 O +ATOM 125 CB PRO A 20 13.864 -15.290 -6.628 1.00 86.95 C +ATOM 126 CG PRO A 20 14.445 -14.176 -5.833 1.00 82.66 C +ATOM 127 CD PRO A 20 13.277 -13.500 -5.169 1.00 85.60 C +HETATM 128 N HYP A 21 13.105 -18.134 -5.328 1.00 93.35 N +HETATM 129 CA HYP A 21 13.529 -19.299 -4.633 1.00 92.76 C +HETATM 130 C HYP A 21 14.976 -19.237 -4.107 1.00 93.87 C +HETATM 131 O HYP A 21 15.802 -18.574 -4.755 1.00 92.65 O +HETATM 132 CB HYP A 21 13.409 -20.442 -5.661 1.00 92.56 C +HETATM 133 CG HYP A 21 12.345 -19.968 -6.588 1.00 91.28 C +HETATM 134 CD HYP A 21 12.579 -18.466 -6.642 1.00 93.12 C +HETATM 135 OD1 HYP A 21 11.062 -20.221 -6.067 1.00 90.52 O +ATOM 136 N GLY A 22 15.258 -19.796 -3.004 1.00 90.10 N +ATOM 137 CA GLY A 22 16.592 -19.854 -2.477 1.00 88.89 C +ATOM 138 C GLY A 22 17.510 -20.688 -3.363 1.00 88.62 C +ATOM 139 O GLY A 22 17.068 -21.280 -4.353 1.00 87.73 O +ATOM 140 N PRO A 23 18.807 -20.773 -3.006 1.00 89.01 N +ATOM 141 CA PRO A 23 19.745 -21.533 -3.825 1.00 89.49 C +ATOM 142 C PRO A 23 19.481 -23.031 -3.732 1.00 88.82 C +ATOM 143 O PRO A 23 18.910 -23.507 -2.756 1.00 85.81 O +ATOM 144 CB PRO A 23 21.110 -21.162 -3.241 1.00 85.17 C +ATOM 145 CG PRO A 23 20.804 -20.835 -1.826 1.00 81.00 C +ATOM 146 CD PRO A 23 19.451 -20.174 -1.840 1.00 84.13 C +HETATM 147 N HYP A 24 19.936 -23.795 -4.667 1.00 91.56 N +HETATM 148 CA HYP A 24 19.739 -25.236 -4.626 1.00 89.43 C +HETATM 149 C HYP A 24 20.491 -25.874 -3.445 1.00 91.19 C +HETATM 150 O HYP A 24 21.480 -25.265 -3.011 1.00 89.33 O +HETATM 151 CB HYP A 24 20.475 -25.718 -5.949 1.00 91.26 C +HETATM 152 CG HYP A 24 20.558 -24.532 -6.829 1.00 90.34 C +HETATM 153 CD HYP A 24 20.613 -23.348 -5.870 1.00 90.77 C +HETATM 154 OD1 HYP A 24 19.374 -24.425 -7.580 1.00 88.24 O +HETATM 155 OXT HYP A 24 20.087 -26.976 -3.029 1.00 85.28 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_570.txt b/protein_pdb_570.txt new file mode 100644 index 0000000000000000000000000000000000000000..d0474e4ff624457fcd88f51fec9f3aabb059e5e1 --- /dev/null +++ b/protein_pdb_570.txt @@ -0,0 +1,179 @@ +ATOM 1 N GLY A 1 16.341 5.246 2.484 1.00 74.51 N +ATOM 2 CA GLY A 1 15.228 5.911 3.143 1.00 76.64 C +ATOM 3 C GLY A 1 14.218 4.912 3.649 1.00 78.73 C +ATOM 4 O GLY A 1 14.366 3.703 3.435 1.00 74.81 O +ATOM 5 N PRO A 2 13.201 5.395 4.311 1.00 75.94 N +ATOM 6 CA PRO A 2 12.193 4.506 4.872 1.00 78.75 C +ATOM 7 C PRO A 2 11.331 3.886 3.790 1.00 79.12 C +ATOM 8 O PRO A 2 11.281 4.356 2.664 1.00 76.56 O +ATOM 9 CB PRO A 2 11.367 5.428 5.762 1.00 75.56 C +ATOM 10 CG PRO A 2 11.477 6.760 5.109 1.00 71.94 C +ATOM 11 CD PRO A 2 12.876 6.807 4.550 1.00 72.13 C +HETATM 12 N HYP A 3 10.681 2.866 4.182 1.00 75.07 N +HETATM 13 CA HYP A 3 9.731 2.245 3.269 1.00 84.29 C +HETATM 14 C HYP A 3 8.681 3.194 2.840 1.00 80.98 C +HETATM 15 O HYP A 3 8.305 4.121 3.590 1.00 79.93 O +HETATM 16 CB HYP A 3 9.221 1.082 4.087 1.00 76.75 C +HETATM 17 CG HYP A 3 10.360 0.772 5.018 1.00 74.90 C +HETATM 18 CD HYP A 3 10.868 2.160 5.383 1.00 75.37 C +HETATM 19 OD1 HYP A 3 11.357 0.066 4.345 1.00 76.63 O +ATOM 20 N GLY A 4 8.241 2.984 1.610 1.00 78.24 N +ATOM 21 CA GLY A 4 7.141 3.765 1.114 1.00 75.98 C +ATOM 22 C GLY A 4 5.856 3.467 1.872 1.00 75.81 C +ATOM 23 O GLY A 4 5.801 2.576 2.721 1.00 74.72 O +ATOM 24 N PRO A 5 4.815 4.224 1.567 1.00 77.60 N +ATOM 25 CA PRO A 5 3.541 4.021 2.236 1.00 77.87 C +ATOM 26 C PRO A 5 2.899 2.718 1.803 1.00 77.74 C +ATOM 27 O PRO A 5 3.234 2.146 0.771 1.00 75.52 O +ATOM 28 CB PRO A 5 2.714 5.220 1.783 1.00 74.39 C +ATOM 29 CG PRO A 5 3.275 5.553 0.449 1.00 70.46 C +ATOM 30 CD PRO A 5 4.747 5.277 0.548 1.00 71.14 C +HETATM 31 N HYP A 6 1.939 2.261 2.622 1.00 80.05 N +HETATM 32 CA HYP A 6 1.218 1.097 2.228 1.00 86.79 C +HETATM 33 C HYP A 6 0.562 1.234 0.911 1.00 82.35 C +HETATM 34 O HYP A 6 0.186 2.349 0.498 1.00 82.06 O +HETATM 35 CB HYP A 6 0.258 0.934 3.392 1.00 77.24 C +HETATM 36 CG HYP A 6 0.948 1.598 4.557 1.00 74.61 C +HETATM 37 CD HYP A 6 1.588 2.777 3.903 1.00 80.44 C +HETATM 38 OD1 HYP A 6 1.944 0.748 5.089 1.00 78.79 O +ATOM 39 N GLY A 7 0.474 0.155 0.188 1.00 81.41 N +ATOM 40 CA GLY A 7 -0.248 0.136 -1.050 1.00 78.79 C +ATOM 41 C GLY A 7 -1.720 0.432 -0.845 1.00 79.24 C +ATOM 42 O GLY A 7 -2.201 0.540 0.286 1.00 76.92 O +ATOM 43 N PRO A 8 -2.435 0.549 -1.934 1.00 83.34 N +ATOM 44 CA PRO A 8 -3.856 0.838 -1.845 1.00 81.87 C +ATOM 45 C PRO A 8 -4.625 -0.362 -1.316 1.00 82.62 C +ATOM 46 O PRO A 8 -4.149 -1.491 -1.346 1.00 80.46 O +ATOM 47 CB PRO A 8 -4.245 1.157 -3.283 1.00 78.92 C +ATOM 48 CG PRO A 8 -3.272 0.374 -4.097 1.00 77.22 C +ATOM 49 CD PRO A 8 -1.988 0.401 -3.319 1.00 78.28 C +HETATM 50 N HYP A 9 -5.832 -0.080 -0.836 1.00 80.77 N +HETATM 51 CA HYP A 9 -6.676 -1.159 -0.416 1.00 86.06 C +HETATM 52 C HYP A 9 -6.894 -2.148 -1.483 1.00 83.86 C +HETATM 53 O HYP A 9 -6.876 -1.824 -2.672 1.00 82.37 O +HETATM 54 CB HYP A 9 -7.880 -0.397 0.053 1.00 81.58 C +HETATM 55 CG HYP A 9 -7.364 0.944 0.475 1.00 79.64 C +HETATM 56 CD HYP A 9 -6.372 1.230 -0.569 1.00 82.50 C +HETATM 57 OD1 HYP A 9 -6.704 0.895 1.736 1.00 81.59 O +ATOM 58 N GLY A 10 -7.127 -3.397 -1.097 1.00 81.40 N +ATOM 59 CA GLY A 10 -7.471 -4.431 -2.032 1.00 78.56 C +ATOM 60 C GLY A 10 -8.789 -4.161 -2.725 1.00 79.11 C +ATOM 61 O GLY A 10 -9.483 -3.186 -2.428 1.00 76.88 O +ATOM 62 N PRO A 11 -9.148 -5.019 -3.660 1.00 81.01 N +ATOM 63 CA PRO A 11 -10.377 -4.808 -4.415 1.00 80.39 C +ATOM 64 C PRO A 11 -11.608 -4.991 -3.545 1.00 80.74 C +ATOM 65 O PRO A 11 -11.609 -5.765 -2.600 1.00 77.93 O +ATOM 66 CB PRO A 11 -10.308 -5.868 -5.510 1.00 77.53 C +ATOM 67 CG PRO A 11 -9.455 -6.930 -4.932 1.00 75.76 C +ATOM 68 CD PRO A 11 -8.450 -6.230 -4.064 1.00 76.15 C +HETATM 69 N HYP A 12 -12.753 -4.282 -3.935 1.00 79.35 N +HETATM 70 CA HYP A 12 -13.920 -4.378 -3.254 1.00 81.69 C +HETATM 71 C HYP A 12 -14.592 -5.772 -3.462 1.00 79.20 C +HETATM 72 O HYP A 12 -14.576 -6.263 -4.542 1.00 79.60 O +HETATM 73 CB HYP A 12 -14.900 -3.405 -3.867 1.00 76.66 C +HETATM 74 CG HYP A 12 -14.008 -2.425 -4.517 1.00 70.41 C +HETATM 75 CD HYP A 12 -12.871 -3.246 -4.951 1.00 77.90 C +HETATM 76 OD1 HYP A 12 -13.540 -1.488 -3.570 1.00 75.39 O +ATOM 77 N ALA A 13 -15.003 -6.402 -2.522 1.00 74.64 N +ATOM 78 CA ALA A 13 -15.637 -7.703 -2.620 1.00 75.19 C +ATOM 79 C ALA A 13 -16.596 -7.840 -1.450 1.00 78.30 C +ATOM 80 O ALA A 13 -16.454 -8.725 -0.612 1.00 73.86 O +ATOM 81 CB ALA A 13 -14.599 -8.810 -2.627 1.00 70.39 C +ATOM 82 N GLY A 14 -17.550 -6.951 -1.403 1.00 78.86 N +ATOM 83 CA GLY A 14 -18.361 -6.821 -0.211 1.00 76.68 C +ATOM 84 C GLY A 14 -17.565 -6.016 0.798 1.00 77.60 C +ATOM 85 O GLY A 14 -17.471 -4.789 0.675 1.00 76.02 O +ATOM 86 N PRO A 15 -16.950 -6.653 1.761 1.00 78.34 N +ATOM 87 CA PRO A 15 -16.028 -5.926 2.631 1.00 78.58 C +ATOM 88 C PRO A 15 -14.832 -5.445 1.834 1.00 77.92 C +ATOM 89 O PRO A 15 -14.453 -6.058 0.842 1.00 75.14 O +ATOM 90 CB PRO A 15 -15.612 -6.961 3.678 1.00 76.64 C +ATOM 91 CG PRO A 15 -16.632 -8.036 3.588 1.00 74.51 C +ATOM 92 CD PRO A 15 -17.067 -8.053 2.161 1.00 74.58 C +HETATM 93 N HYP A 16 -14.202 -4.350 2.277 1.00 76.66 N +HETATM 94 CA HYP A 16 -13.013 -3.918 1.620 1.00 79.25 C +HETATM 95 C HYP A 16 -11.891 -4.938 1.674 1.00 80.96 C +HETATM 96 O HYP A 16 -11.764 -5.663 2.682 1.00 79.89 O +HETATM 97 CB HYP A 16 -12.672 -2.621 2.282 1.00 76.03 C +HETATM 98 CG HYP A 16 -14.020 -2.092 2.693 1.00 74.59 C +HETATM 99 CD HYP A 16 -14.712 -3.357 3.147 1.00 80.13 C +HETATM 100 OD1 HYP A 16 -14.680 -1.543 1.596 1.00 77.27 O +ATOM 101 N GLY A 17 -11.169 -5.066 0.602 1.00 77.94 N +ATOM 102 CA GLY A 17 -10.027 -5.939 0.594 1.00 75.39 C +ATOM 103 C GLY A 17 -8.956 -5.448 1.553 1.00 76.62 C +ATOM 104 O GLY A 17 -9.040 -4.345 2.092 1.00 74.43 O +ATOM 105 N PRO A 18 -7.951 -6.263 1.761 1.00 79.74 N +ATOM 106 CA PRO A 18 -6.862 -5.861 2.638 1.00 78.96 C +ATOM 107 C PRO A 18 -6.012 -4.784 1.993 1.00 79.51 C +ATOM 108 O PRO A 18 -6.007 -4.628 0.779 1.00 76.87 O +ATOM 109 CB PRO A 18 -6.068 -7.147 2.839 1.00 76.62 C +ATOM 110 CG PRO A 18 -6.305 -7.906 1.579 1.00 74.09 C +ATOM 111 CD PRO A 18 -7.720 -7.586 1.180 1.00 74.18 C +HETATM 112 N HYP A 19 -5.276 -4.074 2.826 1.00 82.65 N +HETATM 113 CA HYP A 19 -4.363 -3.114 2.274 1.00 86.66 C +HETATM 114 C HYP A 19 -3.353 -3.739 1.371 1.00 85.36 C +HETATM 115 O HYP A 19 -2.970 -4.897 1.561 1.00 83.82 O +HETATM 116 CB HYP A 19 -3.769 -2.480 3.500 1.00 81.89 C +HETATM 117 CG HYP A 19 -4.830 -2.665 4.566 1.00 77.75 C +HETATM 118 CD HYP A 19 -5.355 -4.038 4.240 1.00 82.19 C +HETATM 119 OD1 HYP A 19 -5.866 -1.716 4.425 1.00 79.15 O +ATOM 120 N GLY A 20 -2.953 -3.004 0.385 1.00 79.92 N +ATOM 121 CA GLY A 20 -1.894 -3.459 -0.468 1.00 78.17 C +ATOM 122 C GLY A 20 -0.573 -3.541 0.281 1.00 79.01 C +ATOM 123 O GLY A 20 -0.464 -3.151 1.437 1.00 76.69 O +ATOM 124 N PRO A 21 0.423 -4.058 -0.396 1.00 82.13 N +ATOM 125 CA PRO A 21 1.733 -4.175 0.229 1.00 81.25 C +ATOM 126 C PRO A 21 2.375 -2.813 0.418 1.00 81.64 C +ATOM 127 O PRO A 21 1.995 -1.834 -0.215 1.00 78.73 O +ATOM 128 CB PRO A 21 2.519 -5.028 -0.761 1.00 78.59 C +ATOM 129 CG PRO A 21 1.887 -4.724 -2.074 1.00 77.04 C +ATOM 130 CD PRO A 21 0.431 -4.523 -1.782 1.00 77.61 C +HETATM 131 N HYP A 22 3.372 -2.777 1.299 1.00 82.88 N +HETATM 132 CA HYP A 22 4.106 -1.562 1.440 1.00 87.98 C +HETATM 133 C HYP A 22 4.718 -1.098 0.179 1.00 85.27 C +HETATM 134 O HYP A 22 5.066 -1.911 -0.673 1.00 85.26 O +HETATM 135 CB HYP A 22 5.091 -1.915 2.519 1.00 83.70 C +HETATM 136 CG HYP A 22 4.391 -3.003 3.287 1.00 82.03 C +HETATM 137 CD HYP A 22 3.727 -3.778 2.224 1.00 83.95 C +HETATM 138 OD1 HYP A 22 3.401 -2.484 4.163 1.00 82.02 O +ATOM 139 N GLY A 23 4.808 0.197 0.023 1.00 83.02 N +ATOM 140 CA GLY A 23 5.475 0.770 -1.110 1.00 80.56 C +ATOM 141 C GLY A 23 6.968 0.486 -1.089 1.00 81.10 C +ATOM 142 O GLY A 23 7.502 -0.086 -0.139 1.00 79.65 O +ATOM 143 N PRO A 24 7.628 0.888 -2.144 1.00 82.04 N +ATOM 144 CA PRO A 24 9.062 0.673 -2.215 1.00 81.25 C +ATOM 145 C PRO A 24 9.796 1.574 -1.235 1.00 82.14 C +ATOM 146 O PRO A 24 9.263 2.563 -0.753 1.00 79.82 O +ATOM 147 CB PRO A 24 9.403 1.030 -3.660 1.00 78.39 C +ATOM 148 CG PRO A 24 8.366 2.027 -4.030 1.00 77.33 C +ATOM 149 CD PRO A 24 7.114 1.594 -3.315 1.00 78.74 C +HETATM 150 N HYP A 25 11.047 1.226 -0.943 1.00 84.86 N +HETATM 151 CA HYP A 25 11.827 2.048 -0.132 1.00 86.99 C +HETATM 152 C HYP A 25 11.982 3.443 -0.664 1.00 86.57 C +HETATM 153 O HYP A 25 11.999 3.621 -1.890 1.00 84.97 O +HETATM 154 CB HYP A 25 13.157 1.315 -0.118 1.00 85.20 C +HETATM 155 CG HYP A 25 12.798 -0.110 -0.343 1.00 82.61 C +HETATM 156 CD HYP A 25 11.691 -0.010 -1.309 1.00 84.26 C +HETATM 157 OD1 HYP A 25 12.280 -0.715 0.842 1.00 83.04 O +ATOM 158 N GLY A 26 11.971 4.406 0.237 1.00 81.44 N +ATOM 159 CA GLY A 26 12.197 5.777 -0.146 1.00 80.07 C +ATOM 160 C GLY A 26 13.644 6.001 -0.559 1.00 80.60 C +ATOM 161 O GLY A 26 14.471 5.090 -0.536 1.00 78.87 O +ATOM 162 N PRO A 27 13.953 7.237 -0.932 1.00 79.24 N +ATOM 163 CA PRO A 27 15.319 7.543 -1.327 1.00 82.05 C +ATOM 164 C PRO A 27 16.240 7.493 -0.123 1.00 81.83 C +ATOM 165 O PRO A 27 15.802 7.603 1.015 1.00 77.60 O +ATOM 166 CB PRO A 27 15.203 8.949 -1.905 1.00 77.89 C +ATOM 167 CG PRO A 27 14.043 9.537 -1.192 1.00 74.54 C +ATOM 168 CD PRO A 27 13.084 8.395 -0.966 1.00 76.66 C +HETATM 169 N HYP A 28 17.544 7.417 -0.328 1.00 81.58 N +HETATM 170 CA HYP A 28 18.358 7.363 0.775 1.00 81.51 C +HETATM 171 C HYP A 28 18.063 8.364 1.840 1.00 77.65 C +HETATM 172 O HYP A 28 17.819 9.522 1.443 1.00 76.34 O +HETATM 173 CB HYP A 28 19.800 7.407 0.283 1.00 81.69 C +HETATM 174 CG HYP A 28 19.662 7.078 -1.177 1.00 77.53 C +HETATM 175 CD HYP A 28 18.291 7.477 -1.576 1.00 78.42 C +HETATM 176 OD1 HYP A 28 19.733 5.655 -1.358 1.00 78.04 O +HETATM 177 OXT HYP A 28 18.140 7.971 3.024 1.00 70.54 O +TER 178 HYP A 28 +END diff --git a/protein_pdb_571.txt b/protein_pdb_571.txt new file mode 100644 index 0000000000000000000000000000000000000000..f0dfa37f9cfcb57a27e8237d2a3884862646d20a --- /dev/null +++ b/protein_pdb_571.txt @@ -0,0 +1,173 @@ +ATOM 1 N GLY A 1 23.370 1.094 31.079 1.00 88.50 N +ATOM 2 CA GLY A 1 22.085 1.724 31.397 1.00 91.01 C +ATOM 3 C GLY A 1 20.918 0.879 30.950 1.00 91.51 C +ATOM 4 O GLY A 1 21.104 -0.114 30.246 1.00 88.48 O +ATOM 5 N PRO A 2 19.716 1.252 31.325 1.00 95.22 N +ATOM 6 CA PRO A 2 18.524 0.497 30.923 1.00 95.67 C +ATOM 7 C PRO A 2 18.250 0.663 29.433 1.00 95.84 C +ATOM 8 O PRO A 2 18.734 1.592 28.796 1.00 94.33 O +ATOM 9 CB PRO A 2 17.405 1.107 31.763 1.00 93.99 C +ATOM 10 CG PRO A 2 17.868 2.500 32.024 1.00 92.15 C +ATOM 11 CD PRO A 2 19.366 2.400 32.164 1.00 93.76 C +HETATM 12 N HYP A 3 17.521 -0.241 28.899 1.00 95.79 N +HETATM 13 CA HYP A 3 17.079 -0.153 27.500 1.00 94.16 C +HETATM 14 C HYP A 3 16.293 1.108 27.218 1.00 95.96 C +HETATM 15 O HYP A 3 15.598 1.625 28.096 1.00 94.49 O +HETATM 16 CB HYP A 3 16.203 -1.383 27.336 1.00 91.38 C +HETATM 17 CG HYP A 3 16.665 -2.346 28.414 1.00 90.44 C +HETATM 18 CD HYP A 3 17.027 -1.396 29.568 1.00 93.17 C +HETATM 19 OD1 HYP A 3 17.811 -3.069 28.041 1.00 91.98 O +ATOM 20 N GLY A 4 16.465 1.647 25.998 1.00 95.44 N +ATOM 21 CA GLY A 4 15.757 2.844 25.618 1.00 95.38 C +ATOM 22 C GLY A 4 14.275 2.573 25.435 1.00 95.52 C +ATOM 23 O GLY A 4 13.840 1.417 25.435 1.00 94.73 O +ATOM 24 N PRO A 5 13.493 3.633 25.267 1.00 95.91 N +ATOM 25 CA PRO A 5 12.053 3.458 25.075 1.00 96.15 C +ATOM 26 C PRO A 5 11.751 2.831 23.720 1.00 96.40 C +ATOM 27 O PRO A 5 12.561 2.892 22.799 1.00 95.77 O +ATOM 28 CB PRO A 5 11.508 4.885 25.170 1.00 94.83 C +ATOM 29 CG PRO A 5 12.646 5.726 24.720 1.00 93.39 C +ATOM 30 CD PRO A 5 13.881 5.034 25.239 1.00 95.15 C +HETATM 31 N HYP A 6 10.623 2.236 23.607 1.00 96.06 N +HETATM 32 CA HYP A 6 10.148 1.708 22.331 1.00 95.88 C +HETATM 33 C HYP A 6 10.032 2.734 21.276 1.00 96.76 C +HETATM 34 O HYP A 6 9.687 3.865 21.579 1.00 95.41 O +HETATM 35 CB HYP A 6 8.766 1.062 22.666 1.00 93.73 C +HETATM 36 CG HYP A 6 8.863 0.743 24.145 1.00 91.51 C +HETATM 37 CD HYP A 6 9.730 1.894 24.679 1.00 94.62 C +HETATM 38 OD1 HYP A 6 9.514 -0.489 24.365 1.00 90.94 O +ATOM 39 N GLY A 7 10.342 2.390 20.000 1.00 95.43 N +ATOM 40 CA GLY A 7 10.260 3.312 18.890 1.00 95.35 C +ATOM 41 C GLY A 7 8.817 3.697 18.606 1.00 95.70 C +ATOM 42 O GLY A 7 7.876 3.046 19.067 1.00 95.06 O +ATOM 43 N ILE A 8 8.664 4.756 17.816 1.00 93.98 N +ATOM 44 CA ILE A 8 7.326 5.198 17.454 1.00 93.87 C +ATOM 45 C ILE A 8 6.726 4.251 16.418 1.00 94.24 C +ATOM 46 O ILE A 8 7.440 3.585 15.663 1.00 93.49 O +ATOM 47 CB ILE A 8 7.332 6.642 16.916 1.00 92.89 C +ATOM 48 CG1 ILE A 8 8.201 6.748 15.665 1.00 88.19 C +ATOM 49 CG2 ILE A 8 7.813 7.598 18.005 1.00 85.99 C +ATOM 50 CD1 ILE A 8 8.062 8.082 14.956 1.00 81.76 C +ATOM 51 N THR A 9 5.408 4.204 16.376 1.00 93.08 N +ATOM 52 CA THR A 9 4.706 3.371 15.405 1.00 92.35 C +ATOM 53 C THR A 9 4.965 3.900 14.003 1.00 92.76 C +ATOM 54 O THR A 9 5.014 5.112 13.790 1.00 90.60 O +ATOM 55 CB THR A 9 3.200 3.365 15.702 1.00 89.65 C +ATOM 56 OG1 THR A 9 2.985 2.907 17.035 1.00 85.59 O +ATOM 57 CG2 THR A 9 2.450 2.459 14.743 1.00 82.45 C +ATOM 58 N GLY A 10 5.148 3.005 13.058 1.00 93.79 N +ATOM 59 CA GLY A 10 5.395 3.415 11.689 1.00 93.14 C +ATOM 60 C GLY A 10 4.206 4.114 11.062 1.00 93.12 C +ATOM 61 O GLY A 10 3.079 4.026 11.555 1.00 92.62 O +ATOM 62 N ALA A 11 4.466 4.798 9.972 1.00 93.62 N +ATOM 63 CA ALA A 11 3.417 5.504 9.260 1.00 93.83 C +ATOM 64 C ALA A 11 2.426 4.526 8.648 1.00 94.19 C +ATOM 65 O ALA A 11 2.767 3.390 8.317 1.00 91.98 O +ATOM 66 CB ALA A 11 4.027 6.371 8.161 1.00 91.70 C +ATOM 67 N ARG A 12 1.194 4.967 8.491 1.00 92.16 N +ATOM 68 CA ARG A 12 0.163 4.167 7.848 1.00 92.79 C +ATOM 69 C ARG A 12 0.550 3.944 6.383 1.00 92.44 C +ATOM 70 O ARG A 12 1.044 4.852 5.720 1.00 88.52 O +ATOM 71 CB ARG A 12 -1.184 4.893 7.944 1.00 89.02 C +ATOM 72 CG ARG A 12 -2.347 4.118 7.373 1.00 83.30 C +ATOM 73 CD ARG A 12 -3.625 4.921 7.467 1.00 79.91 C +ATOM 74 NE ARG A 12 -3.951 5.260 8.842 1.00 75.22 N +ATOM 75 CZ ARG A 12 -5.077 4.948 9.450 1.00 71.03 C +ATOM 76 NH1 ARG A 12 -6.041 4.300 8.805 1.00 68.12 N +ATOM 77 NH2 ARG A 12 -5.266 5.295 10.705 1.00 64.94 N +ATOM 78 N GLY A 13 0.311 2.747 5.898 1.00 93.48 N +ATOM 79 CA GLY A 13 0.609 2.453 4.505 1.00 92.26 C +ATOM 80 C GLY A 13 -0.254 3.273 3.558 1.00 92.70 C +ATOM 81 O GLY A 13 -1.324 3.754 3.925 1.00 91.88 O +ATOM 82 N LEU A 14 0.222 3.421 2.333 1.00 91.69 N +ATOM 83 CA LEU A 14 -0.523 4.143 1.315 1.00 92.28 C +ATOM 84 C LEU A 14 -1.750 3.346 0.892 1.00 92.70 C +ATOM 85 O LEU A 14 -1.754 2.119 0.934 1.00 91.31 O +ATOM 86 CB LEU A 14 0.345 4.396 0.082 1.00 89.96 C +ATOM 87 CG LEU A 14 1.579 5.267 0.272 1.00 82.97 C +ATOM 88 CD1 LEU A 14 2.359 5.318 -1.037 1.00 80.24 C +ATOM 89 CD2 LEU A 14 1.188 6.664 0.710 1.00 78.30 C +ATOM 90 N ALA A 15 -2.785 4.064 0.467 1.00 87.91 N +ATOM 91 CA ALA A 15 -3.962 3.404 -0.067 1.00 89.47 C +ATOM 92 C ALA A 15 -3.581 2.681 -1.351 1.00 90.45 C +ATOM 93 O ALA A 15 -2.704 3.130 -2.092 1.00 86.93 O +ATOM 94 CB ALA A 15 -5.063 4.419 -0.354 1.00 86.31 C +ATOM 95 N GLY A 16 -4.232 1.560 -1.608 1.00 93.87 N +ATOM 96 CA GLY A 16 -3.973 0.832 -2.831 1.00 93.55 C +ATOM 97 C GLY A 16 -4.455 1.603 -4.048 1.00 94.32 C +ATOM 98 O GLY A 16 -5.206 2.574 -3.917 1.00 94.41 O +ATOM 99 N PRO A 17 -4.029 1.183 -5.244 1.00 92.04 N +ATOM 100 CA PRO A 17 -4.453 1.865 -6.460 1.00 92.25 C +ATOM 101 C PRO A 17 -5.928 1.622 -6.736 1.00 92.80 C +ATOM 102 O PRO A 17 -6.516 0.671 -6.235 1.00 92.32 O +ATOM 103 CB PRO A 17 -3.575 1.247 -7.548 1.00 89.78 C +ATOM 104 CG PRO A 17 -3.256 -0.103 -7.016 1.00 88.62 C +ATOM 105 CD PRO A 17 -3.126 0.072 -5.527 1.00 90.77 C +HETATM 106 N HYP A 18 -6.517 2.475 -7.556 1.00 90.15 N +HETATM 107 CA HYP A 18 -7.874 2.287 -7.990 1.00 90.26 C +HETATM 108 C HYP A 18 -8.067 0.958 -8.672 1.00 92.05 C +HETATM 109 O HYP A 18 -7.123 0.456 -9.320 1.00 92.03 O +HETATM 110 CB HYP A 18 -8.087 3.468 -8.929 1.00 89.78 C +HETATM 111 CG HYP A 18 -7.098 4.507 -8.492 1.00 89.18 C +HETATM 112 CD HYP A 18 -5.939 3.689 -8.067 1.00 90.38 C +HETATM 113 OD1 HYP A 18 -7.576 5.270 -7.390 1.00 89.51 O +ATOM 114 N GLY A 19 -9.219 0.359 -8.511 1.00 94.21 N +ATOM 115 CA GLY A 19 -9.521 -0.868 -9.195 1.00 93.75 C +ATOM 116 C GLY A 19 -9.624 -0.636 -10.688 1.00 94.20 C +ATOM 117 O GLY A 19 -9.666 0.510 -11.151 1.00 93.95 O +ATOM 118 N PRO A 20 -9.660 -1.715 -11.460 1.00 94.11 N +ATOM 119 CA PRO A 20 -9.761 -1.575 -12.909 1.00 93.88 C +ATOM 120 C PRO A 20 -11.124 -1.036 -13.315 1.00 93.93 C +ATOM 121 O PRO A 20 -12.092 -1.150 -12.567 1.00 92.92 O +ATOM 122 CB PRO A 20 -9.548 -3.005 -13.410 1.00 91.91 C +ATOM 123 CG PRO A 20 -10.028 -3.846 -12.282 1.00 90.24 C +ATOM 124 CD PRO A 20 -9.617 -3.104 -11.038 1.00 92.50 C +HETATM 125 N HYP A 21 -11.192 -0.473 -14.484 1.00 95.05 N +HETATM 126 CA HYP A 21 -12.471 -0.028 -15.046 1.00 93.15 C +HETATM 127 C HYP A 21 -13.454 -1.174 -15.138 1.00 95.07 C +HETATM 128 O HYP A 21 -13.047 -2.322 -15.359 1.00 92.99 O +HETATM 129 CB HYP A 21 -12.035 0.485 -16.425 1.00 92.11 C +HETATM 130 CG HYP A 21 -10.576 0.898 -16.289 1.00 90.65 C +HETATM 131 CD HYP A 21 -10.048 -0.129 -15.313 1.00 93.40 C +HETATM 132 OD1 HYP A 21 -10.447 2.190 -15.695 1.00 91.46 O +ATOM 133 N GLY A 22 -14.723 -0.905 -14.959 1.00 93.72 N +ATOM 134 CA GLY A 22 -15.744 -1.909 -15.080 1.00 93.29 C +ATOM 135 C GLY A 22 -15.826 -2.430 -16.507 1.00 93.00 C +ATOM 136 O GLY A 22 -15.219 -1.862 -17.416 1.00 92.26 O +ATOM 137 N PRO A 23 -16.580 -3.498 -16.713 1.00 93.64 N +ATOM 138 CA PRO A 23 -16.703 -4.063 -18.048 1.00 93.08 C +ATOM 139 C PRO A 23 -17.474 -3.130 -18.970 1.00 93.13 C +ATOM 140 O PRO A 23 -18.257 -2.303 -18.520 1.00 91.42 O +ATOM 141 CB PRO A 23 -17.453 -5.370 -17.806 1.00 90.64 C +ATOM 142 CG PRO A 23 -18.211 -5.120 -16.550 1.00 88.87 C +ATOM 143 CD PRO A 23 -17.320 -4.253 -15.709 1.00 91.65 C +HETATM 144 N HYP A 24 -17.271 -3.270 -20.263 1.00 91.95 N +HETATM 145 CA HYP A 24 -17.978 -2.490 -21.253 1.00 91.16 C +HETATM 146 C HYP A 24 -19.483 -2.715 -21.205 1.00 93.39 C +HETATM 147 O HYP A 24 -19.926 -3.792 -20.840 1.00 92.32 O +HETATM 148 CB HYP A 24 -17.416 -3.049 -22.595 1.00 90.99 C +HETATM 149 CG HYP A 24 -16.027 -3.577 -22.280 1.00 91.16 C +HETATM 150 CD HYP A 24 -16.210 -4.100 -20.845 1.00 90.98 C +HETATM 151 OD1 HYP A 24 -15.062 -2.529 -22.261 1.00 89.54 O +ATOM 152 N GLY A 25 -20.262 -1.697 -21.477 1.00 89.74 N +ATOM 153 CA GLY A 25 -21.692 -1.831 -21.524 1.00 89.77 C +ATOM 154 C GLY A 25 -22.112 -2.688 -22.702 1.00 90.04 C +ATOM 155 O GLY A 25 -21.276 -3.086 -23.522 1.00 88.29 O +ATOM 156 N PRO A 26 -23.407 -2.970 -22.838 1.00 90.44 N +ATOM 157 CA PRO A 26 -23.879 -3.808 -23.937 1.00 90.59 C +ATOM 158 C PRO A 26 -23.710 -3.110 -25.270 1.00 90.23 C +ATOM 159 O PRO A 26 -23.719 -1.882 -25.354 1.00 86.39 O +ATOM 160 CB PRO A 26 -25.349 -4.047 -23.599 1.00 86.82 C +ATOM 161 CG PRO A 26 -25.715 -2.884 -22.748 1.00 84.39 C +ATOM 162 CD PRO A 26 -24.484 -2.554 -21.957 1.00 87.06 C +HETATM 163 N HYP A 27 -23.592 -3.863 -26.385 1.00 90.45 N +HETATM 164 CA HYP A 27 -23.379 -3.196 -27.670 1.00 86.44 C +HETATM 165 C HYP A 27 -24.672 -2.450 -28.081 1.00 84.67 C +HETATM 166 O HYP A 27 -24.999 -2.211 -29.198 1.00 87.22 O +HETATM 167 CB HYP A 27 -23.245 -4.433 -28.622 1.00 84.91 C +HETATM 168 CG HYP A 27 -22.876 -5.630 -27.781 1.00 83.72 C +HETATM 169 CD HYP A 27 -23.471 -5.320 -26.427 1.00 88.21 C +HETATM 170 OD1 HYP A 27 -21.460 -5.674 -27.665 1.00 82.70 O +HETATM 171 OXT HYP A 27 -25.407 -2.082 -27.196 1.00 86.41 O +TER 172 HYP A 27 +END diff --git a/protein_pdb_572.txt b/protein_pdb_572.txt new file mode 100644 index 0000000000000000000000000000000000000000..ad4d403fd21f714144471bd99e3e7f80a1d36940 --- /dev/null +++ b/protein_pdb_572.txt @@ -0,0 +1,225 @@ +ATOM 1 N GLY A 1 20.625 -40.650 2.584 1.00 95.48 N +ATOM 2 CA GLY A 1 20.694 -39.741 1.440 1.00 96.29 C +ATOM 3 C GLY A 1 20.916 -38.307 1.876 1.00 96.32 C +ATOM 4 O GLY A 1 20.870 -38.008 3.071 1.00 94.62 O +ATOM 5 N PHE A 2 21.128 -37.398 0.913 1.00 98.16 N +ATOM 6 CA PHE A 2 21.326 -35.993 1.212 1.00 98.04 C +ATOM 7 C PHE A 2 19.997 -35.317 1.487 1.00 98.35 C +ATOM 8 O PHE A 2 18.966 -35.716 0.958 1.00 98.09 O +ATOM 9 CB PHE A 2 21.998 -35.279 0.048 1.00 96.65 C +ATOM 10 CG PHE A 2 23.404 -35.744 -0.202 1.00 91.84 C +ATOM 11 CD1 PHE A 2 24.414 -35.412 0.683 1.00 89.04 C +ATOM 12 CD2 PHE A 2 23.719 -36.487 -1.326 1.00 87.19 C +ATOM 13 CE1 PHE A 2 25.714 -35.831 0.457 1.00 86.60 C +ATOM 14 CE2 PHE A 2 25.015 -36.907 -1.557 1.00 85.75 C +ATOM 15 CZ PHE A 2 26.015 -36.576 -0.668 1.00 86.56 C +HETATM 16 N HYP A 3 20.030 -34.335 2.311 1.00 97.31 N +HETATM 17 CA HYP A 3 18.841 -33.483 2.512 1.00 97.73 C +HETATM 18 C HYP A 3 18.335 -32.800 1.260 1.00 97.88 C +HETATM 19 O HYP A 3 19.150 -32.385 0.419 1.00 96.83 O +HETATM 20 CB HYP A 3 19.333 -32.406 3.536 1.00 97.37 C +HETATM 21 CG HYP A 3 20.538 -32.979 4.182 1.00 97.12 C +HETATM 22 CD HYP A 3 21.176 -33.873 3.119 1.00 96.85 C +HETATM 23 OD1 HYP A 3 20.227 -33.760 5.301 1.00 96.84 O +ATOM 24 N GLY A 4 16.991 -32.660 1.137 1.00 98.54 N +ATOM 25 CA GLY A 4 16.413 -32.014 -0.019 1.00 98.36 C +ATOM 26 C GLY A 4 16.751 -30.529 -0.058 1.00 98.30 C +ATOM 27 O GLY A 4 17.164 -29.942 0.948 1.00 98.13 O +ATOM 28 N LYS A 5 16.574 -29.913 -1.245 1.00 98.25 N +ATOM 29 CA LYS A 5 16.844 -28.487 -1.406 1.00 97.92 C +ATOM 30 C LYS A 5 15.768 -27.659 -0.705 1.00 97.97 C +ATOM 31 O LYS A 5 14.641 -28.111 -0.518 1.00 97.41 O +ATOM 32 CB LYS A 5 16.891 -28.121 -2.886 1.00 96.64 C +ATOM 33 CG LYS A 5 18.035 -28.765 -3.646 1.00 91.44 C +ATOM 34 CD LYS A 5 18.017 -28.345 -5.104 1.00 88.20 C +ATOM 35 CE LYS A 5 19.148 -28.992 -5.878 1.00 81.29 C +ATOM 36 NZ LYS A 5 19.129 -28.600 -7.318 1.00 77.12 N +ATOM 37 N ASP A 6 16.118 -26.418 -0.347 1.00 98.03 N +ATOM 38 CA ASP A 6 15.155 -25.509 0.270 1.00 97.99 C +ATOM 39 C ASP A 6 14.033 -25.205 -0.717 1.00 97.90 C +ATOM 40 O ASP A 6 14.234 -25.189 -1.934 1.00 97.30 O +ATOM 41 CB ASP A 6 15.823 -24.198 0.684 1.00 96.86 C +ATOM 42 CG ASP A 6 16.786 -24.355 1.841 1.00 93.52 C +ATOM 43 OD1 ASP A 6 16.751 -25.391 2.543 1.00 91.23 O +ATOM 44 OD2 ASP A 6 17.584 -23.422 2.066 1.00 89.69 O +ATOM 45 N GLY A 7 12.857 -24.968 -0.191 1.00 98.29 N +ATOM 46 CA GLY A 7 11.734 -24.615 -1.041 1.00 98.07 C +ATOM 47 C GLY A 7 11.893 -23.232 -1.637 1.00 98.11 C +ATOM 48 O GLY A 7 12.723 -22.439 -1.201 1.00 98.02 O +ATOM 49 N ARG A 8 11.078 -22.927 -2.650 1.00 98.26 N +ATOM 50 CA ARG A 8 11.113 -21.617 -3.303 1.00 98.28 C +ATOM 51 C ARG A 8 10.583 -20.535 -2.372 1.00 98.30 C +ATOM 52 O ARG A 8 9.765 -20.806 -1.491 1.00 97.96 O +ATOM 53 CB ARG A 8 10.268 -21.640 -4.571 1.00 97.21 C +ATOM 54 CG ARG A 8 10.824 -22.525 -5.665 1.00 91.45 C +ATOM 55 CD ARG A 8 9.836 -22.584 -6.828 1.00 88.33 C +ATOM 56 NE ARG A 8 8.638 -23.320 -6.453 1.00 81.60 N +ATOM 57 CZ ARG A 8 7.485 -23.273 -7.119 1.00 77.31 C +ATOM 58 NH1 ARG A 8 7.352 -22.505 -8.178 1.00 73.84 N +ATOM 59 NH2 ARG A 8 6.448 -23.986 -6.701 1.00 72.82 N +ATOM 60 N ASP A 9 11.026 -19.301 -2.610 1.00 98.39 N +ATOM 61 CA ASP A 9 10.510 -18.170 -1.845 1.00 98.56 C +ATOM 62 C ASP A 9 9.029 -17.994 -2.145 1.00 98.60 C +ATOM 63 O ASP A 9 8.556 -18.317 -3.235 1.00 98.03 O +ATOM 64 CB ASP A 9 11.247 -16.878 -2.197 1.00 97.97 C +ATOM 65 CG ASP A 9 12.690 -16.852 -1.713 1.00 95.11 C +ATOM 66 OD1 ASP A 9 13.055 -17.677 -0.852 1.00 92.03 O +ATOM 67 OD2 ASP A 9 13.447 -15.992 -2.198 1.00 91.09 O +ATOM 68 N GLY A 10 8.289 -17.465 -1.183 1.00 98.53 N +ATOM 69 CA GLY A 10 6.873 -17.211 -1.380 1.00 98.47 C +ATOM 70 C GLY A 10 6.634 -16.124 -2.413 1.00 98.54 C +ATOM 71 O GLY A 10 7.540 -15.370 -2.767 1.00 98.45 O +ATOM 72 N THR A 11 5.400 -16.035 -2.889 1.00 98.50 N +ATOM 73 CA THR A 11 5.045 -15.019 -3.875 1.00 98.46 C +ATOM 74 C THR A 11 5.028 -13.640 -3.228 1.00 98.56 C +ATOM 75 O THR A 11 4.792 -13.492 -2.027 1.00 98.16 O +ATOM 76 CB THR A 11 3.668 -15.292 -4.492 1.00 97.86 C +ATOM 77 OG1 THR A 11 2.680 -15.359 -3.460 1.00 95.47 O +ATOM 78 CG2 THR A 11 3.682 -16.613 -5.253 1.00 94.35 C +ATOM 79 N LYS A 12 5.281 -12.604 -4.038 1.00 98.57 N +ATOM 80 CA LYS A 12 5.273 -11.236 -3.540 1.00 98.56 C +ATOM 81 C LYS A 12 3.855 -10.857 -3.126 1.00 98.59 C +ATOM 82 O LYS A 12 2.887 -11.216 -3.788 1.00 98.01 O +ATOM 83 CB LYS A 12 5.787 -10.277 -4.612 1.00 98.05 C +ATOM 84 CG LYS A 12 5.889 -8.836 -4.151 1.00 95.32 C +ATOM 85 CD LYS A 12 6.484 -7.948 -5.217 1.00 91.71 C +ATOM 86 CE LYS A 12 6.588 -6.511 -4.747 1.00 85.50 C +ATOM 87 NZ LYS A 12 7.205 -5.630 -5.773 1.00 79.71 N +ATOM 88 N GLY A 13 3.747 -10.124 -2.035 1.00 98.56 N +ATOM 89 CA GLY A 13 2.448 -9.694 -1.557 1.00 98.40 C +ATOM 90 C GLY A 13 1.760 -8.748 -2.525 1.00 98.59 C +ATOM 91 O GLY A 13 2.399 -8.151 -3.392 1.00 98.40 O +ATOM 92 N GLU A 14 0.444 -8.605 -2.364 1.00 98.21 N +ATOM 93 CA GLU A 14 -0.326 -7.715 -3.222 1.00 98.13 C +ATOM 94 C GLU A 14 0.011 -6.254 -2.947 1.00 98.38 C +ATOM 95 O GLU A 14 0.484 -5.896 -1.870 1.00 97.69 O +ATOM 96 CB GLU A 14 -1.826 -7.923 -3.012 1.00 97.18 C +ATOM 97 CG GLU A 14 -2.321 -9.289 -3.461 1.00 92.10 C +ATOM 98 CD GLU A 14 -3.818 -9.441 -3.292 1.00 86.45 C +ATOM 99 OE1 GLU A 14 -4.429 -8.644 -2.559 1.00 81.74 O +ATOM 100 OE2 GLU A 14 -4.383 -10.371 -3.894 1.00 80.30 O +ATOM 101 N LYS A 15 -0.244 -5.406 -3.942 1.00 98.20 N +ATOM 102 CA LYS A 15 -0.021 -3.975 -3.786 1.00 98.27 C +ATOM 103 C LYS A 15 -0.944 -3.440 -2.695 1.00 98.36 C +ATOM 104 O LYS A 15 -2.097 -3.851 -2.593 1.00 97.92 O +ATOM 105 CB LYS A 15 -0.290 -3.249 -5.106 1.00 97.28 C +ATOM 106 CG LYS A 15 -0.037 -1.751 -5.051 1.00 94.33 C +ATOM 107 CD LYS A 15 -0.266 -1.107 -6.393 1.00 90.59 C +ATOM 108 CE LYS A 15 -0.021 0.388 -6.336 1.00 84.08 C +ATOM 109 NZ LYS A 15 -0.234 1.039 -7.655 1.00 78.82 N +ATOM 110 N GLY A 16 -0.430 -2.521 -1.895 1.00 98.49 N +ATOM 111 CA GLY A 16 -1.217 -1.936 -0.825 1.00 98.44 C +ATOM 112 C GLY A 16 -2.386 -1.123 -1.345 1.00 98.56 C +ATOM 113 O GLY A 16 -2.418 -0.721 -2.510 1.00 98.41 O +ATOM 114 N GLU A 17 -3.362 -0.887 -0.463 1.00 98.20 N +ATOM 115 CA GLU A 17 -4.540 -0.110 -0.810 1.00 98.23 C +ATOM 116 C GLU A 17 -4.178 1.346 -1.047 1.00 98.49 C +ATOM 117 O GLU A 17 -3.167 1.836 -0.562 1.00 98.13 O +ATOM 118 CB GLU A 17 -5.583 -0.199 0.295 1.00 97.41 C +ATOM 119 CG GLU A 17 -6.162 -1.593 0.470 1.00 91.20 C +ATOM 120 CD GLU A 17 -7.235 -1.643 1.544 1.00 87.55 C +ATOM 121 OE1 GLU A 17 -7.331 -0.688 2.338 1.00 83.76 O +ATOM 122 OE2 GLU A 17 -7.965 -2.638 1.585 1.00 82.63 O +HETATM 123 N HYP A 18 -5.043 2.061 -1.769 1.00 97.94 N +HETATM 124 CA HYP A 18 -4.873 3.474 -1.985 1.00 97.89 C +HETATM 125 C HYP A 18 -4.866 4.237 -0.679 1.00 98.10 C +HETATM 126 O HYP A 18 -5.526 3.815 0.286 1.00 97.49 O +HETATM 127 CB HYP A 18 -6.095 3.868 -2.824 1.00 97.03 C +HETATM 128 CG HYP A 18 -6.514 2.591 -3.471 1.00 96.72 C +HETATM 129 CD HYP A 18 -6.177 1.546 -2.485 1.00 97.22 C +HETATM 130 OD1 HYP A 18 -5.815 2.372 -4.672 1.00 96.01 O +ATOM 131 N GLY A 19 -4.129 5.306 -0.614 1.00 98.52 N +ATOM 132 CA GLY A 19 -4.077 6.110 0.579 1.00 98.46 C +ATOM 133 C GLY A 19 -5.412 6.792 0.839 1.00 98.53 C +ATOM 134 O GLY A 19 -6.308 6.776 -0.011 1.00 98.44 O +ATOM 135 N PRO A 20 -5.566 7.411 2.025 1.00 98.24 N +ATOM 136 CA PRO A 20 -6.814 8.083 2.376 1.00 98.16 C +ATOM 137 C PRO A 20 -7.024 9.343 1.547 1.00 98.34 C +ATOM 138 O PRO A 20 -6.077 9.913 1.016 1.00 98.07 O +ATOM 139 CB PRO A 20 -6.627 8.412 3.857 1.00 97.38 C +ATOM 140 CG PRO A 20 -5.159 8.568 3.996 1.00 95.67 C +ATOM 141 CD PRO A 20 -4.574 7.509 3.087 1.00 97.44 C +HETATM 142 N HYP A 21 -8.245 9.801 1.444 1.00 97.69 N +HETATM 143 CA HYP A 21 -8.586 11.032 0.797 1.00 97.35 C +HETATM 144 C HYP A 21 -7.880 12.237 1.416 1.00 97.67 C +HETATM 145 O HYP A 21 -7.628 12.234 2.631 1.00 97.00 O +HETATM 146 CB HYP A 21 -10.112 11.135 0.997 1.00 96.01 C +HETATM 147 CG HYP A 21 -10.577 9.721 1.156 1.00 95.79 C +HETATM 148 CD HYP A 21 -9.442 9.082 1.892 1.00 96.85 C +HETATM 149 OD1 HYP A 21 -10.750 9.089 -0.085 1.00 94.90 O +ATOM 150 N GLY A 22 -7.581 13.214 0.623 1.00 98.12 N +ATOM 151 CA GLY A 22 -6.939 14.403 1.109 1.00 98.15 C +ATOM 152 C GLY A 22 -7.867 15.184 2.025 1.00 98.34 C +ATOM 153 O GLY A 22 -9.054 14.880 2.141 1.00 98.24 O +ATOM 154 N PRO A 23 -7.339 16.225 2.694 1.00 98.01 N +ATOM 155 CA PRO A 23 -8.142 17.029 3.603 1.00 97.97 C +ATOM 156 C PRO A 23 -9.164 17.865 2.858 1.00 98.10 C +ATOM 157 O PRO A 23 -9.004 18.154 1.675 1.00 97.64 O +ATOM 158 CB PRO A 23 -7.104 17.909 4.301 1.00 96.99 C +ATOM 159 CG PRO A 23 -6.026 18.038 3.285 1.00 95.03 C +ATOM 160 CD PRO A 23 -5.957 16.684 2.629 1.00 97.20 C +HETATM 161 N HYP A 24 -10.192 18.300 3.533 1.00 97.67 N +HETATM 162 CA HYP A 24 -11.204 19.170 2.968 1.00 96.86 C +HETATM 163 C HYP A 24 -10.605 20.513 2.519 1.00 97.56 C +HETATM 164 O HYP A 24 -9.675 21.010 3.135 1.00 96.37 O +HETATM 165 CB HYP A 24 -12.157 19.430 4.167 1.00 95.51 C +HETATM 166 CG HYP A 24 -11.979 18.264 5.083 1.00 94.79 C +HETATM 167 CD HYP A 24 -10.521 17.895 4.911 1.00 96.35 C +HETATM 168 OD1 HYP A 24 -12.774 17.176 4.692 1.00 93.66 O +ATOM 169 N GLY A 25 -11.161 21.038 1.464 1.00 97.40 N +ATOM 170 CA GLY A 25 -10.723 22.319 0.981 1.00 97.45 C +ATOM 171 C GLY A 25 -11.140 23.421 1.940 1.00 97.71 C +ATOM 172 O GLY A 25 -11.897 23.187 2.884 1.00 97.63 O +ATOM 173 N PRO A 26 -10.673 24.659 1.706 1.00 97.20 N +ATOM 174 CA PRO A 26 -11.025 25.779 2.577 1.00 97.07 C +ATOM 175 C PRO A 26 -12.491 26.156 2.429 1.00 97.24 C +ATOM 176 O PRO A 26 -13.111 25.874 1.403 1.00 96.44 O +ATOM 177 CB PRO A 26 -10.105 26.900 2.108 1.00 95.71 C +ATOM 178 CG PRO A 26 -9.869 26.573 0.674 1.00 93.75 C +ATOM 179 CD PRO A 26 -9.785 25.066 0.628 1.00 96.35 C +HETATM 180 N HYP A 27 -13.051 26.817 3.435 1.00 96.77 N +HETATM 181 CA HYP A 27 -14.419 27.282 3.367 1.00 94.89 C +HETATM 182 C HYP A 27 -14.636 28.276 2.253 1.00 96.65 C +HETATM 183 O HYP A 27 -13.748 29.065 1.939 1.00 95.10 O +HETATM 184 CB HYP A 27 -14.600 28.019 4.745 1.00 94.41 C +HETATM 185 CG HYP A 27 -13.581 27.417 5.666 1.00 92.68 C +HETATM 186 CD HYP A 27 -12.426 27.097 4.737 1.00 95.26 C +HETATM 187 OD1 HYP A 27 -14.057 26.210 6.228 1.00 91.50 O +ATOM 188 N GLY A 28 -15.810 28.240 1.653 1.00 95.61 N +ATOM 189 CA GLY A 28 -16.140 29.176 0.614 1.00 95.45 C +ATOM 190 C GLY A 28 -16.316 30.572 1.186 1.00 95.93 C +ATOM 191 O GLY A 28 -16.358 30.750 2.409 1.00 96.10 O +ATOM 192 N PRO A 29 -16.438 31.588 0.337 1.00 96.01 N +ATOM 193 CA PRO A 29 -16.621 32.955 0.813 1.00 95.78 C +ATOM 194 C PRO A 29 -17.981 33.114 1.478 1.00 95.60 C +ATOM 195 O PRO A 29 -18.905 32.360 1.194 1.00 93.80 O +ATOM 196 CB PRO A 29 -16.506 33.795 -0.452 1.00 93.62 C +ATOM 197 CG PRO A 29 -16.934 32.863 -1.531 1.00 91.91 C +ATOM 198 CD PRO A 29 -16.403 31.514 -1.118 1.00 95.14 C +HETATM 199 N HYP A 30 -18.134 34.129 2.343 1.00 95.47 N +HETATM 200 CA HYP A 30 -19.380 34.373 3.019 1.00 93.07 C +HETATM 201 C HYP A 30 -20.500 34.709 2.080 1.00 94.57 C +HETATM 202 O HYP A 30 -20.304 35.457 1.147 1.00 92.61 O +HETATM 203 CB HYP A 30 -19.050 35.666 3.911 1.00 92.15 C +HETATM 204 CG HYP A 30 -17.545 35.671 4.059 1.00 89.50 C +HETATM 205 CD HYP A 30 -17.048 35.050 2.754 1.00 93.08 C +HETATM 206 OD1 HYP A 30 -17.145 34.841 5.138 1.00 87.54 O +ATOM 207 N GLY A 31 -21.721 34.089 2.321 1.00 91.12 N +ATOM 208 CA GLY A 31 -22.867 34.337 1.478 1.00 88.55 C +ATOM 209 C GLY A 31 -23.437 35.723 1.713 1.00 85.74 C +ATOM 210 O GLY A 31 -23.336 36.279 2.813 1.00 81.62 O +ATOM 211 N TYR A 32 -24.026 36.281 0.660 1.00 90.89 N +ATOM 212 CA TYR A 32 -24.675 37.582 0.749 1.00 86.60 C +ATOM 213 C TYR A 32 -25.575 37.794 -0.473 1.00 78.74 C +ATOM 214 O TYR A 32 -25.529 36.988 -1.412 1.00 72.81 O +ATOM 215 CB TYR A 32 -23.651 38.718 0.875 1.00 80.61 C +ATOM 216 CG TYR A 32 -22.661 38.788 -0.279 1.00 76.70 C +ATOM 217 CD1 TYR A 32 -22.947 39.518 -1.424 1.00 76.53 C +ATOM 218 CD2 TYR A 32 -21.446 38.139 -0.191 1.00 71.79 C +ATOM 219 CE1 TYR A 32 -22.045 39.581 -2.469 1.00 70.72 C +ATOM 220 CE2 TYR A 32 -20.534 38.201 -1.234 1.00 73.21 C +ATOM 221 CZ TYR A 32 -20.830 38.918 -2.368 1.00 67.27 C +ATOM 222 OH TYR A 32 -19.938 38.986 -3.403 1.00 69.27 O +ATOM 223 OXT TYR A 32 -26.328 38.786 -0.503 1.00 66.43 O +TER 224 TYR A 32 +END diff --git a/protein_pdb_573.txt b/protein_pdb_573.txt new file mode 100644 index 0000000000000000000000000000000000000000..f632977e3f555d7eab1d6acb81d5d86ef87bf4e4 --- /dev/null +++ b/protein_pdb_573.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 6.624 0.348 -13.947 1.00 85.50 N +ATOM 2 CA GLY A 1 6.822 1.564 -13.173 1.00 86.43 C +ATOM 3 C GLY A 1 7.143 1.246 -11.739 1.00 87.22 C +ATOM 4 O GLY A 1 7.199 0.085 -11.348 1.00 84.39 O +ATOM 5 N PRO A 2 7.333 2.264 -10.911 1.00 86.12 N +ATOM 6 CA PRO A 2 7.662 2.048 -9.511 1.00 86.98 C +ATOM 7 C PRO A 2 6.483 1.488 -8.728 1.00 86.64 C +ATOM 8 O PRO A 2 5.343 1.557 -9.160 1.00 84.43 O +ATOM 9 CB PRO A 2 8.044 3.433 -9.012 1.00 83.30 C +ATOM 10 CG PRO A 2 7.318 4.354 -9.919 1.00 79.95 C +ATOM 11 CD PRO A 2 7.277 3.684 -11.254 1.00 80.71 C +HETATM 12 N HYP A 3 6.792 0.914 -7.611 1.00 85.86 N +HETATM 13 CA HYP A 3 5.735 0.444 -6.708 1.00 84.05 C +HETATM 14 C HYP A 3 4.819 1.557 -6.295 1.00 84.68 C +HETATM 15 O HYP A 3 5.253 2.726 -6.199 1.00 88.73 O +HETATM 16 CB HYP A 3 6.536 -0.095 -5.495 1.00 84.55 C +HETATM 17 CG HYP A 3 7.847 -0.541 -6.100 1.00 82.43 C +HETATM 18 CD HYP A 3 8.109 0.564 -7.142 1.00 86.13 C +HETATM 19 OD1 HYP A 3 7.662 -1.765 -6.743 1.00 85.54 O +ATOM 20 N GLY A 4 3.574 1.202 -6.114 1.00 90.82 N +ATOM 21 CA GLY A 4 2.609 2.166 -5.671 1.00 89.69 C +ATOM 22 C GLY A 4 2.888 2.634 -4.254 1.00 89.81 C +ATOM 23 O GLY A 4 3.733 2.082 -3.556 1.00 90.14 O +ATOM 24 N PRO A 5 2.175 3.662 -3.824 1.00 89.72 N +ATOM 25 CA PRO A 5 2.368 4.180 -2.476 1.00 88.98 C +ATOM 26 C PRO A 5 1.822 3.228 -1.431 1.00 88.83 C +ATOM 27 O PRO A 5 1.029 2.342 -1.730 1.00 87.68 O +ATOM 28 CB PRO A 5 1.597 5.497 -2.496 1.00 87.40 C +ATOM 29 CG PRO A 5 0.531 5.275 -3.500 1.00 85.77 C +ATOM 30 CD PRO A 5 1.147 4.397 -4.556 1.00 87.43 C +HETATM 31 N HYP A 6 2.270 3.415 -0.191 1.00 89.38 N +HETATM 32 CA HYP A 6 1.747 2.640 0.892 1.00 92.05 C +HETATM 33 C HYP A 6 0.279 2.843 1.098 1.00 90.28 C +HETATM 34 O HYP A 6 -0.252 3.952 0.825 1.00 90.88 O +HETATM 35 CB HYP A 6 2.538 3.214 2.112 1.00 87.97 C +HETATM 36 CG HYP A 6 3.817 3.710 1.501 1.00 87.51 C +HETATM 37 CD HYP A 6 3.334 4.306 0.194 1.00 89.32 C +HETATM 38 OD1 HYP A 6 4.670 2.612 1.249 1.00 87.63 O +ATOM 39 N GLY A 7 -0.393 1.799 1.478 1.00 90.61 N +ATOM 40 CA GLY A 7 -1.795 1.888 1.761 1.00 89.26 C +ATOM 41 C GLY A 7 -2.063 2.738 2.986 1.00 89.43 C +ATOM 42 O GLY A 7 -1.148 3.155 3.693 1.00 89.52 O +ATOM 43 N PRO A 8 -3.330 3.010 3.241 1.00 89.31 N +ATOM 44 CA PRO A 8 -3.686 3.809 4.403 1.00 89.05 C +ATOM 45 C PRO A 8 -3.514 3.013 5.693 1.00 89.21 C +ATOM 46 O PRO A 8 -3.424 1.791 5.681 1.00 87.45 O +ATOM 47 CB PRO A 8 -5.147 4.149 4.156 1.00 86.84 C +ATOM 48 CG PRO A 8 -5.647 2.997 3.362 1.00 85.86 C +ATOM 49 CD PRO A 8 -4.498 2.591 2.482 1.00 87.26 C +HETATM 50 N HYP A 9 -3.460 3.724 6.818 1.00 89.55 N +HETATM 51 CA HYP A 9 -3.421 3.085 8.083 1.00 90.47 C +HETATM 52 C HYP A 9 -4.633 2.264 8.353 1.00 89.97 C +HETATM 53 O HYP A 9 -5.725 2.568 7.849 1.00 88.23 O +HETATM 54 CB HYP A 9 -3.334 4.258 9.090 1.00 85.83 C +HETATM 55 CG HYP A 9 -2.741 5.364 8.310 1.00 85.03 C +HETATM 56 CD HYP A 9 -3.286 5.189 6.931 1.00 88.66 C +HETATM 57 OD1 HYP A 9 -1.334 5.187 8.269 1.00 83.25 O +ATOM 58 N GLY A 10 -4.519 1.207 9.093 1.00 89.71 N +ATOM 59 CA GLY A 10 -5.673 0.487 9.587 1.00 86.77 C +ATOM 60 C GLY A 10 -6.406 1.345 10.605 1.00 86.61 C +ATOM 61 O GLY A 10 -6.234 2.559 10.659 1.00 85.64 O +ATOM 62 N PHE A 11 -7.229 0.714 11.424 1.00 89.25 N +ATOM 63 CA PHE A 11 -7.970 1.491 12.414 1.00 91.04 C +ATOM 64 C PHE A 11 -7.033 2.327 13.280 1.00 91.33 C +ATOM 65 O PHE A 11 -7.282 3.515 13.494 1.00 90.01 O +ATOM 66 CB PHE A 11 -8.830 0.563 13.268 1.00 89.98 C +ATOM 67 CG PHE A 11 -9.934 -0.095 12.493 1.00 86.00 C +ATOM 68 CD1 PHE A 11 -11.049 0.626 12.123 1.00 82.77 C +ATOM 69 CD2 PHE A 11 -9.843 -1.423 12.117 1.00 82.73 C +ATOM 70 CE1 PHE A 11 -12.065 0.036 11.390 1.00 80.34 C +ATOM 71 CE2 PHE A 11 -10.852 -2.020 11.380 1.00 82.14 C +ATOM 72 CZ PHE A 11 -11.969 -1.295 11.020 1.00 81.68 C +ATOM 73 N ASN A 12 -5.954 1.719 13.746 1.00 90.76 N +ATOM 74 CA ASN A 12 -4.912 2.422 14.487 1.00 92.29 C +ATOM 75 C ASN A 12 -3.540 1.885 14.106 1.00 92.64 C +ATOM 76 O ASN A 12 -2.596 1.993 14.884 1.00 89.22 O +ATOM 77 CB ASN A 12 -5.119 2.257 15.996 1.00 89.88 C +ATOM 78 CG ASN A 12 -6.407 2.892 16.467 1.00 83.89 C +ATOM 79 OD1 ASN A 12 -7.403 2.211 16.677 1.00 81.96 O +ATOM 80 ND2 ASN A 12 -6.390 4.197 16.633 1.00 77.33 N +ATOM 81 N GLY A 13 -3.424 1.311 12.934 1.00 94.11 N +ATOM 82 CA GLY A 13 -2.247 0.550 12.580 1.00 93.42 C +ATOM 83 C GLY A 13 -1.357 1.222 11.568 1.00 93.63 C +ATOM 84 O GLY A 13 -1.601 2.354 11.143 1.00 93.58 O +ATOM 85 N PRO A 14 -0.308 0.523 11.182 1.00 92.74 N +ATOM 86 CA PRO A 14 0.638 1.052 10.207 1.00 92.08 C +ATOM 87 C PRO A 14 0.019 1.111 8.822 1.00 92.30 C +ATOM 88 O PRO A 14 -1.010 0.506 8.551 1.00 90.59 O +ATOM 89 CB PRO A 14 1.785 0.049 10.256 1.00 90.26 C +ATOM 90 CG PRO A 14 1.140 -1.224 10.641 1.00 89.40 C +ATOM 91 CD PRO A 14 0.043 -0.840 11.593 1.00 90.70 C +HETATM 92 N HYP A 15 0.690 1.839 7.978 1.00 92.28 N +HETATM 93 CA HYP A 15 0.297 1.871 6.584 1.00 92.67 C +HETATM 94 C HYP A 15 0.357 0.533 5.936 1.00 93.68 C +HETATM 95 O HYP A 15 1.165 -0.326 6.369 1.00 93.05 O +HETATM 96 CB HYP A 15 1.352 2.840 6.004 1.00 87.22 C +HETATM 97 CG HYP A 15 1.744 3.720 7.177 1.00 87.27 C +HETATM 98 CD HYP A 15 1.744 2.748 8.328 1.00 91.18 C +HETATM 99 OD1 HYP A 15 0.772 4.709 7.383 1.00 87.92 O +ATOM 100 N GLY A 16 -0.495 0.313 4.983 1.00 94.21 N +ATOM 101 CA GLY A 16 -0.460 -0.913 4.241 1.00 93.47 C +ATOM 102 C GLY A 16 0.792 -1.023 3.400 1.00 93.60 C +ATOM 103 O GLY A 16 1.582 -0.085 3.301 1.00 93.19 O +ATOM 104 N PRO A 17 0.977 -2.194 2.786 1.00 91.31 N +ATOM 105 CA PRO A 17 2.153 -2.403 1.959 1.00 90.58 C +ATOM 106 C PRO A 17 2.085 -1.579 0.679 1.00 90.91 C +ATOM 107 O PRO A 17 1.023 -1.127 0.266 1.00 89.11 O +ATOM 108 CB PRO A 17 2.112 -3.900 1.667 1.00 88.92 C +ATOM 109 CG PRO A 17 0.677 -4.247 1.757 1.00 87.92 C +ATOM 110 CD PRO A 17 0.106 -3.366 2.830 1.00 89.59 C +HETATM 111 N HYP A 18 3.241 -1.403 0.054 1.00 86.87 N +HETATM 112 CA HYP A 18 3.298 -0.742 -1.208 1.00 90.45 C +HETATM 113 C HYP A 18 2.503 -1.448 -2.273 1.00 87.98 C +HETATM 114 O HYP A 18 2.362 -2.696 -2.225 1.00 88.24 O +HETATM 115 CB HYP A 18 4.802 -0.815 -1.562 1.00 84.90 C +HETATM 116 CG HYP A 18 5.484 -0.871 -0.222 1.00 84.81 C +HETATM 117 CD HYP A 18 4.539 -1.758 0.574 1.00 88.68 C +HETATM 118 OD1 HYP A 18 5.516 0.427 0.366 1.00 86.44 O +ATOM 119 N GLY A 19 1.947 -0.708 -3.170 1.00 89.62 N +ATOM 120 CA GLY A 19 1.244 -1.274 -4.283 1.00 89.15 C +ATOM 121 C GLY A 19 2.190 -1.968 -5.245 1.00 89.72 C +ATOM 122 O GLY A 19 3.410 -1.865 -5.128 1.00 89.98 O +ATOM 123 N PRO A 20 1.621 -2.688 -6.204 1.00 80.00 N +ATOM 124 CA PRO A 20 2.441 -3.384 -7.181 1.00 80.49 C +ATOM 125 C PRO A 20 3.091 -2.411 -8.149 1.00 80.12 C +ATOM 126 O PRO A 20 2.696 -1.255 -8.253 1.00 81.41 O +ATOM 127 CB PRO A 20 1.438 -4.295 -7.887 1.00 78.58 C +ATOM 128 CG PRO A 20 0.153 -3.564 -7.768 1.00 76.42 C +ATOM 129 CD PRO A 20 0.198 -2.868 -6.435 1.00 76.93 C +HETATM 130 N HYP A 21 4.123 -2.903 -8.849 1.00 85.15 N +HETATM 131 CA HYP A 21 4.740 -2.111 -9.866 1.00 84.98 C +HETATM 132 C HYP A 21 3.780 -1.631 -10.937 1.00 85.89 C +HETATM 133 O HYP A 21 2.826 -2.355 -11.244 1.00 88.49 O +HETATM 134 CB HYP A 21 5.803 -3.042 -10.468 1.00 82.26 C +HETATM 135 CG HYP A 21 6.139 -3.978 -9.336 1.00 77.47 C +HETATM 136 CD HYP A 21 4.808 -4.190 -8.647 1.00 86.01 C +HETATM 137 OD1 HYP A 21 7.011 -3.319 -8.415 1.00 82.31 O +ATOM 138 N GLY A 22 3.946 -0.428 -11.402 1.00 84.72 N +ATOM 139 CA GLY A 22 3.126 0.093 -12.454 1.00 80.85 C +ATOM 140 C GLY A 22 3.424 -0.586 -13.779 1.00 80.20 C +ATOM 141 O GLY A 22 4.293 -1.450 -13.869 1.00 81.37 O +ATOM 142 N PRO A 23 2.711 -0.190 -14.831 1.00 86.84 N +ATOM 143 CA PRO A 23 2.931 -0.796 -16.136 1.00 86.55 C +ATOM 144 C PRO A 23 4.312 -0.445 -16.671 1.00 85.74 C +ATOM 145 O PRO A 23 4.934 0.518 -16.243 1.00 81.79 O +ATOM 146 CB PRO A 23 1.826 -0.208 -16.998 1.00 82.41 C +ATOM 147 CG PRO A 23 1.502 1.074 -16.337 1.00 79.88 C +ATOM 148 CD PRO A 23 1.699 0.842 -14.866 1.00 82.19 C +HETATM 149 N HYP A 24 4.806 -1.154 -17.573 1.00 90.75 N +HETATM 150 CA HYP A 24 6.154 -0.920 -18.084 1.00 85.34 C +HETATM 151 C HYP A 24 6.613 0.484 -17.982 1.00 85.68 C +HETATM 152 O HYP A 24 6.973 1.144 -18.960 1.00 83.41 O +HETATM 153 CB HYP A 24 6.208 -1.525 -19.432 1.00 84.51 C +HETATM 154 CG HYP A 24 4.939 -2.319 -19.607 1.00 83.09 C +HETATM 155 CD HYP A 24 4.008 -1.925 -18.474 1.00 88.65 C +HETATM 156 OD1 HYP A 24 5.199 -3.702 -19.432 1.00 82.40 O +HETATM 157 OXT HYP A 24 6.687 0.946 -16.848 1.00 80.65 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_574.txt b/protein_pdb_574.txt new file mode 100644 index 0000000000000000000000000000000000000000..96210609542e2189af7935d6a648fb605a032f41 --- /dev/null +++ b/protein_pdb_574.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 13.343 3.597 -8.841 1.00 94.10 N +ATOM 2 CA GLY A 1 12.173 4.366 -8.596 1.00 94.72 C +ATOM 3 C GLY A 1 11.773 4.429 -7.141 1.00 95.30 C +ATOM 4 O GLY A 1 12.265 3.667 -6.313 1.00 94.11 O +ATOM 5 N PRO A 2 10.898 5.296 -6.843 1.00 94.61 N +ATOM 6 CA PRO A 2 10.411 5.434 -5.486 1.00 94.78 C +ATOM 7 C PRO A 2 9.487 4.293 -5.116 1.00 94.94 C +ATOM 8 O PRO A 2 9.053 3.525 -5.973 1.00 93.92 O +ATOM 9 CB PRO A 2 9.663 6.765 -5.529 1.00 92.43 C +ATOM 10 CG PRO A 2 9.180 6.838 -6.935 1.00 89.71 C +ATOM 11 CD PRO A 2 10.273 6.235 -7.763 1.00 92.44 C +HETATM 12 N HYP A 3 9.213 4.206 -3.827 1.00 95.15 N +HETATM 13 CA HYP A 3 8.258 3.194 -3.406 1.00 93.17 C +HETATM 14 C HYP A 3 6.921 3.392 -4.040 1.00 94.77 C +HETATM 15 O HYP A 3 6.543 4.532 -4.356 1.00 95.15 O +HETATM 16 CB HYP A 3 8.167 3.483 -1.869 1.00 91.66 C +HETATM 17 CG HYP A 3 9.518 4.061 -1.531 1.00 90.28 C +HETATM 18 CD HYP A 3 9.823 4.926 -2.770 1.00 93.12 C +HETATM 19 OD1 HYP A 3 10.438 3.016 -1.445 1.00 92.01 O +ATOM 20 N GLY A 4 6.265 2.283 -4.299 1.00 95.11 N +ATOM 21 CA GLY A 4 4.954 2.344 -4.866 1.00 94.56 C +ATOM 22 C GLY A 4 3.972 2.987 -3.909 1.00 94.82 C +ATOM 23 O GLY A 4 4.273 3.189 -2.733 1.00 95.00 O +ATOM 24 N PRO A 5 2.789 3.311 -4.398 1.00 94.91 N +ATOM 25 CA PRO A 5 1.786 3.938 -3.545 1.00 94.76 C +ATOM 26 C PRO A 5 1.250 2.969 -2.512 1.00 94.73 C +ATOM 27 O PRO A 5 1.366 1.755 -2.654 1.00 93.87 O +ATOM 28 CB PRO A 5 0.701 4.353 -4.529 1.00 93.33 C +ATOM 29 CG PRO A 5 0.838 3.382 -5.644 1.00 91.62 C +ATOM 30 CD PRO A 5 2.306 3.104 -5.751 1.00 94.05 C +HETATM 31 N HYP A 6 0.673 3.535 -1.467 1.00 94.29 N +HETATM 32 CA HYP A 6 0.048 2.706 -0.459 1.00 94.57 C +HETATM 33 C HYP A 6 -1.064 1.885 -1.042 1.00 94.78 C +HETATM 34 O HYP A 6 -1.732 2.320 -1.999 1.00 94.35 O +HETATM 35 CB HYP A 6 -0.533 3.786 0.506 1.00 91.71 C +HETATM 36 CG HYP A 6 0.375 4.964 0.314 1.00 91.11 C +HETATM 37 CD HYP A 6 0.627 4.938 -1.183 1.00 93.12 C +HETATM 38 OD1 HYP A 6 1.582 4.731 0.998 1.00 90.93 O +ATOM 39 N GLY A 7 -1.192 0.694 -0.538 1.00 94.03 N +ATOM 40 CA GLY A 7 -2.261 -0.162 -0.967 1.00 93.57 C +ATOM 41 C GLY A 7 -3.606 0.426 -0.595 1.00 94.12 C +ATOM 42 O GLY A 7 -3.697 1.384 0.170 1.00 94.07 O +ATOM 43 N PRO A 8 -4.667 -0.147 -1.130 1.00 95.43 N +ATOM 44 CA PRO A 8 -5.989 0.360 -0.814 1.00 95.28 C +ATOM 45 C PRO A 8 -6.370 0.051 0.622 1.00 95.32 C +ATOM 46 O PRO A 8 -5.847 -0.872 1.237 1.00 94.38 O +ATOM 47 CB PRO A 8 -6.895 -0.386 -1.797 1.00 93.67 C +ATOM 48 CG PRO A 8 -6.161 -1.649 -2.063 1.00 92.36 C +ATOM 49 CD PRO A 8 -4.702 -1.284 -2.033 1.00 94.45 C +HETATM 50 N HYP A 9 -7.300 0.817 1.140 1.00 94.38 N +HETATM 51 CA HYP A 9 -7.794 0.589 2.459 1.00 94.49 C +HETATM 52 C HYP A 9 -8.497 -0.735 2.530 1.00 95.09 C +HETATM 53 O HYP A 9 -9.140 -1.154 1.573 1.00 94.37 O +HETATM 54 CB HYP A 9 -8.807 1.740 2.663 1.00 90.95 C +HETATM 55 CG HYP A 9 -8.362 2.795 1.721 1.00 90.34 C +HETATM 56 CD HYP A 9 -7.854 2.042 0.558 1.00 93.45 C +HETATM 57 OD1 HYP A 9 -7.292 3.516 2.289 1.00 90.08 O +ATOM 58 N GLY A 10 -8.383 -1.441 3.619 1.00 93.71 N +ATOM 59 CA GLY A 10 -9.238 -2.571 3.875 1.00 92.61 C +ATOM 60 C GLY A 10 -10.649 -2.072 4.125 1.00 93.39 C +ATOM 61 O GLY A 10 -10.902 -0.875 4.222 1.00 92.32 O +ATOM 62 N LEU A 11 -11.583 -3.013 4.237 1.00 93.58 N +ATOM 63 CA LEU A 11 -12.959 -2.609 4.485 1.00 94.09 C +ATOM 64 C LEU A 11 -13.052 -1.746 5.740 1.00 94.10 C +ATOM 65 O LEU A 11 -13.737 -0.725 5.753 1.00 92.49 O +ATOM 66 CB LEU A 11 -13.837 -3.856 4.620 1.00 92.68 C +ATOM 67 CG LEU A 11 -15.322 -3.606 4.820 1.00 88.76 C +ATOM 68 CD1 LEU A 11 -15.916 -2.789 3.691 1.00 87.27 C +ATOM 69 CD2 LEU A 11 -16.059 -4.936 4.954 1.00 84.05 C +ATOM 70 N TRP A 12 -12.328 -2.162 6.771 1.00 94.13 N +ATOM 71 CA TRP A 12 -12.265 -1.421 8.019 1.00 93.82 C +ATOM 72 C TRP A 12 -10.843 -1.131 8.460 1.00 93.26 C +ATOM 73 O TRP A 12 -10.647 -0.520 9.495 1.00 90.97 O +ATOM 74 CB TRP A 12 -12.979 -2.196 9.129 1.00 92.94 C +ATOM 75 CG TRP A 12 -14.361 -2.623 8.774 1.00 89.32 C +ATOM 76 CD1 TRP A 12 -14.791 -3.889 8.519 1.00 89.40 C +ATOM 77 CD2 TRP A 12 -15.513 -1.778 8.636 1.00 88.62 C +ATOM 78 NE1 TRP A 12 -16.129 -3.898 8.226 1.00 83.56 N +ATOM 79 CE2 TRP A 12 -16.603 -2.605 8.289 1.00 87.41 C +ATOM 80 CE3 TRP A 12 -15.724 -0.406 8.769 1.00 85.48 C +ATOM 81 CZ2 TRP A 12 -17.878 -2.098 8.076 1.00 88.67 C +ATOM 82 CZ3 TRP A 12 -16.986 0.087 8.557 1.00 82.57 C +ATOM 83 CH2 TRP A 12 -18.046 -0.742 8.215 1.00 81.23 C +ATOM 84 N GLY A 13 -9.882 -1.608 7.703 1.00 94.91 N +ATOM 85 CA GLY A 13 -8.499 -1.548 8.114 1.00 94.44 C +ATOM 86 C GLY A 13 -7.719 -0.418 7.487 1.00 94.93 C +ATOM 87 O GLY A 13 -8.231 0.328 6.661 1.00 94.73 O +ATOM 88 N PRO A 14 -6.462 -0.304 7.886 1.00 95.72 N +ATOM 89 CA PRO A 14 -5.596 0.738 7.359 1.00 95.55 C +ATOM 90 C PRO A 14 -5.213 0.445 5.922 1.00 95.71 C +ATOM 91 O PRO A 14 -5.414 -0.650 5.411 1.00 94.99 O +ATOM 92 CB PRO A 14 -4.373 0.673 8.272 1.00 94.17 C +ATOM 93 CG PRO A 14 -4.319 -0.748 8.690 1.00 92.79 C +ATOM 94 CD PRO A 14 -5.759 -1.173 8.828 1.00 94.28 C +HETATM 95 N HYP A 15 -4.655 1.444 5.316 1.00 94.45 N +HETATM 96 CA HYP A 15 -4.129 1.265 3.979 1.00 94.65 C +HETATM 97 C HYP A 15 -3.068 0.220 3.926 1.00 95.55 C +HETATM 98 O HYP A 15 -2.368 0.000 4.956 1.00 94.61 O +HETATM 99 CB HYP A 15 -3.578 2.689 3.704 1.00 92.17 C +HETATM 100 CG HYP A 15 -4.377 3.593 4.622 1.00 91.01 C +HETATM 101 CD HYP A 15 -4.567 2.764 5.852 1.00 93.25 C +HETATM 102 OD1 HYP A 15 -5.638 3.881 4.057 1.00 90.72 O +ATOM 103 N GLY A 16 -2.951 -0.443 2.824 1.00 95.22 N +ATOM 104 CA GLY A 16 -1.900 -1.403 2.659 1.00 94.89 C +ATOM 105 C GLY A 16 -0.544 -0.732 2.676 1.00 95.22 C +ATOM 106 O GLY A 16 -0.438 0.490 2.594 1.00 95.14 O +ATOM 107 N PRO A 17 0.511 -1.544 2.786 1.00 94.64 N +ATOM 108 CA PRO A 17 1.852 -0.986 2.816 1.00 94.55 C +ATOM 109 C PRO A 17 2.247 -0.433 1.465 1.00 94.92 C +ATOM 110 O PRO A 17 1.678 -0.790 0.437 1.00 94.12 O +ATOM 111 CB PRO A 17 2.719 -2.178 3.206 1.00 93.11 C +ATOM 112 CG PRO A 17 1.957 -3.345 2.708 1.00 91.40 C +ATOM 113 CD PRO A 17 0.509 -2.995 2.885 1.00 93.53 C +HETATM 114 N HYP A 18 3.231 0.446 1.479 1.00 93.15 N +HETATM 115 CA HYP A 18 3.760 0.954 0.263 1.00 91.69 C +HETATM 116 C HYP A 18 4.357 -0.128 -0.591 1.00 94.27 C +HETATM 117 O HYP A 18 4.845 -1.139 -0.075 1.00 93.84 O +HETATM 118 CB HYP A 18 4.871 1.900 0.761 1.00 89.98 C +HETATM 119 CG HYP A 18 4.394 2.334 2.124 1.00 89.31 C +HETATM 120 CD HYP A 18 3.775 1.058 2.661 1.00 92.36 C +HETATM 121 OD1 HYP A 18 3.382 3.321 1.992 1.00 90.26 O +ATOM 122 N GLY A 19 4.261 0.030 -1.878 1.00 93.53 N +ATOM 123 CA GLY A 19 4.852 -0.904 -2.792 1.00 93.38 C +ATOM 124 C GLY A 19 6.361 -0.858 -2.715 1.00 93.71 C +ATOM 125 O GLY A 19 6.946 0.044 -2.122 1.00 94.44 O +ATOM 126 N PRO A 20 7.007 -1.847 -3.313 1.00 92.90 N +ATOM 127 CA PRO A 20 8.462 -1.880 -3.301 1.00 93.05 C +ATOM 128 C PRO A 20 9.037 -0.793 -4.190 1.00 93.14 C +ATOM 129 O PRO A 20 8.353 -0.236 -5.043 1.00 92.89 O +ATOM 130 CB PRO A 20 8.781 -3.271 -3.839 1.00 91.10 C +ATOM 131 CG PRO A 20 7.620 -3.585 -4.706 1.00 89.26 C +ATOM 132 CD PRO A 20 6.429 -2.959 -4.036 1.00 92.23 C +HETATM 133 N HYP A 21 10.313 -0.503 -3.946 1.00 93.48 N +HETATM 134 CA HYP A 21 10.984 0.445 -4.794 1.00 92.17 C +HETATM 135 C HYP A 21 10.964 0.053 -6.248 1.00 94.17 C +HETATM 136 O HYP A 21 11.031 -1.127 -6.555 1.00 93.86 O +HETATM 137 CB HYP A 21 12.413 0.451 -4.264 1.00 91.24 C +HETATM 138 CG HYP A 21 12.289 0.028 -2.831 1.00 89.97 C +HETATM 139 CD HYP A 21 11.159 -0.979 -2.870 1.00 92.48 C +HETATM 140 OD1 HYP A 21 11.847 1.154 -2.061 1.00 90.05 O +ATOM 141 N GLY A 22 10.782 1.006 -7.124 1.00 94.23 N +ATOM 142 CA GLY A 22 10.812 0.753 -8.535 1.00 93.36 C +ATOM 143 C GLY A 22 12.229 0.479 -9.004 1.00 93.63 C +ATOM 144 O GLY A 22 13.185 0.625 -8.243 1.00 93.48 O +ATOM 145 N PRO A 23 12.397 0.094 -10.269 1.00 94.52 N +ATOM 146 CA PRO A 23 13.725 -0.179 -10.801 1.00 94.06 C +ATOM 147 C PRO A 23 14.466 1.122 -11.046 1.00 93.23 C +ATOM 148 O PRO A 23 14.169 1.850 -11.992 1.00 90.39 O +ATOM 149 CB PRO A 23 13.430 -0.929 -12.091 1.00 91.58 C +ATOM 150 CG PRO A 23 12.103 -0.418 -12.512 1.00 89.24 C +ATOM 151 CD PRO A 23 11.347 -0.134 -11.236 1.00 92.52 C +HETATM 152 N HYP A 24 15.278 1.534 -10.127 1.00 96.25 N +HETATM 153 CA HYP A 24 15.753 2.936 -9.799 1.00 91.13 C +HETATM 154 C HYP A 24 14.903 3.900 -9.341 1.00 95.57 C +HETATM 155 O HYP A 24 14.883 5.072 -9.852 1.00 94.69 O +HETATM 156 CB HYP A 24 17.161 2.862 -9.558 1.00 91.71 C +HETATM 157 CG HYP A 24 17.586 1.674 -10.391 1.00 91.32 C +HETATM 158 CD HYP A 24 16.352 0.713 -10.329 1.00 94.19 C +HETATM 159 OD1 HYP A 24 18.725 1.066 -9.901 1.00 91.14 O +HETATM 160 OXT HYP A 24 15.107 4.593 -8.270 1.00 90.05 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_575.txt b/protein_pdb_575.txt new file mode 100644 index 0000000000000000000000000000000000000000..81cba1360f9753caa0ae4a062aa326c3b734ed71 --- /dev/null +++ b/protein_pdb_575.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 14.868 -3.303 2.934 1.00 93.03 N +ATOM 2 CA GLY A 1 14.242 -2.535 1.915 1.00 93.74 C +ATOM 3 C GLY A 1 13.228 -1.543 2.445 1.00 94.24 C +ATOM 4 O GLY A 1 12.799 -1.632 3.589 1.00 92.77 O +ATOM 5 N PRO A 2 12.856 -0.618 1.637 1.00 93.73 N +ATOM 6 CA PRO A 2 11.899 0.390 2.047 1.00 93.78 C +ATOM 7 C PRO A 2 10.485 -0.159 2.080 1.00 93.73 C +ATOM 8 O PRO A 2 10.212 -1.236 1.559 1.00 92.21 O +ATOM 9 CB PRO A 2 12.057 1.457 0.965 1.00 91.24 C +ATOM 10 CG PRO A 2 12.422 0.666 -0.239 1.00 88.64 C +ATOM 11 CD PRO A 2 13.334 -0.415 0.279 1.00 91.73 C +HETATM 12 N HYP A 3 9.596 0.616 2.705 1.00 94.26 N +HETATM 13 CA HYP A 3 8.216 0.200 2.728 1.00 92.19 C +HETATM 14 C HYP A 3 7.639 0.128 1.327 1.00 93.68 C +HETATM 15 O HYP A 3 8.049 0.914 0.443 1.00 94.42 O +HETATM 16 CB HYP A 3 7.508 1.427 3.446 1.00 90.62 C +HETATM 17 CG HYP A 3 8.596 2.004 4.321 1.00 88.16 C +HETATM 18 CD HYP A 3 9.866 1.831 3.425 1.00 91.95 C +HETATM 19 OD1 HYP A 3 8.712 1.196 5.454 1.00 90.89 O +ATOM 20 N GLY A 4 6.799 -0.862 1.132 1.00 94.62 N +ATOM 21 CA GLY A 4 6.163 -1.005 -0.146 1.00 93.98 C +ATOM 22 C GLY A 4 5.167 0.119 -0.373 1.00 94.32 C +ATOM 23 O GLY A 4 4.819 0.860 0.543 1.00 94.30 O +ATOM 24 N PRO A 5 4.691 0.269 -1.608 1.00 94.11 N +ATOM 25 CA PRO A 5 3.730 1.316 -1.920 1.00 93.86 C +ATOM 26 C PRO A 5 2.376 1.015 -1.307 1.00 93.71 C +ATOM 27 O PRO A 5 2.096 -0.111 -0.910 1.00 92.60 O +ATOM 28 CB PRO A 5 3.675 1.296 -3.448 1.00 92.24 C +ATOM 29 CG PRO A 5 3.968 -0.125 -3.779 1.00 90.69 C +ATOM 30 CD PRO A 5 5.005 -0.545 -2.777 1.00 93.32 C +HETATM 31 N HYP A 6 1.544 2.081 -1.227 1.00 93.66 N +HETATM 32 CA HYP A 6 0.201 1.844 -0.736 1.00 94.69 C +HETATM 33 C HYP A 6 -0.524 0.854 -1.582 1.00 94.17 C +HETATM 34 O HYP A 6 -0.291 0.791 -2.819 1.00 94.35 O +HETATM 35 CB HYP A 6 -0.442 3.280 -0.904 1.00 90.27 C +HETATM 36 CG HYP A 6 0.723 4.221 -0.791 1.00 90.00 C +HETATM 37 CD HYP A 6 1.829 3.475 -1.532 1.00 92.09 C +HETATM 38 OD1 HYP A 6 1.082 4.355 0.566 1.00 90.11 O +ATOM 39 N GLY A 7 -1.301 0.014 -0.947 1.00 94.22 N +ATOM 40 CA GLY A 7 -2.067 -0.966 -1.661 1.00 93.99 C +ATOM 41 C GLY A 7 -3.064 -0.296 -2.577 1.00 94.64 C +ATOM 42 O GLY A 7 -3.348 0.894 -2.454 1.00 94.43 O +ATOM 43 N PRO A 8 -3.610 -1.052 -3.519 1.00 94.80 N +ATOM 44 CA PRO A 8 -4.584 -0.475 -4.438 1.00 94.89 C +ATOM 45 C PRO A 8 -5.880 -0.151 -3.724 1.00 95.01 C +ATOM 46 O PRO A 8 -6.197 -0.714 -2.685 1.00 93.61 O +ATOM 47 CB PRO A 8 -4.771 -1.568 -5.483 1.00 92.91 C +ATOM 48 CG PRO A 8 -4.496 -2.815 -4.729 1.00 91.44 C +ATOM 49 CD PRO A 8 -3.377 -2.457 -3.783 1.00 93.83 C +HETATM 50 N HYP A 9 -6.628 0.769 -4.296 1.00 93.35 N +HETATM 51 CA HYP A 9 -7.896 1.111 -3.740 1.00 93.95 C +HETATM 52 C HYP A 9 -8.830 -0.069 -3.762 1.00 94.45 C +HETATM 53 O HYP A 9 -8.775 -0.878 -4.698 1.00 93.62 O +HETATM 54 CB HYP A 9 -8.420 2.214 -4.744 1.00 89.90 C +HETATM 55 CG HYP A 9 -7.191 2.756 -5.417 1.00 89.30 C +HETATM 56 CD HYP A 9 -6.264 1.594 -5.485 1.00 92.48 C +HETATM 57 OD1 HYP A 9 -6.605 3.731 -4.586 1.00 88.52 O +ATOM 58 N GLY A 10 -9.656 -0.277 -2.775 1.00 93.36 N +ATOM 59 CA GLY A 10 -10.724 -1.239 -2.866 1.00 91.97 C +ATOM 60 C GLY A 10 -11.704 -0.742 -3.913 1.00 92.50 C +ATOM 61 O GLY A 10 -11.520 0.324 -4.502 1.00 91.32 O +ATOM 62 N VAL A 11 -12.755 -1.496 -4.153 1.00 92.99 N +ATOM 63 CA VAL A 11 -13.732 -1.055 -5.148 1.00 93.15 C +ATOM 64 C VAL A 11 -14.185 0.366 -4.825 1.00 93.54 C +ATOM 65 O VAL A 11 -14.197 1.241 -5.692 1.00 92.10 O +ATOM 66 CB VAL A 11 -14.924 -2.019 -5.211 1.00 91.08 C +ATOM 67 CG1 VAL A 11 -15.949 -1.520 -6.211 1.00 85.44 C +ATOM 68 CG2 VAL A 11 -14.446 -3.404 -5.611 1.00 85.47 C +ATOM 69 N TRP A 12 -14.512 0.584 -3.557 1.00 92.66 N +ATOM 70 CA TRP A 12 -14.870 1.920 -3.071 1.00 92.57 C +ATOM 71 C TRP A 12 -14.038 2.324 -1.870 1.00 92.35 C +ATOM 72 O TRP A 12 -14.113 3.465 -1.430 1.00 89.76 O +ATOM 73 CB TRP A 12 -16.353 1.965 -2.694 1.00 91.25 C +ATOM 74 CG TRP A 12 -17.285 1.534 -3.779 1.00 86.58 C +ATOM 75 CD1 TRP A 12 -18.014 0.381 -3.823 1.00 86.53 C +ATOM 76 CD2 TRP A 12 -17.604 2.238 -4.994 1.00 85.62 C +ATOM 77 NE1 TRP A 12 -18.756 0.317 -4.971 1.00 79.73 N +ATOM 78 CE2 TRP A 12 -18.524 1.448 -5.715 1.00 84.11 C +ATOM 79 CE3 TRP A 12 -17.198 3.458 -5.534 1.00 81.03 C +ATOM 80 CZ2 TRP A 12 -19.046 1.843 -6.950 1.00 85.63 C +ATOM 81 CZ3 TRP A 12 -17.708 3.845 -6.751 1.00 78.88 C +ATOM 82 CH2 TRP A 12 -18.623 3.050 -7.454 1.00 77.06 C +ATOM 83 N GLY A 13 -13.293 1.379 -1.333 1.00 94.74 N +ATOM 84 CA GLY A 13 -12.547 1.602 -0.121 1.00 94.23 C +ATOM 85 C GLY A 13 -11.267 2.372 -0.305 1.00 94.80 C +ATOM 86 O GLY A 13 -10.835 2.652 -1.424 1.00 94.68 O +ATOM 87 N PRO A 14 -10.621 2.723 0.808 1.00 95.70 N +ATOM 88 CA PRO A 14 -9.381 3.481 0.774 1.00 95.47 C +ATOM 89 C PRO A 14 -8.214 2.622 0.310 1.00 95.62 C +ATOM 90 O PRO A 14 -8.296 1.399 0.290 1.00 94.69 O +ATOM 91 CB PRO A 14 -9.201 3.928 2.222 1.00 94.27 C +ATOM 92 CG PRO A 14 -9.831 2.820 2.998 1.00 92.89 C +ATOM 93 CD PRO A 14 -11.024 2.415 2.176 1.00 94.44 C +HETATM 94 N HYP A 15 -7.140 3.303 -0.027 1.00 94.35 N +HETATM 95 CA HYP A 15 -5.929 2.588 -0.383 1.00 94.48 C +HETATM 96 C HYP A 15 -5.439 1.745 0.757 1.00 95.59 C +HETATM 97 O HYP A 15 -5.689 2.095 1.934 1.00 94.31 O +HETATM 98 CB HYP A 15 -4.963 3.783 -0.645 1.00 92.03 C +HETATM 99 CG HYP A 15 -5.873 4.931 -1.047 1.00 90.96 C +HETATM 100 CD HYP A 15 -7.061 4.751 -0.144 1.00 93.13 C +HETATM 101 OD1 HYP A 15 -6.256 4.798 -2.393 1.00 90.48 O +ATOM 102 N GLY A 16 -4.824 0.643 0.439 1.00 95.04 N +ATOM 103 CA GLY A 16 -4.254 -0.185 1.454 1.00 94.67 C +ATOM 104 C GLY A 16 -3.067 0.505 2.099 1.00 95.24 C +ATOM 105 O GLY A 16 -2.546 1.483 1.574 1.00 94.97 O +ATOM 106 N PRO A 17 -2.629 -0.006 3.244 1.00 93.73 N +ATOM 107 CA PRO A 17 -1.484 0.581 3.926 1.00 93.47 C +ATOM 108 C PRO A 17 -0.205 0.296 3.158 1.00 94.01 C +ATOM 109 O PRO A 17 -0.156 -0.585 2.307 1.00 92.89 O +ATOM 110 CB PRO A 17 -1.494 -0.101 5.281 1.00 92.06 C +ATOM 111 CG PRO A 17 -2.109 -1.425 4.994 1.00 90.44 C +ATOM 112 CD PRO A 17 -3.168 -1.143 3.969 1.00 92.14 C +HETATM 113 N HYP A 18 0.845 1.079 3.481 1.00 90.68 N +HETATM 114 CA HYP A 18 2.108 0.787 2.897 1.00 90.57 C +HETATM 115 C HYP A 18 2.549 -0.613 3.183 1.00 92.17 C +HETATM 116 O HYP A 18 2.226 -1.158 4.263 1.00 92.41 O +HETATM 117 CB HYP A 18 3.040 1.800 3.588 1.00 88.58 C +HETATM 118 CG HYP A 18 2.136 2.946 3.944 1.00 87.51 C +HETATM 119 CD HYP A 18 0.857 2.229 4.349 1.00 91.27 C +HETATM 120 OD1 HYP A 18 1.882 3.740 2.791 1.00 89.04 O +ATOM 121 N GLY A 19 3.194 -1.230 2.232 1.00 90.93 N +ATOM 122 CA GLY A 19 3.697 -2.559 2.419 1.00 90.58 C +ATOM 123 C GLY A 19 4.761 -2.583 3.493 1.00 91.14 C +ATOM 124 O GLY A 19 5.311 -1.549 3.862 1.00 92.13 O +ATOM 125 N PRO A 20 5.078 -3.765 4.008 1.00 89.81 N +ATOM 126 CA PRO A 20 6.097 -3.878 5.032 1.00 89.87 C +ATOM 127 C PRO A 20 7.479 -3.609 4.458 1.00 89.71 C +ATOM 128 O PRO A 20 7.690 -3.691 3.247 1.00 89.64 O +ATOM 129 CB PRO A 20 5.958 -5.313 5.513 1.00 87.52 C +ATOM 130 CG PRO A 20 5.450 -6.028 4.308 1.00 85.47 C +ATOM 131 CD PRO A 20 4.506 -5.058 3.658 1.00 88.71 C +HETATM 132 N HYP A 21 8.396 -3.271 5.345 1.00 90.75 N +HETATM 133 CA HYP A 21 9.756 -3.110 4.899 1.00 90.67 C +HETATM 134 C HYP A 21 10.313 -4.356 4.234 1.00 91.08 C +HETATM 135 O HYP A 21 9.952 -5.450 4.636 1.00 92.61 O +HETATM 136 CB HYP A 21 10.521 -2.816 6.204 1.00 88.44 C +HETATM 137 CG HYP A 21 9.507 -2.221 7.134 1.00 86.37 C +HETATM 138 CD HYP A 21 8.236 -2.989 6.774 1.00 90.43 C +HETATM 139 OD1 HYP A 21 9.302 -0.853 6.796 1.00 87.73 O +ATOM 140 N GLY A 22 11.096 -4.179 3.227 1.00 92.92 N +ATOM 141 CA GLY A 22 11.721 -5.291 2.578 1.00 91.86 C +ATOM 142 C GLY A 22 12.781 -5.904 3.483 1.00 92.03 C +ATOM 143 O GLY A 22 13.042 -5.396 4.574 1.00 92.01 O +ATOM 144 N PRO A 23 13.425 -6.982 3.062 1.00 93.52 N +ATOM 145 CA PRO A 23 14.452 -7.625 3.870 1.00 92.96 C +ATOM 146 C PRO A 23 15.735 -6.799 3.863 1.00 91.80 C +ATOM 147 O PRO A 23 16.575 -6.959 2.991 1.00 88.81 O +ATOM 148 CB PRO A 23 14.630 -8.980 3.196 1.00 90.46 C +ATOM 149 CG PRO A 23 14.295 -8.710 1.778 1.00 88.44 C +ATOM 150 CD PRO A 23 13.204 -7.666 1.808 1.00 91.73 C +HETATM 151 N HYP A 24 15.862 -5.821 4.660 1.00 95.37 N +HETATM 152 CA HYP A 24 16.720 -4.530 4.519 1.00 90.50 C +HETATM 153 C HYP A 24 16.148 -3.446 3.815 1.00 94.67 C +HETATM 154 O HYP A 24 16.958 -2.770 2.977 1.00 94.10 O +HETATM 155 CB HYP A 24 16.969 -4.182 6.013 1.00 89.75 C +HETATM 156 CG HYP A 24 16.693 -5.436 6.859 1.00 88.94 C +HETATM 157 CD HYP A 24 15.946 -6.398 5.933 1.00 92.28 C +HETATM 158 OD1 HYP A 24 17.903 -6.037 7.228 1.00 89.50 O +HETATM 159 OXT HYP A 24 15.480 -2.383 4.454 1.00 88.55 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_576.txt b/protein_pdb_576.txt new file mode 100644 index 0000000000000000000000000000000000000000..6a1c8aaf8b81db512dd4203884d03d3c38637337 --- /dev/null +++ b/protein_pdb_576.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 10.464 -3.602 -9.749 1.00 92.14 N +ATOM 2 CA GLY A 1 9.708 -2.409 -9.590 1.00 92.42 C +ATOM 3 C GLY A 1 9.695 -1.863 -8.178 1.00 93.53 C +ATOM 4 O GLY A 1 10.028 -2.568 -7.226 1.00 92.58 O +ATOM 5 N PRO A 2 9.321 -0.650 -8.056 1.00 91.71 N +ATOM 6 CA PRO A 2 9.236 -0.022 -6.758 1.00 92.16 C +ATOM 7 C PRO A 2 8.020 -0.499 -5.984 1.00 92.12 C +ATOM 8 O PRO A 2 7.134 -1.151 -6.537 1.00 90.23 O +ATOM 9 CB PRO A 2 9.120 1.460 -7.103 1.00 90.09 C +ATOM 10 CG PRO A 2 8.418 1.450 -8.415 1.00 87.49 C +ATOM 11 CD PRO A 2 8.943 0.249 -9.137 1.00 89.02 C +HETATM 12 N HYP A 3 8.003 -0.166 -4.691 1.00 91.35 N +HETATM 13 CA HYP A 3 6.825 -0.513 -3.920 1.00 91.66 C +HETATM 14 C HYP A 3 5.608 0.140 -4.467 1.00 93.49 C +HETATM 15 O HYP A 3 5.675 1.228 -5.052 1.00 92.56 O +HETATM 16 CB HYP A 3 7.183 0.101 -2.525 1.00 88.83 C +HETATM 17 CG HYP A 3 8.670 0.030 -2.492 1.00 85.13 C +HETATM 18 CD HYP A 3 9.061 0.369 -3.933 1.00 88.55 C +HETATM 19 OD1 HYP A 3 9.056 -1.266 -2.170 1.00 87.39 O +ATOM 20 N GLY A 4 4.499 -0.554 -4.339 1.00 93.02 N +ATOM 21 CA GLY A 4 3.237 -0.017 -4.764 1.00 92.59 C +ATOM 22 C GLY A 4 2.828 1.166 -3.910 1.00 93.21 C +ATOM 23 O GLY A 4 3.434 1.445 -2.877 1.00 93.49 O +ATOM 24 N PRO A 5 1.794 1.878 -4.331 1.00 92.10 N +ATOM 25 CA PRO A 5 1.328 3.037 -3.574 1.00 91.99 C +ATOM 26 C PRO A 5 0.656 2.619 -2.279 1.00 91.60 C +ATOM 27 O PRO A 5 0.271 1.463 -2.107 1.00 90.12 O +ATOM 28 CB PRO A 5 0.343 3.700 -4.524 1.00 90.74 C +ATOM 29 CG PRO A 5 -0.163 2.578 -5.355 1.00 89.40 C +ATOM 30 CD PRO A 5 0.995 1.654 -5.527 1.00 90.69 C +HETATM 31 N HYP A 6 0.530 3.608 -1.337 1.00 91.15 N +HETATM 32 CA HYP A 6 -0.173 3.313 -0.130 1.00 93.48 C +HETATM 33 C HYP A 6 -1.593 2.904 -0.368 1.00 92.88 C +HETATM 34 O HYP A 6 -2.227 3.370 -1.327 1.00 93.26 O +HETATM 35 CB HYP A 6 -0.121 4.655 0.646 1.00 89.02 C +HETATM 36 CG HYP A 6 1.139 5.295 0.125 1.00 88.06 C +HETATM 37 CD HYP A 6 1.089 4.929 -1.325 1.00 90.55 C +HETATM 38 OD1 HYP A 6 2.239 4.689 0.752 1.00 88.54 O +ATOM 39 N GLY A 7 -2.049 2.004 0.429 1.00 94.14 N +ATOM 40 CA GLY A 7 -3.420 1.584 0.343 1.00 94.07 C +ATOM 41 C GLY A 7 -4.358 2.708 0.730 1.00 94.61 C +ATOM 42 O GLY A 7 -3.935 3.755 1.216 1.00 94.61 O +ATOM 43 N PRO A 8 -5.639 2.508 0.520 1.00 93.81 N +ATOM 44 CA PRO A 8 -6.614 3.526 0.868 1.00 93.79 C +ATOM 45 C PRO A 8 -6.764 3.660 2.378 1.00 93.51 C +ATOM 46 O PRO A 8 -6.397 2.769 3.135 1.00 91.74 O +ATOM 47 CB PRO A 8 -7.903 3.013 0.233 1.00 92.60 C +ATOM 48 CG PRO A 8 -7.728 1.541 0.214 1.00 91.02 C +ATOM 49 CD PRO A 8 -6.263 1.316 -0.045 1.00 92.99 C +HETATM 50 N HYP A 9 -7.320 4.798 2.814 1.00 92.08 N +HETATM 51 CA HYP A 9 -7.587 4.995 4.192 1.00 92.37 C +HETATM 52 C HYP A 9 -8.546 3.970 4.689 1.00 91.19 C +HETATM 53 O HYP A 9 -9.401 3.514 3.963 1.00 91.33 O +HETATM 54 CB HYP A 9 -8.162 6.393 4.271 1.00 87.70 C +HETATM 55 CG HYP A 9 -7.605 7.075 3.108 1.00 86.69 C +HETATM 56 CD HYP A 9 -7.555 6.009 2.058 1.00 89.60 C +HETATM 57 OD1 HYP A 9 -6.305 7.503 3.399 1.00 87.02 O +ATOM 58 N GLY A 10 -8.436 3.621 5.933 1.00 92.96 N +ATOM 59 CA GLY A 10 -9.287 2.643 6.558 1.00 91.26 C +ATOM 60 C GLY A 10 -10.663 3.169 6.910 1.00 91.39 C +ATOM 61 O GLY A 10 -11.298 2.652 7.827 1.00 90.30 O +ATOM 62 N GLY A 11 -11.132 4.192 6.220 1.00 91.53 N +ATOM 63 CA GLY A 11 -12.395 4.841 6.522 1.00 90.73 C +ATOM 64 C GLY A 11 -12.134 6.168 7.181 1.00 92.27 C +ATOM 65 O GLY A 11 -12.383 7.225 6.604 1.00 89.31 O +ATOM 66 N ASN A 12 -11.622 6.107 8.377 1.00 90.23 N +ATOM 67 CA ASN A 12 -11.114 7.269 9.093 1.00 93.02 C +ATOM 68 C ASN A 12 -9.747 6.959 9.674 1.00 93.59 C +ATOM 69 O ASN A 12 -9.336 7.538 10.679 1.00 91.31 O +ATOM 70 CB ASN A 12 -12.085 7.679 10.206 1.00 90.80 C +ATOM 71 CG ASN A 12 -13.398 8.183 9.653 1.00 85.91 C +ATOM 72 OD1 ASN A 12 -14.399 7.484 9.707 1.00 84.13 O +ATOM 73 ND2 ASN A 12 -13.387 9.394 9.125 1.00 79.61 N +ATOM 74 N GLY A 13 -9.062 6.043 9.035 1.00 94.04 N +ATOM 75 CA GLY A 13 -7.777 5.587 9.515 1.00 93.33 C +ATOM 76 C GLY A 13 -6.662 5.919 8.558 1.00 94.03 C +ATOM 77 O GLY A 13 -6.882 6.544 7.521 1.00 93.51 O +ATOM 78 N PRO A 14 -5.456 5.522 8.901 1.00 94.13 N +ATOM 79 CA PRO A 14 -4.304 5.808 8.063 1.00 93.87 C +ATOM 80 C PRO A 14 -4.345 4.999 6.776 1.00 93.90 C +ATOM 81 O PRO A 14 -5.046 4.002 6.671 1.00 92.93 O +ATOM 82 CB PRO A 14 -3.116 5.400 8.933 1.00 92.86 C +ATOM 83 CG PRO A 14 -3.668 4.332 9.813 1.00 91.80 C +ATOM 84 CD PRO A 14 -5.089 4.737 10.087 1.00 92.52 C +HETATM 85 N HYP A 15 -3.588 5.475 5.806 1.00 93.39 N +HETATM 86 CA HYP A 15 -3.422 4.714 4.614 1.00 95.05 C +HETATM 87 C HYP A 15 -2.871 3.364 4.845 1.00 94.49 C +HETATM 88 O HYP A 15 -2.137 3.174 5.844 1.00 92.58 O +HETATM 89 CB HYP A 15 -2.474 5.614 3.788 1.00 91.74 C +HETATM 90 CG HYP A 15 -2.773 7.003 4.295 1.00 89.30 C +HETATM 91 CD HYP A 15 -2.998 6.770 5.768 1.00 91.69 C +HETATM 92 OD1 HYP A 15 -3.924 7.482 3.681 1.00 89.62 O +ATOM 93 N GLY A 16 -3.222 2.447 4.014 1.00 94.73 N +ATOM 94 CA GLY A 16 -2.661 1.132 4.095 1.00 94.28 C +ATOM 95 C GLY A 16 -1.185 1.152 3.776 1.00 94.80 C +ATOM 96 O GLY A 16 -0.641 2.155 3.315 1.00 94.52 O +ATOM 97 N PRO A 17 -0.520 0.035 4.025 1.00 93.64 N +ATOM 98 CA PRO A 17 0.910 -0.039 3.758 1.00 93.37 C +ATOM 99 C PRO A 17 1.200 -0.034 2.266 1.00 93.72 C +ATOM 100 O PRO A 17 0.327 -0.335 1.451 1.00 92.74 O +ATOM 101 CB PRO A 17 1.323 -1.354 4.412 1.00 92.11 C +ATOM 102 CG PRO A 17 0.089 -2.173 4.377 1.00 90.58 C +ATOM 103 CD PRO A 17 -1.045 -1.211 4.564 1.00 91.76 C +HETATM 104 N HYP A 18 2.449 0.330 1.906 1.00 90.15 N +HETATM 105 CA HYP A 18 2.840 0.246 0.557 1.00 90.79 C +HETATM 106 C HYP A 18 2.723 -1.120 0.004 1.00 92.28 C +HETATM 107 O HYP A 18 2.870 -2.120 0.736 1.00 92.66 O +HETATM 108 CB HYP A 18 4.315 0.697 0.602 1.00 87.93 C +HETATM 109 CG HYP A 18 4.381 1.579 1.808 1.00 86.17 C +HETATM 110 CD HYP A 18 3.445 0.876 2.764 1.00 90.45 C +HETATM 111 OD1 HYP A 18 3.869 2.856 1.494 1.00 88.57 O +ATOM 112 N GLY A 19 2.421 -1.214 -1.254 1.00 93.62 N +ATOM 113 CA GLY A 19 2.384 -2.480 -1.932 1.00 93.65 C +ATOM 114 C GLY A 19 3.769 -3.091 -2.012 1.00 93.92 C +ATOM 115 O GLY A 19 4.772 -2.437 -1.752 1.00 93.83 O +ATOM 116 N PRO A 20 3.826 -4.353 -2.370 1.00 89.52 N +ATOM 117 CA PRO A 20 5.109 -5.024 -2.475 1.00 89.46 C +ATOM 118 C PRO A 20 5.893 -4.528 -3.680 1.00 88.81 C +ATOM 119 O PRO A 20 5.338 -3.937 -4.599 1.00 88.67 O +ATOM 120 CB PRO A 20 4.725 -6.496 -2.626 1.00 88.04 C +ATOM 121 CG PRO A 20 3.388 -6.440 -3.266 1.00 86.39 C +ATOM 122 CD PRO A 20 2.711 -5.224 -2.699 1.00 87.48 C +HETATM 123 N HYP A 21 7.223 -4.756 -3.645 1.00 89.95 N +HETATM 124 CA HYP A 21 8.016 -4.435 -4.773 1.00 92.96 C +HETATM 125 C HYP A 21 7.552 -5.106 -6.026 1.00 90.19 C +HETATM 126 O HYP A 21 7.114 -6.258 -5.967 1.00 91.75 O +HETATM 127 CB HYP A 21 9.429 -4.949 -4.411 1.00 87.15 C +HETATM 128 CG HYP A 21 9.442 -4.911 -2.925 1.00 84.13 C +HETATM 129 CD HYP A 21 8.035 -5.283 -2.562 1.00 89.05 C +HETATM 130 OD1 HYP A 21 9.691 -3.578 -2.487 1.00 85.75 O +ATOM 131 N GLY A 22 7.550 -4.397 -7.126 1.00 92.62 N +ATOM 132 CA GLY A 22 7.211 -4.961 -8.394 1.00 91.19 C +ATOM 133 C GLY A 22 8.302 -5.905 -8.866 1.00 90.92 C +ATOM 134 O GLY A 22 9.392 -5.954 -8.290 1.00 90.53 O +ATOM 135 N PRO A 23 8.043 -6.649 -9.928 1.00 92.70 N +ATOM 136 CA PRO A 23 9.044 -7.562 -10.465 1.00 92.76 C +ATOM 137 C PRO A 23 10.099 -6.782 -11.240 1.00 91.74 C +ATOM 138 O PRO A 23 9.852 -6.341 -12.355 1.00 89.12 O +ATOM 139 CB PRO A 23 8.227 -8.479 -11.365 1.00 90.80 C +ATOM 140 CG PRO A 23 7.081 -7.643 -11.789 1.00 88.35 C +ATOM 141 CD PRO A 23 6.786 -6.717 -10.640 1.00 90.49 C +HETATM 142 N HYP A 24 11.174 -6.456 -10.588 1.00 94.08 N +HETATM 143 CA HYP A 24 12.108 -5.355 -10.843 1.00 91.03 C +HETATM 144 C HYP A 24 11.704 -4.018 -10.553 1.00 93.65 C +HETATM 145 O HYP A 24 11.801 -3.144 -11.525 1.00 91.63 O +HETATM 146 CB HYP A 24 13.451 -5.783 -10.784 1.00 89.71 C +HETATM 147 CG HYP A 24 13.278 -7.198 -11.282 1.00 89.02 C +HETATM 148 CD HYP A 24 11.875 -7.626 -10.749 1.00 92.12 C +HETATM 149 OD1 HYP A 24 14.272 -8.033 -10.826 1.00 90.08 O +HETATM 150 OXT HYP A 24 12.458 -3.278 -9.651 1.00 88.78 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_577.txt b/protein_pdb_577.txt new file mode 100644 index 0000000000000000000000000000000000000000..384c31ba7d72b9f8cac88230c451de54fa98b869 --- /dev/null +++ b/protein_pdb_577.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 13.995 4.320 -6.726 1.00 80.93 N +ATOM 2 CA GLY A 1 12.718 4.912 -6.885 1.00 80.84 C +ATOM 3 C GLY A 1 11.962 5.253 -5.616 1.00 80.24 C +ATOM 4 O GLY A 1 12.387 4.921 -4.512 1.00 76.36 O +ATOM 5 N PRO A 2 10.847 5.902 -5.780 1.00 84.93 N +ATOM 6 CA PRO A 2 10.006 6.306 -4.675 1.00 85.68 C +ATOM 7 C PRO A 2 9.232 5.133 -4.105 1.00 85.23 C +ATOM 8 O PRO A 2 9.193 4.054 -4.688 1.00 82.21 O +ATOM 9 CB PRO A 2 9.077 7.334 -5.312 1.00 81.19 C +ATOM 10 CG PRO A 2 8.928 6.825 -6.706 1.00 76.65 C +ATOM 11 CD PRO A 2 10.303 6.322 -7.064 1.00 77.23 C +HETATM 12 N HYP A 3 8.601 5.411 -2.961 1.00 81.66 N +HETATM 13 CA HYP A 3 7.784 4.341 -2.382 1.00 81.99 C +HETATM 14 C HYP A 3 6.724 3.886 -3.325 1.00 83.78 C +HETATM 15 O HYP A 3 6.270 4.678 -4.189 1.00 85.27 O +HETATM 16 CB HYP A 3 7.179 5.085 -1.152 1.00 82.27 C +HETATM 17 CG HYP A 3 8.192 6.146 -0.827 1.00 79.50 C +HETATM 18 CD HYP A 3 8.682 6.605 -2.207 1.00 82.23 C +HETATM 19 OD1 HYP A 3 9.253 5.576 -0.133 1.00 83.72 O +ATOM 20 N GLY A 4 6.376 2.641 -3.243 1.00 87.12 N +ATOM 21 CA GLY A 4 5.361 2.100 -4.099 1.00 85.08 C +ATOM 22 C GLY A 4 4.007 2.676 -3.730 1.00 84.92 C +ATOM 23 O GLY A 4 3.868 3.398 -2.742 1.00 84.06 O +ATOM 24 N PRO A 5 2.987 2.357 -4.521 1.00 89.11 N +ATOM 25 CA PRO A 5 1.648 2.859 -4.245 1.00 88.06 C +ATOM 26 C PRO A 5 1.057 2.206 -3.009 1.00 87.61 C +ATOM 27 O PRO A 5 1.505 1.143 -2.580 1.00 85.26 O +ATOM 28 CB PRO A 5 0.869 2.501 -5.508 1.00 85.16 C +ATOM 29 CG PRO A 5 1.566 1.288 -6.009 1.00 83.89 C +ATOM 30 CD PRO A 5 3.021 1.536 -5.728 1.00 85.54 C +HETATM 31 N HYP A 6 0.062 2.854 -2.455 1.00 88.06 N +HETATM 32 CA HYP A 6 -0.640 2.265 -1.304 1.00 89.99 C +HETATM 33 C HYP A 6 -1.203 0.934 -1.621 1.00 86.07 C +HETATM 34 O HYP A 6 -1.608 0.667 -2.792 1.00 87.28 O +HETATM 35 CB HYP A 6 -1.742 3.317 -1.097 1.00 84.81 C +HETATM 36 CG HYP A 6 -1.146 4.596 -1.605 1.00 83.43 C +HETATM 37 CD HYP A 6 -0.419 4.143 -2.819 1.00 85.69 C +HETATM 38 OD1 HYP A 6 -0.258 5.137 -0.679 1.00 83.61 O +ATOM 39 N GLY A 7 -1.160 0.064 -0.654 1.00 90.22 N +ATOM 40 CA GLY A 7 -1.687 -1.260 -0.834 1.00 87.99 C +ATOM 41 C GLY A 7 -3.200 -1.211 -0.946 1.00 88.14 C +ATOM 42 O GLY A 7 -3.818 -0.162 -0.785 1.00 87.51 O +ATOM 43 N PRO A 8 -3.800 -2.357 -1.225 1.00 89.60 N +ATOM 44 CA PRO A 8 -5.253 -2.411 -1.366 1.00 89.09 C +ATOM 45 C PRO A 8 -5.944 -2.265 -0.021 1.00 88.71 C +ATOM 46 O PRO A 8 -5.375 -2.548 1.028 1.00 85.93 O +ATOM 47 CB PRO A 8 -5.500 -3.783 -1.975 1.00 86.35 C +ATOM 48 CG PRO A 8 -4.365 -4.601 -1.460 1.00 86.88 C +ATOM 49 CD PRO A 8 -3.188 -3.654 -1.461 1.00 88.85 C +HETATM 50 N HYP A 9 -7.199 -1.838 -0.066 1.00 82.25 N +HETATM 51 CA HYP A 9 -7.971 -1.710 1.113 1.00 85.75 C +HETATM 52 C HYP A 9 -8.287 -3.087 1.690 1.00 81.75 C +HETATM 53 O HYP A 9 -8.308 -4.085 0.980 1.00 81.51 O +HETATM 54 CB HYP A 9 -9.312 -1.207 0.484 1.00 80.61 C +HETATM 55 CG HYP A 9 -8.914 -0.505 -0.734 1.00 81.45 C +HETATM 56 CD HYP A 9 -7.814 -1.297 -1.236 1.00 83.29 C +HETATM 57 OD1 HYP A 9 -8.470 0.792 -0.449 1.00 81.42 O +ATOM 58 N GLY A 10 -8.529 -3.128 2.964 1.00 86.50 N +ATOM 59 CA GLY A 10 -8.983 -4.350 3.589 1.00 83.87 C +ATOM 60 C GLY A 10 -10.455 -4.554 3.253 1.00 84.47 C +ATOM 61 O GLY A 10 -11.003 -3.895 2.372 1.00 81.59 O +ATOM 62 N HIS A 11 -11.094 -5.438 3.966 1.00 82.60 N +ATOM 63 CA HIS A 11 -12.521 -5.662 3.724 1.00 83.75 C +ATOM 64 C HIS A 11 -13.276 -4.344 3.850 1.00 82.85 C +ATOM 65 O HIS A 11 -14.142 -4.029 3.035 1.00 79.50 O +ATOM 66 CB HIS A 11 -13.072 -6.663 4.727 1.00 80.70 C +ATOM 67 CG HIS A 11 -12.524 -8.051 4.537 1.00 76.55 C +ATOM 68 ND1 HIS A 11 -12.682 -9.052 5.468 1.00 73.29 N +ATOM 69 CD2 HIS A 11 -11.827 -8.592 3.518 1.00 68.49 C +ATOM 70 CE1 HIS A 11 -12.095 -10.140 5.019 1.00 69.75 C +ATOM 71 NE2 HIS A 11 -11.572 -9.902 3.836 1.00 70.54 N +ATOM 72 N PHE A 12 -12.945 -3.577 4.866 1.00 75.22 N +ATOM 73 CA PHE A 12 -13.474 -2.239 5.043 1.00 78.30 C +ATOM 74 C PHE A 12 -12.476 -1.505 5.919 1.00 78.32 C +ATOM 75 O PHE A 12 -12.618 -1.454 7.146 1.00 75.28 O +ATOM 76 CB PHE A 12 -14.866 -2.280 5.688 1.00 76.22 C +ATOM 77 CG PHE A 12 -15.670 -1.042 5.384 1.00 72.04 C +ATOM 78 CD1 PHE A 12 -15.468 0.122 6.105 1.00 69.06 C +ATOM 79 CD2 PHE A 12 -16.605 -1.038 4.360 1.00 67.79 C +ATOM 80 CE1 PHE A 12 -16.177 1.280 5.802 1.00 66.51 C +ATOM 81 CE2 PHE A 12 -17.324 0.109 4.055 1.00 67.87 C +ATOM 82 CZ PHE A 12 -17.121 1.271 4.786 1.00 65.79 C +ATOM 83 N GLY A 13 -11.457 -0.984 5.273 1.00 85.99 N +ATOM 84 CA GLY A 13 -10.406 -0.340 6.019 1.00 83.93 C +ATOM 85 C GLY A 13 -9.540 0.510 5.126 1.00 84.50 C +ATOM 86 O GLY A 13 -9.775 0.608 3.924 1.00 84.55 O +ATOM 87 N PRO A 14 -8.565 1.145 5.717 1.00 86.80 N +ATOM 88 CA PRO A 14 -7.692 2.033 4.969 1.00 85.77 C +ATOM 89 C PRO A 14 -6.833 1.278 3.977 1.00 85.22 C +ATOM 90 O PRO A 14 -6.643 0.071 4.083 1.00 82.39 O +ATOM 91 CB PRO A 14 -6.847 2.702 6.053 1.00 82.25 C +ATOM 92 CG PRO A 14 -6.774 1.669 7.118 1.00 82.22 C +ATOM 93 CD PRO A 14 -8.144 1.035 7.113 1.00 82.50 C +HETATM 94 N HYP A 15 -6.342 2.028 3.031 1.00 82.45 N +HETATM 95 CA HYP A 15 -5.399 1.432 2.117 1.00 84.88 C +HETATM 96 C HYP A 15 -4.226 0.887 2.823 1.00 86.19 C +HETATM 97 O HYP A 15 -3.920 1.348 3.957 1.00 85.58 O +HETATM 98 CB HYP A 15 -5.103 2.678 1.244 1.00 83.83 C +HETATM 99 CG HYP A 15 -6.340 3.524 1.356 1.00 80.71 C +HETATM 100 CD HYP A 15 -6.742 3.349 2.772 1.00 83.30 C +HETATM 101 OD1 HYP A 15 -7.337 3.087 0.503 1.00 83.76 O +ATOM 102 N GLY A 16 -3.603 -0.078 2.250 1.00 89.24 N +ATOM 103 CA GLY A 16 -2.429 -0.636 2.848 1.00 87.77 C +ATOM 104 C GLY A 16 -1.304 0.381 2.835 1.00 87.64 C +ATOM 105 O GLY A 16 -1.426 1.454 2.245 1.00 86.42 O +ATOM 106 N PRO A 17 -0.209 0.039 3.497 1.00 89.93 N +ATOM 107 CA PRO A 17 0.922 0.956 3.529 1.00 89.27 C +ATOM 108 C PRO A 17 1.576 1.057 2.167 1.00 89.81 C +ATOM 109 O PRO A 17 1.423 0.178 1.321 1.00 87.78 O +ATOM 110 CB PRO A 17 1.850 0.337 4.568 1.00 86.63 C +ATOM 111 CG PRO A 17 1.534 -1.116 4.492 1.00 86.17 C +ATOM 112 CD PRO A 17 0.054 -1.177 4.248 1.00 87.57 C +HETATM 113 N HYP A 18 2.290 2.137 1.962 1.00 85.88 N +HETATM 114 CA HYP A 18 3.023 2.267 0.746 1.00 90.27 C +HETATM 115 C HYP A 18 3.994 1.180 0.532 1.00 89.17 C +HETATM 116 O HYP A 18 4.520 0.590 1.505 1.00 87.17 O +HETATM 117 CB HYP A 18 3.706 3.611 0.969 1.00 86.55 C +HETATM 118 CG HYP A 18 2.807 4.352 1.930 1.00 84.34 C +HETATM 119 CD HYP A 18 2.341 3.263 2.835 1.00 86.94 C +HETATM 120 OD1 HYP A 18 1.720 4.925 1.256 1.00 86.32 O +ATOM 121 N GLY A 19 4.189 0.824 -0.702 1.00 88.83 N +ATOM 122 CA GLY A 19 5.118 -0.212 -1.044 1.00 87.58 C +ATOM 123 C GLY A 19 6.538 0.241 -0.779 1.00 87.94 C +ATOM 124 O GLY A 19 6.788 1.405 -0.466 1.00 87.53 O +ATOM 125 N PRO A 20 7.477 -0.675 -0.900 1.00 85.21 N +ATOM 126 CA PRO A 20 8.867 -0.327 -0.670 1.00 84.27 C +ATOM 127 C PRO A 20 9.413 0.532 -1.799 1.00 83.91 C +ATOM 128 O PRO A 20 8.844 0.581 -2.882 1.00 81.27 O +ATOM 129 CB PRO A 20 9.554 -1.686 -0.604 1.00 81.25 C +ATOM 130 CG PRO A 20 8.717 -2.537 -1.489 1.00 79.72 C +ATOM 131 CD PRO A 20 7.302 -2.076 -1.234 1.00 80.64 C +HETATM 132 N HYP A 21 10.505 1.206 -1.529 1.00 84.15 N +HETATM 133 CA HYP A 21 11.154 1.976 -2.534 1.00 86.27 C +HETATM 134 C HYP A 21 11.548 1.180 -3.754 1.00 84.48 C +HETATM 135 O HYP A 21 11.925 0.001 -3.629 1.00 85.57 O +HETATM 136 CB HYP A 21 12.385 2.459 -1.801 1.00 83.12 C +HETATM 137 CG HYP A 21 11.970 2.519 -0.387 1.00 79.99 C +HETATM 138 CD HYP A 21 11.105 1.339 -0.244 1.00 85.18 C +HETATM 139 OD1 HYP A 21 11.198 3.684 -0.116 1.00 85.09 O +ATOM 140 N GLY A 22 11.349 1.748 -4.917 1.00 85.62 N +ATOM 141 CA GLY A 22 11.665 1.084 -6.146 1.00 83.46 C +ATOM 142 C GLY A 22 13.172 1.003 -6.316 1.00 83.53 C +ATOM 143 O GLY A 22 13.927 1.557 -5.519 1.00 81.56 O +ATOM 144 N PRO A 23 13.626 0.325 -7.357 1.00 85.12 N +ATOM 145 CA PRO A 23 15.054 0.214 -7.603 1.00 85.06 C +ATOM 146 C PRO A 23 15.600 1.539 -8.123 1.00 84.20 C +ATOM 147 O PRO A 23 15.267 1.959 -9.221 1.00 79.88 O +ATOM 148 CB PRO A 23 15.135 -0.895 -8.650 1.00 80.27 C +ATOM 149 CG PRO A 23 13.845 -0.792 -9.380 1.00 78.36 C +ATOM 150 CD PRO A 23 12.831 -0.402 -8.329 1.00 80.38 C +HETATM 151 N HYP A 24 16.322 2.265 -7.317 1.00 82.37 N +HETATM 152 CA HYP A 24 16.582 3.695 -7.545 1.00 76.10 C +HETATM 153 C HYP A 24 15.686 4.584 -7.849 1.00 79.17 C +HETATM 154 O HYP A 24 15.656 5.826 -7.578 1.00 77.73 O +HETATM 155 CB HYP A 24 17.895 3.957 -7.002 1.00 77.42 C +HETATM 156 CG HYP A 24 18.565 2.623 -6.923 1.00 77.39 C +HETATM 157 CD HYP A 24 17.410 1.608 -6.843 1.00 82.31 C +HETATM 158 OD1 HYP A 24 19.379 2.491 -5.786 1.00 80.81 O +HETATM 159 OXT HYP A 24 14.955 4.314 -8.847 1.00 74.39 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_578.txt b/protein_pdb_578.txt new file mode 100644 index 0000000000000000000000000000000000000000..1918f810ac45f621dfac1dc8cbc5be6c6692aaa8 --- /dev/null +++ b/protein_pdb_578.txt @@ -0,0 +1,199 @@ +ATOM 1 N GLY A 1 26.809 -29.694 25.348 1.00 86.96 N +ATOM 2 CA GLY A 1 25.786 -30.121 24.386 1.00 89.24 C +ATOM 3 C GLY A 1 25.866 -29.323 23.097 1.00 90.03 C +ATOM 4 O GLY A 1 26.593 -28.327 23.034 1.00 85.81 O +ATOM 5 N LEU A 2 25.144 -29.753 22.085 1.00 93.49 N +ATOM 6 CA LEU A 2 25.136 -29.056 20.810 1.00 95.17 C +ATOM 7 C LEU A 2 24.300 -27.784 20.900 1.00 95.21 C +ATOM 8 O LEU A 2 23.357 -27.699 21.691 1.00 93.32 O +ATOM 9 CB LEU A 2 24.570 -29.956 19.710 1.00 90.67 C +ATOM 10 CG LEU A 2 25.362 -31.236 19.405 1.00 79.47 C +ATOM 11 CD1 LEU A 2 24.624 -32.057 18.364 1.00 78.00 C +ATOM 12 CD2 LEU A 2 26.761 -30.900 18.924 1.00 73.56 C +ATOM 13 N ALA A 3 24.633 -26.791 20.065 1.00 93.64 N +ATOM 14 CA ALA A 3 23.876 -25.547 20.024 1.00 94.68 C +ATOM 15 C ALA A 3 22.469 -25.826 19.503 1.00 95.25 C +ATOM 16 O ALA A 3 22.258 -26.728 18.687 1.00 92.92 O +ATOM 17 CB ALA A 3 24.571 -24.530 19.122 1.00 89.55 C +ATOM 18 N GLY A 4 21.511 -25.040 19.958 1.00 95.47 N +ATOM 19 CA GLY A 4 20.146 -25.211 19.504 1.00 95.23 C +ATOM 20 C GLY A 4 19.976 -24.813 18.048 1.00 95.58 C +ATOM 21 O GLY A 4 20.809 -24.109 17.483 1.00 95.60 O +ATOM 22 N ALA A 5 18.887 -25.274 17.428 1.00 96.40 N +ATOM 23 CA ALA A 5 18.598 -24.960 16.037 1.00 96.59 C +ATOM 24 C ALA A 5 18.270 -23.488 15.897 1.00 96.87 C +ATOM 25 O ALA A 5 17.802 -22.844 16.837 1.00 95.52 O +ATOM 26 CB ALA A 5 17.427 -25.794 15.544 1.00 93.42 C +HETATM 27 N HYP A 6 18.538 -22.970 14.732 1.00 96.17 N +HETATM 28 CA HYP A 6 18.162 -21.608 14.437 1.00 96.65 C +HETATM 29 C HYP A 6 16.678 -21.322 14.560 1.00 96.36 C +HETATM 30 O HYP A 6 15.862 -22.199 14.243 1.00 95.28 O +HETATM 31 CB HYP A 6 18.630 -21.357 12.972 1.00 95.01 C +HETATM 32 CG HYP A 6 19.702 -22.379 12.756 1.00 95.54 C +HETATM 33 CD HYP A 6 19.268 -23.541 13.617 1.00 95.80 C +HETATM 34 OD1 HYP A 6 20.956 -21.900 13.141 1.00 95.06 O +ATOM 35 N GLY A 7 16.343 -20.105 15.010 1.00 96.61 N +ATOM 36 CA GLY A 7 14.957 -19.723 15.148 1.00 96.31 C +ATOM 37 C GLY A 7 14.294 -19.584 13.782 1.00 96.59 C +ATOM 38 O GLY A 7 14.966 -19.530 12.745 1.00 96.63 O +ATOM 39 N LEU A 8 12.953 -19.522 13.785 1.00 96.32 N +ATOM 40 CA LEU A 8 12.208 -19.374 12.549 1.00 96.36 C +ATOM 41 C LEU A 8 12.386 -17.975 11.974 1.00 96.08 C +ATOM 42 O LEU A 8 12.554 -16.999 12.710 1.00 95.52 O +ATOM 43 CB LEU A 8 10.717 -19.624 12.786 1.00 94.54 C +ATOM 44 CG LEU A 8 10.344 -21.030 13.260 1.00 87.64 C +ATOM 45 CD1 LEU A 8 8.856 -21.085 13.565 1.00 86.03 C +ATOM 46 CD2 LEU A 8 10.720 -22.061 12.211 1.00 83.97 C +ATOM 47 N ARG A 9 12.326 -17.862 10.643 1.00 96.46 N +ATOM 48 CA ARG A 9 12.436 -16.569 9.979 1.00 96.09 C +ATOM 49 C ARG A 9 11.201 -15.740 10.295 1.00 94.58 C +ATOM 50 O ARG A 9 10.090 -16.268 10.376 1.00 92.93 O +ATOM 51 CB ARG A 9 12.569 -16.761 8.465 1.00 93.15 C +ATOM 52 CG ARG A 9 12.770 -15.459 7.699 1.00 86.91 C +ATOM 53 CD ARG A 9 12.872 -15.706 6.208 1.00 84.56 C +ATOM 54 NE ARG A 9 13.099 -14.469 5.470 1.00 79.20 N +ATOM 55 CZ ARG A 9 13.140 -14.372 4.157 1.00 74.49 C +ATOM 56 NH1 ARG A 9 12.962 -15.442 3.399 1.00 70.63 N +ATOM 57 NH2 ARG A 9 13.349 -13.203 3.590 1.00 70.26 N +ATOM 58 N GLY A 10 11.399 -14.461 10.479 1.00 96.51 N +ATOM 59 CA GLY A 10 10.279 -13.581 10.752 1.00 95.56 C +ATOM 60 C GLY A 10 9.317 -13.523 9.579 1.00 95.63 C +ATOM 61 O GLY A 10 9.688 -13.823 8.436 1.00 95.69 O +ATOM 62 N GLY A 11 8.084 -13.147 9.851 1.00 96.39 N +ATOM 63 CA GLY A 11 7.080 -13.058 8.808 1.00 95.79 C +ATOM 64 C GLY A 11 7.294 -11.855 7.910 1.00 95.93 C +ATOM 65 O GLY A 11 8.077 -10.957 8.212 1.00 95.27 O +ATOM 66 N ALA A 12 6.577 -11.827 6.785 1.00 96.44 N +ATOM 67 CA ALA A 12 6.673 -10.725 5.843 1.00 96.66 C +ATOM 68 C ALA A 12 6.144 -9.446 6.485 1.00 96.82 C +ATOM 69 O ALA A 12 5.255 -9.488 7.340 1.00 95.41 O +ATOM 70 CB ALA A 12 5.875 -11.036 4.580 1.00 95.01 C +ATOM 71 N GLY A 13 6.700 -8.309 6.073 1.00 97.57 N +ATOM 72 CA GLY A 13 6.259 -7.034 6.591 1.00 97.25 C +ATOM 73 C GLY A 13 4.878 -6.667 6.074 1.00 97.43 C +ATOM 74 O GLY A 13 4.345 -7.336 5.190 1.00 97.59 O +ATOM 75 N PRO A 14 4.289 -5.599 6.609 1.00 97.84 N +ATOM 76 CA PRO A 14 2.953 -5.173 6.180 1.00 97.66 C +ATOM 77 C PRO A 14 2.977 -4.590 4.779 1.00 97.82 C +ATOM 78 O PRO A 14 4.015 -4.166 4.285 1.00 97.70 O +ATOM 79 CB PRO A 14 2.573 -4.115 7.217 1.00 96.52 C +ATOM 80 CG PRO A 14 3.888 -3.530 7.607 1.00 95.81 C +ATOM 81 CD PRO A 14 4.824 -4.722 7.654 1.00 97.09 C +HETATM 82 N HYP A 15 1.834 -4.546 4.115 1.00 97.26 N +HETATM 83 CA HYP A 15 1.681 -3.940 2.830 1.00 97.17 C +HETATM 84 C HYP A 15 2.070 -2.505 2.848 1.00 96.56 C +HETATM 85 O HYP A 15 1.884 -1.811 3.867 1.00 96.18 O +HETATM 86 CB HYP A 15 0.160 -4.101 2.516 1.00 95.75 C +HETATM 87 CG HYP A 15 -0.243 -5.272 3.356 1.00 95.33 C +HETATM 88 CD HYP A 15 0.624 -5.165 4.586 1.00 95.93 C +HETATM 89 OD1 HYP A 15 -0.011 -6.505 2.710 1.00 94.83 O +ATOM 90 N GLY A 16 2.633 -1.982 1.759 1.00 97.52 N +ATOM 91 CA GLY A 16 3.041 -0.601 1.673 1.00 96.87 C +ATOM 92 C GLY A 16 1.831 0.322 1.738 1.00 97.12 C +ATOM 93 O GLY A 16 0.686 -0.121 1.635 1.00 97.31 O +ATOM 94 N PRO A 17 2.084 1.641 1.885 1.00 97.87 N +ATOM 95 CA PRO A 17 0.979 2.599 1.957 1.00 97.46 C +ATOM 96 C PRO A 17 0.244 2.731 0.630 1.00 97.69 C +ATOM 97 O PRO A 17 0.798 2.486 -0.436 1.00 97.01 O +ATOM 98 CB PRO A 17 1.672 3.905 2.351 1.00 96.02 C +ATOM 99 CG PRO A 17 3.030 3.757 1.758 1.00 95.32 C +ATOM 100 CD PRO A 17 3.380 2.311 1.993 1.00 96.95 C +ATOM 101 N GLU A 18 -1.043 3.119 0.703 1.00 97.02 N +ATOM 102 CA GLU A 18 -1.837 3.329 -0.498 1.00 96.64 C +ATOM 103 C GLU A 18 -1.236 4.490 -1.275 1.00 96.58 C +ATOM 104 O GLU A 18 -0.749 5.456 -0.697 1.00 95.49 O +ATOM 105 CB GLU A 18 -3.290 3.635 -0.120 1.00 94.82 C +ATOM 106 CG GLU A 18 -4.223 3.766 -1.319 1.00 86.55 C +ATOM 107 CD GLU A 18 -5.683 3.932 -0.914 1.00 82.23 C +ATOM 108 OE1 GLU A 18 -6.000 3.688 0.262 1.00 81.23 O +ATOM 109 OE2 GLU A 18 -6.491 4.301 -1.772 1.00 79.65 O +ATOM 110 N GLY A 19 -1.255 4.378 -2.612 1.00 97.29 N +ATOM 111 CA GLY A 19 -0.696 5.419 -3.456 1.00 96.67 C +ATOM 112 C GLY A 19 -1.480 6.716 -3.364 1.00 97.11 C +ATOM 113 O GLY A 19 -2.592 6.743 -2.833 1.00 97.24 O +ATOM 114 N PRO A 20 -0.918 7.818 -3.888 1.00 97.33 N +ATOM 115 CA PRO A 20 -1.595 9.112 -3.838 1.00 97.19 C +ATOM 116 C PRO A 20 -2.804 9.138 -4.765 1.00 97.42 C +ATOM 117 O PRO A 20 -2.869 8.386 -5.734 1.00 97.24 O +ATOM 118 CB PRO A 20 -0.516 10.094 -4.298 1.00 95.67 C +ATOM 119 CG PRO A 20 0.336 9.274 -5.208 1.00 94.75 C +ATOM 120 CD PRO A 20 0.396 7.926 -4.532 1.00 96.66 C +HETATM 121 N HYP A 21 -3.754 10.013 -4.491 1.00 96.56 N +HETATM 122 CA HYP A 21 -4.898 10.196 -5.331 1.00 96.47 C +HETATM 123 C HYP A 21 -4.516 10.617 -6.746 1.00 95.96 C +HETATM 124 O HYP A 21 -3.457 11.273 -6.924 1.00 95.27 O +HETATM 125 CB HYP A 21 -5.679 11.327 -4.613 1.00 93.87 C +HETATM 126 CG HYP A 21 -5.252 11.194 -3.173 1.00 93.13 C +HETATM 127 CD HYP A 21 -3.814 10.795 -3.273 1.00 95.79 C +HETATM 128 OD1 HYP A 21 -5.982 10.199 -2.492 1.00 93.46 O +ATOM 129 N GLY A 22 -5.298 10.214 -7.723 1.00 97.03 N +ATOM 130 CA GLY A 22 -5.031 10.611 -9.081 1.00 96.56 C +ATOM 131 C GLY A 22 -5.285 12.099 -9.257 1.00 97.02 C +ATOM 132 O GLY A 22 -5.810 12.761 -8.358 1.00 97.12 O +ATOM 133 N PRO A 23 -4.925 12.657 -10.431 1.00 96.94 N +ATOM 134 CA PRO A 23 -5.120 14.084 -10.681 1.00 96.75 C +ATOM 135 C PRO A 23 -6.599 14.427 -10.825 1.00 96.82 C +ATOM 136 O PRO A 23 -7.409 13.597 -11.204 1.00 96.33 O +ATOM 137 CB PRO A 23 -4.360 14.320 -11.986 1.00 95.02 C +ATOM 138 CG PRO A 23 -4.441 13.004 -12.672 1.00 93.60 C +ATOM 139 CD PRO A 23 -4.290 11.989 -11.565 1.00 96.32 C +HETATM 140 N HYP A 24 -6.955 15.668 -10.562 1.00 95.37 N +HETATM 141 CA HYP A 24 -8.317 16.137 -10.719 1.00 96.26 C +HETATM 142 C HYP A 24 -8.752 16.082 -12.195 1.00 94.58 C +HETATM 143 O HYP A 24 -7.917 16.230 -13.108 1.00 95.24 O +HETATM 144 CB HYP A 24 -8.236 17.621 -10.255 1.00 93.21 C +HETATM 145 CG HYP A 24 -7.089 17.644 -9.311 1.00 91.34 C +HETATM 146 CD HYP A 24 -6.104 16.664 -9.917 1.00 94.28 C +HETATM 147 OD1 HYP A 24 -7.443 17.216 -8.023 1.00 91.90 O +ATOM 148 N GLY A 25 -10.038 15.867 -12.399 1.00 94.84 N +ATOM 149 CA GLY A 25 -10.561 15.845 -13.744 1.00 94.18 C +ATOM 150 C GLY A 25 -10.523 17.237 -14.355 1.00 94.63 C +ATOM 151 O GLY A 25 -10.248 18.224 -13.666 1.00 94.55 O +ATOM 152 N PRO A 26 -10.813 17.359 -15.665 1.00 95.83 N +ATOM 153 CA PRO A 26 -10.780 18.650 -16.334 1.00 95.46 C +ATOM 154 C PRO A 26 -11.928 19.537 -15.887 1.00 95.30 C +ATOM 155 O PRO A 26 -12.964 19.056 -15.430 1.00 94.59 O +ATOM 156 CB PRO A 26 -10.892 18.276 -17.814 1.00 93.13 C +ATOM 157 CG PRO A 26 -11.668 17.008 -17.788 1.00 91.38 C +ATOM 158 CD PRO A 26 -11.141 16.274 -16.582 1.00 94.97 C +HETATM 159 N HYP A 27 -11.779 20.851 -16.071 1.00 95.15 N +HETATM 160 CA HYP A 27 -12.835 21.781 -15.708 1.00 94.45 C +HETATM 161 C HYP A 27 -14.063 21.586 -16.603 1.00 94.97 C +HETATM 162 O HYP A 27 -13.972 21.188 -17.763 1.00 95.07 O +HETATM 163 CB HYP A 27 -12.179 23.156 -16.099 1.00 93.47 C +HETATM 164 CG HYP A 27 -10.688 22.932 -15.984 1.00 91.82 C +HETATM 165 CD HYP A 27 -10.518 21.492 -16.470 1.00 94.04 C +HETATM 166 OD1 HYP A 27 -10.222 23.019 -14.645 1.00 90.47 O +ATOM 167 N GLY A 28 -15.233 21.828 -16.019 1.00 92.93 N +ATOM 168 CA GLY A 28 -16.454 21.714 -16.768 1.00 92.88 C +ATOM 169 C GLY A 28 -16.565 22.829 -17.801 1.00 93.81 C +ATOM 170 O GLY A 28 -15.771 23.776 -17.792 1.00 93.94 O +ATOM 171 N PRO A 29 -17.549 22.761 -18.703 1.00 93.40 N +ATOM 172 CA PRO A 29 -17.715 23.787 -19.730 1.00 93.26 C +ATOM 173 C PRO A 29 -18.202 25.092 -19.119 1.00 92.82 C +ATOM 174 O PRO A 29 -18.780 25.108 -18.032 1.00 91.31 O +ATOM 175 CB PRO A 29 -18.750 23.177 -20.667 1.00 89.62 C +ATOM 176 CG PRO A 29 -19.553 22.311 -19.764 1.00 87.26 C +ATOM 177 CD PRO A 29 -18.540 21.699 -18.826 1.00 91.79 C +HETATM 178 N HYP A 30 -18.004 26.231 -19.838 1.00 89.96 N +HETATM 179 CA HYP A 30 -18.462 27.508 -19.337 1.00 92.19 C +HETATM 180 C HYP A 30 -19.948 27.562 -19.222 1.00 87.65 C +HETATM 181 O HYP A 30 -20.665 26.996 -20.019 1.00 87.53 O +HETATM 182 CB HYP A 30 -17.967 28.498 -20.468 1.00 88.87 C +HETATM 183 CG HYP A 30 -16.812 27.811 -21.149 1.00 85.47 C +HETATM 184 CD HYP A 30 -17.194 26.308 -21.072 1.00 88.97 C +HETATM 185 OD1 HYP A 30 -15.593 27.981 -20.420 1.00 88.21 O +ATOM 186 N GLY A 31 -20.451 28.263 -18.137 1.00 87.67 N +ATOM 187 CA GLY A 31 -21.867 28.380 -17.886 1.00 84.85 C +ATOM 188 C GLY A 31 -22.552 29.176 -18.989 1.00 82.30 C +ATOM 189 O GLY A 31 -21.904 29.903 -19.742 1.00 77.46 O +ATOM 190 N VAL A 32 -23.901 29.056 -19.077 1.00 92.70 N +ATOM 191 CA VAL A 32 -24.704 29.773 -20.063 1.00 90.90 C +ATOM 192 C VAL A 32 -25.938 30.398 -19.411 1.00 87.47 C +ATOM 193 O VAL A 32 -26.528 31.306 -19.998 1.00 83.18 O +ATOM 194 CB VAL A 32 -25.140 28.845 -21.219 1.00 82.50 C +ATOM 195 CG1 VAL A 32 -23.931 28.416 -22.019 1.00 72.47 C +ATOM 196 CG2 VAL A 32 -25.875 27.627 -20.676 1.00 76.02 C +ATOM 197 OXT VAL A 32 -26.319 30.003 -18.306 1.00 72.97 O +TER 198 VAL A 32 +END diff --git a/protein_pdb_579.txt b/protein_pdb_579.txt new file mode 100644 index 0000000000000000000000000000000000000000..cfbfc6fae2f88d3348683ca810c349154ee1b462 --- /dev/null +++ b/protein_pdb_579.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 6.160 -15.445 -0.131 1.00 95.34 N +ATOM 2 CA GLY A 1 6.232 -14.612 -1.282 1.00 95.34 C +ATOM 3 C GLY A 1 6.676 -13.191 -1.000 1.00 95.92 C +ATOM 4 O GLY A 1 6.766 -12.779 0.158 1.00 95.02 O +ATOM 5 N PRO A 2 6.921 -12.454 -2.024 1.00 95.73 N +ATOM 6 CA PRO A 2 7.365 -11.071 -1.897 1.00 95.69 C +ATOM 7 C PRO A 2 6.207 -10.139 -1.567 1.00 95.91 C +ATOM 8 O PRO A 2 5.042 -10.512 -1.658 1.00 95.18 O +ATOM 9 CB PRO A 2 7.946 -10.776 -3.271 1.00 94.00 C +ATOM 10 CG PRO A 2 7.120 -11.624 -4.184 1.00 91.15 C +ATOM 11 CD PRO A 2 6.840 -12.881 -3.409 1.00 93.73 C +HETATM 12 N HYP A 3 6.577 -8.897 -1.187 1.00 93.95 N +HETATM 13 CA HYP A 3 5.540 -7.911 -0.930 1.00 94.35 C +HETATM 14 C HYP A 3 4.695 -7.620 -2.165 1.00 95.19 C +HETATM 15 O HYP A 3 5.224 -7.698 -3.292 1.00 95.45 O +HETATM 16 CB HYP A 3 6.389 -6.640 -0.571 1.00 91.22 C +HETATM 17 CG HYP A 3 7.682 -7.197 -0.036 1.00 89.96 C +HETATM 18 CD HYP A 3 7.894 -8.451 -0.915 1.00 92.17 C +HETATM 19 OD1 HYP A 3 7.475 -7.591 1.288 1.00 91.26 O +ATOM 20 N GLY A 4 3.440 -7.341 -1.929 1.00 94.70 N +ATOM 21 CA GLY A 4 2.556 -6.996 -3.007 1.00 94.18 C +ATOM 22 C GLY A 4 2.894 -5.633 -3.576 1.00 94.51 C +ATOM 23 O GLY A 4 3.690 -4.886 -3.003 1.00 94.97 O +ATOM 24 N PRO A 5 2.293 -5.284 -4.715 1.00 95.40 N +ATOM 25 CA PRO A 5 2.562 -3.997 -5.341 1.00 95.16 C +ATOM 26 C PRO A 5 1.972 -2.844 -4.540 1.00 95.34 C +ATOM 27 O PRO A 5 1.063 -3.034 -3.740 1.00 94.91 O +ATOM 28 CB PRO A 5 1.896 -4.122 -6.711 1.00 93.80 C +ATOM 29 CG PRO A 5 0.786 -5.086 -6.469 1.00 91.79 C +ATOM 30 CD PRO A 5 1.321 -6.062 -5.463 1.00 94.19 C +HETATM 31 N HYP A 6 2.544 -1.614 -4.762 1.00 94.86 N +HETATM 32 CA HYP A 6 1.956 -0.458 -4.148 1.00 96.26 C +HETATM 33 C HYP A 6 0.513 -0.246 -4.534 1.00 95.79 C +HETATM 34 O HYP A 6 0.130 -0.597 -5.687 1.00 95.25 O +HETATM 35 CB HYP A 6 2.831 0.695 -4.727 1.00 93.98 C +HETATM 36 CG HYP A 6 4.144 0.031 -5.001 1.00 93.38 C +HETATM 37 CD HYP A 6 3.722 -1.323 -5.499 1.00 94.75 C +HETATM 38 OD1 HYP A 6 4.848 -0.100 -3.794 1.00 91.76 O +ATOM 39 N GLY A 7 -0.266 0.266 -3.648 1.00 95.00 N +ATOM 40 CA GLY A 7 -1.634 0.585 -3.937 1.00 94.56 C +ATOM 41 C GLY A 7 -1.722 1.713 -4.942 1.00 95.12 C +ATOM 42 O GLY A 7 -0.746 2.413 -5.194 1.00 94.98 O +ATOM 43 N PRO A 8 -2.894 1.905 -5.533 1.00 96.10 N +ATOM 44 CA PRO A 8 -3.068 2.963 -6.513 1.00 96.06 C +ATOM 45 C PRO A 8 -3.069 4.336 -5.860 1.00 96.23 C +ATOM 46 O PRO A 8 -3.338 4.482 -4.666 1.00 95.69 O +ATOM 47 CB PRO A 8 -4.413 2.647 -7.147 1.00 94.69 C +ATOM 48 CG PRO A 8 -5.150 1.940 -6.067 1.00 93.15 C +ATOM 49 CD PRO A 8 -4.108 1.142 -5.330 1.00 95.16 C +HETATM 50 N HYP A 9 -2.762 5.380 -6.688 1.00 94.55 N +HETATM 51 CA HYP A 9 -2.810 6.711 -6.172 1.00 95.79 C +HETATM 52 C HYP A 9 -4.239 7.131 -5.852 1.00 94.45 C +HETATM 53 O HYP A 9 -5.199 6.701 -6.517 1.00 94.57 O +HETATM 54 CB HYP A 9 -2.416 7.578 -7.427 1.00 93.07 C +HETATM 55 CG HYP A 9 -1.689 6.669 -8.291 1.00 92.71 C +HETATM 56 CD HYP A 9 -2.320 5.327 -8.074 1.00 93.49 C +HETATM 57 OD1 HYP A 9 -0.358 6.623 -7.830 1.00 91.93 O +ATOM 58 N GLY A 10 -4.440 7.931 -4.840 1.00 94.66 N +ATOM 59 CA GLY A 10 -5.712 8.564 -4.601 1.00 93.69 C +ATOM 60 C GLY A 10 -5.830 9.776 -5.501 1.00 94.01 C +ATOM 61 O GLY A 10 -4.997 10.015 -6.368 1.00 92.68 O +ATOM 62 N TRP A 11 -6.871 10.553 -5.298 1.00 95.01 N +ATOM 63 CA TRP A 11 -7.026 11.780 -6.070 1.00 95.08 C +ATOM 64 C TRP A 11 -5.924 12.758 -5.677 1.00 95.01 C +ATOM 65 O TRP A 11 -6.056 13.481 -4.687 1.00 93.63 O +ATOM 66 CB TRP A 11 -8.397 12.395 -5.826 1.00 94.15 C +ATOM 67 CG TRP A 11 -9.499 11.666 -6.536 1.00 90.10 C +ATOM 68 CD1 TRP A 11 -10.380 10.785 -6.006 1.00 89.43 C +ATOM 69 CD2 TRP A 11 -9.821 11.758 -7.940 1.00 89.88 C +ATOM 70 NE1 TRP A 11 -11.233 10.326 -6.973 1.00 85.27 N +ATOM 71 CE2 TRP A 11 -10.916 10.898 -8.165 1.00 88.97 C +ATOM 72 CE3 TRP A 11 -9.286 12.490 -9.000 1.00 86.94 C +ATOM 73 CZ2 TRP A 11 -11.491 10.753 -9.430 1.00 89.82 C +ATOM 74 CZ3 TRP A 11 -9.859 12.339 -10.253 1.00 83.62 C +ATOM 75 CH2 TRP A 11 -10.938 11.488 -10.467 1.00 82.29 C +ATOM 76 N GLY A 12 -4.840 12.736 -6.444 1.00 95.19 N +ATOM 77 CA GLY A 12 -3.668 13.532 -6.126 1.00 94.71 C +ATOM 78 C GLY A 12 -2.850 12.951 -5.004 1.00 95.87 C +ATOM 79 O GLY A 12 -1.860 13.548 -4.584 1.00 93.23 O +ATOM 80 N GLY A 13 -3.235 11.787 -4.518 1.00 95.80 N +ATOM 81 CA GLY A 13 -2.548 11.160 -3.410 1.00 95.34 C +ATOM 82 C GLY A 13 -1.459 10.210 -3.863 1.00 95.95 C +ATOM 83 O GLY A 13 -1.389 9.837 -5.037 1.00 95.51 O +ATOM 84 N PRO A 14 -0.598 9.814 -2.941 1.00 97.02 N +ATOM 85 CA PRO A 14 0.497 8.914 -3.258 1.00 96.85 C +ATOM 86 C PRO A 14 0.025 7.475 -3.400 1.00 97.02 C +ATOM 87 O PRO A 14 -1.079 7.126 -2.985 1.00 96.35 O +ATOM 88 CB PRO A 14 1.437 9.070 -2.058 1.00 95.77 C +ATOM 89 CG PRO A 14 0.508 9.356 -0.934 1.00 94.01 C +ATOM 90 CD PRO A 14 -0.588 10.205 -1.528 1.00 95.68 C +HETATM 91 N HYP A 15 0.893 6.661 -3.993 1.00 95.95 N +HETATM 92 CA HYP A 15 0.614 5.244 -4.023 1.00 97.05 C +HETATM 93 C HYP A 15 0.493 4.655 -2.636 1.00 96.77 C +HETATM 94 O HYP A 15 1.177 5.139 -1.697 1.00 96.26 O +HETATM 95 CB HYP A 15 1.918 4.696 -4.706 1.00 94.44 C +HETATM 96 CG HYP A 15 2.393 5.847 -5.553 1.00 93.42 C +HETATM 97 CD HYP A 15 2.089 7.054 -4.697 1.00 94.93 C +HETATM 98 OD1 HYP A 15 1.676 5.887 -6.744 1.00 92.77 O +ATOM 99 N GLY A 16 -0.348 3.680 -2.514 1.00 96.82 N +ATOM 100 CA GLY A 16 -0.458 2.993 -1.261 1.00 96.65 C +ATOM 101 C GLY A 16 0.802 2.207 -0.968 1.00 96.94 C +ATOM 102 O GLY A 16 1.671 2.052 -1.826 1.00 96.71 O +ATOM 103 N PRO A 17 0.914 1.703 0.250 1.00 96.43 N +ATOM 104 CA PRO A 17 2.088 0.934 0.625 1.00 96.38 C +ATOM 105 C PRO A 17 2.097 -0.426 -0.056 1.00 96.63 C +ATOM 106 O PRO A 17 1.073 -0.903 -0.527 1.00 95.83 O +ATOM 107 CB PRO A 17 1.953 0.805 2.140 1.00 95.05 C +ATOM 108 CG PRO A 17 0.486 0.867 2.370 1.00 92.95 C +ATOM 109 CD PRO A 17 -0.044 1.831 1.342 1.00 95.16 C +HETATM 110 N HYP A 18 3.308 -1.044 -0.115 1.00 94.18 N +HETATM 111 CA HYP A 18 3.375 -2.384 -0.609 1.00 95.49 C +HETATM 112 C HYP A 18 2.508 -3.341 0.161 1.00 94.39 C +HETATM 113 O HYP A 18 2.314 -3.158 1.381 1.00 94.66 O +HETATM 114 CB HYP A 18 4.881 -2.722 -0.386 1.00 91.40 C +HETATM 115 CG HYP A 18 5.590 -1.397 -0.446 1.00 91.40 C +HETATM 116 CD HYP A 18 4.581 -0.471 0.213 1.00 93.97 C +HETATM 117 OD1 HYP A 18 5.747 -1.022 -1.796 1.00 91.85 O +ATOM 118 N GLY A 19 1.970 -4.300 -0.511 1.00 94.33 N +ATOM 119 CA GLY A 19 1.199 -5.314 0.145 1.00 93.99 C +ATOM 120 C GLY A 19 2.079 -6.146 1.053 1.00 94.20 C +ATOM 121 O GLY A 19 3.306 -6.064 1.001 1.00 94.70 O +ATOM 122 N PRO A 20 1.465 -6.967 1.889 1.00 94.82 N +ATOM 123 CA PRO A 20 2.233 -7.807 2.791 1.00 94.79 C +ATOM 124 C PRO A 20 2.939 -8.920 2.044 1.00 94.80 C +ATOM 125 O PRO A 20 2.590 -9.240 0.910 1.00 94.71 O +ATOM 126 CB PRO A 20 1.172 -8.358 3.740 1.00 93.23 C +ATOM 127 CG PRO A 20 -0.068 -8.359 2.914 1.00 90.65 C +ATOM 128 CD PRO A 20 0.033 -7.151 2.032 1.00 92.96 C +HETATM 129 N HYP A 21 3.976 -9.505 2.699 1.00 94.65 N +HETATM 130 CA HYP A 21 4.620 -10.642 2.106 1.00 95.59 C +HETATM 131 C HYP A 21 3.655 -11.777 1.830 1.00 95.08 C +HETATM 132 O HYP A 21 2.736 -11.989 2.644 1.00 95.43 O +HETATM 133 CB HYP A 21 5.655 -11.088 3.150 1.00 93.87 C +HETATM 134 CG HYP A 21 5.953 -9.844 3.928 1.00 90.26 C +HETATM 135 CD HYP A 21 4.607 -9.123 3.956 1.00 93.26 C +HETATM 136 OD1 HYP A 21 6.877 -9.055 3.192 1.00 90.52 O +ATOM 137 N GLY A 22 3.821 -12.436 0.723 1.00 95.14 N +ATOM 138 CA GLY A 22 3.007 -13.575 0.412 1.00 93.96 C +ATOM 139 C GLY A 22 3.372 -14.736 1.330 1.00 94.10 C +ATOM 140 O GLY A 22 4.351 -14.673 2.065 1.00 93.72 O +ATOM 141 N PRO A 23 2.612 -15.831 1.284 1.00 96.64 N +ATOM 142 CA PRO A 23 2.925 -17.001 2.092 1.00 96.27 C +ATOM 143 C PRO A 23 4.225 -17.622 1.610 1.00 95.70 C +ATOM 144 O PRO A 23 4.242 -18.267 0.562 1.00 93.72 O +ATOM 145 CB PRO A 23 1.744 -17.933 1.860 1.00 94.38 C +ATOM 146 CG PRO A 23 0.690 -17.069 1.266 1.00 92.00 C +ATOM 147 CD PRO A 23 1.414 -16.003 0.512 1.00 94.98 C +HETATM 148 N HYP A 24 5.319 -17.380 2.207 1.00 96.75 N +HETATM 149 CA HYP A 24 6.682 -17.445 1.624 1.00 94.44 C +HETATM 150 C HYP A 24 6.997 -16.738 0.473 1.00 96.87 C +HETATM 151 O HYP A 24 8.234 -16.450 0.150 1.00 95.11 O +HETATM 152 CB HYP A 24 7.607 -17.807 2.679 1.00 92.73 C +HETATM 153 CG HYP A 24 6.710 -18.545 3.691 1.00 93.30 C +HETATM 154 CD HYP A 24 5.267 -18.053 3.394 1.00 95.08 C +HETATM 155 OD1 HYP A 24 7.056 -18.207 5.014 1.00 92.86 O +HETATM 156 OXT HYP A 24 6.934 -17.374 -0.630 1.00 91.40 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_58.txt b/protein_pdb_58.txt new file mode 100644 index 0000000000000000000000000000000000000000..40e15a2a905ea8d43ecc40d29b9b600daa43abec --- /dev/null +++ b/protein_pdb_58.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 24.952 -24.347 -4.702 1.00 94.20 N +ATOM 2 CA GLY A 1 25.245 -22.918 -4.657 1.00 95.52 C +ATOM 3 C GLY A 1 24.316 -22.193 -3.712 1.00 95.81 C +ATOM 4 O GLY A 1 23.330 -22.767 -3.249 1.00 94.73 O +ATOM 5 N PRO A 2 24.586 -20.929 -3.402 1.00 96.40 N +ATOM 6 CA PRO A 2 23.733 -20.164 -2.491 1.00 96.88 C +ATOM 7 C PRO A 2 22.388 -19.837 -3.123 1.00 96.94 C +ATOM 8 O PRO A 2 22.261 -19.775 -4.340 1.00 96.43 O +ATOM 9 CB PRO A 2 24.543 -18.892 -2.214 1.00 95.55 C +ATOM 10 CG PRO A 2 25.373 -18.733 -3.437 1.00 93.05 C +ATOM 11 CD PRO A 2 25.724 -20.136 -3.872 1.00 94.92 C +HETATM 12 N HYP A 3 21.456 -19.678 -2.345 1.00 96.08 N +HETATM 13 CA HYP A 3 20.067 -19.241 -2.761 1.00 94.48 C +HETATM 14 C HYP A 3 20.067 -17.890 -3.467 1.00 94.37 C +HETATM 15 O HYP A 3 20.887 -17.006 -3.172 1.00 95.73 O +HETATM 16 CB HYP A 3 19.364 -19.155 -1.417 1.00 93.79 C +HETATM 17 CG HYP A 3 20.152 -20.030 -0.444 1.00 92.48 C +HETATM 18 CD HYP A 3 21.593 -19.828 -0.912 1.00 95.39 C +HETATM 19 OD1 HYP A 3 19.811 -21.384 -0.567 1.00 93.89 O +ATOM 20 N GLY A 4 19.130 -17.705 -4.389 1.00 96.02 N +ATOM 21 CA GLY A 4 18.986 -16.442 -5.069 1.00 95.48 C +ATOM 22 C GLY A 4 18.344 -15.404 -4.159 1.00 95.70 C +ATOM 23 O GLY A 4 17.847 -15.737 -3.074 1.00 95.79 O +ATOM 24 N PRO A 5 18.330 -14.140 -4.584 1.00 96.01 N +ATOM 25 CA PRO A 5 17.740 -13.081 -3.765 1.00 96.08 C +ATOM 26 C PRO A 5 16.223 -13.174 -3.732 1.00 96.13 C +ATOM 27 O PRO A 5 15.605 -13.734 -4.629 1.00 96.06 O +ATOM 28 CB PRO A 5 18.213 -11.797 -4.447 1.00 94.63 C +ATOM 29 CG PRO A 5 18.362 -12.201 -5.878 1.00 92.58 C +ATOM 30 CD PRO A 5 18.878 -13.621 -5.830 1.00 94.71 C +HETATM 31 N HYP A 6 15.646 -12.624 -2.700 1.00 94.05 N +HETATM 32 CA HYP A 6 14.158 -12.509 -2.605 1.00 95.29 C +HETATM 33 C HYP A 6 13.584 -11.692 -3.737 1.00 92.49 C +HETATM 34 O HYP A 6 14.254 -10.759 -4.260 1.00 93.64 O +HETATM 35 CB HYP A 6 13.965 -11.792 -1.257 1.00 90.29 C +HETATM 36 CG HYP A 6 15.205 -12.065 -0.434 1.00 88.98 C +HETATM 37 CD HYP A 6 16.279 -12.114 -1.499 1.00 92.17 C +HETATM 38 OD1 HYP A 6 15.125 -13.313 0.217 1.00 92.04 O +ATOM 39 N GLY A 7 12.341 -11.989 -4.148 1.00 96.51 N +ATOM 40 CA GLY A 7 11.663 -11.243 -5.182 1.00 95.99 C +ATOM 41 C GLY A 7 11.292 -9.841 -4.702 1.00 96.12 C +ATOM 42 O GLY A 7 11.406 -9.527 -3.520 1.00 95.89 O +ATOM 43 N PRO A 8 10.823 -8.993 -5.625 1.00 95.42 N +ATOM 44 CA PRO A 8 10.445 -7.633 -5.259 1.00 95.16 C +ATOM 45 C PRO A 8 9.180 -7.601 -4.416 1.00 94.84 C +ATOM 46 O PRO A 8 8.368 -8.517 -4.463 1.00 94.46 O +ATOM 47 CB PRO A 8 10.245 -6.939 -6.604 1.00 93.84 C +ATOM 48 CG PRO A 8 9.843 -8.054 -7.514 1.00 93.01 C +ATOM 49 CD PRO A 8 10.643 -9.249 -7.046 1.00 94.69 C +HETATM 50 N HYP A 9 8.973 -6.543 -3.656 1.00 91.67 N +HETATM 51 CA HYP A 9 7.772 -6.325 -2.869 1.00 93.18 C +HETATM 52 C HYP A 9 6.552 -6.210 -3.725 1.00 91.37 C +HETATM 53 O HYP A 9 6.601 -5.664 -4.860 1.00 93.01 O +HETATM 54 CB HYP A 9 8.060 -4.988 -2.134 1.00 91.41 C +HETATM 55 CG HYP A 9 9.540 -4.894 -2.091 1.00 89.30 C +HETATM 56 CD HYP A 9 9.953 -5.535 -3.374 1.00 91.49 C +HETATM 57 OD1 HYP A 9 10.054 -5.645 -1.000 1.00 88.59 O +ATOM 58 N GLY A 10 5.386 -6.664 -3.228 1.00 94.09 N +ATOM 59 CA GLY A 10 4.131 -6.568 -3.937 1.00 92.68 C +ATOM 60 C GLY A 10 3.647 -5.135 -4.058 1.00 92.71 C +ATOM 61 O GLY A 10 4.141 -4.226 -3.378 1.00 92.06 O +ATOM 62 N GLU A 11 2.645 -4.933 -4.933 1.00 94.51 N +ATOM 63 CA GLU A 11 2.066 -3.609 -5.158 1.00 94.84 C +ATOM 64 C GLU A 11 1.293 -3.154 -3.918 1.00 94.54 C +ATOM 65 O GLU A 11 0.628 -3.949 -3.253 1.00 91.71 O +ATOM 66 CB GLU A 11 1.119 -3.638 -6.358 1.00 92.10 C +ATOM 67 CG GLU A 11 1.822 -3.876 -7.687 1.00 85.10 C +ATOM 68 CD GLU A 11 2.330 -2.594 -8.329 1.00 81.12 C +ATOM 69 OE1 GLU A 11 1.960 -1.502 -7.866 1.00 76.10 O +ATOM 70 OE2 GLU A 11 3.082 -2.700 -9.312 1.00 76.04 O +ATOM 71 N ARG A 12 1.371 -1.858 -3.604 1.00 94.65 N +ATOM 72 CA ARG A 12 0.597 -1.301 -2.503 1.00 94.45 C +ATOM 73 C ARG A 12 -0.873 -1.285 -2.899 1.00 94.87 C +ATOM 74 O ARG A 12 -1.205 -1.035 -4.059 1.00 92.89 O +ATOM 75 CB ARG A 12 1.087 0.122 -2.179 1.00 90.91 C +ATOM 76 CG ARG A 12 0.427 0.706 -0.939 1.00 84.99 C +ATOM 77 CD ARG A 12 0.968 2.085 -0.628 1.00 82.33 C +ATOM 78 NE ARG A 12 0.449 2.597 0.645 1.00 77.16 N +ATOM 79 CZ ARG A 12 0.775 3.756 1.183 1.00 74.19 C +ATOM 80 NH1 ARG A 12 1.618 4.583 0.573 1.00 72.55 N +ATOM 81 NH2 ARG A 12 0.268 4.123 2.345 1.00 68.22 N +ATOM 82 N GLY A 13 -1.735 -1.571 -1.923 1.00 93.42 N +ATOM 83 CA GLY A 13 -3.163 -1.560 -2.186 1.00 92.44 C +ATOM 84 C GLY A 13 -3.680 -0.169 -2.500 1.00 93.13 C +ATOM 85 O GLY A 13 -2.971 0.822 -2.327 1.00 93.37 O +ATOM 86 N PRO A 14 -4.946 -0.067 -2.968 1.00 93.82 N +ATOM 87 CA PRO A 14 -5.526 1.239 -3.296 1.00 93.77 C +ATOM 88 C PRO A 14 -5.741 2.081 -2.051 1.00 93.51 C +ATOM 89 O PRO A 14 -5.838 1.560 -0.944 1.00 93.22 O +ATOM 90 CB PRO A 14 -6.846 0.880 -3.976 1.00 91.78 C +ATOM 91 CG PRO A 14 -7.201 -0.450 -3.407 1.00 89.90 C +ATOM 92 CD PRO A 14 -5.887 -1.159 -3.229 1.00 91.75 C +HETATM 93 N HYP A 15 -5.864 3.398 -2.217 1.00 87.29 N +HETATM 94 CA HYP A 15 -6.133 4.328 -1.157 1.00 86.97 C +HETATM 95 C HYP A 15 -7.470 4.041 -0.452 1.00 88.28 C +HETATM 96 O HYP A 15 -8.388 3.485 -1.101 1.00 87.45 O +HETATM 97 CB HYP A 15 -6.173 5.670 -1.896 1.00 86.43 C +HETATM 98 CG HYP A 15 -5.302 5.438 -3.106 1.00 84.59 C +HETATM 99 CD HYP A 15 -5.614 4.021 -3.462 1.00 87.54 C +HETATM 100 OD1 HYP A 15 -3.948 5.559 -2.774 1.00 86.63 O +ATOM 101 N GLY A 16 -7.562 4.324 0.797 1.00 95.50 N +ATOM 102 CA GLY A 16 -8.791 4.146 1.517 1.00 94.55 C +ATOM 103 C GLY A 16 -9.839 5.152 1.076 1.00 94.71 C +ATOM 104 O GLY A 16 -9.544 6.086 0.322 1.00 95.22 O +ATOM 105 N PRO A 17 -11.088 4.971 1.531 1.00 89.64 N +ATOM 106 CA PRO A 17 -12.166 5.882 1.151 1.00 90.09 C +ATOM 107 C PRO A 17 -11.999 7.250 1.786 1.00 90.03 C +ATOM 108 O PRO A 17 -11.350 7.396 2.812 1.00 91.50 O +ATOM 109 CB PRO A 17 -13.422 5.177 1.655 1.00 88.17 C +ATOM 110 CG PRO A 17 -12.936 4.388 2.814 1.00 85.96 C +ATOM 111 CD PRO A 17 -11.558 3.918 2.426 1.00 87.50 C +HETATM 112 N HYP A 18 -12.595 8.274 1.208 1.00 90.77 N +HETATM 113 CA HYP A 18 -12.620 9.615 1.756 1.00 92.98 C +HETATM 114 C HYP A 18 -13.335 9.679 3.109 1.00 89.06 C +HETATM 115 O HYP A 18 -14.205 8.827 3.412 1.00 94.15 O +HETATM 116 CB HYP A 18 -13.405 10.386 0.707 1.00 89.33 C +HETATM 117 CG HYP A 18 -13.241 9.635 -0.563 1.00 87.29 C +HETATM 118 CD HYP A 18 -13.179 8.214 -0.096 1.00 92.31 C +HETATM 119 OD1 HYP A 18 -12.047 9.979 -1.219 1.00 92.28 O +ATOM 120 N GLY A 19 -12.964 10.609 3.930 1.00 94.22 N +ATOM 121 CA GLY A 19 -13.612 10.800 5.201 1.00 93.55 C +ATOM 122 C GLY A 19 -15.039 11.295 5.021 1.00 93.51 C +ATOM 123 O GLY A 19 -15.458 11.625 3.910 1.00 93.56 O +ATOM 124 N PRO A 20 -15.805 11.359 6.112 1.00 92.30 N +ATOM 125 CA PRO A 20 -17.191 11.805 6.035 1.00 92.46 C +ATOM 126 C PRO A 20 -17.292 13.288 5.707 1.00 91.72 C +ATOM 127 O PRO A 20 -16.368 14.052 5.965 1.00 91.86 O +ATOM 128 CB PRO A 20 -17.741 11.494 7.433 1.00 90.24 C +ATOM 129 CG PRO A 20 -16.536 11.558 8.307 1.00 87.79 C +ATOM 130 CD PRO A 20 -15.418 10.999 7.474 1.00 90.00 C +HETATM 131 N HYP A 21 -18.411 13.726 5.183 1.00 94.66 N +HETATM 132 CA HYP A 21 -18.674 15.113 4.849 1.00 91.59 C +HETATM 133 C HYP A 21 -18.764 16.027 6.080 1.00 91.57 C +HETATM 134 O HYP A 21 -19.143 15.562 7.167 1.00 95.00 O +HETATM 135 CB HYP A 21 -20.110 15.055 4.223 1.00 91.33 C +HETATM 136 CG HYP A 21 -20.252 13.673 3.698 1.00 89.05 C +HETATM 137 CD HYP A 21 -19.478 12.851 4.701 1.00 93.15 C +HETATM 138 OD1 HYP A 21 -19.632 13.539 2.423 1.00 92.21 O +ATOM 139 N GLY A 22 -18.355 17.257 5.952 1.00 94.64 N +ATOM 140 CA GLY A 22 -18.460 18.210 7.021 1.00 94.27 C +ATOM 141 C GLY A 22 -19.911 18.551 7.298 1.00 94.52 C +ATOM 142 O GLY A 22 -20.814 18.101 6.578 1.00 93.60 O +ATOM 143 N PRO A 23 -20.188 19.371 8.312 1.00 94.70 N +ATOM 144 CA PRO A 23 -21.565 19.730 8.643 1.00 94.89 C +ATOM 145 C PRO A 23 -22.176 20.618 7.573 1.00 94.12 C +ATOM 146 O PRO A 23 -21.472 21.320 6.855 1.00 92.03 O +ATOM 147 CB PRO A 23 -21.426 20.466 9.976 1.00 92.50 C +ATOM 148 CG PRO A 23 -20.051 21.021 9.939 1.00 90.51 C +ATOM 149 CD PRO A 23 -19.227 19.988 9.215 1.00 92.82 C +HETATM 150 N HYP A 24 -23.530 20.693 7.474 1.00 94.79 N +HETATM 151 CA HYP A 24 -24.132 21.527 6.429 1.00 89.92 C +HETATM 152 C HYP A 24 -23.891 23.009 6.737 1.00 89.48 C +HETATM 153 O HYP A 24 -24.193 23.854 5.966 1.00 91.09 O +HETATM 154 CB HYP A 24 -25.681 21.267 6.641 1.00 91.77 C +HETATM 155 CG HYP A 24 -25.810 19.999 7.389 1.00 88.94 C +HETATM 156 CD HYP A 24 -24.528 19.929 8.231 1.00 93.14 C +HETATM 157 OD1 HYP A 24 -25.813 18.912 6.489 1.00 88.08 O +HETATM 158 OXT HYP A 24 -23.397 23.275 7.824 1.00 88.22 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_580.txt b/protein_pdb_580.txt new file mode 100644 index 0000000000000000000000000000000000000000..7a32c76155dfda31bcb90d7cd4155b8592daed5d --- /dev/null +++ b/protein_pdb_580.txt @@ -0,0 +1,176 @@ +ATOM 1 N GLY A 1 18.964 -30.745 -7.079 1.00 92.14 N +ATOM 2 CA GLY A 1 19.441 -29.431 -7.520 1.00 93.70 C +ATOM 3 C GLY A 1 19.123 -28.365 -6.505 1.00 93.54 C +ATOM 4 O GLY A 1 18.421 -28.626 -5.526 1.00 92.92 O +ATOM 5 N PRO A 2 19.611 -27.144 -6.696 1.00 95.30 N +ATOM 6 CA PRO A 2 19.349 -26.048 -5.755 1.00 95.78 C +ATOM 7 C PRO A 2 17.884 -25.619 -5.789 1.00 95.62 C +ATOM 8 O PRO A 2 17.197 -25.796 -6.790 1.00 95.45 O +ATOM 9 CB PRO A 2 20.271 -24.923 -6.232 1.00 94.79 C +ATOM 10 CG PRO A 2 20.435 -25.201 -7.690 1.00 92.80 C +ATOM 11 CD PRO A 2 20.463 -26.705 -7.801 1.00 94.09 C +HETATM 12 N HYP A 3 17.439 -25.131 -4.730 1.00 93.77 N +HETATM 13 CA HYP A 3 16.071 -24.565 -4.608 1.00 92.88 C +HETATM 14 C HYP A 3 15.763 -23.443 -5.605 1.00 90.29 C +HETATM 15 O HYP A 3 16.677 -22.668 -5.960 1.00 95.05 O +HETATM 16 CB HYP A 3 16.029 -24.043 -3.175 1.00 92.36 C +HETATM 17 CG HYP A 3 17.117 -24.784 -2.433 1.00 93.24 C +HETATM 18 CD HYP A 3 18.209 -24.966 -3.488 1.00 94.11 C +HETATM 19 OD1 HYP A 3 16.663 -26.055 -2.018 1.00 94.39 O +ATOM 20 N GLY A 4 14.519 -23.360 -6.050 1.00 95.50 N +ATOM 21 CA GLY A 4 14.119 -22.301 -6.940 1.00 94.88 C +ATOM 22 C GLY A 4 13.991 -20.980 -6.190 1.00 95.03 C +ATOM 23 O GLY A 4 14.054 -20.954 -4.957 1.00 95.60 O +ATOM 24 N PRO A 5 13.812 -19.881 -6.916 1.00 95.70 N +ATOM 25 CA PRO A 5 13.698 -18.572 -6.284 1.00 95.65 C +ATOM 26 C PRO A 5 12.388 -18.425 -5.517 1.00 95.63 C +ATOM 27 O PRO A 5 11.404 -19.094 -5.815 1.00 95.28 O +ATOM 28 CB PRO A 5 13.773 -17.602 -7.461 1.00 94.38 C +ATOM 29 CG PRO A 5 13.203 -18.391 -8.589 1.00 93.07 C +ATOM 30 CD PRO A 5 13.713 -19.801 -8.368 1.00 94.80 C +HETATM 31 N HYP A 6 12.374 -17.584 -4.537 1.00 94.75 N +HETATM 32 CA HYP A 6 11.152 -17.237 -3.787 1.00 93.85 C +HETATM 33 C HYP A 6 10.065 -16.664 -4.670 1.00 92.35 C +HETATM 34 O HYP A 6 10.368 -16.038 -5.713 1.00 94.41 O +HETATM 35 CB HYP A 6 11.673 -16.182 -2.769 1.00 93.04 C +HETATM 36 CG HYP A 6 13.127 -16.498 -2.571 1.00 93.08 C +HETATM 37 CD HYP A 6 13.557 -16.932 -3.967 1.00 93.96 C +HETATM 38 OD1 HYP A 6 13.319 -17.560 -1.664 1.00 92.79 O +ATOM 39 N GLY A 7 8.806 -16.857 -4.274 1.00 94.90 N +ATOM 40 CA GLY A 7 7.689 -16.330 -5.016 1.00 94.06 C +ATOM 41 C GLY A 7 7.639 -14.810 -4.964 1.00 93.87 C +ATOM 42 O GLY A 7 8.302 -14.171 -4.139 1.00 94.14 O +ATOM 43 N ARG A 8 6.822 -14.256 -5.843 1.00 93.99 N +ATOM 44 CA ARG A 8 6.643 -12.812 -5.936 1.00 93.67 C +ATOM 45 C ARG A 8 5.976 -12.280 -4.674 1.00 93.67 C +ATOM 46 O ARG A 8 5.059 -12.896 -4.153 1.00 94.46 O +ATOM 47 CB ARG A 8 5.794 -12.498 -7.159 1.00 92.05 C +ATOM 48 CG ARG A 8 5.612 -11.023 -7.442 1.00 87.61 C +ATOM 49 CD ARG A 8 4.813 -10.813 -8.706 1.00 84.58 C +ATOM 50 NE ARG A 8 5.508 -11.342 -9.871 1.00 81.95 N +ATOM 51 CZ ARG A 8 4.989 -11.430 -11.087 1.00 78.12 C +ATOM 52 NH1 ARG A 8 3.756 -11.016 -11.321 1.00 75.58 N +ATOM 53 NH2 ARG A 8 5.701 -11.931 -12.067 1.00 74.68 N +HETATM 54 N HYP A 9 6.402 -11.122 -4.188 1.00 92.38 N +HETATM 55 CA HYP A 9 5.766 -10.488 -3.042 1.00 89.23 C +HETATM 56 C HYP A 9 4.326 -10.155 -3.332 1.00 90.61 C +HETATM 57 O HYP A 9 3.967 -9.849 -4.480 1.00 91.34 O +HETATM 58 CB HYP A 9 6.610 -9.169 -2.824 1.00 88.46 C +HETATM 59 CG HYP A 9 7.949 -9.473 -3.394 1.00 89.78 C +HETATM 60 CD HYP A 9 7.639 -10.357 -4.568 1.00 90.17 C +HETATM 61 OD1 HYP A 9 8.711 -10.175 -2.456 1.00 89.68 O +ATOM 62 N GLY A 10 3.531 -10.074 -2.270 1.00 93.43 N +ATOM 63 CA GLY A 10 2.154 -9.655 -2.401 1.00 91.69 C +ATOM 64 C GLY A 10 2.073 -8.192 -2.799 1.00 90.88 C +ATOM 65 O GLY A 10 3.021 -7.424 -2.629 1.00 90.21 O +ATOM 66 N ARG A 11 0.903 -7.803 -3.335 1.00 92.76 N +ATOM 67 CA ARG A 11 0.694 -6.420 -3.756 1.00 92.01 C +ATOM 68 C ARG A 11 0.644 -5.499 -2.543 1.00 91.79 C +ATOM 69 O ARG A 11 0.043 -5.827 -1.528 1.00 90.75 O +ATOM 70 CB ARG A 11 -0.603 -6.305 -4.551 1.00 89.84 C +ATOM 71 CG ARG A 11 -0.567 -7.033 -5.880 1.00 83.82 C +ATOM 72 CD ARG A 11 -1.915 -6.970 -6.577 1.00 80.82 C +ATOM 73 NE ARG A 11 -2.307 -5.597 -6.890 1.00 76.97 N +ATOM 74 CZ ARG A 11 -3.440 -5.019 -6.514 1.00 73.47 C +ATOM 75 NH1 ARG A 11 -4.334 -5.671 -5.790 1.00 69.66 N +ATOM 76 NH2 ARG A 11 -3.691 -3.773 -6.852 1.00 67.72 N +ATOM 77 N LYS A 12 1.271 -4.319 -2.658 1.00 90.93 N +ATOM 78 CA LYS A 12 1.251 -3.336 -1.586 1.00 91.90 C +ATOM 79 C LYS A 12 -0.171 -2.788 -1.444 1.00 93.06 C +ATOM 80 O LYS A 12 -0.869 -2.590 -2.431 1.00 91.06 O +ATOM 81 CB LYS A 12 2.239 -2.202 -1.892 1.00 88.71 C +ATOM 82 CG LYS A 12 2.388 -1.184 -0.771 1.00 82.29 C +ATOM 83 CD LYS A 12 3.473 -0.169 -1.071 1.00 79.69 C +ATOM 84 CE LYS A 12 3.651 0.815 0.071 1.00 72.94 C +ATOM 85 NZ LYS A 12 4.753 1.767 -0.192 1.00 69.61 N +ATOM 86 N GLY A 13 -0.561 -2.573 -0.184 1.00 92.59 N +ATOM 87 CA GLY A 13 -1.892 -2.056 0.072 1.00 92.06 C +ATOM 88 C GLY A 13 -2.088 -0.663 -0.489 1.00 92.68 C +ATOM 89 O GLY A 13 -1.127 0.094 -0.670 1.00 92.30 O +ATOM 90 N ARG A 14 -3.361 -0.314 -0.769 1.00 92.58 N +ATOM 91 CA ARG A 14 -3.699 1.009 -1.284 1.00 93.29 C +ATOM 92 C ARG A 14 -3.556 2.049 -0.195 1.00 93.78 C +ATOM 93 O ARG A 14 -3.679 1.747 0.986 1.00 94.24 O +ATOM 94 CB ARG A 14 -5.127 1.019 -1.818 1.00 90.66 C +ATOM 95 CG ARG A 14 -5.363 0.059 -2.961 1.00 82.62 C +ATOM 96 CD ARG A 14 -6.705 0.338 -3.632 1.00 80.02 C +ATOM 97 NE ARG A 14 -7.830 0.229 -2.716 1.00 76.04 N +ATOM 98 CZ ARG A 14 -8.440 -0.902 -2.390 1.00 73.26 C +ATOM 99 NH1 ARG A 14 -8.044 -2.057 -2.889 1.00 70.57 N +ATOM 100 NH2 ARG A 14 -9.470 -0.882 -1.557 1.00 68.18 N +HETATM 101 N HYP A 15 -3.329 3.311 -0.593 1.00 89.69 N +HETATM 102 CA HYP A 15 -3.263 4.419 0.342 1.00 89.33 C +HETATM 103 C HYP A 15 -4.597 4.619 1.121 1.00 89.02 C +HETATM 104 O HYP A 15 -5.668 4.287 0.591 1.00 91.05 O +HETATM 105 CB HYP A 15 -2.950 5.620 -0.527 1.00 88.60 C +HETATM 106 CG HYP A 15 -2.225 4.989 -1.670 1.00 84.59 C +HETATM 107 CD HYP A 15 -2.948 3.687 -1.897 1.00 88.77 C +HETATM 108 OD1 HYP A 15 -0.890 4.718 -1.352 1.00 89.65 O +ATOM 109 N GLY A 16 -4.498 5.110 2.297 1.00 94.03 N +ATOM 110 CA GLY A 16 -5.671 5.365 3.080 1.00 92.97 C +ATOM 111 C GLY A 16 -6.472 6.536 2.533 1.00 93.52 C +ATOM 112 O GLY A 16 -6.001 7.263 1.656 1.00 95.10 O +ATOM 113 N PRO A 17 -7.690 6.745 3.059 1.00 94.61 N +ATOM 114 CA PRO A 17 -8.544 7.832 2.588 1.00 94.99 C +ATOM 115 C PRO A 17 -8.029 9.189 3.059 1.00 95.14 C +ATOM 116 O PRO A 17 -7.316 9.287 4.050 1.00 94.83 O +ATOM 117 CB PRO A 17 -9.892 7.509 3.202 1.00 93.30 C +ATOM 118 CG PRO A 17 -9.540 6.790 4.462 1.00 91.17 C +ATOM 119 CD PRO A 17 -8.341 5.956 4.092 1.00 93.16 C +HETATM 120 N HYP A 18 -8.398 10.244 2.372 1.00 93.39 N +HETATM 121 CA HYP A 18 -8.103 11.600 2.764 1.00 93.19 C +HETATM 122 C HYP A 18 -8.745 11.990 4.110 1.00 89.05 C +HETATM 123 O HYP A 18 -9.787 11.408 4.489 1.00 93.84 O +HETATM 124 CB HYP A 18 -8.691 12.424 1.615 1.00 92.71 C +HETATM 125 CG HYP A 18 -8.651 11.508 0.442 1.00 90.45 C +HETATM 126 CD HYP A 18 -8.961 10.171 1.052 1.00 92.98 C +HETATM 127 OD1 HYP A 18 -7.383 11.468 -0.153 1.00 93.62 O +ATOM 128 N GLY A 19 -8.148 12.908 4.794 1.00 95.91 N +ATOM 129 CA GLY A 19 -8.687 13.367 6.046 1.00 95.09 C +ATOM 130 C GLY A 19 -9.984 14.134 5.850 1.00 94.81 C +ATOM 131 O GLY A 19 -10.367 14.450 4.721 1.00 95.05 O +ATOM 132 N PRO A 20 -10.675 14.459 6.958 1.00 95.51 N +ATOM 133 CA PRO A 20 -11.939 15.173 6.879 1.00 95.08 C +ATOM 134 C PRO A 20 -11.749 16.618 6.445 1.00 94.92 C +ATOM 135 O PRO A 20 -10.676 17.196 6.630 1.00 94.18 O +ATOM 136 CB PRO A 20 -12.484 15.079 8.304 1.00 93.12 C +ATOM 137 CG PRO A 20 -11.255 14.988 9.135 1.00 90.10 C +ATOM 138 CD PRO A 20 -10.310 14.134 8.331 1.00 93.25 C +HETATM 139 N HYP A 21 -12.781 17.223 5.914 1.00 93.29 N +HETATM 140 CA HYP A 21 -12.784 18.627 5.506 1.00 91.55 C +HETATM 141 C HYP A 21 -12.636 19.582 6.695 1.00 91.37 C +HETATM 142 O HYP A 21 -13.016 19.228 7.828 1.00 94.88 O +HETATM 143 CB HYP A 21 -14.248 18.776 4.964 1.00 92.11 C +HETATM 144 CG HYP A 21 -14.652 17.424 4.510 1.00 92.31 C +HETATM 145 CD HYP A 21 -14.002 16.527 5.527 1.00 93.09 C +HETATM 146 OD1 HYP A 21 -14.117 17.137 3.240 1.00 93.07 O +ATOM 147 N GLY A 22 -12.067 20.761 6.457 1.00 93.80 N +ATOM 148 CA GLY A 22 -11.936 21.756 7.488 1.00 92.77 C +ATOM 149 C GLY A 22 -13.281 22.385 7.814 1.00 93.50 C +ATOM 150 O GLY A 22 -14.300 22.039 7.209 1.00 94.54 O +ATOM 151 N PRO A 23 -13.317 23.341 8.756 1.00 94.64 N +ATOM 152 CA PRO A 23 -14.566 23.984 9.138 1.00 94.55 C +ATOM 153 C PRO A 23 -15.126 24.835 8.008 1.00 94.83 C +ATOM 154 O PRO A 23 -14.380 25.366 7.186 1.00 94.46 O +ATOM 155 CB PRO A 23 -14.168 24.834 10.347 1.00 92.23 C +ATOM 156 CG PRO A 23 -12.722 25.109 10.129 1.00 88.92 C +ATOM 157 CD PRO A 23 -12.183 23.840 9.521 1.00 91.68 C +HETATM 158 N HYP A 24 -16.455 25.021 7.985 1.00 89.59 N +HETATM 159 CA HYP A 24 -17.144 25.791 6.969 1.00 91.08 C +HETATM 160 C HYP A 24 -16.883 27.252 7.045 1.00 88.16 C +HETATM 161 O HYP A 24 -16.794 27.797 8.191 1.00 95.18 O +HETATM 162 CB HYP A 24 -18.678 25.579 7.383 1.00 88.40 C +HETATM 163 CG HYP A 24 -18.706 24.277 8.020 1.00 89.75 C +HETATM 164 CD HYP A 24 -17.376 24.199 8.758 1.00 92.09 C +HETATM 165 OD1 HYP A 24 -18.768 23.258 7.061 1.00 92.07 O +ATOM 166 N GLY A 25 -16.724 27.905 5.878 1.00 91.86 N +ATOM 167 CA GLY A 25 -16.773 29.341 5.734 1.00 89.95 C +ATOM 168 C GLY A 25 -15.780 30.189 6.496 1.00 88.15 C +ATOM 169 O GLY A 25 -15.854 31.417 6.421 1.00 86.28 O +ATOM 170 N GLY A 26 -14.847 29.599 7.192 1.00 81.42 N +ATOM 171 CA GLY A 26 -13.908 30.398 7.955 1.00 75.11 C +ATOM 172 C GLY A 26 -12.714 29.642 8.497 1.00 71.04 C +ATOM 173 O GLY A 26 -11.919 30.248 9.245 1.00 66.98 O +ATOM 174 OXT GLY A 26 -12.562 28.440 8.217 1.00 65.50 O +TER 175 GLY A 26 +END diff --git a/protein_pdb_581.txt b/protein_pdb_581.txt new file mode 100644 index 0000000000000000000000000000000000000000..cc92b73b7820b115cb887fa146bcd9f9212dc345 --- /dev/null +++ b/protein_pdb_581.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 13.091 1.259 -9.809 1.00 94.30 N +ATOM 2 CA GLY A 1 12.228 2.259 -9.273 1.00 94.32 C +ATOM 3 C GLY A 1 12.000 2.147 -7.783 1.00 94.50 C +ATOM 4 O GLY A 1 12.269 1.114 -7.183 1.00 93.31 O +ATOM 5 N PRO A 2 11.504 3.160 -7.214 1.00 94.41 N +ATOM 6 CA PRO A 2 11.208 3.157 -5.790 1.00 94.38 C +ATOM 7 C PRO A 2 9.967 2.337 -5.492 1.00 94.34 C +ATOM 8 O PRO A 2 9.208 1.981 -6.389 1.00 93.91 O +ATOM 9 CB PRO A 2 10.984 4.638 -5.487 1.00 92.38 C +ATOM 10 CG PRO A 2 10.442 5.165 -6.767 1.00 89.00 C +ATOM 11 CD PRO A 2 11.198 4.443 -7.839 1.00 91.59 C +HETATM 12 N HYP A 3 9.780 2.037 -4.214 1.00 94.15 N +HETATM 13 CA HYP A 3 8.566 1.318 -3.843 1.00 93.27 C +HETATM 14 C HYP A 3 7.328 2.105 -4.179 1.00 92.57 C +HETATM 15 O HYP A 3 7.380 3.359 -4.192 1.00 94.79 O +HETATM 16 CB HYP A 3 8.729 1.214 -2.282 1.00 92.58 C +HETATM 17 CG HYP A 3 10.225 1.184 -2.071 1.00 90.58 C +HETATM 18 CD HYP A 3 10.704 2.201 -3.144 1.00 93.33 C +HETATM 19 OD1 HYP A 3 10.663 -0.090 -2.387 1.00 92.46 O +ATOM 20 N GLY A 4 6.297 1.375 -4.526 1.00 94.61 N +ATOM 21 CA GLY A 4 5.053 2.006 -4.846 1.00 93.96 C +ATOM 22 C GLY A 4 4.447 2.659 -3.618 1.00 94.72 C +ATOM 23 O GLY A 4 4.904 2.441 -2.498 1.00 95.22 O +ATOM 24 N PRO A 5 3.412 3.471 -3.811 1.00 95.21 N +ATOM 25 CA PRO A 5 2.767 4.134 -2.688 1.00 95.16 C +ATOM 26 C PRO A 5 1.980 3.154 -1.838 1.00 95.23 C +ATOM 27 O PRO A 5 1.649 2.062 -2.283 1.00 94.80 O +ATOM 28 CB PRO A 5 1.856 5.153 -3.362 1.00 93.88 C +ATOM 29 CG PRO A 5 1.519 4.502 -4.660 1.00 91.98 C +ATOM 30 CD PRO A 5 2.779 3.806 -5.081 1.00 94.57 C +HETATM 31 N HYP A 6 1.704 3.558 -0.610 1.00 95.89 N +HETATM 32 CA HYP A 6 0.870 2.736 0.242 1.00 96.07 C +HETATM 33 C HYP A 6 -0.500 2.537 -0.330 1.00 95.98 C +HETATM 34 O HYP A 6 -1.028 3.441 -1.042 1.00 94.59 O +HETATM 35 CB HYP A 6 0.772 3.614 1.524 1.00 93.49 C +HETATM 36 CG HYP A 6 2.040 4.412 1.502 1.00 92.13 C +HETATM 37 CD HYP A 6 2.196 4.741 0.029 1.00 94.19 C +HETATM 38 OD1 HYP A 6 3.099 3.588 1.925 1.00 92.79 O +ATOM 39 N GLY A 7 -1.050 1.385 -0.109 1.00 94.83 N +ATOM 40 CA GLY A 7 -2.374 1.098 -0.575 1.00 94.07 C +ATOM 41 C GLY A 7 -3.387 1.960 0.152 1.00 94.92 C +ATOM 42 O GLY A 7 -3.073 2.616 1.141 1.00 95.16 O +ATOM 43 N PRO A 8 -4.613 1.961 -0.327 1.00 95.63 N +ATOM 44 CA PRO A 8 -5.651 2.755 0.319 1.00 95.48 C +ATOM 45 C PRO A 8 -6.064 2.142 1.646 1.00 95.62 C +ATOM 46 O PRO A 8 -5.865 0.955 1.886 1.00 95.09 O +ATOM 47 CB PRO A 8 -6.796 2.716 -0.684 1.00 94.10 C +ATOM 48 CG PRO A 8 -6.604 1.415 -1.376 1.00 92.79 C +ATOM 49 CD PRO A 8 -5.109 1.252 -1.490 1.00 94.69 C +HETATM 50 N HYP A 9 -6.663 2.959 2.517 1.00 95.08 N +HETATM 51 CA HYP A 9 -7.147 2.468 3.741 1.00 94.29 C +HETATM 52 C HYP A 9 -8.321 1.516 3.526 1.00 95.29 C +HETATM 53 O HYP A 9 -9.093 1.687 2.573 1.00 94.00 O +HETATM 54 CB HYP A 9 -7.717 3.750 4.435 1.00 91.80 C +HETATM 55 CG HYP A 9 -6.941 4.849 3.825 1.00 90.72 C +HETATM 56 CD HYP A 9 -6.746 4.422 2.416 1.00 93.81 C +HETATM 57 OD1 HYP A 9 -5.699 4.929 4.464 1.00 90.36 O +ATOM 58 N GLY A 10 -8.443 0.505 4.333 1.00 94.46 N +ATOM 59 CA GLY A 10 -9.632 -0.308 4.328 1.00 92.89 C +ATOM 60 C GLY A 10 -10.775 0.523 4.876 1.00 93.49 C +ATOM 61 O GLY A 10 -10.588 1.659 5.311 1.00 92.50 O +ATOM 62 N MET A 11 -11.973 -0.045 4.877 1.00 96.14 N +ATOM 63 CA MET A 11 -13.128 0.697 5.378 1.00 96.29 C +ATOM 64 C MET A 11 -12.847 1.292 6.757 1.00 96.10 C +ATOM 65 O MET A 11 -13.178 2.448 7.023 1.00 94.66 O +ATOM 66 CB MET A 11 -14.343 -0.219 5.429 1.00 95.07 C +ATOM 67 CG MET A 11 -15.633 0.513 5.723 1.00 91.70 C +ATOM 68 SD MET A 11 -17.058 -0.564 5.655 1.00 87.51 S +ATOM 69 CE MET A 11 -17.058 -0.999 3.927 1.00 79.66 C +ATOM 70 N TRP A 12 -12.203 0.502 7.610 1.00 95.45 N +ATOM 71 CA TRP A 12 -11.822 0.948 8.950 1.00 95.42 C +ATOM 72 C TRP A 12 -10.380 0.592 9.262 1.00 95.02 C +ATOM 73 O TRP A 12 -9.982 0.627 10.423 1.00 93.29 O +ATOM 74 CB TRP A 12 -12.745 0.307 9.993 1.00 94.76 C +ATOM 75 CG TRP A 12 -14.191 0.540 9.726 1.00 91.00 C +ATOM 76 CD1 TRP A 12 -15.095 -0.362 9.255 1.00 90.54 C +ATOM 77 CD2 TRP A 12 -14.917 1.764 9.913 1.00 90.29 C +ATOM 78 NE1 TRP A 12 -16.334 0.219 9.128 1.00 84.20 N +ATOM 79 CE2 TRP A 12 -16.254 1.521 9.524 1.00 88.64 C +ATOM 80 CE3 TRP A 12 -14.562 3.038 10.364 1.00 86.09 C +ATOM 81 CZ2 TRP A 12 -17.234 2.520 9.580 1.00 89.54 C +ATOM 82 CZ3 TRP A 12 -15.529 4.007 10.419 1.00 83.39 C +ATOM 83 CH2 TRP A 12 -16.841 3.754 10.024 1.00 81.84 C +ATOM 84 N GLY A 13 -9.631 0.217 8.257 1.00 95.51 N +ATOM 85 CA GLY A 13 -8.305 -0.312 8.467 1.00 94.84 C +ATOM 86 C GLY A 13 -7.183 0.611 8.054 1.00 95.23 C +ATOM 87 O GLY A 13 -7.398 1.670 7.469 1.00 95.42 O +ATOM 88 N PRO A 14 -5.951 0.197 8.350 1.00 95.92 N +ATOM 89 CA PRO A 14 -4.775 0.981 8.005 1.00 95.65 C +ATOM 90 C PRO A 14 -4.515 0.931 6.508 1.00 95.71 C +ATOM 91 O PRO A 14 -5.073 0.111 5.795 1.00 95.13 O +ATOM 92 CB PRO A 14 -3.655 0.294 8.784 1.00 94.48 C +ATOM 93 CG PRO A 14 -4.092 -1.126 8.833 1.00 93.09 C +ATOM 94 CD PRO A 14 -5.583 -1.054 9.010 1.00 94.50 C +HETATM 95 N HYP A 15 -3.661 1.819 6.098 1.00 95.15 N +HETATM 96 CA HYP A 15 -3.238 1.777 4.715 1.00 95.65 C +HETATM 97 C HYP A 15 -2.588 0.491 4.349 1.00 96.05 C +HETATM 98 O HYP A 15 -1.993 -0.172 5.239 1.00 94.71 O +HETATM 99 CB HYP A 15 -2.212 2.953 4.729 1.00 92.87 C +HETATM 100 CG HYP A 15 -2.642 3.843 5.871 1.00 91.76 C +HETATM 101 CD HYP A 15 -3.129 2.872 6.911 1.00 94.16 C +HETATM 102 OD1 HYP A 15 -3.708 4.667 5.466 1.00 92.02 O +ATOM 103 N GLY A 16 -2.726 0.100 3.120 1.00 95.82 N +ATOM 104 CA GLY A 16 -2.087 -1.098 2.655 1.00 95.29 C +ATOM 105 C GLY A 16 -0.581 -0.924 2.642 1.00 95.82 C +ATOM 106 O GLY A 16 -0.073 0.185 2.817 1.00 95.84 O +ATOM 107 N PRO A 17 0.143 -2.025 2.435 1.00 95.34 N +ATOM 108 CA PRO A 17 1.596 -1.949 2.407 1.00 95.05 C +ATOM 109 C PRO A 17 2.083 -1.241 1.156 1.00 95.42 C +ATOM 110 O PRO A 17 1.358 -1.127 0.170 1.00 94.93 O +ATOM 111 CB PRO A 17 2.025 -3.411 2.429 1.00 93.93 C +ATOM 112 CG PRO A 17 0.895 -4.119 1.776 1.00 92.44 C +ATOM 113 CD PRO A 17 -0.336 -3.389 2.233 1.00 94.07 C +HETATM 114 N HYP A 18 3.318 -0.762 1.209 1.00 94.75 N +HETATM 115 CA HYP A 18 3.909 -0.185 0.056 1.00 94.39 C +HETATM 116 C HYP A 18 4.012 -1.144 -1.088 1.00 95.37 C +HETATM 117 O HYP A 18 4.174 -2.364 -0.862 1.00 94.06 O +HETATM 118 CB HYP A 18 5.322 0.180 0.551 1.00 91.99 C +HETATM 119 CG HYP A 18 5.148 0.384 2.037 1.00 91.73 C +HETATM 120 CD HYP A 18 4.135 -0.680 2.386 1.00 94.16 C +HETATM 121 OD1 HYP A 18 4.571 1.669 2.266 1.00 92.00 O +ATOM 122 N GLY A 19 3.889 -0.676 -2.293 1.00 93.73 N +ATOM 123 CA GLY A 19 4.023 -1.506 -3.457 1.00 93.38 C +ATOM 124 C GLY A 19 5.461 -1.948 -3.629 1.00 93.81 C +ATOM 125 O GLY A 19 6.367 -1.428 -2.981 1.00 94.61 O +ATOM 126 N PRO A 20 5.682 -2.918 -4.502 1.00 93.70 N +ATOM 127 CA PRO A 20 7.035 -3.400 -4.733 1.00 93.45 C +ATOM 128 C PRO A 20 7.855 -2.377 -5.501 1.00 93.54 C +ATOM 129 O PRO A 20 7.314 -1.466 -6.119 1.00 93.75 O +ATOM 130 CB PRO A 20 6.813 -4.669 -5.550 1.00 91.69 C +ATOM 131 CG PRO A 20 5.546 -4.390 -6.288 1.00 89.05 C +ATOM 132 CD PRO A 20 4.695 -3.610 -5.313 1.00 91.91 C +HETATM 133 N HYP A 21 9.175 -2.535 -5.424 1.00 93.88 N +HETATM 134 CA HYP A 21 10.025 -1.695 -6.205 1.00 93.17 C +HETATM 135 C HYP A 21 9.719 -1.732 -7.690 1.00 94.27 C +HETATM 136 O HYP A 21 9.359 -2.797 -8.203 1.00 94.50 O +HETATM 137 CB HYP A 21 11.429 -2.218 -5.940 1.00 91.31 C +HETATM 138 CG HYP A 21 11.343 -2.861 -4.593 1.00 88.90 C +HETATM 139 CD HYP A 21 9.949 -3.447 -4.583 1.00 93.20 C +HETATM 140 OD1 HYP A 21 11.392 -1.833 -3.593 1.00 90.13 O +ATOM 141 N GLY A 22 9.787 -0.607 -8.354 1.00 93.73 N +ATOM 142 CA GLY A 22 9.565 -0.546 -9.767 1.00 92.26 C +ATOM 143 C GLY A 22 10.753 -1.128 -10.513 1.00 92.63 C +ATOM 144 O GLY A 22 11.786 -1.421 -9.908 1.00 92.68 O +ATOM 145 N PRO A 23 10.645 -1.291 -11.829 1.00 94.52 N +ATOM 146 CA PRO A 23 11.752 -1.826 -12.612 1.00 94.06 C +ATOM 147 C PRO A 23 12.839 -0.782 -12.762 1.00 93.13 C +ATOM 148 O PRO A 23 12.681 0.190 -13.490 1.00 90.89 O +ATOM 149 CB PRO A 23 11.096 -2.187 -13.935 1.00 91.58 C +ATOM 150 CG PRO A 23 9.971 -1.226 -14.050 1.00 88.69 C +ATOM 151 CD PRO A 23 9.479 -1.017 -12.634 1.00 92.45 C +HETATM 152 N HYP A 24 13.857 -0.899 -11.980 1.00 95.75 N +HETATM 153 CA HYP A 24 14.831 0.133 -11.494 1.00 92.23 C +HETATM 154 C HYP A 24 14.523 1.136 -10.699 1.00 95.57 C +HETATM 155 O HYP A 24 14.583 2.384 -11.065 1.00 94.56 O +HETATM 156 CB HYP A 24 16.153 -0.370 -11.779 1.00 91.71 C +HETATM 157 CG HYP A 24 15.922 -1.355 -12.897 1.00 91.66 C +HETATM 158 CD HYP A 24 14.473 -1.882 -12.685 1.00 94.11 C +HETATM 159 OD1 HYP A 24 16.836 -2.401 -12.843 1.00 90.91 O +HETATM 160 OXT HYP A 24 14.833 1.042 -9.338 1.00 90.24 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_582.txt b/protein_pdb_582.txt new file mode 100644 index 0000000000000000000000000000000000000000..e7ad7925d82b618a38c336bd081ff584f645212a --- /dev/null +++ b/protein_pdb_582.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 3.991 11.933 -10.286 1.00 96.40 N +ATOM 2 CA GLY A 1 4.311 11.734 -8.910 1.00 96.62 C +ATOM 3 C GLY A 1 4.891 10.370 -8.627 1.00 96.90 C +ATOM 4 O GLY A 1 4.725 9.441 -9.413 1.00 96.06 O +ATOM 5 N PRO A 2 5.523 10.245 -7.560 1.00 96.41 N +ATOM 6 CA PRO A 2 6.099 8.967 -7.181 1.00 96.48 C +ATOM 7 C PRO A 2 5.036 7.993 -6.700 1.00 96.74 C +ATOM 8 O PRO A 2 3.896 8.379 -6.441 1.00 96.24 O +ATOM 9 CB PRO A 2 7.051 9.349 -6.057 1.00 94.63 C +ATOM 10 CG PRO A 2 6.408 10.534 -5.449 1.00 92.10 C +ATOM 11 CD PRO A 2 5.793 11.292 -6.590 1.00 94.91 C +HETATM 12 N HYP A 3 5.437 6.730 -6.609 1.00 96.75 N +HETATM 13 CA HYP A 3 4.517 5.734 -6.074 1.00 95.17 C +HETATM 14 C HYP A 3 4.065 6.087 -4.680 1.00 96.77 C +HETATM 15 O HYP A 3 4.842 6.704 -3.921 1.00 96.87 O +HETATM 16 CB HYP A 3 5.409 4.446 -6.008 1.00 95.06 C +HETATM 17 CG HYP A 3 6.388 4.632 -7.109 1.00 93.76 C +HETATM 18 CD HYP A 3 6.686 6.144 -7.051 1.00 94.83 C +HETATM 19 OD1 HYP A 3 5.781 4.295 -8.311 1.00 94.27 O +ATOM 20 N GLY A 4 2.838 5.737 -4.382 1.00 96.11 N +ATOM 21 CA GLY A 4 2.307 5.968 -3.073 1.00 95.66 C +ATOM 22 C GLY A 4 2.969 5.072 -2.035 1.00 95.92 C +ATOM 23 O GLY A 4 3.686 4.130 -2.374 1.00 96.42 O +ATOM 24 N PRO A 5 2.731 5.354 -0.757 1.00 96.31 N +ATOM 25 CA PRO A 5 3.309 4.540 0.301 1.00 96.06 C +ATOM 26 C PRO A 5 2.644 3.174 0.361 1.00 96.13 C +ATOM 27 O PRO A 5 1.560 2.971 -0.174 1.00 95.73 O +ATOM 28 CB PRO A 5 3.032 5.354 1.555 1.00 94.79 C +ATOM 29 CG PRO A 5 1.790 6.087 1.225 1.00 93.09 C +ATOM 30 CD PRO A 5 1.892 6.415 -0.234 1.00 95.50 C +HETATM 31 N HYP A 6 3.333 2.248 1.022 1.00 96.29 N +HETATM 32 CA HYP A 6 2.731 0.944 1.235 1.00 96.47 C +HETATM 33 C HYP A 6 1.453 1.028 2.015 1.00 96.88 C +HETATM 34 O HYP A 6 1.284 1.932 2.875 1.00 95.97 O +HETATM 35 CB HYP A 6 3.825 0.245 2.107 1.00 94.15 C +HETATM 36 CG HYP A 6 5.107 0.901 1.677 1.00 93.86 C +HETATM 37 CD HYP A 6 4.681 2.365 1.515 1.00 94.87 C +HETATM 38 OD1 HYP A 6 5.510 0.384 0.435 1.00 93.17 O +ATOM 39 N GLY A 7 0.548 0.156 1.689 1.00 96.43 N +ATOM 40 CA GLY A 7 -0.694 0.086 2.399 1.00 96.17 C +ATOM 41 C GLY A 7 -0.488 -0.409 3.815 1.00 96.52 C +ATOM 42 O GLY A 7 0.598 -0.847 4.189 1.00 96.31 O +ATOM 43 N PRO A 8 -1.531 -0.346 4.629 1.00 96.63 N +ATOM 44 CA PRO A 8 -1.428 -0.823 5.998 1.00 96.58 C +ATOM 45 C PRO A 8 -1.365 -2.343 6.042 1.00 96.72 C +ATOM 46 O PRO A 8 -1.687 -3.025 5.079 1.00 96.12 O +ATOM 47 CB PRO A 8 -2.704 -0.301 6.648 1.00 95.39 C +ATOM 48 CG PRO A 8 -3.665 -0.249 5.521 1.00 94.04 C +ATOM 49 CD PRO A 8 -2.856 0.151 4.320 1.00 95.78 C +HETATM 50 N HYP A 9 -0.934 -2.862 7.202 1.00 96.38 N +HETATM 51 CA HYP A 9 -0.919 -4.280 7.368 1.00 96.19 C +HETATM 52 C HYP A 9 -2.275 -4.883 7.301 1.00 96.49 C +HETATM 53 O HYP A 9 -3.269 -4.272 7.725 1.00 95.83 O +HETATM 54 CB HYP A 9 -0.390 -4.471 8.836 1.00 93.78 C +HETATM 55 CG HYP A 9 0.404 -3.278 9.087 1.00 93.20 C +HETATM 56 CD HYP A 9 -0.314 -2.176 8.366 1.00 95.04 C +HETATM 57 OD1 HYP A 9 1.674 -3.471 8.518 1.00 92.19 O +ATOM 58 N GLY A 10 -2.429 -6.057 6.745 1.00 95.76 N +ATOM 59 CA GLY A 10 -3.631 -6.835 6.892 1.00 94.69 C +ATOM 60 C GLY A 10 -3.709 -7.378 8.302 1.00 94.81 C +ATOM 61 O GLY A 10 -2.862 -7.099 9.148 1.00 93.79 O +ATOM 62 N TRP A 11 -4.720 -8.173 8.552 1.00 95.14 N +ATOM 63 CA TRP A 11 -4.847 -8.727 9.898 1.00 95.29 C +ATOM 64 C TRP A 11 -3.653 -9.581 10.276 1.00 94.90 C +ATOM 65 O TRP A 11 -3.214 -9.558 11.425 1.00 93.95 O +ATOM 66 CB TRP A 11 -6.129 -9.547 9.992 1.00 94.59 C +ATOM 67 CG TRP A 11 -7.366 -8.715 10.091 1.00 90.98 C +ATOM 68 CD1 TRP A 11 -7.589 -7.494 9.537 1.00 91.20 C +ATOM 69 CD2 TRP A 11 -8.571 -9.051 10.792 1.00 91.13 C +ATOM 70 NE1 TRP A 11 -8.841 -7.047 9.851 1.00 87.27 N +ATOM 71 CE2 TRP A 11 -9.464 -7.981 10.612 1.00 89.59 C +ATOM 72 CE3 TRP A 11 -8.966 -10.149 11.550 1.00 88.66 C +ATOM 73 CZ2 TRP A 11 -10.746 -7.985 11.169 1.00 91.17 C +ATOM 74 CZ3 TRP A 11 -10.236 -10.156 12.100 1.00 85.87 C +ATOM 75 CH2 TRP A 11 -11.100 -9.089 11.906 1.00 85.18 C +ATOM 76 N LEU A 12 -3.123 -10.333 9.306 1.00 94.53 N +ATOM 77 CA LEU A 12 -1.982 -11.208 9.550 1.00 94.78 C +ATOM 78 C LEU A 12 -0.849 -10.987 8.564 1.00 95.32 C +ATOM 79 O LEU A 12 0.180 -11.659 8.667 1.00 93.19 O +ATOM 80 CB LEU A 12 -2.416 -12.672 9.476 1.00 93.11 C +ATOM 81 CG LEU A 12 -3.419 -13.126 10.523 1.00 89.66 C +ATOM 82 CD1 LEU A 12 -3.866 -14.540 10.230 1.00 87.46 C +ATOM 83 CD2 LEU A 12 -2.817 -13.042 11.918 1.00 83.65 C +ATOM 84 N GLY A 13 -0.999 -10.102 7.613 1.00 95.48 N +ATOM 85 CA GLY A 13 -0.052 -9.970 6.530 1.00 95.26 C +ATOM 86 C GLY A 13 0.800 -8.732 6.605 1.00 95.93 C +ATOM 87 O GLY A 13 0.629 -7.880 7.476 1.00 95.83 O +ATOM 88 N PRO A 14 1.745 -8.633 5.680 1.00 96.82 N +ATOM 89 CA PRO A 14 2.619 -7.478 5.600 1.00 96.75 C +ATOM 90 C PRO A 14 1.875 -6.276 5.060 1.00 96.91 C +ATOM 91 O PRO A 14 0.717 -6.364 4.664 1.00 96.47 O +ATOM 92 CB PRO A 14 3.710 -7.936 4.636 1.00 95.75 C +ATOM 93 CG PRO A 14 2.997 -8.877 3.732 1.00 94.14 C +ATOM 94 CD PRO A 14 2.002 -9.588 4.608 1.00 95.68 C +HETATM 95 N HYP A 15 2.580 -5.162 5.049 1.00 96.65 N +HETATM 96 CA HYP A 15 2.009 -3.991 4.434 1.00 97.05 C +HETATM 97 C HYP A 15 1.576 -4.216 3.040 1.00 97.45 C +HETATM 98 O HYP A 15 2.191 -5.060 2.329 1.00 96.32 O +HETATM 99 CB HYP A 15 3.179 -2.991 4.529 1.00 94.52 C +HETATM 100 CG HYP A 15 3.934 -3.431 5.754 1.00 93.91 C +HETATM 101 CD HYP A 15 3.859 -4.950 5.672 1.00 95.17 C +HETATM 102 OD1 HYP A 15 3.289 -2.965 6.913 1.00 93.39 O +ATOM 103 N GLY A 16 0.563 -3.533 2.608 1.00 97.02 N +ATOM 104 CA GLY A 16 0.105 -3.626 1.254 1.00 96.79 C +ATOM 105 C GLY A 16 1.118 -3.066 0.283 1.00 96.92 C +ATOM 106 O GLY A 16 2.113 -2.458 0.679 1.00 96.79 O +ATOM 107 N PRO A 17 0.875 -3.272 -1.010 1.00 96.34 N +ATOM 108 CA PRO A 17 1.793 -2.779 -2.020 1.00 96.15 C +ATOM 109 C PRO A 17 1.767 -1.267 -2.112 1.00 96.52 C +ATOM 110 O PRO A 17 0.832 -0.621 -1.647 1.00 96.03 O +ATOM 111 CB PRO A 17 1.286 -3.430 -3.303 1.00 95.16 C +ATOM 112 CG PRO A 17 -0.160 -3.613 -3.048 1.00 93.38 C +ATOM 113 CD PRO A 17 -0.275 -3.943 -1.592 1.00 95.06 C +HETATM 114 N HYP A 18 2.818 -0.712 -2.715 1.00 94.95 N +HETATM 115 CA HYP A 18 2.840 0.681 -2.956 1.00 95.19 C +HETATM 116 C HYP A 18 1.700 1.148 -3.820 1.00 96.27 C +HETATM 117 O HYP A 18 1.200 0.392 -4.671 1.00 95.31 O +HETATM 118 CB HYP A 18 4.164 0.839 -3.774 1.00 93.33 C +HETATM 119 CG HYP A 18 5.010 -0.306 -3.311 1.00 92.16 C +HETATM 120 CD HYP A 18 3.993 -1.425 -3.158 1.00 94.39 C +HETATM 121 OD1 HYP A 18 5.578 0.001 -2.039 1.00 92.07 O +ATOM 122 N GLY A 19 1.252 2.338 -3.583 1.00 95.23 N +ATOM 123 CA GLY A 19 0.233 2.922 -4.399 1.00 95.18 C +ATOM 124 C GLY A 19 0.751 3.236 -5.786 1.00 95.41 C +ATOM 125 O GLY A 19 1.953 3.175 -6.048 1.00 95.79 O +ATOM 126 N PRO A 20 -0.149 3.567 -6.696 1.00 95.30 N +ATOM 127 CA PRO A 20 0.253 3.888 -8.055 1.00 95.05 C +ATOM 128 C PRO A 20 0.953 5.232 -8.118 1.00 95.34 C +ATOM 129 O PRO A 20 0.857 6.038 -7.198 1.00 95.21 O +ATOM 130 CB PRO A 20 -1.069 3.911 -8.810 1.00 93.40 C +ATOM 131 CG PRO A 20 -2.047 4.331 -7.777 1.00 91.00 C +ATOM 132 CD PRO A 20 -1.580 3.693 -6.501 1.00 93.66 C +HETATM 133 N HYP A 21 1.684 5.428 -9.233 1.00 95.78 N +HETATM 134 CA HYP A 21 2.273 6.715 -9.431 1.00 94.47 C +HETATM 135 C HYP A 21 1.283 7.843 -9.489 1.00 95.47 C +HETATM 136 O HYP A 21 0.174 7.635 -9.983 1.00 95.55 O +HETATM 137 CB HYP A 21 2.980 6.582 -10.804 1.00 93.73 C +HETATM 138 CG HYP A 21 3.275 5.133 -10.928 1.00 92.19 C +HETATM 139 CD HYP A 21 2.083 4.465 -10.273 1.00 94.58 C +HETATM 140 OD1 HYP A 21 4.445 4.841 -10.174 1.00 91.52 O +ATOM 141 N GLY A 22 1.611 8.966 -8.937 1.00 94.83 N +ATOM 142 CA GLY A 22 0.776 10.124 -9.024 1.00 93.56 C +ATOM 143 C GLY A 22 0.854 10.728 -10.418 1.00 93.73 C +ATOM 144 O GLY A 22 1.637 10.291 -11.251 1.00 93.90 O +ATOM 145 N PRO A 23 0.050 11.754 -10.686 1.00 96.02 N +ATOM 146 CA PRO A 23 0.091 12.400 -11.991 1.00 95.66 C +ATOM 147 C PRO A 23 1.377 13.187 -12.139 1.00 95.03 C +ATOM 148 O PRO A 23 1.581 14.178 -11.454 1.00 93.01 O +ATOM 149 CB PRO A 23 -1.135 13.303 -11.976 1.00 93.70 C +ATOM 150 CG PRO A 23 -1.349 13.596 -10.542 1.00 91.34 C +ATOM 151 CD PRO A 23 -0.918 12.355 -9.798 1.00 94.76 C +HETATM 152 N HYP A 24 2.250 12.731 -12.902 1.00 96.85 N +HETATM 153 CA HYP A 24 3.733 13.011 -12.857 1.00 93.53 C +HETATM 154 C HYP A 24 4.512 12.663 -11.776 1.00 96.27 C +HETATM 155 O HYP A 24 5.370 13.472 -11.169 1.00 95.75 O +HETATM 156 CB HYP A 24 4.152 13.447 -14.143 1.00 94.12 C +HETATM 157 CG HYP A 24 2.844 13.962 -14.777 1.00 93.53 C +HETATM 158 CD HYP A 24 1.696 13.229 -14.044 1.00 95.32 C +HETATM 159 OD1 HYP A 24 2.801 13.666 -16.140 1.00 92.90 O +HETATM 160 OXT HYP A 24 5.229 11.526 -11.754 1.00 91.51 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_583.txt b/protein_pdb_583.txt new file mode 100644 index 0000000000000000000000000000000000000000..c0dbd86f0551c2453e7b6caf99d59490d9d17d76 --- /dev/null +++ b/protein_pdb_583.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 15.124 1.256 -3.507 1.00 84.34 N +ATOM 2 CA GLY A 1 14.156 0.865 -4.516 1.00 86.84 C +ATOM 3 C GLY A 1 12.902 1.698 -4.422 1.00 88.22 C +ATOM 4 O GLY A 1 12.776 2.536 -3.533 1.00 85.71 O +ATOM 5 N PRO A 2 11.969 1.471 -5.311 1.00 84.63 N +ATOM 6 CA PRO A 2 10.738 2.249 -5.310 1.00 86.59 C +ATOM 7 C PRO A 2 9.824 1.870 -4.165 1.00 87.51 C +ATOM 8 O PRO A 2 9.978 0.823 -3.549 1.00 85.29 O +ATOM 9 CB PRO A 2 10.101 1.901 -6.657 1.00 83.02 C +ATOM 10 CG PRO A 2 10.600 0.533 -6.945 1.00 79.80 C +ATOM 11 CD PRO A 2 11.995 0.479 -6.401 1.00 80.06 C +HETATM 12 N HYP A 3 8.930 2.753 -3.901 1.00 82.95 N +HETATM 13 CA HYP A 3 7.883 2.440 -2.902 1.00 85.15 C +HETATM 14 C HYP A 3 7.130 1.208 -3.266 1.00 88.19 C +HETATM 15 O HYP A 3 6.960 0.908 -4.484 1.00 88.79 O +HETATM 16 CB HYP A 3 6.987 3.683 -2.941 1.00 85.82 C +HETATM 17 CG HYP A 3 7.887 4.797 -3.427 1.00 79.92 C +HETATM 18 CD HYP A 3 8.762 4.078 -4.462 1.00 85.45 C +HETATM 19 OD1 HYP A 3 8.691 5.220 -2.367 1.00 83.91 O +ATOM 20 N GLY A 4 6.701 0.488 -2.263 1.00 90.40 N +ATOM 21 CA GLY A 4 5.894 -0.674 -2.488 1.00 90.58 C +ATOM 22 C GLY A 4 4.519 -0.299 -3.008 1.00 91.61 C +ATOM 23 O GLY A 4 4.156 0.875 -3.070 1.00 92.20 O +ATOM 24 N PRO A 5 3.744 -1.298 -3.380 1.00 87.90 N +ATOM 25 CA PRO A 5 2.408 -1.033 -3.894 1.00 87.26 C +ATOM 26 C PRO A 5 1.465 -0.586 -2.793 1.00 87.64 C +ATOM 27 O PRO A 5 1.729 -0.783 -1.615 1.00 87.10 O +ATOM 28 CB PRO A 5 1.991 -2.380 -4.482 1.00 85.55 C +ATOM 29 CG PRO A 5 2.747 -3.375 -3.682 1.00 83.96 C +ATOM 30 CD PRO A 5 4.060 -2.733 -3.363 1.00 85.39 C +HETATM 31 N HYP A 6 0.361 0.029 -3.230 1.00 86.16 N +HETATM 32 CA HYP A 6 -0.668 0.381 -2.280 1.00 93.96 C +HETATM 33 C HYP A 6 -1.182 -0.789 -1.527 1.00 87.49 C +HETATM 34 O HYP A 6 -1.237 -1.933 -2.080 1.00 88.93 O +HETATM 35 CB HYP A 6 -1.749 1.024 -3.157 1.00 86.73 C +HETATM 36 CG HYP A 6 -1.009 1.539 -4.358 1.00 84.07 C +HETATM 37 CD HYP A 6 0.023 0.469 -4.564 1.00 86.92 C +HETATM 38 OD1 HYP A 6 -0.387 2.753 -4.030 1.00 86.13 O +ATOM 39 N GLY A 7 -1.515 -0.595 -0.286 1.00 92.20 N +ATOM 40 CA GLY A 7 -2.085 -1.646 0.512 1.00 91.16 C +ATOM 41 C GLY A 7 -3.462 -2.042 0.006 1.00 91.42 C +ATOM 42 O GLY A 7 -4.020 -1.419 -0.902 1.00 90.78 O +ATOM 43 N PRO A 8 -4.005 -3.078 0.603 1.00 90.70 N +ATOM 44 CA PRO A 8 -5.305 -3.551 0.169 1.00 89.66 C +ATOM 45 C PRO A 8 -6.411 -2.579 0.540 1.00 89.33 C +ATOM 46 O PRO A 8 -6.295 -1.802 1.484 1.00 86.97 O +ATOM 47 CB PRO A 8 -5.467 -4.881 0.901 1.00 87.50 C +ATOM 48 CG PRO A 8 -4.604 -4.748 2.096 1.00 87.42 C +ATOM 49 CD PRO A 8 -3.448 -3.886 1.686 1.00 89.00 C +HETATM 50 N HYP A 9 -7.496 -2.654 -0.197 1.00 89.05 N +HETATM 51 CA HYP A 9 -8.626 -1.827 0.045 1.00 91.79 C +HETATM 52 C HYP A 9 -9.370 -2.275 1.276 1.00 87.85 C +HETATM 53 O HYP A 9 -9.395 -3.466 1.624 1.00 87.89 O +HETATM 54 CB HYP A 9 -9.542 -2.190 -1.188 1.00 84.87 C +HETATM 55 CG HYP A 9 -8.649 -2.769 -2.210 1.00 84.48 C +HETATM 56 CD HYP A 9 -7.606 -3.448 -1.427 1.00 88.25 C +HETATM 57 OD1 HYP A 9 -8.039 -1.708 -2.935 1.00 84.97 O +ATOM 58 N GLY A 10 -9.954 -1.364 1.989 1.00 92.50 N +ATOM 59 CA GLY A 10 -10.937 -1.702 2.989 1.00 89.99 C +ATOM 60 C GLY A 10 -12.247 -2.060 2.312 1.00 90.35 C +ATOM 61 O GLY A 10 -12.383 -1.979 1.092 1.00 88.28 O +ATOM 62 N THR A 11 -13.232 -2.423 3.111 1.00 88.89 N +ATOM 63 CA THR A 11 -14.528 -2.786 2.541 1.00 88.98 C +ATOM 64 C THR A 11 -15.072 -1.664 1.662 1.00 87.51 C +ATOM 65 O THR A 11 -15.511 -1.906 0.536 1.00 85.79 O +ATOM 66 CB THR A 11 -15.528 -3.120 3.653 1.00 87.50 C +ATOM 67 OG1 THR A 11 -14.986 -4.160 4.456 1.00 84.68 O +ATOM 68 CG2 THR A 11 -16.854 -3.578 3.076 1.00 81.87 C +ATOM 69 N PHE A 12 -15.019 -0.455 2.185 1.00 88.00 N +ATOM 70 CA PHE A 12 -15.378 0.735 1.428 1.00 89.29 C +ATOM 71 C PHE A 12 -14.337 1.820 1.675 1.00 90.02 C +ATOM 72 O PHE A 12 -14.659 2.993 1.811 1.00 88.03 O +ATOM 73 CB PHE A 12 -16.779 1.230 1.806 1.00 87.95 C +ATOM 74 CG PHE A 12 -17.874 0.328 1.337 1.00 82.50 C +ATOM 75 CD1 PHE A 12 -18.278 0.352 0.016 1.00 78.78 C +ATOM 76 CD2 PHE A 12 -18.503 -0.556 2.194 1.00 78.90 C +ATOM 77 CE1 PHE A 12 -19.281 -0.491 -0.437 1.00 77.14 C +ATOM 78 CE2 PHE A 12 -19.501 -1.406 1.749 1.00 79.70 C +ATOM 79 CZ PHE A 12 -19.903 -1.371 0.430 1.00 77.46 C +ATOM 80 N GLY A 13 -13.099 1.416 1.720 1.00 92.29 N +ATOM 81 CA GLY A 13 -12.016 2.321 2.022 1.00 91.14 C +ATOM 82 C GLY A 13 -10.978 2.329 0.928 1.00 92.24 C +ATOM 83 O GLY A 13 -10.919 1.419 0.101 1.00 91.98 O +ATOM 84 N PRO A 14 -10.178 3.358 0.914 1.00 92.32 N +ATOM 85 CA PRO A 14 -9.137 3.457 -0.099 1.00 91.75 C +ATOM 86 C PRO A 14 -8.035 2.447 0.141 1.00 91.92 C +ATOM 87 O PRO A 14 -7.904 1.885 1.225 1.00 90.67 O +ATOM 88 CB PRO A 14 -8.625 4.886 0.063 1.00 90.70 C +ATOM 89 CG PRO A 14 -8.850 5.179 1.498 1.00 90.42 C +ATOM 90 CD PRO A 14 -10.130 4.472 1.859 1.00 91.36 C +HETATM 91 N HYP A 15 -7.282 2.271 -0.877 1.00 90.85 N +HETATM 92 CA HYP A 15 -6.102 1.452 -0.734 1.00 91.55 C +HETATM 93 C HYP A 15 -5.207 2.000 0.303 1.00 93.17 C +HETATM 94 O HYP A 15 -5.205 3.259 0.544 1.00 90.57 O +HETATM 95 CB HYP A 15 -5.539 1.518 -2.149 1.00 88.16 C +HETATM 96 CG HYP A 15 -6.734 1.798 -3.039 1.00 84.43 C +HETATM 97 CD HYP A 15 -7.549 2.719 -2.213 1.00 89.36 C +HETATM 98 OD1 HYP A 15 -7.445 0.615 -3.283 1.00 87.92 O +ATOM 99 N GLY A 16 -4.470 1.164 0.940 1.00 93.32 N +ATOM 100 CA GLY A 16 -3.489 1.615 1.890 1.00 92.75 C +ATOM 101 C GLY A 16 -2.392 2.395 1.211 1.00 93.54 C +ATOM 102 O GLY A 16 -2.315 2.458 -0.020 1.00 93.10 O +ATOM 103 N PRO A 17 -1.547 2.998 2.017 1.00 92.23 N +ATOM 104 CA PRO A 17 -0.454 3.771 1.451 1.00 91.58 C +ATOM 105 C PRO A 17 0.582 2.867 0.801 1.00 92.13 C +ATOM 106 O PRO A 17 0.659 1.677 1.084 1.00 90.72 O +ATOM 107 CB PRO A 17 0.120 4.506 2.656 1.00 89.76 C +ATOM 108 CG PRO A 17 -0.221 3.642 3.807 1.00 89.36 C +ATOM 109 CD PRO A 17 -1.535 3.009 3.481 1.00 90.31 C +HETATM 110 N HYP A 18 1.372 3.463 -0.105 1.00 86.38 N +HETATM 111 CA HYP A 18 2.451 2.733 -0.647 1.00 92.09 C +HETATM 112 C HYP A 18 3.393 2.229 0.385 1.00 89.49 C +HETATM 113 O HYP A 18 3.538 2.848 1.472 1.00 90.42 O +HETATM 114 CB HYP A 18 3.103 3.760 -1.575 1.00 87.80 C +HETATM 115 CG HYP A 18 1.996 4.735 -1.937 1.00 86.79 C +HETATM 116 CD HYP A 18 1.202 4.783 -0.660 1.00 89.46 C +HETATM 117 OD1 HYP A 18 1.215 4.180 -2.971 1.00 87.54 O +ATOM 118 N GLY A 19 3.992 1.120 0.118 1.00 90.43 N +ATOM 119 CA GLY A 19 4.986 0.582 1.002 1.00 89.69 C +ATOM 120 C GLY A 19 6.198 1.482 1.072 1.00 90.40 C +ATOM 121 O GLY A 19 6.339 2.434 0.308 1.00 90.57 O +ATOM 122 N PRO A 20 7.070 1.179 1.999 1.00 86.52 N +ATOM 123 CA PRO A 20 8.267 1.985 2.141 1.00 85.59 C +ATOM 124 C PRO A 20 9.214 1.778 0.972 1.00 85.80 C +ATOM 125 O PRO A 20 9.132 0.787 0.254 1.00 85.88 O +ATOM 126 CB PRO A 20 8.875 1.479 3.448 1.00 83.60 C +ATOM 127 CG PRO A 20 8.388 0.085 3.553 1.00 81.17 C +ATOM 128 CD PRO A 20 7.015 0.079 2.957 1.00 82.09 C +HETATM 129 N HYP A 21 10.090 2.715 0.808 1.00 84.95 N +HETATM 130 CA HYP A 21 11.085 2.589 -0.208 1.00 87.19 C +HETATM 131 C HYP A 21 11.986 1.389 -0.019 1.00 84.98 C +HETATM 132 O HYP A 21 12.215 0.983 1.120 1.00 89.04 O +HETATM 133 CB HYP A 21 11.908 3.869 -0.061 1.00 84.44 C +HETATM 134 CG HYP A 21 10.975 4.856 0.605 1.00 81.92 C +HETATM 135 CD HYP A 21 10.150 3.986 1.513 1.00 87.32 C +HETATM 136 OD1 HYP A 21 10.103 5.420 -0.380 1.00 87.33 O +ATOM 137 N GLY A 22 12.346 0.779 -1.076 1.00 83.94 N +ATOM 138 CA GLY A 22 13.267 -0.322 -1.002 1.00 81.76 C +ATOM 139 C GLY A 22 14.637 0.153 -0.549 1.00 81.70 C +ATOM 140 O GLY A 22 14.868 1.341 -0.343 1.00 81.46 O +ATOM 141 N PRO A 23 15.556 -0.774 -0.408 1.00 87.94 N +ATOM 142 CA PRO A 23 16.894 -0.403 0.018 1.00 87.47 C +ATOM 143 C PRO A 23 17.606 0.407 -1.048 1.00 85.80 C +ATOM 144 O PRO A 23 17.242 0.384 -2.218 1.00 82.23 O +ATOM 145 CB PRO A 23 17.574 -1.751 0.255 1.00 83.72 C +ATOM 146 CG PRO A 23 16.850 -2.679 -0.641 1.00 80.67 C +ATOM 147 CD PRO A 23 15.432 -2.202 -0.669 1.00 83.23 C +HETATM 148 N HYP A 24 18.606 1.085 -0.684 1.00 87.05 N +HETATM 149 CA HYP A 24 19.320 1.858 -1.661 1.00 82.24 C +HETATM 150 C HYP A 24 19.513 1.225 -2.921 1.00 82.17 C +HETATM 151 O HYP A 24 20.569 0.668 -3.186 1.00 77.94 O +HETATM 152 CB HYP A 24 20.507 2.386 -0.937 1.00 83.64 C +HETATM 153 CG HYP A 24 20.176 2.291 0.512 1.00 82.55 C +HETATM 154 CD HYP A 24 19.226 1.126 0.590 1.00 86.12 C +HETATM 155 OD1 HYP A 24 19.470 3.459 0.929 1.00 82.61 O +HETATM 156 OXT HYP A 24 18.512 1.285 -3.683 1.00 75.54 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_584.txt b/protein_pdb_584.txt new file mode 100644 index 0000000000000000000000000000000000000000..ae411e0300d4fbea44614f9b700b2e42f0a954f7 --- /dev/null +++ b/protein_pdb_584.txt @@ -0,0 +1,164 @@ +ATOM 1 N GLY A 1 -8.415 15.165 -0.657 1.00 91.53 N +ATOM 2 CA GLY A 1 -8.890 13.902 -1.114 1.00 92.03 C +ATOM 3 C GLY A 1 -8.875 12.823 -0.053 1.00 92.62 C +ATOM 4 O GLY A 1 -8.299 13.004 1.020 1.00 90.91 O +ATOM 5 N PRO A 2 -9.454 11.724 -0.342 1.00 92.61 N +ATOM 6 CA PRO A 2 -9.501 10.621 0.605 1.00 93.16 C +ATOM 7 C PRO A 2 -8.182 9.878 0.664 1.00 93.52 C +ATOM 8 O PRO A 2 -7.320 10.035 -0.203 1.00 91.92 O +ATOM 9 CB PRO A 2 -10.601 9.739 0.033 1.00 90.33 C +ATOM 10 CG PRO A 2 -10.535 9.990 -1.429 1.00 87.00 C +ATOM 11 CD PRO A 2 -10.155 11.439 -1.584 1.00 89.82 C +HETATM 12 N HYP A 3 -8.054 9.083 1.700 1.00 93.15 N +HETATM 13 CA HYP A 3 -6.875 8.227 1.819 1.00 89.27 C +HETATM 14 C HYP A 3 -6.769 7.247 0.658 1.00 92.67 C +HETATM 15 O HYP A 3 -7.815 6.839 0.094 1.00 94.32 O +HETATM 16 CB HYP A 3 -7.165 7.462 3.142 1.00 90.77 C +HETATM 17 CG HYP A 3 -8.060 8.387 3.937 1.00 88.46 C +HETATM 18 CD HYP A 3 -8.911 9.047 2.826 1.00 91.60 C +HETATM 19 OD1 HYP A 3 -7.253 9.365 4.544 1.00 90.49 O +ATOM 20 N GLY A 4 -5.562 6.933 0.282 1.00 93.50 N +ATOM 21 CA GLY A 4 -5.339 5.975 -0.760 1.00 93.18 C +ATOM 22 C GLY A 4 -5.702 4.572 -0.315 1.00 93.74 C +ATOM 23 O GLY A 4 -6.003 4.322 0.852 1.00 93.84 O +ATOM 24 N PRO A 5 -5.672 3.624 -1.249 1.00 92.30 N +ATOM 25 CA PRO A 5 -6.000 2.246 -0.919 1.00 92.08 C +ATOM 26 C PRO A 5 -4.912 1.601 -0.078 1.00 92.12 C +ATOM 27 O PRO A 5 -3.791 2.088 -0.005 1.00 90.69 O +ATOM 28 CB PRO A 5 -6.117 1.574 -2.283 1.00 90.15 C +ATOM 29 CG PRO A 5 -5.229 2.373 -3.154 1.00 88.64 C +ATOM 30 CD PRO A 5 -5.286 3.779 -2.652 1.00 91.27 C +HETATM 31 N HYP A 6 -5.299 0.487 0.555 1.00 93.65 N +HETATM 32 CA HYP A 6 -4.316 -0.283 1.290 1.00 94.06 C +HETATM 33 C HYP A 6 -3.178 -0.739 0.416 1.00 95.09 C +HETATM 34 O HYP A 6 -3.370 -1.010 -0.799 1.00 93.25 O +HETATM 35 CB HYP A 6 -5.135 -1.472 1.816 1.00 91.26 C +HETATM 36 CG HYP A 6 -6.549 -0.967 1.883 1.00 90.79 C +HETATM 37 CD HYP A 6 -6.623 -0.061 0.674 1.00 91.65 C +HETATM 38 OD1 HYP A 6 -6.728 -0.201 3.053 1.00 89.59 O +ATOM 39 N GLY A 7 -1.993 -0.770 0.962 1.00 94.42 N +ATOM 40 CA GLY A 7 -0.845 -1.238 0.243 1.00 93.69 C +ATOM 41 C GLY A 7 -0.933 -2.724 -0.050 1.00 93.83 C +ATOM 42 O GLY A 7 -1.816 -3.428 0.441 1.00 93.32 O +ATOM 43 N PRO A 8 -0.012 -3.216 -0.854 1.00 93.34 N +ATOM 44 CA PRO A 8 -0.005 -4.634 -1.170 1.00 93.07 C +ATOM 45 C PRO A 8 0.363 -5.474 0.041 1.00 93.01 C +ATOM 46 O PRO A 8 0.965 -4.993 0.991 1.00 91.54 O +ATOM 47 CB PRO A 8 1.041 -4.782 -2.271 1.00 91.25 C +ATOM 48 CG PRO A 8 1.671 -3.472 -2.422 1.00 90.53 C +ATOM 49 CD PRO A 8 1.063 -2.480 -1.492 1.00 92.61 C +HETATM 50 N HYP A 9 -0.007 -6.765 -0.009 1.00 93.69 N +HETATM 51 CA HYP A 9 0.361 -7.685 1.013 1.00 92.29 C +HETATM 52 C HYP A 9 1.846 -7.835 1.117 1.00 94.38 C +HETATM 53 O HYP A 9 2.574 -7.744 0.132 1.00 93.53 O +HETATM 54 CB HYP A 9 -0.239 -9.030 0.531 1.00 89.33 C +HETATM 55 CG HYP A 9 -1.355 -8.660 -0.339 1.00 90.53 C +HETATM 56 CD HYP A 9 -0.898 -7.390 -1.002 1.00 92.79 C +HETATM 57 OD1 HYP A 9 -2.495 -8.390 0.441 1.00 89.57 O +ATOM 58 N GLY A 10 2.381 -8.033 2.300 1.00 92.34 N +ATOM 59 CA GLY A 10 3.756 -8.435 2.467 1.00 89.88 C +ATOM 60 C GLY A 10 3.951 -9.855 1.963 1.00 89.51 C +ATOM 61 O GLY A 10 3.050 -10.459 1.383 1.00 88.84 O +ATOM 62 N TYR A 11 5.142 -10.400 2.180 1.00 93.53 N +ATOM 63 CA TYR A 11 5.382 -11.779 1.760 1.00 93.52 C +ATOM 64 C TYR A 11 4.331 -12.697 2.356 1.00 93.52 C +ATOM 65 O TYR A 11 3.784 -13.560 1.675 1.00 92.57 O +ATOM 66 CB TYR A 11 6.784 -12.218 2.172 1.00 92.55 C +ATOM 67 CG TYR A 11 7.874 -11.338 1.622 1.00 88.31 C +ATOM 68 CD1 TYR A 11 8.060 -11.194 0.252 1.00 86.98 C +ATOM 69 CD2 TYR A 11 8.719 -10.639 2.472 1.00 85.67 C +ATOM 70 CE1 TYR A 11 9.055 -10.387 -0.249 1.00 82.86 C +ATOM 71 CE2 TYR A 11 9.724 -9.817 1.972 1.00 83.15 C +ATOM 72 CZ TYR A 11 9.888 -9.699 0.606 1.00 84.10 C +ATOM 73 OH TYR A 11 10.878 -8.884 0.108 1.00 84.61 O +ATOM 74 N TYR A 12 4.037 -12.505 3.622 1.00 92.36 N +ATOM 75 CA TYR A 12 2.926 -13.121 4.335 1.00 92.94 C +ATOM 76 C TYR A 12 2.377 -12.023 5.230 1.00 92.56 C +ATOM 77 O TYR A 12 3.085 -11.555 6.105 1.00 90.23 O +ATOM 78 CB TYR A 12 3.380 -14.285 5.221 1.00 91.62 C +ATOM 79 CG TYR A 12 3.967 -15.443 4.473 1.00 87.15 C +ATOM 80 CD1 TYR A 12 3.157 -16.349 3.804 1.00 84.92 C +ATOM 81 CD2 TYR A 12 5.343 -15.656 4.444 1.00 81.86 C +ATOM 82 CE1 TYR A 12 3.695 -17.420 3.117 1.00 81.01 C +ATOM 83 CE2 TYR A 12 5.891 -16.723 3.762 1.00 81.61 C +ATOM 84 CZ TYR A 12 5.060 -17.605 3.104 1.00 81.29 C +ATOM 85 OH TYR A 12 5.601 -18.671 2.423 1.00 79.22 O +ATOM 86 N GLY A 13 1.165 -11.608 5.028 1.00 95.35 N +ATOM 87 CA GLY A 13 0.626 -10.594 5.906 1.00 94.87 C +ATOM 88 C GLY A 13 -0.438 -9.773 5.239 1.00 95.14 C +ATOM 89 O GLY A 13 -0.697 -9.912 4.044 1.00 94.65 O +ATOM 90 N PRO A 14 -1.067 -8.921 6.019 1.00 95.02 N +ATOM 91 CA PRO A 14 -2.174 -8.123 5.524 1.00 94.55 C +ATOM 92 C PRO A 14 -1.704 -7.016 4.594 1.00 94.74 C +ATOM 93 O PRO A 14 -0.517 -6.719 4.491 1.00 93.58 O +ATOM 94 CB PRO A 14 -2.783 -7.539 6.795 1.00 93.18 C +ATOM 95 CG PRO A 14 -1.641 -7.449 7.734 1.00 92.10 C +ATOM 96 CD PRO A 14 -0.760 -8.627 7.417 1.00 93.44 C +HETATM 97 N HYP A 15 -2.676 -6.439 3.929 1.00 94.87 N +HETATM 98 CA HYP A 15 -2.395 -5.260 3.142 1.00 95.37 C +HETATM 99 C HYP A 15 -1.781 -4.176 3.955 1.00 95.99 C +HETATM 100 O HYP A 15 -2.030 -4.097 5.188 1.00 94.27 O +HETATM 101 CB HYP A 15 -3.798 -4.919 2.616 1.00 92.28 C +HETATM 102 CG HYP A 15 -4.530 -6.252 2.582 1.00 91.33 C +HETATM 103 CD HYP A 15 -4.024 -6.949 3.806 1.00 92.82 C +HETATM 104 OD1 HYP A 15 -4.200 -6.966 1.435 1.00 90.45 O +ATOM 105 N GLY A 16 -0.973 -3.358 3.350 1.00 95.62 N +ATOM 106 CA GLY A 16 -0.389 -2.245 4.037 1.00 95.19 C +ATOM 107 C GLY A 16 -1.423 -1.209 4.422 1.00 95.44 C +ATOM 108 O GLY A 16 -2.600 -1.320 4.073 1.00 94.80 O +ATOM 109 N PRO A 17 -0.980 -0.190 5.145 1.00 94.73 N +ATOM 110 CA PRO A 17 -1.899 0.864 5.553 1.00 94.59 C +ATOM 111 C PRO A 17 -2.404 1.658 4.362 1.00 94.92 C +ATOM 112 O PRO A 17 -1.812 1.642 3.284 1.00 93.63 O +ATOM 113 CB PRO A 17 -1.054 1.758 6.462 1.00 92.94 C +ATOM 114 CG PRO A 17 0.264 1.138 6.565 1.00 91.48 C +ATOM 115 CD PRO A 17 0.388 0.038 5.577 1.00 93.21 C +HETATM 116 N HYP A 18 -3.550 2.361 4.558 1.00 90.57 N +HETATM 117 CA HYP A 18 -4.015 3.251 3.580 1.00 91.58 C +HETATM 118 C HYP A 18 -3.020 4.296 3.194 1.00 92.95 C +HETATM 119 O HYP A 18 -2.194 4.723 4.050 1.00 92.09 O +HETATM 120 CB HYP A 18 -5.251 3.870 4.236 1.00 88.94 C +HETATM 121 CG HYP A 18 -5.734 2.825 5.224 1.00 89.08 C +HETATM 122 CD HYP A 18 -4.428 2.261 5.713 1.00 92.00 C +HETATM 123 OD1 HYP A 18 -6.473 1.831 4.539 1.00 88.19 O +ATOM 124 N GLY A 19 -3.012 4.680 1.968 1.00 90.32 N +ATOM 125 CA GLY A 19 -2.148 5.735 1.514 1.00 89.85 C +ATOM 126 C GLY A 19 -2.510 7.062 2.150 1.00 89.70 C +ATOM 127 O GLY A 19 -3.518 7.193 2.838 1.00 90.89 O +ATOM 128 N PRO A 20 -1.678 8.058 1.919 1.00 90.94 N +ATOM 129 CA PRO A 20 -1.938 9.367 2.494 1.00 90.77 C +ATOM 130 C PRO A 20 -3.127 10.036 1.833 1.00 90.84 C +ATOM 131 O PRO A 20 -3.529 9.678 0.729 1.00 90.58 O +ATOM 132 CB PRO A 20 -0.649 10.134 2.217 1.00 88.56 C +ATOM 133 CG PRO A 20 -0.088 9.480 1.018 1.00 85.50 C +ATOM 134 CD PRO A 20 -0.478 8.035 1.095 1.00 88.60 C +HETATM 135 N HYP A 21 -3.688 10.992 2.530 1.00 91.89 N +HETATM 136 CA HYP A 21 -4.740 11.786 1.986 1.00 90.48 C +HETATM 137 C HYP A 21 -4.358 12.535 0.743 1.00 89.99 C +HETATM 138 O HYP A 21 -3.187 12.969 0.617 1.00 92.12 O +HETATM 139 CB HYP A 21 -5.099 12.768 3.105 1.00 88.21 C +HETATM 140 CG HYP A 21 -4.643 12.109 4.375 1.00 87.77 C +HETATM 141 CD HYP A 21 -3.414 11.356 3.935 1.00 91.26 C +HETATM 142 OD1 HYP A 21 -5.644 11.167 4.777 1.00 86.92 O +ATOM 143 N GLY A 22 -5.213 12.606 -0.201 1.00 89.14 N +ATOM 144 CA GLY A 22 -4.994 13.456 -1.332 1.00 86.26 C +ATOM 145 C GLY A 22 -5.100 14.917 -0.926 1.00 85.24 C +ATOM 146 O GLY A 22 -5.423 15.234 0.217 1.00 85.64 O +ATOM 147 N PRO A 23 -4.850 15.839 -1.850 1.00 91.31 N +ATOM 148 CA PRO A 23 -4.976 17.253 -1.526 1.00 90.38 C +ATOM 149 C PRO A 23 -6.443 17.642 -1.468 1.00 88.70 C +ATOM 150 O PRO A 23 -7.147 17.563 -2.466 1.00 85.08 O +ATOM 151 CB PRO A 23 -4.231 17.946 -2.662 1.00 87.10 C +ATOM 152 CG PRO A 23 -4.279 16.992 -3.788 1.00 83.93 C +ATOM 153 CD PRO A 23 -4.399 15.605 -3.209 1.00 88.53 C +HETATM 154 N HYP A 24 -6.964 17.886 -0.360 1.00 93.88 N +HETATM 155 CA HYP A 24 -8.404 17.718 -0.004 1.00 88.61 C +HETATM 156 C HYP A 24 -9.029 16.508 -0.103 1.00 93.15 C +HETATM 157 O HYP A 24 -10.269 16.440 -0.615 1.00 92.32 O +HETATM 158 CB HYP A 24 -8.694 18.679 1.107 1.00 88.06 C +HETATM 159 CG HYP A 24 -7.574 19.705 1.025 1.00 88.45 C +HETATM 160 CD HYP A 24 -6.454 19.049 0.174 1.00 91.56 C +HETATM 161 OD1 HYP A 24 -7.043 20.031 2.308 1.00 87.97 O +HETATM 162 OXT HYP A 24 -9.208 15.744 1.022 1.00 86.94 O +TER 163 HYP A 24 +END diff --git a/protein_pdb_585.txt b/protein_pdb_585.txt new file mode 100644 index 0000000000000000000000000000000000000000..3cc6ed571e9cff1877c142f7caa7231196e399e5 --- /dev/null +++ b/protein_pdb_585.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 14.542 0.416 -2.321 1.00 94.14 N +ATOM 2 CA GLY A 1 13.390 0.403 -3.151 1.00 94.31 C +ATOM 3 C GLY A 1 12.343 1.423 -2.754 1.00 94.70 C +ATOM 4 O GLY A 1 12.363 1.957 -1.652 1.00 93.40 O +ATOM 5 N PRO A 2 11.439 1.679 -3.628 1.00 93.64 N +ATOM 6 CA PRO A 2 10.373 2.627 -3.350 1.00 93.55 C +ATOM 7 C PRO A 2 9.339 2.032 -2.424 1.00 93.53 C +ATOM 8 O PRO A 2 9.314 0.826 -2.189 1.00 91.82 O +ATOM 9 CB PRO A 2 9.798 2.902 -4.740 1.00 91.30 C +ATOM 10 CG PRO A 2 10.011 1.611 -5.447 1.00 88.42 C +ATOM 11 CD PRO A 2 11.359 1.136 -4.972 1.00 90.86 C +HETATM 12 N HYP A 3 8.482 2.924 -1.884 1.00 94.25 N +HETATM 13 CA HYP A 3 7.412 2.407 -1.052 1.00 92.98 C +HETATM 14 C HYP A 3 6.522 1.462 -1.794 1.00 94.18 C +HETATM 15 O HYP A 3 6.336 1.618 -3.020 1.00 94.99 O +HETATM 16 CB HYP A 3 6.595 3.729 -0.730 1.00 90.73 C +HETATM 17 CG HYP A 3 7.601 4.844 -0.833 1.00 88.27 C +HETATM 18 CD HYP A 3 8.518 4.362 -2.017 1.00 91.84 C +HETATM 19 OD1 HYP A 3 8.350 4.864 0.350 1.00 90.64 O +ATOM 20 N GLY A 4 6.045 0.449 -1.105 1.00 93.81 N +ATOM 21 CA GLY A 4 5.161 -0.502 -1.715 1.00 93.47 C +ATOM 22 C GLY A 4 3.827 0.136 -2.045 1.00 93.80 C +ATOM 23 O GLY A 4 3.509 1.227 -1.573 1.00 93.97 O +ATOM 24 N PRO A 5 3.026 -0.538 -2.868 1.00 93.54 N +ATOM 25 CA PRO A 5 1.721 -0.008 -3.232 1.00 93.09 C +ATOM 26 C PRO A 5 0.758 -0.057 -2.061 1.00 92.80 C +ATOM 27 O PRO A 5 0.981 -0.774 -1.091 1.00 91.31 O +ATOM 28 CB PRO A 5 1.274 -0.924 -4.369 1.00 91.90 C +ATOM 29 CG PRO A 5 1.936 -2.218 -4.036 1.00 89.99 C +ATOM 30 CD PRO A 5 3.279 -1.832 -3.491 1.00 92.26 C +HETATM 31 N HYP A 6 -0.321 0.763 -2.174 1.00 93.16 N +HETATM 32 CA HYP A 6 -1.336 0.675 -1.144 1.00 94.15 C +HETATM 33 C HYP A 6 -1.904 -0.702 -1.042 1.00 93.15 C +HETATM 34 O HYP A 6 -1.987 -1.419 -2.062 1.00 93.10 O +HETATM 35 CB HYP A 6 -2.403 1.672 -1.685 1.00 89.35 C +HETATM 36 CG HYP A 6 -1.646 2.630 -2.548 1.00 89.42 C +HETATM 37 CD HYP A 6 -0.603 1.734 -3.205 1.00 91.73 C +HETATM 38 OD1 HYP A 6 -1.003 3.582 -1.738 1.00 89.39 O +ATOM 39 N GLY A 7 -2.216 -1.121 0.152 1.00 92.63 N +ATOM 40 CA GLY A 7 -2.793 -2.417 0.366 1.00 91.95 C +ATOM 41 C GLY A 7 -4.154 -2.510 -0.288 1.00 92.64 C +ATOM 42 O GLY A 7 -4.744 -1.509 -0.684 1.00 92.55 O +ATOM 43 N PRO A 8 -4.669 -3.725 -0.408 1.00 92.70 N +ATOM 44 CA PRO A 8 -5.969 -3.906 -1.027 1.00 92.45 C +ATOM 45 C PRO A 8 -7.084 -3.399 -0.130 1.00 92.52 C +ATOM 46 O PRO A 8 -6.917 -3.254 1.075 1.00 91.41 O +ATOM 47 CB PRO A 8 -6.053 -5.409 -1.231 1.00 90.70 C +ATOM 48 CG PRO A 8 -5.232 -5.951 -0.113 1.00 89.24 C +ATOM 49 CD PRO A 8 -4.085 -4.980 0.009 1.00 91.52 C +HETATM 50 N HYP A 9 -8.244 -3.134 -0.749 1.00 91.69 N +HETATM 51 CA HYP A 9 -9.373 -2.738 0.034 1.00 89.75 C +HETATM 52 C HYP A 9 -9.796 -3.845 0.940 1.00 91.88 C +HETATM 53 O HYP A 9 -9.633 -5.012 0.629 1.00 90.69 O +HETATM 54 CB HYP A 9 -10.473 -2.536 -1.079 1.00 85.58 C +HETATM 55 CG HYP A 9 -9.725 -2.267 -2.327 1.00 87.31 C +HETATM 56 CD HYP A 9 -8.488 -3.081 -2.216 1.00 89.81 C +HETATM 57 OD1 HYP A 9 -9.368 -0.898 -2.355 1.00 84.45 O +ATOM 58 N GLY A 10 -10.316 -3.579 2.121 1.00 90.60 N +ATOM 59 CA GLY A 10 -10.899 -4.574 2.986 1.00 88.49 C +ATOM 60 C GLY A 10 -12.169 -5.071 2.328 1.00 88.17 C +ATOM 61 O GLY A 10 -12.384 -4.860 1.138 1.00 86.61 O +ATOM 62 N CYS A 11 -13.029 -5.714 3.091 1.00 91.07 N +ATOM 63 CA CYS A 11 -14.285 -6.166 2.488 1.00 92.26 C +ATOM 64 C CYS A 11 -14.908 -5.028 1.691 1.00 92.28 C +ATOM 65 O CYS A 11 -15.296 -5.210 0.544 1.00 90.19 O +ATOM 66 CB CYS A 11 -15.251 -6.669 3.553 1.00 89.70 C +ATOM 67 SG CYS A 11 -14.722 -8.228 4.259 1.00 84.05 S +ATOM 68 N PHE A 12 -14.978 -3.864 2.298 1.00 89.62 N +ATOM 69 CA PHE A 12 -15.376 -2.639 1.605 1.00 91.68 C +ATOM 70 C PHE A 12 -14.647 -1.464 2.222 1.00 92.82 C +ATOM 71 O PHE A 12 -15.015 -0.309 2.024 1.00 89.97 O +ATOM 72 CB PHE A 12 -16.893 -2.435 1.674 1.00 89.27 C +ATOM 73 CG PHE A 12 -17.661 -3.521 0.971 1.00 85.72 C +ATOM 74 CD1 PHE A 12 -17.710 -3.558 -0.411 1.00 82.51 C +ATOM 75 CD2 PHE A 12 -18.305 -4.517 1.689 1.00 80.45 C +ATOM 76 CE1 PHE A 12 -18.380 -4.574 -1.079 1.00 79.78 C +ATOM 77 CE2 PHE A 12 -18.976 -5.544 1.029 1.00 80.41 C +ATOM 78 CZ PHE A 12 -19.015 -5.561 -0.356 1.00 80.69 C +ATOM 79 N GLY A 13 -13.613 -1.766 2.969 1.00 92.47 N +ATOM 80 CA GLY A 13 -12.851 -0.752 3.660 1.00 92.11 C +ATOM 81 C GLY A 13 -11.854 -0.061 2.761 1.00 93.13 C +ATOM 82 O GLY A 13 -11.673 -0.438 1.598 1.00 93.12 O +ATOM 83 N PRO A 14 -11.189 0.959 3.283 1.00 94.00 N +ATOM 84 CA PRO A 14 -10.220 1.715 2.499 1.00 93.86 C +ATOM 85 C PRO A 14 -8.972 0.892 2.206 1.00 93.81 C +ATOM 86 O PRO A 14 -8.706 -0.106 2.863 1.00 92.18 O +ATOM 87 CB PRO A 14 -9.904 2.920 3.384 1.00 92.59 C +ATOM 88 CG PRO A 14 -10.099 2.390 4.760 1.00 91.29 C +ATOM 89 CD PRO A 14 -11.287 1.465 4.645 1.00 92.55 C +HETATM 90 N HYP A 15 -8.219 1.371 1.214 1.00 93.77 N +HETATM 91 CA HYP A 15 -6.971 0.718 0.918 1.00 94.77 C +HETATM 92 C HYP A 15 -6.019 0.786 2.062 1.00 95.18 C +HETATM 93 O HYP A 15 -6.059 1.746 2.859 1.00 93.00 O +HETATM 94 CB HYP A 15 -6.447 1.619 -0.270 1.00 91.14 C +HETATM 95 CG HYP A 15 -7.698 2.193 -0.897 1.00 90.01 C +HETATM 96 CD HYP A 15 -8.588 2.458 0.293 1.00 91.75 C +HETATM 97 OD1 HYP A 15 -8.275 1.246 -1.744 1.00 89.00 O +ATOM 98 N GLY A 16 -5.209 -0.230 2.200 1.00 95.34 N +ATOM 99 CA GLY A 16 -4.219 -0.239 3.238 1.00 94.97 C +ATOM 100 C GLY A 16 -3.164 0.813 2.964 1.00 95.41 C +ATOM 101 O GLY A 16 -3.104 1.390 1.883 1.00 95.10 O +ATOM 102 N PRO A 17 -2.309 1.061 3.965 1.00 92.03 N +ATOM 103 CA PRO A 17 -1.251 2.052 3.794 1.00 91.35 C +ATOM 104 C PRO A 17 -0.196 1.556 2.819 1.00 91.52 C +ATOM 105 O PRO A 17 -0.103 0.371 2.532 1.00 89.71 O +ATOM 106 CB PRO A 17 -0.697 2.213 5.199 1.00 89.58 C +ATOM 107 CG PRO A 17 -0.935 0.880 5.816 1.00 87.58 C +ATOM 108 CD PRO A 17 -2.270 0.449 5.283 1.00 90.04 C +HETATM 109 N HYP A 18 0.605 2.525 2.312 1.00 89.87 N +HETATM 110 CA HYP A 18 1.692 2.112 1.470 1.00 89.55 C +HETATM 111 C HYP A 18 2.629 1.193 2.177 1.00 91.06 C +HETATM 112 O HYP A 18 2.815 1.300 3.398 1.00 90.11 O +HETATM 113 CB HYP A 18 2.399 3.460 1.167 1.00 87.52 C +HETATM 114 CG HYP A 18 1.345 4.494 1.296 1.00 84.43 C +HETATM 115 CD HYP A 18 0.506 3.968 2.452 1.00 89.47 C +HETATM 116 OD1 HYP A 18 0.545 4.541 0.124 1.00 86.15 O +ATOM 117 N GLY A 19 3.179 0.245 1.450 1.00 89.03 N +ATOM 118 CA GLY A 19 4.120 -0.675 2.010 1.00 88.78 C +ATOM 119 C GLY A 19 5.408 0.041 2.373 1.00 89.20 C +ATOM 120 O GLY A 19 5.643 1.172 1.961 1.00 90.11 O +ATOM 121 N PRO A 20 6.259 -0.613 3.155 1.00 88.33 N +ATOM 122 CA PRO A 20 7.528 -0.009 3.536 1.00 88.26 C +ATOM 123 C PRO A 20 8.476 0.064 2.351 1.00 88.21 C +ATOM 124 O PRO A 20 8.303 -0.631 1.356 1.00 87.80 O +ATOM 125 CB PRO A 20 8.045 -0.943 4.616 1.00 86.53 C +ATOM 126 CG PRO A 20 7.473 -2.267 4.228 1.00 83.77 C +ATOM 127 CD PRO A 20 6.091 -1.944 3.717 1.00 86.06 C +HETATM 128 N HYP A 21 9.475 0.947 2.481 1.00 87.95 N +HETATM 129 CA HYP A 21 10.482 1.000 1.436 1.00 87.46 C +HETATM 130 C HYP A 21 11.188 -0.320 1.217 1.00 88.57 C +HETATM 131 O HYP A 21 11.391 -1.050 2.176 1.00 90.53 O +HETATM 132 CB HYP A 21 11.460 2.073 1.951 1.00 85.97 C +HETATM 133 CG HYP A 21 10.657 2.944 2.883 1.00 84.63 C +HETATM 134 CD HYP A 21 9.694 1.958 3.535 1.00 89.12 C +HETATM 135 OD1 HYP A 21 9.895 3.876 2.124 1.00 84.82 O +ATOM 136 N GLY A 22 11.476 -0.654 0.005 1.00 89.10 N +ATOM 137 CA GLY A 22 12.196 -1.851 -0.299 1.00 86.79 C +ATOM 138 C GLY A 22 13.651 -1.704 0.129 1.00 86.82 C +ATOM 139 O GLY A 22 14.061 -0.636 0.582 1.00 87.23 O +ATOM 140 N PRO A 23 14.462 -2.749 -0.013 1.00 92.11 N +ATOM 141 CA PRO A 23 15.868 -2.676 0.366 1.00 91.89 C +ATOM 142 C PRO A 23 16.651 -1.853 -0.643 1.00 90.82 C +ATOM 143 O PRO A 23 17.019 -2.351 -1.697 1.00 87.78 O +ATOM 144 CB PRO A 23 16.299 -4.138 0.379 1.00 88.70 C +ATOM 145 CG PRO A 23 15.415 -4.777 -0.632 1.00 85.62 C +ATOM 146 CD PRO A 23 14.095 -4.060 -0.512 1.00 89.66 C +HETATM 147 N HYP A 24 16.812 -0.613 -0.486 1.00 94.46 N +HETATM 148 CA HYP A 24 17.095 0.438 -1.545 1.00 91.63 C +HETATM 149 C HYP A 24 15.990 0.903 -2.327 1.00 94.29 C +HETATM 150 O HYP A 24 16.176 1.053 -3.624 1.00 94.29 O +HETATM 151 CB HYP A 24 17.783 1.567 -0.779 1.00 90.36 C +HETATM 152 CG HYP A 24 18.200 0.983 0.587 1.00 88.31 C +HETATM 153 CD HYP A 24 17.589 -0.432 0.645 1.00 92.35 C +HETATM 154 OD1 HYP A 24 19.593 0.864 0.668 1.00 90.59 O +HETATM 155 OXT HYP A 24 15.403 2.145 -2.151 1.00 89.48 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_586.txt b/protein_pdb_586.txt new file mode 100644 index 0000000000000000000000000000000000000000..ce1f772b8e393c9691ed805527446c5e6606f131 --- /dev/null +++ b/protein_pdb_586.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 -11.269 13.514 1.145 1.00 93.90 N +ATOM 2 CA GLY A 1 -11.219 12.342 0.340 1.00 94.52 C +ATOM 3 C GLY A 1 -11.107 11.064 1.141 1.00 95.20 C +ATOM 4 O GLY A 1 -10.727 11.088 2.305 1.00 93.96 O +ATOM 5 N PRO A 2 -11.400 9.983 0.531 1.00 94.21 N +ATOM 6 CA PRO A 2 -11.329 8.693 1.205 1.00 94.48 C +ATOM 7 C PRO A 2 -9.897 8.207 1.346 1.00 94.64 C +ATOM 8 O PRO A 2 -8.990 8.701 0.672 1.00 93.60 O +ATOM 9 CB PRO A 2 -12.131 7.783 0.282 1.00 92.49 C +ATOM 10 CG PRO A 2 -11.935 8.388 -1.061 1.00 90.46 C +ATOM 11 CD PRO A 2 -11.883 9.871 -0.835 1.00 92.62 C +HETATM 12 N HYP A 3 -9.723 7.230 2.219 1.00 94.55 N +HETATM 13 CA HYP A 3 -8.400 6.633 2.376 1.00 92.47 C +HETATM 14 C HYP A 3 -7.961 5.904 1.104 1.00 95.07 C +HETATM 15 O HYP A 3 -8.820 5.395 0.355 1.00 95.00 O +HETATM 16 CB HYP A 3 -8.667 5.545 3.487 1.00 91.27 C +HETATM 17 CG HYP A 3 -9.823 6.116 4.280 1.00 89.84 C +HETATM 18 CD HYP A 3 -10.689 6.784 3.177 1.00 92.76 C +HETATM 19 OD1 HYP A 3 -9.333 7.093 5.147 1.00 91.84 O +ATOM 20 N GLY A 4 -6.691 5.924 0.855 1.00 95.11 N +ATOM 21 CA GLY A 4 -6.158 5.236 -0.287 1.00 94.76 C +ATOM 22 C GLY A 4 -6.243 3.734 -0.127 1.00 95.12 C +ATOM 23 O GLY A 4 -6.527 3.222 0.956 1.00 95.24 O +ATOM 24 N PRO A 5 -5.984 2.995 -1.208 1.00 94.51 N +ATOM 25 CA PRO A 5 -6.034 1.539 -1.153 1.00 94.26 C +ATOM 26 C PRO A 5 -4.865 0.970 -0.373 1.00 94.23 C +ATOM 27 O PRO A 5 -3.857 1.637 -0.159 1.00 93.24 O +ATOM 28 CB PRO A 5 -5.980 1.126 -2.622 1.00 93.03 C +ATOM 29 CG PRO A 5 -5.228 2.233 -3.271 1.00 91.66 C +ATOM 30 CD PRO A 5 -5.624 3.479 -2.536 1.00 93.96 C +HETATM 31 N HYP A 6 -5.042 -0.301 0.046 1.00 94.19 N +HETATM 32 CA HYP A 6 -3.937 -0.989 0.704 1.00 94.37 C +HETATM 33 C HYP A 6 -2.732 -1.101 -0.209 1.00 94.48 C +HETATM 34 O HYP A 6 -2.881 -1.149 -1.443 1.00 94.39 O +HETATM 35 CB HYP A 6 -4.538 -2.390 0.972 1.00 90.67 C +HETATM 36 CG HYP A 6 -6.031 -2.145 1.067 1.00 90.90 C +HETATM 37 CD HYP A 6 -6.265 -1.079 -0.002 1.00 92.78 C +HETATM 38 OD1 HYP A 6 -6.341 -1.616 2.335 1.00 90.64 O +ATOM 39 N GLY A 7 -1.566 -1.077 0.365 1.00 94.73 N +ATOM 40 CA GLY A 7 -0.354 -1.205 -0.390 1.00 94.27 C +ATOM 41 C GLY A 7 -0.224 -2.570 -1.033 1.00 94.72 C +ATOM 42 O GLY A 7 -0.955 -3.502 -0.699 1.00 94.70 O +ATOM 43 N PRO A 8 0.716 -2.707 -1.951 1.00 95.23 N +ATOM 44 CA PRO A 8 0.910 -3.981 -2.632 1.00 95.08 C +ATOM 45 C PRO A 8 1.432 -5.063 -1.704 1.00 95.12 C +ATOM 46 O PRO A 8 2.120 -4.784 -0.733 1.00 93.95 O +ATOM 47 CB PRO A 8 1.944 -3.673 -3.712 1.00 93.51 C +ATOM 48 CG PRO A 8 1.981 -2.194 -3.807 1.00 92.17 C +ATOM 49 CD PRO A 8 1.605 -1.679 -2.462 1.00 94.22 C +HETATM 50 N HYP A 9 1.074 -6.333 -2.066 1.00 94.58 N +HETATM 51 CA HYP A 9 1.611 -7.458 -1.331 1.00 94.79 C +HETATM 52 C HYP A 9 3.106 -7.578 -1.545 1.00 95.29 C +HETATM 53 O HYP A 9 3.619 -7.143 -2.570 1.00 94.36 O +HETATM 54 CB HYP A 9 0.970 -8.707 -2.000 1.00 91.19 C +HETATM 55 CG HYP A 9 -0.235 -8.202 -2.707 1.00 91.38 C +HETATM 56 CD HYP A 9 0.114 -6.796 -3.085 1.00 93.14 C +HETATM 57 OD1 HYP A 9 -1.318 -8.161 -1.794 1.00 90.10 O +ATOM 58 N GLY A 10 3.876 -8.145 -0.734 1.00 93.51 N +ATOM 59 CA GLY A 10 5.290 -8.384 -0.925 1.00 92.29 C +ATOM 60 C GLY A 10 5.736 -9.620 -0.182 1.00 92.51 C +ATOM 61 O GLY A 10 5.011 -10.175 0.639 1.00 91.21 O +ATOM 62 N ILE A 11 6.967 -10.058 -0.463 1.00 92.48 N +ATOM 63 CA ILE A 11 7.487 -11.254 0.187 1.00 92.54 C +ATOM 64 C ILE A 11 7.776 -11.026 1.664 1.00 92.17 C +ATOM 65 O ILE A 11 7.959 -11.989 2.409 1.00 89.86 O +ATOM 66 CB ILE A 11 8.743 -11.783 -0.526 1.00 91.48 C +ATOM 67 CG1 ILE A 11 9.840 -10.726 -0.547 1.00 88.56 C +ATOM 68 CG2 ILE A 11 8.401 -12.240 -1.929 1.00 86.44 C +ATOM 69 CD1 ILE A 11 11.171 -11.256 -1.082 1.00 80.78 C +ATOM 70 N TRP A 12 7.816 -9.762 2.079 1.00 92.45 N +ATOM 71 CA TRP A 12 8.112 -9.438 3.469 1.00 92.12 C +ATOM 72 C TRP A 12 6.880 -9.201 4.324 1.00 91.96 C +ATOM 73 O TRP A 12 7.020 -9.020 5.536 1.00 89.60 O +ATOM 74 CB TRP A 12 9.034 -8.217 3.533 1.00 90.97 C +ATOM 75 CG TRP A 12 10.330 -8.406 2.818 1.00 86.13 C +ATOM 76 CD1 TRP A 12 10.784 -7.718 1.729 1.00 86.24 C +ATOM 77 CD2 TRP A 12 11.369 -9.361 3.123 1.00 84.67 C +ATOM 78 NE1 TRP A 12 12.015 -8.168 1.345 1.00 78.88 N +ATOM 79 CE2 TRP A 12 12.405 -9.186 2.186 1.00 82.79 C +ATOM 80 CE3 TRP A 12 11.510 -10.344 4.113 1.00 79.69 C +ATOM 81 CZ2 TRP A 12 13.573 -9.952 2.198 1.00 84.37 C +ATOM 82 CZ3 TRP A 12 12.663 -11.105 4.123 1.00 78.18 C +ATOM 83 CH2 TRP A 12 13.676 -10.909 3.185 1.00 77.07 C +ATOM 84 N GLY A 13 5.725 -9.195 3.736 1.00 94.31 N +ATOM 85 CA GLY A 13 4.543 -8.960 4.544 1.00 93.74 C +ATOM 86 C GLY A 13 3.289 -8.777 3.730 1.00 94.33 C +ATOM 87 O GLY A 13 3.311 -8.823 2.503 1.00 94.29 O +ATOM 88 N PRO A 14 2.182 -8.580 4.423 1.00 95.42 N +ATOM 89 CA PRO A 14 0.888 -8.404 3.777 1.00 95.35 C +ATOM 90 C PRO A 14 0.772 -7.035 3.119 1.00 95.41 C +ATOM 91 O PRO A 14 1.703 -6.232 3.162 1.00 94.50 O +ATOM 92 CB PRO A 14 -0.096 -8.554 4.933 1.00 93.97 C +ATOM 93 CG PRO A 14 0.649 -8.037 6.109 1.00 92.45 C +ATOM 94 CD PRO A 14 2.082 -8.457 5.879 1.00 93.94 C +HETATM 95 N HYP A 15 -0.395 -6.809 2.527 1.00 94.05 N +HETATM 96 CA HYP A 15 -0.639 -5.510 1.933 1.00 94.15 C +HETATM 97 C HYP A 15 -0.383 -4.401 2.908 1.00 95.55 C +HETATM 98 O HYP A 15 -0.619 -4.581 4.135 1.00 94.15 O +HETATM 99 CB HYP A 15 -2.137 -5.591 1.554 1.00 91.56 C +HETATM 100 CG HYP A 15 -2.378 -7.058 1.347 1.00 89.70 C +HETATM 101 CD HYP A 15 -1.530 -7.713 2.412 1.00 92.46 C +HETATM 102 OD1 HYP A 15 -1.932 -7.431 0.088 1.00 89.93 O +ATOM 103 N GLY A 16 0.116 -3.315 2.422 1.00 95.22 N +ATOM 104 CA GLY A 16 0.355 -2.178 3.267 1.00 94.89 C +ATOM 105 C GLY A 16 -0.945 -1.579 3.761 1.00 95.42 C +ATOM 106 O GLY A 16 -2.032 -1.944 3.301 1.00 95.36 O +ATOM 107 N PRO A 17 -0.845 -0.658 4.708 1.00 92.94 N +ATOM 108 CA PRO A 17 -2.044 -0.014 5.228 1.00 92.75 C +ATOM 109 C PRO A 17 -2.677 0.900 4.197 1.00 93.02 C +ATOM 110 O PRO A 17 -2.048 1.281 3.210 1.00 91.84 O +ATOM 111 CB PRO A 17 -1.530 0.771 6.435 1.00 91.24 C +ATOM 112 CG PRO A 17 -0.100 1.003 6.136 1.00 89.61 C +ATOM 113 CD PRO A 17 0.372 -0.177 5.344 1.00 91.65 C +HETATM 114 N HYP A 18 -3.952 1.233 4.435 1.00 91.75 N +HETATM 115 CA HYP A 18 -4.601 2.165 3.577 1.00 89.49 C +HETATM 116 C HYP A 18 -3.905 3.498 3.522 1.00 92.77 C +HETATM 117 O HYP A 18 -3.265 3.902 4.516 1.00 92.10 O +HETATM 118 CB HYP A 18 -6.001 2.305 4.261 1.00 88.13 C +HETATM 119 CG HYP A 18 -6.205 0.972 4.962 1.00 86.92 C +HETATM 120 CD HYP A 18 -4.813 0.660 5.461 1.00 91.22 C +HETATM 121 OD1 HYP A 18 -6.606 -0.005 4.027 1.00 88.79 O +ATOM 122 N GLY A 19 -3.937 4.113 2.398 1.00 91.73 N +ATOM 123 CA GLY A 19 -3.333 5.407 2.248 1.00 91.38 C +ATOM 124 C GLY A 19 -4.028 6.441 3.108 1.00 91.71 C +ATOM 125 O GLY A 19 -5.095 6.190 3.668 1.00 92.72 O +ATOM 126 N PRO A 20 -3.418 7.609 3.225 1.00 89.90 N +ATOM 127 CA PRO A 20 -4.012 8.658 4.042 1.00 90.05 C +ATOM 128 C PRO A 20 -5.275 9.215 3.405 1.00 90.04 C +ATOM 129 O PRO A 20 -5.467 9.129 2.198 1.00 90.11 O +ATOM 130 CB PRO A 20 -2.917 9.714 4.111 1.00 88.12 C +ATOM 131 CG PRO A 20 -2.136 9.501 2.862 1.00 86.63 C +ATOM 132 CD PRO A 20 -2.168 8.021 2.609 1.00 89.43 C +HETATM 133 N HYP A 21 -6.107 9.768 4.256 1.00 92.88 N +HETATM 134 CA HYP A 21 -7.285 10.425 3.758 1.00 91.77 C +HETATM 135 C HYP A 21 -6.964 11.599 2.871 1.00 92.97 C +HETATM 136 O HYP A 21 -5.952 12.269 3.105 1.00 93.17 O +HETATM 137 CB HYP A 21 -7.972 10.957 5.056 1.00 89.18 C +HETATM 138 CG HYP A 21 -7.460 10.072 6.168 1.00 88.64 C +HETATM 139 CD HYP A 21 -6.032 9.775 5.737 1.00 91.50 C +HETATM 140 OD1 HYP A 21 -8.204 8.860 6.167 1.00 88.89 O +ATOM 141 N GLY A 22 -7.692 11.782 1.845 1.00 94.33 N +ATOM 142 CA GLY A 22 -7.533 12.954 1.035 1.00 93.46 C +ATOM 143 C GLY A 22 -8.097 14.166 1.753 1.00 93.63 C +ATOM 144 O GLY A 22 -8.726 14.038 2.804 1.00 93.49 O +ATOM 145 N PRO A 23 -7.900 15.363 1.208 1.00 94.12 N +ATOM 146 CA PRO A 23 -8.456 16.555 1.829 1.00 93.46 C +ATOM 147 C PRO A 23 -9.955 16.604 1.591 1.00 92.53 C +ATOM 148 O PRO A 23 -10.405 16.743 0.457 1.00 89.75 O +ATOM 149 CB PRO A 23 -7.723 17.694 1.134 1.00 91.25 C +ATOM 150 CG PRO A 23 -7.330 17.131 -0.185 1.00 89.21 C +ATOM 151 CD PRO A 23 -7.131 15.652 0.022 1.00 92.02 C +HETATM 152 N HYP A 24 -10.719 16.311 2.548 1.00 95.55 N +HETATM 153 CA HYP A 24 -12.149 15.815 2.348 1.00 91.53 C +HETATM 154 C HYP A 24 -12.366 14.499 1.880 1.00 94.67 C +HETATM 155 O HYP A 24 -13.394 14.258 1.077 1.00 94.25 O +HETATM 156 CB HYP A 24 -12.880 16.304 3.570 1.00 90.38 C +HETATM 157 CG HYP A 24 -12.116 17.558 3.957 1.00 90.59 C +HETATM 158 CD HYP A 24 -10.634 17.237 3.583 1.00 92.89 C +HETATM 159 OD1 HYP A 24 -12.303 17.978 5.253 1.00 90.67 O +HETATM 160 OXT HYP A 24 -12.539 13.472 2.751 1.00 89.15 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_587.txt b/protein_pdb_587.txt new file mode 100644 index 0000000000000000000000000000000000000000..d9a6e848ff91239a713a90e345ca610ee93c7e8f --- /dev/null +++ b/protein_pdb_587.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 14.507 0.790 -6.525 1.00 82.50 N +ATOM 2 CA GLY A 1 13.809 2.056 -6.362 1.00 83.72 C +ATOM 3 C GLY A 1 13.087 2.102 -5.045 1.00 84.20 C +ATOM 4 O GLY A 1 13.114 1.139 -4.277 1.00 81.79 O +ATOM 5 N PRO A 2 12.417 3.212 -4.747 1.00 87.51 N +ATOM 6 CA PRO A 2 11.700 3.360 -3.483 1.00 88.68 C +ATOM 7 C PRO A 2 10.468 2.484 -3.426 1.00 88.54 C +ATOM 8 O PRO A 2 9.971 2.009 -4.438 1.00 86.78 O +ATOM 9 CB PRO A 2 11.331 4.842 -3.464 1.00 85.75 C +ATOM 10 CG PRO A 2 11.223 5.195 -4.901 1.00 83.00 C +ATOM 11 CD PRO A 2 12.279 4.389 -5.597 1.00 84.46 C +HETATM 12 N HYP A 3 10.025 2.262 -2.235 1.00 81.75 N +HETATM 13 CA HYP A 3 8.736 1.552 -2.067 1.00 83.57 C +HETATM 14 C HYP A 3 7.635 2.243 -2.773 1.00 87.67 C +HETATM 15 O HYP A 3 7.647 3.489 -2.901 1.00 90.24 O +HETATM 16 CB HYP A 3 8.574 1.551 -0.532 1.00 83.77 C +HETATM 17 CG HYP A 3 9.992 1.589 -0.017 1.00 79.61 C +HETATM 18 CD HYP A 3 10.670 2.538 -0.985 1.00 84.09 C +HETATM 19 OD1 HYP A 3 10.555 0.314 -0.129 1.00 85.02 O +ATOM 20 N GLY A 4 6.727 1.446 -3.304 1.00 91.21 N +ATOM 21 CA GLY A 4 5.579 1.991 -3.974 1.00 91.36 C +ATOM 22 C GLY A 4 4.673 2.724 -3.001 1.00 91.92 C +ATOM 23 O GLY A 4 4.845 2.634 -1.785 1.00 92.41 O +ATOM 24 N PRO A 5 3.706 3.449 -3.535 1.00 90.61 N +ATOM 25 CA PRO A 5 2.790 4.180 -2.669 1.00 90.86 C +ATOM 26 C PRO A 5 1.855 3.246 -1.931 1.00 90.93 C +ATOM 27 O PRO A 5 1.660 2.101 -2.325 1.00 90.21 O +ATOM 28 CB PRO A 5 2.028 5.078 -3.648 1.00 88.96 C +ATOM 29 CG PRO A 5 2.070 4.326 -4.925 1.00 86.53 C +ATOM 30 CD PRO A 5 3.394 3.627 -4.945 1.00 88.89 C +HETATM 31 N HYP A 6 1.287 3.746 -0.854 1.00 88.59 N +HETATM 32 CA HYP A 6 0.304 2.980 -0.123 1.00 93.67 C +HETATM 33 C HYP A 6 -0.882 2.658 -0.972 1.00 89.38 C +HETATM 34 O HYP A 6 -1.260 3.448 -1.873 1.00 92.51 O +HETATM 35 CB HYP A 6 -0.092 3.950 1.010 1.00 85.10 C +HETATM 36 CG HYP A 6 1.109 4.826 1.169 1.00 84.60 C +HETATM 37 CD HYP A 6 1.565 5.000 -0.242 1.00 86.98 C +HETATM 38 OD1 HYP A 6 2.092 4.143 1.914 1.00 87.62 O +ATOM 39 N GLY A 7 -1.403 1.494 -0.741 1.00 93.23 N +ATOM 40 CA GLY A 7 -2.590 1.094 -1.446 1.00 92.27 C +ATOM 41 C GLY A 7 -3.766 1.966 -1.070 1.00 92.52 C +ATOM 42 O GLY A 7 -3.717 2.721 -0.103 1.00 92.52 O +ATOM 43 N PRO A 8 -4.827 1.867 -1.835 1.00 93.23 N +ATOM 44 CA PRO A 8 -6.009 2.661 -1.536 1.00 92.98 C +ATOM 45 C PRO A 8 -6.726 2.142 -0.307 1.00 92.42 C +ATOM 46 O PRO A 8 -6.573 0.992 0.085 1.00 91.34 O +ATOM 47 CB PRO A 8 -6.869 2.502 -2.782 1.00 91.53 C +ATOM 48 CG PRO A 8 -6.486 1.168 -3.307 1.00 90.59 C +ATOM 49 CD PRO A 8 -5.014 1.027 -3.014 1.00 92.50 C +HETATM 50 N HYP A 9 -7.538 3.026 0.296 1.00 89.48 N +HETATM 51 CA HYP A 9 -8.330 2.620 1.397 1.00 91.39 C +HETATM 52 C HYP A 9 -9.388 1.638 0.957 1.00 88.49 C +HETATM 53 O HYP A 9 -9.899 1.719 -0.173 1.00 90.19 O +HETATM 54 CB HYP A 9 -9.033 3.952 1.808 1.00 85.03 C +HETATM 55 CG HYP A 9 -8.121 5.005 1.336 1.00 84.52 C +HETATM 56 CD HYP A 9 -7.604 4.463 0.085 1.00 88.71 C +HETATM 57 OD1 HYP A 9 -7.057 5.154 2.251 1.00 85.29 O +ATOM 58 N GLY A 10 -9.721 0.686 1.762 1.00 91.31 N +ATOM 59 CA GLY A 10 -10.834 -0.187 1.485 1.00 88.19 C +ATOM 60 C GLY A 10 -12.140 0.543 1.773 1.00 88.11 C +ATOM 61 O GLY A 10 -12.162 1.740 2.048 1.00 86.59 O +ATOM 62 N ASN A 11 -13.233 -0.204 1.715 1.00 90.08 N +ATOM 63 CA ASN A 11 -14.506 0.399 2.091 1.00 91.09 C +ATOM 64 C ASN A 11 -14.446 0.943 3.505 1.00 90.87 C +ATOM 65 O ASN A 11 -15.067 1.953 3.820 1.00 89.02 O +ATOM 66 CB ASN A 11 -15.624 -0.634 1.978 1.00 88.42 C +ATOM 67 CG ASN A 11 -15.913 -1.006 0.537 1.00 83.28 C +ATOM 68 OD1 ASN A 11 -15.856 -0.163 -0.355 1.00 79.73 O +ATOM 69 ND2 ASN A 11 -16.232 -2.264 0.308 1.00 75.63 N +ATOM 70 N TRP A 12 -13.682 0.243 4.348 1.00 88.95 N +ATOM 71 CA TRP A 12 -13.423 0.669 5.708 1.00 90.02 C +ATOM 72 C TRP A 12 -12.073 0.108 6.098 1.00 89.36 C +ATOM 73 O TRP A 12 -11.835 -1.093 5.951 1.00 85.13 O +ATOM 74 CB TRP A 12 -14.498 0.150 6.663 1.00 89.11 C +ATOM 75 CG TRP A 12 -14.322 0.645 8.069 1.00 83.71 C +ATOM 76 CD1 TRP A 12 -14.872 1.770 8.599 1.00 83.40 C +ATOM 77 CD2 TRP A 12 -13.542 0.054 9.110 1.00 82.82 C +ATOM 78 NE1 TRP A 12 -14.482 1.932 9.907 1.00 75.16 N +ATOM 79 CE2 TRP A 12 -13.662 0.891 10.252 1.00 79.98 C +ATOM 80 CE3 TRP A 12 -12.752 -1.087 9.204 1.00 76.53 C +ATOM 81 CZ2 TRP A 12 -13.019 0.614 11.457 1.00 84.04 C +ATOM 82 CZ3 TRP A 12 -12.112 -1.364 10.397 1.00 75.46 C +ATOM 83 CH2 TRP A 12 -12.245 -0.522 11.508 1.00 72.95 C +ATOM 84 N GLY A 13 -11.206 0.974 6.563 1.00 93.01 N +ATOM 85 CA GLY A 13 -9.922 0.503 7.028 1.00 92.04 C +ATOM 86 C GLY A 13 -8.792 1.374 6.543 1.00 92.43 C +ATOM 87 O GLY A 13 -9.001 2.310 5.764 1.00 92.54 O +ATOM 88 N PRO A 14 -7.593 1.079 7.006 1.00 93.72 N +ATOM 89 CA PRO A 14 -6.430 1.876 6.656 1.00 93.15 C +ATOM 90 C PRO A 14 -5.999 1.650 5.219 1.00 93.01 C +ATOM 91 O PRO A 14 -6.429 0.708 4.563 1.00 91.74 O +ATOM 92 CB PRO A 14 -5.367 1.388 7.637 1.00 91.75 C +ATOM 93 CG PRO A 14 -5.742 -0.023 7.881 1.00 91.09 C +ATOM 94 CD PRO A 14 -7.247 -0.037 7.881 1.00 92.18 C +HETATM 95 N HYP A 15 -5.159 2.538 4.793 1.00 90.25 N +HETATM 96 CA HYP A 15 -4.546 2.345 3.484 1.00 92.05 C +HETATM 97 C HYP A 15 -3.800 1.059 3.405 1.00 92.75 C +HETATM 98 O HYP A 15 -3.352 0.533 4.451 1.00 92.51 O +HETATM 99 CB HYP A 15 -3.606 3.578 3.468 1.00 86.94 C +HETATM 100 CG HYP A 15 -4.265 4.589 4.397 1.00 86.18 C +HETATM 101 CD HYP A 15 -4.812 3.738 5.477 1.00 91.67 C +HETATM 102 OD1 HYP A 15 -5.311 5.248 3.732 1.00 88.41 O +ATOM 103 N GLY A 16 -3.686 0.519 2.235 1.00 93.82 N +ATOM 104 CA GLY A 16 -2.929 -0.684 2.046 1.00 93.49 C +ATOM 105 C GLY A 16 -1.460 -0.461 2.321 1.00 94.32 C +ATOM 106 O GLY A 16 -1.004 0.673 2.483 1.00 94.20 O +ATOM 107 N PRO A 17 -0.708 -1.558 2.380 1.00 93.74 N +ATOM 108 CA PRO A 17 0.714 -1.437 2.635 1.00 93.45 C +ATOM 109 C PRO A 17 1.444 -0.843 1.448 1.00 94.12 C +ATOM 110 O PRO A 17 0.947 -0.852 0.331 1.00 93.15 O +ATOM 111 CB PRO A 17 1.145 -2.879 2.897 1.00 91.69 C +ATOM 112 CG PRO A 17 0.167 -3.687 2.140 1.00 90.76 C +ATOM 113 CD PRO A 17 -1.131 -2.943 2.209 1.00 92.53 C +HETATM 114 N HYP A 18 2.631 -0.319 1.704 1.00 89.05 N +HETATM 115 CA HYP A 18 3.443 0.176 0.658 1.00 93.89 C +HETATM 116 C HYP A 18 3.771 -0.882 -0.340 1.00 91.17 C +HETATM 117 O HYP A 18 3.901 -2.071 0.014 1.00 92.94 O +HETATM 118 CB HYP A 18 4.687 0.657 1.374 1.00 86.62 C +HETATM 119 CG HYP A 18 4.203 0.967 2.761 1.00 87.68 C +HETATM 120 CD HYP A 18 3.199 -0.126 2.994 1.00 91.79 C +HETATM 121 OD1 HYP A 18 3.547 2.227 2.768 1.00 88.02 O +ATOM 122 N GLY A 19 3.886 -0.504 -1.573 1.00 91.73 N +ATOM 123 CA GLY A 19 4.281 -1.413 -2.610 1.00 91.28 C +ATOM 124 C GLY A 19 5.730 -1.821 -2.456 1.00 91.31 C +ATOM 125 O GLY A 19 6.472 -1.259 -1.656 1.00 92.34 O +ATOM 126 N PRO A 20 6.134 -2.819 -3.222 1.00 85.90 N +ATOM 127 CA PRO A 20 7.510 -3.278 -3.149 1.00 85.85 C +ATOM 128 C PRO A 20 8.464 -2.274 -3.768 1.00 84.94 C +ATOM 129 O PRO A 20 8.059 -1.381 -4.506 1.00 85.44 O +ATOM 130 CB PRO A 20 7.482 -4.583 -3.942 1.00 83.59 C +ATOM 131 CG PRO A 20 6.382 -4.380 -4.913 1.00 80.87 C +ATOM 132 CD PRO A 20 5.348 -3.551 -4.202 1.00 82.70 C +HETATM 133 N HYP A 21 9.746 -2.405 -3.434 1.00 83.68 N +HETATM 134 CA HYP A 21 10.738 -1.604 -4.039 1.00 85.87 C +HETATM 135 C HYP A 21 10.756 -1.691 -5.541 1.00 83.67 C +HETATM 136 O HYP A 21 10.490 -2.771 -6.085 1.00 91.71 O +HETATM 137 CB HYP A 21 12.051 -2.118 -3.428 1.00 83.22 C +HETATM 138 CG HYP A 21 11.625 -2.634 -2.096 1.00 77.70 C +HETATM 139 CD HYP A 21 10.298 -3.241 -2.374 1.00 85.86 C +HETATM 140 OD1 HYP A 21 11.422 -1.531 -1.204 1.00 85.96 O +ATOM 141 N GLY A 22 10.923 -0.553 -6.198 1.00 88.03 N +ATOM 142 CA GLY A 22 10.961 -0.505 -7.628 1.00 85.16 C +ATOM 143 C GLY A 22 12.212 -1.174 -8.169 1.00 84.03 C +ATOM 144 O GLY A 22 13.057 -1.652 -7.414 1.00 83.78 O +ATOM 145 N PRO A 23 12.353 -1.205 -9.489 1.00 89.62 N +ATOM 146 CA PRO A 23 13.518 -1.835 -10.093 1.00 88.56 C +ATOM 147 C PRO A 23 14.782 -1.059 -9.776 1.00 87.43 C +ATOM 148 O PRO A 23 14.744 0.124 -9.466 1.00 83.65 O +ATOM 149 CB PRO A 23 13.200 -1.825 -11.582 1.00 85.10 C +ATOM 150 CG PRO A 23 12.270 -0.684 -11.745 1.00 84.04 C +ATOM 151 CD PRO A 23 11.459 -0.635 -10.479 1.00 86.76 C +HETATM 152 N HYP A 24 15.873 -1.668 -9.828 1.00 90.45 N +HETATM 153 CA HYP A 24 17.133 -1.005 -9.540 1.00 85.63 C +HETATM 154 C HYP A 24 17.161 0.394 -9.940 1.00 88.37 C +HETATM 155 O HYP A 24 17.711 0.780 -10.984 1.00 85.06 O +HETATM 156 CB HYP A 24 18.155 -1.864 -10.232 1.00 86.08 C +HETATM 157 CG HYP A 24 17.522 -3.185 -10.475 1.00 86.79 C +HETATM 158 CD HYP A 24 16.049 -2.909 -10.528 1.00 90.08 C +HETATM 159 OD1 HYP A 24 17.740 -4.064 -9.378 1.00 85.29 O +HETATM 160 OXT HYP A 24 16.632 1.188 -9.146 1.00 80.16 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_588.txt b/protein_pdb_588.txt new file mode 100644 index 0000000000000000000000000000000000000000..5e075f2abd74bd677f4bea7848906cb6b174157b --- /dev/null +++ b/protein_pdb_588.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 8.705 -11.326 -10.486 1.00 89.30 N +ATOM 2 CA GLY A 1 7.744 -10.355 -10.900 1.00 90.32 C +ATOM 3 C GLY A 1 7.898 -9.011 -10.221 1.00 91.71 C +ATOM 4 O GLY A 1 8.671 -8.863 -9.277 1.00 90.14 O +ATOM 5 N PRO A 2 7.156 -8.076 -10.672 1.00 86.80 N +ATOM 6 CA PRO A 2 7.214 -6.735 -10.120 1.00 88.88 C +ATOM 7 C PRO A 2 6.488 -6.631 -8.795 1.00 88.84 C +ATOM 8 O PRO A 2 5.767 -7.545 -8.387 1.00 86.31 O +ATOM 9 CB PRO A 2 6.512 -5.908 -11.196 1.00 85.55 C +ATOM 10 CG PRO A 2 5.532 -6.856 -11.780 1.00 82.02 C +ATOM 11 CD PRO A 2 6.197 -8.195 -11.761 1.00 84.43 C +HETATM 12 N HYP A 3 6.698 -5.509 -8.164 1.00 90.88 N +HETATM 13 CA HYP A 3 5.971 -5.265 -6.922 1.00 88.88 C +HETATM 14 C HYP A 3 4.475 -5.265 -7.126 1.00 92.87 C +HETATM 15 O HYP A 3 3.994 -4.929 -8.217 1.00 92.75 O +HETATM 16 CB HYP A 3 6.475 -3.851 -6.530 1.00 87.34 C +HETATM 17 CG HYP A 3 7.864 -3.776 -7.157 1.00 82.75 C +HETATM 18 CD HYP A 3 7.677 -4.539 -8.482 1.00 87.06 C +HETATM 19 OD1 HYP A 3 8.739 -4.475 -6.332 1.00 87.77 O +ATOM 20 N GLY A 4 3.783 -5.716 -6.144 1.00 93.32 N +ATOM 21 CA GLY A 4 2.347 -5.699 -6.184 1.00 93.08 C +ATOM 22 C GLY A 4 1.807 -4.277 -6.156 1.00 93.90 C +ATOM 23 O GLY A 4 2.547 -3.315 -5.952 1.00 94.31 O +ATOM 24 N PRO A 5 0.513 -4.142 -6.362 1.00 91.71 N +ATOM 25 CA PRO A 5 -0.099 -2.828 -6.358 1.00 92.08 C +ATOM 26 C PRO A 5 -0.121 -2.220 -4.964 1.00 91.93 C +ATOM 27 O PRO A 5 0.011 -2.920 -3.965 1.00 90.79 O +ATOM 28 CB PRO A 5 -1.510 -3.097 -6.867 1.00 90.47 C +ATOM 29 CG PRO A 5 -1.774 -4.503 -6.470 1.00 88.18 C +ATOM 30 CD PRO A 5 -0.457 -5.212 -6.571 1.00 90.90 C +HETATM 31 N HYP A 6 -0.274 -0.893 -4.934 1.00 91.65 N +HETATM 32 CA HYP A 6 -0.444 -0.230 -3.668 1.00 93.49 C +HETATM 33 C HYP A 6 -1.616 -0.738 -2.889 1.00 92.49 C +HETATM 34 O HYP A 6 -2.628 -1.197 -3.479 1.00 93.29 O +HETATM 35 CB HYP A 6 -0.671 1.231 -4.087 1.00 86.20 C +HETATM 36 CG HYP A 6 0.035 1.339 -5.411 1.00 84.61 C +HETATM 37 CD HYP A 6 -0.259 0.002 -6.034 1.00 89.02 C +HETATM 38 OD1 HYP A 6 1.414 1.481 -5.205 1.00 88.87 O +ATOM 39 N GLY A 7 -1.484 -0.773 -1.615 1.00 92.31 N +ATOM 40 CA GLY A 7 -2.570 -1.154 -0.762 1.00 91.89 C +ATOM 41 C GLY A 7 -3.737 -0.197 -0.883 1.00 92.02 C +ATOM 42 O GLY A 7 -3.629 0.889 -1.465 1.00 91.74 O +ATOM 43 N PRO A 8 -4.864 -0.595 -0.353 1.00 92.22 N +ATOM 44 CA PRO A 8 -6.045 0.263 -0.414 1.00 92.36 C +ATOM 45 C PRO A 8 -5.854 1.540 0.375 1.00 92.54 C +ATOM 46 O PRO A 8 -5.114 1.580 1.355 1.00 91.14 O +ATOM 47 CB PRO A 8 -7.151 -0.582 0.204 1.00 90.56 C +ATOM 48 CG PRO A 8 -6.598 -1.933 0.371 1.00 89.02 C +ATOM 49 CD PRO A 8 -5.114 -1.836 0.362 1.00 91.17 C +HETATM 50 N HYP A 9 -6.574 2.591 -0.039 1.00 90.97 N +HETATM 51 CA HYP A 9 -6.561 3.812 0.696 1.00 90.88 C +HETATM 52 C HYP A 9 -7.165 3.597 2.052 1.00 92.27 C +HETATM 53 O HYP A 9 -8.142 2.849 2.234 1.00 92.44 O +HETATM 54 CB HYP A 9 -7.542 4.713 -0.089 1.00 88.16 C +HETATM 55 CG HYP A 9 -7.595 4.145 -1.435 1.00 84.74 C +HETATM 56 CD HYP A 9 -7.383 2.696 -1.252 1.00 88.95 C +HETATM 57 OD1 HYP A 9 -6.500 4.677 -2.166 1.00 85.30 O +ATOM 58 N GLY A 10 -6.640 4.176 3.049 1.00 93.21 N +ATOM 59 CA GLY A 10 -7.308 4.239 4.323 1.00 91.28 C +ATOM 60 C GLY A 10 -8.489 5.190 4.235 1.00 91.21 C +ATOM 61 O GLY A 10 -8.615 5.974 3.298 1.00 90.17 O +ATOM 62 N SER A 11 -9.341 5.120 5.213 1.00 93.57 N +ATOM 63 CA SER A 11 -10.431 6.079 5.274 1.00 93.45 C +ATOM 64 C SER A 11 -9.914 7.499 5.485 1.00 93.87 C +ATOM 65 O SER A 11 -10.634 8.470 5.244 1.00 91.39 O +ATOM 66 CB SER A 11 -11.402 5.711 6.387 1.00 90.01 C +ATOM 67 OG SER A 11 -10.758 5.738 7.633 1.00 83.34 O +ATOM 68 N TRP A 12 -8.664 7.584 5.917 1.00 91.45 N +ATOM 69 CA TRP A 12 -8.008 8.842 6.260 1.00 92.05 C +ATOM 70 C TRP A 12 -6.902 9.236 5.294 1.00 91.92 C +ATOM 71 O TRP A 12 -6.550 10.414 5.236 1.00 88.95 O +ATOM 72 CB TRP A 12 -7.398 8.706 7.655 1.00 90.93 C +ATOM 73 CG TRP A 12 -6.370 7.606 7.726 1.00 85.02 C +ATOM 74 CD1 TRP A 12 -6.614 6.288 7.959 1.00 84.98 C +ATOM 75 CD2 TRP A 12 -4.964 7.725 7.530 1.00 85.27 C +ATOM 76 NE1 TRP A 12 -5.443 5.564 7.908 1.00 77.54 N +ATOM 77 CE2 TRP A 12 -4.410 6.424 7.643 1.00 82.44 C +ATOM 78 CE3 TRP A 12 -4.109 8.799 7.257 1.00 78.54 C +ATOM 79 CZ2 TRP A 12 -3.046 6.182 7.499 1.00 85.29 C +ATOM 80 CZ3 TRP A 12 -2.751 8.560 7.110 1.00 77.31 C +ATOM 81 CH2 TRP A 12 -2.237 7.266 7.230 1.00 75.38 C +ATOM 82 N GLY A 13 -6.311 8.290 4.617 1.00 94.82 N +ATOM 83 CA GLY A 13 -5.022 8.579 4.037 1.00 94.24 C +ATOM 84 C GLY A 13 -4.646 7.740 2.839 1.00 94.93 C +ATOM 85 O GLY A 13 -5.494 7.152 2.173 1.00 94.80 O +ATOM 86 N PRO A 14 -3.363 7.729 2.554 1.00 95.52 N +ATOM 87 CA PRO A 14 -2.855 7.229 1.284 1.00 95.47 C +ATOM 88 C PRO A 14 -2.899 5.717 1.172 1.00 95.61 C +ATOM 89 O PRO A 14 -3.097 5.001 2.149 1.00 94.81 O +ATOM 90 CB PRO A 14 -1.413 7.728 1.260 1.00 94.41 C +ATOM 91 CG PRO A 14 -1.039 7.782 2.695 1.00 92.86 C +ATOM 92 CD PRO A 14 -2.282 8.231 3.411 1.00 94.00 C +HETATM 93 N HYP A 15 -2.685 5.288 -0.021 1.00 93.09 N +HETATM 94 CA HYP A 15 -2.548 3.888 -0.297 1.00 94.67 C +HETATM 95 C HYP A 15 -1.412 3.269 0.455 1.00 94.78 C +HETATM 96 O HYP A 15 -0.427 3.957 0.802 1.00 93.93 O +HETATM 97 CB HYP A 15 -2.238 3.914 -1.815 1.00 90.02 C +HETATM 98 CG HYP A 15 -2.862 5.205 -2.307 1.00 85.60 C +HETATM 99 CD HYP A 15 -2.615 6.160 -1.175 1.00 91.99 C +HETATM 100 OD1 HYP A 15 -4.233 5.022 -2.486 1.00 88.95 O +ATOM 101 N GLY A 16 -1.519 2.040 0.731 1.00 94.90 N +ATOM 102 CA GLY A 16 -0.418 1.325 1.305 1.00 94.35 C +ATOM 103 C GLY A 16 0.721 1.171 0.317 1.00 94.61 C +ATOM 104 O GLY A 16 0.600 1.526 -0.859 1.00 94.38 O +ATOM 105 N PRO A 17 1.820 0.647 0.788 1.00 93.64 N +ATOM 106 CA PRO A 17 2.974 0.461 -0.079 1.00 93.69 C +ATOM 107 C PRO A 17 2.732 -0.650 -1.092 1.00 94.03 C +ATOM 108 O PRO A 17 1.831 -1.466 -0.933 1.00 92.81 O +ATOM 109 CB PRO A 17 4.092 0.102 0.894 1.00 92.14 C +ATOM 110 CG PRO A 17 3.390 -0.518 2.045 1.00 90.02 C +ATOM 111 CD PRO A 17 2.069 0.174 2.151 1.00 91.79 C +HETATM 112 N HYP A 18 3.572 -0.635 -2.138 1.00 88.27 N +HETATM 113 CA HYP A 18 3.501 -1.712 -3.063 1.00 89.68 C +HETATM 114 C HYP A 18 3.724 -3.039 -2.435 1.00 90.46 C +HETATM 115 O HYP A 18 4.466 -3.146 -1.430 1.00 91.75 O +HETATM 116 CB HYP A 18 4.589 -1.357 -4.082 1.00 83.36 C +HETATM 117 CG HYP A 18 4.707 0.151 -3.999 1.00 83.12 C +HETATM 118 CD HYP A 18 4.499 0.397 -2.525 1.00 88.33 C +HETATM 119 OD1 HYP A 18 3.663 0.743 -4.734 1.00 86.06 O +ATOM 120 N GLY A 19 3.100 -4.027 -2.948 1.00 88.32 N +ATOM 121 CA GLY A 19 3.324 -5.370 -2.491 1.00 88.25 C +ATOM 122 C GLY A 19 4.731 -5.835 -2.811 1.00 88.31 C +ATOM 123 O GLY A 19 5.478 -5.169 -3.527 1.00 90.32 O +ATOM 124 N PRO A 20 5.082 -6.983 -2.288 1.00 84.40 N +ATOM 125 CA PRO A 20 6.413 -7.511 -2.533 1.00 85.66 C +ATOM 126 C PRO A 20 6.575 -7.958 -3.975 1.00 85.02 C +ATOM 127 O PRO A 20 5.600 -8.168 -4.684 1.00 86.56 O +ATOM 128 CB PRO A 20 6.501 -8.692 -1.573 1.00 83.96 C +ATOM 129 CG PRO A 20 5.095 -9.113 -1.394 1.00 81.34 C +ATOM 130 CD PRO A 20 4.271 -7.864 -1.470 1.00 84.31 C +HETATM 131 N HYP A 21 7.836 -8.064 -4.380 1.00 89.06 N +HETATM 132 CA HYP A 21 8.102 -8.588 -5.687 1.00 85.19 C +HETATM 133 C HYP A 21 7.512 -9.943 -5.914 1.00 86.07 C +HETATM 134 O HYP A 21 7.476 -10.743 -4.987 1.00 91.43 O +HETATM 135 CB HYP A 21 9.611 -8.598 -5.791 1.00 82.77 C +HETATM 136 CG HYP A 21 10.077 -7.567 -4.812 1.00 77.46 C +HETATM 137 CD HYP A 21 9.054 -7.661 -3.708 1.00 85.93 C +HETATM 138 OD1 HYP A 21 9.971 -6.292 -5.434 1.00 80.48 O +ATOM 139 N GLY A 22 6.971 -10.152 -7.063 1.00 89.04 N +ATOM 140 CA GLY A 22 6.484 -11.443 -7.435 1.00 87.17 C +ATOM 141 C GLY A 22 7.625 -12.437 -7.572 1.00 86.72 C +ATOM 142 O GLY A 22 8.793 -12.075 -7.497 1.00 87.42 O +ATOM 143 N PRO A 23 7.294 -13.697 -7.801 1.00 88.30 N +ATOM 144 CA PRO A 23 8.328 -14.712 -7.940 1.00 88.69 C +ATOM 145 C PRO A 23 9.002 -14.582 -9.299 1.00 86.92 C +ATOM 146 O PRO A 23 8.428 -14.951 -10.319 1.00 83.37 O +ATOM 147 CB PRO A 23 7.551 -16.018 -7.798 1.00 85.27 C +ATOM 148 CG PRO A 23 6.175 -15.671 -8.241 1.00 82.22 C +ATOM 149 CD PRO A 23 5.956 -14.222 -7.908 1.00 86.75 C +HETATM 150 N HYP A 24 10.044 -13.915 -9.387 1.00 92.19 N +HETATM 151 CA HYP A 24 10.610 -13.181 -10.568 1.00 86.92 C +HETATM 152 C HYP A 24 9.988 -12.053 -11.051 1.00 91.78 C +HETATM 153 O HYP A 24 9.767 -11.979 -12.356 1.00 90.00 O +HETATM 154 CB HYP A 24 12.079 -13.204 -10.279 1.00 84.47 C +HETATM 155 CG HYP A 24 12.256 -14.527 -9.539 1.00 84.37 C +HETATM 156 CD HYP A 24 10.922 -14.740 -8.784 1.00 87.15 C +HETATM 157 OD1 HYP A 24 13.316 -14.480 -8.623 1.00 87.66 O +HETATM 158 OXT HYP A 24 10.583 -10.831 -10.805 1.00 85.62 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_589.txt b/protein_pdb_589.txt new file mode 100644 index 0000000000000000000000000000000000000000..e6a9fbbe32fc59b465707fa65a3cb4b5fd4874e4 --- /dev/null +++ b/protein_pdb_589.txt @@ -0,0 +1,166 @@ +ATOM 1 N GLY A 1 4.150 19.645 33.144 1.00 82.70 N +ATOM 2 CA GLY A 1 4.264 18.217 32.854 1.00 84.02 C +ATOM 3 C GLY A 1 5.172 17.958 31.677 1.00 84.31 C +ATOM 4 O GLY A 1 5.564 18.897 30.973 1.00 83.23 O +ATOM 5 N PRO A 2 5.536 16.709 31.434 1.00 85.70 N +ATOM 6 CA PRO A 2 6.424 16.366 30.318 1.00 88.36 C +ATOM 7 C PRO A 2 5.722 16.538 28.978 1.00 88.33 C +ATOM 8 O PRO A 2 4.500 16.609 28.906 1.00 88.22 O +ATOM 9 CB PRO A 2 6.781 14.902 30.574 1.00 87.06 C +ATOM 10 CG PRO A 2 5.603 14.383 31.316 1.00 82.79 C +ATOM 11 CD PRO A 2 5.141 15.529 32.184 1.00 83.79 C +HETATM 12 N HYP A 3 6.499 16.657 27.972 1.00 78.09 N +HETATM 13 CA HYP A 3 5.962 16.687 26.574 1.00 86.36 C +HETATM 14 C HYP A 3 5.065 15.502 26.259 1.00 79.45 C +HETATM 15 O HYP A 3 5.274 14.404 26.815 1.00 84.58 O +HETATM 16 CB HYP A 3 7.237 16.627 25.744 1.00 82.23 C +HETATM 17 CG HYP A 3 8.332 17.155 26.634 1.00 79.83 C +HETATM 18 CD HYP A 3 7.902 16.650 28.014 1.00 84.46 C +HETATM 19 OD1 HYP A 3 8.347 18.545 26.634 1.00 82.29 O +ATOM 20 N GLY A 4 4.083 15.721 25.396 1.00 86.94 N +ATOM 21 CA GLY A 4 3.218 14.653 24.966 1.00 86.08 C +ATOM 22 C GLY A 4 3.960 13.641 24.109 1.00 86.03 C +ATOM 23 O GLY A 4 5.086 13.897 23.660 1.00 85.11 O +ATOM 24 N PRO A 5 3.349 12.503 23.851 1.00 86.12 N +ATOM 25 CA PRO A 5 4.000 11.465 23.051 1.00 87.68 C +ATOM 26 C PRO A 5 4.070 11.858 21.582 1.00 87.33 C +ATOM 27 O PRO A 5 3.329 12.718 21.119 1.00 86.89 O +ATOM 28 CB PRO A 5 3.118 10.240 23.271 1.00 86.06 C +ATOM 29 CG PRO A 5 1.774 10.825 23.526 1.00 82.95 C +ATOM 30 CD PRO A 5 2.030 12.094 24.306 1.00 84.05 C +HETATM 31 N HYP A 6 4.973 11.235 20.851 1.00 83.25 N +HETATM 32 CA HYP A 6 4.997 11.404 19.392 1.00 89.96 C +HETATM 33 C HYP A 6 3.701 11.010 18.727 1.00 83.46 C +HETATM 34 O HYP A 6 2.984 10.137 19.234 1.00 83.92 O +HETATM 35 CB HYP A 6 6.132 10.420 18.974 1.00 85.09 C +HETATM 36 CG HYP A 6 6.984 10.252 20.181 1.00 83.30 C +HETATM 37 CD HYP A 6 5.994 10.354 21.296 1.00 83.36 C +HETATM 38 OD1 HYP A 6 7.935 11.280 20.284 1.00 83.94 O +ATOM 39 N GLY A 7 3.397 11.618 17.586 1.00 89.13 N +ATOM 40 CA GLY A 7 2.219 11.282 16.829 1.00 88.47 C +ATOM 41 C GLY A 7 2.282 9.860 16.291 1.00 88.54 C +ATOM 42 O GLY A 7 3.340 9.230 16.295 1.00 87.71 O +ATOM 43 N PRO A 8 1.162 9.356 15.819 1.00 81.83 N +ATOM 44 CA PRO A 8 1.133 7.991 15.305 1.00 84.27 C +ATOM 45 C PRO A 8 1.861 7.871 13.977 1.00 83.33 C +ATOM 46 O PRO A 8 2.028 8.849 13.251 1.00 82.92 O +ATOM 47 CB PRO A 8 -0.359 7.692 15.159 1.00 82.70 C +ATOM 48 CG PRO A 8 -0.952 9.036 14.904 1.00 80.78 C +ATOM 49 CD PRO A 8 -0.145 9.994 15.746 1.00 82.34 C +HETATM 50 N HYP A 9 2.284 6.664 13.611 1.00 80.99 N +HETATM 51 CA HYP A 9 2.872 6.403 12.348 1.00 84.06 C +HETATM 52 C HYP A 9 1.917 6.628 11.223 1.00 83.45 C +HETATM 53 O HYP A 9 0.731 6.372 11.331 1.00 82.56 O +HETATM 54 CB HYP A 9 3.210 4.908 12.426 1.00 83.83 C +HETATM 55 CG HYP A 9 3.288 4.598 13.864 1.00 82.14 C +HETATM 56 CD HYP A 9 2.293 5.525 14.445 1.00 83.36 C +HETATM 57 OD1 HYP A 9 4.565 4.889 14.373 1.00 81.23 O +ATOM 58 N GLY A 10 2.429 7.137 10.084 1.00 84.34 N +ATOM 59 CA GLY A 10 1.613 7.331 8.914 1.00 82.37 C +ATOM 60 C GLY A 10 1.283 6.001 8.248 1.00 81.94 C +ATOM 61 O GLY A 10 1.816 4.955 8.608 1.00 81.37 O +ATOM 62 N PRO A 11 0.420 6.020 7.231 1.00 82.28 N +ATOM 63 CA PRO A 11 0.091 4.780 6.520 1.00 85.75 C +ATOM 64 C PRO A 11 1.299 4.240 5.774 1.00 85.81 C +ATOM 65 O PRO A 11 2.186 4.992 5.362 1.00 82.05 O +ATOM 66 CB PRO A 11 -1.001 5.196 5.533 1.00 82.97 C +ATOM 67 CG PRO A 11 -1.494 6.509 6.035 1.00 79.34 C +ATOM 68 CD PRO A 11 -0.329 7.153 6.720 1.00 78.95 C +ATOM 69 N GLY A 12 1.319 2.938 5.595 1.00 82.95 N +ATOM 70 CA GLY A 12 2.378 2.315 4.824 1.00 81.28 C +ATOM 71 C GLY A 12 2.230 2.641 3.349 1.00 81.76 C +ATOM 72 O GLY A 12 1.217 3.204 2.926 1.00 80.43 O +ATOM 73 N PRO A 13 3.242 2.298 2.535 1.00 84.30 N +ATOM 74 CA PRO A 13 3.181 2.585 1.101 1.00 86.49 C +ATOM 75 C PRO A 13 2.164 1.704 0.393 1.00 85.84 C +ATOM 76 O PRO A 13 1.775 0.657 0.895 1.00 83.92 O +ATOM 77 CB PRO A 13 4.600 2.297 0.616 1.00 85.25 C +ATOM 78 CG PRO A 13 5.103 1.271 1.565 1.00 83.09 C +ATOM 79 CD PRO A 13 4.506 1.642 2.892 1.00 83.41 C +HETATM 80 N HYP A 14 1.728 2.098 -0.779 1.00 83.75 N +HETATM 81 CA HYP A 14 0.840 1.335 -1.625 1.00 79.98 C +HETATM 82 C HYP A 14 1.419 -0.039 -2.004 1.00 83.26 C +HETATM 83 O HYP A 14 2.643 -0.197 -2.139 1.00 81.34 O +HETATM 84 CB HYP A 14 0.687 2.212 -2.812 1.00 78.24 C +HETATM 85 CG HYP A 14 0.904 3.551 -2.288 1.00 74.94 C +HETATM 86 CD HYP A 14 1.959 3.333 -1.274 1.00 82.54 C +HETATM 87 OD1 HYP A 14 -0.255 4.051 -1.664 1.00 81.32 O +ATOM 88 N GLY A 15 0.564 -0.998 -2.204 1.00 85.50 N +ATOM 89 CA GLY A 15 0.975 -2.303 -2.661 1.00 83.75 C +ATOM 90 C GLY A 15 1.437 -2.254 -4.110 1.00 84.73 C +ATOM 91 O GLY A 15 1.302 -1.230 -4.792 1.00 85.05 O +ATOM 92 N PRO A 16 1.982 -3.364 -4.610 1.00 79.84 N +ATOM 93 CA PRO A 16 2.470 -3.406 -5.983 1.00 82.58 C +ATOM 94 C PRO A 16 1.329 -3.411 -6.990 1.00 82.42 C +ATOM 95 O PRO A 16 0.192 -3.724 -6.655 1.00 82.12 O +ATOM 96 CB PRO A 16 3.272 -4.706 -6.032 1.00 81.52 C +ATOM 97 CG PRO A 16 2.607 -5.565 -5.013 1.00 78.51 C +ATOM 98 CD PRO A 16 2.205 -4.627 -3.908 1.00 78.06 C +HETATM 99 N HYP A 17 1.602 -3.099 -8.230 1.00 80.26 N +HETATM 100 CA HYP A 17 0.675 -3.164 -9.311 1.00 80.67 C +HETATM 101 C HYP A 17 0.142 -4.594 -9.568 1.00 79.57 C +HETATM 102 O HYP A 17 0.854 -5.577 -9.287 1.00 83.00 O +HETATM 103 CB HYP A 17 1.515 -2.706 -10.504 1.00 76.27 C +HETATM 104 CG HYP A 17 2.501 -1.814 -9.884 1.00 75.31 C +HETATM 105 CD HYP A 17 2.785 -2.492 -8.581 1.00 81.65 C +HETATM 106 OD1 HYP A 17 1.972 -0.554 -9.617 1.00 83.23 O +ATOM 107 N GLY A 18 -1.059 -4.673 -10.049 1.00 85.30 N +ATOM 108 CA GLY A 18 -1.639 -5.948 -10.387 1.00 83.98 C +ATOM 109 C GLY A 18 -0.921 -6.588 -11.561 1.00 84.71 C +ATOM 110 O GLY A 18 -0.060 -5.965 -12.199 1.00 84.03 O +ATOM 111 N PRO A 19 -1.265 -7.822 -11.884 1.00 81.74 N +ATOM 112 CA PRO A 19 -0.605 -8.532 -12.980 1.00 84.38 C +ATOM 113 C PRO A 19 -0.988 -7.957 -14.331 1.00 84.04 C +ATOM 114 O PRO A 19 -1.992 -7.274 -14.477 1.00 83.57 O +ATOM 115 CB PRO A 19 -1.101 -9.967 -12.810 1.00 83.06 C +ATOM 116 CG PRO A 19 -2.428 -9.807 -12.158 1.00 80.33 C +ATOM 117 CD PRO A 19 -2.272 -8.637 -11.221 1.00 80.31 C +HETATM 118 N HYP A 20 -0.214 -8.247 -15.356 1.00 83.05 N +HETATM 119 CA HYP A 20 -0.490 -7.856 -16.717 1.00 85.77 C +HETATM 120 C HYP A 20 -1.819 -8.454 -17.232 1.00 83.77 C +HETATM 121 O HYP A 20 -2.221 -9.545 -16.798 1.00 87.90 O +HETATM 122 CB HYP A 20 0.683 -8.507 -17.486 1.00 85.50 C +HETATM 123 CG HYP A 20 1.765 -8.666 -16.477 1.00 85.34 C +HETATM 124 CD HYP A 20 1.012 -8.916 -15.197 1.00 86.50 C +HETATM 125 OD1 HYP A 20 2.491 -7.456 -16.313 1.00 85.79 O +ATOM 126 N GLY A 21 -2.443 -7.733 -18.120 1.00 86.84 N +ATOM 127 CA GLY A 21 -3.648 -8.214 -18.742 1.00 86.35 C +ATOM 128 C GLY A 21 -3.361 -9.398 -19.649 1.00 86.72 C +ATOM 129 O GLY A 21 -2.202 -9.731 -19.911 1.00 85.97 O +ATOM 130 N PRO A 22 -4.402 -10.055 -20.153 1.00 86.54 N +ATOM 131 CA PRO A 22 -4.209 -11.224 -21.004 1.00 87.06 C +ATOM 132 C PRO A 22 -3.670 -10.843 -22.370 1.00 86.72 C +ATOM 133 O PRO A 22 -3.816 -9.710 -22.818 1.00 85.35 O +ATOM 134 CB PRO A 22 -5.615 -11.825 -21.100 1.00 85.26 C +ATOM 135 CG PRO A 22 -6.507 -10.643 -20.919 1.00 83.87 C +ATOM 136 CD PRO A 22 -5.802 -9.757 -19.919 1.00 84.71 C +HETATM 137 N HYP A 23 -3.056 -11.797 -23.088 1.00 88.48 N +HETATM 138 CA HYP A 23 -2.586 -11.569 -24.419 1.00 89.26 C +HETATM 139 C HYP A 23 -3.740 -11.319 -25.402 1.00 90.38 C +HETATM 140 O HYP A 23 -4.852 -11.836 -25.238 1.00 89.25 O +HETATM 141 CB HYP A 23 -1.970 -12.976 -24.781 1.00 89.59 C +HETATM 142 CG HYP A 23 -1.628 -13.614 -23.483 1.00 89.57 C +HETATM 143 CD HYP A 23 -2.698 -13.084 -22.547 1.00 90.11 C +HETATM 144 OD1 HYP A 23 -0.381 -13.177 -23.012 1.00 87.89 O +ATOM 145 N GLY A 24 -3.460 -10.490 -26.394 1.00 86.70 N +ATOM 146 CA GLY A 24 -4.435 -10.236 -27.417 1.00 85.58 C +ATOM 147 C GLY A 24 -4.651 -11.467 -28.283 1.00 85.83 C +ATOM 148 O GLY A 24 -3.899 -12.443 -28.200 1.00 84.16 O +ATOM 149 N PRO A 25 -5.660 -11.448 -29.148 1.00 84.81 N +ATOM 150 CA PRO A 25 -5.932 -12.595 -30.007 1.00 86.39 C +ATOM 151 C PRO A 25 -4.880 -12.722 -31.096 1.00 85.82 C +ATOM 152 O PRO A 25 -4.203 -11.749 -31.433 1.00 83.26 O +ATOM 153 CB PRO A 25 -7.308 -12.294 -30.581 1.00 83.86 C +ATOM 154 CG PRO A 25 -7.378 -10.809 -30.576 1.00 82.26 C +ATOM 155 CD PRO A 25 -6.623 -10.379 -29.345 1.00 83.71 C +HETATM 156 N HYP A 26 -4.746 -13.886 -31.756 1.00 88.68 N +HETATM 157 CA HYP A 26 -3.783 -13.959 -32.827 1.00 90.40 C +HETATM 158 C HYP A 26 -4.383 -13.173 -34.003 1.00 86.37 C +HETATM 159 O HYP A 26 -3.753 -12.216 -34.314 1.00 85.61 O +HETATM 160 CB HYP A 26 -3.740 -15.443 -33.266 1.00 88.07 C +HETATM 161 CG HYP A 26 -4.275 -16.196 -32.123 1.00 85.88 C +HETATM 162 CD HYP A 26 -5.198 -15.216 -31.403 1.00 89.16 C +HETATM 163 OD1 HYP A 26 -3.222 -16.507 -31.265 1.00 82.52 O +HETATM 164 OXT HYP A 26 -5.475 -13.560 -34.487 1.00 78.92 O +TER 165 HYP A 26 +END diff --git a/protein_pdb_59.txt b/protein_pdb_59.txt new file mode 100644 index 0000000000000000000000000000000000000000..29bd44d24451da0e2b74427c9e51a1ff1982a59a --- /dev/null +++ b/protein_pdb_59.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 12.451 3.775 -8.723 1.00 89.61 N +ATOM 2 CA GLY A 1 12.290 2.786 -7.713 1.00 91.24 C +ATOM 3 C GLY A 1 11.005 1.993 -7.834 1.00 91.93 C +ATOM 4 O GLY A 1 10.115 2.347 -8.605 1.00 90.17 O +ATOM 5 N PRO A 2 10.907 0.959 -7.081 1.00 89.21 N +ATOM 6 CA PRO A 2 9.726 0.115 -7.117 1.00 90.79 C +ATOM 7 C PRO A 2 8.550 0.760 -6.408 1.00 90.63 C +ATOM 8 O PRO A 2 8.694 1.760 -5.709 1.00 88.72 O +ATOM 9 CB PRO A 2 10.196 -1.142 -6.386 1.00 87.66 C +ATOM 10 CG PRO A 2 11.216 -0.636 -5.429 1.00 83.77 C +ATOM 11 CD PRO A 2 11.916 0.485 -6.146 1.00 85.87 C +HETATM 12 N HYP A 3 7.382 0.135 -6.613 1.00 91.27 N +HETATM 13 CA HYP A 3 6.219 0.618 -5.924 1.00 88.55 C +HETATM 14 C HYP A 3 6.402 0.563 -4.435 1.00 89.35 C +HETATM 15 O HYP A 3 7.123 -0.318 -3.920 1.00 91.76 O +HETATM 16 CB HYP A 3 5.117 -0.413 -6.336 1.00 86.97 C +HETATM 17 CG HYP A 3 5.579 -0.908 -7.698 1.00 84.09 C +HETATM 18 CD HYP A 3 7.110 -0.956 -7.527 1.00 87.77 C +HETATM 19 OD1 HYP A 3 5.241 0.021 -8.676 1.00 87.62 O +ATOM 20 N GLY A 4 5.815 1.536 -3.767 1.00 92.30 N +ATOM 21 CA GLY A 4 5.871 1.576 -2.335 1.00 92.15 C +ATOM 22 C GLY A 4 5.057 0.459 -1.706 1.00 92.94 C +ATOM 23 O GLY A 4 4.327 -0.267 -2.385 1.00 92.97 O +ATOM 24 N PRO A 5 5.168 0.310 -0.381 1.00 90.00 N +ATOM 25 CA PRO A 5 4.424 -0.728 0.315 1.00 91.18 C +ATOM 26 C PRO A 5 2.939 -0.397 0.379 1.00 90.91 C +ATOM 27 O PRO A 5 2.534 0.746 0.205 1.00 89.25 O +ATOM 28 CB PRO A 5 5.049 -0.726 1.703 1.00 89.16 C +ATOM 29 CG PRO A 5 5.531 0.669 1.880 1.00 86.63 C +ATOM 30 CD PRO A 5 5.975 1.117 0.524 1.00 89.41 C +HETATM 31 N HYP A 6 2.127 -1.434 0.610 1.00 92.19 N +HETATM 32 CA HYP A 6 0.729 -1.232 0.835 1.00 92.15 C +HETATM 33 C HYP A 6 0.455 -0.312 1.982 1.00 92.56 C +HETATM 34 O HYP A 6 1.238 -0.266 2.954 1.00 92.24 O +HETATM 35 CB HYP A 6 0.202 -2.650 1.158 1.00 90.64 C +HETATM 36 CG HYP A 6 1.151 -3.570 0.442 1.00 88.50 C +HETATM 37 CD HYP A 6 2.473 -2.845 0.608 1.00 90.66 C +HETATM 38 OD1 HYP A 6 0.804 -3.642 -0.919 1.00 88.74 O +ATOM 39 N GLY A 7 -0.566 0.469 1.861 1.00 91.51 N +ATOM 40 CA GLY A 7 -0.979 1.339 2.927 1.00 90.56 C +ATOM 41 C GLY A 7 -1.494 0.553 4.117 1.00 91.62 C +ATOM 42 O GLY A 7 -1.664 -0.659 4.058 1.00 91.31 O +ATOM 43 N PRO A 8 -1.748 1.242 5.221 1.00 90.82 N +ATOM 44 CA PRO A 8 -2.233 0.570 6.416 1.00 91.26 C +ATOM 45 C PRO A 8 -3.671 0.087 6.246 1.00 91.01 C +ATOM 46 O PRO A 8 -4.408 0.576 5.395 1.00 88.49 O +ATOM 47 CB PRO A 8 -2.123 1.632 7.499 1.00 89.01 C +ATOM 48 CG PRO A 8 -2.209 2.911 6.766 1.00 87.49 C +ATOM 49 CD PRO A 8 -1.579 2.677 5.421 1.00 89.92 C +HETATM 50 N HYP A 9 -4.060 -0.888 7.096 1.00 89.77 N +HETATM 51 CA HYP A 9 -5.400 -1.365 7.097 1.00 90.09 C +HETATM 52 C HYP A 9 -6.347 -0.314 7.516 1.00 91.45 C +HETATM 53 O HYP A 9 -6.028 0.570 8.321 1.00 88.45 O +HETATM 54 CB HYP A 9 -5.371 -2.481 8.172 1.00 89.19 C +HETATM 55 CG HYP A 9 -3.965 -2.919 8.256 1.00 86.00 C +HETATM 56 CD HYP A 9 -3.209 -1.665 8.013 1.00 88.95 C +HETATM 57 OD1 HYP A 9 -3.698 -3.829 7.213 1.00 88.55 O +ATOM 58 N GLY A 10 -7.535 -0.300 6.946 1.00 90.73 N +ATOM 59 CA GLY A 10 -8.600 0.556 7.400 1.00 88.93 C +ATOM 60 C GLY A 10 -9.227 -0.003 8.663 1.00 90.15 C +ATOM 61 O GLY A 10 -8.671 -0.875 9.332 1.00 88.93 O +ATOM 62 N ASP A 11 -10.406 0.485 8.995 1.00 92.04 N +ATOM 63 CA ASP A 11 -11.131 0.016 10.173 1.00 93.31 C +ATOM 64 C ASP A 11 -11.873 -1.262 9.805 1.00 93.43 C +ATOM 65 O ASP A 11 -12.949 -1.208 9.215 1.00 91.08 O +ATOM 66 CB ASP A 11 -12.089 1.092 10.655 1.00 91.15 C +ATOM 67 CG ASP A 11 -12.817 0.700 11.926 1.00 85.17 C +ATOM 68 OD1 ASP A 11 -12.624 -0.423 12.419 1.00 84.07 O +ATOM 69 OD2 ASP A 11 -13.603 1.530 12.437 1.00 82.48 O +HETATM 70 N HYP A 12 -11.394 -2.442 10.211 1.00 93.50 N +HETATM 71 CA HYP A 12 -11.651 -3.628 9.490 1.00 91.31 C +HETATM 72 C HYP A 12 -11.490 -3.608 8.082 1.00 93.88 C +HETATM 73 O HYP A 12 -12.195 -4.282 7.332 1.00 90.75 O +HETATM 74 CB HYP A 12 -11.449 -4.805 10.264 1.00 89.00 C +HETATM 75 CG HYP A 12 -11.584 -4.280 11.688 1.00 88.65 C +HETATM 76 CD HYP A 12 -11.360 -2.802 11.574 1.00 91.90 C +HETATM 77 OD1 HYP A 12 -10.638 -4.849 12.541 1.00 89.16 O +ATOM 78 N GLY A 13 -10.643 -2.799 7.510 1.00 93.11 N +ATOM 79 CA GLY A 13 -10.442 -2.662 6.086 1.00 92.59 C +ATOM 80 C GLY A 13 -9.141 -3.278 5.624 1.00 93.34 C +ATOM 81 O GLY A 13 -8.243 -3.547 6.420 1.00 92.88 O +ATOM 82 N PRO A 14 -9.039 -3.515 4.342 1.00 92.93 N +ATOM 83 CA PRO A 14 -7.840 -4.110 3.780 1.00 92.87 C +ATOM 84 C PRO A 14 -6.699 -3.115 3.705 1.00 93.11 C +ATOM 85 O PRO A 14 -6.890 -1.907 3.814 1.00 91.88 O +ATOM 86 CB PRO A 14 -8.282 -4.540 2.385 1.00 91.08 C +ATOM 87 CG PRO A 14 -9.322 -3.542 2.022 1.00 89.76 C +ATOM 88 CD PRO A 14 -10.043 -3.228 3.307 1.00 91.18 C +HETATM 89 N HYP A 15 -5.529 -3.683 3.493 1.00 93.77 N +HETATM 90 CA HYP A 15 -4.384 -2.827 3.247 1.00 93.26 C +HETATM 91 C HYP A 15 -4.607 -1.982 2.019 1.00 95.18 C +HETATM 92 O HYP A 15 -5.308 -2.394 1.077 1.00 93.85 O +HETATM 93 CB HYP A 15 -3.262 -3.863 2.954 1.00 91.61 C +HETATM 94 CG HYP A 15 -3.687 -5.116 3.692 1.00 89.44 C +HETATM 95 CD HYP A 15 -5.194 -5.108 3.531 1.00 91.61 C +HETATM 96 OD1 HYP A 15 -3.377 -5.018 5.060 1.00 89.73 O +ATOM 97 N GLY A 16 -4.087 -0.785 2.063 1.00 94.33 N +ATOM 98 CA GLY A 16 -4.172 0.089 0.926 1.00 94.45 C +ATOM 99 C GLY A 16 -3.333 -0.408 -0.230 1.00 95.14 C +ATOM 100 O GLY A 16 -2.557 -1.352 -0.095 1.00 94.95 O +ATOM 101 N PRO A 17 -3.504 0.224 -1.378 1.00 93.01 N +ATOM 102 CA PRO A 17 -2.736 -0.175 -2.546 1.00 93.45 C +ATOM 103 C PRO A 17 -1.272 0.198 -2.404 1.00 94.03 C +ATOM 104 O PRO A 17 -0.902 1.032 -1.584 1.00 92.60 O +ATOM 105 CB PRO A 17 -3.396 0.591 -3.682 1.00 91.98 C +ATOM 106 CG PRO A 17 -3.953 1.797 -3.024 1.00 90.67 C +ATOM 107 CD PRO A 17 -4.385 1.351 -1.655 1.00 92.28 C +HETATM 108 N HYP A 18 -0.439 -0.460 -3.218 1.00 92.79 N +HETATM 109 CA HYP A 18 0.926 -0.094 -3.259 1.00 94.06 C +HETATM 110 C HYP A 18 1.125 1.358 -3.605 1.00 94.87 C +HETATM 111 O HYP A 18 0.342 1.951 -4.369 1.00 93.47 O +HETATM 112 CB HYP A 18 1.492 -0.967 -4.395 1.00 92.18 C +HETATM 113 CG HYP A 18 0.583 -2.180 -4.420 1.00 89.94 C +HETATM 114 CD HYP A 18 -0.768 -1.568 -4.104 1.00 91.92 C +HETATM 115 OD1 HYP A 18 0.949 -3.090 -3.393 1.00 89.95 O +ATOM 116 N GLY A 19 2.097 1.954 -2.985 1.00 92.54 N +ATOM 117 CA GLY A 19 2.428 3.323 -3.268 1.00 92.57 C +ATOM 118 C GLY A 19 3.005 3.483 -4.659 1.00 93.34 C +ATOM 119 O GLY A 19 3.288 2.508 -5.354 1.00 93.54 O +ATOM 120 N PRO A 20 3.184 4.717 -5.071 1.00 86.70 N +ATOM 121 CA PRO A 20 3.734 4.966 -6.395 1.00 87.57 C +ATOM 122 C PRO A 20 5.205 4.601 -6.474 1.00 87.84 C +ATOM 123 O PRO A 20 5.884 4.460 -5.458 1.00 86.99 O +ATOM 124 CB PRO A 20 3.525 6.467 -6.582 1.00 85.36 C +ATOM 125 CG PRO A 20 3.522 7.005 -5.205 1.00 82.63 C +ATOM 126 CD PRO A 20 2.898 5.947 -4.341 1.00 84.64 C +HETATM 127 N HYP A 21 5.680 4.452 -7.711 1.00 90.06 N +HETATM 128 CA HYP A 21 7.051 4.189 -7.912 1.00 90.09 C +HETATM 129 C HYP A 21 7.934 5.266 -7.342 1.00 88.95 C +HETATM 130 O HYP A 21 7.547 6.449 -7.337 1.00 91.03 O +HETATM 131 CB HYP A 21 7.225 4.088 -9.407 1.00 87.35 C +HETATM 132 CG HYP A 21 5.871 3.696 -9.924 1.00 84.08 C +HETATM 133 CD HYP A 21 4.945 4.420 -8.980 1.00 88.99 C +HETATM 134 OD1 HYP A 21 5.687 2.288 -9.778 1.00 87.44 O +ATOM 135 N GLY A 22 9.015 4.854 -6.767 1.00 89.24 N +ATOM 136 CA GLY A 22 9.989 5.788 -6.271 1.00 87.55 C +ATOM 137 C GLY A 22 10.719 6.473 -7.415 1.00 87.44 C +ATOM 138 O GLY A 22 10.469 6.200 -8.590 1.00 87.02 O +ATOM 139 N PRO A 23 11.652 7.366 -7.085 1.00 87.70 N +ATOM 140 CA PRO A 23 12.398 8.076 -8.120 1.00 89.85 C +ATOM 141 C PRO A 23 13.393 7.139 -8.790 1.00 89.00 C +ATOM 142 O PRO A 23 14.357 6.704 -8.161 1.00 85.54 O +ATOM 143 CB PRO A 23 13.093 9.188 -7.340 1.00 86.91 C +ATOM 144 CG PRO A 23 13.246 8.644 -5.969 1.00 83.03 C +ATOM 145 CD PRO A 23 12.058 7.747 -5.736 1.00 86.38 C +HETATM 146 N HYP A 24 13.176 6.656 -9.921 1.00 93.47 N +HETATM 147 CA HYP A 24 13.718 5.411 -10.510 1.00 88.33 C +HETATM 148 C HYP A 24 13.628 4.200 -9.913 1.00 93.65 C +HETATM 149 O HYP A 24 14.674 3.643 -9.351 1.00 92.29 O +HETATM 150 CB HYP A 24 14.013 5.668 -11.932 1.00 87.75 C +HETATM 151 CG HYP A 24 14.207 7.196 -11.962 1.00 87.87 C +HETATM 152 CD HYP A 24 13.466 7.730 -10.694 1.00 91.58 C +HETATM 153 OD1 HYP A 24 13.659 7.756 -13.142 1.00 88.86 O +HETATM 154 OXT HYP A 24 12.956 3.183 -10.592 1.00 87.53 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_590.txt b/protein_pdb_590.txt new file mode 100644 index 0000000000000000000000000000000000000000..adb077923d8eb47f6e339a677634db305b438eee --- /dev/null +++ b/protein_pdb_590.txt @@ -0,0 +1,203 @@ +ATOM 1 N GLY A 1 -23.537 -16.227 35.609 1.00 88.67 N +ATOM 2 CA GLY A 1 -23.742 -16.640 34.215 1.00 89.61 C +ATOM 3 C GLY A 1 -22.418 -16.802 33.491 1.00 88.60 C +ATOM 4 O GLY A 1 -21.369 -16.411 34.014 1.00 84.38 O +ATOM 5 N GLU A 2 -22.440 -17.372 32.285 1.00 88.01 N +ATOM 6 CA GLU A 2 -21.230 -17.573 31.502 1.00 93.94 C +ATOM 7 C GLU A 2 -20.728 -16.251 30.928 1.00 93.51 C +ATOM 8 O GLU A 2 -21.496 -15.326 30.685 1.00 90.61 O +ATOM 9 CB GLU A 2 -21.478 -18.540 30.345 1.00 86.66 C +ATOM 10 CG GLU A 2 -21.651 -19.987 30.773 1.00 75.36 C +ATOM 11 CD GLU A 2 -21.704 -20.928 29.574 1.00 70.25 C +ATOM 12 OE1 GLU A 2 -22.679 -20.839 28.815 1.00 65.38 O +ATOM 13 OE2 GLU A 2 -20.763 -21.724 29.398 1.00 66.71 O +ATOM 14 N ARG A 3 -19.401 -16.169 30.693 1.00 93.45 N +ATOM 15 CA ARG A 3 -18.804 -15.001 30.062 1.00 94.26 C +ATOM 16 C ARG A 3 -19.289 -14.916 28.621 1.00 93.89 C +ATOM 17 O ARG A 3 -19.476 -15.937 27.958 1.00 91.43 O +ATOM 18 CB ARG A 3 -17.273 -15.102 30.103 1.00 88.50 C +ATOM 19 CG ARG A 3 -16.557 -13.938 29.441 1.00 80.49 C +ATOM 20 CD ARG A 3 -15.041 -14.108 29.488 1.00 78.42 C +ATOM 21 NE ARG A 3 -14.524 -14.077 30.850 1.00 73.16 N +ATOM 22 CZ ARG A 3 -13.255 -14.263 31.166 1.00 68.97 C +ATOM 23 NH1 ARG A 3 -12.350 -14.497 30.228 1.00 65.51 N +ATOM 24 NH2 ARG A 3 -12.877 -14.212 32.430 1.00 63.68 N +ATOM 25 N GLY A 4 -19.462 -13.698 28.118 1.00 94.94 N +ATOM 26 CA GLY A 4 -19.889 -13.497 26.746 1.00 94.52 C +ATOM 27 C GLY A 4 -18.820 -13.895 25.744 1.00 94.33 C +ATOM 28 O GLY A 4 -17.673 -14.159 26.124 1.00 94.21 O +ATOM 29 N PRO A 5 -19.150 -13.935 24.435 1.00 96.80 N +ATOM 30 CA PRO A 5 -18.190 -14.335 23.403 1.00 96.88 C +ATOM 31 C PRO A 5 -17.120 -13.282 23.195 1.00 97.22 C +ATOM 32 O PRO A 5 -17.294 -12.115 23.546 1.00 96.65 O +ATOM 33 CB PRO A 5 -19.057 -14.502 22.150 1.00 94.68 C +ATOM 34 CG PRO A 5 -20.169 -13.533 22.368 1.00 92.16 C +ATOM 35 CD PRO A 5 -20.460 -13.622 23.852 1.00 94.54 C +HETATM 36 N HYP A 6 -16.023 -13.703 22.599 1.00 96.08 N +HETATM 37 CA HYP A 6 -14.941 -12.802 22.263 1.00 95.99 C +HETATM 38 C HYP A 6 -15.382 -11.712 21.249 1.00 95.06 C +HETATM 39 O HYP A 6 -16.265 -11.958 20.423 1.00 95.70 O +HETATM 40 CB HYP A 6 -13.874 -13.731 21.611 1.00 95.41 C +HETATM 41 CG HYP A 6 -14.164 -15.084 22.209 1.00 94.86 C +HETATM 42 CD HYP A 6 -15.667 -15.106 22.371 1.00 95.84 C +HETATM 43 OD1 HYP A 6 -13.511 -15.271 23.423 1.00 94.69 O +ATOM 44 N GLY A 7 -14.746 -10.537 21.357 1.00 95.80 N +ATOM 45 CA GLY A 7 -15.068 -9.462 20.451 1.00 95.23 C +ATOM 46 C GLY A 7 -14.635 -9.783 19.025 1.00 95.26 C +ATOM 47 O GLY A 7 -13.865 -10.717 18.784 1.00 94.98 O +ATOM 48 N LEU A 8 -15.134 -8.977 18.063 1.00 94.39 N +ATOM 49 CA LEU A 8 -14.789 -9.155 16.658 1.00 93.78 C +ATOM 50 C LEU A 8 -13.319 -8.829 16.404 1.00 93.40 C +ATOM 51 O LEU A 8 -12.720 -8.008 17.101 1.00 92.28 O +ATOM 52 CB LEU A 8 -15.660 -8.260 15.776 1.00 90.50 C +ATOM 53 CG LEU A 8 -17.166 -8.543 15.799 1.00 82.68 C +ATOM 54 CD1 LEU A 8 -17.893 -7.494 14.982 1.00 81.00 C +ATOM 55 CD2 LEU A 8 -17.459 -9.937 15.264 1.00 78.79 C +ATOM 56 N ALA A 9 -12.736 -9.461 15.363 1.00 94.70 N +ATOM 57 CA ALA A 9 -11.353 -9.194 14.983 1.00 94.79 C +ATOM 58 C ALA A 9 -11.225 -7.768 14.477 1.00 94.85 C +ATOM 59 O ALA A 9 -12.171 -7.199 13.922 1.00 93.40 O +ATOM 60 CB ALA A 9 -10.900 -10.173 13.904 1.00 91.31 C +ATOM 61 N GLY A 10 -10.037 -7.175 14.662 1.00 96.19 N +ATOM 62 CA GLY A 10 -9.794 -5.827 14.197 1.00 95.44 C +ATOM 63 C GLY A 10 -9.741 -5.743 12.684 1.00 95.35 C +ATOM 64 O GLY A 10 -9.583 -6.749 11.990 1.00 95.29 O +ATOM 65 N ALA A 11 -9.868 -4.523 12.158 1.00 96.70 N +ATOM 66 CA ALA A 11 -9.836 -4.282 10.724 1.00 96.67 C +ATOM 67 C ALA A 11 -8.431 -4.475 10.174 1.00 96.78 C +ATOM 68 O ALA A 11 -7.445 -4.339 10.895 1.00 95.89 O +ATOM 69 CB ALA A 11 -10.318 -2.873 10.429 1.00 94.39 C +HETATM 70 N HYP A 12 -8.320 -4.796 8.902 1.00 97.18 N +HETATM 71 CA HYP A 12 -7.055 -4.882 8.209 1.00 97.36 C +HETATM 72 C HYP A 12 -6.277 -3.612 8.219 1.00 95.96 C +HETATM 73 O HYP A 12 -6.868 -2.531 8.258 1.00 95.88 O +HETATM 74 CB HYP A 12 -7.418 -5.293 6.732 1.00 96.48 C +HETATM 75 CG HYP A 12 -8.760 -5.951 6.865 1.00 95.12 C +HETATM 76 CD HYP A 12 -9.393 -5.227 8.012 1.00 96.04 C +HETATM 77 OD1 HYP A 12 -8.662 -7.320 7.151 1.00 94.12 O +ATOM 78 N GLY A 13 -4.946 -3.666 8.167 1.00 97.44 N +ATOM 79 CA GLY A 13 -4.098 -2.493 8.147 1.00 97.00 C +ATOM 80 C GLY A 13 -4.307 -1.661 6.890 1.00 97.27 C +ATOM 81 O GLY A 13 -4.885 -2.125 5.906 1.00 97.04 O +ATOM 82 N LEU A 14 -3.807 -0.414 6.923 1.00 96.30 N +ATOM 83 CA LEU A 14 -3.926 0.493 5.786 1.00 96.19 C +ATOM 84 C LEU A 14 -3.059 0.039 4.609 1.00 95.88 C +ATOM 85 O LEU A 14 -2.016 -0.582 4.792 1.00 95.05 O +ATOM 86 CB LEU A 14 -3.509 1.908 6.186 1.00 94.84 C +ATOM 87 CG LEU A 14 -4.360 2.576 7.269 1.00 89.33 C +ATOM 88 CD1 LEU A 14 -3.748 3.922 7.643 1.00 86.46 C +ATOM 89 CD2 LEU A 14 -5.799 2.756 6.795 1.00 84.76 C +ATOM 90 N ARG A 15 -3.493 0.375 3.382 1.00 96.78 N +ATOM 91 CA ARG A 15 -2.732 0.050 2.180 1.00 96.67 C +ATOM 92 C ARG A 15 -1.443 0.862 2.172 1.00 96.38 C +ATOM 93 O ARG A 15 -1.422 2.020 2.592 1.00 95.23 O +ATOM 94 CB ARG A 15 -3.558 0.362 0.923 1.00 94.49 C +ATOM 95 CG ARG A 15 -2.863 0.012 -0.385 1.00 89.95 C +ATOM 96 CD ARG A 15 -3.712 0.368 -1.575 1.00 86.57 C +ATOM 97 NE ARG A 15 -3.050 0.017 -2.832 1.00 80.76 N +ATOM 98 CZ ARG A 15 -3.533 0.299 -4.034 1.00 77.19 C +ATOM 99 NH1 ARG A 15 -4.678 0.942 -4.176 1.00 72.68 N +ATOM 100 NH2 ARG A 15 -2.854 -0.068 -5.108 1.00 73.20 N +ATOM 101 N GLY A 16 -0.356 0.239 1.699 1.00 96.61 N +ATOM 102 CA GLY A 16 0.918 0.929 1.613 1.00 95.99 C +ATOM 103 C GLY A 16 0.872 2.064 0.603 1.00 95.90 C +ATOM 104 O GLY A 16 0.043 2.076 -0.308 1.00 95.59 O +ATOM 105 N GLY A 17 1.768 3.032 0.768 1.00 96.36 N +ATOM 106 CA GLY A 17 1.832 4.161 -0.140 1.00 95.98 C +ATOM 107 C GLY A 17 2.444 3.797 -1.480 1.00 96.02 C +ATOM 108 O GLY A 17 3.041 2.736 -1.644 1.00 94.34 O +ATOM 109 N ALA A 18 2.312 4.698 -2.463 1.00 96.93 N +ATOM 110 CA ALA A 18 2.871 4.485 -3.793 1.00 97.18 C +ATOM 111 C ALA A 18 4.396 4.469 -3.738 1.00 97.10 C +ATOM 112 O ALA A 18 5.005 5.139 -2.903 1.00 95.48 O +ATOM 113 CB ALA A 18 2.399 5.579 -4.744 1.00 95.33 C +ATOM 114 N GLY A 19 5.016 3.703 -4.646 1.00 97.45 N +ATOM 115 CA GLY A 19 6.463 3.633 -4.723 1.00 96.96 C +ATOM 116 C GLY A 19 7.049 4.901 -5.324 1.00 97.22 C +ATOM 117 O GLY A 19 6.316 5.766 -5.798 1.00 97.41 O +ATOM 118 N PRO A 20 8.396 5.021 -5.333 1.00 97.22 N +ATOM 119 CA PRO A 20 9.059 6.203 -5.872 1.00 97.09 C +ATOM 120 C PRO A 20 8.972 6.256 -7.392 1.00 97.22 C +ATOM 121 O PRO A 20 8.756 5.246 -8.048 1.00 96.71 O +ATOM 122 CB PRO A 20 10.508 6.042 -5.411 1.00 95.53 C +ATOM 123 CG PRO A 20 10.677 4.560 -5.334 1.00 93.98 C +ATOM 124 CD PRO A 20 9.360 4.055 -4.802 1.00 96.21 C +HETATM 125 N HYP A 21 9.177 7.419 -7.974 1.00 96.56 N +HETATM 126 CA HYP A 21 9.227 7.626 -9.386 1.00 96.56 C +HETATM 127 C HYP A 21 10.322 6.819 -10.095 1.00 96.37 C +HETATM 128 O HYP A 21 11.398 6.601 -9.486 1.00 96.05 O +HETATM 129 CB HYP A 21 9.458 9.120 -9.532 1.00 95.67 C +HETATM 130 CG HYP A 21 8.887 9.696 -8.262 1.00 94.10 C +HETATM 131 CD HYP A 21 9.216 8.673 -7.232 1.00 95.69 C +HETATM 132 OD1 HYP A 21 7.490 9.860 -8.311 1.00 94.21 O +ATOM 133 N GLY A 22 10.085 6.381 -11.292 1.00 96.90 N +ATOM 134 CA GLY A 22 11.084 5.667 -12.051 1.00 96.57 C +ATOM 135 C GLY A 22 12.196 6.611 -12.495 1.00 96.92 C +ATOM 136 O GLY A 22 12.117 7.821 -12.296 1.00 97.03 O +ATOM 137 N PRO A 23 13.260 6.059 -13.124 1.00 97.34 N +ATOM 138 CA PRO A 23 14.386 6.880 -13.573 1.00 97.08 C +ATOM 139 C PRO A 23 14.000 7.767 -14.747 1.00 97.30 C +ATOM 140 O PRO A 23 13.071 7.472 -15.484 1.00 96.91 O +ATOM 141 CB PRO A 23 15.429 5.839 -13.977 1.00 95.50 C +ATOM 142 CG PRO A 23 14.612 4.670 -14.396 1.00 93.59 C +ATOM 143 CD PRO A 23 13.456 4.645 -13.429 1.00 96.26 C +HETATM 144 N HYP A 24 14.734 8.821 -14.962 1.00 96.98 N +HETATM 145 CA HYP A 24 14.543 9.728 -16.085 1.00 96.29 C +HETATM 146 C HYP A 24 14.759 9.032 -17.440 1.00 96.87 C +HETATM 147 O HYP A 24 15.584 8.103 -17.533 1.00 96.38 O +HETATM 148 CB HYP A 24 15.645 10.794 -15.853 1.00 95.64 C +HETATM 149 CG HYP A 24 15.868 10.790 -14.374 1.00 93.99 C +HETATM 150 CD HYP A 24 15.722 9.325 -13.998 1.00 95.84 C +HETATM 151 OD1 HYP A 24 14.905 11.540 -13.678 1.00 93.60 O +ATOM 152 N GLY A 25 14.038 9.484 -18.452 1.00 96.61 N +ATOM 153 CA GLY A 25 14.216 8.951 -19.779 1.00 96.37 C +ATOM 154 C GLY A 25 15.555 9.383 -20.360 1.00 96.73 C +ATOM 155 O GLY A 25 16.264 10.206 -19.772 1.00 96.75 O +ATOM 156 N PRO A 26 15.934 8.844 -21.537 1.00 96.74 N +ATOM 157 CA PRO A 26 17.208 9.176 -22.158 1.00 96.55 C +ATOM 158 C PRO A 26 17.225 10.608 -22.691 1.00 96.61 C +ATOM 159 O PRO A 26 16.188 11.186 -22.974 1.00 96.07 O +ATOM 160 CB PRO A 26 17.326 8.151 -23.288 1.00 94.81 C +ATOM 161 CG PRO A 26 15.909 7.870 -23.643 1.00 92.87 C +ATOM 162 CD PRO A 26 15.175 7.869 -22.322 1.00 95.85 C +HETATM 163 N HYP A 27 18.396 11.156 -22.868 1.00 96.37 N +HETATM 164 CA HYP A 27 18.556 12.496 -23.430 1.00 94.86 C +HETATM 165 C HYP A 27 18.056 12.573 -24.872 1.00 95.88 C +HETATM 166 O HYP A 27 18.141 11.584 -25.620 1.00 95.53 O +HETATM 167 CB HYP A 27 20.110 12.670 -23.428 1.00 94.67 C +HETATM 168 CG HYP A 27 20.641 11.748 -22.340 1.00 93.08 C +HETATM 169 CD HYP A 27 19.683 10.564 -22.402 1.00 94.94 C +HETATM 170 OD1 HYP A 27 20.577 12.355 -21.059 1.00 92.00 O +ATOM 171 N GLY A 28 17.539 13.728 -25.263 1.00 95.02 N +ATOM 172 CA GLY A 28 17.109 13.929 -26.624 1.00 94.76 C +ATOM 173 C GLY A 28 18.305 13.974 -27.568 1.00 95.32 C +ATOM 174 O GLY A 28 19.455 14.008 -27.117 1.00 95.44 O +ATOM 175 N PRO A 29 18.074 13.995 -28.888 1.00 96.11 N +ATOM 176 CA PRO A 29 19.172 14.023 -29.852 1.00 96.05 C +ATOM 177 C PRO A 29 19.905 15.354 -29.822 1.00 95.90 C +ATOM 178 O PRO A 29 19.333 16.380 -29.456 1.00 95.11 O +ATOM 179 CB PRO A 29 18.473 13.786 -31.188 1.00 93.88 C +ATOM 180 CG PRO A 29 17.105 14.335 -30.966 1.00 91.87 C +ATOM 181 CD PRO A 29 16.769 13.962 -29.546 1.00 94.94 C +HETATM 182 N HYP A 30 21.184 15.372 -30.272 1.00 93.38 N +HETATM 183 CA HYP A 30 21.953 16.587 -30.275 1.00 94.36 C +HETATM 184 C HYP A 30 21.412 17.571 -31.274 1.00 92.55 C +HETATM 185 O HYP A 30 20.914 17.202 -32.334 1.00 92.53 O +HETATM 186 CB HYP A 30 23.383 16.088 -30.759 1.00 91.65 C +HETATM 187 CG HYP A 30 23.445 14.624 -30.434 1.00 90.70 C +HETATM 188 CD HYP A 30 21.994 14.160 -30.599 1.00 92.99 C +HETATM 189 OD1 HYP A 30 23.849 14.412 -29.099 1.00 90.18 O +ATOM 190 N GLY A 31 21.525 18.907 -30.920 1.00 91.09 N +ATOM 191 CA GLY A 31 21.083 19.948 -31.819 1.00 89.05 C +ATOM 192 C GLY A 31 21.949 19.972 -33.073 1.00 87.63 C +ATOM 193 O GLY A 31 23.072 19.459 -33.078 1.00 83.84 O +ATOM 194 N VAL A 32 21.420 20.582 -34.151 1.00 92.00 N +ATOM 195 CA VAL A 32 22.145 20.692 -35.414 1.00 89.94 C +ATOM 196 C VAL A 32 22.101 22.137 -35.923 1.00 85.29 C +ATOM 197 O VAL A 32 21.335 22.950 -35.399 1.00 81.07 O +ATOM 198 CB VAL A 32 21.575 19.739 -36.487 1.00 81.00 C +ATOM 199 CG1 VAL A 32 21.753 18.297 -36.067 1.00 69.47 C +ATOM 200 CG2 VAL A 32 20.110 20.047 -36.746 1.00 72.47 C +ATOM 201 OXT VAL A 32 22.844 22.467 -36.872 1.00 69.56 O +TER 202 VAL A 32 +END diff --git a/protein_pdb_591.txt b/protein_pdb_591.txt new file mode 100644 index 0000000000000000000000000000000000000000..bb1f7b708bd5c17c4e34c1293caf920b4d91ebda --- /dev/null +++ b/protein_pdb_591.txt @@ -0,0 +1,163 @@ +ATOM 1 N GLY A 1 -13.181 11.580 0.825 1.00 87.63 N +ATOM 2 CA GLY A 1 -13.556 10.270 0.323 1.00 89.33 C +ATOM 3 C GLY A 1 -12.986 9.174 1.191 1.00 90.44 C +ATOM 4 O GLY A 1 -12.330 9.454 2.185 1.00 88.40 O +ATOM 5 N PRO A 2 -13.206 7.924 0.818 1.00 90.83 N +ATOM 6 CA PRO A 2 -12.729 6.806 1.627 1.00 91.86 C +ATOM 7 C PRO A 2 -11.220 6.639 1.553 1.00 92.21 C +ATOM 8 O PRO A 2 -10.571 7.137 0.643 1.00 90.48 O +ATOM 9 CB PRO A 2 -13.455 5.611 1.029 1.00 88.46 C +ATOM 10 CG PRO A 2 -13.645 5.996 -0.392 1.00 84.58 C +ATOM 11 CD PRO A 2 -13.944 7.473 -0.353 1.00 86.87 C +HETATM 12 N HYP A 3 -10.714 5.983 2.534 1.00 89.46 N +HETATM 13 CA HYP A 3 -9.285 5.629 2.533 1.00 85.75 C +HETATM 14 C HYP A 3 -8.895 4.781 1.320 1.00 90.09 C +HETATM 15 O HYP A 3 -9.747 4.001 0.816 1.00 92.67 O +HETATM 16 CB HYP A 3 -9.152 4.752 3.819 1.00 88.58 C +HETATM 17 CG HYP A 3 -10.268 5.229 4.732 1.00 86.74 C +HETATM 18 CD HYP A 3 -11.406 5.529 3.718 1.00 89.78 C +HETATM 19 OD1 HYP A 3 -9.860 6.411 5.356 1.00 88.78 O +ATOM 20 N GLY A 4 -7.697 4.980 0.865 1.00 91.53 N +ATOM 21 CA GLY A 4 -7.210 4.213 -0.242 1.00 90.77 C +ATOM 22 C GLY A 4 -6.945 2.775 0.168 1.00 90.91 C +ATOM 23 O GLY A 4 -6.992 2.434 1.351 1.00 91.70 O +ATOM 24 N PRO A 5 -6.667 1.916 -0.811 1.00 92.30 N +ATOM 25 CA PRO A 5 -6.398 0.519 -0.503 1.00 91.89 C +ATOM 26 C PRO A 5 -5.042 0.337 0.149 1.00 91.80 C +ATOM 27 O PRO A 5 -4.195 1.223 0.105 1.00 91.03 O +ATOM 28 CB PRO A 5 -6.466 -0.151 -1.874 1.00 89.77 C +ATOM 29 CG PRO A 5 -6.003 0.921 -2.799 1.00 87.72 C +ATOM 30 CD PRO A 5 -6.590 2.188 -2.240 1.00 90.57 C +HETATM 31 N HYP A 6 -4.873 -0.843 0.770 1.00 92.35 N +HETATM 32 CA HYP A 6 -3.579 -1.158 1.320 1.00 93.58 C +HETATM 33 C HYP A 6 -2.484 -1.138 0.279 1.00 93.97 C +HETATM 34 O HYP A 6 -2.737 -1.475 -0.918 1.00 91.86 O +HETATM 35 CB HYP A 6 -3.797 -2.610 1.848 1.00 89.56 C +HETATM 36 CG HYP A 6 -5.287 -2.709 2.122 1.00 88.19 C +HETATM 37 CD HYP A 6 -5.873 -1.872 0.987 1.00 90.15 C +HETATM 38 OD1 HYP A 6 -5.590 -2.111 3.351 1.00 88.46 O +ATOM 39 N GLY A 7 -1.323 -0.695 0.663 1.00 92.82 N +ATOM 40 CA GLY A 7 -0.205 -0.641 -0.235 1.00 91.46 C +ATOM 41 C GLY A 7 0.258 -2.036 -0.604 1.00 91.81 C +ATOM 42 O GLY A 7 -0.154 -3.028 -0.005 1.00 91.65 O +ATOM 43 N PRO A 8 1.126 -2.121 -1.593 1.00 93.44 N +ATOM 44 CA PRO A 8 1.625 -3.420 -2.010 1.00 92.85 C +ATOM 45 C PRO A 8 2.597 -3.996 -0.997 1.00 92.92 C +ATOM 46 O PRO A 8 3.157 -3.282 -0.173 1.00 90.99 O +ATOM 47 CB PRO A 8 2.299 -3.132 -3.344 1.00 90.83 C +ATOM 48 CG PRO A 8 2.761 -1.728 -3.193 1.00 89.71 C +ATOM 49 CD PRO A 8 1.679 -1.042 -2.405 1.00 91.69 C +HETATM 50 N HYP A 9 2.782 -5.322 -1.064 1.00 90.17 N +HETATM 51 CA HYP A 9 3.747 -5.954 -0.239 1.00 90.98 C +HETATM 52 C HYP A 9 5.146 -5.491 -0.537 1.00 90.87 C +HETATM 53 O HYP A 9 5.481 -5.223 -1.695 1.00 89.55 O +HETATM 54 CB HYP A 9 3.655 -7.454 -0.610 1.00 85.03 C +HETATM 55 CG HYP A 9 2.297 -7.630 -1.165 1.00 85.35 C +HETATM 56 CD HYP A 9 2.013 -6.318 -1.843 1.00 88.96 C +HETATM 57 OD1 HYP A 9 1.384 -7.813 -0.112 1.00 84.43 O +ATOM 58 N GLY A 10 5.982 -5.315 0.449 1.00 91.84 N +ATOM 59 CA GLY A 10 7.370 -4.992 0.233 1.00 88.77 C +ATOM 60 C GLY A 10 8.108 -6.270 -0.138 1.00 88.23 C +ATOM 61 O GLY A 10 7.504 -7.273 -0.504 1.00 87.12 O +ATOM 62 N PHE A 11 9.421 -6.247 -0.030 1.00 92.27 N +ATOM 63 CA PHE A 11 10.201 -7.456 -0.303 1.00 92.76 C +ATOM 64 C PHE A 11 9.738 -8.586 0.601 1.00 93.24 C +ATOM 65 O PHE A 11 9.757 -9.756 0.213 1.00 92.08 O +ATOM 66 CB PHE A 11 11.678 -7.200 -0.019 1.00 91.00 C +ATOM 67 CG PHE A 11 12.322 -6.181 -0.919 1.00 86.76 C +ATOM 68 CD1 PHE A 11 12.548 -6.463 -2.247 1.00 84.65 C +ATOM 69 CD2 PHE A 11 12.712 -4.952 -0.417 1.00 83.61 C +ATOM 70 CE1 PHE A 11 13.157 -5.530 -3.074 1.00 81.53 C +ATOM 71 CE2 PHE A 11 13.319 -4.007 -1.236 1.00 82.89 C +ATOM 72 CZ PHE A 11 13.550 -4.299 -2.574 1.00 83.24 C +ATOM 73 N TYR A 12 9.348 -8.227 1.803 1.00 91.09 N +ATOM 74 CA TYR A 12 8.945 -9.184 2.822 1.00 92.09 C +ATOM 75 C TYR A 12 7.975 -8.472 3.756 1.00 91.50 C +ATOM 76 O TYR A 12 8.276 -7.391 4.241 1.00 88.79 O +ATOM 77 CB TYR A 12 10.193 -9.623 3.599 1.00 90.79 C +ATOM 78 CG TYR A 12 9.951 -10.714 4.609 1.00 86.88 C +ATOM 79 CD1 TYR A 12 9.927 -12.040 4.219 1.00 84.97 C +ATOM 80 CD2 TYR A 12 9.765 -10.415 5.957 1.00 82.65 C +ATOM 81 CE1 TYR A 12 9.720 -13.055 5.143 1.00 81.77 C +ATOM 82 CE2 TYR A 12 9.554 -11.421 6.893 1.00 83.51 C +ATOM 83 CZ TYR A 12 9.540 -12.733 6.471 1.00 82.37 C +ATOM 84 OH TYR A 12 9.331 -13.742 7.398 1.00 80.60 O +ATOM 85 N GLY A 13 6.844 -9.078 4.007 1.00 94.05 N +ATOM 86 CA GLY A 13 5.906 -8.497 4.940 1.00 92.96 C +ATOM 87 C GLY A 13 4.558 -8.175 4.339 1.00 93.34 C +ATOM 88 O GLY A 13 4.342 -8.343 3.137 1.00 93.27 O +ATOM 89 N PRO A 14 3.639 -7.733 5.178 1.00 93.31 N +ATOM 90 CA PRO A 14 2.275 -7.468 4.761 1.00 92.57 C +ATOM 91 C PRO A 14 2.129 -6.219 3.916 1.00 92.81 C +ATOM 92 O PRO A 14 3.050 -5.417 3.786 1.00 91.64 O +ATOM 93 CB PRO A 14 1.536 -7.327 6.085 1.00 90.83 C +ATOM 94 CG PRO A 14 2.559 -6.736 6.986 1.00 89.78 C +ATOM 95 CD PRO A 14 3.839 -7.429 6.595 1.00 91.02 C +HETATM 96 N HYP A 15 0.939 -6.102 3.359 1.00 91.18 N +HETATM 97 CA HYP A 15 0.613 -4.897 2.627 1.00 92.35 C +HETATM 98 C HYP A 15 0.751 -3.681 3.478 1.00 92.76 C +HETATM 99 O HYP A 15 0.596 -3.765 4.736 1.00 91.84 O +HETATM 100 CB HYP A 15 -0.880 -5.168 2.284 1.00 89.10 C +HETATM 101 CG HYP A 15 -1.021 -6.664 2.243 1.00 88.53 C +HETATM 102 CD HYP A 15 -0.108 -7.120 3.373 1.00 90.27 C +HETATM 103 OD1 HYP A 15 -0.572 -7.152 1.020 1.00 88.73 O +ATOM 104 N GLY A 16 1.055 -2.579 2.861 1.00 94.83 N +ATOM 105 CA GLY A 16 1.169 -1.348 3.588 1.00 94.19 C +ATOM 106 C GLY A 16 -0.185 -0.889 4.087 1.00 94.52 C +ATOM 107 O GLY A 16 -1.213 -1.497 3.782 1.00 94.15 O +ATOM 108 N PRO A 17 -0.187 0.192 4.863 1.00 93.21 N +ATOM 109 CA PRO A 17 -1.440 0.705 5.395 1.00 92.45 C +ATOM 110 C PRO A 17 -2.305 1.325 4.312 1.00 93.31 C +ATOM 111 O PRO A 17 -1.831 1.637 3.223 1.00 92.31 O +ATOM 112 CB PRO A 17 -0.988 1.735 6.422 1.00 90.44 C +ATOM 113 CG PRO A 17 0.324 2.190 5.910 1.00 89.43 C +ATOM 114 CD PRO A 17 0.956 0.973 5.302 1.00 90.87 C +HETATM 115 N HYP A 18 -3.602 1.480 4.611 1.00 88.36 N +HETATM 116 CA HYP A 18 -4.463 2.157 3.714 1.00 90.28 C +HETATM 117 C HYP A 18 -4.026 3.551 3.390 1.00 89.17 C +HETATM 118 O HYP A 18 -3.394 4.218 4.253 1.00 88.75 O +HETATM 119 CB HYP A 18 -5.798 2.183 4.497 1.00 86.15 C +HETATM 120 CG HYP A 18 -5.739 0.983 5.425 1.00 85.11 C +HETATM 121 CD HYP A 18 -4.259 0.970 5.806 1.00 89.81 C +HETATM 122 OD1 HYP A 18 -6.063 -0.193 4.711 1.00 86.54 O +ATOM 123 N GLY A 19 -4.273 3.968 2.201 1.00 89.63 N +ATOM 124 CA GLY A 19 -3.920 5.302 1.795 1.00 88.68 C +ATOM 125 C GLY A 19 -4.739 6.324 2.549 1.00 89.01 C +ATOM 126 O GLY A 19 -5.677 5.988 3.271 1.00 89.57 O +ATOM 127 N PRO A 20 -4.390 7.589 2.387 1.00 87.33 N +ATOM 128 CA PRO A 20 -5.110 8.637 3.085 1.00 86.18 C +ATOM 129 C PRO A 20 -6.504 8.838 2.515 1.00 86.24 C +ATOM 130 O PRO A 20 -6.806 8.416 1.407 1.00 86.52 O +ATOM 131 CB PRO A 20 -4.234 9.865 2.855 1.00 82.85 C +ATOM 132 CG PRO A 20 -3.595 9.592 1.541 1.00 79.22 C +ATOM 133 CD PRO A 20 -3.318 8.112 1.555 1.00 82.00 C +HETATM 134 N HYP A 21 -7.358 9.443 3.291 1.00 86.07 N +HETATM 135 CA HYP A 21 -8.634 9.805 2.826 1.00 87.49 C +HETATM 136 C HYP A 21 -8.640 10.712 1.617 1.00 86.49 C +HETATM 137 O HYP A 21 -7.705 11.534 1.498 1.00 91.69 O +HETATM 138 CB HYP A 21 -9.297 10.536 4.015 1.00 85.26 C +HETATM 139 CG HYP A 21 -8.585 9.997 5.240 1.00 79.48 C +HETATM 140 CD HYP A 21 -7.172 9.780 4.725 1.00 87.21 C +HETATM 141 OD1 HYP A 21 -9.134 8.724 5.582 1.00 82.94 O +ATOM 142 N GLY A 22 -9.520 10.512 0.723 1.00 86.63 N +ATOM 143 CA GLY A 22 -9.625 11.382 -0.412 1.00 83.89 C +ATOM 144 C GLY A 22 -10.252 12.700 0.022 1.00 83.80 C +ATOM 145 O GLY A 22 -10.513 12.914 1.202 1.00 84.28 O +ATOM 146 N PRO A 23 -10.527 13.603 -0.918 1.00 87.52 N +ATOM 147 CA PRO A 23 -11.167 14.861 -0.569 1.00 87.18 C +ATOM 148 C PRO A 23 -12.512 14.593 0.077 1.00 85.52 C +ATOM 149 O PRO A 23 -13.151 13.587 -0.204 1.00 81.94 O +ATOM 150 CB PRO A 23 -11.333 15.566 -1.914 1.00 82.59 C +ATOM 151 CG PRO A 23 -10.316 14.929 -2.778 1.00 78.37 C +ATOM 152 CD PRO A 23 -10.247 13.504 -2.343 1.00 82.17 C +HETATM 153 N HYP A 24 -12.983 15.430 0.924 1.00 90.88 N +HETATM 154 CA HYP A 24 -14.225 15.091 1.564 1.00 84.60 C +HETATM 155 C HYP A 24 -14.834 13.840 1.189 1.00 88.06 C +HETATM 156 O HYP A 24 -15.658 13.894 0.263 1.00 82.48 O +HETATM 157 CB HYP A 24 -14.822 16.297 2.072 1.00 85.21 C +HETATM 158 CG HYP A 24 -13.699 17.344 2.003 1.00 83.13 C +HETATM 159 CD HYP A 24 -12.680 16.801 0.988 1.00 88.08 C +HETATM 160 OD1 HYP A 24 -13.031 17.438 3.263 1.00 85.60 O +HETATM 161 OXT HYP A 24 -14.604 12.825 1.918 1.00 84.10 O +TER 162 HYP A 24 +END diff --git a/protein_pdb_592.txt b/protein_pdb_592.txt new file mode 100644 index 0000000000000000000000000000000000000000..6454c3a843f1ff5ebe7100d26393fee622ddc438 --- /dev/null +++ b/protein_pdb_592.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 12.187 -10.163 3.459 1.00 90.50 N +ATOM 2 CA GLY A 1 12.125 -9.469 2.220 1.00 91.32 C +ATOM 3 C GLY A 1 11.587 -8.056 2.297 1.00 92.20 C +ATOM 4 O GLY A 1 11.097 -7.619 3.337 1.00 91.15 O +ATOM 5 N PRO A 2 11.657 -7.371 1.214 1.00 91.01 N +ATOM 6 CA PRO A 2 11.194 -5.999 1.151 1.00 91.98 C +ATOM 7 C PRO A 2 9.681 -5.920 1.059 1.00 92.04 C +ATOM 8 O PRO A 2 9.001 -6.916 0.838 1.00 89.71 O +ATOM 9 CB PRO A 2 11.850 -5.481 -0.123 1.00 89.06 C +ATOM 10 CG PRO A 2 11.931 -6.692 -0.984 1.00 86.03 C +ATOM 11 CD PRO A 2 12.201 -7.844 -0.048 1.00 88.91 C +HETATM 12 N HYP A 3 9.194 -4.700 1.225 1.00 90.85 N +HETATM 13 CA HYP A 3 7.763 -4.486 1.086 1.00 90.67 C +HETATM 14 C HYP A 3 7.272 -4.834 -0.294 1.00 92.17 C +HETATM 15 O HYP A 3 8.029 -4.717 -1.268 1.00 93.83 O +HETATM 16 CB HYP A 3 7.613 -2.973 1.379 1.00 88.27 C +HETATM 17 CG HYP A 3 8.821 -2.644 2.253 1.00 85.46 C +HETATM 18 CD HYP A 3 9.918 -3.538 1.670 1.00 89.91 C +HETATM 19 OD1 HYP A 3 8.555 -3.040 3.566 1.00 88.83 O +ATOM 20 N GLY A 4 6.073 -5.313 -0.384 1.00 93.21 N +ATOM 21 CA GLY A 4 5.476 -5.600 -1.664 1.00 92.16 C +ATOM 22 C GLY A 4 5.204 -4.331 -2.443 1.00 92.52 C +ATOM 23 O GLY A 4 5.342 -3.219 -1.937 1.00 92.84 O +ATOM 24 N PRO A 5 4.805 -4.486 -3.699 1.00 93.11 N +ATOM 25 CA PRO A 5 4.527 -3.331 -4.536 1.00 92.76 C +ATOM 26 C PRO A 5 3.256 -2.618 -4.098 1.00 92.53 C +ATOM 27 O PRO A 5 2.425 -3.174 -3.392 1.00 91.35 O +ATOM 28 CB PRO A 5 4.368 -3.934 -5.926 1.00 91.31 C +ATOM 29 CG PRO A 5 3.901 -5.322 -5.666 1.00 89.76 C +ATOM 30 CD PRO A 5 4.567 -5.749 -4.397 1.00 92.09 C +HETATM 31 N HYP A 6 3.146 -1.332 -4.528 1.00 91.89 N +HETATM 32 CA HYP A 6 1.921 -0.626 -4.286 1.00 94.67 C +HETATM 33 C HYP A 6 0.718 -1.295 -4.864 1.00 93.28 C +HETATM 34 O HYP A 6 0.823 -1.989 -5.912 1.00 94.39 O +HETATM 35 CB HYP A 6 2.178 0.748 -4.934 1.00 89.94 C +HETATM 36 CG HYP A 6 3.674 0.897 -4.902 1.00 89.31 C +HETATM 37 CD HYP A 6 4.135 -0.507 -5.165 1.00 91.70 C +HETATM 38 OD1 HYP A 6 4.086 1.308 -3.624 1.00 89.97 O +ATOM 39 N GLY A 7 -0.374 -1.205 -4.204 1.00 94.63 N +ATOM 40 CA GLY A 7 -1.600 -1.739 -4.720 1.00 94.07 C +ATOM 41 C GLY A 7 -2.042 -1.001 -5.967 1.00 94.22 C +ATOM 42 O GLY A 7 -1.488 0.038 -6.334 1.00 93.98 O +ATOM 43 N PRO A 8 -3.040 -1.540 -6.633 1.00 94.43 N +ATOM 44 CA PRO A 8 -3.539 -0.891 -7.836 1.00 94.08 C +ATOM 45 C PRO A 8 -4.182 0.445 -7.525 1.00 94.02 C +ATOM 46 O PRO A 8 -4.635 0.696 -6.412 1.00 92.76 O +ATOM 47 CB PRO A 8 -4.585 -1.861 -8.382 1.00 92.52 C +ATOM 48 CG PRO A 8 -4.522 -3.062 -7.538 1.00 91.52 C +ATOM 49 CD PRO A 8 -3.774 -2.747 -6.294 1.00 93.67 C +HETATM 50 N HYP A 9 -4.233 1.314 -8.537 1.00 91.88 N +HETATM 51 CA HYP A 9 -4.927 2.559 -8.383 1.00 91.89 C +HETATM 52 C HYP A 9 -6.381 2.341 -8.150 1.00 92.49 C +HETATM 53 O HYP A 9 -6.985 1.387 -8.657 1.00 93.00 O +HETATM 54 CB HYP A 9 -4.689 3.218 -9.767 1.00 89.80 C +HETATM 55 CG HYP A 9 -3.453 2.599 -10.297 1.00 89.26 C +HETATM 56 CD HYP A 9 -3.503 1.192 -9.810 1.00 91.55 C +HETATM 57 OD1 HYP A 9 -2.331 3.247 -9.709 1.00 88.58 O +ATOM 58 N GLY A 10 -7.037 3.155 -7.362 1.00 93.16 N +ATOM 59 CA GLY A 10 -8.473 3.205 -7.317 1.00 91.69 C +ATOM 60 C GLY A 10 -9.011 3.783 -8.612 1.00 91.81 C +ATOM 61 O GLY A 10 -8.257 4.157 -9.512 1.00 90.91 O +ATOM 62 N TRP A 11 -10.340 3.852 -8.693 1.00 92.18 N +ATOM 63 CA TRP A 11 -10.919 4.380 -9.926 1.00 91.49 C +ATOM 64 C TRP A 11 -10.431 5.795 -10.219 1.00 90.80 C +ATOM 65 O TRP A 11 -10.200 6.142 -11.375 1.00 89.18 O +ATOM 66 CB TRP A 11 -12.443 4.355 -9.843 1.00 91.14 C +ATOM 67 CG TRP A 11 -12.999 2.969 -9.712 1.00 85.59 C +ATOM 68 CD1 TRP A 11 -12.427 1.806 -10.134 1.00 83.80 C +ATOM 69 CD2 TRP A 11 -14.255 2.594 -9.122 1.00 84.65 C +ATOM 70 NE1 TRP A 11 -13.238 0.741 -9.853 1.00 77.08 N +ATOM 71 CE2 TRP A 11 -14.357 1.194 -9.231 1.00 81.80 C +ATOM 72 CE3 TRP A 11 -15.286 3.314 -8.522 1.00 79.71 C +ATOM 73 CZ2 TRP A 11 -15.478 0.496 -8.751 1.00 86.95 C +ATOM 74 CZ3 TRP A 11 -16.387 2.626 -8.047 1.00 77.52 C +ATOM 75 CH2 TRP A 11 -16.483 1.239 -8.163 1.00 76.69 C +ATOM 76 N ASN A 12 -10.279 6.582 -9.165 1.00 92.83 N +ATOM 77 CA ASN A 12 -9.725 7.924 -9.276 1.00 93.42 C +ATOM 78 C ASN A 12 -8.686 8.183 -8.200 1.00 93.62 C +ATOM 79 O ASN A 12 -8.324 9.336 -7.960 1.00 90.85 O +ATOM 80 CB ASN A 12 -10.840 8.965 -9.182 1.00 91.28 C +ATOM 81 CG ASN A 12 -11.856 8.818 -10.292 1.00 86.49 C +ATOM 82 OD1 ASN A 12 -12.946 8.303 -10.078 1.00 83.95 O +ATOM 83 ND2 ASN A 12 -11.497 9.262 -11.484 1.00 78.00 N +ATOM 84 N GLY A 13 -8.229 7.157 -7.547 1.00 94.41 N +ATOM 85 CA GLY A 13 -7.435 7.298 -6.349 1.00 93.84 C +ATOM 86 C GLY A 13 -6.003 6.865 -6.528 1.00 94.43 C +ATOM 87 O GLY A 13 -5.610 6.352 -7.576 1.00 94.11 O +ATOM 88 N PRO A 14 -5.219 7.085 -5.493 1.00 95.52 N +ATOM 89 CA PRO A 14 -3.811 6.729 -5.538 1.00 95.05 C +ATOM 90 C PRO A 14 -3.609 5.227 -5.448 1.00 95.11 C +ATOM 91 O PRO A 14 -4.523 4.475 -5.120 1.00 93.71 O +ATOM 92 CB PRO A 14 -3.238 7.432 -4.305 1.00 93.72 C +ATOM 93 CG PRO A 14 -4.372 7.442 -3.347 1.00 92.72 C +ATOM 94 CD PRO A 14 -5.611 7.629 -4.191 1.00 94.47 C +HETATM 95 N HYP A 15 -2.402 4.840 -5.731 1.00 94.05 N +HETATM 96 CA HYP A 15 -2.028 3.446 -5.530 1.00 93.45 C +HETATM 97 C HYP A 15 -2.211 3.026 -4.109 1.00 95.55 C +HETATM 98 O HYP A 15 -2.106 3.864 -3.179 1.00 94.39 O +HETATM 99 CB HYP A 15 -0.539 3.479 -5.964 1.00 91.63 C +HETATM 100 CG HYP A 15 -0.458 4.635 -6.952 1.00 90.22 C +HETATM 101 CD HYP A 15 -1.373 5.654 -6.361 1.00 93.62 C +HETATM 102 OD1 HYP A 15 -0.921 4.229 -8.209 1.00 90.45 O +ATOM 103 N GLY A 16 -2.491 1.796 -3.914 1.00 95.12 N +ATOM 104 CA GLY A 16 -2.554 1.271 -2.577 1.00 94.49 C +ATOM 105 C GLY A 16 -1.195 1.300 -1.918 1.00 94.82 C +ATOM 106 O GLY A 16 -0.174 1.571 -2.554 1.00 94.56 O +ATOM 107 N PRO A 17 -1.182 1.027 -0.630 1.00 94.64 N +ATOM 108 CA PRO A 17 0.079 1.020 0.093 1.00 94.05 C +ATOM 109 C PRO A 17 0.939 -0.166 -0.304 1.00 94.32 C +ATOM 110 O PRO A 17 0.449 -1.140 -0.869 1.00 93.36 O +ATOM 111 CB PRO A 17 -0.353 0.946 1.554 1.00 92.68 C +ATOM 112 CG PRO A 17 -1.666 0.260 1.509 1.00 91.17 C +ATOM 113 CD PRO A 17 -2.317 0.688 0.227 1.00 92.80 C +HETATM 114 N HYP A 18 2.245 -0.047 0.007 1.00 91.35 N +HETATM 115 CA HYP A 18 3.100 -1.162 -0.207 1.00 90.59 C +HETATM 116 C HYP A 18 2.663 -2.379 0.542 1.00 91.67 C +HETATM 117 O HYP A 18 2.053 -2.267 1.632 1.00 93.73 O +HETATM 118 CB HYP A 18 4.464 -0.636 0.278 1.00 88.22 C +HETATM 119 CG HYP A 18 4.372 0.871 0.137 1.00 88.91 C +HETATM 120 CD HYP A 18 2.928 1.140 0.491 1.00 92.68 C +HETATM 121 OD1 HYP A 18 4.610 1.230 -1.208 1.00 89.69 O +ATOM 122 N GLY A 19 2.891 -3.510 -0.006 1.00 89.83 N +ATOM 123 CA GLY A 19 2.612 -4.743 0.675 1.00 88.98 C +ATOM 124 C GLY A 19 3.501 -4.909 1.890 1.00 89.01 C +ATOM 125 O GLY A 19 4.456 -4.163 2.099 1.00 90.57 O +ATOM 126 N PRO A 20 3.185 -5.899 2.699 1.00 89.30 N +ATOM 127 CA PRO A 20 3.991 -6.144 3.882 1.00 89.55 C +ATOM 128 C PRO A 20 5.362 -6.681 3.523 1.00 89.04 C +ATOM 129 O PRO A 20 5.578 -7.174 2.421 1.00 89.18 O +ATOM 130 CB PRO A 20 3.172 -7.179 4.654 1.00 87.45 C +ATOM 131 CG PRO A 20 2.368 -7.856 3.614 1.00 85.19 C +ATOM 132 CD PRO A 20 2.095 -6.845 2.547 1.00 87.99 C +HETATM 133 N HYP A 21 6.284 -6.534 4.490 1.00 90.48 N +HETATM 134 CA HYP A 21 7.585 -7.098 4.284 1.00 87.67 C +HETATM 135 C HYP A 21 7.550 -8.578 4.052 1.00 88.97 C +HETATM 136 O HYP A 21 6.712 -9.271 4.638 1.00 92.13 O +HETATM 137 CB HYP A 21 8.325 -6.757 5.582 1.00 86.67 C +HETATM 138 CG HYP A 21 7.621 -5.549 6.134 1.00 84.37 C +HETATM 139 CD HYP A 21 6.197 -5.785 5.755 1.00 90.28 C +HETATM 140 OD1 HYP A 21 8.095 -4.385 5.458 1.00 86.37 O +ATOM 141 N GLY A 22 8.348 -9.056 3.148 1.00 89.73 N +ATOM 142 CA GLY A 22 8.481 -10.464 2.940 1.00 87.66 C +ATOM 143 C GLY A 22 9.115 -11.120 4.162 1.00 87.03 C +ATOM 144 O GLY A 22 9.596 -10.445 5.065 1.00 87.07 O +ATOM 145 N PRO A 23 9.126 -12.440 4.197 1.00 91.92 N +ATOM 146 CA PRO A 23 9.742 -13.133 5.320 1.00 91.36 C +ATOM 147 C PRO A 23 11.256 -13.004 5.236 1.00 90.03 C +ATOM 148 O PRO A 23 11.887 -13.613 4.382 1.00 86.60 O +ATOM 149 CB PRO A 23 9.260 -14.573 5.165 1.00 88.67 C +ATOM 150 CG PRO A 23 8.892 -14.700 3.746 1.00 86.46 C +ATOM 151 CD PRO A 23 8.544 -13.334 3.223 1.00 90.06 C +HETATM 152 N HYP A 24 11.828 -12.115 5.920 1.00 93.25 N +HETATM 153 CA HYP A 24 13.122 -11.376 5.671 1.00 87.23 C +HETATM 154 C HYP A 24 13.243 -10.576 4.558 1.00 91.27 C +HETATM 155 O HYP A 24 13.832 -9.369 4.625 1.00 89.26 O +HETATM 156 CB HYP A 24 13.581 -10.967 7.008 1.00 85.89 C +HETATM 157 CG HYP A 24 13.084 -12.093 7.912 1.00 86.45 C +HETATM 158 CD HYP A 24 11.736 -12.508 7.267 1.00 91.11 C +HETATM 159 OD1 HYP A 24 12.949 -11.687 9.245 1.00 87.97 O +HETATM 160 OXT HYP A 24 13.941 -11.166 3.590 1.00 84.38 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_593.txt b/protein_pdb_593.txt new file mode 100644 index 0000000000000000000000000000000000000000..729fda9ebb36a929abcc8b834cb8c31197c5fc38 --- /dev/null +++ b/protein_pdb_593.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -7.584 14.732 2.053 1.00 80.21 N +ATOM 2 CA GLY A 1 -8.271 13.509 1.800 1.00 80.04 C +ATOM 3 C GLY A 1 -7.864 12.378 2.724 1.00 81.33 C +ATOM 4 O GLY A 1 -6.906 12.501 3.481 1.00 77.83 O +ATOM 5 N PRO A 2 -8.562 11.301 2.666 1.00 79.61 N +ATOM 6 CA PRO A 2 -8.301 10.154 3.521 1.00 79.59 C +ATOM 7 C PRO A 2 -7.093 9.356 3.062 1.00 80.03 C +ATOM 8 O PRO A 2 -6.589 9.546 1.956 1.00 77.37 O +ATOM 9 CB PRO A 2 -9.583 9.336 3.393 1.00 76.29 C +ATOM 10 CG PRO A 2 -10.044 9.635 2.009 1.00 73.26 C +ATOM 11 CD PRO A 2 -9.701 11.086 1.787 1.00 73.49 C +HETATM 12 N HYP A 3 -6.663 8.455 3.951 1.00 79.87 N +HETATM 13 CA HYP A 3 -5.565 7.575 3.581 1.00 84.75 C +HETATM 14 C HYP A 3 -5.926 6.680 2.405 1.00 84.05 C +HETATM 15 O HYP A 3 -7.127 6.355 2.232 1.00 85.61 O +HETATM 16 CB HYP A 3 -5.413 6.741 4.875 1.00 79.21 C +HETATM 17 CG HYP A 3 -5.922 7.641 5.971 1.00 73.40 C +HETATM 18 CD HYP A 3 -7.081 8.374 5.286 1.00 80.69 C +HETATM 19 OD1 HYP A 3 -4.915 8.554 6.302 1.00 79.84 O +ATOM 20 N GLY A 4 -4.961 6.375 1.606 1.00 84.40 N +ATOM 21 CA GLY A 4 -5.174 5.502 0.483 1.00 83.15 C +ATOM 22 C GLY A 4 -5.494 4.087 0.939 1.00 84.54 C +ATOM 23 O GLY A 4 -5.392 3.762 2.119 1.00 82.85 O +ATOM 24 N PRO A 5 -5.872 3.237 -0.004 1.00 84.50 N +ATOM 25 CA PRO A 5 -6.194 1.857 0.327 1.00 83.58 C +ATOM 26 C PRO A 5 -4.940 1.061 0.657 1.00 84.01 C +ATOM 27 O PRO A 5 -3.826 1.480 0.363 1.00 81.45 O +ATOM 28 CB PRO A 5 -6.860 1.343 -0.944 1.00 80.57 C +ATOM 29 CG PRO A 5 -6.234 2.146 -2.020 1.00 79.05 C +ATOM 30 CD PRO A 5 -6.008 3.510 -1.429 1.00 80.10 C +HETATM 31 N HYP A 6 -5.151 -0.077 1.284 1.00 87.59 N +HETATM 32 CA HYP A 6 -4.039 -0.999 1.529 1.00 89.05 C +HETATM 33 C HYP A 6 -3.282 -1.330 0.276 1.00 88.86 C +HETATM 34 O HYP A 6 -3.914 -1.425 -0.812 1.00 87.84 O +HETATM 35 CB HYP A 6 -4.762 -2.185 2.095 1.00 84.21 C +HETATM 36 CG HYP A 6 -6.006 -1.637 2.739 1.00 81.59 C +HETATM 37 CD HYP A 6 -6.377 -0.552 1.803 1.00 84.22 C +HETATM 38 OD1 HYP A 6 -5.709 -1.090 3.986 1.00 80.78 O +ATOM 39 N GLY A 7 -2.000 -1.434 0.380 1.00 85.71 N +ATOM 40 CA GLY A 7 -1.183 -1.765 -0.751 1.00 82.96 C +ATOM 41 C GLY A 7 -1.464 -3.172 -1.255 1.00 84.22 C +ATOM 42 O GLY A 7 -2.159 -3.952 -0.609 1.00 82.95 O +ATOM 43 N PRO A 8 -0.916 -3.502 -2.403 1.00 83.92 N +ATOM 44 CA PRO A 8 -1.134 -4.829 -2.968 1.00 82.66 C +ATOM 45 C PRO A 8 -0.420 -5.902 -2.162 1.00 83.41 C +ATOM 46 O PRO A 8 0.567 -5.637 -1.482 1.00 81.06 O +ATOM 47 CB PRO A 8 -0.574 -4.724 -4.385 1.00 79.58 C +ATOM 48 CG PRO A 8 0.438 -3.644 -4.283 1.00 79.39 C +ATOM 49 CD PRO A 8 -0.090 -2.678 -3.264 1.00 79.77 C +HETATM 50 N HYP A 9 -0.899 -7.138 -2.277 1.00 82.17 N +HETATM 51 CA HYP A 9 -0.335 -8.204 -1.617 1.00 83.19 C +HETATM 52 C HYP A 9 1.110 -8.466 -2.111 1.00 81.55 C +HETATM 53 O HYP A 9 1.369 -8.346 -3.295 1.00 82.70 O +HETATM 54 CB HYP A 9 -1.147 -9.412 -2.114 1.00 77.30 C +HETATM 55 CG HYP A 9 -2.416 -8.860 -2.566 1.00 75.41 C +HETATM 56 CD HYP A 9 -2.050 -7.515 -3.054 1.00 81.67 C +HETATM 57 OD1 HYP A 9 -3.310 -8.715 -1.492 1.00 77.00 O +ATOM 58 N GLY A 10 2.006 -8.755 -1.243 1.00 85.06 N +ATOM 59 CA GLY A 10 3.368 -9.064 -1.612 1.00 81.97 C +ATOM 60 C GLY A 10 3.552 -10.510 -2.025 1.00 82.85 C +ATOM 61 O GLY A 10 4.670 -10.926 -2.294 1.00 78.22 O +ATOM 62 N GLY A 11 2.480 -11.273 -2.063 1.00 81.84 N +ATOM 63 CA GLY A 11 2.546 -12.696 -2.332 1.00 80.36 C +ATOM 64 C GLY A 11 2.436 -13.441 -1.024 1.00 81.95 C +ATOM 65 O GLY A 11 1.447 -14.127 -0.760 1.00 78.12 O +ATOM 66 N TYR A 12 3.440 -13.294 -0.188 1.00 81.70 N +ATOM 67 CA TYR A 12 3.428 -13.840 1.152 1.00 83.26 C +ATOM 68 C TYR A 12 3.294 -12.675 2.128 1.00 83.08 C +ATOM 69 O TYR A 12 4.157 -11.798 2.165 1.00 78.74 O +ATOM 70 CB TYR A 12 4.717 -14.621 1.424 1.00 80.86 C +ATOM 71 CG TYR A 12 4.744 -15.274 2.774 1.00 76.68 C +ATOM 72 CD1 TYR A 12 4.097 -16.492 2.980 1.00 74.59 C +ATOM 73 CD2 TYR A 12 5.395 -14.696 3.858 1.00 72.21 C +ATOM 74 CE1 TYR A 12 4.106 -17.108 4.223 1.00 71.68 C +ATOM 75 CE2 TYR A 12 5.405 -15.301 5.105 1.00 72.67 C +ATOM 76 CZ TYR A 12 4.765 -16.508 5.274 1.00 69.86 C +ATOM 77 OH TYR A 12 4.773 -17.120 6.519 1.00 69.53 O +ATOM 78 N GLY A 13 2.221 -12.672 2.891 1.00 84.86 N +ATOM 79 CA GLY A 13 2.004 -11.612 3.850 1.00 82.59 C +ATOM 80 C GLY A 13 0.789 -10.777 3.518 1.00 83.34 C +ATOM 81 O GLY A 13 0.197 -10.915 2.442 1.00 81.86 O +ATOM 82 N PRO A 14 0.391 -9.924 4.444 1.00 82.63 N +ATOM 83 CA PRO A 14 -0.804 -9.109 4.265 1.00 81.57 C +ATOM 84 C PRO A 14 -0.588 -7.981 3.268 1.00 82.11 C +ATOM 85 O PRO A 14 0.528 -7.690 2.862 1.00 78.25 O +ATOM 86 CB PRO A 14 -1.069 -8.563 5.669 1.00 78.12 C +ATOM 87 CG PRO A 14 0.288 -8.463 6.263 1.00 76.42 C +ATOM 88 CD PRO A 14 1.039 -9.658 5.725 1.00 75.32 C +HETATM 89 N HYP A 15 -1.678 -7.380 2.890 1.00 82.97 N +HETATM 90 CA HYP A 15 -1.620 -6.189 2.073 1.00 86.66 C +HETATM 91 C HYP A 15 -0.765 -5.136 2.697 1.00 86.28 C +HETATM 92 O HYP A 15 -0.607 -5.146 3.949 1.00 85.08 O +HETATM 93 CB HYP A 15 -3.094 -5.841 2.005 1.00 81.07 C +HETATM 94 CG HYP A 15 -3.788 -7.158 2.157 1.00 75.66 C +HETATM 95 CD HYP A 15 -2.963 -7.856 3.192 1.00 81.93 C +HETATM 96 OD1 HYP A 15 -3.817 -7.863 0.975 1.00 81.31 O +ATOM 97 N GLY A 16 -0.238 -4.273 1.908 1.00 86.93 N +ATOM 98 CA GLY A 16 0.562 -3.199 2.422 1.00 84.85 C +ATOM 99 C GLY A 16 -0.257 -2.239 3.257 1.00 85.74 C +ATOM 100 O GLY A 16 -1.480 -2.344 3.334 1.00 83.70 O +ATOM 101 N PRO A 17 0.413 -1.291 3.891 1.00 87.11 N +ATOM 102 CA PRO A 17 -0.276 -0.310 4.719 1.00 85.45 C +ATOM 103 C PRO A 17 -1.084 0.657 3.875 1.00 86.23 C +ATOM 104 O PRO A 17 -0.888 0.767 2.664 1.00 84.03 O +ATOM 105 CB PRO A 17 0.858 0.394 5.457 1.00 82.74 C +ATOM 106 CG PRO A 17 2.015 0.262 4.537 1.00 82.35 C +ATOM 107 CD PRO A 17 1.856 -1.073 3.874 1.00 82.76 C +HETATM 108 N HYP A 18 -2.013 1.338 4.502 1.00 85.39 N +HETATM 109 CA HYP A 18 -2.744 2.374 3.854 1.00 88.56 C +HETATM 110 C HYP A 18 -1.876 3.383 3.221 1.00 87.77 C +HETATM 111 O HYP A 18 -0.768 3.682 3.754 1.00 85.81 O +HETATM 112 CB HYP A 18 -3.572 2.930 4.975 1.00 83.66 C +HETATM 113 CG HYP A 18 -3.744 1.789 5.926 1.00 80.69 C +HETATM 114 CD HYP A 18 -2.427 1.130 5.848 1.00 84.73 C +HETATM 115 OD1 HYP A 18 -4.749 0.928 5.482 1.00 81.63 O +ATOM 116 N GLY A 19 -2.285 3.904 2.111 1.00 85.84 N +ATOM 117 CA GLY A 19 -1.541 4.927 1.425 1.00 84.57 C +ATOM 118 C GLY A 19 -1.510 6.217 2.218 1.00 86.44 C +ATOM 119 O GLY A 19 -2.146 6.341 3.260 1.00 85.77 O +ATOM 120 N PRO A 20 -0.762 7.184 1.728 1.00 83.30 N +ATOM 121 CA PRO A 20 -0.649 8.450 2.431 1.00 82.47 C +ATOM 122 C PRO A 20 -1.935 9.252 2.365 1.00 83.14 C +ATOM 123 O PRO A 20 -2.776 9.032 1.502 1.00 81.85 O +ATOM 124 CB PRO A 20 0.483 9.164 1.687 1.00 80.08 C +ATOM 125 CG PRO A 20 0.412 8.598 0.315 1.00 77.66 C +ATOM 126 CD PRO A 20 0.008 7.158 0.493 1.00 77.82 C +HETATM 127 N HYP A 21 -2.097 10.163 3.285 1.00 83.66 N +HETATM 128 CA HYP A 21 -3.196 11.061 3.284 1.00 87.79 C +HETATM 129 C HYP A 21 -3.288 11.883 2.026 1.00 84.35 C +HETATM 130 O HYP A 21 -2.228 12.313 1.502 1.00 85.83 O +HETATM 131 CB HYP A 21 -2.831 11.971 4.462 1.00 83.06 C +HETATM 132 CG HYP A 21 -1.965 11.153 5.356 1.00 80.74 C +HETATM 133 CD HYP A 21 -1.201 10.331 4.396 1.00 84.94 C +HETATM 134 OD1 HYP A 21 -2.747 10.290 6.168 1.00 80.19 O +ATOM 135 N GLY A 22 -4.454 12.015 1.490 1.00 85.84 N +ATOM 136 CA GLY A 22 -4.648 12.840 0.333 1.00 84.35 C +ATOM 137 C GLY A 22 -4.540 14.310 0.702 1.00 85.14 C +ATOM 138 O GLY A 22 -4.470 14.662 1.878 1.00 83.40 O +ATOM 139 N PRO A 23 -4.547 15.193 -0.282 1.00 87.30 N +ATOM 140 CA PRO A 23 -4.495 16.622 -0.009 1.00 86.65 C +ATOM 141 C PRO A 23 -5.853 17.095 0.496 1.00 86.40 C +ATOM 142 O PRO A 23 -6.830 17.069 -0.243 1.00 82.84 O +ATOM 143 CB PRO A 23 -4.138 17.231 -1.362 1.00 82.08 C +ATOM 144 CG PRO A 23 -4.664 16.258 -2.349 1.00 79.12 C +ATOM 145 CD PRO A 23 -4.546 14.899 -1.703 1.00 81.42 C +HETATM 146 N HYP A 24 -5.983 17.399 1.771 1.00 84.87 N +HETATM 147 CA HYP A 24 -7.277 17.395 2.394 1.00 78.03 C +HETATM 148 C HYP A 24 -8.126 16.354 2.147 1.00 78.35 C +HETATM 149 O HYP A 24 -9.256 16.182 2.775 1.00 76.65 O +HETATM 150 CB HYP A 24 -7.367 18.328 3.471 1.00 76.69 C +HETATM 151 CG HYP A 24 -6.136 19.204 3.279 1.00 77.52 C +HETATM 152 CD HYP A 24 -5.242 18.448 2.273 1.00 81.78 C +HETATM 153 OD1 HYP A 24 -5.415 19.386 4.477 1.00 81.00 O +HETATM 154 OXT HYP A 24 -8.520 16.345 0.899 1.00 76.59 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_594.txt b/protein_pdb_594.txt new file mode 100644 index 0000000000000000000000000000000000000000..96b9e53e929ce0e355f7c1479dcfaf1024f62c6d --- /dev/null +++ b/protein_pdb_594.txt @@ -0,0 +1,183 @@ +ATOM 1 N GLY A 1 9.108 17.304 -41.621 1.00 94.21 N +ATOM 2 CA GLY A 1 8.516 15.961 -41.667 1.00 95.31 C +ATOM 3 C GLY A 1 7.376 15.818 -40.685 1.00 96.11 C +ATOM 4 O GLY A 1 7.192 16.682 -39.825 1.00 95.02 O +ATOM 5 N PRO A 2 6.601 14.744 -40.771 1.00 97.45 N +ATOM 6 CA PRO A 2 5.484 14.545 -39.853 1.00 97.83 C +ATOM 7 C PRO A 2 5.970 14.252 -38.434 1.00 98.18 C +ATOM 8 O PRO A 2 7.103 13.802 -38.225 1.00 97.43 O +ATOM 9 CB PRO A 2 4.735 13.347 -40.453 1.00 96.64 C +ATOM 10 CG PRO A 2 5.800 12.583 -41.161 1.00 94.07 C +ATOM 11 CD PRO A 2 6.705 13.647 -41.748 1.00 96.11 C +ATOM 12 N ALA A 3 5.083 14.499 -37.471 1.00 97.48 N +ATOM 13 CA ALA A 3 5.417 14.235 -36.074 1.00 97.51 C +ATOM 14 C ALA A 3 5.597 12.738 -35.836 1.00 97.65 C +ATOM 15 O ALA A 3 4.970 11.902 -36.504 1.00 96.24 O +ATOM 16 CB ALA A 3 4.315 14.785 -35.168 1.00 96.25 C +ATOM 17 N GLY A 4 6.456 12.395 -34.890 1.00 98.09 N +ATOM 18 CA GLY A 4 6.701 10.995 -34.575 1.00 97.89 C +ATOM 19 C GLY A 4 5.525 10.355 -33.853 1.00 98.10 C +ATOM 20 O GLY A 4 4.601 11.039 -33.412 1.00 98.15 O +ATOM 21 N PRO A 5 5.558 9.024 -33.713 1.00 98.37 N +ATOM 22 CA PRO A 5 4.468 8.320 -33.038 1.00 98.21 C +ATOM 23 C PRO A 5 4.462 8.603 -31.537 1.00 98.47 C +ATOM 24 O PRO A 5 5.480 8.996 -30.951 1.00 98.11 O +ATOM 25 CB PRO A 5 4.756 6.841 -33.327 1.00 97.43 C +ATOM 26 CG PRO A 5 6.242 6.802 -33.463 1.00 95.85 C +ATOM 27 CD PRO A 5 6.592 8.089 -34.170 1.00 97.64 C +ATOM 28 N ALA A 6 3.300 8.386 -30.908 1.00 97.95 N +ATOM 29 CA ALA A 6 3.174 8.585 -29.469 1.00 97.94 C +ATOM 30 C ALA A 6 3.994 7.539 -28.723 1.00 98.06 C +ATOM 31 O ALA A 6 4.195 6.419 -29.205 1.00 96.96 O +ATOM 32 CB ALA A 6 1.706 8.502 -29.055 1.00 96.86 C +ATOM 33 N GLY A 7 4.472 7.912 -27.533 1.00 98.16 N +ATOM 34 CA GLY A 7 5.264 6.997 -26.733 1.00 98.08 C +ATOM 35 C GLY A 7 4.416 5.883 -26.130 1.00 98.34 C +ATOM 36 O GLY A 7 3.188 5.934 -26.168 1.00 98.33 O +ATOM 37 N PRO A 8 5.068 4.868 -25.544 1.00 98.35 N +ATOM 38 CA PRO A 8 4.335 3.755 -24.946 1.00 98.33 C +ATOM 39 C PRO A 8 3.604 4.175 -23.677 1.00 98.44 C +ATOM 40 O PRO A 8 3.933 5.189 -23.048 1.00 98.06 O +ATOM 41 CB PRO A 8 5.430 2.720 -24.651 1.00 97.66 C +ATOM 42 CG PRO A 8 6.636 3.571 -24.414 1.00 96.25 C +ATOM 43 CD PRO A 8 6.509 4.704 -25.410 1.00 97.77 C +ATOM 44 N VAL A 9 2.596 3.365 -23.295 1.00 98.17 N +ATOM 45 CA VAL A 9 1.838 3.624 -22.079 1.00 98.12 C +ATOM 46 C VAL A 9 2.717 3.297 -20.875 1.00 98.39 C +ATOM 47 O VAL A 9 3.437 2.300 -20.873 1.00 97.91 O +ATOM 48 CB VAL A 9 0.545 2.785 -22.051 1.00 97.26 C +ATOM 49 CG1 VAL A 9 -0.236 3.033 -20.770 1.00 91.64 C +ATOM 50 CG2 VAL A 9 -0.324 3.108 -23.265 1.00 91.65 C +ATOM 51 N SER A 10 2.655 4.146 -19.843 1.00 98.30 N +ATOM 52 CA SER A 10 3.452 3.924 -18.639 1.00 98.23 C +ATOM 53 C SER A 10 2.925 2.715 -17.851 1.00 98.43 C +ATOM 54 O SER A 10 1.724 2.435 -17.868 1.00 98.22 O +ATOM 55 CB SER A 10 3.428 5.164 -17.755 1.00 97.35 C +ATOM 56 OG SER A 10 3.995 6.280 -18.430 1.00 92.29 O +ATOM 57 N PRO A 11 3.805 2.001 -17.139 1.00 98.46 N +ATOM 58 CA PRO A 11 3.359 0.861 -16.340 1.00 98.38 C +ATOM 59 C PRO A 11 2.538 1.330 -15.142 1.00 98.59 C +ATOM 60 O PRO A 11 2.636 2.476 -14.704 1.00 98.19 O +ATOM 61 CB PRO A 11 4.663 0.187 -15.912 1.00 97.67 C +ATOM 62 CG PRO A 11 5.651 1.305 -15.905 1.00 96.50 C +ATOM 63 CD PRO A 11 5.258 2.177 -17.069 1.00 97.71 C +ATOM 64 N ALA A 12 1.723 0.416 -14.604 1.00 98.16 N +ATOM 65 CA ALA A 12 0.892 0.731 -13.450 1.00 98.12 C +ATOM 66 C ALA A 12 1.763 1.014 -12.228 1.00 98.39 C +ATOM 67 O ALA A 12 2.880 0.494 -12.101 1.00 97.27 O +ATOM 68 CB ALA A 12 -0.068 -0.422 -13.161 1.00 97.08 C +ATOM 69 N GLY A 13 1.253 1.849 -11.324 1.00 98.19 N +ATOM 70 CA GLY A 13 1.987 2.183 -10.118 1.00 98.01 C +ATOM 71 C GLY A 13 2.114 0.990 -9.186 1.00 98.26 C +ATOM 72 O GLY A 13 1.348 0.027 -9.260 1.00 98.13 O +ATOM 73 N ALA A 14 3.109 1.058 -8.301 1.00 98.32 N +ATOM 74 CA ALA A 14 3.348 -0.017 -7.343 1.00 98.30 C +ATOM 75 C ALA A 14 2.225 -0.083 -6.316 1.00 98.49 C +ATOM 76 O ALA A 14 1.558 0.911 -6.020 1.00 97.72 O +ATOM 77 CB ALA A 14 4.688 0.195 -6.642 1.00 97.63 C +ATOM 78 N ARG A 15 2.028 -1.273 -5.733 1.00 98.57 N +ATOM 79 CA ARG A 15 1.018 -1.460 -4.701 1.00 98.46 C +ATOM 80 C ARG A 15 1.414 -0.664 -3.458 1.00 98.30 C +ATOM 81 O ARG A 15 2.602 -0.557 -3.135 1.00 97.72 O +ATOM 82 CB ARG A 15 0.877 -2.953 -4.371 1.00 97.53 C +ATOM 83 CG ARG A 15 -0.204 -3.254 -3.348 1.00 94.21 C +ATOM 84 CD ARG A 15 -0.286 -4.734 -3.060 1.00 90.97 C +ATOM 85 NE ARG A 15 -1.320 -5.049 -2.071 1.00 85.34 N +ATOM 86 CZ ARG A 15 -1.588 -6.259 -1.624 1.00 81.67 C +ATOM 87 NH1 ARG A 15 -0.898 -7.301 -2.060 1.00 78.51 N +ATOM 88 NH2 ARG A 15 -2.538 -6.437 -0.732 1.00 77.03 N +ATOM 89 N GLY A 16 0.416 -0.129 -2.779 1.00 98.34 N +ATOM 90 CA GLY A 16 0.673 0.649 -1.579 1.00 98.11 C +ATOM 91 C GLY A 16 1.266 -0.198 -0.461 1.00 98.32 C +ATOM 92 O GLY A 16 1.179 -1.429 -0.487 1.00 98.25 O +ATOM 93 N PRO A 17 1.871 0.453 0.552 1.00 98.48 N +ATOM 94 CA PRO A 17 2.479 -0.279 1.664 1.00 98.22 C +ATOM 95 C PRO A 17 1.431 -0.916 2.569 1.00 98.48 C +ATOM 96 O PRO A 17 0.258 -0.536 2.557 1.00 98.09 O +ATOM 97 CB PRO A 17 3.275 0.797 2.405 1.00 97.45 C +ATOM 98 CG PRO A 17 2.499 2.044 2.138 1.00 95.95 C +ATOM 99 CD PRO A 17 2.030 1.903 0.709 1.00 97.51 C +ATOM 100 N ALA A 18 1.880 -1.893 3.353 1.00 97.97 N +ATOM 101 CA ALA A 18 0.992 -2.549 4.302 1.00 97.82 C +ATOM 102 C ALA A 18 0.581 -1.561 5.390 1.00 98.07 C +ATOM 103 O ALA A 18 1.306 -0.609 5.691 1.00 96.82 O +ATOM 104 CB ALA A 18 1.689 -3.757 4.928 1.00 96.45 C +ATOM 105 N GLY A 19 -0.592 -1.802 5.985 1.00 98.38 N +ATOM 106 CA GLY A 19 -1.086 -0.930 7.034 1.00 98.27 C +ATOM 107 C GLY A 19 -0.258 -1.032 8.298 1.00 98.44 C +ATOM 108 O GLY A 19 0.564 -1.943 8.447 1.00 98.32 O +ATOM 109 N PRO A 20 -0.460 -0.098 9.242 1.00 98.13 N +ATOM 110 CA PRO A 20 0.300 -0.088 10.490 1.00 98.15 C +ATOM 111 C PRO A 20 -0.113 -1.238 11.406 1.00 98.24 C +ATOM 112 O PRO A 20 -1.184 -1.808 11.260 1.00 98.04 O +ATOM 113 CB PRO A 20 -0.042 1.262 11.105 1.00 97.32 C +ATOM 114 CG PRO A 20 -1.410 1.544 10.586 1.00 95.77 C +ATOM 115 CD PRO A 20 -1.391 1.024 9.165 1.00 97.34 C +HETATM 116 N HYP A 21 0.745 -1.565 12.400 1.00 98.15 N +HETATM 117 CA HYP A 21 0.457 -2.543 13.379 1.00 97.76 C +HETATM 118 C HYP A 21 -0.775 -2.171 14.189 1.00 98.39 C +HETATM 119 O HYP A 21 -1.048 -0.984 14.368 1.00 97.41 O +HETATM 120 CB HYP A 21 1.723 -2.527 14.256 1.00 97.35 C +HETATM 121 CG HYP A 21 2.808 -2.050 13.340 1.00 96.05 C +HETATM 122 CD HYP A 21 2.102 -1.059 12.504 1.00 97.17 C +HETATM 123 OD1 HYP A 21 3.302 -3.093 12.545 1.00 95.80 O +ATOM 124 N GLY A 22 -1.499 -3.155 14.647 1.00 98.24 N +ATOM 125 CA GLY A 22 -2.667 -2.907 15.453 1.00 98.29 C +ATOM 126 C GLY A 22 -2.290 -2.315 16.801 1.00 98.30 C +ATOM 127 O GLY A 22 -1.108 -2.275 17.166 1.00 98.08 O +ATOM 128 N PRO A 23 -3.289 -1.866 17.576 1.00 97.80 N +ATOM 129 CA PRO A 23 -3.028 -1.275 18.887 1.00 97.79 C +ATOM 130 C PRO A 23 -2.525 -2.311 19.883 1.00 97.80 C +ATOM 131 O PRO A 23 -2.758 -3.503 19.724 1.00 97.26 O +ATOM 132 CB PRO A 23 -4.382 -0.700 19.294 1.00 96.54 C +ATOM 133 CG PRO A 23 -5.352 -1.578 18.583 1.00 94.61 C +ATOM 134 CD PRO A 23 -4.710 -1.866 17.255 1.00 96.76 C +HETATM 135 N HYP A 24 -1.864 -1.858 20.948 1.00 97.79 N +HETATM 136 CA HYP A 24 -1.387 -2.722 21.998 1.00 96.88 C +HETATM 137 C HYP A 24 -2.549 -3.448 22.695 1.00 97.57 C +HETATM 138 O HYP A 24 -3.639 -2.906 22.783 1.00 97.02 O +HETATM 139 CB HYP A 24 -0.736 -1.699 23.004 1.00 95.04 C +HETATM 140 CG HYP A 24 -0.340 -0.505 22.167 1.00 93.83 C +HETATM 141 CD HYP A 24 -1.446 -0.457 21.120 1.00 95.73 C +HETATM 142 OD1 HYP A 24 0.887 -0.732 21.498 1.00 93.64 O +ATOM 143 N GLY A 25 -2.286 -4.659 23.127 1.00 96.31 N +ATOM 144 CA GLY A 25 -3.294 -5.425 23.818 1.00 96.48 C +ATOM 145 C GLY A 25 -3.595 -4.820 25.175 1.00 97.04 C +ATOM 146 O GLY A 25 -2.887 -3.928 25.645 1.00 96.64 O +ATOM 147 N PRO A 26 -4.642 -5.319 25.857 1.00 95.83 N +ATOM 148 CA PRO A 26 -5.013 -4.792 27.159 1.00 95.65 C +ATOM 149 C PRO A 26 -3.987 -5.154 28.227 1.00 95.93 C +ATOM 150 O PRO A 26 -3.230 -6.103 28.073 1.00 94.84 O +ATOM 151 CB PRO A 26 -6.374 -5.446 27.429 1.00 93.63 C +ATOM 152 CG PRO A 26 -6.297 -6.721 26.658 1.00 91.76 C +ATOM 153 CD PRO A 26 -5.545 -6.369 25.401 1.00 94.41 C +HETATM 154 N HYP A 27 -3.951 -4.437 29.362 1.00 96.37 N +HETATM 155 CA HYP A 27 -3.064 -4.699 30.440 1.00 94.59 C +HETATM 156 C HYP A 27 -3.303 -6.060 31.087 1.00 96.39 C +HETATM 157 O HYP A 27 -4.407 -6.556 31.063 1.00 95.60 O +HETATM 158 CB HYP A 27 -3.472 -3.588 31.510 1.00 93.37 C +HETATM 159 CG HYP A 27 -4.130 -2.473 30.703 1.00 90.75 C +HETATM 160 CD HYP A 27 -4.785 -3.230 29.560 1.00 93.55 C +HETATM 161 OD1 HYP A 27 -3.139 -1.599 30.152 1.00 90.37 O +ATOM 162 N GLY A 28 -2.261 -6.666 31.601 1.00 92.03 N +ATOM 163 CA GLY A 28 -2.382 -7.938 32.263 1.00 91.46 C +ATOM 164 C GLY A 28 -3.162 -7.802 33.559 1.00 92.31 C +ATOM 165 O GLY A 28 -3.451 -6.695 34.009 1.00 90.88 O +ATOM 166 N PRO A 29 -3.491 -8.925 34.226 1.00 93.73 N +ATOM 167 CA PRO A 29 -4.253 -8.882 35.467 1.00 93.65 C +ATOM 168 C PRO A 29 -3.436 -8.280 36.591 1.00 93.13 C +ATOM 169 O PRO A 29 -2.201 -8.348 36.585 1.00 89.38 O +ATOM 170 CB PRO A 29 -4.600 -10.347 35.732 1.00 90.48 C +ATOM 171 CG PRO A 29 -3.494 -11.087 35.060 1.00 87.79 C +ATOM 172 CD PRO A 29 -3.192 -10.289 33.821 1.00 90.98 C +HETATM 173 N HYP A 30 -4.103 -7.712 37.629 1.00 95.08 N +HETATM 174 CA HYP A 30 -3.278 -7.200 38.708 1.00 90.84 C +HETATM 175 C HYP A 30 -2.750 -8.447 39.490 1.00 91.25 C +HETATM 176 O HYP A 30 -1.660 -8.410 39.905 1.00 90.78 O +HETATM 177 CB HYP A 30 -4.337 -6.487 39.656 1.00 88.05 C +HETATM 178 CG HYP A 30 -5.547 -6.168 38.816 1.00 87.48 C +HETATM 179 CD HYP A 30 -5.518 -7.250 37.714 1.00 91.69 C +HETATM 180 OD1 HYP A 30 -5.348 -4.915 38.233 1.00 84.86 O +HETATM 181 OXT HYP A 30 -3.517 -9.435 39.641 1.00 89.74 O +TER 182 HYP A 30 +END diff --git a/protein_pdb_595.txt b/protein_pdb_595.txt new file mode 100644 index 0000000000000000000000000000000000000000..fbe03c6262d796de1fdff6c636ab03e347f72102 --- /dev/null +++ b/protein_pdb_595.txt @@ -0,0 +1,182 @@ +ATOM 1 N GLY A 1 8.195 20.951 -39.992 1.00 93.31 N +ATOM 2 CA GLY A 1 7.438 19.713 -40.170 1.00 94.43 C +ATOM 3 C GLY A 1 6.343 19.565 -39.132 1.00 95.11 C +ATOM 4 O GLY A 1 6.320 20.323 -38.152 1.00 93.67 O +ATOM 5 N PRO A 2 5.438 18.616 -39.306 1.00 96.97 N +ATOM 6 CA PRO A 2 4.359 18.421 -38.338 1.00 97.43 C +ATOM 7 C PRO A 2 4.885 17.884 -37.007 1.00 97.79 C +ATOM 8 O PRO A 2 5.957 17.273 -36.938 1.00 96.87 O +ATOM 9 CB PRO A 2 3.431 17.415 -39.028 1.00 95.84 C +ATOM 10 CG PRO A 2 4.348 16.639 -39.911 1.00 93.05 C +ATOM 11 CD PRO A 2 5.346 17.657 -40.415 1.00 95.00 C +ATOM 12 N ALA A 3 4.092 18.096 -35.951 1.00 97.17 N +ATOM 13 CA ALA A 3 4.470 17.609 -34.629 1.00 97.30 C +ATOM 14 C ALA A 3 4.450 16.080 -34.600 1.00 97.45 C +ATOM 15 O ALA A 3 3.670 15.440 -35.306 1.00 95.80 O +ATOM 16 CB ALA A 3 3.519 18.173 -33.572 1.00 95.82 C +ATOM 17 N GLY A 4 5.318 15.504 -33.786 1.00 97.77 N +ATOM 18 CA GLY A 4 5.377 14.055 -33.668 1.00 97.48 C +ATOM 19 C GLY A 4 4.178 13.487 -32.926 1.00 97.83 C +ATOM 20 O GLY A 4 3.407 14.227 -32.315 1.00 97.86 O +ATOM 21 N PRO A 5 4.028 12.156 -32.950 1.00 98.15 N +ATOM 22 CA PRO A 5 2.899 11.519 -32.265 1.00 98.04 C +ATOM 23 C PRO A 5 3.058 11.589 -30.748 1.00 98.28 C +ATOM 24 O PRO A 5 4.164 11.761 -30.220 1.00 98.01 O +ATOM 25 CB PRO A 5 2.938 10.071 -32.770 1.00 97.11 C +ATOM 26 CG PRO A 5 4.386 9.846 -33.055 1.00 95.41 C +ATOM 27 CD PRO A 5 4.878 11.160 -33.621 1.00 97.30 C +ATOM 28 N ALA A 6 1.931 11.433 -30.046 1.00 97.69 N +ATOM 29 CA ALA A 6 1.954 11.435 -28.592 1.00 97.60 C +ATOM 30 C ALA A 6 2.693 10.202 -28.074 1.00 97.75 C +ATOM 31 O ALA A 6 2.701 9.148 -28.719 1.00 96.46 O +ATOM 32 CB ALA A 6 0.524 11.469 -28.040 1.00 96.28 C +ATOM 33 N GLY A 7 3.318 10.340 -26.906 1.00 98.08 N +ATOM 34 CA GLY A 7 4.049 9.228 -26.320 1.00 98.09 C +ATOM 35 C GLY A 7 3.116 8.152 -25.788 1.00 98.34 C +ATOM 36 O GLY A 7 1.901 8.344 -25.705 1.00 98.29 O +ATOM 37 N PRO A 8 3.688 7.007 -25.391 1.00 98.37 N +ATOM 38 CA PRO A 8 2.870 5.913 -24.868 1.00 98.22 C +ATOM 39 C PRO A 8 2.283 6.245 -23.497 1.00 98.41 C +ATOM 40 O PRO A 8 2.782 7.123 -22.782 1.00 98.03 O +ATOM 41 CB PRO A 8 3.848 4.733 -24.784 1.00 97.54 C +ATOM 42 CG PRO A 8 5.164 5.402 -24.562 1.00 95.91 C +ATOM 43 CD PRO A 8 5.105 6.661 -25.405 1.00 97.66 C +ATOM 44 N VAL A 9 1.207 5.520 -23.138 1.00 98.14 N +ATOM 45 CA VAL A 9 0.570 5.701 -21.838 1.00 98.02 C +ATOM 46 C VAL A 9 1.504 5.158 -20.757 1.00 98.13 C +ATOM 47 O VAL A 9 2.107 4.089 -20.923 1.00 97.75 O +ATOM 48 CB VAL A 9 -0.789 4.984 -21.789 1.00 97.13 C +ATOM 49 CG1 VAL A 9 -1.431 5.136 -20.416 1.00 91.29 C +ATOM 50 CG2 VAL A 9 -1.718 5.542 -22.862 1.00 91.34 C +ATOM 51 N ALA A 10 1.620 5.891 -19.650 1.00 97.76 N +ATOM 52 CA ALA A 10 2.487 5.471 -18.556 1.00 97.78 C +ATOM 53 C ALA A 10 1.917 4.223 -17.868 1.00 98.09 C +ATOM 54 O ALA A 10 0.701 4.030 -17.828 1.00 97.90 O +ATOM 55 CB ALA A 10 2.648 6.601 -17.547 1.00 96.77 C +ATOM 56 N PRO A 11 2.787 3.375 -17.285 1.00 98.23 N +ATOM 57 CA PRO A 11 2.308 2.191 -16.581 1.00 98.24 C +ATOM 58 C PRO A 11 1.597 2.570 -15.291 1.00 98.30 C +ATOM 59 O PRO A 11 1.772 3.668 -14.757 1.00 97.97 O +ATOM 60 CB PRO A 11 3.585 1.387 -16.315 1.00 97.39 C +ATOM 61 CG PRO A 11 4.647 2.436 -16.250 1.00 96.19 C +ATOM 62 CD PRO A 11 4.248 3.458 -17.289 1.00 97.56 C +ATOM 63 N ALA A 12 0.784 1.638 -14.775 1.00 98.06 N +ATOM 64 CA ALA A 12 0.057 1.871 -13.538 1.00 98.12 C +ATOM 65 C ALA A 12 1.027 2.021 -12.372 1.00 98.36 C +ATOM 66 O ALA A 12 2.132 1.465 -12.384 1.00 97.27 O +ATOM 67 CB ALA A 12 -0.921 0.724 -13.273 1.00 96.98 C +ATOM 68 N GLY A 13 0.618 2.781 -11.365 1.00 97.97 N +ATOM 69 CA GLY A 13 1.451 2.985 -10.197 1.00 97.82 C +ATOM 70 C GLY A 13 1.608 1.715 -9.379 1.00 98.19 C +ATOM 71 O GLY A 13 0.821 0.771 -9.495 1.00 97.89 O +ATOM 72 N ALA A 14 2.647 1.695 -8.547 1.00 98.32 N +ATOM 73 CA ALA A 14 2.917 0.540 -7.698 1.00 98.34 C +ATOM 74 C ALA A 14 1.852 0.398 -6.618 1.00 98.36 C +ATOM 75 O ALA A 14 1.219 1.370 -6.203 1.00 97.64 O +ATOM 76 CB ALA A 14 4.299 0.672 -7.062 1.00 97.61 C +ATOM 77 N ARG A 15 1.669 -0.835 -6.134 1.00 98.37 N +ATOM 78 CA ARG A 15 0.719 -1.094 -5.056 1.00 98.26 C +ATOM 79 C ARG A 15 1.203 -0.418 -3.776 1.00 98.14 C +ATOM 80 O ARG A 15 2.408 -0.346 -3.519 1.00 97.45 O +ATOM 81 CB ARG A 15 0.572 -2.610 -4.846 1.00 97.16 C +ATOM 82 CG ARG A 15 -0.451 -2.982 -3.787 1.00 93.19 C +ATOM 83 CD ARG A 15 -0.542 -4.483 -3.634 1.00 89.79 C +ATOM 84 NE ARG A 15 -1.535 -4.873 -2.618 1.00 84.22 N +ATOM 85 CZ ARG A 15 -1.800 -6.115 -2.273 1.00 80.58 C +ATOM 86 NH1 ARG A 15 -1.155 -7.119 -2.842 1.00 77.30 N +ATOM 87 NH2 ARG A 15 -2.709 -6.358 -1.354 1.00 75.76 N +ATOM 88 N GLY A 16 0.258 0.077 -2.995 1.00 98.23 N +ATOM 89 CA GLY A 16 0.602 0.739 -1.754 1.00 97.90 C +ATOM 90 C GLY A 16 1.235 -0.215 -0.748 1.00 98.13 C +ATOM 91 O GLY A 16 1.125 -1.433 -0.878 1.00 97.98 O +ATOM 92 N PRO A 17 1.908 0.336 0.280 1.00 98.29 N +ATOM 93 CA PRO A 17 2.557 -0.501 1.292 1.00 98.04 C +ATOM 94 C PRO A 17 1.546 -1.201 2.188 1.00 98.28 C +ATOM 95 O PRO A 17 0.388 -0.800 2.284 1.00 97.87 O +ATOM 96 CB PRO A 17 3.417 0.490 2.078 1.00 97.12 C +ATOM 97 CG PRO A 17 2.654 1.767 1.964 1.00 95.54 C +ATOM 98 CD PRO A 17 2.103 1.765 0.558 1.00 97.22 C +ATOM 99 N ALA A 18 2.013 -2.254 2.852 1.00 97.89 N +ATOM 100 CA ALA A 18 1.168 -2.979 3.792 1.00 97.74 C +ATOM 101 C ALA A 18 0.849 -2.084 4.986 1.00 98.07 C +ATOM 102 O ALA A 18 1.622 -1.190 5.329 1.00 96.93 O +ATOM 103 CB ALA A 18 1.860 -4.253 4.258 1.00 96.33 C +ATOM 104 N GLY A 19 -0.298 -2.345 5.617 1.00 98.29 N +ATOM 105 CA GLY A 19 -0.699 -1.568 6.772 1.00 98.17 C +ATOM 106 C GLY A 19 0.188 -1.827 7.976 1.00 98.33 C +ATOM 107 O GLY A 19 0.976 -2.781 7.982 1.00 98.18 O +ATOM 108 N PRO A 20 0.067 -0.994 9.013 1.00 97.91 N +ATOM 109 CA PRO A 20 0.890 -1.142 10.215 1.00 97.89 C +ATOM 110 C PRO A 20 0.477 -2.355 11.027 1.00 98.13 C +ATOM 111 O PRO A 20 -0.627 -2.872 10.890 1.00 97.81 O +ATOM 112 CB PRO A 20 0.635 0.153 10.977 1.00 96.97 C +ATOM 113 CG PRO A 20 -0.743 0.536 10.565 1.00 95.32 C +ATOM 114 CD PRO A 20 -0.824 0.160 9.103 1.00 96.97 C +HETATM 115 N HYP A 21 1.368 -2.818 11.939 1.00 97.99 N +HETATM 116 CA HYP A 21 1.095 -3.887 12.825 1.00 97.87 C +HETATM 117 C HYP A 21 -0.071 -3.544 13.744 1.00 98.28 C +HETATM 118 O HYP A 21 -0.276 -2.364 14.053 1.00 97.48 O +HETATM 119 CB HYP A 21 2.396 -4.014 13.631 1.00 97.13 C +HETATM 120 CG HYP A 21 3.453 -3.470 12.705 1.00 95.85 C +HETATM 121 CD HYP A 21 2.751 -2.371 12.020 1.00 96.90 C +HETATM 122 OD1 HYP A 21 3.866 -4.444 11.780 1.00 95.47 O +ATOM 123 N GLY A 22 -0.815 -4.537 14.138 1.00 98.11 N +ATOM 124 CA GLY A 22 -1.909 -4.307 15.042 1.00 98.19 C +ATOM 125 C GLY A 22 -1.415 -3.883 16.412 1.00 98.22 C +ATOM 126 O GLY A 22 -0.214 -3.946 16.702 1.00 98.00 O +ATOM 127 N PRO A 23 -2.336 -3.456 17.292 1.00 97.61 N +ATOM 128 CA PRO A 23 -1.954 -3.015 18.632 1.00 97.47 C +ATOM 129 C PRO A 23 -1.459 -4.170 19.488 1.00 97.60 C +ATOM 130 O PRO A 23 -1.777 -5.326 19.233 1.00 96.97 O +ATOM 131 CB PRO A 23 -3.246 -2.411 19.182 1.00 96.30 C +ATOM 132 CG PRO A 23 -4.312 -3.155 18.457 1.00 94.43 C +ATOM 133 CD PRO A 23 -3.769 -3.348 17.069 1.00 96.53 C +HETATM 134 N HYP A 24 -0.697 -3.861 20.553 1.00 97.55 N +HETATM 135 CA HYP A 24 -0.220 -4.853 21.477 1.00 96.99 C +HETATM 136 C HYP A 24 -1.383 -5.560 22.186 1.00 97.57 C +HETATM 137 O HYP A 24 -2.426 -4.963 22.396 1.00 96.90 O +HETATM 138 CB HYP A 24 0.562 -3.964 22.526 1.00 94.88 C +HETATM 139 CG HYP A 24 0.985 -2.728 21.785 1.00 93.15 C +HETATM 140 CD HYP A 24 -0.169 -2.514 20.818 1.00 95.29 C +HETATM 141 OD1 HYP A 24 2.162 -2.955 21.022 1.00 93.08 O +ATOM 142 N GLY A 25 -1.186 -6.825 22.492 1.00 96.11 N +ATOM 143 CA GLY A 25 -2.197 -7.576 23.189 1.00 96.35 C +ATOM 144 C GLY A 25 -2.365 -7.074 24.609 1.00 96.94 C +ATOM 145 O GLY A 25 -1.556 -6.285 25.107 1.00 96.40 O +ATOM 146 N PRO A 26 -3.409 -7.545 25.315 1.00 95.73 N +ATOM 147 CA PRO A 26 -3.658 -7.112 26.684 1.00 95.47 C +ATOM 148 C PRO A 26 -2.604 -7.650 27.642 1.00 95.72 C +ATOM 149 O PRO A 26 -1.944 -8.648 27.358 1.00 94.50 O +ATOM 150 CB PRO A 26 -5.044 -7.670 26.984 1.00 93.62 C +ATOM 151 CG PRO A 26 -5.133 -8.867 26.105 1.00 91.87 C +ATOM 152 CD PRO A 26 -4.424 -8.472 24.834 1.00 94.30 C +HETATM 153 N HYP A 27 -2.435 -7.036 28.829 1.00 95.99 N +HETATM 154 CA HYP A 27 -1.509 -7.474 29.818 1.00 94.47 C +HETATM 155 C HYP A 27 -1.848 -8.858 30.378 1.00 95.89 C +HETATM 156 O HYP A 27 -2.997 -9.234 30.376 1.00 94.97 O +HETATM 157 CB HYP A 27 -1.743 -6.428 30.997 1.00 92.87 C +HETATM 158 CG HYP A 27 -2.323 -5.190 30.330 1.00 91.03 C +HETATM 159 CD HYP A 27 -3.130 -5.782 29.178 1.00 93.16 C +HETATM 160 OD1 HYP A 27 -1.285 -4.378 29.785 1.00 90.49 O +ATOM 161 N GLY A 28 -0.843 -9.592 30.764 1.00 91.72 N +ATOM 162 CA GLY A 28 -1.063 -10.895 31.337 1.00 91.27 C +ATOM 163 C GLY A 28 -1.748 -10.790 32.692 1.00 92.03 C +ATOM 164 O GLY A 28 -1.870 -9.697 33.247 1.00 90.43 O +ATOM 165 N PRO A 29 -2.174 -11.925 33.280 1.00 92.80 N +ATOM 166 CA PRO A 29 -2.850 -11.900 34.571 1.00 92.97 C +ATOM 167 C PRO A 29 -1.895 -11.511 35.686 1.00 92.44 C +ATOM 168 O PRO A 29 -0.686 -11.715 35.579 1.00 88.79 O +ATOM 169 CB PRO A 29 -3.361 -13.331 34.730 1.00 89.62 C +ATOM 170 CG PRO A 29 -2.404 -14.133 33.927 1.00 86.58 C +ATOM 171 CD PRO A 29 -2.065 -13.272 32.746 1.00 89.70 C +HETATM 172 N HYP A 30 -2.431 -10.969 36.811 1.00 94.59 N +HETATM 173 CA HYP A 30 -1.504 -10.678 37.873 1.00 90.31 C +HETATM 174 C HYP A 30 -1.080 -12.035 38.505 1.00 90.27 C +HETATM 175 O HYP A 30 0.017 -12.149 38.890 1.00 90.03 O +HETATM 176 CB HYP A 30 -2.416 -9.949 38.944 1.00 87.30 C +HETATM 177 CG HYP A 30 -3.626 -9.404 38.216 1.00 86.62 C +HETATM 178 CD HYP A 30 -3.784 -10.366 37.017 1.00 90.70 C +HETATM 179 OD1 HYP A 30 -3.309 -8.129 37.733 1.00 84.12 O +HETATM 180 OXT HYP A 30 -1.929 -12.963 38.575 1.00 89.25 O +TER 181 HYP A 30 +END diff --git a/protein_pdb_596.txt b/protein_pdb_596.txt new file mode 100644 index 0000000000000000000000000000000000000000..dcefea2cf9c38dff477c8ed1e845f505e968ca68 --- /dev/null +++ b/protein_pdb_596.txt @@ -0,0 +1,198 @@ +ATOM 1 N GLY A 1 -13.255 37.151 -26.121 1.00 90.64 N +ATOM 2 CA GLY A 1 -12.234 37.452 -25.120 1.00 92.10 C +ATOM 3 C GLY A 1 -11.117 36.430 -25.131 1.00 92.44 C +ATOM 4 O GLY A 1 -11.214 35.416 -25.832 1.00 88.86 O +ATOM 5 N PRO A 2 -10.066 36.643 -24.344 1.00 96.92 N +ATOM 6 CA PRO A 2 -8.948 35.691 -24.295 1.00 96.87 C +ATOM 7 C PRO A 2 -9.367 34.376 -23.638 1.00 97.20 C +ATOM 8 O PRO A 2 -10.335 34.324 -22.892 1.00 96.00 O +ATOM 9 CB PRO A 2 -7.891 36.425 -23.472 1.00 94.36 C +ATOM 10 CG PRO A 2 -8.697 37.326 -22.598 1.00 91.81 C +ATOM 11 CD PRO A 2 -9.835 37.789 -23.475 1.00 93.98 C +HETATM 12 N HYP A 3 -8.675 33.364 -23.942 1.00 96.09 N +HETATM 13 CA HYP A 3 -8.875 32.060 -23.343 1.00 95.96 C +HETATM 14 C HYP A 3 -8.757 32.079 -21.819 1.00 95.47 C +HETATM 15 O HYP A 3 -7.946 32.845 -21.266 1.00 95.54 O +HETATM 16 CB HYP A 3 -7.816 31.143 -23.968 1.00 95.69 C +HETATM 17 CG HYP A 3 -7.507 31.818 -25.276 1.00 94.88 C +HETATM 18 CD HYP A 3 -7.647 33.303 -24.955 1.00 95.59 C +HETATM 19 OD1 HYP A 3 -8.388 31.478 -26.302 1.00 94.64 O +ATOM 20 N GLY A 4 -9.577 31.223 -21.163 1.00 96.40 N +ATOM 21 CA GLY A 4 -9.560 31.159 -19.721 1.00 95.60 C +ATOM 22 C GLY A 4 -8.250 30.600 -19.188 1.00 95.65 C +ATOM 23 O GLY A 4 -7.452 30.010 -19.927 1.00 94.95 O +ATOM 24 N LEU A 5 -8.045 30.771 -17.878 1.00 96.08 N +ATOM 25 CA LEU A 5 -6.847 30.261 -17.220 1.00 95.25 C +ATOM 26 C LEU A 5 -6.891 28.736 -17.142 1.00 95.12 C +ATOM 27 O LEU A 5 -7.962 28.128 -17.161 1.00 94.28 O +ATOM 28 CB LEU A 5 -6.719 30.848 -15.817 1.00 92.47 C +ATOM 29 CG LEU A 5 -6.552 32.371 -15.738 1.00 84.23 C +ATOM 30 CD1 LEU A 5 -6.579 32.812 -14.278 1.00 82.51 C +ATOM 31 CD2 LEU A 5 -5.261 32.799 -16.399 1.00 80.03 C +ATOM 32 N ALA A 6 -5.711 28.110 -17.020 1.00 95.53 N +ATOM 33 CA ALA A 6 -5.637 26.663 -16.883 1.00 95.19 C +ATOM 34 C ALA A 6 -6.347 26.222 -15.606 1.00 95.38 C +ATOM 35 O ALA A 6 -6.365 26.948 -14.610 1.00 93.91 O +ATOM 36 CB ALA A 6 -4.176 26.213 -16.844 1.00 91.94 C +ATOM 37 N GLY A 7 -6.929 25.021 -15.644 1.00 96.46 N +ATOM 38 CA GLY A 7 -7.623 24.509 -14.478 1.00 96.03 C +ATOM 39 C GLY A 7 -6.685 24.178 -13.338 1.00 96.28 C +ATOM 40 O GLY A 7 -5.467 24.042 -13.530 1.00 96.16 O +ATOM 41 N ALA A 8 -7.254 24.031 -12.156 1.00 97.44 N +ATOM 42 CA ALA A 8 -6.487 23.698 -10.967 1.00 97.37 C +ATOM 43 C ALA A 8 -5.972 22.268 -11.049 1.00 97.55 C +ATOM 44 O ALA A 8 -6.564 21.418 -11.713 1.00 96.29 O +ATOM 45 CB ALA A 8 -7.352 23.860 -9.727 1.00 95.44 C +HETATM 46 N HYP A 9 -4.887 22.015 -10.379 1.00 97.15 N +HETATM 47 CA HYP A 9 -4.361 20.658 -10.296 1.00 97.16 C +HETATM 48 C HYP A 9 -5.299 19.692 -9.673 1.00 96.66 C +HETATM 49 O HYP A 9 -6.077 20.059 -8.778 1.00 95.76 O +HETATM 50 CB HYP A 9 -3.046 20.787 -9.441 1.00 96.60 C +HETATM 51 CG HYP A 9 -2.639 22.219 -9.606 1.00 96.23 C +HETATM 52 CD HYP A 9 -3.953 22.943 -9.740 1.00 95.91 C +HETATM 53 OD1 HYP A 9 -1.864 22.410 -10.774 1.00 94.20 O +ATOM 54 N GLY A 10 -5.272 18.425 -10.120 1.00 97.54 N +ATOM 55 CA GLY A 10 -6.119 17.398 -9.567 1.00 97.14 C +ATOM 56 C GLY A 10 -5.736 17.067 -8.130 1.00 97.48 C +ATOM 57 O GLY A 10 -4.683 17.486 -7.637 1.00 97.24 O +ATOM 58 N LEU A 11 -6.602 16.290 -7.461 1.00 97.13 N +ATOM 59 CA LEU A 11 -6.345 15.884 -6.086 1.00 96.89 C +ATOM 60 C LEU A 11 -5.174 14.919 -6.012 1.00 96.75 C +ATOM 61 O LEU A 11 -4.919 14.159 -6.948 1.00 95.84 O +ATOM 62 CB LEU A 11 -7.581 15.216 -5.490 1.00 95.46 C +ATOM 63 CG LEU A 11 -8.830 16.092 -5.414 1.00 89.76 C +ATOM 64 CD1 LEU A 11 -9.996 15.266 -4.883 1.00 87.16 C +ATOM 65 CD2 LEU A 11 -8.585 17.305 -4.536 1.00 85.22 C +ATOM 66 N ARG A 12 -4.471 14.911 -4.868 1.00 96.96 N +ATOM 67 CA ARG A 12 -3.350 14.002 -4.672 1.00 96.35 C +ATOM 68 C ARG A 12 -3.878 12.575 -4.592 1.00 96.18 C +ATOM 69 O ARG A 12 -4.930 12.325 -4.002 1.00 94.86 O +ATOM 70 CB ARG A 12 -2.595 14.355 -3.388 1.00 93.93 C +ATOM 71 CG ARG A 12 -1.365 13.490 -3.157 1.00 89.60 C +ATOM 72 CD ARG A 12 -0.690 13.837 -1.852 1.00 86.54 C +ATOM 73 NE ARG A 12 0.526 13.050 -1.653 1.00 81.26 N +ATOM 74 CZ ARG A 12 1.259 13.071 -0.560 1.00 77.06 C +ATOM 75 NH1 ARG A 12 0.924 13.834 0.472 1.00 73.41 N +ATOM 76 NH2 ARG A 12 2.346 12.321 -0.479 1.00 74.39 N +ATOM 77 N GLY A 13 -3.157 11.655 -5.186 1.00 96.81 N +ATOM 78 CA GLY A 13 -3.558 10.258 -5.139 1.00 96.26 C +ATOM 79 C GLY A 13 -3.521 9.720 -3.725 1.00 96.20 C +ATOM 80 O GLY A 13 -2.797 10.225 -2.865 1.00 95.98 O +ATOM 81 N GLY A 14 -4.310 8.691 -3.479 1.00 96.95 N +ATOM 82 CA GLY A 14 -4.354 8.085 -2.164 1.00 96.47 C +ATOM 83 C GLY A 14 -3.114 7.254 -1.872 1.00 96.84 C +ATOM 84 O GLY A 14 -2.331 6.957 -2.767 1.00 95.73 O +ATOM 85 N ALA A 15 -2.955 6.857 -0.612 1.00 97.22 N +ATOM 86 CA ALA A 15 -1.819 6.040 -0.208 1.00 97.37 C +ATOM 87 C ALA A 15 -1.902 4.681 -0.884 1.00 97.40 C +ATOM 88 O ALA A 15 -2.987 4.162 -1.147 1.00 96.31 O +ATOM 89 CB ALA A 15 -1.810 5.863 1.305 1.00 95.80 C +ATOM 90 N GLY A 16 -0.736 4.100 -1.171 1.00 98.07 N +ATOM 91 CA GLY A 16 -0.689 2.790 -1.793 1.00 97.67 C +ATOM 92 C GLY A 16 -1.145 1.704 -0.832 1.00 97.81 C +ATOM 93 O GLY A 16 -1.300 1.946 0.365 1.00 97.75 O +ATOM 94 N PRO A 17 -1.362 0.489 -1.348 1.00 97.73 N +ATOM 95 CA PRO A 17 -1.810 -0.621 -0.508 1.00 97.65 C +ATOM 96 C PRO A 17 -0.697 -1.101 0.417 1.00 97.84 C +ATOM 97 O PRO A 17 0.476 -0.863 0.173 1.00 97.59 O +ATOM 98 CB PRO A 17 -2.192 -1.696 -1.525 1.00 96.37 C +ATOM 99 CG PRO A 17 -1.293 -1.421 -2.675 1.00 94.80 C +ATOM 100 CD PRO A 17 -1.225 0.086 -2.751 1.00 96.64 C +HETATM 101 N HYP A 18 -1.042 -1.788 1.490 1.00 96.95 N +HETATM 102 CA HYP A 18 -0.107 -2.401 2.380 1.00 97.39 C +HETATM 103 C HYP A 18 0.816 -3.374 1.679 1.00 97.08 C +HETATM 104 O HYP A 18 0.409 -4.022 0.686 1.00 96.43 O +HETATM 105 CB HYP A 18 -0.992 -3.115 3.406 1.00 95.83 C +HETATM 106 CG HYP A 18 -2.286 -2.329 3.369 1.00 94.82 C +HETATM 107 CD HYP A 18 -2.409 -1.948 1.933 1.00 95.90 C +HETATM 108 OD1 HYP A 18 -2.230 -1.154 4.179 1.00 93.80 O +ATOM 109 N GLY A 19 2.028 -3.486 2.110 1.00 97.60 N +ATOM 110 CA GLY A 19 2.959 -4.422 1.535 1.00 97.39 C +ATOM 111 C GLY A 19 2.537 -5.849 1.840 1.00 97.64 C +ATOM 112 O GLY A 19 1.624 -6.086 2.637 1.00 97.60 O +ATOM 113 N PRO A 20 3.206 -6.830 1.216 1.00 97.40 N +ATOM 114 CA PRO A 20 2.866 -8.233 1.442 1.00 97.26 C +ATOM 115 C PRO A 20 3.274 -8.681 2.840 1.00 97.52 C +ATOM 116 O PRO A 20 4.136 -8.082 3.469 1.00 97.30 O +ATOM 117 CB PRO A 20 3.658 -8.960 0.357 1.00 95.86 C +ATOM 118 CG PRO A 20 4.834 -8.083 0.139 1.00 94.42 C +ATOM 119 CD PRO A 20 4.288 -6.683 0.245 1.00 96.39 C +HETATM 120 N HYP A 21 2.689 -9.743 3.324 1.00 96.68 N +HETATM 121 CA HYP A 21 3.047 -10.339 4.583 1.00 96.36 C +HETATM 122 C HYP A 21 4.507 -10.777 4.623 1.00 97.08 C +HETATM 123 O HYP A 21 5.059 -11.196 3.575 1.00 95.58 O +HETATM 124 CB HYP A 21 2.103 -11.542 4.712 1.00 95.50 C +HETATM 125 CG HYP A 21 0.896 -11.152 3.900 1.00 93.41 C +HETATM 126 CD HYP A 21 1.492 -10.393 2.754 1.00 95.72 C +HETATM 127 OD1 HYP A 21 0.020 -10.292 4.623 1.00 93.34 O +ATOM 128 N GLY A 22 5.125 -10.678 5.778 1.00 97.12 N +ATOM 129 CA GLY A 22 6.493 -11.100 5.936 1.00 96.88 C +ATOM 130 C GLY A 22 6.601 -12.609 5.799 1.00 97.13 C +ATOM 131 O GLY A 22 5.594 -13.317 5.723 1.00 97.12 O +ATOM 132 N PRO A 23 7.838 -13.135 5.781 1.00 97.13 N +ATOM 133 CA PRO A 23 8.040 -14.574 5.640 1.00 96.97 C +ATOM 134 C PRO A 23 7.566 -15.324 6.876 1.00 97.22 C +ATOM 135 O PRO A 23 7.511 -14.768 7.969 1.00 96.87 O +ATOM 136 CB PRO A 23 9.543 -14.697 5.433 1.00 95.47 C +ATOM 137 CG PRO A 23 10.091 -13.508 6.134 1.00 93.84 C +ATOM 138 CD PRO A 23 9.101 -12.407 5.854 1.00 96.29 C +HETATM 139 N HYP A 24 7.253 -16.592 6.722 1.00 96.98 N +HETATM 140 CA HYP A 24 6.864 -17.427 7.817 1.00 96.18 C +HETATM 141 C HYP A 24 7.974 -17.535 8.874 1.00 96.76 C +HETATM 142 O HYP A 24 9.166 -17.451 8.548 1.00 95.55 O +HETATM 143 CB HYP A 24 6.647 -18.804 7.145 1.00 94.77 C +HETATM 144 CG HYP A 24 6.273 -18.483 5.720 1.00 93.35 C +HETATM 145 CD HYP A 24 7.140 -17.261 5.427 1.00 95.56 C +HETATM 146 OD1 HYP A 24 4.905 -18.141 5.616 1.00 92.65 O +ATOM 147 N GLY A 25 7.566 -17.698 10.124 1.00 96.30 N +ATOM 148 CA GLY A 25 8.513 -17.862 11.189 1.00 95.99 C +ATOM 149 C GLY A 25 9.246 -19.187 11.057 1.00 96.33 C +ATOM 150 O GLY A 25 8.893 -20.019 10.215 1.00 96.25 O +ATOM 151 N PRO A 26 10.269 -19.416 11.890 1.00 96.60 N +ATOM 152 CA PRO A 26 11.026 -20.652 11.816 1.00 96.35 C +ATOM 153 C PRO A 26 10.195 -21.840 12.289 1.00 96.63 C +ATOM 154 O PRO A 26 9.239 -21.675 13.047 1.00 96.01 O +ATOM 155 CB PRO A 26 12.218 -20.395 12.735 1.00 94.77 C +ATOM 156 CG PRO A 26 11.690 -19.408 13.718 1.00 93.29 C +ATOM 157 CD PRO A 26 10.792 -18.512 12.909 1.00 95.78 C +HETATM 158 N HYP A 27 10.581 -23.039 11.884 1.00 96.05 N +HETATM 159 CA HYP A 27 9.878 -24.231 12.305 1.00 95.47 C +HETATM 160 C HYP A 27 9.954 -24.417 13.814 1.00 95.75 C +HETATM 161 O HYP A 27 10.931 -24.010 14.458 1.00 94.45 O +HETATM 162 CB HYP A 27 10.692 -25.354 11.602 1.00 93.59 C +HETATM 163 CG HYP A 27 11.316 -24.691 10.362 1.00 91.82 C +HETATM 164 CD HYP A 27 11.621 -23.293 10.869 1.00 94.07 C +HETATM 165 OD1 HYP A 27 10.385 -24.597 9.299 1.00 90.65 O +ATOM 166 N GLY A 28 8.909 -25.011 14.376 1.00 95.03 N +ATOM 167 CA GLY A 28 8.902 -25.295 15.784 1.00 94.56 C +ATOM 168 C GLY A 28 9.914 -26.379 16.115 1.00 95.21 C +ATOM 169 O GLY A 28 10.495 -26.997 15.218 1.00 95.24 O +ATOM 170 N PRO A 29 10.136 -26.647 17.406 1.00 95.70 N +ATOM 171 CA PRO A 29 11.097 -27.678 17.798 1.00 95.46 C +ATOM 172 C PRO A 29 10.599 -29.064 17.398 1.00 95.51 C +ATOM 173 O PRO A 29 9.399 -29.287 17.268 1.00 94.51 O +ATOM 174 CB PRO A 29 11.199 -27.517 19.308 1.00 93.11 C +ATOM 175 CG PRO A 29 9.898 -26.918 19.685 1.00 91.26 C +ATOM 176 CD PRO A 29 9.546 -25.981 18.558 1.00 94.32 C +HETATM 177 N HYP A 30 11.538 -30.039 17.234 1.00 93.08 N +HETATM 178 CA HYP A 30 11.174 -31.364 16.838 1.00 94.39 C +HETATM 179 C HYP A 30 10.332 -32.047 17.865 1.00 89.75 C +HETATM 180 O HYP A 30 10.524 -31.881 19.073 1.00 90.46 O +HETATM 181 CB HYP A 30 12.582 -32.084 16.714 1.00 89.31 C +HETATM 182 CG HYP A 30 13.582 -30.967 16.470 1.00 87.97 C +HETATM 183 CD HYP A 30 12.984 -29.785 17.247 1.00 90.63 C +HETATM 184 OD1 HYP A 30 13.643 -30.629 15.096 1.00 87.31 O +ATOM 185 N GLY A 31 9.307 -32.845 17.373 1.00 89.65 N +ATOM 186 CA GLY A 31 8.434 -33.565 18.261 1.00 86.77 C +ATOM 187 C GLY A 31 9.174 -34.695 18.959 1.00 84.60 C +ATOM 188 O GLY A 31 10.159 -35.225 18.446 1.00 80.28 O +ATOM 189 N VAL A 32 8.694 -35.070 20.157 1.00 92.02 N +ATOM 190 CA VAL A 32 9.277 -36.164 20.925 1.00 89.84 C +ATOM 191 C VAL A 32 8.154 -37.046 21.479 1.00 85.57 C +ATOM 192 O VAL A 32 6.984 -36.663 21.423 1.00 81.75 O +ATOM 193 CB VAL A 32 10.155 -35.644 22.089 1.00 81.19 C +ATOM 194 CG1 VAL A 32 11.373 -34.929 21.552 1.00 70.76 C +ATOM 195 CG2 VAL A 32 9.350 -34.726 22.990 1.00 72.93 C +ATOM 196 OXT VAL A 32 8.445 -38.153 21.978 1.00 70.09 O +TER 197 VAL A 32 +END diff --git a/protein_pdb_597.txt b/protein_pdb_597.txt new file mode 100644 index 0000000000000000000000000000000000000000..1d97c523ec1ee98c6e1726404a692ef317bc4949 --- /dev/null +++ b/protein_pdb_597.txt @@ -0,0 +1,193 @@ +ATOM 1 N GLY A 1 -25.429 23.461 -16.649 1.00 91.96 N +ATOM 2 CA GLY A 1 -25.011 23.121 -15.288 1.00 94.33 C +ATOM 3 C GLY A 1 -23.526 23.334 -15.093 1.00 94.49 C +ATOM 4 O GLY A 1 -22.787 23.446 -16.069 1.00 92.23 O +ATOM 5 N ARG A 2 -23.096 23.349 -13.845 1.00 96.66 N +ATOM 6 CA ARG A 2 -21.686 23.561 -13.546 1.00 96.89 C +ATOM 7 C ARG A 2 -20.879 22.310 -13.851 1.00 97.57 C +ATOM 8 O ARG A 2 -21.397 21.201 -13.836 1.00 97.21 O +ATOM 9 CB ARG A 2 -21.504 23.961 -12.081 1.00 95.21 C +ATOM 10 CG ARG A 2 -21.891 22.880 -11.088 1.00 89.62 C +ATOM 11 CD ARG A 2 -21.589 23.293 -9.665 1.00 86.38 C +ATOM 12 NE ARG A 2 -22.787 23.278 -8.837 1.00 82.14 N +ATOM 13 CZ ARG A 2 -23.652 24.293 -8.760 1.00 79.35 C +ATOM 14 NH1 ARG A 2 -23.452 25.400 -9.443 1.00 75.20 N +ATOM 15 NH2 ARG A 2 -24.711 24.179 -7.985 1.00 74.91 N +HETATM 16 N HYP A 3 -19.664 22.503 -14.132 1.00 97.27 N +HETATM 17 CA HYP A 3 -18.728 21.393 -14.388 1.00 97.50 C +HETATM 18 C HYP A 3 -18.631 20.420 -13.235 1.00 98.13 C +HETATM 19 O HYP A 3 -18.743 20.829 -12.053 1.00 97.26 O +HETATM 20 CB HYP A 3 -17.396 22.078 -14.685 1.00 96.90 C +HETATM 21 CG HYP A 3 -17.763 23.465 -15.090 1.00 96.40 C +HETATM 22 CD HYP A 3 -19.023 23.789 -14.256 1.00 96.30 C +HETATM 23 OD1 HYP A 3 -18.071 23.560 -16.440 1.00 95.54 O +ATOM 24 N GLY A 4 -18.394 19.156 -13.547 1.00 97.24 N +ATOM 25 CA GLY A 4 -18.281 18.138 -12.526 1.00 96.89 C +ATOM 26 C GLY A 4 -17.056 18.362 -11.649 1.00 96.97 C +ATOM 27 O GLY A 4 -16.071 18.962 -12.077 1.00 96.78 O +ATOM 28 N ARG A 5 -17.134 17.838 -10.399 1.00 97.58 N +ATOM 29 CA ARG A 5 -16.021 17.972 -9.458 1.00 97.02 C +ATOM 30 C ARG A 5 -14.914 16.994 -9.807 1.00 97.49 C +ATOM 31 O ARG A 5 -15.160 15.929 -10.370 1.00 97.04 O +ATOM 32 CB ARG A 5 -16.508 17.707 -8.036 1.00 95.68 C +ATOM 33 CG ARG A 5 -17.513 18.726 -7.547 1.00 90.73 C +ATOM 34 CD ARG A 5 -18.123 18.287 -6.240 1.00 87.41 C +ATOM 35 NE ARG A 5 -18.900 17.069 -6.421 1.00 82.25 N +ATOM 36 CZ ARG A 5 -19.563 16.465 -5.454 1.00 79.55 C +ATOM 37 NH1 ARG A 5 -19.570 16.942 -4.221 1.00 76.04 N +ATOM 38 NH2 ARG A 5 -20.238 15.347 -5.706 1.00 76.02 N +ATOM 39 N LYS A 6 -13.684 17.344 -9.450 1.00 97.04 N +ATOM 40 CA LYS A 6 -12.549 16.463 -9.686 1.00 97.10 C +ATOM 41 C LYS A 6 -12.703 15.205 -8.831 1.00 97.58 C +ATOM 42 O LYS A 6 -13.180 15.264 -7.704 1.00 97.14 O +ATOM 43 CB LYS A 6 -11.244 17.187 -9.340 1.00 95.80 C +ATOM 44 CG LYS A 6 -9.993 16.380 -9.665 1.00 90.93 C +ATOM 45 CD LYS A 6 -8.737 17.190 -9.425 1.00 88.00 C +ATOM 46 CE LYS A 6 -7.495 16.401 -9.795 1.00 81.81 C +ATOM 47 NZ LYS A 6 -6.278 17.207 -9.625 1.00 77.87 N +ATOM 48 N GLY A 7 -12.303 14.083 -9.390 1.00 97.37 N +ATOM 49 CA GLY A 7 -12.409 12.830 -8.666 1.00 97.05 C +ATOM 50 C GLY A 7 -11.514 12.797 -7.448 1.00 97.29 C +ATOM 51 O GLY A 7 -10.488 13.474 -7.405 1.00 97.20 O +ATOM 52 N ARG A 8 -11.917 11.997 -6.471 1.00 98.09 N +ATOM 53 CA ARG A 8 -11.142 11.888 -5.246 1.00 98.05 C +ATOM 54 C ARG A 8 -9.986 10.924 -5.427 1.00 98.36 C +ATOM 55 O ARG A 8 -10.030 10.053 -6.287 1.00 98.11 O +ATOM 56 CB ARG A 8 -12.033 11.456 -4.085 1.00 97.23 C +ATOM 57 CG ARG A 8 -12.660 10.084 -4.240 1.00 93.54 C +ATOM 58 CD ARG A 8 -13.641 9.838 -3.111 1.00 90.31 C +ATOM 59 NE ARG A 8 -14.159 8.481 -3.106 1.00 85.48 N +ATOM 60 CZ ARG A 8 -13.538 7.451 -2.540 1.00 83.09 C +ATOM 61 NH1 ARG A 8 -12.370 7.607 -1.932 1.00 79.20 N +ATOM 62 NH2 ARG A 8 -14.081 6.255 -2.590 1.00 80.16 N +HETATM 63 N HYP A 9 -8.986 11.070 -4.620 1.00 98.09 N +HETATM 64 CA HYP A 9 -7.786 10.212 -4.694 1.00 98.02 C +HETATM 65 C HYP A 9 -8.123 8.773 -4.507 1.00 98.24 C +HETATM 66 O HYP A 9 -9.047 8.418 -3.731 1.00 97.75 O +HETATM 67 CB HYP A 9 -6.878 10.729 -3.556 1.00 96.39 C +HETATM 68 CG HYP A 9 -7.367 12.139 -3.281 1.00 95.78 C +HETATM 69 CD HYP A 9 -8.846 12.077 -3.584 1.00 96.67 C +HETATM 70 OD1 HYP A 9 -6.740 13.047 -4.167 1.00 94.63 O +ATOM 71 N GLY A 10 -7.385 7.865 -5.143 1.00 97.78 N +ATOM 72 CA GLY A 10 -7.602 6.449 -5.000 1.00 97.46 C +ATOM 73 C GLY A 10 -7.140 5.951 -3.640 1.00 97.64 C +ATOM 74 O GLY A 10 -6.377 6.615 -2.938 1.00 97.25 O +ATOM 75 N VAL A 11 -7.613 4.749 -3.291 1.00 97.97 N +ATOM 76 CA VAL A 11 -7.242 4.124 -2.028 1.00 97.60 C +ATOM 77 C VAL A 11 -5.791 3.661 -2.097 1.00 97.85 C +ATOM 78 O VAL A 11 -5.344 3.163 -3.131 1.00 97.46 O +ATOM 79 CB VAL A 11 -8.172 2.935 -1.729 1.00 97.10 C +ATOM 80 CG1 VAL A 11 -7.755 2.226 -0.448 1.00 94.14 C +ATOM 81 CG2 VAL A 11 -9.612 3.411 -1.617 1.00 93.32 C +ATOM 82 N ARG A 12 -5.057 3.803 -0.985 1.00 97.65 N +ATOM 83 CA ARG A 12 -3.666 3.366 -0.937 1.00 97.52 C +ATOM 84 C ARG A 12 -3.600 1.851 -1.089 1.00 97.75 C +ATOM 85 O ARG A 12 -4.402 1.128 -0.515 1.00 97.16 O +ATOM 86 CB ARG A 12 -3.020 3.795 0.384 1.00 96.22 C +ATOM 87 CG ARG A 12 -1.573 3.333 0.500 1.00 90.19 C +ATOM 88 CD ARG A 12 -0.945 3.787 1.786 1.00 86.68 C +ATOM 89 NE ARG A 12 -0.750 5.230 1.801 1.00 81.24 N +ATOM 90 CZ ARG A 12 -0.219 5.896 2.812 1.00 77.93 C +ATOM 91 NH1 ARG A 12 0.166 5.257 3.903 1.00 73.84 N +ATOM 92 NH2 ARG A 12 -0.066 7.199 2.734 1.00 72.67 N +ATOM 93 N GLY A 13 -2.635 1.411 -1.864 1.00 97.40 N +ATOM 94 CA GLY A 13 -2.464 -0.012 -2.080 1.00 97.04 C +ATOM 95 C GLY A 13 -1.969 -0.726 -0.833 1.00 97.40 C +ATOM 96 O GLY A 13 -1.522 -0.084 0.124 1.00 97.43 O +ATOM 97 N PRO A 14 -2.012 -2.068 -0.831 1.00 97.89 N +ATOM 98 CA PRO A 14 -1.557 -2.822 0.332 1.00 97.67 C +ATOM 99 C PRO A 14 -0.047 -2.746 0.489 1.00 97.97 C +ATOM 100 O PRO A 14 0.686 -2.480 -0.465 1.00 97.46 O +ATOM 101 CB PRO A 14 -2.022 -4.246 0.034 1.00 96.69 C +ATOM 102 CG PRO A 14 -2.006 -4.313 -1.455 1.00 95.10 C +ATOM 103 CD PRO A 14 -2.484 -2.948 -1.893 1.00 96.98 C +ATOM 104 N ARG A 15 0.420 -2.990 1.712 1.00 97.68 N +ATOM 105 CA ARG A 15 1.849 -3.000 1.982 1.00 97.75 C +ATOM 106 C ARG A 15 2.492 -4.188 1.277 1.00 97.98 C +ATOM 107 O ARG A 15 1.876 -5.245 1.134 1.00 97.36 O +ATOM 108 CB ARG A 15 2.081 -3.083 3.493 1.00 96.42 C +ATOM 109 CG ARG A 15 3.534 -2.972 3.890 1.00 89.86 C +ATOM 110 CD ARG A 15 3.677 -2.938 5.401 1.00 86.63 C +ATOM 111 NE ARG A 15 3.076 -1.741 5.972 1.00 81.09 N +ATOM 112 CZ ARG A 15 3.658 -0.547 6.008 1.00 77.12 C +ATOM 113 NH1 ARG A 15 4.875 -0.377 5.508 1.00 72.77 N +ATOM 114 NH2 ARG A 15 3.028 0.471 6.543 1.00 71.28 N +ATOM 115 N GLY A 16 3.724 -4.002 0.844 1.00 98.23 N +ATOM 116 CA GLY A 16 4.438 -5.058 0.161 1.00 97.90 C +ATOM 117 C GLY A 16 4.759 -6.236 1.065 1.00 98.12 C +ATOM 118 O GLY A 16 4.570 -6.154 2.285 1.00 98.14 O +ATOM 119 N PRO A 17 5.259 -7.333 0.491 1.00 97.84 N +ATOM 120 CA PRO A 17 5.575 -8.526 1.272 1.00 97.66 C +ATOM 121 C PRO A 17 6.780 -8.318 2.173 1.00 97.93 C +ATOM 122 O PRO A 17 7.598 -7.435 1.934 1.00 97.66 O +ATOM 123 CB PRO A 17 5.854 -9.583 0.204 1.00 96.71 C +ATOM 124 CG PRO A 17 6.371 -8.788 -0.944 1.00 95.26 C +ATOM 125 CD PRO A 17 5.548 -7.519 -0.924 1.00 96.95 C +HETATM 126 N HYP A 18 6.921 -9.146 3.183 1.00 98.18 N +HETATM 127 CA HYP A 18 8.034 -9.135 4.072 1.00 97.67 C +HETATM 128 C HYP A 18 9.341 -9.431 3.322 1.00 98.37 C +HETATM 129 O HYP A 18 9.310 -10.148 2.302 1.00 97.83 O +HETATM 130 CB HYP A 18 7.735 -10.261 5.049 1.00 97.41 C +HETATM 131 CG HYP A 18 6.226 -10.397 5.027 1.00 95.77 C +HETATM 132 CD HYP A 18 5.896 -10.092 3.594 1.00 96.68 C +HETATM 133 OD1 HYP A 18 5.606 -9.454 5.891 1.00 95.48 O +ATOM 134 N GLY A 19 10.418 -8.895 3.776 1.00 98.31 N +ATOM 135 CA GLY A 19 11.693 -9.158 3.175 1.00 98.27 C +ATOM 136 C GLY A 19 12.124 -10.600 3.420 1.00 98.33 C +ATOM 137 O GLY A 19 11.492 -11.323 4.196 1.00 98.29 O +ATOM 138 N PRO A 20 13.202 -11.018 2.767 1.00 97.80 N +ATOM 139 CA PRO A 20 13.692 -12.387 2.928 1.00 97.67 C +ATOM 140 C PRO A 20 14.292 -12.601 4.306 1.00 97.81 C +ATOM 141 O PRO A 20 14.702 -11.659 4.974 1.00 97.45 O +ATOM 142 CB PRO A 20 14.747 -12.503 1.828 1.00 96.72 C +ATOM 143 CG PRO A 20 15.242 -11.111 1.671 1.00 95.11 C +ATOM 144 CD PRO A 20 14.020 -10.246 1.838 1.00 96.96 C +HETATM 145 N HYP A 21 14.361 -13.844 4.730 1.00 97.96 N +HETATM 146 CA HYP A 21 15.010 -14.213 5.974 1.00 97.48 C +HETATM 147 C HYP A 21 16.475 -13.799 6.007 1.00 97.99 C +HETATM 148 O HYP A 21 17.132 -13.813 4.967 1.00 97.83 O +HETATM 149 CB HYP A 21 14.886 -15.751 5.995 1.00 96.73 C +HETATM 150 CG HYP A 21 13.666 -16.066 5.153 1.00 94.95 C +HETATM 151 CD HYP A 21 13.719 -14.987 4.086 1.00 96.19 C +HETATM 152 OD1 HYP A 21 12.469 -15.906 5.908 1.00 95.01 O +ATOM 153 N GLY A 22 16.954 -13.437 7.168 1.00 97.80 N +ATOM 154 CA GLY A 22 18.328 -13.042 7.321 1.00 97.77 C +ATOM 155 C GLY A 22 19.253 -14.234 7.091 1.00 97.83 C +ATOM 156 O GLY A 22 18.804 -15.374 6.992 1.00 97.78 O +ATOM 157 N PRO A 23 20.562 -13.977 7.021 1.00 96.71 N +ATOM 158 CA PRO A 23 21.526 -15.043 6.791 1.00 96.45 C +ATOM 159 C PRO A 23 21.622 -15.974 7.988 1.00 96.62 C +ATOM 160 O PRO A 23 21.303 -15.605 9.110 1.00 95.99 O +ATOM 161 CB PRO A 23 22.830 -14.286 6.550 1.00 95.15 C +ATOM 162 CG PRO A 23 22.648 -13.016 7.305 1.00 93.34 C +ATOM 163 CD PRO A 23 21.200 -12.666 7.129 1.00 95.65 C +HETATM 164 N HYP A 24 22.088 -17.196 7.774 1.00 96.25 N +HETATM 165 CA HYP A 24 22.295 -18.158 8.823 1.00 95.49 C +HETATM 166 C HYP A 24 23.297 -17.686 9.866 1.00 96.27 C +HETATM 167 O HYP A 24 24.185 -16.911 9.540 1.00 95.90 O +HETATM 168 CB HYP A 24 22.913 -19.370 8.043 1.00 93.75 C +HETATM 169 CG HYP A 24 22.410 -19.239 6.628 1.00 91.93 C +HETATM 170 CD HYP A 24 22.358 -17.730 6.433 1.00 93.96 C +HETATM 171 OD1 HYP A 24 21.106 -19.768 6.478 1.00 91.62 O +ATOM 172 N GLY A 25 23.148 -18.116 11.094 1.00 95.30 N +ATOM 173 CA GLY A 25 24.057 -17.743 12.147 1.00 95.46 C +ATOM 174 C GLY A 25 25.452 -18.288 11.875 1.00 96.02 C +ATOM 175 O GLY A 25 25.645 -19.114 10.986 1.00 95.75 O +ATOM 176 N PRO A 26 26.447 -17.860 12.653 1.00 94.13 N +ATOM 177 CA PRO A 26 27.815 -18.311 12.451 1.00 94.06 C +ATOM 178 C PRO A 26 27.970 -19.781 12.795 1.00 94.00 C +ATOM 179 O PRO A 26 27.284 -20.301 13.677 1.00 91.71 O +ATOM 180 CB PRO A 26 28.631 -17.421 13.382 1.00 91.92 C +ATOM 181 CG PRO A 26 27.664 -17.047 14.448 1.00 89.89 C +ATOM 182 CD PRO A 26 26.342 -16.904 13.747 1.00 92.45 C +HETATM 183 N HYP A 27 28.911 -20.463 12.179 1.00 94.66 N +HETATM 184 CA HYP A 27 29.079 -21.891 12.436 1.00 90.92 C +HETATM 185 C HYP A 27 29.509 -22.134 13.876 1.00 87.79 C +HETATM 186 O HYP A 27 30.370 -21.392 14.373 1.00 90.82 O +HETATM 187 CB HYP A 27 30.219 -22.340 11.463 1.00 87.84 C +HETATM 188 CG HYP A 27 30.357 -21.248 10.427 1.00 84.64 C +HETATM 189 CD HYP A 27 29.789 -19.987 11.102 1.00 91.27 C +HETATM 190 OD1 HYP A 27 29.538 -21.568 9.321 1.00 85.82 O +HETATM 191 OXT HYP A 27 28.896 -23.077 14.463 1.00 89.23 O +TER 192 HYP A 27 +END diff --git a/protein_pdb_598.txt b/protein_pdb_598.txt new file mode 100644 index 0000000000000000000000000000000000000000..03427471c12d599bff99bb1675f19d04f64dde86 --- /dev/null +++ b/protein_pdb_598.txt @@ -0,0 +1,163 @@ +ATOM 1 N GLY A 1 14.994 1.867 2.880 1.00 92.13 N +ATOM 2 CA GLY A 1 14.136 2.647 2.054 1.00 92.33 C +ATOM 3 C GLY A 1 12.853 3.066 2.732 1.00 92.64 C +ATOM 4 O GLY A 1 12.530 2.597 3.816 1.00 91.03 O +ATOM 5 N PRO A 2 12.124 3.929 2.104 1.00 92.03 N +ATOM 6 CA PRO A 2 10.875 4.418 2.662 1.00 92.16 C +ATOM 7 C PRO A 2 9.778 3.377 2.552 1.00 91.91 C +ATOM 8 O PRO A 2 9.913 2.385 1.849 1.00 90.08 O +ATOM 9 CB PRO A 2 10.578 5.637 1.802 1.00 89.35 C +ATOM 10 CG PRO A 2 11.163 5.276 0.485 1.00 85.98 C +ATOM 11 CD PRO A 2 12.434 4.541 0.818 1.00 88.74 C +HETATM 12 N HYP A 3 8.708 3.645 3.268 1.00 91.76 N +HETATM 13 CA HYP A 3 7.562 2.742 3.173 1.00 89.35 C +HETATM 14 C HYP A 3 7.004 2.679 1.766 1.00 90.59 C +HETATM 15 O HYP A 3 7.069 3.686 1.014 1.00 92.85 O +HETATM 16 CB HYP A 3 6.517 3.465 4.101 1.00 89.24 C +HETATM 17 CG HYP A 3 7.364 4.247 5.093 1.00 87.59 C +HETATM 18 CD HYP A 3 8.551 4.719 4.204 1.00 91.16 C +HETATM 19 OD1 HYP A 3 7.838 3.369 6.060 1.00 89.38 O +ATOM 20 N GLY A 4 6.560 1.512 1.390 1.00 93.63 N +ATOM 21 CA GLY A 4 5.981 1.341 0.085 1.00 92.97 C +ATOM 22 C GLY A 4 4.648 2.070 -0.006 1.00 93.61 C +ATOM 23 O GLY A 4 4.104 2.530 0.993 1.00 93.97 O +ATOM 24 N PRO A 5 4.110 2.184 -1.218 1.00 93.10 N +ATOM 25 CA PRO A 5 2.835 2.860 -1.404 1.00 92.89 C +ATOM 26 C PRO A 5 1.693 2.032 -0.843 1.00 92.80 C +ATOM 27 O PRO A 5 1.839 0.844 -0.583 1.00 91.90 O +ATOM 28 CB PRO A 5 2.735 3.001 -2.917 1.00 91.39 C +ATOM 29 CG PRO A 5 3.495 1.825 -3.424 1.00 90.07 C +ATOM 30 CD PRO A 5 4.648 1.676 -2.473 1.00 92.08 C +HETATM 31 N HYP A 6 0.551 2.723 -0.627 1.00 93.45 N +HETATM 32 CA HYP A 6 -0.622 1.978 -0.215 1.00 93.88 C +HETATM 33 C HYP A 6 -0.973 0.903 -1.183 1.00 93.87 C +HETATM 34 O HYP A 6 -0.736 1.043 -2.417 1.00 92.28 O +HETATM 35 CB HYP A 6 -1.720 3.090 -0.222 1.00 90.64 C +HETATM 36 CG HYP A 6 -0.982 4.368 0.001 1.00 90.10 C +HETATM 37 CD HYP A 6 0.317 4.136 -0.760 1.00 91.58 C +HETATM 38 OD1 HYP A 6 -0.704 4.526 1.375 1.00 89.28 O +ATOM 39 N GLY A 7 -1.449 -0.203 -0.670 1.00 93.02 N +ATOM 40 CA GLY A 7 -1.860 -1.297 -1.509 1.00 91.76 C +ATOM 41 C GLY A 7 -3.011 -0.875 -2.396 1.00 92.01 C +ATOM 42 O GLY A 7 -3.647 0.155 -2.178 1.00 91.74 O +ATOM 43 N PRO A 8 -3.292 -1.665 -3.411 1.00 92.44 N +ATOM 44 CA PRO A 8 -4.386 -1.332 -4.309 1.00 91.75 C +ATOM 45 C PRO A 8 -5.724 -1.481 -3.612 1.00 91.72 C +ATOM 46 O PRO A 8 -5.852 -2.192 -2.620 1.00 90.33 O +ATOM 47 CB PRO A 8 -4.232 -2.337 -5.445 1.00 90.03 C +ATOM 48 CG PRO A 8 -3.593 -3.506 -4.789 1.00 89.45 C +ATOM 49 CD PRO A 8 -2.642 -2.915 -3.785 1.00 90.83 C +HETATM 50 N HYP A 9 -6.712 -0.786 -4.148 1.00 91.07 N +HETATM 51 CA HYP A 9 -8.026 -0.923 -3.617 1.00 89.88 C +HETATM 52 C HYP A 9 -8.524 -2.316 -3.785 1.00 93.07 C +HETATM 53 O HYP A 9 -8.267 -2.970 -4.813 1.00 90.71 O +HETATM 54 CB HYP A 9 -8.854 0.029 -4.581 1.00 87.51 C +HETATM 55 CG HYP A 9 -7.885 0.992 -5.141 1.00 88.28 C +HETATM 56 CD HYP A 9 -6.618 0.217 -5.247 1.00 91.13 C +HETATM 57 OD1 HYP A 9 -7.692 2.039 -4.211 1.00 87.51 O +ATOM 58 N GLY A 10 -9.214 -2.891 -2.824 1.00 92.54 N +ATOM 59 CA GLY A 10 -9.911 -4.132 -3.023 1.00 89.67 C +ATOM 60 C GLY A 10 -11.077 -3.878 -3.954 1.00 89.23 C +ATOM 61 O GLY A 10 -11.329 -2.743 -4.361 1.00 88.71 O +ATOM 62 N TYR A 11 -11.787 -4.922 -4.308 1.00 92.87 N +ATOM 63 CA TYR A 11 -12.934 -4.703 -5.180 1.00 92.76 C +ATOM 64 C TYR A 11 -13.950 -3.781 -4.525 1.00 92.34 C +ATOM 65 O TYR A 11 -14.634 -3.028 -5.209 1.00 91.60 O +ATOM 66 CB TYR A 11 -13.573 -6.042 -5.557 1.00 92.18 C +ATOM 67 CG TYR A 11 -12.736 -6.795 -6.551 1.00 87.94 C +ATOM 68 CD1 TYR A 11 -12.680 -6.395 -7.883 1.00 87.08 C +ATOM 69 CD2 TYR A 11 -11.977 -7.891 -6.160 1.00 85.81 C +ATOM 70 CE1 TYR A 11 -11.892 -7.073 -8.803 1.00 83.00 C +ATOM 71 CE2 TYR A 11 -11.187 -8.570 -7.076 1.00 83.14 C +ATOM 72 CZ TYR A 11 -11.149 -8.157 -8.389 1.00 83.58 C +ATOM 73 OH TYR A 11 -10.360 -8.823 -9.304 1.00 84.73 O +ATOM 74 N PHE A 12 -14.010 -3.816 -3.195 1.00 90.60 N +ATOM 75 CA PHE A 12 -14.881 -2.919 -2.449 1.00 91.82 C +ATOM 76 C PHE A 12 -14.207 -2.377 -1.198 1.00 92.78 C +ATOM 77 O PHE A 12 -14.666 -1.381 -0.637 1.00 90.38 O +ATOM 78 CB PHE A 12 -16.174 -3.647 -2.068 1.00 90.12 C +ATOM 79 CG PHE A 12 -16.948 -4.128 -3.268 1.00 85.84 C +ATOM 80 CD1 PHE A 12 -17.693 -3.238 -4.018 1.00 82.86 C +ATOM 81 CD2 PHE A 12 -16.898 -5.452 -3.662 1.00 80.41 C +ATOM 82 CE1 PHE A 12 -18.379 -3.654 -5.148 1.00 79.25 C +ATOM 83 CE2 PHE A 12 -17.581 -5.880 -4.796 1.00 80.08 C +ATOM 84 CZ PHE A 12 -18.326 -4.982 -5.538 1.00 79.53 C +ATOM 85 N GLY A 13 -13.154 -3.014 -0.756 1.00 93.65 N +ATOM 86 CA GLY A 13 -12.464 -2.606 0.442 1.00 93.10 C +ATOM 87 C GLY A 13 -11.547 -1.424 0.233 1.00 93.54 C +ATOM 88 O GLY A 13 -11.292 -1.003 -0.894 1.00 93.37 O +ATOM 89 N PRO A 14 -11.032 -0.866 1.327 1.00 95.21 N +ATOM 90 CA PRO A 14 -10.134 0.281 1.254 1.00 95.07 C +ATOM 91 C PRO A 14 -8.761 -0.127 0.754 1.00 95.11 C +ATOM 92 O PRO A 14 -8.435 -1.311 0.685 1.00 94.05 O +ATOM 93 CB PRO A 14 -10.074 0.772 2.695 1.00 93.87 C +ATOM 94 CG PRO A 14 -10.247 -0.471 3.490 1.00 92.56 C +ATOM 95 CD PRO A 14 -11.253 -1.287 2.711 1.00 94.05 C +HETATM 96 N HYP A 15 -7.961 0.901 0.427 1.00 94.98 N +HETATM 97 CA HYP A 15 -6.597 0.624 0.034 1.00 94.45 C +HETATM 98 C HYP A 15 -5.857 -0.097 1.110 1.00 95.56 C +HETATM 99 O HYP A 15 -6.161 0.093 2.318 1.00 94.07 O +HETATM 100 CB HYP A 15 -6.052 2.064 -0.166 1.00 92.37 C +HETATM 101 CG HYP A 15 -7.275 2.892 -0.510 1.00 90.90 C +HETATM 102 CD HYP A 15 -8.332 2.295 0.370 1.00 92.68 C +HETATM 103 OD1 HYP A 15 -7.602 2.737 -1.854 1.00 90.83 O +ATOM 104 N GLY A 16 -4.915 -0.922 0.719 1.00 95.33 N +ATOM 105 CA GLY A 16 -4.103 -1.614 1.679 1.00 94.79 C +ATOM 106 C GLY A 16 -3.191 -0.646 2.402 1.00 95.02 C +ATOM 107 O GLY A 16 -3.045 0.509 2.001 1.00 94.66 O +ATOM 108 N PRO A 17 -2.559 -1.103 3.480 1.00 94.51 N +ATOM 109 CA PRO A 17 -1.648 -0.248 4.224 1.00 94.15 C +ATOM 110 C PRO A 17 -0.375 -0.002 3.432 1.00 94.41 C +ATOM 111 O PRO A 17 -0.081 -0.703 2.468 1.00 93.39 O +ATOM 112 CB PRO A 17 -1.375 -1.046 5.490 1.00 92.78 C +ATOM 113 CG PRO A 17 -1.519 -2.459 5.045 1.00 91.29 C +ATOM 114 CD PRO A 17 -2.654 -2.436 4.056 1.00 93.10 C +HETATM 115 N HYP A 18 0.367 1.042 3.842 1.00 90.56 N +HETATM 116 CA HYP A 18 1.639 1.245 3.243 1.00 90.68 C +HETATM 117 C HYP A 18 2.519 0.038 3.331 1.00 91.07 C +HETATM 118 O HYP A 18 2.430 -0.715 4.326 1.00 91.00 O +HETATM 119 CB HYP A 18 2.221 2.404 4.043 1.00 87.53 C +HETATM 120 CG HYP A 18 1.016 3.160 4.549 1.00 87.31 C +HETATM 121 CD HYP A 18 0.040 2.037 4.834 1.00 91.39 C +HETATM 122 OD1 HYP A 18 0.495 3.996 3.536 1.00 86.56 O +ATOM 123 N GLY A 19 3.303 -0.195 2.325 1.00 91.03 N +ATOM 124 CA GLY A 19 4.216 -1.298 2.330 1.00 90.28 C +ATOM 125 C GLY A 19 5.282 -1.115 3.392 1.00 89.91 C +ATOM 126 O GLY A 19 5.442 -0.025 3.940 1.00 91.19 O +ATOM 127 N PRO A 20 6.016 -2.169 3.695 1.00 86.93 N +ATOM 128 CA PRO A 20 7.068 -2.071 4.690 1.00 86.28 C +ATOM 129 C PRO A 20 8.233 -1.244 4.169 1.00 85.64 C +ATOM 130 O PRO A 20 8.370 -1.030 2.970 1.00 86.59 O +ATOM 131 CB PRO A 20 7.468 -3.525 4.918 1.00 83.91 C +ATOM 132 CG PRO A 20 7.180 -4.171 3.611 1.00 80.78 C +ATOM 133 CD PRO A 20 5.926 -3.507 3.122 1.00 83.72 C +HETATM 134 N HYP A 21 9.051 -0.774 5.101 1.00 90.47 N +HETATM 135 CA HYP A 21 10.236 -0.072 4.694 1.00 88.09 C +HETATM 136 C HYP A 21 11.141 -0.893 3.793 1.00 90.19 C +HETATM 137 O HYP A 21 11.209 -2.116 3.953 1.00 90.82 O +HETATM 138 CB HYP A 21 10.948 0.219 6.026 1.00 86.00 C +HETATM 139 CG HYP A 21 9.871 0.225 7.069 1.00 84.54 C +HETATM 140 CD HYP A 21 8.909 -0.827 6.557 1.00 89.94 C +HETATM 141 OD1 HYP A 21 9.193 1.481 7.049 1.00 84.37 O +ATOM 142 N GLY A 22 11.741 -0.255 2.836 1.00 90.23 N +ATOM 143 CA GLY A 22 12.654 -0.927 1.966 1.00 87.49 C +ATOM 144 C GLY A 22 13.922 -1.307 2.728 1.00 86.30 C +ATOM 145 O GLY A 22 14.079 -0.950 3.895 1.00 86.92 O +ATOM 146 N PRO A 23 14.855 -2.006 2.097 1.00 90.82 N +ATOM 147 CA PRO A 23 16.093 -2.395 2.760 1.00 90.28 C +ATOM 148 C PRO A 23 17.017 -1.193 2.907 1.00 88.62 C +ATOM 149 O PRO A 23 17.771 -0.869 2.001 1.00 85.03 O +ATOM 150 CB PRO A 23 16.660 -3.459 1.823 1.00 87.12 C +ATOM 151 CG PRO A 23 16.153 -3.066 0.490 1.00 83.73 C +ATOM 152 CD PRO A 23 14.779 -2.493 0.734 1.00 88.38 C +HETATM 153 N HYP A 24 16.924 -0.447 3.894 1.00 93.48 N +HETATM 154 CA HYP A 24 17.264 0.988 4.064 1.00 88.80 C +HETATM 155 C HYP A 24 16.355 1.943 3.582 1.00 92.56 C +HETATM 156 O HYP A 24 16.876 2.876 2.766 1.00 92.54 O +HETATM 157 CB HYP A 24 17.501 1.124 5.598 1.00 87.09 C +HETATM 158 CG HYP A 24 17.719 -0.295 6.142 1.00 86.17 C +HETATM 159 CD HYP A 24 17.316 -1.224 5.005 1.00 90.73 C +HETATM 160 OD1 HYP A 24 19.069 -0.501 6.424 1.00 88.30 O +HETATM 161 OXT HYP A 24 15.409 2.553 4.467 1.00 87.37 O +TER 162 HYP A 24 +END diff --git a/protein_pdb_599.txt b/protein_pdb_599.txt new file mode 100644 index 0000000000000000000000000000000000000000..ad01bd543093e38afcecce11d0f4b7e8ccf0b733 --- /dev/null +++ b/protein_pdb_599.txt @@ -0,0 +1,164 @@ +ATOM 1 N GLY A 1 10.741 -2.023 -11.984 1.00 89.83 N +ATOM 2 CA GLY A 1 10.066 -0.834 -11.608 1.00 90.13 C +ATOM 3 C GLY A 1 10.161 -0.431 -10.145 1.00 90.52 C +ATOM 4 O GLY A 1 10.625 -1.194 -9.302 1.00 88.73 O +ATOM 5 N PRO A 2 9.715 0.724 -9.867 1.00 91.31 N +ATOM 6 CA PRO A 2 9.719 1.245 -8.520 1.00 91.66 C +ATOM 7 C PRO A 2 8.637 0.608 -7.666 1.00 91.42 C +ATOM 8 O PRO A 2 7.749 -0.078 -8.177 1.00 90.03 O +ATOM 9 CB PRO A 2 9.475 2.737 -8.729 1.00 88.88 C +ATOM 10 CG PRO A 2 8.603 2.755 -9.937 1.00 85.55 C +ATOM 11 CD PRO A 2 9.198 1.690 -10.828 1.00 88.03 C +HETATM 12 N HYP A 3 8.732 0.850 -6.383 1.00 89.55 N +HETATM 13 CA HYP A 3 7.685 0.327 -5.503 1.00 86.67 C +HETATM 14 C HYP A 3 6.345 0.891 -5.847 1.00 90.47 C +HETATM 15 O HYP A 3 6.246 2.013 -6.349 1.00 92.03 O +HETATM 16 CB HYP A 3 8.158 0.813 -4.118 1.00 87.81 C +HETATM 17 CG HYP A 3 9.655 0.867 -4.272 1.00 86.26 C +HETATM 18 CD HYP A 3 9.831 1.396 -5.705 1.00 89.09 C +HETATM 19 OD1 HYP A 3 10.148 -0.432 -4.183 1.00 88.63 O +ATOM 20 N GLY A 4 5.330 0.084 -5.644 1.00 91.20 N +ATOM 21 CA GLY A 4 3.994 0.500 -5.942 1.00 90.68 C +ATOM 22 C GLY A 4 3.558 1.581 -4.971 1.00 91.54 C +ATOM 23 O GLY A 4 4.238 1.865 -3.983 1.00 91.98 O +ATOM 24 N PRO A 5 2.408 2.203 -5.232 1.00 92.70 N +ATOM 25 CA PRO A 5 1.908 3.256 -4.353 1.00 92.68 C +ATOM 26 C PRO A 5 1.410 2.697 -3.032 1.00 92.72 C +ATOM 27 O PRO A 5 1.162 1.500 -2.909 1.00 92.04 O +ATOM 28 CB PRO A 5 0.787 3.889 -5.175 1.00 91.13 C +ATOM 29 CG PRO A 5 0.285 2.751 -5.986 1.00 89.10 C +ATOM 30 CD PRO A 5 1.537 2.001 -6.372 1.00 91.64 C +HETATM 31 N HYP A 6 1.275 3.580 -2.047 1.00 89.65 N +HETATM 32 CA HYP A 6 0.735 3.166 -0.784 1.00 92.66 C +HETATM 33 C HYP A 6 -0.652 2.619 -0.898 1.00 90.79 C +HETATM 34 O HYP A 6 -1.433 3.083 -1.763 1.00 92.83 O +HETATM 35 CB HYP A 6 0.740 4.465 0.030 1.00 88.38 C +HETATM 36 CG HYP A 6 1.855 5.250 -0.590 1.00 87.18 C +HETATM 37 CD HYP A 6 1.699 4.926 -2.048 1.00 90.22 C +HETATM 38 OD1 HYP A 6 3.077 4.744 -0.119 1.00 87.95 O +ATOM 39 N GLY A 7 -0.936 1.633 -0.107 1.00 92.72 N +ATOM 40 CA GLY A 7 -2.240 1.038 -0.129 1.00 91.99 C +ATOM 41 C GLY A 7 -3.263 2.015 0.406 1.00 92.63 C +ATOM 42 O GLY A 7 -2.921 3.070 0.932 1.00 92.35 O +ATOM 43 N PRO A 8 -4.536 1.680 0.290 1.00 94.04 N +ATOM 44 CA PRO A 8 -5.592 2.553 0.786 1.00 93.57 C +ATOM 45 C PRO A 8 -5.669 2.526 2.302 1.00 93.11 C +ATOM 46 O PRO A 8 -5.155 1.624 2.952 1.00 91.44 O +ATOM 47 CB PRO A 8 -6.848 1.982 0.139 1.00 92.16 C +ATOM 48 CG PRO A 8 -6.540 0.527 0.047 1.00 90.73 C +ATOM 49 CD PRO A 8 -5.079 0.492 -0.352 1.00 92.74 C +HETATM 50 N HYP A 9 -6.326 3.546 2.864 1.00 90.69 N +HETATM 51 CA HYP A 9 -6.544 3.569 4.275 1.00 89.39 C +HETATM 52 C HYP A 9 -7.456 2.456 4.705 1.00 90.18 C +HETATM 53 O HYP A 9 -8.283 1.974 3.934 1.00 91.04 O +HETATM 54 CB HYP A 9 -7.248 4.928 4.457 1.00 86.68 C +HETATM 55 CG HYP A 9 -6.783 5.742 3.325 1.00 86.55 C +HETATM 56 CD HYP A 9 -6.684 4.783 2.224 1.00 89.97 C +HETATM 57 OD1 HYP A 9 -5.513 6.271 3.591 1.00 86.82 O +ATOM 58 N GLY A 10 -7.376 2.019 5.913 1.00 92.44 N +ATOM 59 CA GLY A 10 -8.288 1.027 6.432 1.00 89.98 C +ATOM 60 C GLY A 10 -9.638 1.693 6.654 1.00 90.05 C +ATOM 61 O GLY A 10 -9.929 2.732 6.069 1.00 88.50 O +ATOM 62 N HIS A 11 -10.464 1.113 7.507 1.00 90.03 N +ATOM 63 CA HIS A 11 -11.754 1.735 7.830 1.00 91.39 C +ATOM 64 C HIS A 11 -11.493 3.198 8.148 1.00 91.75 C +ATOM 65 O HIS A 11 -12.220 4.095 7.720 1.00 89.67 O +ATOM 66 CB HIS A 11 -12.375 1.060 9.048 1.00 89.33 C +ATOM 67 CG HIS A 11 -12.582 -0.413 8.863 1.00 84.62 C +ATOM 68 ND1 HIS A 11 -13.804 -0.959 8.537 1.00 80.95 N +ATOM 69 CD2 HIS A 11 -11.721 -1.443 8.959 1.00 76.26 C +ATOM 70 CE1 HIS A 11 -13.668 -2.276 8.444 1.00 78.20 C +ATOM 71 NE2 HIS A 11 -12.421 -2.597 8.694 1.00 78.67 N +ATOM 72 N TRP A 12 -10.420 3.401 8.889 1.00 86.66 N +ATOM 73 CA TRP A 12 -9.850 4.694 9.211 1.00 87.24 C +ATOM 74 C TRP A 12 -8.461 4.314 9.669 1.00 86.62 C +ATOM 75 O TRP A 12 -8.278 3.268 10.290 1.00 81.82 O +ATOM 76 CB TRP A 12 -10.616 5.447 10.311 1.00 85.77 C +ATOM 77 CG TRP A 12 -10.866 4.666 11.563 1.00 79.91 C +ATOM 78 CD1 TRP A 12 -11.968 3.925 11.844 1.00 79.60 C +ATOM 79 CD2 TRP A 12 -10.009 4.562 12.705 1.00 77.32 C +ATOM 80 NE1 TRP A 12 -11.864 3.354 13.084 1.00 69.63 N +ATOM 81 CE2 TRP A 12 -10.668 3.721 13.637 1.00 73.16 C +ATOM 82 CE3 TRP A 12 -8.758 5.083 13.037 1.00 68.96 C +ATOM 83 CZ2 TRP A 12 -10.104 3.402 14.877 1.00 77.44 C +ATOM 84 CZ3 TRP A 12 -8.195 4.766 14.266 1.00 68.61 C +ATOM 85 CH2 TRP A 12 -8.864 3.939 15.165 1.00 66.20 C +ATOM 86 N GLY A 13 -7.478 5.117 9.312 1.00 94.34 N +ATOM 87 CA GLY A 13 -6.131 4.764 9.697 1.00 93.42 C +ATOM 88 C GLY A 13 -5.155 5.039 8.576 1.00 93.64 C +ATOM 89 O GLY A 13 -5.526 5.565 7.531 1.00 93.56 O +ATOM 90 N PRO A 14 -3.903 4.706 8.793 1.00 94.82 N +ATOM 91 CA PRO A 14 -2.854 4.993 7.825 1.00 94.45 C +ATOM 92 C PRO A 14 -2.997 4.205 6.537 1.00 94.44 C +ATOM 93 O PRO A 14 -3.642 3.163 6.487 1.00 93.71 O +ATOM 94 CB PRO A 14 -1.570 4.639 8.571 1.00 93.17 C +ATOM 95 CG PRO A 14 -2.005 3.545 9.478 1.00 91.61 C +ATOM 96 CD PRO A 14 -3.366 3.992 9.950 1.00 93.16 C +HETATM 97 N HYP A 15 -2.406 4.760 5.513 1.00 91.57 N +HETATM 98 CA HYP A 15 -2.321 4.028 4.268 1.00 93.57 C +HETATM 99 C HYP A 15 -1.565 2.760 4.393 1.00 94.69 C +HETATM 100 O HYP A 15 -0.739 2.621 5.313 1.00 93.32 O +HETATM 101 CB HYP A 15 -1.575 5.073 3.398 1.00 89.88 C +HETATM 102 CG HYP A 15 -1.984 6.413 4.008 1.00 86.91 C +HETATM 103 CD HYP A 15 -1.998 6.112 5.481 1.00 91.39 C +HETATM 104 OD1 HYP A 15 -3.257 6.759 3.565 1.00 88.89 O +ATOM 105 N GLY A 16 -1.841 1.830 3.536 1.00 94.52 N +ATOM 106 CA GLY A 16 -1.141 0.584 3.546 1.00 93.79 C +ATOM 107 C GLY A 16 0.297 0.787 3.113 1.00 94.14 C +ATOM 108 O GLY A 16 0.678 1.876 2.682 1.00 94.03 O +ATOM 109 N PRO A 17 1.100 -0.262 3.225 1.00 93.73 N +ATOM 110 CA PRO A 17 2.501 -0.153 2.832 1.00 93.79 C +ATOM 111 C PRO A 17 2.644 -0.055 1.325 1.00 94.22 C +ATOM 112 O PRO A 17 1.731 -0.396 0.572 1.00 93.38 O +ATOM 113 CB PRO A 17 3.121 -1.427 3.394 1.00 92.12 C +ATOM 114 CG PRO A 17 1.992 -2.392 3.351 1.00 90.35 C +ATOM 115 CD PRO A 17 0.790 -1.581 3.754 1.00 92.36 C +HETATM 116 N HYP A 18 3.805 0.432 0.874 1.00 90.57 N +HETATM 117 CA HYP A 18 4.061 0.472 -0.512 1.00 90.68 C +HETATM 118 C HYP A 18 4.025 -0.867 -1.157 1.00 91.05 C +HETATM 119 O HYP A 18 4.334 -1.893 -0.508 1.00 91.72 O +HETATM 120 CB HYP A 18 5.462 1.071 -0.583 1.00 87.91 C +HETATM 121 CG HYP A 18 5.569 1.899 0.676 1.00 88.15 C +HETATM 122 CD HYP A 18 4.818 1.048 1.673 1.00 91.02 C +HETATM 123 OD1 HYP A 18 4.913 3.133 0.496 1.00 87.95 O +ATOM 124 N GLY A 19 3.620 -0.911 -2.378 1.00 91.92 N +ATOM 125 CA GLY A 19 3.583 -2.141 -3.110 1.00 91.25 C +ATOM 126 C GLY A 19 4.993 -2.611 -3.397 1.00 91.20 C +ATOM 127 O GLY A 19 5.958 -1.883 -3.201 1.00 91.57 O +ATOM 128 N PRO A 20 5.120 -3.836 -3.870 1.00 88.84 N +ATOM 129 CA PRO A 20 6.440 -4.368 -4.178 1.00 88.57 C +ATOM 130 C PRO A 20 7.017 -3.727 -5.430 1.00 87.44 C +ATOM 131 O PRO A 20 6.301 -3.107 -6.214 1.00 87.85 O +ATOM 132 CB PRO A 20 6.171 -5.860 -4.364 1.00 86.29 C +ATOM 133 CG PRO A 20 4.777 -5.880 -4.897 1.00 83.27 C +ATOM 134 CD PRO A 20 4.073 -4.813 -4.108 1.00 86.83 C +HETATM 135 N HYP A 21 8.324 -3.871 -5.582 1.00 89.19 N +HETATM 136 CA HYP A 21 8.946 -3.395 -6.783 1.00 88.48 C +HETATM 137 C HYP A 21 8.363 -3.988 -8.036 1.00 87.59 C +HETATM 138 O HYP A 21 7.994 -5.156 -8.048 1.00 92.13 O +HETATM 139 CB HYP A 21 10.393 -3.825 -6.624 1.00 87.53 C +HETATM 140 CG HYP A 21 10.596 -3.896 -5.141 1.00 85.26 C +HETATM 141 CD HYP A 21 9.281 -4.399 -4.643 1.00 89.18 C +HETATM 142 OD1 HYP A 21 10.793 -2.578 -4.630 1.00 86.13 O +ATOM 143 N GLY A 22 8.204 -3.165 -9.049 1.00 89.44 N +ATOM 144 CA GLY A 22 7.665 -3.617 -10.293 1.00 87.36 C +ATOM 145 C GLY A 22 8.709 -4.444 -11.024 1.00 86.64 C +ATOM 146 O GLY A 22 9.871 -4.495 -10.619 1.00 87.05 O +ATOM 147 N PRO A 23 8.333 -5.090 -12.107 1.00 91.11 N +ATOM 148 CA PRO A 23 9.283 -5.879 -12.878 1.00 90.28 C +ATOM 149 C PRO A 23 10.221 -4.956 -13.632 1.00 88.70 C +ATOM 150 O PRO A 23 9.811 -4.247 -14.546 1.00 85.39 O +ATOM 151 CB PRO A 23 8.389 -6.691 -13.804 1.00 87.12 C +ATOM 152 CG PRO A 23 7.207 -5.808 -14.004 1.00 84.40 C +ATOM 153 CD PRO A 23 6.995 -5.153 -12.654 1.00 88.12 C +HETATM 154 N HYP A 24 11.400 -4.870 -13.208 1.00 92.58 N +HETATM 155 CA HYP A 24 12.352 -3.782 -13.626 1.00 87.21 C +HETATM 156 C HYP A 24 11.985 -2.472 -13.161 1.00 92.85 C +HETATM 157 O HYP A 24 12.846 -1.591 -12.712 1.00 89.68 O +HETATM 158 CB HYP A 24 13.631 -4.280 -13.612 1.00 86.16 C +HETATM 159 CG HYP A 24 13.392 -5.725 -14.003 1.00 86.48 C +HETATM 160 CD HYP A 24 12.031 -6.081 -13.358 1.00 90.74 C +HETATM 161 OD1 HYP A 24 14.404 -6.549 -13.554 1.00 87.59 O +HETATM 162 OXT HYP A 24 11.292 -1.758 -14.011 1.00 85.14 O +TER 163 HYP A 24 +END diff --git a/protein_pdb_6.txt b/protein_pdb_6.txt new file mode 100644 index 0000000000000000000000000000000000000000..9bf0e4310f4698e987d61b8fd4a8121b2c389341 --- /dev/null +++ b/protein_pdb_6.txt @@ -0,0 +1,139 @@ +ATOM 1 N GLY A 1 6.989 -30.376 -1.098 1.00 94.23 N +ATOM 2 CA GLY A 1 7.416 -29.416 -0.083 1.00 95.30 C +ATOM 3 C GLY A 1 6.316 -28.426 0.231 1.00 95.73 C +ATOM 4 O GLY A 1 5.294 -28.394 -0.445 1.00 94.41 O +ATOM 5 N PRO A 2 6.497 -27.585 1.250 1.00 96.71 N +ATOM 6 CA PRO A 2 5.483 -26.606 1.636 1.00 97.07 C +ATOM 7 C PRO A 2 5.353 -25.494 0.605 1.00 97.11 C +ATOM 8 O PRO A 2 6.282 -25.215 -0.139 1.00 96.09 O +ATOM 9 CB PRO A 2 5.990 -26.068 2.976 1.00 95.87 C +ATOM 10 CG PRO A 2 7.468 -26.221 2.867 1.00 93.13 C +ATOM 11 CD PRO A 2 7.670 -27.512 2.115 1.00 95.32 C +HETATM 12 N HYP A 3 4.249 -24.954 0.568 1.00 96.79 N +HETATM 13 CA HYP A 3 3.969 -23.712 -0.316 1.00 96.76 C +HETATM 14 C HYP A 3 4.908 -22.571 -0.011 1.00 96.35 C +HETATM 15 O HYP A 3 5.333 -22.396 1.155 1.00 96.64 O +HETATM 16 CB HYP A 3 2.540 -23.383 0.100 1.00 95.79 C +HETATM 17 CG HYP A 3 1.913 -24.659 0.686 1.00 93.73 C +HETATM 18 CD HYP A 3 3.107 -25.345 1.389 1.00 95.04 C +HETATM 19 OD1 HYP A 3 1.424 -25.500 -0.330 1.00 95.23 O +ATOM 20 N GLY A 4 5.222 -21.749 -1.017 1.00 96.84 N +ATOM 21 CA GLY A 4 6.058 -20.597 -0.822 1.00 96.29 C +ATOM 22 C GLY A 4 5.315 -19.508 -0.056 1.00 96.34 C +ATOM 23 O GLY A 4 4.093 -19.560 0.083 1.00 95.61 O +ATOM 24 N PRO A 5 6.042 -18.488 0.435 1.00 96.54 N +ATOM 25 CA PRO A 5 5.415 -17.397 1.183 1.00 96.37 C +ATOM 26 C PRO A 5 4.627 -16.470 0.267 1.00 95.94 C +ATOM 27 O PRO A 5 4.886 -16.398 -0.932 1.00 94.57 O +ATOM 28 CB PRO A 5 6.606 -16.673 1.826 1.00 95.13 C +ATOM 29 CG PRO A 5 7.702 -16.898 0.839 1.00 93.30 C +ATOM 30 CD PRO A 5 7.494 -18.312 0.332 1.00 95.58 C +HETATM 31 N HYP A 6 3.661 -15.767 0.820 1.00 95.45 N +HETATM 32 CA HYP A 6 2.926 -14.725 0.066 1.00 95.28 C +HETATM 33 C HYP A 6 3.826 -13.641 -0.434 1.00 94.98 C +HETATM 34 O HYP A 6 4.807 -13.279 0.260 1.00 94.71 O +HETATM 35 CB HYP A 6 1.907 -14.198 1.124 1.00 92.11 C +HETATM 36 CG HYP A 6 1.719 -15.330 2.138 1.00 91.74 C +HETATM 37 CD HYP A 6 3.095 -15.968 2.174 1.00 93.11 C +HETATM 38 OD1 HYP A 6 0.753 -16.245 1.672 1.00 92.97 O +ATOM 39 N GLY A 7 3.505 -13.046 -1.559 1.00 93.84 N +ATOM 40 CA GLY A 7 4.291 -11.970 -2.119 1.00 92.39 C +ATOM 41 C GLY A 7 4.225 -10.737 -1.233 1.00 92.71 C +ATOM 42 O GLY A 7 3.379 -10.637 -0.343 1.00 92.33 O +ATOM 43 N PRO A 8 5.104 -9.734 -1.487 1.00 95.79 N +ATOM 44 CA PRO A 8 5.103 -8.516 -0.680 1.00 95.44 C +ATOM 45 C PRO A 8 3.857 -7.672 -0.942 1.00 95.40 C +ATOM 46 O PRO A 8 3.246 -7.740 -2.010 1.00 93.18 O +ATOM 47 CB PRO A 8 6.381 -7.785 -1.123 1.00 93.55 C +ATOM 48 CG PRO A 8 6.564 -8.239 -2.526 1.00 92.17 C +ATOM 49 CD PRO A 8 6.139 -9.698 -2.523 1.00 94.85 C +ATOM 50 N LYS A 9 3.478 -6.866 0.054 1.00 93.36 N +ATOM 51 CA LYS A 9 2.321 -5.985 -0.077 1.00 93.21 C +ATOM 52 C LYS A 9 2.647 -4.878 -1.076 1.00 93.15 C +ATOM 53 O LYS A 9 3.764 -4.370 -1.104 1.00 90.95 O +ATOM 54 CB LYS A 9 1.946 -5.402 1.292 1.00 89.06 C +ATOM 55 CG LYS A 9 0.682 -4.556 1.273 1.00 83.93 C +ATOM 56 CD LYS A 9 0.317 -4.058 2.661 1.00 81.93 C +ATOM 57 CE LYS A 9 -0.952 -3.226 2.636 1.00 77.12 C +ATOM 58 NZ LYS A 9 -1.323 -2.748 3.988 1.00 73.51 N +ATOM 59 N GLY A 10 1.657 -4.517 -1.892 1.00 94.98 N +ATOM 60 CA GLY A 10 1.861 -3.471 -2.874 1.00 93.91 C +ATOM 61 C GLY A 10 2.057 -2.106 -2.236 1.00 94.39 C +ATOM 62 O GLY A 10 1.787 -1.910 -1.051 1.00 92.59 O +ATOM 63 N GLU A 11 2.521 -1.138 -3.034 1.00 96.54 N +ATOM 64 CA GLU A 11 2.746 0.222 -2.546 1.00 96.71 C +ATOM 65 C GLU A 11 1.427 0.880 -2.190 1.00 96.97 C +ATOM 66 O GLU A 11 0.403 0.609 -2.807 1.00 95.36 O +ATOM 67 CB GLU A 11 3.467 1.061 -3.595 1.00 94.94 C +ATOM 68 CG GLU A 11 4.874 0.579 -3.876 1.00 88.01 C +ATOM 69 CD GLU A 11 5.607 1.490 -4.849 1.00 85.50 C +ATOM 70 OE1 GLU A 11 5.089 2.568 -5.171 1.00 81.31 O +ATOM 71 OE2 GLU A 11 6.710 1.114 -5.284 1.00 81.05 O +HETATM 72 N HYP A 12 1.437 1.791 -1.171 1.00 96.22 N +HETATM 73 CA HYP A 12 0.232 2.558 -0.808 1.00 94.69 C +HETATM 74 C HYP A 12 -0.229 3.446 -1.948 1.00 96.32 C +HETATM 75 O HYP A 12 0.611 3.899 -2.762 1.00 94.21 O +HETATM 76 CB HYP A 12 0.760 3.403 0.387 1.00 92.75 C +HETATM 77 CG HYP A 12 1.948 2.671 0.915 1.00 90.61 C +HETATM 78 CD HYP A 12 2.548 2.059 -0.288 1.00 93.58 C +HETATM 79 OD1 HYP A 12 1.551 1.665 1.818 1.00 92.13 O +ATOM 80 N GLY A 13 -1.522 3.682 -2.051 1.00 97.01 N +ATOM 81 CA GLY A 13 -2.054 4.559 -3.069 1.00 96.75 C +ATOM 82 C GLY A 13 -1.716 6.013 -2.758 1.00 96.81 C +ATOM 83 O GLY A 13 -1.191 6.328 -1.686 1.00 96.36 O +ATOM 84 N PRO A 14 -2.029 6.944 -3.698 1.00 96.32 N +ATOM 85 CA PRO A 14 -1.744 8.358 -3.481 1.00 96.39 C +ATOM 86 C PRO A 14 -2.642 8.950 -2.401 1.00 96.44 C +ATOM 87 O PRO A 14 -3.734 8.454 -2.151 1.00 95.21 O +ATOM 88 CB PRO A 14 -2.014 8.987 -4.844 1.00 95.13 C +ATOM 89 CG PRO A 14 -3.036 8.081 -5.450 1.00 93.66 C +ATOM 90 CD PRO A 14 -2.640 6.704 -4.993 1.00 95.59 C +HETATM 91 N HYP A 15 -2.209 10.052 -1.762 1.00 93.29 N +HETATM 92 CA HYP A 15 -2.994 10.760 -0.786 1.00 93.79 C +HETATM 93 C HYP A 15 -4.286 11.357 -1.367 1.00 92.58 C +HETATM 94 O HYP A 15 -4.329 11.680 -2.574 1.00 95.04 O +HETATM 95 CB HYP A 15 -2.036 11.905 -0.348 1.00 92.84 C +HETATM 96 CG HYP A 15 -0.651 11.399 -0.634 1.00 91.96 C +HETATM 97 CD HYP A 15 -0.856 10.548 -1.875 1.00 93.78 C +HETATM 98 OD1 HYP A 15 -0.184 10.577 0.425 1.00 92.48 O +ATOM 99 N GLY A 16 -5.340 11.434 -0.592 1.00 95.21 N +ATOM 100 CA GLY A 16 -6.582 12.009 -1.037 1.00 95.28 C +ATOM 101 C GLY A 16 -6.436 13.511 -1.242 1.00 95.60 C +ATOM 102 O GLY A 16 -5.433 14.106 -0.846 1.00 95.01 O +ATOM 103 N PRO A 17 -7.447 14.155 -1.856 1.00 93.43 N +ATOM 104 CA PRO A 17 -7.396 15.596 -2.097 1.00 93.85 C +ATOM 105 C PRO A 17 -7.525 16.382 -0.799 1.00 93.92 C +ATOM 106 O PRO A 17 -8.046 15.890 0.190 1.00 92.72 O +ATOM 107 CB PRO A 17 -8.581 15.836 -3.029 1.00 91.67 C +ATOM 108 CG PRO A 17 -9.539 14.759 -2.651 1.00 88.17 C +ATOM 109 CD PRO A 17 -8.670 13.558 -2.356 1.00 90.91 C +HETATM 110 N HYP A 18 -7.066 17.638 -0.803 1.00 93.67 N +HETATM 111 CA HYP A 18 -7.229 18.544 0.355 1.00 92.76 C +HETATM 112 C HYP A 18 -8.702 18.854 0.700 1.00 95.16 C +HETATM 113 O HYP A 18 -9.551 18.827 -0.181 1.00 94.96 O +HETATM 114 CB HYP A 18 -6.551 19.867 -0.168 1.00 91.20 C +HETATM 115 CG HYP A 18 -5.560 19.427 -1.229 1.00 90.78 C +HETATM 116 CD HYP A 18 -6.249 18.212 -1.857 1.00 91.75 C +HETATM 117 OD1 HYP A 18 -4.346 18.996 -0.619 1.00 92.11 O +ATOM 118 N GLY A 19 -9.005 19.037 1.968 1.00 93.61 N +ATOM 119 CA GLY A 19 -10.338 19.363 2.406 1.00 93.18 C +ATOM 120 C GLY A 19 -10.706 20.781 1.991 1.00 93.31 C +ATOM 121 O GLY A 19 -9.860 21.533 1.502 1.00 91.79 O +ATOM 122 N PRO A 20 -11.969 21.197 2.193 1.00 95.30 N +ATOM 123 CA PRO A 20 -12.405 22.536 1.830 1.00 95.05 C +ATOM 124 C PRO A 20 -11.817 23.580 2.764 1.00 94.54 C +ATOM 125 O PRO A 20 -11.465 23.277 3.902 1.00 91.28 O +ATOM 126 CB PRO A 20 -13.926 22.461 1.945 1.00 92.73 C +ATOM 127 CG PRO A 20 -14.134 21.437 3.005 1.00 90.53 C +ATOM 128 CD PRO A 20 -13.050 20.404 2.765 1.00 93.35 C +HETATM 129 N HYP A 21 -11.728 24.900 2.331 1.00 94.98 N +HETATM 130 CA HYP A 21 -11.283 25.902 3.257 1.00 91.01 C +HETATM 131 C HYP A 21 -12.272 26.178 4.358 1.00 94.09 C +HETATM 132 O HYP A 21 -13.210 25.448 4.434 1.00 91.24 O +HETATM 133 CB HYP A 21 -11.229 27.274 2.392 1.00 92.08 C +HETATM 134 CG HYP A 21 -11.108 26.836 0.979 1.00 91.88 C +HETATM 135 CD HYP A 21 -11.817 25.451 0.962 1.00 93.69 C +HETATM 136 OD1 HYP A 21 -9.729 26.667 0.702 1.00 87.01 O +HETATM 137 OXT HYP A 21 -12.192 27.187 5.128 1.00 86.56 O +TER 138 HYP A 21 +END diff --git a/protein_pdb_60.txt b/protein_pdb_60.txt new file mode 100644 index 0000000000000000000000000000000000000000..29bd44d24451da0e2b74427c9e51a1ff1982a59a --- /dev/null +++ b/protein_pdb_60.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 12.451 3.775 -8.723 1.00 89.61 N +ATOM 2 CA GLY A 1 12.290 2.786 -7.713 1.00 91.24 C +ATOM 3 C GLY A 1 11.005 1.993 -7.834 1.00 91.93 C +ATOM 4 O GLY A 1 10.115 2.347 -8.605 1.00 90.17 O +ATOM 5 N PRO A 2 10.907 0.959 -7.081 1.00 89.21 N +ATOM 6 CA PRO A 2 9.726 0.115 -7.117 1.00 90.79 C +ATOM 7 C PRO A 2 8.550 0.760 -6.408 1.00 90.63 C +ATOM 8 O PRO A 2 8.694 1.760 -5.709 1.00 88.72 O +ATOM 9 CB PRO A 2 10.196 -1.142 -6.386 1.00 87.66 C +ATOM 10 CG PRO A 2 11.216 -0.636 -5.429 1.00 83.77 C +ATOM 11 CD PRO A 2 11.916 0.485 -6.146 1.00 85.87 C +HETATM 12 N HYP A 3 7.382 0.135 -6.613 1.00 91.27 N +HETATM 13 CA HYP A 3 6.219 0.618 -5.924 1.00 88.55 C +HETATM 14 C HYP A 3 6.402 0.563 -4.435 1.00 89.35 C +HETATM 15 O HYP A 3 7.123 -0.318 -3.920 1.00 91.76 O +HETATM 16 CB HYP A 3 5.117 -0.413 -6.336 1.00 86.97 C +HETATM 17 CG HYP A 3 5.579 -0.908 -7.698 1.00 84.09 C +HETATM 18 CD HYP A 3 7.110 -0.956 -7.527 1.00 87.77 C +HETATM 19 OD1 HYP A 3 5.241 0.021 -8.676 1.00 87.62 O +ATOM 20 N GLY A 4 5.815 1.536 -3.767 1.00 92.30 N +ATOM 21 CA GLY A 4 5.871 1.576 -2.335 1.00 92.15 C +ATOM 22 C GLY A 4 5.057 0.459 -1.706 1.00 92.94 C +ATOM 23 O GLY A 4 4.327 -0.267 -2.385 1.00 92.97 O +ATOM 24 N PRO A 5 5.168 0.310 -0.381 1.00 90.00 N +ATOM 25 CA PRO A 5 4.424 -0.728 0.315 1.00 91.18 C +ATOM 26 C PRO A 5 2.939 -0.397 0.379 1.00 90.91 C +ATOM 27 O PRO A 5 2.534 0.746 0.205 1.00 89.25 O +ATOM 28 CB PRO A 5 5.049 -0.726 1.703 1.00 89.16 C +ATOM 29 CG PRO A 5 5.531 0.669 1.880 1.00 86.63 C +ATOM 30 CD PRO A 5 5.975 1.117 0.524 1.00 89.41 C +HETATM 31 N HYP A 6 2.127 -1.434 0.610 1.00 92.19 N +HETATM 32 CA HYP A 6 0.729 -1.232 0.835 1.00 92.15 C +HETATM 33 C HYP A 6 0.455 -0.312 1.982 1.00 92.56 C +HETATM 34 O HYP A 6 1.238 -0.266 2.954 1.00 92.24 O +HETATM 35 CB HYP A 6 0.202 -2.650 1.158 1.00 90.64 C +HETATM 36 CG HYP A 6 1.151 -3.570 0.442 1.00 88.50 C +HETATM 37 CD HYP A 6 2.473 -2.845 0.608 1.00 90.66 C +HETATM 38 OD1 HYP A 6 0.804 -3.642 -0.919 1.00 88.74 O +ATOM 39 N GLY A 7 -0.566 0.469 1.861 1.00 91.51 N +ATOM 40 CA GLY A 7 -0.979 1.339 2.927 1.00 90.56 C +ATOM 41 C GLY A 7 -1.494 0.553 4.117 1.00 91.62 C +ATOM 42 O GLY A 7 -1.664 -0.659 4.058 1.00 91.31 O +ATOM 43 N PRO A 8 -1.748 1.242 5.221 1.00 90.82 N +ATOM 44 CA PRO A 8 -2.233 0.570 6.416 1.00 91.26 C +ATOM 45 C PRO A 8 -3.671 0.087 6.246 1.00 91.01 C +ATOM 46 O PRO A 8 -4.408 0.576 5.395 1.00 88.49 O +ATOM 47 CB PRO A 8 -2.123 1.632 7.499 1.00 89.01 C +ATOM 48 CG PRO A 8 -2.209 2.911 6.766 1.00 87.49 C +ATOM 49 CD PRO A 8 -1.579 2.677 5.421 1.00 89.92 C +HETATM 50 N HYP A 9 -4.060 -0.888 7.096 1.00 89.77 N +HETATM 51 CA HYP A 9 -5.400 -1.365 7.097 1.00 90.09 C +HETATM 52 C HYP A 9 -6.347 -0.314 7.516 1.00 91.45 C +HETATM 53 O HYP A 9 -6.028 0.570 8.321 1.00 88.45 O +HETATM 54 CB HYP A 9 -5.371 -2.481 8.172 1.00 89.19 C +HETATM 55 CG HYP A 9 -3.965 -2.919 8.256 1.00 86.00 C +HETATM 56 CD HYP A 9 -3.209 -1.665 8.013 1.00 88.95 C +HETATM 57 OD1 HYP A 9 -3.698 -3.829 7.213 1.00 88.55 O +ATOM 58 N GLY A 10 -7.535 -0.300 6.946 1.00 90.73 N +ATOM 59 CA GLY A 10 -8.600 0.556 7.400 1.00 88.93 C +ATOM 60 C GLY A 10 -9.227 -0.003 8.663 1.00 90.15 C +ATOM 61 O GLY A 10 -8.671 -0.875 9.332 1.00 88.93 O +ATOM 62 N ASP A 11 -10.406 0.485 8.995 1.00 92.04 N +ATOM 63 CA ASP A 11 -11.131 0.016 10.173 1.00 93.31 C +ATOM 64 C ASP A 11 -11.873 -1.262 9.805 1.00 93.43 C +ATOM 65 O ASP A 11 -12.949 -1.208 9.215 1.00 91.08 O +ATOM 66 CB ASP A 11 -12.089 1.092 10.655 1.00 91.15 C +ATOM 67 CG ASP A 11 -12.817 0.700 11.926 1.00 85.17 C +ATOM 68 OD1 ASP A 11 -12.624 -0.423 12.419 1.00 84.07 O +ATOM 69 OD2 ASP A 11 -13.603 1.530 12.437 1.00 82.48 O +HETATM 70 N HYP A 12 -11.394 -2.442 10.211 1.00 93.50 N +HETATM 71 CA HYP A 12 -11.651 -3.628 9.490 1.00 91.31 C +HETATM 72 C HYP A 12 -11.490 -3.608 8.082 1.00 93.88 C +HETATM 73 O HYP A 12 -12.195 -4.282 7.332 1.00 90.75 O +HETATM 74 CB HYP A 12 -11.449 -4.805 10.264 1.00 89.00 C +HETATM 75 CG HYP A 12 -11.584 -4.280 11.688 1.00 88.65 C +HETATM 76 CD HYP A 12 -11.360 -2.802 11.574 1.00 91.90 C +HETATM 77 OD1 HYP A 12 -10.638 -4.849 12.541 1.00 89.16 O +ATOM 78 N GLY A 13 -10.643 -2.799 7.510 1.00 93.11 N +ATOM 79 CA GLY A 13 -10.442 -2.662 6.086 1.00 92.59 C +ATOM 80 C GLY A 13 -9.141 -3.278 5.624 1.00 93.34 C +ATOM 81 O GLY A 13 -8.243 -3.547 6.420 1.00 92.88 O +ATOM 82 N PRO A 14 -9.039 -3.515 4.342 1.00 92.93 N +ATOM 83 CA PRO A 14 -7.840 -4.110 3.780 1.00 92.87 C +ATOM 84 C PRO A 14 -6.699 -3.115 3.705 1.00 93.11 C +ATOM 85 O PRO A 14 -6.890 -1.907 3.814 1.00 91.88 O +ATOM 86 CB PRO A 14 -8.282 -4.540 2.385 1.00 91.08 C +ATOM 87 CG PRO A 14 -9.322 -3.542 2.022 1.00 89.76 C +ATOM 88 CD PRO A 14 -10.043 -3.228 3.307 1.00 91.18 C +HETATM 89 N HYP A 15 -5.529 -3.683 3.493 1.00 93.77 N +HETATM 90 CA HYP A 15 -4.384 -2.827 3.247 1.00 93.26 C +HETATM 91 C HYP A 15 -4.607 -1.982 2.019 1.00 95.18 C +HETATM 92 O HYP A 15 -5.308 -2.394 1.077 1.00 93.85 O +HETATM 93 CB HYP A 15 -3.262 -3.863 2.954 1.00 91.61 C +HETATM 94 CG HYP A 15 -3.687 -5.116 3.692 1.00 89.44 C +HETATM 95 CD HYP A 15 -5.194 -5.108 3.531 1.00 91.61 C +HETATM 96 OD1 HYP A 15 -3.377 -5.018 5.060 1.00 89.73 O +ATOM 97 N GLY A 16 -4.087 -0.785 2.063 1.00 94.33 N +ATOM 98 CA GLY A 16 -4.172 0.089 0.926 1.00 94.45 C +ATOM 99 C GLY A 16 -3.333 -0.408 -0.230 1.00 95.14 C +ATOM 100 O GLY A 16 -2.557 -1.352 -0.095 1.00 94.95 O +ATOM 101 N PRO A 17 -3.504 0.224 -1.378 1.00 93.01 N +ATOM 102 CA PRO A 17 -2.736 -0.175 -2.546 1.00 93.45 C +ATOM 103 C PRO A 17 -1.272 0.198 -2.404 1.00 94.03 C +ATOM 104 O PRO A 17 -0.902 1.032 -1.584 1.00 92.60 O +ATOM 105 CB PRO A 17 -3.396 0.591 -3.682 1.00 91.98 C +ATOM 106 CG PRO A 17 -3.953 1.797 -3.024 1.00 90.67 C +ATOM 107 CD PRO A 17 -4.385 1.351 -1.655 1.00 92.28 C +HETATM 108 N HYP A 18 -0.439 -0.460 -3.218 1.00 92.79 N +HETATM 109 CA HYP A 18 0.926 -0.094 -3.259 1.00 94.06 C +HETATM 110 C HYP A 18 1.125 1.358 -3.605 1.00 94.87 C +HETATM 111 O HYP A 18 0.342 1.951 -4.369 1.00 93.47 O +HETATM 112 CB HYP A 18 1.492 -0.967 -4.395 1.00 92.18 C +HETATM 113 CG HYP A 18 0.583 -2.180 -4.420 1.00 89.94 C +HETATM 114 CD HYP A 18 -0.768 -1.568 -4.104 1.00 91.92 C +HETATM 115 OD1 HYP A 18 0.949 -3.090 -3.393 1.00 89.95 O +ATOM 116 N GLY A 19 2.097 1.954 -2.985 1.00 92.54 N +ATOM 117 CA GLY A 19 2.428 3.323 -3.268 1.00 92.57 C +ATOM 118 C GLY A 19 3.005 3.483 -4.659 1.00 93.34 C +ATOM 119 O GLY A 19 3.288 2.508 -5.354 1.00 93.54 O +ATOM 120 N PRO A 20 3.184 4.717 -5.071 1.00 86.70 N +ATOM 121 CA PRO A 20 3.734 4.966 -6.395 1.00 87.57 C +ATOM 122 C PRO A 20 5.205 4.601 -6.474 1.00 87.84 C +ATOM 123 O PRO A 20 5.884 4.460 -5.458 1.00 86.99 O +ATOM 124 CB PRO A 20 3.525 6.467 -6.582 1.00 85.36 C +ATOM 125 CG PRO A 20 3.522 7.005 -5.205 1.00 82.63 C +ATOM 126 CD PRO A 20 2.898 5.947 -4.341 1.00 84.64 C +HETATM 127 N HYP A 21 5.680 4.452 -7.711 1.00 90.06 N +HETATM 128 CA HYP A 21 7.051 4.189 -7.912 1.00 90.09 C +HETATM 129 C HYP A 21 7.934 5.266 -7.342 1.00 88.95 C +HETATM 130 O HYP A 21 7.547 6.449 -7.337 1.00 91.03 O +HETATM 131 CB HYP A 21 7.225 4.088 -9.407 1.00 87.35 C +HETATM 132 CG HYP A 21 5.871 3.696 -9.924 1.00 84.08 C +HETATM 133 CD HYP A 21 4.945 4.420 -8.980 1.00 88.99 C +HETATM 134 OD1 HYP A 21 5.687 2.288 -9.778 1.00 87.44 O +ATOM 135 N GLY A 22 9.015 4.854 -6.767 1.00 89.24 N +ATOM 136 CA GLY A 22 9.989 5.788 -6.271 1.00 87.55 C +ATOM 137 C GLY A 22 10.719 6.473 -7.415 1.00 87.44 C +ATOM 138 O GLY A 22 10.469 6.200 -8.590 1.00 87.02 O +ATOM 139 N PRO A 23 11.652 7.366 -7.085 1.00 87.70 N +ATOM 140 CA PRO A 23 12.398 8.076 -8.120 1.00 89.85 C +ATOM 141 C PRO A 23 13.393 7.139 -8.790 1.00 89.00 C +ATOM 142 O PRO A 23 14.357 6.704 -8.161 1.00 85.54 O +ATOM 143 CB PRO A 23 13.093 9.188 -7.340 1.00 86.91 C +ATOM 144 CG PRO A 23 13.246 8.644 -5.969 1.00 83.03 C +ATOM 145 CD PRO A 23 12.058 7.747 -5.736 1.00 86.38 C +HETATM 146 N HYP A 24 13.176 6.656 -9.921 1.00 93.47 N +HETATM 147 CA HYP A 24 13.718 5.411 -10.510 1.00 88.33 C +HETATM 148 C HYP A 24 13.628 4.200 -9.913 1.00 93.65 C +HETATM 149 O HYP A 24 14.674 3.643 -9.351 1.00 92.29 O +HETATM 150 CB HYP A 24 14.013 5.668 -11.932 1.00 87.75 C +HETATM 151 CG HYP A 24 14.207 7.196 -11.962 1.00 87.87 C +HETATM 152 CD HYP A 24 13.466 7.730 -10.694 1.00 91.58 C +HETATM 153 OD1 HYP A 24 13.659 7.756 -13.142 1.00 88.86 O +HETATM 154 OXT HYP A 24 12.956 3.183 -10.592 1.00 87.53 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_600.txt b/protein_pdb_600.txt new file mode 100644 index 0000000000000000000000000000000000000000..bffffa913fef8fed34a0059acc12f1c57ea5e648 --- /dev/null +++ b/protein_pdb_600.txt @@ -0,0 +1,161 @@ +ATOM 1 N GLY A 1 14.853 -1.173 -5.339 1.00 85.23 N +ATOM 2 CA GLY A 1 14.391 0.143 -4.935 1.00 87.44 C +ATOM 3 C GLY A 1 13.570 0.070 -3.675 1.00 89.14 C +ATOM 4 O GLY A 1 13.323 -1.021 -3.154 1.00 87.04 O +ATOM 5 N PRO A 2 13.125 1.198 -3.177 1.00 86.03 N +ATOM 6 CA PRO A 2 12.334 1.219 -1.952 1.00 88.18 C +ATOM 7 C PRO A 2 10.944 0.661 -2.167 1.00 88.43 C +ATOM 8 O PRO A 2 10.467 0.551 -3.289 1.00 87.66 O +ATOM 9 CB PRO A 2 12.279 2.706 -1.600 1.00 85.20 C +ATOM 10 CG PRO A 2 12.397 3.390 -2.911 1.00 80.69 C +ATOM 11 CD PRO A 2 13.316 2.530 -3.735 1.00 82.59 C +HETATM 12 N HYP A 3 10.345 0.283 -1.086 1.00 87.56 N +HETATM 13 CA HYP A 3 8.924 -0.118 -1.158 1.00 90.69 C +HETATM 14 C HYP A 3 8.082 0.938 -1.774 1.00 89.98 C +HETATM 15 O HYP A 3 8.365 2.144 -1.627 1.00 92.72 O +HETATM 16 CB HYP A 3 8.591 -0.368 0.329 1.00 88.35 C +HETATM 17 CG HYP A 3 9.906 -0.766 0.937 1.00 86.96 C +HETATM 18 CD HYP A 3 10.883 0.168 0.238 1.00 85.97 C +HETATM 19 OD1 HYP A 3 10.177 -2.094 0.587 1.00 89.59 O +ATOM 20 N GLY A 4 7.100 0.501 -2.517 1.00 93.12 N +ATOM 21 CA GLY A 4 6.162 1.423 -3.092 1.00 92.88 C +ATOM 22 C GLY A 4 5.336 2.103 -2.020 1.00 93.42 C +ATOM 23 O GLY A 4 5.347 1.702 -0.855 1.00 93.93 O +ATOM 24 N PRO A 5 4.621 3.139 -2.405 1.00 91.91 N +ATOM 25 CA PRO A 5 3.797 3.858 -1.440 1.00 91.46 C +ATOM 26 C PRO A 5 2.596 3.036 -1.008 1.00 91.61 C +ATOM 27 O PRO A 5 2.207 2.089 -1.673 1.00 91.38 O +ATOM 28 CB PRO A 5 3.372 5.102 -2.202 1.00 89.74 C +ATOM 29 CG PRO A 5 3.379 4.677 -3.624 1.00 86.95 C +ATOM 30 CD PRO A 5 4.504 3.696 -3.750 1.00 90.30 C +HETATM 31 N HYP A 6 2.036 3.417 0.120 1.00 91.46 N +HETATM 32 CA HYP A 6 0.805 2.782 0.579 1.00 95.79 C +HETATM 33 C HYP A 6 -0.301 2.925 -0.399 1.00 92.77 C +HETATM 34 O HYP A 6 -0.414 3.959 -1.114 1.00 93.51 O +HETATM 35 CB HYP A 6 0.500 3.555 1.863 1.00 89.84 C +HETATM 36 CG HYP A 6 1.837 4.038 2.334 1.00 89.78 C +HETATM 37 CD HYP A 6 2.511 4.388 1.043 1.00 90.71 C +HETATM 38 OD1 HYP A 6 2.523 2.976 2.972 1.00 91.32 O +ATOM 39 N GLY A 7 -1.073 1.886 -0.509 1.00 94.02 N +ATOM 40 CA GLY A 7 -2.233 1.942 -1.354 1.00 93.39 C +ATOM 41 C GLY A 7 -3.245 2.942 -0.830 1.00 93.44 C +ATOM 42 O GLY A 7 -3.140 3.422 0.298 1.00 93.24 O +ATOM 43 N PRO A 8 -4.213 3.258 -1.655 1.00 94.20 N +ATOM 44 CA PRO A 8 -5.230 4.203 -1.225 1.00 93.99 C +ATOM 45 C PRO A 8 -6.144 3.595 -0.178 1.00 93.71 C +ATOM 46 O PRO A 8 -6.260 2.379 -0.057 1.00 92.77 O +ATOM 47 CB PRO A 8 -5.993 4.509 -2.511 1.00 92.29 C +ATOM 48 CG PRO A 8 -5.816 3.288 -3.331 1.00 91.03 C +ATOM 49 CD PRO A 8 -4.445 2.767 -3.011 1.00 93.49 C +HETATM 50 N HYP A 9 -6.798 4.462 0.585 1.00 90.95 N +HETATM 51 CA HYP A 9 -7.726 3.998 1.543 1.00 94.95 C +HETATM 52 C HYP A 9 -8.912 3.340 0.880 1.00 92.05 C +HETATM 53 O HYP A 9 -9.324 3.739 -0.214 1.00 91.71 O +HETATM 54 CB HYP A 9 -8.241 5.336 2.180 1.00 88.46 C +HETATM 55 CG HYP A 9 -7.143 6.278 1.971 1.00 86.96 C +HETATM 56 CD HYP A 9 -6.597 5.888 0.670 1.00 89.91 C +HETATM 57 OD1 HYP A 9 -6.157 6.063 2.975 1.00 89.79 O +ATOM 58 N GLY A 10 -9.426 2.312 1.462 1.00 92.40 N +ATOM 59 CA GLY A 10 -10.709 1.795 1.058 1.00 90.17 C +ATOM 60 C GLY A 10 -11.803 2.759 1.473 1.00 91.07 C +ATOM 61 O GLY A 10 -11.560 3.733 2.190 1.00 89.42 O +ATOM 62 N THR A 11 -13.002 2.483 1.049 1.00 93.00 N +ATOM 63 CA THR A 11 -14.117 3.366 1.388 1.00 92.85 C +ATOM 64 C THR A 11 -14.190 3.620 2.888 1.00 92.75 C +ATOM 65 O THR A 11 -14.374 4.753 3.331 1.00 91.20 O +ATOM 66 CB THR A 11 -15.429 2.765 0.894 1.00 90.91 C +ATOM 67 OG1 THR A 11 -15.306 2.460 -0.492 1.00 87.68 O +ATOM 68 CG2 THR A 11 -16.581 3.726 1.096 1.00 85.66 C +ATOM 69 N TRP A 12 -14.018 2.549 3.643 1.00 91.56 N +ATOM 70 CA TRP A 12 -14.011 2.615 5.100 1.00 92.10 C +ATOM 71 C TRP A 12 -12.778 1.952 5.688 1.00 91.82 C +ATOM 72 O TRP A 12 -12.791 1.543 6.844 1.00 89.58 O +ATOM 73 CB TRP A 12 -15.284 1.958 5.648 1.00 91.53 C +ATOM 74 CG TRP A 12 -16.544 2.656 5.235 1.00 85.93 C +ATOM 75 CD1 TRP A 12 -17.373 2.311 4.221 1.00 85.25 C +ATOM 76 CD2 TRP A 12 -17.096 3.841 5.832 1.00 86.61 C +ATOM 77 NE1 TRP A 12 -18.423 3.195 4.130 1.00 78.77 N +ATOM 78 CE2 TRP A 12 -18.273 4.143 5.116 1.00 84.07 C +ATOM 79 CE3 TRP A 12 -16.706 4.646 6.894 1.00 80.49 C +ATOM 80 CZ2 TRP A 12 -19.068 5.246 5.439 1.00 86.29 C +ATOM 81 CZ3 TRP A 12 -17.495 5.726 7.213 1.00 78.16 C +ATOM 82 CH2 TRP A 12 -18.653 6.020 6.492 1.00 76.51 C +ATOM 83 N GLY A 13 -11.743 1.814 4.892 1.00 94.44 N +ATOM 84 CA GLY A 13 -10.603 1.017 5.271 1.00 93.73 C +ATOM 85 C GLY A 13 -9.301 1.776 5.325 1.00 94.30 C +ATOM 86 O GLY A 13 -9.197 2.908 4.861 1.00 94.23 O +ATOM 87 N PRO A 14 -8.296 1.143 5.908 1.00 94.20 N +ATOM 88 CA PRO A 14 -6.977 1.744 6.013 1.00 93.87 C +ATOM 89 C PRO A 14 -6.264 1.744 4.677 1.00 93.62 C +ATOM 90 O PRO A 14 -6.694 1.104 3.722 1.00 92.74 O +ATOM 91 CB PRO A 14 -6.264 0.835 7.011 1.00 92.64 C +ATOM 92 CG PRO A 14 -6.878 -0.499 6.769 1.00 91.90 C +ATOM 93 CD PRO A 14 -8.319 -0.217 6.451 1.00 93.02 C +HETATM 94 N HYP A 15 -5.169 2.457 4.668 1.00 92.95 N +HETATM 95 CA HYP A 15 -4.319 2.409 3.498 1.00 94.98 C +HETATM 96 C HYP A 15 -3.866 1.028 3.161 1.00 95.39 C +HETATM 97 O HYP A 15 -3.696 0.198 4.092 1.00 93.40 O +HETATM 98 CB HYP A 15 -3.139 3.293 3.969 1.00 88.37 C +HETATM 99 CG HYP A 15 -3.758 4.207 5.003 1.00 88.12 C +HETATM 100 CD HYP A 15 -4.716 3.318 5.709 1.00 91.52 C +HETATM 101 OD1 HYP A 15 -4.449 5.254 4.366 1.00 90.57 O +ATOM 102 N GLY A 16 -3.695 0.758 1.919 1.00 92.84 N +ATOM 103 CA GLY A 16 -3.165 -0.508 1.523 1.00 92.77 C +ATOM 104 C GLY A 16 -1.728 -0.666 1.970 1.00 93.84 C +ATOM 105 O GLY A 16 -1.094 0.283 2.427 1.00 93.83 O +ATOM 106 N PRO A 17 -1.214 -1.884 1.842 1.00 92.23 N +ATOM 107 CA PRO A 17 0.163 -2.126 2.245 1.00 92.17 C +ATOM 108 C PRO A 17 1.143 -1.474 1.294 1.00 93.21 C +ATOM 109 O PRO A 17 0.803 -1.138 0.166 1.00 92.65 O +ATOM 110 CB PRO A 17 0.273 -3.650 2.208 1.00 90.32 C +ATOM 111 CG PRO A 17 -0.729 -4.058 1.197 1.00 89.32 C +ATOM 112 CD PRO A 17 -1.858 -3.079 1.312 1.00 90.73 C +HETATM 113 N HYP A 18 2.360 -1.293 1.767 1.00 89.78 N +HETATM 114 CA HYP A 18 3.393 -0.811 0.919 1.00 93.67 C +HETATM 115 C HYP A 18 3.605 -1.674 -0.276 1.00 92.57 C +HETATM 116 O HYP A 18 3.446 -2.914 -0.201 1.00 92.83 O +HETATM 117 CB HYP A 18 4.613 -0.853 1.824 1.00 89.03 C +HETATM 118 CG HYP A 18 4.042 -0.736 3.212 1.00 88.11 C +HETATM 119 CD HYP A 18 2.783 -1.550 3.098 1.00 90.69 C +HETATM 120 OD1 HYP A 18 3.703 0.618 3.483 1.00 89.25 O +ATOM 121 N GLY A 19 3.913 -1.079 -1.391 1.00 92.23 N +ATOM 122 CA GLY A 19 4.222 -1.820 -2.579 1.00 92.28 C +ATOM 123 C GLY A 19 5.536 -2.557 -2.442 1.00 92.44 C +ATOM 124 O GLY A 19 6.303 -2.333 -1.510 1.00 92.95 O +ATOM 125 N PRO A 20 5.798 -3.447 -3.372 1.00 85.91 N +ATOM 126 CA PRO A 20 7.037 -4.197 -3.329 1.00 85.47 C +ATOM 127 C PRO A 20 8.228 -3.323 -3.671 1.00 84.91 C +ATOM 128 O PRO A 20 8.082 -2.235 -4.213 1.00 86.02 O +ATOM 129 CB PRO A 20 6.817 -5.285 -4.377 1.00 83.27 C +ATOM 130 CG PRO A 20 5.876 -4.655 -5.345 1.00 80.03 C +ATOM 131 CD PRO A 20 4.974 -3.771 -4.525 1.00 82.59 C +HETATM 132 N HYP A 21 9.420 -3.804 -3.323 1.00 87.05 N +HETATM 133 CA HYP A 21 10.605 -3.123 -3.712 1.00 90.37 C +HETATM 134 C HYP A 21 10.714 -2.861 -5.186 1.00 88.38 C +HETATM 135 O HYP A 21 10.262 -3.706 -5.972 1.00 92.28 O +HETATM 136 CB HYP A 21 11.720 -4.017 -3.228 1.00 85.59 C +HETATM 137 CG HYP A 21 11.107 -4.751 -2.066 1.00 83.31 C +HETATM 138 CD HYP A 21 9.706 -4.969 -2.526 1.00 88.83 C +HETATM 139 OD1 HYP A 21 11.064 -3.891 -0.923 1.00 88.45 O +ATOM 140 N GLY A 22 11.171 -1.706 -5.575 1.00 88.12 N +ATOM 141 CA GLY A 22 11.343 -1.375 -6.955 1.00 86.36 C +ATOM 142 C GLY A 22 12.419 -2.230 -7.608 1.00 86.33 C +ATOM 143 O GLY A 22 13.108 -3.002 -6.941 1.00 87.05 O +ATOM 144 N PRO A 23 12.581 -2.075 -8.903 1.00 85.32 N +ATOM 145 CA PRO A 23 13.586 -2.859 -9.617 1.00 84.56 C +ATOM 146 C PRO A 23 14.985 -2.426 -9.224 1.00 83.10 C +ATOM 147 O PRO A 23 15.201 -1.325 -8.732 1.00 80.86 O +ATOM 148 CB PRO A 23 13.289 -2.568 -11.079 1.00 81.06 C +ATOM 149 CG PRO A 23 12.657 -1.233 -11.066 1.00 77.84 C +ATOM 150 CD PRO A 23 11.871 -1.165 -9.785 1.00 80.82 C +HETATM 151 N HYP A 24 15.921 -3.230 -9.428 1.00 87.47 N +HETATM 152 CA HYP A 24 17.283 -2.877 -9.148 1.00 85.60 C +HETATM 153 C HYP A 24 17.622 -1.531 -9.623 1.00 85.57 C +HETATM 154 O HYP A 24 17.938 -1.332 -10.799 1.00 82.66 O +HETATM 155 CB HYP A 24 18.093 -3.973 -9.799 1.00 84.67 C +HETATM 156 CG HYP A 24 17.168 -5.104 -9.939 1.00 84.92 C +HETATM 157 CD HYP A 24 15.827 -4.464 -10.112 1.00 86.78 C +HETATM 158 OD1 HYP A 24 17.140 -5.862 -8.738 1.00 83.97 O +HETATM 159 OXT HYP A 24 17.515 -0.645 -8.753 1.00 78.94 O +TER 160 HYP A 24 +END diff --git a/protein_pdb_601.txt b/protein_pdb_601.txt new file mode 100644 index 0000000000000000000000000000000000000000..597c262a9c9c4d7e2fffd07811e4a63e7134b2fc --- /dev/null +++ b/protein_pdb_601.txt @@ -0,0 +1,204 @@ +ATOM 1 N GLY A 1 7.845 44.259 23.350 1.00 84.63 N +ATOM 2 CA GLY A 1 7.829 42.901 23.883 1.00 86.04 C +ATOM 3 C GLY A 1 8.788 41.991 23.142 1.00 86.64 C +ATOM 4 O GLY A 1 9.356 42.389 22.126 1.00 82.51 O +ATOM 5 N PRO A 2 8.983 40.752 23.590 1.00 91.10 N +ATOM 6 CA PRO A 2 9.892 39.808 22.940 1.00 91.95 C +ATOM 7 C PRO A 2 9.337 39.327 21.602 1.00 91.41 C +ATOM 8 O PRO A 2 8.140 39.430 21.342 1.00 89.34 O +ATOM 9 CB PRO A 2 10.004 38.661 23.937 1.00 88.10 C +ATOM 10 CG PRO A 2 8.704 38.696 24.661 1.00 85.00 C +ATOM 11 CD PRO A 2 8.368 40.164 24.776 1.00 87.12 C +HETATM 12 N HYP A 3 10.167 38.870 20.766 1.00 90.87 N +HETATM 13 CA HYP A 3 9.810 38.249 19.466 1.00 89.45 C +HETATM 14 C HYP A 3 8.798 37.094 19.622 1.00 90.78 C +HETATM 15 O HYP A 3 8.789 36.407 20.645 1.00 89.80 O +HETATM 16 CB HYP A 3 11.150 37.717 18.915 1.00 88.03 C +HETATM 17 CG HYP A 3 12.202 38.564 19.610 1.00 84.59 C +HETATM 18 CD HYP A 3 11.589 38.808 21.022 1.00 90.72 C +HETATM 19 OD1 HYP A 3 12.349 39.799 18.967 1.00 87.50 O +ATOM 20 N GLY A 4 7.933 36.939 18.618 1.00 93.06 N +ATOM 21 CA GLY A 4 6.954 35.881 18.656 1.00 92.51 C +ATOM 22 C GLY A 4 7.597 34.513 18.525 1.00 92.94 C +ATOM 23 O GLY A 4 8.718 34.377 18.021 1.00 91.18 O +ATOM 24 N ALA A 5 6.881 33.474 18.964 1.00 94.84 N +ATOM 25 CA ALA A 5 7.359 32.098 18.897 1.00 94.67 C +ATOM 26 C ALA A 5 7.339 31.599 17.459 1.00 94.78 C +ATOM 27 O ALA A 5 6.560 32.070 16.641 1.00 93.40 O +ATOM 28 CB ALA A 5 6.503 31.204 19.776 1.00 91.25 C +HETATM 29 N HYP A 6 8.205 30.662 17.143 1.00 95.38 N +HETATM 30 CA HYP A 6 8.165 29.980 15.841 1.00 94.26 C +HETATM 31 C HYP A 6 6.837 29.277 15.566 1.00 96.28 C +HETATM 32 O HYP A 6 6.151 28.857 16.486 1.00 93.78 O +HETATM 33 CB HYP A 6 9.347 28.958 15.927 1.00 91.77 C +HETATM 34 CG HYP A 6 10.278 29.569 16.903 1.00 89.22 C +HETATM 35 CD HYP A 6 9.331 30.212 17.901 1.00 94.19 C +HETATM 36 OD1 HYP A 6 11.089 30.536 16.332 1.00 88.94 O +ATOM 37 N GLY A 7 6.460 29.201 14.286 1.00 95.39 N +ATOM 38 CA GLY A 7 5.219 28.576 13.902 1.00 95.03 C +ATOM 39 C GLY A 7 5.215 27.086 14.203 1.00 95.51 C +ATOM 40 O GLY A 7 6.267 26.463 14.390 1.00 94.91 O +ATOM 41 N ALA A 8 4.020 26.512 14.231 1.00 96.00 N +ATOM 42 CA ALA A 8 3.854 25.091 14.497 1.00 96.27 C +ATOM 43 C ALA A 8 4.352 24.258 13.319 1.00 96.65 C +ATOM 44 O ALA A 8 4.358 24.720 12.180 1.00 95.91 O +ATOM 45 CB ALA A 8 2.394 24.779 14.773 1.00 94.06 C +HETATM 46 N HYP A 9 4.765 23.014 13.570 1.00 96.08 N +HETATM 47 CA HYP A 9 5.137 22.098 12.505 1.00 95.58 C +HETATM 48 C HYP A 9 3.985 21.765 11.584 1.00 96.49 C +HETATM 49 O HYP A 9 2.832 21.781 11.965 1.00 95.40 O +HETATM 50 CB HYP A 9 5.536 20.784 13.307 1.00 93.02 C +HETATM 51 CG HYP A 9 5.956 21.263 14.624 1.00 89.49 C +HETATM 52 CD HYP A 9 5.007 22.410 14.850 1.00 94.61 C +HETATM 53 OD1 HYP A 9 7.275 21.736 14.632 1.00 90.19 O +ATOM 54 N GLY A 10 4.316 21.546 10.271 1.00 95.87 N +ATOM 55 CA GLY A 10 3.313 21.223 9.291 1.00 95.44 C +ATOM 56 C GLY A 10 2.645 19.888 9.574 1.00 96.00 C +ATOM 57 O GLY A 10 3.165 19.060 10.326 1.00 95.75 O +ATOM 58 N ALA A 11 1.496 19.683 8.947 1.00 96.21 N +ATOM 59 CA ALA A 11 0.749 18.441 9.106 1.00 96.15 C +ATOM 60 C ALA A 11 1.481 17.289 8.431 1.00 96.46 C +ATOM 61 O ALA A 11 2.203 17.489 7.458 1.00 95.94 O +ATOM 62 CB ALA A 11 -0.643 18.589 8.520 1.00 94.12 C +HETATM 63 N HYP A 12 1.292 16.061 8.913 1.00 96.06 N +HETATM 64 CA HYP A 12 1.841 14.885 8.279 1.00 95.26 C +HETATM 65 C HYP A 12 1.309 14.676 6.896 1.00 96.58 C +HETATM 66 O HYP A 12 0.156 15.021 6.612 1.00 94.54 O +HETATM 67 CB HYP A 12 1.400 13.680 9.174 1.00 93.09 C +HETATM 68 CG HYP A 12 1.189 14.298 10.507 1.00 92.15 C +HETATM 69 CD HYP A 12 0.664 15.660 10.138 1.00 94.50 C +HETATM 70 OD1 HYP A 12 2.393 14.421 11.231 1.00 92.89 O +ATOM 71 N GLY A 13 2.133 14.123 5.988 1.00 95.72 N +ATOM 72 CA GLY A 13 1.713 13.839 4.640 1.00 95.16 C +ATOM 73 C GLY A 13 0.707 12.695 4.602 1.00 95.70 C +ATOM 74 O GLY A 13 0.538 11.974 5.583 1.00 95.71 O +ATOM 75 N PRO A 14 0.044 12.493 3.444 1.00 96.16 N +ATOM 76 CA PRO A 14 -0.930 11.410 3.330 1.00 95.71 C +ATOM 77 C PRO A 14 -0.256 10.043 3.269 1.00 95.80 C +ATOM 78 O PRO A 14 0.905 9.918 2.880 1.00 94.48 O +ATOM 79 CB PRO A 14 -1.663 11.728 2.025 1.00 93.85 C +ATOM 80 CG PRO A 14 -0.637 12.446 1.221 1.00 93.13 C +ATOM 81 CD PRO A 14 0.137 13.276 2.224 1.00 94.88 C +ATOM 82 N VAL A 15 -1.011 8.995 3.657 1.00 95.43 N +ATOM 83 CA VAL A 15 -0.518 7.618 3.611 1.00 94.72 C +ATOM 84 C VAL A 15 -0.510 7.160 2.152 1.00 95.02 C +ATOM 85 O VAL A 15 -1.431 7.463 1.390 1.00 94.02 O +ATOM 86 CB VAL A 15 -1.398 6.695 4.467 1.00 92.08 C +ATOM 87 CG1 VAL A 15 -0.951 5.251 4.342 1.00 86.19 C +ATOM 88 CG2 VAL A 15 -1.350 7.128 5.916 1.00 84.96 C +ATOM 89 N ALA A 16 0.539 6.429 1.749 1.00 93.66 N +ATOM 90 CA ALA A 16 0.640 5.934 0.389 1.00 93.39 C +ATOM 91 C ALA A 16 -0.441 4.888 0.117 1.00 93.55 C +ATOM 92 O ALA A 16 -0.840 4.146 1.025 1.00 92.91 O +ATOM 93 CB ALA A 16 2.022 5.332 0.141 1.00 90.52 C +ATOM 94 N PRO A 17 -0.924 4.765 -1.130 1.00 95.84 N +ATOM 95 CA PRO A 17 -1.927 3.757 -1.459 1.00 95.32 C +ATOM 96 C PRO A 17 -1.356 2.345 -1.320 1.00 95.52 C +ATOM 97 O PRO A 17 -0.150 2.128 -1.415 1.00 94.58 O +ATOM 98 CB PRO A 17 -2.295 4.054 -2.918 1.00 93.31 C +ATOM 99 CG PRO A 17 -1.825 5.446 -3.154 1.00 92.51 C +ATOM 100 CD PRO A 17 -0.625 5.621 -2.281 1.00 93.53 C +ATOM 101 N ALA A 18 -2.244 1.368 -1.104 1.00 93.99 N +ATOM 102 CA ALA A 18 -1.829 -0.023 -1.020 1.00 94.23 C +ATOM 103 C ALA A 18 -1.313 -0.489 -2.381 1.00 94.19 C +ATOM 104 O ALA A 18 -1.754 -0.006 -3.432 1.00 91.21 O +ATOM 105 CB ALA A 18 -2.997 -0.904 -0.580 1.00 91.07 C +ATOM 106 N GLY A 19 -0.360 -1.420 -2.365 1.00 92.96 N +ATOM 107 CA GLY A 19 0.190 -1.942 -3.605 1.00 91.82 C +ATOM 108 C GLY A 19 -0.835 -2.741 -4.397 1.00 92.46 C +ATOM 109 O GLY A 19 -1.825 -3.227 -3.851 1.00 92.73 O +ATOM 110 N ALA A 20 -0.583 -2.888 -5.699 1.00 93.74 N +ATOM 111 CA ALA A 20 -1.468 -3.641 -6.570 1.00 93.64 C +ATOM 112 C ALA A 20 -1.335 -5.131 -6.293 1.00 93.85 C +ATOM 113 O ALA A 20 -0.304 -5.609 -5.821 1.00 91.73 O +ATOM 114 CB ALA A 20 -1.136 -3.351 -8.029 1.00 90.05 C +ATOM 115 N ARG A 21 -2.398 -5.896 -6.608 1.00 91.69 N +ATOM 116 CA ARG A 21 -2.378 -7.340 -6.444 1.00 91.47 C +ATOM 117 C ARG A 21 -1.338 -7.943 -7.379 1.00 91.12 C +ATOM 118 O ARG A 21 -1.127 -7.450 -8.488 1.00 88.41 O +ATOM 119 CB ARG A 21 -3.771 -7.918 -6.737 1.00 87.59 C +ATOM 120 CG ARG A 21 -3.851 -9.426 -6.571 1.00 81.09 C +ATOM 121 CD ARG A 21 -5.244 -9.957 -6.857 1.00 78.00 C +ATOM 122 NE ARG A 21 -5.303 -11.404 -6.727 1.00 73.60 N +ATOM 123 CZ ARG A 21 -6.395 -12.131 -6.906 1.00 68.72 C +ATOM 124 NH1 ARG A 21 -7.546 -11.554 -7.226 1.00 65.56 N +ATOM 125 NH2 ARG A 21 -6.351 -13.445 -6.772 1.00 62.89 N +ATOM 126 N GLY A 22 -0.700 -9.014 -6.934 1.00 92.21 N +ATOM 127 CA GLY A 22 0.289 -9.698 -7.747 1.00 90.92 C +ATOM 128 C GLY A 22 -0.328 -10.398 -8.948 1.00 91.73 C +ATOM 129 O GLY A 22 -1.555 -10.513 -9.040 1.00 92.28 O +ATOM 130 N PRO A 23 0.505 -10.893 -9.880 1.00 92.10 N +ATOM 131 CA PRO A 23 -0.002 -11.562 -11.077 1.00 92.15 C +ATOM 132 C PRO A 23 -0.606 -12.915 -10.748 1.00 92.34 C +ATOM 133 O PRO A 23 -0.316 -13.503 -9.715 1.00 91.91 O +ATOM 134 CB PRO A 23 1.237 -11.700 -11.965 1.00 89.57 C +ATOM 135 CG PRO A 23 2.361 -11.762 -10.991 1.00 88.04 C +ATOM 136 CD PRO A 23 1.970 -10.820 -9.886 1.00 90.10 C +HETATM 137 N HYP A 24 -1.405 -13.444 -11.671 1.00 90.65 N +HETATM 138 CA HYP A 24 -2.015 -14.752 -11.535 1.00 86.36 C +HETATM 139 C HYP A 24 -0.956 -15.869 -11.478 1.00 91.57 C +HETATM 140 O HYP A 24 0.132 -15.711 -12.069 1.00 89.91 O +HETATM 141 CB HYP A 24 -2.868 -14.866 -12.793 1.00 86.95 C +HETATM 142 CG HYP A 24 -3.182 -13.439 -13.175 1.00 86.29 C +HETATM 143 CD HYP A 24 -1.915 -12.733 -12.811 1.00 91.54 C +HETATM 144 OD1 HYP A 24 -4.262 -12.933 -12.434 1.00 89.35 O +ATOM 145 N GLY A 25 -1.237 -16.919 -10.755 1.00 92.13 N +ATOM 146 CA GLY A 25 -0.336 -18.040 -10.686 1.00 91.59 C +ATOM 147 C GLY A 25 -0.307 -18.805 -12.004 1.00 92.60 C +ATOM 148 O GLY A 25 -1.092 -18.530 -12.914 1.00 92.33 O +ATOM 149 N PRO A 26 0.601 -19.784 -12.122 1.00 92.92 N +ATOM 150 CA PRO A 26 0.709 -20.558 -13.350 1.00 92.66 C +ATOM 151 C PRO A 26 -0.492 -21.475 -13.541 1.00 93.11 C +ATOM 152 O PRO A 26 -1.164 -21.839 -12.586 1.00 92.02 O +ATOM 153 CB PRO A 26 2.002 -21.349 -13.156 1.00 90.25 C +ATOM 154 CG PRO A 26 2.111 -21.478 -11.681 1.00 88.77 C +ATOM 155 CD PRO A 26 1.588 -20.182 -11.123 1.00 90.05 C +HETATM 156 N HYP A 27 -0.727 -21.889 -14.781 1.00 90.27 N +HETATM 157 CA HYP A 27 -1.826 -22.825 -15.083 1.00 88.35 C +HETATM 158 C HYP A 27 -1.636 -24.180 -14.409 1.00 92.37 C +HETATM 159 O HYP A 27 -0.506 -24.604 -14.190 1.00 91.96 O +HETATM 160 CB HYP A 27 -1.755 -22.964 -16.616 1.00 87.28 C +HETATM 161 CG HYP A 27 -1.038 -21.724 -17.120 1.00 87.04 C +HETATM 162 CD HYP A 27 -0.079 -21.408 -15.992 1.00 90.76 C +HETATM 163 OD1 HYP A 27 -1.932 -20.642 -17.246 1.00 88.94 O +ATOM 164 N GLY A 28 -2.727 -24.840 -14.047 1.00 88.11 N +ATOM 165 CA GLY A 28 -2.668 -26.145 -13.441 1.00 87.38 C +ATOM 166 C GLY A 28 -2.211 -27.195 -14.437 1.00 88.43 C +ATOM 167 O GLY A 28 -2.159 -26.944 -15.645 1.00 87.37 O +ATOM 168 N PRO A 29 -1.903 -28.398 -13.956 1.00 90.00 N +ATOM 169 CA PRO A 29 -1.447 -29.468 -14.836 1.00 89.08 C +ATOM 170 C PRO A 29 -2.592 -30.010 -15.689 1.00 88.60 C +ATOM 171 O PRO A 29 -3.757 -29.862 -15.344 1.00 87.01 O +ATOM 172 CB PRO A 29 -0.907 -30.516 -13.864 1.00 85.52 C +ATOM 173 CG PRO A 29 -1.707 -30.288 -12.636 1.00 82.90 C +ATOM 174 CD PRO A 29 -1.897 -28.800 -12.554 1.00 85.41 C +HETATM 175 N HYP A 30 -2.256 -30.683 -16.800 1.00 90.97 N +HETATM 176 CA HYP A 30 -3.254 -31.296 -17.653 1.00 88.09 C +HETATM 177 C HYP A 30 -4.031 -32.425 -16.966 1.00 91.86 C +HETATM 178 O HYP A 30 -3.496 -33.073 -16.094 1.00 91.05 O +HETATM 179 CB HYP A 30 -2.420 -31.876 -18.833 1.00 89.07 C +HETATM 180 CG HYP A 30 -1.142 -31.027 -18.875 1.00 86.79 C +HETATM 181 CD HYP A 30 -0.920 -30.684 -17.393 1.00 89.58 C +HETATM 182 OD1 HYP A 30 -1.353 -29.812 -19.574 1.00 86.77 O +ATOM 183 N GLY A 31 -5.287 -32.612 -17.290 1.00 82.91 N +ATOM 184 CA GLY A 31 -6.098 -33.653 -16.714 1.00 81.17 C +ATOM 185 C GLY A 31 -5.657 -35.034 -17.186 1.00 82.01 C +ATOM 186 O GLY A 31 -4.879 -35.146 -18.135 1.00 79.21 O +ATOM 187 N PRO A 32 -6.172 -36.118 -16.558 1.00 89.60 N +ATOM 188 CA PRO A 32 -5.798 -37.470 -16.954 1.00 89.89 C +ATOM 189 C PRO A 32 -6.405 -37.830 -18.297 1.00 89.22 C +ATOM 190 O PRO A 32 -7.437 -37.278 -18.689 1.00 85.19 O +ATOM 191 CB PRO A 32 -6.345 -38.340 -15.828 1.00 85.29 C +ATOM 192 CG PRO A 32 -7.499 -37.559 -15.310 1.00 81.46 C +ATOM 193 CD PRO A 32 -7.079 -36.116 -15.419 1.00 84.40 C +HETATM 194 N HYP A 33 -5.817 -38.803 -18.972 1.00 89.58 N +HETATM 195 CA HYP A 33 -6.338 -39.141 -20.303 1.00 81.60 C +HETATM 196 C HYP A 33 -7.778 -39.634 -20.231 1.00 79.19 C +HETATM 197 O HYP A 33 -8.061 -40.685 -19.629 1.00 83.26 O +HETATM 198 CB HYP A 33 -5.425 -40.309 -20.801 1.00 82.12 C +HETATM 199 CG HYP A 33 -4.233 -40.329 -19.895 1.00 80.22 C +HETATM 200 CD HYP A 33 -4.677 -39.663 -18.600 1.00 85.76 C +HETATM 201 OD1 HYP A 33 -3.204 -39.546 -20.463 1.00 77.64 O +HETATM 202 OXT HYP A 33 -8.599 -38.851 -20.743 1.00 83.11 O +TER 203 HYP A 33 +END diff --git a/protein_pdb_602.txt b/protein_pdb_602.txt new file mode 100644 index 0000000000000000000000000000000000000000..ee01b4a7e8c8fce585e1b5c0c46ec7b24cddee0d --- /dev/null +++ b/protein_pdb_602.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 14.129 -0.779 -5.269 1.00 93.40 N +ATOM 2 CA GLY A 1 12.886 -0.378 -5.836 1.00 93.92 C +ATOM 3 C GLY A 1 12.125 0.611 -4.984 1.00 94.91 C +ATOM 4 O GLY A 1 12.417 0.781 -3.804 1.00 93.97 O +ATOM 5 N PRO A 2 11.165 1.241 -5.557 1.00 93.40 N +ATOM 6 CA PRO A 2 10.361 2.214 -4.849 1.00 93.78 C +ATOM 7 C PRO A 2 9.374 1.543 -3.912 1.00 93.74 C +ATOM 8 O PRO A 2 9.147 0.339 -3.992 1.00 92.57 O +ATOM 9 CB PRO A 2 9.646 2.956 -5.971 1.00 91.70 C +ATOM 10 CG PRO A 2 9.506 1.915 -7.025 1.00 88.62 C +ATOM 11 CD PRO A 2 10.777 1.117 -6.954 1.00 91.26 C +HETATM 12 N HYP A 3 8.802 2.363 -3.027 1.00 94.28 N +HETATM 13 CA HYP A 3 7.782 1.811 -2.146 1.00 92.98 C +HETATM 14 C HYP A 3 6.600 1.284 -2.917 1.00 95.17 C +HETATM 15 O HYP A 3 6.273 1.832 -3.998 1.00 94.22 O +HETATM 16 CB HYP A 3 7.325 3.079 -1.333 1.00 91.68 C +HETATM 17 CG HYP A 3 8.536 3.998 -1.359 1.00 88.30 C +HETATM 18 CD HYP A 3 9.100 3.749 -2.788 1.00 91.37 C +HETATM 19 OD1 HYP A 3 9.451 3.521 -0.421 1.00 91.59 O +ATOM 20 N GLY A 4 6.058 0.203 -2.432 1.00 94.62 N +ATOM 21 CA GLY A 4 4.899 -0.364 -3.066 1.00 94.38 C +ATOM 22 C GLY A 4 3.693 0.540 -2.899 1.00 94.90 C +ATOM 23 O GLY A 4 3.691 1.453 -2.077 1.00 95.13 O +ATOM 24 N PRO A 5 2.642 0.300 -3.680 1.00 94.41 N +ATOM 25 CA PRO A 5 1.434 1.107 -3.586 1.00 94.18 C +ATOM 26 C PRO A 5 0.677 0.822 -2.303 1.00 94.03 C +ATOM 27 O PRO A 5 0.914 -0.177 -1.640 1.00 93.40 O +ATOM 28 CB PRO A 5 0.634 0.689 -4.814 1.00 92.82 C +ATOM 29 CG PRO A 5 1.055 -0.719 -5.029 1.00 90.92 C +ATOM 30 CD PRO A 5 2.516 -0.746 -4.686 1.00 93.21 C +HETATM 31 N HYP A 6 -0.227 1.765 -1.970 1.00 93.75 N +HETATM 32 CA HYP A 6 -1.071 1.505 -0.812 1.00 94.89 C +HETATM 33 C HYP A 6 -1.852 0.253 -0.961 1.00 94.29 C +HETATM 34 O HYP A 6 -2.268 -0.119 -2.109 1.00 94.33 O +HETATM 35 CB HYP A 6 -1.996 2.755 -0.813 1.00 89.91 C +HETATM 36 CG HYP A 6 -1.228 3.830 -1.525 1.00 90.13 C +HETATM 37 CD HYP A 6 -0.492 3.045 -2.601 1.00 92.58 C +HETATM 38 OD1 HYP A 6 -0.304 4.399 -0.635 1.00 90.32 O +ATOM 39 N GLY A 7 -2.022 -0.475 0.110 1.00 94.11 N +ATOM 40 CA GLY A 7 -2.796 -1.683 0.086 1.00 93.89 C +ATOM 41 C GLY A 7 -4.247 -1.390 -0.237 1.00 94.22 C +ATOM 42 O GLY A 7 -4.696 -0.250 -0.173 1.00 93.96 O +ATOM 43 N PRO A 8 -4.997 -2.416 -0.594 1.00 94.52 N +ATOM 44 CA PRO A 8 -6.400 -2.218 -0.918 1.00 94.46 C +ATOM 45 C PRO A 8 -7.213 -1.899 0.324 1.00 94.44 C +ATOM 46 O PRO A 8 -6.796 -2.173 1.442 1.00 93.35 O +ATOM 47 CB PRO A 8 -6.813 -3.555 -1.525 1.00 92.90 C +ATOM 48 CG PRO A 8 -5.911 -4.529 -0.862 1.00 91.65 C +ATOM 49 CD PRO A 8 -4.594 -3.810 -0.717 1.00 93.84 C +HETATM 50 N HYP A 9 -8.384 -1.300 0.105 1.00 93.27 N +HETATM 51 CA HYP A 9 -9.253 -1.036 1.202 1.00 92.78 C +HETATM 52 C HYP A 9 -9.716 -2.309 1.835 1.00 93.57 C +HETATM 53 O HYP A 9 -9.918 -3.312 1.163 1.00 93.16 O +HETATM 54 CB HYP A 9 -10.466 -0.358 0.482 1.00 89.01 C +HETATM 55 CG HYP A 9 -9.929 0.209 -0.764 1.00 88.55 C +HETATM 56 CD HYP A 9 -8.863 -0.750 -1.174 1.00 91.71 C +HETATM 57 OD1 HYP A 9 -9.330 1.453 -0.490 1.00 88.05 O +ATOM 58 N GLY A 10 -9.897 -2.370 3.136 1.00 92.81 N +ATOM 59 CA GLY A 10 -10.530 -3.484 3.797 1.00 91.18 C +ATOM 60 C GLY A 10 -12.014 -3.459 3.496 1.00 91.49 C +ATOM 61 O GLY A 10 -12.483 -2.663 2.680 1.00 90.31 O +ATOM 62 N CYS A 11 -12.764 -4.314 4.161 1.00 92.11 N +ATOM 63 CA CYS A 11 -14.211 -4.295 3.944 1.00 93.34 C +ATOM 64 C CYS A 11 -14.772 -2.898 4.139 1.00 93.27 C +ATOM 65 O CYS A 11 -15.614 -2.449 3.366 1.00 91.05 O +ATOM 66 CB CYS A 11 -14.894 -5.272 4.898 1.00 91.09 C +ATOM 67 SG CYS A 11 -14.510 -6.984 4.515 1.00 85.57 S +ATOM 68 N TRP A 12 -14.283 -2.225 5.177 1.00 90.85 N +ATOM 69 CA TRP A 12 -14.627 -0.831 5.426 1.00 91.75 C +ATOM 70 C TRP A 12 -13.404 -0.029 5.827 1.00 92.07 C +ATOM 71 O TRP A 12 -13.484 1.180 5.998 1.00 88.89 O +ATOM 72 CB TRP A 12 -15.674 -0.729 6.532 1.00 90.43 C +ATOM 73 CG TRP A 12 -16.965 -1.398 6.210 1.00 85.88 C +ATOM 74 CD1 TRP A 12 -18.005 -0.875 5.521 1.00 85.13 C +ATOM 75 CD2 TRP A 12 -17.356 -2.730 6.564 1.00 84.25 C +ATOM 76 NE1 TRP A 12 -19.029 -1.785 5.410 1.00 77.54 N +ATOM 77 CE2 TRP A 12 -18.650 -2.933 6.040 1.00 82.21 C +ATOM 78 CE3 TRP A 12 -16.735 -3.764 7.266 1.00 79.75 C +ATOM 79 CZ2 TRP A 12 -19.341 -4.133 6.210 1.00 84.76 C +ATOM 80 CZ3 TRP A 12 -17.414 -4.959 7.428 1.00 76.31 C +ATOM 81 CH2 TRP A 12 -18.695 -5.136 6.909 1.00 74.42 C +ATOM 82 N GLY A 13 -12.312 -0.717 6.017 1.00 95.22 N +ATOM 83 CA GLY A 13 -11.109 -0.093 6.509 1.00 95.04 C +ATOM 84 C GLY A 13 -10.410 0.766 5.484 1.00 95.63 C +ATOM 85 O GLY A 13 -10.704 0.713 4.288 1.00 95.39 O +ATOM 86 N PRO A 14 -9.458 1.574 5.952 1.00 95.82 N +ATOM 87 CA PRO A 14 -8.687 2.438 5.068 1.00 95.57 C +ATOM 88 C PRO A 14 -7.692 1.629 4.254 1.00 95.61 C +ATOM 89 O PRO A 14 -7.453 0.458 4.526 1.00 94.80 O +ATOM 90 CB PRO A 14 -7.977 3.383 6.031 1.00 94.35 C +ATOM 91 CG PRO A 14 -7.793 2.551 7.254 1.00 92.91 C +ATOM 92 CD PRO A 14 -9.048 1.711 7.341 1.00 94.40 C +HETATM 93 N HYP A 15 -7.120 2.305 3.254 1.00 94.59 N +HETATM 94 CA HYP A 15 -6.097 1.654 2.488 1.00 95.17 C +HETATM 95 C HYP A 15 -4.946 1.224 3.329 1.00 95.98 C +HETATM 96 O HYP A 15 -4.646 1.893 4.351 1.00 94.30 O +HETATM 97 CB HYP A 15 -5.677 2.796 1.509 1.00 91.88 C +HETATM 98 CG HYP A 15 -6.919 3.658 1.387 1.00 90.07 C +HETATM 99 CD HYP A 15 -7.472 3.636 2.795 1.00 92.95 C +HETATM 100 OD1 HYP A 15 -7.816 3.077 0.491 1.00 90.84 O +ATOM 101 N GLY A 16 -4.347 0.127 2.985 1.00 95.50 N +ATOM 102 CA GLY A 16 -3.196 -0.334 3.701 1.00 95.15 C +ATOM 103 C GLY A 16 -2.028 0.607 3.499 1.00 95.51 C +ATOM 104 O GLY A 16 -2.057 1.478 2.626 1.00 95.16 O +ATOM 105 N PRO A 17 -0.993 0.444 4.308 1.00 94.14 N +ATOM 106 CA PRO A 17 0.181 1.294 4.181 1.00 93.89 C +ATOM 107 C PRO A 17 0.941 0.990 2.907 1.00 94.23 C +ATOM 108 O PRO A 17 0.756 -0.058 2.296 1.00 93.32 O +ATOM 109 CB PRO A 17 0.993 0.961 5.425 1.00 92.45 C +ATOM 110 CG PRO A 17 0.615 -0.444 5.714 1.00 90.16 C +ATOM 111 CD PRO A 17 -0.849 -0.534 5.371 1.00 92.05 C +HETATM 112 N HYP A 18 1.800 1.948 2.521 1.00 89.97 N +HETATM 113 CA HYP A 18 2.641 1.674 1.395 1.00 90.18 C +HETATM 114 C HYP A 18 3.487 0.463 1.593 1.00 92.26 C +HETATM 115 O HYP A 18 3.888 0.166 2.732 1.00 92.08 O +HETATM 116 CB HYP A 18 3.515 2.944 1.291 1.00 86.62 C +HETATM 117 CG HYP A 18 2.706 4.022 1.943 1.00 85.71 C +HETATM 118 CD HYP A 18 2.019 3.270 3.071 1.00 90.06 C +HETATM 119 OD1 HYP A 18 1.733 4.511 1.036 1.00 86.60 O +ATOM 120 N GLY A 19 3.691 -0.290 0.546 1.00 91.42 N +ATOM 121 CA GLY A 19 4.526 -1.456 0.612 1.00 91.35 C +ATOM 122 C GLY A 19 5.962 -1.070 0.893 1.00 91.41 C +ATOM 123 O GLY A 19 6.350 0.089 0.742 1.00 92.28 O +ATOM 124 N PRO A 20 6.768 -2.031 1.305 1.00 91.50 N +ATOM 125 CA PRO A 20 8.169 -1.748 1.581 1.00 91.76 C +ATOM 126 C PRO A 20 8.938 -1.478 0.303 1.00 91.42 C +ATOM 127 O PRO A 20 8.494 -1.822 -0.789 1.00 90.87 O +ATOM 128 CB PRO A 20 8.651 -3.019 2.272 1.00 90.15 C +ATOM 129 CG PRO A 20 7.781 -4.074 1.692 1.00 87.99 C +ATOM 130 CD PRO A 20 6.435 -3.425 1.528 1.00 91.09 C +HETATM 131 N HYP A 21 10.098 -0.840 0.476 1.00 89.86 N +HETATM 132 CA HYP A 21 10.940 -0.634 -0.679 1.00 90.99 C +HETATM 133 C HYP A 21 11.335 -1.927 -1.356 1.00 90.77 C +HETATM 134 O HYP A 21 11.543 -2.923 -0.673 1.00 92.71 O +HETATM 135 CB HYP A 21 12.180 0.069 -0.100 1.00 87.86 C +HETATM 136 CG HYP A 21 11.699 0.757 1.152 1.00 84.31 C +HETATM 137 CD HYP A 21 10.659 -0.214 1.683 1.00 89.22 C +HETATM 138 OD1 HYP A 21 11.040 1.970 0.798 1.00 85.94 O +ATOM 139 N GLY A 22 11.354 -1.930 -2.645 1.00 91.64 N +ATOM 140 CA GLY A 22 11.751 -3.088 -3.383 1.00 90.37 C +ATOM 141 C GLY A 22 13.251 -3.314 -3.248 1.00 89.92 C +ATOM 142 O GLY A 22 13.957 -2.490 -2.673 1.00 89.94 O +ATOM 143 N PRO A 23 13.770 -4.418 -3.780 1.00 92.60 N +ATOM 144 CA PRO A 23 15.200 -4.681 -3.716 1.00 92.29 C +ATOM 145 C PRO A 23 15.936 -3.777 -4.687 1.00 90.92 C +ATOM 146 O PRO A 23 15.965 -4.044 -5.888 1.00 88.01 O +ATOM 147 CB PRO A 23 15.296 -6.154 -4.110 1.00 89.90 C +ATOM 148 CG PRO A 23 14.126 -6.364 -4.996 1.00 87.31 C +ATOM 149 CD PRO A 23 13.038 -5.472 -4.460 1.00 90.85 C +HETATM 150 N HYP A 24 16.397 -2.662 -4.276 1.00 95.29 N +HETATM 151 CA HYP A 24 16.681 -1.449 -5.147 1.00 91.22 C +HETATM 152 C HYP A 24 15.626 -0.738 -5.677 1.00 95.28 C +HETATM 153 O HYP A 24 15.558 -0.708 -6.994 1.00 93.58 O +HETATM 154 CB HYP A 24 17.789 -0.763 -4.432 1.00 91.35 C +HETATM 155 CG HYP A 24 18.573 -1.941 -3.892 1.00 91.53 C +HETATM 156 CD HYP A 24 17.482 -2.943 -3.462 1.00 93.23 C +HETATM 157 OD1 HYP A 24 19.471 -1.619 -2.912 1.00 90.95 O +HETATM 158 OXT HYP A 24 15.481 0.624 -5.378 1.00 88.36 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_603.txt b/protein_pdb_603.txt new file mode 100644 index 0000000000000000000000000000000000000000..2e2c830cfbc7b5c2000863bbe99704a4de7591f6 --- /dev/null +++ b/protein_pdb_603.txt @@ -0,0 +1,166 @@ +ATOM 1 N GLY A 1 -9.833 14.093 -2.896 1.00 91.10 N +ATOM 2 CA GLY A 1 -10.067 12.748 -3.306 1.00 92.22 C +ATOM 3 C GLY A 1 -10.124 11.750 -2.169 1.00 93.21 C +ATOM 4 O GLY A 1 -9.800 12.072 -1.027 1.00 91.74 O +ATOM 5 N PRO A 2 -10.495 10.557 -2.473 1.00 92.60 N +ATOM 6 CA PRO A 2 -10.588 9.510 -1.472 1.00 93.25 C +ATOM 7 C PRO A 2 -9.219 8.966 -1.109 1.00 93.73 C +ATOM 8 O PRO A 2 -8.232 9.202 -1.798 1.00 92.22 O +ATOM 9 CB PRO A 2 -11.431 8.456 -2.173 1.00 90.57 C +ATOM 10 CG PRO A 2 -11.096 8.632 -3.607 1.00 86.43 C +ATOM 11 CD PRO A 2 -10.879 10.107 -3.800 1.00 89.51 C +HETATM 12 N HYP A 3 -9.219 8.241 -0.019 1.00 92.27 N +HETATM 13 CA HYP A 3 -7.970 7.567 0.383 1.00 91.27 C +HETATM 14 C HYP A 3 -7.511 6.555 -0.650 1.00 93.07 C +HETATM 15 O HYP A 3 -8.368 5.958 -1.345 1.00 94.55 O +HETATM 16 CB HYP A 3 -8.383 6.881 1.700 1.00 89.38 C +HETATM 17 CG HYP A 3 -9.498 7.761 2.239 1.00 87.11 C +HETATM 18 CD HYP A 3 -10.234 8.168 0.951 1.00 91.12 C +HETATM 19 OD1 HYP A 3 -8.919 8.888 2.831 1.00 90.08 O +ATOM 20 N GLY A 4 -6.234 6.415 -0.780 1.00 93.74 N +ATOM 21 CA GLY A 4 -5.684 5.445 -1.681 1.00 93.16 C +ATOM 22 C GLY A 4 -5.923 4.031 -1.189 1.00 93.23 C +ATOM 23 O GLY A 4 -6.403 3.808 -0.080 1.00 93.57 O +ATOM 24 N PRO A 5 -5.580 3.049 -2.016 1.00 93.82 N +ATOM 25 CA PRO A 5 -5.778 1.656 -1.634 1.00 93.66 C +ATOM 26 C PRO A 5 -4.789 1.222 -0.566 1.00 93.63 C +ATOM 27 O PRO A 5 -3.784 1.888 -0.326 1.00 92.54 O +ATOM 28 CB PRO A 5 -5.548 0.900 -2.945 1.00 91.87 C +ATOM 29 CG PRO A 5 -4.622 1.774 -3.702 1.00 89.50 C +ATOM 30 CD PRO A 5 -4.972 3.180 -3.335 1.00 92.53 C +HETATM 31 N HYP A 6 -5.124 0.086 0.062 1.00 92.76 N +HETATM 32 CA HYP A 6 -4.188 -0.488 1.013 1.00 95.58 C +HETATM 33 C HYP A 6 -2.848 -0.771 0.414 1.00 94.68 C +HETATM 34 O HYP A 6 -2.759 -1.137 -0.800 1.00 94.66 O +HETATM 35 CB HYP A 6 -4.906 -1.734 1.489 1.00 91.28 C +HETATM 36 CG HYP A 6 -6.372 -1.436 1.284 1.00 90.74 C +HETATM 37 CD HYP A 6 -6.352 -0.623 0.009 1.00 91.89 C +HETATM 38 OD1 HYP A 6 -6.855 -0.646 2.334 1.00 90.70 O +ATOM 39 N GLY A 7 -1.798 -0.565 1.157 1.00 94.83 N +ATOM 40 CA GLY A 7 -0.471 -0.855 0.692 1.00 94.38 C +ATOM 41 C GLY A 7 -0.261 -2.339 0.476 1.00 94.54 C +ATOM 42 O GLY A 7 -1.079 -3.171 0.857 1.00 94.34 O +ATOM 43 N PRO A 8 0.860 -2.686 -0.139 1.00 94.93 N +ATOM 44 CA PRO A 8 1.150 -4.087 -0.379 1.00 94.56 C +ATOM 45 C PRO A 8 1.447 -4.825 0.917 1.00 94.63 C +ATOM 46 O PRO A 8 1.813 -4.224 1.921 1.00 93.56 O +ATOM 47 CB PRO A 8 2.384 -4.079 -1.282 1.00 92.79 C +ATOM 48 CG PRO A 8 2.747 -2.677 -1.476 1.00 91.47 C +ATOM 49 CD PRO A 8 1.895 -1.796 -0.634 1.00 93.52 C +HETATM 50 N HYP A 9 1.291 -6.166 0.865 1.00 94.59 N +HETATM 51 CA HYP A 9 1.628 -6.964 1.990 1.00 93.77 C +HETATM 52 C HYP A 9 3.093 -6.916 2.292 1.00 94.47 C +HETATM 53 O HYP A 9 3.935 -6.822 1.376 1.00 94.35 O +HETATM 54 CB HYP A 9 1.297 -8.406 1.519 1.00 91.56 C +HETATM 55 CG HYP A 9 0.277 -8.241 0.479 1.00 91.30 C +HETATM 56 CD HYP A 9 0.668 -6.957 -0.199 1.00 93.20 C +HETATM 57 OD1 HYP A 9 -0.983 -8.081 1.086 1.00 90.50 O +ATOM 58 N GLY A 10 3.515 -6.967 3.528 1.00 94.16 N +ATOM 59 CA GLY A 10 4.888 -7.188 3.889 1.00 92.27 C +ATOM 60 C GLY A 10 5.255 -8.652 3.707 1.00 92.34 C +ATOM 61 O GLY A 10 4.509 -9.429 3.111 1.00 91.52 O +ATOM 62 N TRP A 11 6.413 -9.024 4.238 1.00 94.83 N +ATOM 63 CA TRP A 11 6.776 -10.436 4.162 1.00 94.56 C +ATOM 64 C TRP A 11 5.721 -11.297 4.839 1.00 94.15 C +ATOM 65 O TRP A 11 5.389 -12.377 4.346 1.00 92.73 O +ATOM 66 CB TRP A 11 8.134 -10.666 4.817 1.00 93.64 C +ATOM 67 CG TRP A 11 9.281 -10.068 4.062 1.00 88.60 C +ATOM 68 CD1 TRP A 11 9.280 -9.569 2.803 1.00 88.82 C +ATOM 69 CD2 TRP A 11 10.635 -9.925 4.532 1.00 88.32 C +ATOM 70 NE1 TRP A 11 10.526 -9.130 2.454 1.00 81.37 N +ATOM 71 CE2 TRP A 11 11.379 -9.333 3.492 1.00 85.69 C +ATOM 72 CE3 TRP A 11 11.280 -10.245 5.729 1.00 84.11 C +ATOM 73 CZ2 TRP A 11 12.741 -9.048 3.625 1.00 89.12 C +ATOM 74 CZ3 TRP A 11 12.632 -9.964 5.853 1.00 82.16 C +ATOM 75 CH2 TRP A 11 13.348 -9.376 4.822 1.00 81.03 C +ATOM 76 N TYR A 12 5.203 -10.814 5.948 1.00 93.70 N +ATOM 77 CA TYR A 12 4.079 -11.431 6.646 1.00 93.87 C +ATOM 78 C TYR A 12 3.173 -10.305 7.115 1.00 93.81 C +ATOM 79 O TYR A 12 3.653 -9.243 7.512 1.00 91.83 O +ATOM 80 CB TYR A 12 4.559 -12.236 7.858 1.00 92.62 C +ATOM 81 CG TYR A 12 5.406 -13.419 7.496 1.00 88.45 C +ATOM 82 CD1 TYR A 12 4.828 -14.584 7.015 1.00 86.32 C +ATOM 83 CD2 TYR A 12 6.788 -13.387 7.622 1.00 83.75 C +ATOM 84 CE1 TYR A 12 5.602 -15.676 6.667 1.00 82.48 C +ATOM 85 CE2 TYR A 12 7.574 -14.474 7.271 1.00 82.82 C +ATOM 86 CZ TYR A 12 6.976 -15.618 6.795 1.00 82.78 C +ATOM 87 OH TYR A 12 7.740 -16.704 6.450 1.00 82.08 O +ATOM 88 N GLY A 13 1.869 -10.542 7.071 1.00 95.98 N +ATOM 89 CA GLY A 13 0.929 -9.579 7.595 1.00 95.35 C +ATOM 90 C GLY A 13 0.051 -8.971 6.528 1.00 95.84 C +ATOM 91 O GLY A 13 0.204 -9.247 5.338 1.00 95.46 O +ATOM 92 N PRO A 14 -0.896 -8.168 6.959 1.00 96.51 N +ATOM 93 CA PRO A 14 -1.907 -7.629 6.070 1.00 96.38 C +ATOM 94 C PRO A 14 -1.382 -6.498 5.202 1.00 96.50 C +ATOM 95 O PRO A 14 -0.266 -6.015 5.374 1.00 95.83 O +ATOM 96 CB PRO A 14 -2.979 -7.118 7.031 1.00 95.26 C +ATOM 97 CG PRO A 14 -2.205 -6.727 8.236 1.00 93.85 C +ATOM 98 CD PRO A 14 -1.078 -7.720 8.339 1.00 95.41 C +HETATM 99 N HYP A 15 -2.222 -6.111 4.275 1.00 95.37 N +HETATM 100 CA HYP A 15 -1.936 -4.930 3.486 1.00 96.69 C +HETATM 101 C HYP A 15 -1.691 -3.724 4.322 1.00 96.69 C +HETATM 102 O HYP A 15 -2.219 -3.640 5.456 1.00 95.43 O +HETATM 103 CB HYP A 15 -3.212 -4.830 2.650 1.00 93.19 C +HETATM 104 CG HYP A 15 -3.698 -6.256 2.522 1.00 92.16 C +HETATM 105 CD HYP A 15 -3.415 -6.819 3.891 1.00 93.76 C +HETATM 106 OD1 HYP A 15 -2.972 -6.930 1.546 1.00 90.87 O +ATOM 107 N GLY A 16 -0.925 -2.809 3.835 1.00 96.54 N +ATOM 108 CA GLY A 16 -0.678 -1.586 4.538 1.00 96.18 C +ATOM 109 C GLY A 16 -1.917 -0.723 4.640 1.00 96.32 C +ATOM 110 O GLY A 16 -2.971 -1.044 4.085 1.00 95.80 O +ATOM 111 N PRO A 17 -1.788 0.387 5.343 1.00 96.22 N +ATOM 112 CA PRO A 17 -2.922 1.292 5.494 1.00 96.05 C +ATOM 113 C PRO A 17 -3.308 1.938 4.173 1.00 96.32 C +ATOM 114 O PRO A 17 -2.535 1.958 3.220 1.00 95.46 O +ATOM 115 CB PRO A 17 -2.415 2.358 6.471 1.00 94.65 C +ATOM 116 CG PRO A 17 -1.095 1.918 6.920 1.00 92.81 C +ATOM 117 CD PRO A 17 -0.589 0.870 6.005 1.00 94.62 C +HETATM 118 N HYP A 18 -4.556 2.459 4.134 1.00 92.36 N +HETATM 119 CA HYP A 18 -4.942 3.222 3.009 1.00 93.78 C +HETATM 120 C HYP A 18 -4.037 4.367 2.720 1.00 93.36 C +HETATM 121 O HYP A 18 -3.465 4.953 3.676 1.00 94.58 O +HETATM 122 CB HYP A 18 -6.359 3.647 3.348 1.00 89.01 C +HETATM 123 CG HYP A 18 -6.866 2.580 4.283 1.00 90.29 C +HETATM 124 CD HYP A 18 -5.629 2.265 5.082 1.00 93.37 C +HETATM 125 OD1 HYP A 18 -7.279 1.456 3.552 1.00 89.98 O +ATOM 126 N GLY A 19 -3.850 4.672 1.485 1.00 93.54 N +ATOM 127 CA GLY A 19 -3.052 5.807 1.107 1.00 93.27 C +ATOM 128 C GLY A 19 -3.679 7.105 1.566 1.00 93.44 C +ATOM 129 O GLY A 19 -4.806 7.140 2.056 1.00 94.04 O +ATOM 130 N PRO A 20 -2.947 8.185 1.417 1.00 93.24 N +ATOM 131 CA PRO A 20 -3.463 9.476 1.841 1.00 93.08 C +ATOM 132 C PRO A 20 -4.581 9.953 0.934 1.00 93.12 C +ATOM 133 O PRO A 20 -4.729 9.493 -0.192 1.00 92.86 O +ATOM 134 CB PRO A 20 -2.242 10.391 1.743 1.00 91.04 C +ATOM 135 CG PRO A 20 -1.409 9.764 0.701 1.00 88.01 C +ATOM 136 CD PRO A 20 -1.617 8.284 0.823 1.00 90.88 C +HETATM 137 N HYP A 21 -5.370 10.861 1.455 1.00 93.25 N +HETATM 138 CA HYP A 21 -6.381 11.475 0.670 1.00 93.48 C +HETATM 139 C HYP A 21 -5.889 12.187 -0.539 1.00 91.46 C +HETATM 140 O HYP A 21 -4.794 12.790 -0.490 1.00 94.02 O +HETATM 141 CB HYP A 21 -7.055 12.445 1.644 1.00 90.05 C +HETATM 142 CG HYP A 21 -6.764 11.895 3.008 1.00 88.82 C +HETATM 143 CD HYP A 21 -5.403 11.301 2.841 1.00 92.58 C +HETATM 144 OD1 HYP A 21 -7.691 10.843 3.281 1.00 88.86 O +ATOM 145 N GLY A 22 -6.536 12.071 -1.632 1.00 93.54 N +ATOM 146 CA GLY A 22 -6.220 12.864 -2.783 1.00 92.17 C +ATOM 147 C GLY A 22 -6.575 14.319 -2.520 1.00 91.82 C +ATOM 148 O GLY A 22 -7.169 14.653 -1.501 1.00 91.44 O +ATOM 149 N PRO A 23 -6.238 15.208 -3.435 1.00 93.71 N +ATOM 150 CA PRO A 23 -6.601 16.608 -3.261 1.00 92.45 C +ATOM 151 C PRO A 23 -8.093 16.781 -3.513 1.00 90.22 C +ATOM 152 O PRO A 23 -8.568 16.560 -4.616 1.00 86.51 O +ATOM 153 CB PRO A 23 -5.750 17.334 -4.297 1.00 89.67 C +ATOM 154 CG PRO A 23 -5.420 16.309 -5.312 1.00 86.62 C +ATOM 155 CD PRO A 23 -5.465 14.966 -4.638 1.00 91.48 C +HETATM 156 N HYP A 24 -8.870 17.004 -2.537 1.00 93.68 N +HETATM 157 CA HYP A 24 -10.326 16.664 -2.486 1.00 88.90 C +HETATM 158 C HYP A 24 -10.723 15.365 -2.805 1.00 94.28 C +HETATM 159 O HYP A 24 -11.858 14.857 -2.334 1.00 89.91 O +HETATM 160 CB HYP A 24 -10.893 17.407 -1.379 1.00 86.61 C +HETATM 161 CG HYP A 24 -9.979 18.613 -1.261 1.00 88.03 C +HETATM 162 CD HYP A 24 -8.616 18.150 -1.822 1.00 91.97 C +HETATM 163 OD1 HYP A 24 -9.841 19.053 0.072 1.00 87.81 O +HETATM 164 OXT HYP A 24 -11.040 15.219 -4.064 1.00 84.97 O +TER 165 HYP A 24 +END diff --git a/protein_pdb_604.txt b/protein_pdb_604.txt new file mode 100644 index 0000000000000000000000000000000000000000..edee7a0bab3c1b1cc053b83c28fa495ad73d816b --- /dev/null +++ b/protein_pdb_604.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 16.096 -0.208 -0.660 1.00 92.90 N +ATOM 2 CA GLY A 1 15.203 0.228 -1.679 1.00 93.32 C +ATOM 3 C GLY A 1 13.923 0.830 -1.149 1.00 93.50 C +ATOM 4 O GLY A 1 13.607 0.708 0.031 1.00 92.31 O +ATOM 5 N PRO A 2 13.196 1.450 -2.000 1.00 92.31 N +ATOM 6 CA PRO A 2 11.938 2.057 -1.609 1.00 92.28 C +ATOM 7 C PRO A 2 10.850 1.019 -1.422 1.00 92.04 C +ATOM 8 O PRO A 2 11.010 -0.141 -1.804 1.00 90.03 O +ATOM 9 CB PRO A 2 11.634 2.977 -2.785 1.00 89.30 C +ATOM 10 CG PRO A 2 12.241 2.263 -3.942 1.00 86.33 C +ATOM 11 CD PRO A 2 13.502 1.644 -3.407 1.00 89.14 C +HETATM 12 N HYP A 3 9.776 1.473 -0.833 1.00 91.65 N +HETATM 13 CA HYP A 3 8.633 0.559 -0.682 1.00 90.87 C +HETATM 14 C HYP A 3 8.119 0.084 -2.009 1.00 91.37 C +HETATM 15 O HYP A 3 8.252 0.812 -3.024 1.00 93.53 O +HETATM 16 CB HYP A 3 7.613 1.511 0.016 1.00 89.73 C +HETATM 17 CG HYP A 3 8.454 2.518 0.759 1.00 88.61 C +HETATM 18 CD HYP A 3 9.631 2.743 -0.216 1.00 90.84 C +HETATM 19 OD1 HYP A 3 8.914 1.961 1.939 1.00 89.32 O +ATOM 20 N GLY A 4 7.609 -1.118 -2.032 1.00 92.91 N +ATOM 21 CA GLY A 4 7.048 -1.655 -3.241 1.00 92.36 C +ATOM 22 C GLY A 4 5.778 -0.914 -3.636 1.00 93.12 C +ATOM 23 O GLY A 4 5.273 -0.079 -2.893 1.00 93.50 O +ATOM 24 N PRO A 5 5.247 -1.219 -4.820 1.00 91.91 N +ATOM 25 CA PRO A 5 4.031 -0.568 -5.276 1.00 91.86 C +ATOM 26 C PRO A 5 2.824 -1.013 -4.475 1.00 91.63 C +ATOM 27 O PRO A 5 2.848 -2.055 -3.825 1.00 90.30 O +ATOM 28 CB PRO A 5 3.928 -1.002 -6.734 1.00 90.23 C +ATOM 29 CG PRO A 5 4.602 -2.332 -6.745 1.00 88.49 C +ATOM 30 CD PRO A 5 5.729 -2.210 -5.768 1.00 91.20 C +HETATM 31 N HYP A 6 1.791 -0.181 -4.508 1.00 93.39 N +HETATM 32 CA HYP A 6 0.543 -0.577 -3.883 1.00 93.87 C +HETATM 33 C HYP A 6 0.012 -1.866 -4.443 1.00 94.18 C +HETATM 34 O HYP A 6 0.250 -2.191 -5.628 1.00 92.99 O +HETATM 35 CB HYP A 6 -0.370 0.615 -4.271 1.00 91.30 C +HETATM 36 CG HYP A 6 0.558 1.775 -4.442 1.00 89.63 C +HETATM 37 CD HYP A 6 1.770 1.128 -5.092 1.00 91.27 C +HETATM 38 OD1 HYP A 6 0.922 2.299 -3.194 1.00 90.04 O +ATOM 39 N GLY A 7 -0.630 -2.609 -3.598 1.00 93.73 N +ATOM 40 CA GLY A 7 -1.232 -3.843 -4.022 1.00 92.67 C +ATOM 41 C GLY A 7 -2.360 -3.583 -5.000 1.00 92.92 C +ATOM 42 O GLY A 7 -2.773 -2.450 -5.217 1.00 92.91 O +ATOM 43 N PRO A 8 -2.876 -4.645 -5.599 1.00 93.13 N +ATOM 44 CA PRO A 8 -3.971 -4.494 -6.551 1.00 92.88 C +ATOM 45 C PRO A 8 -5.248 -4.054 -5.860 1.00 92.62 C +ATOM 46 O PRO A 8 -5.447 -4.285 -4.670 1.00 91.58 O +ATOM 47 CB PRO A 8 -4.106 -5.880 -7.173 1.00 91.09 C +ATOM 48 CG PRO A 8 -3.569 -6.795 -6.140 1.00 89.96 C +ATOM 49 CD PRO A 8 -2.480 -6.039 -5.441 1.00 91.82 C +HETATM 50 N HYP A 9 -6.130 -3.423 -6.627 1.00 92.38 N +HETATM 51 CA HYP A 9 -7.397 -3.019 -6.114 1.00 90.19 C +HETATM 52 C HYP A 9 -8.241 -4.204 -5.735 1.00 93.09 C +HETATM 53 O HYP A 9 -8.139 -5.270 -6.337 1.00 91.20 O +HETATM 54 CB HYP A 9 -8.061 -2.321 -7.335 1.00 87.14 C +HETATM 55 CG HYP A 9 -6.950 -1.883 -8.164 1.00 88.25 C +HETATM 56 CD HYP A 9 -5.896 -2.923 -7.998 1.00 90.22 C +HETATM 57 OD1 HYP A 9 -6.462 -0.653 -7.664 1.00 86.42 O +ATOM 58 N GLY A 10 -9.066 -4.102 -4.754 1.00 92.31 N +ATOM 59 CA GLY A 10 -10.059 -5.102 -4.467 1.00 89.79 C +ATOM 60 C GLY A 10 -11.177 -5.020 -5.491 1.00 89.21 C +ATOM 61 O GLY A 10 -11.115 -4.256 -6.453 1.00 87.70 O +ATOM 62 N PHE A 11 -12.218 -5.815 -5.287 1.00 91.98 N +ATOM 63 CA PHE A 11 -13.364 -5.784 -6.192 1.00 92.64 C +ATOM 64 C PHE A 11 -13.900 -4.362 -6.326 1.00 93.17 C +ATOM 65 O PHE A 11 -14.229 -3.908 -7.417 1.00 92.16 O +ATOM 66 CB PHE A 11 -14.439 -6.733 -5.658 1.00 91.05 C +ATOM 67 CG PHE A 11 -15.692 -6.738 -6.499 1.00 87.02 C +ATOM 68 CD1 PHE A 11 -16.744 -5.905 -6.190 1.00 84.99 C +ATOM 69 CD2 PHE A 11 -15.798 -7.574 -7.594 1.00 84.82 C +ATOM 70 CE1 PHE A 11 -17.891 -5.906 -6.963 1.00 82.84 C +ATOM 71 CE2 PHE A 11 -16.943 -7.578 -8.379 1.00 83.69 C +ATOM 72 CZ PHE A 11 -17.991 -6.739 -8.059 1.00 83.59 C +ATOM 73 N PHE A 12 -13.964 -3.674 -5.188 1.00 90.95 N +ATOM 74 CA PHE A 12 -14.357 -2.273 -5.152 1.00 92.58 C +ATOM 75 C PHE A 12 -13.451 -1.484 -4.211 1.00 93.16 C +ATOM 76 O PHE A 12 -13.438 -0.257 -4.237 1.00 90.60 O +ATOM 77 CB PHE A 12 -15.821 -2.168 -4.699 1.00 90.60 C +ATOM 78 CG PHE A 12 -16.370 -0.776 -4.745 1.00 86.70 C +ATOM 79 CD1 PHE A 12 -16.672 -0.185 -5.953 1.00 84.10 C +ATOM 80 CD2 PHE A 12 -16.581 -0.047 -3.587 1.00 82.08 C +ATOM 81 CE1 PHE A 12 -17.178 1.103 -6.018 1.00 81.28 C +ATOM 82 CE2 PHE A 12 -17.078 1.243 -3.633 1.00 83.08 C +ATOM 83 CZ PHE A 12 -17.381 1.818 -4.854 1.00 82.34 C +ATOM 84 N GLY A 13 -12.722 -2.190 -3.398 1.00 93.68 N +ATOM 85 CA GLY A 13 -11.891 -1.565 -2.394 1.00 93.14 C +ATOM 86 C GLY A 13 -10.667 -0.870 -2.954 1.00 93.63 C +ATOM 87 O GLY A 13 -10.353 -0.975 -4.142 1.00 93.59 O +ATOM 88 N PRO A 14 -9.961 -0.161 -2.086 1.00 94.82 N +ATOM 89 CA PRO A 14 -8.766 0.571 -2.477 1.00 94.55 C +ATOM 90 C PRO A 14 -7.604 -0.366 -2.756 1.00 94.61 C +ATOM 91 O PRO A 14 -7.657 -1.555 -2.458 1.00 93.53 O +ATOM 92 CB PRO A 14 -8.484 1.456 -1.271 1.00 93.17 C +ATOM 93 CG PRO A 14 -8.993 0.656 -0.124 1.00 91.87 C +ATOM 94 CD PRO A 14 -10.223 -0.033 -0.657 1.00 93.32 C +HETATM 95 N HYP A 15 -6.571 0.214 -3.304 1.00 93.55 N +HETATM 96 CA HYP A 15 -5.353 -0.543 -3.496 1.00 93.45 C +HETATM 97 C HYP A 15 -4.800 -1.061 -2.216 1.00 94.85 C +HETATM 98 O HYP A 15 -5.028 -0.457 -1.145 1.00 92.79 O +HETATM 99 CB HYP A 15 -4.438 0.572 -4.110 1.00 90.64 C +HETATM 100 CG HYP A 15 -5.399 1.531 -4.779 1.00 89.89 C +HETATM 101 CD HYP A 15 -6.566 1.565 -3.830 1.00 91.27 C +HETATM 102 OD1 HYP A 15 -5.795 1.034 -6.029 1.00 89.56 O +ATOM 103 N GLY A 16 -4.124 -2.155 -2.292 1.00 94.82 N +ATOM 104 CA GLY A 16 -3.479 -2.686 -1.126 1.00 94.29 C +ATOM 105 C GLY A 16 -2.354 -1.775 -0.669 1.00 94.52 C +ATOM 106 O GLY A 16 -2.013 -0.802 -1.341 1.00 94.28 O +ATOM 107 N PRO A 17 -1.776 -2.090 0.488 1.00 93.14 N +ATOM 108 CA PRO A 17 -0.685 -1.273 1.004 1.00 92.75 C +ATOM 109 C PRO A 17 0.565 -1.437 0.158 1.00 93.32 C +ATOM 110 O PRO A 17 0.708 -2.401 -0.588 1.00 91.91 O +ATOM 111 CB PRO A 17 -0.485 -1.804 2.419 1.00 91.23 C +ATOM 112 CG PRO A 17 -0.933 -3.222 2.330 1.00 89.58 C +ATOM 113 CD PRO A 17 -2.081 -3.211 1.365 1.00 91.45 C +HETATM 114 N HYP A 18 1.465 -0.459 0.275 1.00 89.25 N +HETATM 115 CA HYP A 18 2.715 -0.589 -0.382 1.00 89.89 C +HETATM 116 C HYP A 18 3.489 -1.807 0.060 1.00 90.47 C +HETATM 117 O HYP A 18 3.333 -2.274 1.203 1.00 89.01 O +HETATM 118 CB HYP A 18 3.437 0.708 0.073 1.00 87.87 C +HETATM 119 CG HYP A 18 2.317 1.692 0.334 1.00 86.33 C +HETATM 120 CD HYP A 18 1.266 0.806 0.953 1.00 90.25 C +HETATM 121 OD1 HYP A 18 1.836 2.211 -0.889 1.00 85.88 O +ATOM 122 N GLY A 19 4.254 -2.329 -0.824 1.00 90.23 N +ATOM 123 CA GLY A 19 5.085 -3.447 -0.495 1.00 89.68 C +ATOM 124 C GLY A 19 6.162 -3.056 0.498 1.00 89.51 C +ATOM 125 O GLY A 19 6.348 -1.882 0.803 1.00 90.35 O +ATOM 126 N PRO A 20 6.885 -4.045 1.003 1.00 87.90 N +ATOM 127 CA PRO A 20 7.947 -3.759 1.955 1.00 87.75 C +ATOM 128 C PRO A 20 9.112 -3.056 1.285 1.00 87.14 C +ATOM 129 O PRO A 20 9.277 -3.117 0.067 1.00 87.53 O +ATOM 130 CB PRO A 20 8.340 -5.140 2.467 1.00 85.51 C +ATOM 131 CG PRO A 20 8.005 -6.046 1.327 1.00 81.73 C +ATOM 132 CD PRO A 20 6.771 -5.457 0.709 1.00 84.37 C +HETATM 133 N HYP A 21 9.910 -2.378 2.091 1.00 87.88 N +HETATM 134 CA HYP A 21 11.095 -1.750 1.580 1.00 88.47 C +HETATM 135 C HYP A 21 12.042 -2.731 0.947 1.00 88.47 C +HETATM 136 O HYP A 21 12.130 -3.880 1.395 1.00 90.22 O +HETATM 137 CB HYP A 21 11.734 -1.117 2.829 1.00 86.19 C +HETATM 138 CG HYP A 21 10.598 -0.915 3.785 1.00 83.89 C +HETATM 139 CD HYP A 21 9.707 -2.114 3.526 1.00 89.11 C +HETATM 140 OD1 HYP A 21 9.899 0.266 3.418 1.00 82.68 O +ATOM 141 N GLY A 22 12.682 -2.333 -0.118 1.00 89.63 N +ATOM 142 CA GLY A 22 13.687 -3.147 -0.729 1.00 87.06 C +ATOM 143 C GLY A 22 14.918 -3.212 0.159 1.00 86.63 C +ATOM 144 O GLY A 22 14.991 -2.541 1.187 1.00 86.95 O +ATOM 145 N PRO A 23 15.916 -4.003 -0.217 1.00 90.32 N +ATOM 146 CA PRO A 23 17.128 -4.124 0.581 1.00 90.16 C +ATOM 147 C PRO A 23 18.007 -2.896 0.391 1.00 88.83 C +ATOM 148 O PRO A 23 18.715 -2.782 -0.599 1.00 85.64 O +ATOM 149 CB PRO A 23 17.780 -5.387 0.040 1.00 86.82 C +ATOM 150 CG PRO A 23 17.329 -5.440 -1.379 1.00 83.69 C +ATOM 151 CD PRO A 23 15.947 -4.836 -1.397 1.00 87.92 C +HETATM 152 N HYP A 24 17.905 -1.922 1.189 1.00 93.65 N +HETATM 153 CA HYP A 24 18.221 -0.462 0.957 1.00 90.53 C +HETATM 154 C HYP A 24 17.344 0.326 0.182 1.00 93.07 C +HETATM 155 O HYP A 24 17.834 1.223 -0.663 1.00 93.45 O +HETATM 156 CB HYP A 24 18.545 0.070 2.352 1.00 89.45 C +HETATM 157 CG HYP A 24 19.113 -1.135 3.055 1.00 87.83 C +HETATM 158 CD HYP A 24 18.378 -2.339 2.436 1.00 91.02 C +HETATM 159 OD1 HYP A 24 18.981 -1.093 4.447 1.00 89.49 O +HETATM 160 OXT HYP A 24 16.512 1.231 0.719 1.00 88.23 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_605.txt b/protein_pdb_605.txt new file mode 100644 index 0000000000000000000000000000000000000000..34a022ee0b298ccdc75c65c5941244403d31b960 --- /dev/null +++ b/protein_pdb_605.txt @@ -0,0 +1,175 @@ +ATOM 1 N GLY A 1 6.013 20.467 -39.170 1.00 91.74 N +ATOM 2 CA GLY A 1 4.624 20.044 -38.977 1.00 92.83 C +ATOM 3 C GLY A 1 4.185 20.184 -37.534 1.00 93.40 C +ATOM 4 O GLY A 1 5.024 20.398 -36.657 1.00 91.60 O +ATOM 5 N PRO A 2 2.898 20.077 -37.262 1.00 96.79 N +ATOM 6 CA PRO A 2 2.404 20.200 -35.889 1.00 97.02 C +ATOM 7 C PRO A 2 2.854 19.021 -35.019 1.00 97.48 C +ATOM 8 O PRO A 2 3.151 17.935 -35.520 1.00 96.55 O +ATOM 9 CB PRO A 2 0.881 20.218 -36.063 1.00 95.01 C +ATOM 10 CG PRO A 2 0.664 19.423 -37.301 1.00 91.81 C +ATOM 11 CD PRO A 2 1.808 19.824 -38.207 1.00 93.72 C +ATOM 12 N ALA A 3 2.893 19.269 -33.712 1.00 96.95 N +ATOM 13 CA ALA A 3 3.292 18.227 -32.777 1.00 97.21 C +ATOM 14 C ALA A 3 2.245 17.116 -32.752 1.00 97.49 C +ATOM 15 O ALA A 3 1.046 17.361 -32.939 1.00 95.89 O +ATOM 16 CB ALA A 3 3.467 18.809 -31.378 1.00 95.62 C +ATOM 17 N GLY A 4 2.694 15.896 -32.527 1.00 97.86 N +ATOM 18 CA GLY A 4 1.787 14.769 -32.463 1.00 97.66 C +ATOM 19 C GLY A 4 0.956 14.784 -31.182 1.00 98.03 C +ATOM 20 O GLY A 4 1.226 15.565 -30.266 1.00 98.04 O +ATOM 21 N PRO A 5 -0.045 13.918 -31.096 1.00 97.98 N +ATOM 22 CA PRO A 5 -0.902 13.863 -29.903 1.00 97.84 C +ATOM 23 C PRO A 5 -0.148 13.286 -28.711 1.00 98.19 C +ATOM 24 O PRO A 5 0.858 12.591 -28.857 1.00 97.85 O +ATOM 25 CB PRO A 5 -2.054 12.953 -30.336 1.00 96.81 C +ATOM 26 CG PRO A 5 -1.415 12.039 -31.326 1.00 94.93 C +ATOM 27 CD PRO A 5 -0.470 12.937 -32.107 1.00 96.93 C +ATOM 28 N ALA A 6 -0.664 13.577 -27.511 1.00 97.99 N +ATOM 29 CA ALA A 6 -0.060 13.055 -26.294 1.00 97.91 C +ATOM 30 C ALA A 6 -0.243 11.537 -26.234 1.00 98.18 C +ATOM 31 O ALA A 6 -1.211 10.997 -26.771 1.00 97.40 O +ATOM 32 CB ALA A 6 -0.703 13.712 -25.068 1.00 96.82 C +ATOM 33 N GLY A 7 0.698 10.865 -25.593 1.00 98.28 N +ATOM 34 CA GLY A 7 0.615 9.420 -25.473 1.00 98.17 C +ATOM 35 C GLY A 7 -0.479 8.992 -24.511 1.00 98.34 C +ATOM 36 O GLY A 7 -1.065 9.822 -23.809 1.00 98.34 O +ATOM 37 N PRO A 8 -0.750 7.690 -24.447 1.00 98.46 N +ATOM 38 CA PRO A 8 -1.790 7.185 -23.559 1.00 98.41 C +ATOM 39 C PRO A 8 -1.387 7.295 -22.092 1.00 98.50 C +ATOM 40 O PRO A 8 -0.203 7.409 -21.763 1.00 98.21 O +ATOM 41 CB PRO A 8 -1.949 5.725 -23.987 1.00 97.78 C +ATOM 42 CG PRO A 8 -0.585 5.369 -24.476 1.00 96.14 C +ATOM 43 CD PRO A 8 -0.118 6.608 -25.210 1.00 97.78 C +ATOM 44 N VAL A 9 -2.391 7.255 -21.216 1.00 98.30 N +ATOM 45 CA VAL A 9 -2.146 7.301 -19.777 1.00 98.13 C +ATOM 46 C VAL A 9 -1.436 6.011 -19.362 1.00 98.22 C +ATOM 47 O VAL A 9 -1.778 4.925 -19.839 1.00 97.81 O +ATOM 48 CB VAL A 9 -3.463 7.463 -18.999 1.00 97.40 C +ATOM 49 CG1 VAL A 9 -3.210 7.463 -17.500 1.00 92.25 C +ATOM 50 CG2 VAL A 9 -4.148 8.763 -19.410 1.00 92.37 C +ATOM 51 N GLY A 10 -0.458 6.135 -18.477 1.00 98.27 N +ATOM 52 CA GLY A 10 0.275 4.971 -18.017 1.00 98.11 C +ATOM 53 C GLY A 10 -0.568 4.063 -17.139 1.00 98.31 C +ATOM 54 O GLY A 10 -1.665 4.427 -16.716 1.00 98.34 O +ATOM 55 N PRO A 11 -0.042 2.872 -16.822 1.00 98.36 N +ATOM 56 CA PRO A 11 -0.779 1.923 -15.981 1.00 98.32 C +ATOM 57 C PRO A 11 -0.888 2.412 -14.542 1.00 98.48 C +ATOM 58 O PRO A 11 -0.102 3.250 -14.093 1.00 97.99 O +ATOM 59 CB PRO A 11 0.058 0.645 -16.076 1.00 97.66 C +ATOM 60 CG PRO A 11 1.445 1.158 -16.294 1.00 96.47 C +ATOM 61 CD PRO A 11 1.260 2.337 -17.226 1.00 97.80 C +ATOM 62 N ALA A 12 -1.875 1.881 -13.830 1.00 98.26 N +ATOM 63 CA ALA A 12 -2.063 2.242 -12.432 1.00 98.13 C +ATOM 64 C ALA A 12 -0.881 1.761 -11.604 1.00 98.29 C +ATOM 65 O ALA A 12 -0.246 0.752 -11.928 1.00 97.14 O +ATOM 66 CB ALA A 12 -3.362 1.634 -11.898 1.00 97.10 C +ATOM 67 N GLY A 13 -0.585 2.488 -10.529 1.00 97.65 N +ATOM 68 CA GLY A 13 0.517 2.112 -9.663 1.00 97.54 C +ATOM 69 C GLY A 13 0.223 0.824 -8.905 1.00 97.85 C +ATOM 70 O GLY A 13 -0.931 0.414 -8.762 1.00 97.62 O +ATOM 71 N ALA A 14 1.282 0.187 -8.421 1.00 98.00 N +ATOM 72 CA ALA A 14 1.141 -1.053 -7.664 1.00 98.02 C +ATOM 73 C ALA A 14 0.486 -0.786 -6.314 1.00 98.19 C +ATOM 74 O ALA A 14 0.588 0.301 -5.756 1.00 97.21 O +ATOM 75 CB ALA A 14 2.508 -1.697 -7.460 1.00 97.21 C +ATOM 76 N ARG A 15 -0.182 -1.805 -5.780 1.00 98.06 N +ATOM 77 CA ARG A 15 -0.815 -1.688 -4.470 1.00 97.97 C +ATOM 78 C ARG A 15 0.261 -1.517 -3.410 1.00 97.84 C +ATOM 79 O ARG A 15 1.329 -2.139 -3.489 1.00 96.94 O +ATOM 80 CB ARG A 15 -1.665 -2.931 -4.184 1.00 96.66 C +ATOM 81 CG ARG A 15 -2.402 -2.876 -2.857 1.00 92.59 C +ATOM 82 CD ARG A 15 -3.223 -4.118 -2.636 1.00 89.09 C +ATOM 83 NE ARG A 15 -3.967 -4.073 -1.375 1.00 83.67 N +ATOM 84 CZ ARG A 15 -4.757 -5.033 -0.936 1.00 80.09 C +ATOM 85 NH1 ARG A 15 -4.922 -6.142 -1.641 1.00 76.91 N +ATOM 86 NH2 ARG A 15 -5.385 -4.897 0.210 1.00 75.58 N +ATOM 87 N GLY A 16 -0.018 -0.683 -2.431 1.00 97.92 N +ATOM 88 CA GLY A 16 0.945 -0.450 -1.368 1.00 97.51 C +ATOM 89 C GLY A 16 1.169 -1.690 -0.517 1.00 97.73 C +ATOM 90 O GLY A 16 0.353 -2.617 -0.525 1.00 97.53 O +ATOM 91 N PRO A 17 2.268 -1.717 0.245 1.00 97.99 N +ATOM 92 CA PRO A 17 2.574 -2.865 1.093 1.00 97.81 C +ATOM 93 C PRO A 17 1.635 -2.958 2.290 1.00 98.09 C +ATOM 94 O PRO A 17 1.000 -1.977 2.680 1.00 97.69 O +ATOM 95 CB PRO A 17 4.017 -2.608 1.533 1.00 96.70 C +ATOM 96 CG PRO A 17 4.100 -1.117 1.562 1.00 95.14 C +ATOM 97 CD PRO A 17 3.307 -0.683 0.350 1.00 96.89 C +ATOM 98 N ALA A 18 1.553 -4.150 2.860 1.00 97.78 N +ATOM 99 CA ALA A 18 0.739 -4.351 4.047 1.00 97.73 C +ATOM 100 C ALA A 18 1.327 -3.567 5.213 1.00 98.06 C +ATOM 101 O ALA A 18 2.536 -3.351 5.271 1.00 97.28 O +ATOM 102 CB ALA A 18 0.655 -5.838 4.397 1.00 96.29 C +ATOM 103 N GLY A 19 0.469 -3.156 6.136 1.00 98.09 N +ATOM 104 CA GLY A 19 0.929 -2.415 7.294 1.00 98.07 C +ATOM 105 C GLY A 19 1.731 -3.287 8.244 1.00 98.24 C +ATOM 106 O GLY A 19 1.740 -4.514 8.114 1.00 98.13 O +ATOM 107 N PRO A 20 2.408 -2.664 9.212 1.00 97.52 N +ATOM 108 CA PRO A 20 3.229 -3.407 10.165 1.00 97.59 C +ATOM 109 C PRO A 20 2.381 -4.223 11.134 1.00 97.80 C +ATOM 110 O PRO A 20 1.205 -3.951 11.316 1.00 97.63 O +ATOM 111 CB PRO A 20 4.007 -2.306 10.886 1.00 96.57 C +ATOM 112 CG PRO A 20 3.080 -1.139 10.820 1.00 94.98 C +ATOM 113 CD PRO A 20 2.468 -1.226 9.442 1.00 96.51 C +HETATM 114 N HYP A 21 3.002 -5.188 11.792 1.00 98.08 N +HETATM 115 CA HYP A 21 2.350 -6.019 12.766 1.00 97.75 C +HETATM 116 C HYP A 21 1.889 -5.176 13.956 1.00 98.17 C +HETATM 117 O HYP A 21 2.508 -4.160 14.278 1.00 97.41 O +HETATM 118 CB HYP A 21 3.483 -6.983 13.196 1.00 96.65 C +HETATM 119 CG HYP A 21 4.411 -7.043 12.007 1.00 95.46 C +HETATM 120 CD HYP A 21 4.362 -5.659 11.484 1.00 96.80 C +HETATM 121 OD1 HYP A 21 3.955 -7.943 11.049 1.00 95.46 O +ATOM 122 N GLY A 22 0.786 -5.573 14.547 1.00 97.99 N +ATOM 123 CA GLY A 22 0.287 -4.848 15.688 1.00 97.81 C +ATOM 124 C GLY A 22 1.245 -4.947 16.862 1.00 98.03 C +ATOM 125 O GLY A 22 2.117 -5.819 16.905 1.00 97.73 O +ATOM 126 N ALA A 23 1.061 -4.050 17.826 1.00 96.50 N +ATOM 127 CA ALA A 23 1.903 -4.027 19.010 1.00 96.25 C +ATOM 128 C ALA A 23 1.702 -5.290 19.840 1.00 96.59 C +ATOM 129 O ALA A 23 0.607 -5.851 19.869 1.00 95.34 O +ATOM 130 CB ALA A 23 1.593 -2.795 19.839 1.00 94.40 C +HETATM 131 N HYP A 24 2.742 -5.729 20.578 1.00 97.07 N +HETATM 132 CA HYP A 24 2.629 -6.876 21.435 1.00 96.27 C +HETATM 133 C HYP A 24 1.621 -6.637 22.562 1.00 96.77 C +HETATM 134 O HYP A 24 1.467 -5.516 23.030 1.00 95.68 O +HETATM 135 CB HYP A 24 4.073 -6.978 22.089 1.00 93.34 C +HETATM 136 CG HYP A 24 5.004 -6.309 21.110 1.00 92.41 C +HETATM 137 CD HYP A 24 4.152 -5.235 20.517 1.00 94.32 C +HETATM 138 OD1 HYP A 24 5.391 -7.191 20.094 1.00 90.93 O +ATOM 139 N GLY A 25 0.905 -7.691 22.922 1.00 94.27 N +ATOM 140 CA GLY A 25 -0.066 -7.577 23.982 1.00 94.12 C +ATOM 141 C GLY A 25 0.613 -7.296 25.309 1.00 94.74 C +ATOM 142 O GLY A 25 1.807 -7.559 25.484 1.00 93.77 O +ATOM 143 N ALA A 26 -0.165 -6.801 26.258 1.00 92.90 N +ATOM 144 CA ALA A 26 0.366 -6.489 27.581 1.00 92.56 C +ATOM 145 C ALA A 26 0.720 -7.764 28.330 1.00 93.08 C +ATOM 146 O ALA A 26 0.075 -8.793 28.160 1.00 90.74 O +ATOM 147 CB ALA A 26 -0.655 -5.681 28.365 1.00 89.60 C +HETATM 148 N HYP A 27 1.749 -7.736 29.242 1.00 95.08 N +HETATM 149 CA HYP A 27 2.090 -8.888 30.002 1.00 92.95 C +HETATM 150 C HYP A 27 0.988 -9.264 30.985 1.00 94.85 C +HETATM 151 O HYP A 27 0.262 -8.426 31.444 1.00 93.57 O +HETATM 152 CB HYP A 27 3.326 -8.364 30.878 1.00 91.41 C +HETATM 153 CG HYP A 27 3.932 -7.202 30.100 1.00 90.16 C +HETATM 154 CD HYP A 27 2.729 -6.608 29.421 1.00 91.83 C +HETATM 155 OD1 HYP A 27 4.814 -7.691 29.107 1.00 88.43 O +ATOM 156 N GLY A 28 0.869 -10.567 31.229 1.00 90.15 N +ATOM 157 CA GLY A 28 -0.141 -11.032 32.152 1.00 89.71 C +ATOM 158 C GLY A 28 0.147 -10.549 33.557 1.00 89.72 C +ATOM 159 O GLY A 28 1.288 -10.221 33.894 1.00 87.32 O +ATOM 160 N ALA A 29 -0.872 -10.533 34.407 1.00 90.50 N +ATOM 161 CA ALA A 29 -0.717 -10.087 35.782 1.00 91.07 C +ATOM 162 C ALA A 29 0.126 -11.085 36.558 1.00 90.57 C +ATOM 163 O ALA A 29 0.075 -12.281 36.303 1.00 85.54 O +ATOM 164 CB ALA A 29 -2.074 -9.928 36.431 1.00 86.61 C +HETATM 165 N HYP A 30 0.887 -10.602 37.601 1.00 92.67 N +HETATM 166 CA HYP A 30 1.635 -11.609 38.317 1.00 89.02 C +HETATM 167 C HYP A 30 0.711 -12.552 39.103 1.00 88.31 C +HETATM 168 O HYP A 30 -0.155 -12.082 39.843 1.00 85.93 O +HETATM 169 CB HYP A 30 2.501 -10.776 39.365 1.00 86.16 C +HETATM 170 CG HYP A 30 2.555 -9.345 38.853 1.00 83.56 C +HETATM 171 CD HYP A 30 1.295 -9.220 37.989 1.00 88.51 C +HETATM 172 OD1 HYP A 30 3.679 -9.224 38.045 1.00 79.59 O +HETATM 173 OXT HYP A 30 0.877 -13.757 38.829 1.00 86.98 O +TER 174 HYP A 30 +END diff --git a/protein_pdb_606.txt b/protein_pdb_606.txt new file mode 100644 index 0000000000000000000000000000000000000000..0b11592013ca3af73f985ee554a6beec3f460a4d --- /dev/null +++ b/protein_pdb_606.txt @@ -0,0 +1,166 @@ +ATOM 1 N GLY A 1 -21.727 21.141 -15.236 1.00 87.20 N +ATOM 2 CA GLY A 1 -20.579 20.821 -16.071 1.00 89.12 C +ATOM 3 C GLY A 1 -20.308 19.333 -16.098 1.00 89.81 C +ATOM 4 O GLY A 1 -20.939 18.566 -15.362 1.00 85.84 O +ATOM 5 N PRO A 2 -19.377 18.876 -16.920 1.00 94.30 N +ATOM 6 CA PRO A 2 -19.057 17.452 -16.992 1.00 95.05 C +ATOM 7 C PRO A 2 -18.337 16.988 -15.731 1.00 95.33 C +ATOM 8 O PRO A 2 -17.759 17.777 -15.002 1.00 93.27 O +ATOM 9 CB PRO A 2 -18.142 17.349 -18.220 1.00 92.95 C +ATOM 10 CG PRO A 2 -17.510 18.688 -18.303 1.00 89.47 C +ATOM 11 CD PRO A 2 -18.544 19.671 -17.822 1.00 91.50 C +HETATM 12 N HYP A 3 -18.436 15.743 -15.478 1.00 95.87 N +HETATM 13 CA HYP A 3 -17.677 15.099 -14.383 1.00 93.77 C +HETATM 14 C HYP A 3 -16.190 15.341 -14.482 1.00 96.47 C +HETATM 15 O HYP A 3 -15.629 15.388 -15.591 1.00 93.43 O +HETATM 16 CB HYP A 3 -18.022 13.638 -14.521 1.00 94.82 C +HETATM 17 CG HYP A 3 -19.326 13.616 -15.259 1.00 93.73 C +HETATM 18 CD HYP A 3 -19.202 14.793 -16.212 1.00 95.14 C +HETATM 19 OD1 HYP A 3 -20.403 13.803 -14.402 1.00 91.69 O +ATOM 20 N GLY A 4 -15.534 15.486 -13.331 1.00 94.84 N +ATOM 21 CA GLY A 4 -14.109 15.669 -13.314 1.00 94.06 C +ATOM 22 C GLY A 4 -13.386 14.384 -13.690 1.00 94.23 C +ATOM 23 O GLY A 4 -14.002 13.321 -13.811 1.00 93.25 O +ATOM 24 N PRO A 5 -12.066 14.464 -13.872 1.00 96.42 N +ATOM 25 CA PRO A 5 -11.293 13.278 -14.232 1.00 96.36 C +ATOM 26 C PRO A 5 -11.191 12.312 -13.055 1.00 96.43 C +ATOM 27 O PRO A 5 -11.361 12.701 -11.902 1.00 95.58 O +ATOM 28 CB PRO A 5 -9.930 13.836 -14.617 1.00 94.94 C +ATOM 29 CG PRO A 5 -9.824 15.084 -13.812 1.00 93.12 C +ATOM 30 CD PRO A 5 -11.220 15.641 -13.737 1.00 94.77 C +HETATM 31 N HYP A 6 -10.938 11.072 -13.343 1.00 96.16 N +HETATM 32 CA HYP A 6 -10.634 10.086 -12.304 1.00 95.08 C +HETATM 33 C HYP A 6 -9.476 10.453 -11.436 1.00 95.88 C +HETATM 34 O HYP A 6 -8.516 11.085 -11.894 1.00 92.83 O +HETATM 35 CB HYP A 6 -10.351 8.805 -13.092 1.00 93.06 C +HETATM 36 CG HYP A 6 -11.116 8.994 -14.366 1.00 91.72 C +HETATM 37 CD HYP A 6 -10.962 10.453 -14.609 1.00 94.33 C +HETATM 38 OD1 HYP A 6 -12.472 8.645 -14.192 1.00 89.73 O +ATOM 39 N GLY A 7 -9.555 10.125 -10.147 1.00 94.83 N +ATOM 40 CA GLY A 7 -8.483 10.415 -9.226 1.00 94.18 C +ATOM 41 C GLY A 7 -7.250 9.588 -9.540 1.00 94.64 C +ATOM 42 O GLY A 7 -7.283 8.681 -10.375 1.00 93.84 O +ATOM 43 N PRO A 8 -6.145 9.899 -8.854 1.00 96.43 N +ATOM 44 CA PRO A 8 -4.909 9.154 -9.081 1.00 96.26 C +ATOM 45 C PRO A 8 -5.012 7.734 -8.536 1.00 96.33 C +ATOM 46 O PRO A 8 -5.871 7.433 -7.712 1.00 95.48 O +ATOM 47 CB PRO A 8 -3.867 9.971 -8.324 1.00 95.18 C +ATOM 48 CG PRO A 8 -4.647 10.625 -7.242 1.00 94.03 C +ATOM 49 CD PRO A 8 -5.999 10.921 -7.840 1.00 95.31 C +HETATM 50 N HYP A 9 -4.146 6.875 -8.980 1.00 94.99 N +HETATM 51 CA HYP A 9 -4.053 5.509 -8.472 1.00 93.67 C +HETATM 52 C HYP A 9 -3.784 5.460 -7.028 1.00 95.57 C +HETATM 53 O HYP A 9 -3.122 6.337 -6.449 1.00 89.24 O +HETATM 54 CB HYP A 9 -2.854 4.913 -9.290 1.00 91.34 C +HETATM 55 CG HYP A 9 -2.874 5.705 -10.552 1.00 89.79 C +HETATM 56 CD HYP A 9 -3.260 7.082 -10.087 1.00 93.41 C +HETATM 57 OD1 HYP A 9 -3.868 5.212 -11.447 1.00 87.40 O +ATOM 58 N GLY A 10 -4.320 4.457 -6.318 1.00 94.34 N +ATOM 59 CA GLY A 10 -4.086 4.285 -4.902 1.00 93.07 C +ATOM 60 C GLY A 10 -2.626 3.955 -4.612 1.00 93.24 C +ATOM 61 O GLY A 10 -1.831 3.683 -5.511 1.00 92.08 O +ATOM 62 N TYR A 11 -2.290 3.980 -3.318 1.00 90.73 N +ATOM 63 CA TYR A 11 -0.936 3.650 -2.901 1.00 89.66 C +ATOM 64 C TYR A 11 -0.652 2.165 -3.083 1.00 89.71 C +ATOM 65 O TYR A 11 -1.566 1.338 -3.121 1.00 87.89 O +ATOM 66 CB TYR A 11 -0.736 4.012 -1.431 1.00 87.76 C +ATOM 67 CG TYR A 11 -0.870 5.490 -1.122 1.00 84.14 C +ATOM 68 CD1 TYR A 11 -0.166 6.432 -1.853 1.00 82.44 C +ATOM 69 CD2 TYR A 11 -1.685 5.931 -0.092 1.00 79.75 C +ATOM 70 CE1 TYR A 11 -0.279 7.786 -1.564 1.00 77.11 C +ATOM 71 CE2 TYR A 11 -1.795 7.278 0.205 1.00 76.95 C +ATOM 72 CZ TYR A 11 -1.092 8.206 -0.531 1.00 78.30 C +ATOM 73 OH TYR A 11 -1.200 9.543 -0.245 1.00 79.30 O +ATOM 74 N TRP A 12 0.628 1.825 -3.170 1.00 90.80 N +ATOM 75 CA TRP A 12 1.055 0.427 -3.201 1.00 90.02 C +ATOM 76 C TRP A 12 0.618 -0.256 -1.907 1.00 90.11 C +ATOM 77 O TRP A 12 0.580 0.373 -0.845 1.00 87.34 O +ATOM 78 CB TRP A 12 2.580 0.344 -3.325 1.00 87.07 C +ATOM 79 CG TRP A 12 3.107 0.585 -4.704 1.00 80.97 C +ATOM 80 CD1 TRP A 12 3.240 1.776 -5.330 1.00 78.69 C +ATOM 81 CD2 TRP A 12 3.596 -0.407 -5.623 1.00 77.38 C +ATOM 82 NE1 TRP A 12 3.776 1.602 -6.591 1.00 70.26 N +ATOM 83 CE2 TRP A 12 3.999 0.270 -6.790 1.00 72.89 C +ATOM 84 CE3 TRP A 12 3.727 -1.797 -5.561 1.00 69.00 C +ATOM 85 CZ2 TRP A 12 4.528 -0.404 -7.895 1.00 74.80 C +ATOM 86 CZ3 TRP A 12 4.252 -2.466 -6.652 1.00 71.60 C +ATOM 87 CH2 TRP A 12 4.645 -1.779 -7.801 1.00 69.26 C +ATOM 88 N GLY A 13 0.307 -1.524 -2.011 1.00 91.40 N +ATOM 89 CA GLY A 13 -0.041 -2.293 -0.834 1.00 89.74 C +ATOM 90 C GLY A 13 1.163 -2.496 0.074 1.00 90.14 C +ATOM 91 O GLY A 13 2.298 -2.185 -0.297 1.00 89.38 O +ATOM 92 N PRO A 14 0.936 -3.023 1.294 1.00 92.91 N +ATOM 93 CA PRO A 14 2.039 -3.224 2.228 1.00 92.78 C +ATOM 94 C PRO A 14 2.961 -4.341 1.759 1.00 93.10 C +ATOM 95 O PRO A 14 2.572 -5.203 0.976 1.00 91.68 O +ATOM 96 CB PRO A 14 1.337 -3.592 3.535 1.00 90.64 C +ATOM 97 CG PRO A 14 0.058 -4.206 3.092 1.00 89.99 C +ATOM 98 CD PRO A 14 -0.346 -3.444 1.853 1.00 91.31 C +HETATM 99 N HYP A 15 4.198 -4.322 2.246 1.00 93.87 N +HETATM 100 CA HYP A 15 5.156 -5.403 1.998 1.00 90.59 C +HETATM 101 C HYP A 15 4.648 -6.745 2.440 1.00 95.29 C +HETATM 102 O HYP A 15 3.886 -6.829 3.414 1.00 85.00 O +HETATM 103 CB HYP A 15 6.380 -4.947 2.765 1.00 89.76 C +HETATM 104 CG HYP A 15 6.241 -3.443 2.811 1.00 87.02 C +HETATM 105 CD HYP A 15 4.770 -3.235 2.960 1.00 90.79 C +HETATM 106 OD1 HYP A 15 6.686 -2.839 1.613 1.00 87.39 O +ATOM 107 N GLY A 16 5.019 -7.774 1.747 1.00 93.54 N +ATOM 108 CA GLY A 16 4.669 -9.107 2.159 1.00 92.28 C +ATOM 109 C GLY A 16 5.407 -9.490 3.432 1.00 92.32 C +ATOM 110 O GLY A 16 6.290 -8.768 3.898 1.00 91.96 O +ATOM 111 N PRO A 17 5.043 -10.650 4.009 1.00 94.92 N +ATOM 112 CA PRO A 17 5.706 -11.085 5.234 1.00 94.65 C +ATOM 113 C PRO A 17 7.151 -11.489 4.968 1.00 94.92 C +ATOM 114 O PRO A 17 7.518 -11.832 3.854 1.00 93.88 O +ATOM 115 CB PRO A 17 4.863 -12.267 5.692 1.00 93.07 C +ATOM 116 CG PRO A 17 4.275 -12.789 4.425 1.00 91.65 C +ATOM 117 CD PRO A 17 4.028 -11.586 3.562 1.00 92.77 C +HETATM 118 N HYP A 18 7.984 -11.457 5.984 1.00 94.06 N +HETATM 119 CA HYP A 18 9.341 -11.939 5.920 1.00 93.38 C +HETATM 120 C HYP A 18 9.447 -13.370 5.481 1.00 94.36 C +HETATM 121 O HYP A 18 8.544 -14.174 5.766 1.00 92.44 O +HETATM 122 CB HYP A 18 9.879 -11.703 7.304 1.00 93.06 C +HETATM 123 CG HYP A 18 9.022 -10.605 7.887 1.00 92.12 C +HETATM 124 CD HYP A 18 7.688 -10.858 7.254 1.00 93.61 C +HETATM 125 OD1 HYP A 18 9.506 -9.336 7.492 1.00 89.22 O +ATOM 126 N GLY A 19 10.475 -13.714 4.771 1.00 92.44 N +ATOM 127 CA GLY A 19 10.703 -15.081 4.396 1.00 91.37 C +ATOM 128 C GLY A 19 11.038 -15.920 5.617 1.00 91.94 C +ATOM 129 O GLY A 19 11.271 -15.399 6.708 1.00 91.82 O +ATOM 130 N PRO A 20 11.072 -17.249 5.449 1.00 94.24 N +ATOM 131 CA PRO A 20 11.388 -18.115 6.578 1.00 93.88 C +ATOM 132 C PRO A 20 12.850 -17.993 6.981 1.00 93.62 C +ATOM 133 O PRO A 20 13.689 -17.565 6.194 1.00 92.36 O +ATOM 134 CB PRO A 20 11.059 -19.512 6.043 1.00 91.98 C +ATOM 135 CG PRO A 20 11.238 -19.381 4.573 1.00 90.06 C +ATOM 136 CD PRO A 20 10.815 -17.987 4.219 1.00 92.31 C +HETATM 137 N HYP A 21 13.174 -18.383 8.209 1.00 96.05 N +HETATM 138 CA HYP A 21 14.529 -18.395 8.693 1.00 93.08 C +HETATM 139 C HYP A 21 15.438 -19.300 7.887 1.00 96.56 C +HETATM 140 O HYP A 21 14.975 -20.328 7.370 1.00 93.88 O +HETATM 141 CB HYP A 21 14.408 -18.892 10.139 1.00 94.25 C +HETATM 142 CG HYP A 21 12.996 -18.521 10.556 1.00 93.84 C +HETATM 143 CD HYP A 21 12.224 -18.680 9.271 1.00 95.15 C +HETATM 144 OD1 HYP A 21 12.926 -17.161 10.969 1.00 91.59 O +ATOM 145 N GLY A 22 16.685 -18.909 7.705 1.00 89.84 N +ATOM 146 CA GLY A 22 17.634 -19.729 7.003 1.00 88.37 C +ATOM 147 C GLY A 22 17.940 -20.992 7.794 1.00 88.82 C +ATOM 148 O GLY A 22 17.566 -21.123 8.961 1.00 87.90 O +ATOM 149 N PRO A 23 18.660 -21.960 7.194 1.00 92.71 N +ATOM 150 CA PRO A 23 18.986 -23.194 7.895 1.00 92.65 C +ATOM 151 C PRO A 23 20.018 -22.941 8.979 1.00 91.82 C +ATOM 152 O PRO A 23 20.795 -21.991 8.905 1.00 88.48 O +ATOM 153 CB PRO A 23 19.529 -24.103 6.793 1.00 89.63 C +ATOM 154 CG PRO A 23 20.076 -23.158 5.792 1.00 86.65 C +ATOM 155 CD PRO A 23 19.182 -21.947 5.829 1.00 90.92 C +HETATM 156 N HYP A 24 20.097 -23.815 9.997 1.00 93.98 N +HETATM 157 CA HYP A 24 21.155 -23.617 10.981 1.00 89.50 C +HETATM 158 C HYP A 24 22.443 -24.023 10.330 1.00 92.48 C +HETATM 159 O HYP A 24 23.240 -23.140 10.153 1.00 89.53 O +HETATM 160 CB HYP A 24 20.823 -24.649 12.122 1.00 91.45 C +HETATM 161 CG HYP A 24 19.388 -25.007 11.967 1.00 90.32 C +HETATM 162 CD HYP A 24 19.087 -24.759 10.478 1.00 92.85 C +HETATM 163 OD1 HYP A 24 18.619 -24.070 12.734 1.00 86.88 O +HETATM 164 OXT HYP A 24 22.624 -25.236 9.967 1.00 87.49 O +TER 165 HYP A 24 +END diff --git a/protein_pdb_607.txt b/protein_pdb_607.txt new file mode 100644 index 0000000000000000000000000000000000000000..58610d28e9ac5e383d03a75eaadc5498da96d317 --- /dev/null +++ b/protein_pdb_607.txt @@ -0,0 +1,165 @@ +ATOM 1 N GLY A 1 15.315 -5.515 2.214 1.00 94.91 N +ATOM 2 CA GLY A 1 14.852 -4.801 1.077 1.00 95.02 C +ATOM 3 C GLY A 1 13.785 -3.772 1.402 1.00 95.34 C +ATOM 4 O GLY A 1 13.235 -3.757 2.498 1.00 94.15 O +ATOM 5 N PRO A 2 13.493 -2.956 0.467 1.00 94.83 N +ATOM 6 CA PRO A 2 12.483 -1.929 0.649 1.00 94.85 C +ATOM 7 C PRO A 2 11.086 -2.510 0.566 1.00 95.10 C +ATOM 8 O PRO A 2 10.894 -3.650 0.149 1.00 94.02 O +ATOM 9 CB PRO A 2 12.762 -0.977 -0.504 1.00 92.73 C +ATOM 10 CG PRO A 2 13.281 -1.873 -1.569 1.00 89.99 C +ATOM 11 CD PRO A 2 14.101 -2.907 -0.854 1.00 92.58 C +HETATM 12 N HYP A 3 10.145 -1.697 0.973 1.00 94.76 N +HETATM 13 CA HYP A 3 8.757 -2.120 0.849 1.00 93.57 C +HETATM 14 C HYP A 3 8.374 -2.366 -0.585 1.00 95.08 C +HETATM 15 O HYP A 3 8.946 -1.735 -1.494 1.00 95.31 O +HETATM 16 CB HYP A 3 8.010 -0.880 1.416 1.00 91.98 C +HETATM 17 CG HYP A 3 8.992 -0.260 2.376 1.00 90.73 C +HETATM 18 CD HYP A 3 10.331 -0.452 1.638 1.00 92.83 C +HETATM 19 OD1 HYP A 3 8.983 -0.987 3.557 1.00 91.53 O +ATOM 20 N GLY A 4 7.492 -3.305 -0.789 1.00 94.73 N +ATOM 21 CA GLY A 4 7.008 -3.584 -2.109 1.00 94.48 C +ATOM 22 C GLY A 4 6.159 -2.439 -2.636 1.00 94.84 C +ATOM 23 O GLY A 4 5.826 -1.500 -1.913 1.00 95.36 O +ATOM 24 N PRO A 5 5.800 -2.506 -3.909 1.00 94.80 N +ATOM 25 CA PRO A 5 4.993 -1.457 -4.503 1.00 94.89 C +ATOM 26 C PRO A 5 3.574 -1.485 -3.964 1.00 94.83 C +ATOM 27 O PRO A 5 3.112 -2.490 -3.438 1.00 94.09 O +ATOM 28 CB PRO A 5 5.032 -1.781 -5.987 1.00 93.41 C +ATOM 29 CG PRO A 5 5.212 -3.261 -6.017 1.00 91.71 C +ATOM 30 CD PRO A 5 6.091 -3.576 -4.849 1.00 94.02 C +HETATM 31 N HYP A 6 2.914 -0.328 -4.103 1.00 94.67 N +HETATM 32 CA HYP A 6 1.510 -0.297 -3.747 1.00 95.98 C +HETATM 33 C HYP A 6 0.698 -1.267 -4.549 1.00 96.08 C +HETATM 34 O HYP A 6 1.060 -1.590 -5.695 1.00 95.08 O +HETATM 35 CB HYP A 6 1.135 1.164 -4.122 1.00 92.69 C +HETATM 36 CG HYP A 6 2.420 1.924 -3.996 1.00 92.13 C +HETATM 37 CD HYP A 6 3.426 0.934 -4.536 1.00 93.26 C +HETATM 38 OD1 HYP A 6 2.681 2.198 -2.650 1.00 91.90 O +ATOM 39 N GLY A 7 -0.338 -1.762 -3.946 1.00 95.23 N +ATOM 40 CA GLY A 7 -1.242 -2.623 -4.643 1.00 94.68 C +ATOM 41 C GLY A 7 -1.950 -1.872 -5.748 1.00 94.83 C +ATOM 42 O GLY A 7 -1.885 -0.649 -5.844 1.00 94.77 O +ATOM 43 N PRO A 8 -2.641 -2.603 -6.601 1.00 95.20 N +ATOM 44 CA PRO A 8 -3.350 -1.966 -7.699 1.00 94.89 C +ATOM 45 C PRO A 8 -4.544 -1.175 -7.195 1.00 94.73 C +ATOM 46 O PRO A 8 -5.065 -1.417 -6.111 1.00 93.92 O +ATOM 47 CB PRO A 8 -3.783 -3.132 -8.573 1.00 93.66 C +ATOM 48 CG PRO A 8 -3.860 -4.275 -7.636 1.00 92.54 C +ATOM 49 CD PRO A 8 -2.795 -4.048 -6.604 1.00 94.24 C +HETATM 50 N HYP A 9 -4.973 -0.211 -8.030 1.00 94.79 N +HETATM 51 CA HYP A 9 -6.131 0.532 -7.694 1.00 94.56 C +HETATM 52 C HYP A 9 -7.345 -0.326 -7.694 1.00 95.58 C +HETATM 53 O HYP A 9 -7.457 -1.281 -8.477 1.00 94.59 O +HETATM 54 CB HYP A 9 -6.238 1.541 -8.902 1.00 91.90 C +HETATM 55 CG HYP A 9 -4.877 1.658 -9.411 1.00 92.17 C +HETATM 56 CD HYP A 9 -4.291 0.310 -9.234 1.00 93.65 C +HETATM 57 OD1 HYP A 9 -4.189 2.591 -8.610 1.00 91.51 O +ATOM 58 N GLY A 10 -8.289 -0.103 -6.835 1.00 94.48 N +ATOM 59 CA GLY A 10 -9.578 -0.735 -6.916 1.00 92.76 C +ATOM 60 C GLY A 10 -10.374 -0.145 -8.061 1.00 92.74 C +ATOM 61 O GLY A 10 -9.944 0.794 -8.732 1.00 91.89 O +ATOM 62 N TRP A 11 -11.546 -0.693 -8.278 1.00 95.05 N +ATOM 63 CA TRP A 11 -12.405 -0.123 -9.309 1.00 94.65 C +ATOM 64 C TRP A 11 -12.752 1.318 -8.977 1.00 94.09 C +ATOM 65 O TRP A 11 -12.907 2.143 -9.866 1.00 93.35 O +ATOM 66 CB TRP A 11 -13.679 -0.941 -9.426 1.00 94.01 C +ATOM 67 CG TRP A 11 -13.458 -2.320 -9.934 1.00 89.96 C +ATOM 68 CD1 TRP A 11 -12.284 -2.936 -10.218 1.00 90.41 C +ATOM 69 CD2 TRP A 11 -14.475 -3.290 -10.240 1.00 90.43 C +ATOM 70 NE1 TRP A 11 -12.486 -4.201 -10.663 1.00 84.97 N +ATOM 71 CE2 TRP A 11 -13.828 -4.455 -10.695 1.00 88.43 C +ATOM 72 CE3 TRP A 11 -15.865 -3.272 -10.174 1.00 86.91 C +ATOM 73 CZ2 TRP A 11 -14.524 -5.591 -11.069 1.00 90.73 C +ATOM 74 CZ3 TRP A 11 -16.566 -4.404 -10.547 1.00 85.15 C +ATOM 75 CH2 TRP A 11 -15.902 -5.541 -10.990 1.00 84.36 C +ATOM 76 N PHE A 12 -12.860 1.590 -7.695 1.00 93.55 N +ATOM 77 CA PHE A 12 -13.014 2.941 -7.199 1.00 94.39 C +ATOM 78 C PHE A 12 -12.364 2.970 -5.827 1.00 95.09 C +ATOM 79 O PHE A 12 -12.924 2.473 -4.856 1.00 93.20 O +ATOM 80 CB PHE A 12 -14.482 3.331 -7.111 1.00 92.70 C +ATOM 81 CG PHE A 12 -14.670 4.728 -6.612 1.00 88.96 C +ATOM 82 CD1 PHE A 12 -14.493 5.805 -7.450 1.00 86.16 C +ATOM 83 CD2 PHE A 12 -15.003 4.978 -5.290 1.00 84.74 C +ATOM 84 CE1 PHE A 12 -14.641 7.102 -6.999 1.00 83.82 C +ATOM 85 CE2 PHE A 12 -15.152 6.270 -4.822 1.00 84.27 C +ATOM 86 CZ PHE A 12 -14.978 7.342 -5.681 1.00 84.61 C +ATOM 87 N GLY A 13 -11.181 3.523 -5.759 1.00 95.77 N +ATOM 88 CA GLY A 13 -10.492 3.542 -4.495 1.00 95.40 C +ATOM 89 C GLY A 13 -9.005 3.686 -4.707 1.00 95.83 C +ATOM 90 O GLY A 13 -8.509 3.585 -5.828 1.00 95.61 O +ATOM 91 N PRO A 14 -8.294 3.931 -3.619 1.00 96.44 N +ATOM 92 CA PRO A 14 -6.857 4.144 -3.695 1.00 96.38 C +ATOM 93 C PRO A 14 -6.106 2.851 -3.945 1.00 96.53 C +ATOM 94 O PRO A 14 -6.652 1.759 -3.847 1.00 96.06 O +ATOM 95 CB PRO A 14 -6.520 4.716 -2.324 1.00 95.45 C +ATOM 96 CG PRO A 14 -7.524 4.084 -1.428 1.00 94.04 C +ATOM 97 CD PRO A 14 -8.784 4.002 -2.250 1.00 95.44 C +HETATM 98 N HYP A 15 -4.854 3.030 -4.268 1.00 95.77 N +HETATM 99 CA HYP A 15 -3.976 1.882 -4.363 1.00 96.45 C +HETATM 100 C HYP A 15 -3.883 1.131 -3.083 1.00 96.78 C +HETATM 101 O HYP A 15 -4.110 1.725 -1.996 1.00 95.02 O +HETATM 102 CB HYP A 15 -2.634 2.590 -4.725 1.00 93.56 C +HETATM 103 CG HYP A 15 -3.064 3.851 -5.447 1.00 92.12 C +HETATM 104 CD HYP A 15 -4.268 4.293 -4.667 1.00 93.67 C +HETATM 105 OD1 HYP A 15 -3.399 3.559 -6.766 1.00 91.35 O +ATOM 106 N GLY A 16 -3.599 -0.111 -3.142 1.00 96.71 N +ATOM 107 CA GLY A 16 -3.372 -0.880 -1.956 1.00 96.48 C +ATOM 108 C GLY A 16 -2.132 -0.406 -1.228 1.00 96.53 C +ATOM 109 O GLY A 16 -1.361 0.410 -1.735 1.00 96.38 O +ATOM 110 N PRO A 17 -1.929 -0.927 -0.034 1.00 95.80 N +ATOM 111 CA PRO A 17 -0.761 -0.541 0.737 1.00 95.65 C +ATOM 112 C PRO A 17 0.506 -1.118 0.137 1.00 96.01 C +ATOM 113 O PRO A 17 0.466 -2.060 -0.645 1.00 95.34 O +ATOM 114 CB PRO A 17 -1.042 -1.119 2.119 1.00 94.47 C +ATOM 115 CG PRO A 17 -1.907 -2.292 1.839 1.00 92.72 C +ATOM 116 CD PRO A 17 -2.759 -1.898 0.669 1.00 94.62 C +HETATM 117 N HYP A 18 1.648 -0.501 0.518 1.00 92.37 N +HETATM 118 CA HYP A 18 2.875 -1.055 0.118 1.00 94.65 C +HETATM 119 C HYP A 18 3.069 -2.469 0.582 1.00 94.59 C +HETATM 120 O HYP A 18 2.529 -2.871 1.638 1.00 93.07 O +HETATM 121 CB HYP A 18 3.896 -0.099 0.779 1.00 90.94 C +HETATM 122 CG HYP A 18 3.155 1.210 0.914 1.00 90.44 C +HETATM 123 CD HYP A 18 1.759 0.742 1.246 1.00 93.08 C +HETATM 124 OD1 HYP A 18 3.159 1.877 -0.325 1.00 89.54 O +ATOM 125 N GLY A 19 3.767 -3.233 -0.174 1.00 94.14 N +ATOM 126 CA GLY A 19 4.101 -4.563 0.234 1.00 93.87 C +ATOM 127 C GLY A 19 5.048 -4.549 1.423 1.00 93.54 C +ATOM 128 O GLY A 19 5.557 -3.508 1.821 1.00 94.05 O +ATOM 129 N PRO A 20 5.270 -5.709 1.997 1.00 93.04 N +ATOM 130 CA PRO A 20 6.168 -5.794 3.137 1.00 92.89 C +ATOM 131 C PRO A 20 7.610 -5.575 2.721 1.00 92.43 C +ATOM 132 O PRO A 20 7.962 -5.694 1.553 1.00 92.28 O +ATOM 133 CB PRO A 20 5.946 -7.209 3.655 1.00 90.94 C +ATOM 134 CG PRO A 20 5.527 -7.963 2.442 1.00 88.51 C +ATOM 135 CD PRO A 20 4.731 -7.002 1.618 1.00 91.17 C +HETATM 136 N HYP A 21 8.436 -5.222 3.712 1.00 92.16 N +HETATM 137 CA HYP A 21 9.833 -5.100 3.444 1.00 92.39 C +HETATM 138 C HYP A 21 10.450 -6.361 2.922 1.00 92.05 C +HETATM 139 O HYP A 21 10.034 -7.455 3.299 1.00 93.64 O +HETATM 140 CB HYP A 21 10.452 -4.718 4.799 1.00 89.18 C +HETATM 141 CG HYP A 21 9.336 -4.059 5.557 1.00 89.68 C +HETATM 142 CD HYP A 21 8.115 -4.829 5.095 1.00 91.79 C +HETATM 143 OD1 HYP A 21 9.229 -2.711 5.107 1.00 88.74 O +ATOM 144 N GLY A 22 11.355 -6.238 2.003 1.00 93.51 N +ATOM 145 CA GLY A 22 12.099 -7.372 1.537 1.00 92.09 C +ATOM 146 C GLY A 22 13.047 -7.862 2.621 1.00 91.54 C +ATOM 147 O GLY A 22 13.188 -7.240 3.675 1.00 91.65 O +ATOM 148 N PRO A 23 13.722 -8.975 2.392 1.00 94.03 N +ATOM 149 CA PRO A 23 14.648 -9.515 3.378 1.00 93.28 C +ATOM 150 C PRO A 23 15.936 -8.711 3.377 1.00 91.50 C +ATOM 151 O PRO A 23 16.756 -8.847 2.474 1.00 88.30 O +ATOM 152 CB PRO A 23 14.864 -10.950 2.914 1.00 90.58 C +ATOM 153 CG PRO A 23 14.647 -10.881 1.446 1.00 88.06 C +ATOM 154 CD PRO A 23 13.618 -9.808 1.210 1.00 92.53 C +HETATM 155 N HYP A 24 16.088 -7.789 4.198 1.00 95.29 N +HETATM 156 CA HYP A 24 16.919 -6.561 4.111 1.00 92.50 C +HETATM 157 C HYP A 24 16.611 -5.544 3.193 1.00 95.18 C +HETATM 158 O HYP A 24 17.508 -4.991 2.468 1.00 94.24 O +HETATM 159 CB HYP A 24 17.191 -6.171 5.552 1.00 90.54 C +HETATM 160 CG HYP A 24 17.214 -7.508 6.255 1.00 90.69 C +HETATM 161 CD HYP A 24 16.223 -8.393 5.454 1.00 93.21 C +HETATM 162 OD1 HYP A 24 16.855 -7.405 7.597 1.00 91.17 O +HETATM 163 OXT HYP A 24 16.463 -4.298 3.481 1.00 88.22 O +TER 164 HYP A 24 +END diff --git a/protein_pdb_608.txt b/protein_pdb_608.txt new file mode 100644 index 0000000000000000000000000000000000000000..b213d29d20ec143e47562a513b045531923d8220 --- /dev/null +++ b/protein_pdb_608.txt @@ -0,0 +1,165 @@ +ATOM 1 N GLY A 1 14.863 3.117 3.232 1.00 92.21 N +ATOM 2 CA GLY A 1 14.047 3.562 2.157 1.00 92.72 C +ATOM 3 C GLY A 1 12.733 4.169 2.607 1.00 92.94 C +ATOM 4 O GLY A 1 12.332 4.025 3.757 1.00 91.27 O +ATOM 5 N PRO A 2 12.061 4.823 1.719 1.00 93.13 N +ATOM 6 CA PRO A 2 10.780 5.433 2.040 1.00 92.75 C +ATOM 7 C PRO A 2 9.684 4.391 2.118 1.00 92.50 C +ATOM 8 O PRO A 2 9.861 3.249 1.714 1.00 90.99 O +ATOM 9 CB PRO A 2 10.563 6.389 0.867 1.00 89.51 C +ATOM 10 CG PRO A 2 11.250 5.709 -0.259 1.00 86.22 C +ATOM 11 CD PRO A 2 12.471 5.069 0.345 1.00 89.67 C +HETATM 12 N HYP A 3 8.541 4.823 2.667 1.00 91.46 N +HETATM 13 CA HYP A 3 7.405 3.912 2.725 1.00 90.37 C +HETATM 14 C HYP A 3 6.970 3.450 1.345 1.00 92.08 C +HETATM 15 O HYP A 3 7.094 4.230 0.370 1.00 93.28 O +HETATM 16 CB HYP A 3 6.272 4.852 3.310 1.00 90.89 C +HETATM 17 CG HYP A 3 7.020 5.888 4.107 1.00 89.22 C +HETATM 18 CD HYP A 3 8.314 6.103 3.241 1.00 91.36 C +HETATM 19 OD1 HYP A 3 7.378 5.341 5.334 1.00 89.94 O +ATOM 20 N GLY A 4 6.574 2.211 1.257 1.00 93.53 N +ATOM 21 CA GLY A 4 6.122 1.678 -0.002 1.00 92.88 C +ATOM 22 C GLY A 4 4.805 2.304 -0.423 1.00 93.64 C +ATOM 23 O GLY A 4 4.134 2.967 0.366 1.00 93.83 O +ATOM 24 N PRO A 5 4.407 2.093 -1.681 1.00 93.80 N +ATOM 25 CA PRO A 5 3.150 2.641 -2.168 1.00 93.59 C +ATOM 26 C PRO A 5 1.964 1.930 -1.544 1.00 93.33 C +ATOM 27 O PRO A 5 2.094 0.838 -1.007 1.00 92.45 O +ATOM 28 CB PRO A 5 3.219 2.398 -3.675 1.00 91.77 C +ATOM 29 CG PRO A 5 4.067 1.184 -3.789 1.00 89.69 C +ATOM 30 CD PRO A 5 5.093 1.322 -2.698 1.00 92.58 C +HETATM 31 N HYP A 6 0.795 2.596 -1.605 1.00 93.97 N +HETATM 32 CA HYP A 6 -0.421 1.949 -1.129 1.00 94.88 C +HETATM 33 C HYP A 6 -0.686 0.668 -1.860 1.00 94.38 C +HETATM 34 O HYP A 6 -0.352 0.540 -3.073 1.00 92.80 O +HETATM 35 CB HYP A 6 -1.510 3.003 -1.487 1.00 91.07 C +HETATM 36 CG HYP A 6 -0.776 4.319 -1.525 1.00 90.51 C +HETATM 37 CD HYP A 6 0.579 3.927 -2.100 1.00 92.20 C +HETATM 38 OD1 HYP A 6 -0.606 4.802 -0.218 1.00 89.52 O +ATOM 39 N GLY A 7 -1.193 -0.318 -1.167 1.00 93.63 N +ATOM 40 CA GLY A 7 -1.507 -1.583 -1.767 1.00 92.68 C +ATOM 41 C GLY A 7 -2.571 -1.439 -2.836 1.00 93.13 C +ATOM 42 O GLY A 7 -3.265 -0.427 -2.910 1.00 93.17 O +ATOM 43 N PRO A 8 -2.718 -2.463 -3.674 1.00 94.10 N +ATOM 44 CA PRO A 8 -3.719 -2.407 -4.728 1.00 93.89 C +ATOM 45 C PRO A 8 -5.123 -2.502 -4.161 1.00 93.93 C +ATOM 46 O PRO A 8 -5.335 -3.006 -3.067 1.00 92.38 O +ATOM 47 CB PRO A 8 -3.385 -3.614 -5.600 1.00 91.95 C +ATOM 48 CG PRO A 8 -2.766 -4.566 -4.648 1.00 90.83 C +ATOM 49 CD PRO A 8 -1.980 -3.706 -3.682 1.00 92.80 C +HETATM 50 N HYP A 9 -6.087 -2.020 -4.935 1.00 92.49 N +HETATM 51 CA HYP A 9 -7.458 -2.086 -4.547 1.00 90.76 C +HETATM 52 C HYP A 9 -7.952 -3.524 -4.528 1.00 92.98 C +HETATM 53 O HYP A 9 -7.651 -4.300 -5.450 1.00 91.24 O +HETATM 54 CB HYP A 9 -8.188 -1.355 -5.718 1.00 88.44 C +HETATM 55 CG HYP A 9 -7.150 -0.501 -6.354 1.00 88.23 C +HETATM 56 CD HYP A 9 -5.882 -1.259 -6.186 1.00 90.80 C +HETATM 57 OD1 HYP A 9 -7.039 0.710 -5.646 1.00 87.39 O +ATOM 58 N GLY A 10 -8.642 -3.991 -3.529 1.00 92.31 N +ATOM 59 CA GLY A 10 -9.290 -5.281 -3.514 1.00 89.86 C +ATOM 60 C GLY A 10 -10.650 -5.177 -4.169 1.00 90.04 C +ATOM 61 O GLY A 10 -11.072 -4.101 -4.592 1.00 88.81 O +ATOM 62 N PHE A 11 -11.348 -6.300 -4.261 1.00 91.01 N +ATOM 63 CA PHE A 11 -12.700 -6.259 -4.800 1.00 91.80 C +ATOM 64 C PHE A 11 -13.635 -5.482 -3.891 1.00 92.30 C +ATOM 65 O PHE A 11 -14.568 -4.847 -4.369 1.00 90.86 O +ATOM 66 CB PHE A 11 -13.227 -7.673 -5.005 1.00 90.04 C +ATOM 67 CG PHE A 11 -12.768 -8.284 -6.301 1.00 85.72 C +ATOM 68 CD1 PHE A 11 -13.387 -7.957 -7.487 1.00 83.73 C +ATOM 69 CD2 PHE A 11 -11.709 -9.169 -6.329 1.00 82.96 C +ATOM 70 CE1 PHE A 11 -12.971 -8.498 -8.677 1.00 81.17 C +ATOM 71 CE2 PHE A 11 -11.277 -9.721 -7.519 1.00 81.88 C +ATOM 72 CZ PHE A 11 -11.917 -9.386 -8.699 1.00 81.39 C +ATOM 73 N TRP A 12 -13.369 -5.529 -2.575 1.00 92.13 N +ATOM 74 CA TRP A 12 -14.149 -4.779 -1.603 1.00 92.59 C +ATOM 75 C TRP A 12 -13.319 -3.707 -0.940 1.00 91.89 C +ATOM 76 O TRP A 12 -13.677 -2.538 -0.961 1.00 88.94 O +ATOM 77 CB TRP A 12 -14.680 -5.710 -0.509 1.00 91.11 C +ATOM 78 CG TRP A 12 -15.460 -6.882 -0.985 1.00 86.18 C +ATOM 79 CD1 TRP A 12 -16.793 -6.929 -1.229 1.00 87.16 C +ATOM 80 CD2 TRP A 12 -14.973 -8.210 -1.230 1.00 85.29 C +ATOM 81 NE1 TRP A 12 -17.179 -8.185 -1.618 1.00 78.83 N +ATOM 82 CE2 TRP A 12 -16.079 -8.990 -1.626 1.00 82.85 C +ATOM 83 CE3 TRP A 12 -13.717 -8.803 -1.151 1.00 79.56 C +ATOM 84 CZ2 TRP A 12 -15.953 -10.343 -1.941 1.00 84.47 C +ATOM 85 CZ3 TRP A 12 -13.595 -10.132 -1.460 1.00 78.52 C +ATOM 86 CH2 TRP A 12 -14.691 -10.899 -1.852 1.00 76.05 C +ATOM 87 N GLY A 13 -12.262 -4.149 -0.302 1.00 93.70 N +ATOM 88 CA GLY A 13 -11.506 -3.305 0.582 1.00 92.80 C +ATOM 89 C GLY A 13 -10.867 -2.103 -0.065 1.00 93.43 C +ATOM 90 O GLY A 13 -10.671 -2.047 -1.280 1.00 93.57 O +ATOM 91 N PRO A 14 -10.524 -1.126 0.764 1.00 94.84 N +ATOM 92 CA PRO A 14 -9.798 0.043 0.294 1.00 94.58 C +ATOM 93 C PRO A 14 -8.368 -0.331 -0.048 1.00 94.83 C +ATOM 94 O PRO A 14 -7.924 -1.441 0.245 1.00 94.11 O +ATOM 95 CB PRO A 14 -9.857 1.000 1.476 1.00 93.05 C +ATOM 96 CG PRO A 14 -9.893 0.089 2.655 1.00 91.54 C +ATOM 97 CD PRO A 14 -10.722 -1.087 2.206 1.00 93.20 C +HETATM 98 N HYP A 15 -7.660 0.613 -0.634 1.00 93.57 N +HETATM 99 CA HYP A 15 -6.254 0.357 -0.919 1.00 93.55 C +HETATM 100 C HYP A 15 -5.529 -0.022 0.325 1.00 94.78 C +HETATM 101 O HYP A 15 -5.896 0.454 1.427 1.00 93.00 O +HETATM 102 CB HYP A 15 -5.839 1.751 -1.440 1.00 91.01 C +HETATM 103 CG HYP A 15 -7.120 2.351 -2.021 1.00 91.08 C +HETATM 104 CD HYP A 15 -8.160 1.906 -1.041 1.00 92.57 C +HETATM 105 OD1 HYP A 15 -7.392 1.837 -3.290 1.00 90.18 O +ATOM 106 N GLY A 16 -4.571 -0.890 0.183 1.00 94.81 N +ATOM 107 CA GLY A 16 -3.791 -1.287 1.317 1.00 94.08 C +ATOM 108 C GLY A 16 -2.989 -0.124 1.866 1.00 94.33 C +ATOM 109 O GLY A 16 -2.828 0.900 1.202 1.00 94.27 O +ATOM 110 N PRO A 17 -2.485 -0.282 3.086 1.00 93.90 N +ATOM 111 CA PRO A 17 -1.682 0.772 3.689 1.00 93.45 C +ATOM 112 C PRO A 17 -0.343 0.894 2.979 1.00 93.91 C +ATOM 113 O PRO A 17 0.084 -0.011 2.271 1.00 92.70 O +ATOM 114 CB PRO A 17 -1.518 0.319 5.126 1.00 91.73 C +ATOM 115 CG PRO A 17 -1.590 -1.163 5.036 1.00 89.87 C +ATOM 116 CD PRO A 17 -2.602 -1.436 3.960 1.00 91.84 C +HETATM 117 N HYP A 18 0.310 2.055 3.193 1.00 88.97 N +HETATM 118 CA HYP A 18 1.621 2.181 2.655 1.00 89.55 C +HETATM 119 C HYP A 18 2.539 1.107 3.151 1.00 91.69 C +HETATM 120 O HYP A 18 2.396 0.648 4.311 1.00 90.28 O +HETATM 121 CB HYP A 18 2.074 3.561 3.199 1.00 87.25 C +HETATM 122 CG HYP A 18 0.781 4.327 3.415 1.00 87.01 C +HETATM 123 CD HYP A 18 -0.159 3.248 3.881 1.00 90.44 C +HETATM 124 OD1 HYP A 18 0.317 4.861 2.187 1.00 87.69 O +ATOM 125 N GLY A 19 3.399 0.630 2.301 1.00 88.84 N +ATOM 126 CA GLY A 19 4.333 -0.387 2.678 1.00 87.67 C +ATOM 127 C GLY A 19 5.289 0.113 3.739 1.00 87.54 C +ATOM 128 O GLY A 19 5.406 1.315 3.972 1.00 88.77 O +ATOM 129 N PRO A 20 5.978 -0.806 4.401 1.00 88.74 N +ATOM 130 CA PRO A 20 6.938 -0.409 5.415 1.00 88.29 C +ATOM 131 C PRO A 20 8.143 0.268 4.790 1.00 87.93 C +ATOM 132 O PRO A 20 8.395 0.126 3.599 1.00 87.47 O +ATOM 133 CB PRO A 20 7.313 -1.729 6.079 1.00 84.96 C +ATOM 134 CG PRO A 20 7.129 -2.723 4.994 1.00 81.80 C +ATOM 135 CD PRO A 20 5.938 -2.246 4.218 1.00 85.89 C +HETATM 136 N HYP A 21 8.852 0.993 5.622 1.00 89.96 N +HETATM 137 CA HYP A 21 10.077 1.599 5.139 1.00 88.69 C +HETATM 138 C HYP A 21 11.065 0.583 4.582 1.00 89.25 C +HETATM 139 O HYP A 21 11.128 -0.532 5.099 1.00 92.18 O +HETATM 140 CB HYP A 21 10.644 2.274 6.394 1.00 87.64 C +HETATM 141 CG HYP A 21 9.451 2.536 7.283 1.00 82.87 C +HETATM 142 CD HYP A 21 8.559 1.331 7.025 1.00 89.51 C +HETATM 143 OD1 HYP A 21 8.764 3.694 6.841 1.00 84.63 O +ATOM 144 N GLY A 22 11.720 0.930 3.526 1.00 90.21 N +ATOM 145 CA GLY A 22 12.712 0.071 2.957 1.00 87.69 C +ATOM 146 C GLY A 22 13.923 -0.038 3.877 1.00 87.34 C +ATOM 147 O GLY A 22 13.971 0.602 4.923 1.00 87.38 O +ATOM 148 N PRO A 23 14.921 -0.837 3.511 1.00 91.83 N +ATOM 149 CA PRO A 23 16.108 -0.981 4.341 1.00 91.18 C +ATOM 150 C PRO A 23 16.949 0.285 4.284 1.00 89.80 C +ATOM 151 O PRO A 23 17.768 0.455 3.390 1.00 85.98 O +ATOM 152 CB PRO A 23 16.819 -2.181 3.724 1.00 87.76 C +ATOM 153 CG PRO A 23 16.395 -2.165 2.309 1.00 85.12 C +ATOM 154 CD PRO A 23 14.985 -1.629 2.302 1.00 89.20 C +HETATM 155 N HYP A 24 16.716 1.239 5.077 1.00 93.69 N +HETATM 156 CA HYP A 24 16.998 2.757 4.911 1.00 89.20 C +HETATM 157 C HYP A 24 16.076 3.484 4.142 1.00 93.28 C +HETATM 158 O HYP A 24 16.585 4.409 3.296 1.00 92.82 O +HETATM 159 CB HYP A 24 17.016 3.210 6.403 1.00 87.74 C +HETATM 160 CG HYP A 24 17.232 1.976 7.275 1.00 86.25 C +HETATM 161 CD HYP A 24 16.932 0.786 6.381 1.00 90.46 C +HETATM 162 OD1 HYP A 24 18.568 1.889 7.682 1.00 87.77 O +HETATM 163 OXT HYP A 24 15.029 4.224 4.711 1.00 86.64 O +TER 164 HYP A 24 +END diff --git a/protein_pdb_609.txt b/protein_pdb_609.txt new file mode 100644 index 0000000000000000000000000000000000000000..942fc9e55454ab2afd6ac82757bb321b78fa4ca3 --- /dev/null +++ b/protein_pdb_609.txt @@ -0,0 +1,235 @@ +ATOM 1 N GLY A 1 -34.412 26.151 28.458 1.00 89.01 N +ATOM 2 CA GLY A 1 -33.237 26.753 27.831 1.00 90.04 C +ATOM 3 C GLY A 1 -33.058 26.277 26.411 1.00 89.43 C +ATOM 4 O GLY A 1 -33.734 25.339 25.990 1.00 87.48 O +ATOM 5 N PRO A 2 -32.155 26.899 25.637 1.00 93.29 N +ATOM 6 CA PRO A 2 -31.930 26.498 24.253 1.00 94.03 C +ATOM 7 C PRO A 2 -31.270 25.122 24.168 1.00 93.97 C +ATOM 8 O PRO A 2 -30.608 24.674 25.110 1.00 90.49 O +ATOM 9 CB PRO A 2 -31.019 27.593 23.698 1.00 90.46 C +ATOM 10 CG PRO A 2 -30.273 28.071 24.901 1.00 85.69 C +ATOM 11 CD PRO A 2 -31.278 28.014 26.019 1.00 87.64 C +ATOM 12 N SER A 3 -31.453 24.460 23.016 1.00 93.24 N +ATOM 13 CA SER A 3 -30.824 23.160 22.787 1.00 94.16 C +ATOM 14 C SER A 3 -29.314 23.323 22.691 1.00 94.27 C +ATOM 15 O SER A 3 -28.814 24.344 22.227 1.00 91.30 O +ATOM 16 CB SER A 3 -31.363 22.521 21.513 1.00 89.17 C +ATOM 17 OG SER A 3 -32.745 22.270 21.619 1.00 76.86 O +ATOM 18 N GLY A 4 -28.582 22.311 23.110 1.00 94.62 N +ATOM 19 CA GLY A 4 -27.133 22.346 23.039 1.00 94.53 C +ATOM 20 C GLY A 4 -26.632 22.257 21.607 1.00 94.58 C +ATOM 21 O GLY A 4 -27.395 21.949 20.690 1.00 95.10 O +ATOM 22 N PRO A 5 -25.338 22.518 21.379 1.00 95.45 N +ATOM 23 CA PRO A 5 -24.773 22.452 20.034 1.00 95.15 C +ATOM 24 C PRO A 5 -24.767 21.023 19.495 1.00 95.48 C +ATOM 25 O PRO A 5 -24.781 20.059 20.260 1.00 94.40 O +ATOM 26 CB PRO A 5 -23.348 22.999 20.208 1.00 91.89 C +ATOM 27 CG PRO A 5 -23.015 22.672 21.624 1.00 89.05 C +ATOM 28 CD PRO A 5 -24.315 22.862 22.374 1.00 92.14 C +ATOM 29 N ARG A 6 -24.735 20.911 18.156 1.00 93.08 N +ATOM 30 CA ARG A 6 -24.691 19.611 17.519 1.00 92.97 C +ATOM 31 C ARG A 6 -23.379 18.914 17.850 1.00 93.05 C +ATOM 32 O ARG A 6 -22.344 19.560 18.000 1.00 91.60 O +ATOM 33 CB ARG A 6 -24.854 19.770 16.003 1.00 87.98 C +ATOM 34 CG ARG A 6 -25.030 18.460 15.256 1.00 80.89 C +ATOM 35 CD ARG A 6 -25.450 18.717 13.824 1.00 79.87 C +ATOM 36 NE ARG A 6 -25.740 17.480 13.101 1.00 75.24 N +ATOM 37 CZ ARG A 6 -26.353 17.423 11.938 1.00 71.71 C +ATOM 38 NH1 ARG A 6 -26.738 18.527 11.330 1.00 67.82 N +ATOM 39 NH2 ARG A 6 -26.576 16.253 11.374 1.00 66.30 N +ATOM 40 N GLY A 7 -23.430 17.605 17.961 1.00 96.25 N +ATOM 41 CA GLY A 7 -22.236 16.834 18.283 1.00 95.98 C +ATOM 42 C GLY A 7 -21.181 16.906 17.200 1.00 96.24 C +ATOM 43 O GLY A 7 -21.466 17.253 16.054 1.00 96.49 O +ATOM 44 N LEU A 8 -19.952 16.573 17.566 1.00 96.49 N +ATOM 45 CA LEU A 8 -18.826 16.586 16.636 1.00 96.45 C +ATOM 46 C LEU A 8 -18.965 15.473 15.615 1.00 96.60 C +ATOM 47 O LEU A 8 -19.549 14.430 15.897 1.00 96.38 O +ATOM 48 CB LEU A 8 -17.513 16.414 17.390 1.00 94.50 C +ATOM 49 CG LEU A 8 -17.140 17.538 18.359 1.00 85.98 C +ATOM 50 CD1 LEU A 8 -15.916 17.131 19.157 1.00 84.54 C +ATOM 51 CD2 LEU A 8 -16.885 18.836 17.612 1.00 82.75 C +HETATM 52 N HYP A 9 -18.372 15.665 14.443 1.00 96.88 N +HETATM 53 CA HYP A 9 -18.339 14.639 13.445 1.00 96.31 C +HETATM 54 C HYP A 9 -17.539 13.410 13.910 1.00 95.96 C +HETATM 55 O HYP A 9 -16.628 13.570 14.732 1.00 95.47 O +HETATM 56 CB HYP A 9 -17.599 15.303 12.225 1.00 92.92 C +HETATM 57 CG HYP A 9 -17.794 16.784 12.432 1.00 91.98 C +HETATM 58 CD HYP A 9 -17.799 16.934 13.929 1.00 94.81 C +HETATM 59 OD1 HYP A 9 -19.030 17.231 11.926 1.00 93.07 O +ATOM 60 N GLY A 10 -17.906 12.254 13.420 1.00 96.83 N +ATOM 61 CA GLY A 10 -17.186 11.054 13.793 1.00 96.57 C +ATOM 62 C GLY A 10 -15.772 11.070 13.236 1.00 96.72 C +ATOM 63 O GLY A 10 -15.419 11.914 12.405 1.00 97.08 O +ATOM 64 N PRO A 11 -14.931 10.131 13.680 1.00 97.14 N +ATOM 65 CA PRO A 11 -13.552 10.058 13.210 1.00 96.97 C +ATOM 66 C PRO A 11 -13.484 9.640 11.749 1.00 97.33 C +ATOM 67 O PRO A 11 -14.388 8.977 11.246 1.00 97.21 O +ATOM 68 CB PRO A 11 -12.912 9.022 14.127 1.00 95.50 C +ATOM 69 CG PRO A 11 -14.058 8.148 14.516 1.00 93.94 C +ATOM 70 CD PRO A 11 -15.231 9.080 14.646 1.00 96.24 C +HETATM 71 N HYP A 12 -12.428 9.986 11.071 1.00 96.07 N +HETATM 72 CA HYP A 12 -12.174 9.558 9.693 1.00 96.17 C +HETATM 73 C HYP A 12 -12.068 8.050 9.564 1.00 94.79 C +HETATM 74 O HYP A 12 -11.628 7.392 10.501 1.00 95.06 O +HETATM 75 CB HYP A 12 -10.766 10.216 9.352 1.00 93.77 C +HETATM 76 CG HYP A 12 -10.676 11.408 10.271 1.00 90.76 C +HETATM 77 CD HYP A 12 -11.383 10.913 11.545 1.00 93.87 C +HETATM 78 OD1 HYP A 12 -11.377 12.515 9.749 1.00 92.21 O +ATOM 79 N GLY A 13 -12.483 7.515 8.421 1.00 97.19 N +ATOM 80 CA GLY A 13 -12.402 6.094 8.195 1.00 96.82 C +ATOM 81 C GLY A 13 -10.960 5.620 8.146 1.00 97.13 C +ATOM 82 O GLY A 13 -10.031 6.405 7.957 1.00 97.24 O +ATOM 83 N ALA A 14 -10.775 4.308 8.313 1.00 97.00 N +ATOM 84 CA ALA A 14 -9.455 3.712 8.263 1.00 96.95 C +ATOM 85 C ALA A 14 -8.875 3.814 6.864 1.00 97.09 C +ATOM 86 O ALA A 14 -9.602 3.784 5.875 1.00 96.44 O +ATOM 87 CB ALA A 14 -9.523 2.253 8.694 1.00 95.36 C +HETATM 88 N HYP A 15 -7.573 3.900 6.745 1.00 95.96 N +HETATM 89 CA HYP A 15 -6.889 3.904 5.467 1.00 96.25 C +HETATM 90 C HYP A 15 -7.151 2.626 4.693 1.00 95.67 C +HETATM 91 O HYP A 15 -7.299 1.558 5.292 1.00 94.00 O +HETATM 92 CB HYP A 15 -5.350 3.967 5.775 1.00 93.83 C +HETATM 93 CG HYP A 15 -5.315 4.612 7.117 1.00 91.69 C +HETATM 94 CD HYP A 15 -6.596 4.088 7.804 1.00 94.23 C +HETATM 95 OD1 HYP A 15 -5.383 6.017 7.038 1.00 91.34 O +ATOM 96 N GLY A 16 -7.213 2.712 3.378 1.00 97.50 N +ATOM 97 CA GLY A 16 -7.416 1.548 2.552 1.00 97.27 C +ATOM 98 C GLY A 16 -6.230 0.595 2.638 1.00 97.44 C +ATOM 99 O GLY A 16 -5.168 0.958 3.149 1.00 97.50 O +ATOM 100 N PRO A 17 -6.388 -0.638 2.105 1.00 97.35 N +ATOM 101 CA PRO A 17 -5.304 -1.612 2.149 1.00 97.19 C +ATOM 102 C PRO A 17 -4.140 -1.189 1.262 1.00 97.17 C +ATOM 103 O PRO A 17 -4.319 -0.495 0.260 1.00 96.29 O +ATOM 104 CB PRO A 17 -5.957 -2.900 1.645 1.00 95.87 C +ATOM 105 CG PRO A 17 -7.056 -2.418 0.761 1.00 94.92 C +ATOM 106 CD PRO A 17 -7.573 -1.173 1.436 1.00 96.35 C +ATOM 107 N GLN A 18 -2.926 -1.609 1.629 1.00 96.44 N +ATOM 108 CA GLN A 18 -1.748 -1.315 0.822 1.00 96.22 C +ATOM 109 C GLN A 18 -1.851 -2.048 -0.510 1.00 96.16 C +ATOM 110 O GLN A 18 -2.343 -3.173 -0.575 1.00 94.59 O +ATOM 111 CB GLN A 18 -0.485 -1.733 1.571 1.00 94.32 C +ATOM 112 CG GLN A 18 0.803 -1.359 0.850 1.00 88.04 C +ATOM 113 CD GLN A 18 2.030 -1.639 1.684 1.00 83.47 C +ATOM 114 OE1 GLN A 18 1.947 -2.043 2.835 1.00 80.72 O +ATOM 115 NE2 GLN A 18 3.207 -1.434 1.100 1.00 77.79 N +ATOM 116 N GLY A 19 -1.404 -1.394 -1.580 1.00 97.00 N +ATOM 117 CA GLY A 19 -1.454 -2.005 -2.897 1.00 96.22 C +ATOM 118 C GLY A 19 -0.551 -3.211 -3.002 1.00 96.39 C +ATOM 119 O GLY A 19 0.356 -3.411 -2.194 1.00 96.55 O +ATOM 120 N PHE A 20 -0.790 -4.035 -4.026 1.00 95.73 N +ATOM 121 CA PHE A 20 0.027 -5.213 -4.258 1.00 95.40 C +ATOM 122 C PHE A 20 1.436 -4.814 -4.656 1.00 95.05 C +ATOM 123 O PHE A 20 1.643 -3.824 -5.357 1.00 94.39 O +ATOM 124 CB PHE A 20 -0.578 -6.079 -5.366 1.00 93.63 C +ATOM 125 CG PHE A 20 -1.925 -6.645 -5.027 1.00 87.58 C +ATOM 126 CD1 PHE A 20 -2.060 -7.632 -4.066 1.00 84.77 C +ATOM 127 CD2 PHE A 20 -3.066 -6.206 -5.688 1.00 83.48 C +ATOM 128 CE1 PHE A 20 -3.302 -8.161 -3.758 1.00 82.25 C +ATOM 129 CE2 PHE A 20 -4.312 -6.735 -5.378 1.00 82.31 C +ATOM 130 CZ PHE A 20 -4.433 -7.717 -4.410 1.00 82.44 C +ATOM 131 N GLN A 21 2.426 -5.600 -4.225 1.00 94.00 N +ATOM 132 CA GLN A 21 3.798 -5.353 -4.618 1.00 94.28 C +ATOM 133 C GLN A 21 3.924 -5.566 -6.120 1.00 94.59 C +ATOM 134 O GLN A 21 3.319 -6.473 -6.682 1.00 93.06 O +ATOM 135 CB GLN A 21 4.745 -6.290 -3.860 1.00 91.43 C +ATOM 136 CG GLN A 21 6.217 -6.036 -4.146 1.00 85.20 C +ATOM 137 CD GLN A 21 7.133 -6.913 -3.305 1.00 80.72 C +ATOM 138 OE1 GLN A 21 6.677 -7.725 -2.509 1.00 77.32 O +ATOM 139 NE2 GLN A 21 8.434 -6.748 -3.473 1.00 76.05 N +ATOM 140 N GLY A 22 4.702 -4.713 -6.781 1.00 95.65 N +ATOM 141 CA GLY A 22 4.892 -4.832 -8.214 1.00 95.18 C +ATOM 142 C GLY A 22 5.641 -6.094 -8.596 1.00 95.70 C +ATOM 143 O GLY A 22 6.242 -6.747 -7.747 1.00 96.40 O +ATOM 144 N PRO A 23 5.616 -6.464 -9.898 1.00 96.12 N +ATOM 145 CA PRO A 23 6.304 -7.663 -10.359 1.00 96.16 C +ATOM 146 C PRO A 23 7.815 -7.492 -10.259 1.00 96.30 C +ATOM 147 O PRO A 23 8.320 -6.375 -10.249 1.00 96.02 O +ATOM 148 CB PRO A 23 5.854 -7.808 -11.809 1.00 94.33 C +ATOM 149 CG PRO A 23 5.548 -6.411 -12.228 1.00 93.04 C +ATOM 150 CD PRO A 23 4.954 -5.767 -11.001 1.00 95.28 C +HETATM 151 N HYP A 24 8.510 -8.591 -10.232 1.00 94.56 N +HETATM 152 CA HYP A 24 9.965 -8.571 -10.207 1.00 93.67 C +HETATM 153 C HYP A 24 10.545 -7.870 -11.427 1.00 94.48 C +HETATM 154 O HYP A 24 9.944 -7.912 -12.507 1.00 92.43 O +HETATM 155 CB HYP A 24 10.331 -10.083 -10.202 1.00 91.27 C +HETATM 156 CG HYP A 24 9.104 -10.755 -9.602 1.00 89.75 C +HETATM 157 CD HYP A 24 7.946 -9.937 -10.121 1.00 92.66 C +HETATM 158 OD1 HYP A 24 9.102 -10.727 -8.190 1.00 91.38 O +ATOM 159 N GLY A 25 11.640 -7.173 -11.236 1.00 96.15 N +ATOM 160 CA GLY A 25 12.270 -6.481 -12.328 1.00 95.26 C +ATOM 161 C GLY A 25 12.837 -7.443 -13.358 1.00 95.23 C +ATOM 162 O GLY A 25 12.994 -8.640 -13.105 1.00 95.47 O +ATOM 163 N GLU A 26 13.153 -6.895 -14.528 1.00 95.94 N +ATOM 164 CA GLU A 26 13.728 -7.663 -15.627 1.00 95.83 C +ATOM 165 C GLU A 26 15.080 -8.224 -15.211 1.00 95.86 C +ATOM 166 O GLU A 26 15.875 -7.544 -14.587 1.00 95.40 O +ATOM 167 CB GLU A 26 13.870 -6.745 -16.831 1.00 93.64 C +ATOM 168 CG GLU A 26 14.491 -7.383 -18.056 1.00 84.87 C +ATOM 169 CD GLU A 26 14.601 -6.395 -19.204 1.00 80.64 C +ATOM 170 OE1 GLU A 26 13.714 -5.531 -19.326 1.00 77.65 O +ATOM 171 OE2 GLU A 26 15.580 -6.484 -19.966 1.00 76.54 O +HETATM 172 N HYP A 27 15.360 -9.462 -15.606 1.00 95.44 N +HETATM 173 CA HYP A 27 16.670 -10.059 -15.273 1.00 95.08 C +HETATM 174 C HYP A 27 17.818 -9.268 -15.932 1.00 95.50 C +HETATM 175 O HYP A 27 17.674 -8.744 -17.044 1.00 93.37 O +HETATM 176 CB HYP A 27 16.638 -11.490 -15.948 1.00 93.49 C +HETATM 177 CG HYP A 27 15.176 -11.837 -16.017 1.00 92.11 C +HETATM 178 CD HYP A 27 14.502 -10.502 -16.278 1.00 93.94 C +HETATM 179 OD1 HYP A 27 14.735 -12.367 -14.806 1.00 89.45 O +ATOM 180 N GLY A 28 18.933 -9.186 -15.223 1.00 95.20 N +ATOM 181 CA GLY A 28 20.091 -8.526 -15.772 1.00 94.67 C +ATOM 182 C GLY A 28 20.721 -9.371 -16.868 1.00 94.81 C +ATOM 183 O GLY A 28 20.353 -10.535 -17.067 1.00 95.07 O +ATOM 184 N PRO A 29 21.700 -8.810 -17.592 1.00 95.81 N +ATOM 185 CA PRO A 29 22.369 -9.555 -18.659 1.00 95.67 C +ATOM 186 C PRO A 29 23.168 -10.723 -18.092 1.00 95.73 C +ATOM 187 O PRO A 29 23.628 -10.670 -16.954 1.00 95.07 O +ATOM 188 CB PRO A 29 23.275 -8.502 -19.311 1.00 93.47 C +ATOM 189 CG PRO A 29 23.527 -7.530 -18.214 1.00 91.70 C +ATOM 190 CD PRO A 29 22.239 -7.466 -17.433 1.00 94.88 C +HETATM 191 N HYP A 30 23.392 -11.743 -18.933 1.00 93.39 N +HETATM 192 CA HYP A 30 24.168 -12.903 -18.482 1.00 92.66 C +HETATM 193 C HYP A 30 25.592 -12.520 -18.177 1.00 88.85 C +HETATM 194 O HYP A 30 26.165 -11.641 -18.816 1.00 88.72 O +HETATM 195 CB HYP A 30 24.146 -13.841 -19.757 1.00 88.60 C +HETATM 196 CG HYP A 30 22.868 -13.454 -20.505 1.00 86.92 C +HETATM 197 CD HYP A 30 22.779 -11.932 -20.270 1.00 91.03 C +HETATM 198 OD1 HYP A 30 21.740 -14.080 -19.933 1.00 87.29 O +ATOM 199 N GLY A 31 26.175 -13.168 -17.137 1.00 92.25 N +ATOM 200 CA GLY A 31 27.548 -12.906 -16.784 1.00 90.43 C +ATOM 201 C GLY A 31 28.491 -13.395 -17.874 1.00 90.24 C +ATOM 202 O GLY A 31 28.144 -14.266 -18.677 1.00 90.22 O +ATOM 203 N ALA A 32 29.705 -12.846 -17.883 1.00 90.72 N +ATOM 204 CA ALA A 32 30.705 -13.239 -18.850 1.00 88.98 C +ATOM 205 C ALA A 32 31.215 -14.648 -18.554 1.00 87.75 C +ATOM 206 O ALA A 32 31.286 -15.062 -17.393 1.00 83.99 O +ATOM 207 CB ALA A 32 31.862 -12.245 -18.846 1.00 84.87 C +ATOM 208 N SER A 33 31.559 -15.384 -19.595 1.00 88.12 N +ATOM 209 CA SER A 33 32.118 -16.722 -19.430 1.00 87.18 C +ATOM 210 C SER A 33 33.483 -16.621 -18.765 1.00 84.98 C +ATOM 211 O SER A 33 34.221 -15.665 -18.975 1.00 78.97 O +ATOM 212 CB SER A 33 32.247 -17.416 -20.781 1.00 81.37 C +ATOM 213 OG SER A 33 30.979 -17.605 -21.371 1.00 72.09 O +ATOM 214 N GLY A 34 33.781 -17.606 -17.935 1.00 85.51 N +ATOM 215 CA GLY A 34 35.074 -17.618 -17.274 1.00 82.01 C +ATOM 216 C GLY A 34 36.191 -17.967 -18.228 1.00 80.69 C +ATOM 217 O GLY A 34 35.947 -18.415 -19.349 1.00 78.95 O +ATOM 218 N PRO A 35 37.431 -17.821 -17.795 1.00 79.90 N +ATOM 219 CA PRO A 35 38.566 -18.154 -18.658 1.00 82.11 C +ATOM 220 C PRO A 35 38.675 -19.655 -18.868 1.00 80.78 C +ATOM 221 O PRO A 35 38.184 -20.451 -18.056 1.00 74.22 O +ATOM 222 CB PRO A 35 39.770 -17.602 -17.892 1.00 76.09 C +ATOM 223 CG PRO A 35 39.340 -17.673 -16.463 1.00 73.42 C +ATOM 224 CD PRO A 35 37.870 -17.337 -16.488 1.00 76.36 C +ATOM 225 N MET A 36 39.293 -20.016 -19.948 1.00 83.64 N +ATOM 226 CA MET A 36 39.462 -21.422 -20.294 1.00 82.79 C +ATOM 227 C MET A 36 40.580 -22.064 -19.440 1.00 77.69 C +ATOM 228 O MET A 36 40.505 -23.248 -19.147 1.00 70.97 O +ATOM 229 CB MET A 36 39.785 -21.547 -21.790 1.00 73.27 C +ATOM 230 CG MET A 36 39.739 -22.971 -22.331 1.00 67.51 C +ATOM 231 SD MET A 36 38.078 -23.619 -22.407 1.00 62.58 S +ATOM 232 CE MET A 36 37.444 -22.743 -23.828 1.00 59.15 C +ATOM 233 OXT MET A 36 41.538 -21.376 -19.090 1.00 65.51 O +TER 234 MET A 36 +END diff --git a/protein_pdb_61.txt b/protein_pdb_61.txt new file mode 100644 index 0000000000000000000000000000000000000000..29bd44d24451da0e2b74427c9e51a1ff1982a59a --- /dev/null +++ b/protein_pdb_61.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 12.451 3.775 -8.723 1.00 89.61 N +ATOM 2 CA GLY A 1 12.290 2.786 -7.713 1.00 91.24 C +ATOM 3 C GLY A 1 11.005 1.993 -7.834 1.00 91.93 C +ATOM 4 O GLY A 1 10.115 2.347 -8.605 1.00 90.17 O +ATOM 5 N PRO A 2 10.907 0.959 -7.081 1.00 89.21 N +ATOM 6 CA PRO A 2 9.726 0.115 -7.117 1.00 90.79 C +ATOM 7 C PRO A 2 8.550 0.760 -6.408 1.00 90.63 C +ATOM 8 O PRO A 2 8.694 1.760 -5.709 1.00 88.72 O +ATOM 9 CB PRO A 2 10.196 -1.142 -6.386 1.00 87.66 C +ATOM 10 CG PRO A 2 11.216 -0.636 -5.429 1.00 83.77 C +ATOM 11 CD PRO A 2 11.916 0.485 -6.146 1.00 85.87 C +HETATM 12 N HYP A 3 7.382 0.135 -6.613 1.00 91.27 N +HETATM 13 CA HYP A 3 6.219 0.618 -5.924 1.00 88.55 C +HETATM 14 C HYP A 3 6.402 0.563 -4.435 1.00 89.35 C +HETATM 15 O HYP A 3 7.123 -0.318 -3.920 1.00 91.76 O +HETATM 16 CB HYP A 3 5.117 -0.413 -6.336 1.00 86.97 C +HETATM 17 CG HYP A 3 5.579 -0.908 -7.698 1.00 84.09 C +HETATM 18 CD HYP A 3 7.110 -0.956 -7.527 1.00 87.77 C +HETATM 19 OD1 HYP A 3 5.241 0.021 -8.676 1.00 87.62 O +ATOM 20 N GLY A 4 5.815 1.536 -3.767 1.00 92.30 N +ATOM 21 CA GLY A 4 5.871 1.576 -2.335 1.00 92.15 C +ATOM 22 C GLY A 4 5.057 0.459 -1.706 1.00 92.94 C +ATOM 23 O GLY A 4 4.327 -0.267 -2.385 1.00 92.97 O +ATOM 24 N PRO A 5 5.168 0.310 -0.381 1.00 90.00 N +ATOM 25 CA PRO A 5 4.424 -0.728 0.315 1.00 91.18 C +ATOM 26 C PRO A 5 2.939 -0.397 0.379 1.00 90.91 C +ATOM 27 O PRO A 5 2.534 0.746 0.205 1.00 89.25 O +ATOM 28 CB PRO A 5 5.049 -0.726 1.703 1.00 89.16 C +ATOM 29 CG PRO A 5 5.531 0.669 1.880 1.00 86.63 C +ATOM 30 CD PRO A 5 5.975 1.117 0.524 1.00 89.41 C +HETATM 31 N HYP A 6 2.127 -1.434 0.610 1.00 92.19 N +HETATM 32 CA HYP A 6 0.729 -1.232 0.835 1.00 92.15 C +HETATM 33 C HYP A 6 0.455 -0.312 1.982 1.00 92.56 C +HETATM 34 O HYP A 6 1.238 -0.266 2.954 1.00 92.24 O +HETATM 35 CB HYP A 6 0.202 -2.650 1.158 1.00 90.64 C +HETATM 36 CG HYP A 6 1.151 -3.570 0.442 1.00 88.50 C +HETATM 37 CD HYP A 6 2.473 -2.845 0.608 1.00 90.66 C +HETATM 38 OD1 HYP A 6 0.804 -3.642 -0.919 1.00 88.74 O +ATOM 39 N GLY A 7 -0.566 0.469 1.861 1.00 91.51 N +ATOM 40 CA GLY A 7 -0.979 1.339 2.927 1.00 90.56 C +ATOM 41 C GLY A 7 -1.494 0.553 4.117 1.00 91.62 C +ATOM 42 O GLY A 7 -1.664 -0.659 4.058 1.00 91.31 O +ATOM 43 N PRO A 8 -1.748 1.242 5.221 1.00 90.82 N +ATOM 44 CA PRO A 8 -2.233 0.570 6.416 1.00 91.26 C +ATOM 45 C PRO A 8 -3.671 0.087 6.246 1.00 91.01 C +ATOM 46 O PRO A 8 -4.408 0.576 5.395 1.00 88.49 O +ATOM 47 CB PRO A 8 -2.123 1.632 7.499 1.00 89.01 C +ATOM 48 CG PRO A 8 -2.209 2.911 6.766 1.00 87.49 C +ATOM 49 CD PRO A 8 -1.579 2.677 5.421 1.00 89.92 C +HETATM 50 N HYP A 9 -4.060 -0.888 7.096 1.00 89.77 N +HETATM 51 CA HYP A 9 -5.400 -1.365 7.097 1.00 90.09 C +HETATM 52 C HYP A 9 -6.347 -0.314 7.516 1.00 91.45 C +HETATM 53 O HYP A 9 -6.028 0.570 8.321 1.00 88.45 O +HETATM 54 CB HYP A 9 -5.371 -2.481 8.172 1.00 89.19 C +HETATM 55 CG HYP A 9 -3.965 -2.919 8.256 1.00 86.00 C +HETATM 56 CD HYP A 9 -3.209 -1.665 8.013 1.00 88.95 C +HETATM 57 OD1 HYP A 9 -3.698 -3.829 7.213 1.00 88.55 O +ATOM 58 N GLY A 10 -7.535 -0.300 6.946 1.00 90.73 N +ATOM 59 CA GLY A 10 -8.600 0.556 7.400 1.00 88.93 C +ATOM 60 C GLY A 10 -9.227 -0.003 8.663 1.00 90.15 C +ATOM 61 O GLY A 10 -8.671 -0.875 9.332 1.00 88.93 O +ATOM 62 N ASP A 11 -10.406 0.485 8.995 1.00 92.04 N +ATOM 63 CA ASP A 11 -11.131 0.016 10.173 1.00 93.31 C +ATOM 64 C ASP A 11 -11.873 -1.262 9.805 1.00 93.43 C +ATOM 65 O ASP A 11 -12.949 -1.208 9.215 1.00 91.08 O +ATOM 66 CB ASP A 11 -12.089 1.092 10.655 1.00 91.15 C +ATOM 67 CG ASP A 11 -12.817 0.700 11.926 1.00 85.17 C +ATOM 68 OD1 ASP A 11 -12.624 -0.423 12.419 1.00 84.07 O +ATOM 69 OD2 ASP A 11 -13.603 1.530 12.437 1.00 82.48 O +HETATM 70 N HYP A 12 -11.394 -2.442 10.211 1.00 93.50 N +HETATM 71 CA HYP A 12 -11.651 -3.628 9.490 1.00 91.31 C +HETATM 72 C HYP A 12 -11.490 -3.608 8.082 1.00 93.88 C +HETATM 73 O HYP A 12 -12.195 -4.282 7.332 1.00 90.75 O +HETATM 74 CB HYP A 12 -11.449 -4.805 10.264 1.00 89.00 C +HETATM 75 CG HYP A 12 -11.584 -4.280 11.688 1.00 88.65 C +HETATM 76 CD HYP A 12 -11.360 -2.802 11.574 1.00 91.90 C +HETATM 77 OD1 HYP A 12 -10.638 -4.849 12.541 1.00 89.16 O +ATOM 78 N GLY A 13 -10.643 -2.799 7.510 1.00 93.11 N +ATOM 79 CA GLY A 13 -10.442 -2.662 6.086 1.00 92.59 C +ATOM 80 C GLY A 13 -9.141 -3.278 5.624 1.00 93.34 C +ATOM 81 O GLY A 13 -8.243 -3.547 6.420 1.00 92.88 O +ATOM 82 N PRO A 14 -9.039 -3.515 4.342 1.00 92.93 N +ATOM 83 CA PRO A 14 -7.840 -4.110 3.780 1.00 92.87 C +ATOM 84 C PRO A 14 -6.699 -3.115 3.705 1.00 93.11 C +ATOM 85 O PRO A 14 -6.890 -1.907 3.814 1.00 91.88 O +ATOM 86 CB PRO A 14 -8.282 -4.540 2.385 1.00 91.08 C +ATOM 87 CG PRO A 14 -9.322 -3.542 2.022 1.00 89.76 C +ATOM 88 CD PRO A 14 -10.043 -3.228 3.307 1.00 91.18 C +HETATM 89 N HYP A 15 -5.529 -3.683 3.493 1.00 93.77 N +HETATM 90 CA HYP A 15 -4.384 -2.827 3.247 1.00 93.26 C +HETATM 91 C HYP A 15 -4.607 -1.982 2.019 1.00 95.18 C +HETATM 92 O HYP A 15 -5.308 -2.394 1.077 1.00 93.85 O +HETATM 93 CB HYP A 15 -3.262 -3.863 2.954 1.00 91.61 C +HETATM 94 CG HYP A 15 -3.687 -5.116 3.692 1.00 89.44 C +HETATM 95 CD HYP A 15 -5.194 -5.108 3.531 1.00 91.61 C +HETATM 96 OD1 HYP A 15 -3.377 -5.018 5.060 1.00 89.73 O +ATOM 97 N GLY A 16 -4.087 -0.785 2.063 1.00 94.33 N +ATOM 98 CA GLY A 16 -4.172 0.089 0.926 1.00 94.45 C +ATOM 99 C GLY A 16 -3.333 -0.408 -0.230 1.00 95.14 C +ATOM 100 O GLY A 16 -2.557 -1.352 -0.095 1.00 94.95 O +ATOM 101 N PRO A 17 -3.504 0.224 -1.378 1.00 93.01 N +ATOM 102 CA PRO A 17 -2.736 -0.175 -2.546 1.00 93.45 C +ATOM 103 C PRO A 17 -1.272 0.198 -2.404 1.00 94.03 C +ATOM 104 O PRO A 17 -0.902 1.032 -1.584 1.00 92.60 O +ATOM 105 CB PRO A 17 -3.396 0.591 -3.682 1.00 91.98 C +ATOM 106 CG PRO A 17 -3.953 1.797 -3.024 1.00 90.67 C +ATOM 107 CD PRO A 17 -4.385 1.351 -1.655 1.00 92.28 C +HETATM 108 N HYP A 18 -0.439 -0.460 -3.218 1.00 92.79 N +HETATM 109 CA HYP A 18 0.926 -0.094 -3.259 1.00 94.06 C +HETATM 110 C HYP A 18 1.125 1.358 -3.605 1.00 94.87 C +HETATM 111 O HYP A 18 0.342 1.951 -4.369 1.00 93.47 O +HETATM 112 CB HYP A 18 1.492 -0.967 -4.395 1.00 92.18 C +HETATM 113 CG HYP A 18 0.583 -2.180 -4.420 1.00 89.94 C +HETATM 114 CD HYP A 18 -0.768 -1.568 -4.104 1.00 91.92 C +HETATM 115 OD1 HYP A 18 0.949 -3.090 -3.393 1.00 89.95 O +ATOM 116 N GLY A 19 2.097 1.954 -2.985 1.00 92.54 N +ATOM 117 CA GLY A 19 2.428 3.323 -3.268 1.00 92.57 C +ATOM 118 C GLY A 19 3.005 3.483 -4.659 1.00 93.34 C +ATOM 119 O GLY A 19 3.288 2.508 -5.354 1.00 93.54 O +ATOM 120 N PRO A 20 3.184 4.717 -5.071 1.00 86.70 N +ATOM 121 CA PRO A 20 3.734 4.966 -6.395 1.00 87.57 C +ATOM 122 C PRO A 20 5.205 4.601 -6.474 1.00 87.84 C +ATOM 123 O PRO A 20 5.884 4.460 -5.458 1.00 86.99 O +ATOM 124 CB PRO A 20 3.525 6.467 -6.582 1.00 85.36 C +ATOM 125 CG PRO A 20 3.522 7.005 -5.205 1.00 82.63 C +ATOM 126 CD PRO A 20 2.898 5.947 -4.341 1.00 84.64 C +HETATM 127 N HYP A 21 5.680 4.452 -7.711 1.00 90.06 N +HETATM 128 CA HYP A 21 7.051 4.189 -7.912 1.00 90.09 C +HETATM 129 C HYP A 21 7.934 5.266 -7.342 1.00 88.95 C +HETATM 130 O HYP A 21 7.547 6.449 -7.337 1.00 91.03 O +HETATM 131 CB HYP A 21 7.225 4.088 -9.407 1.00 87.35 C +HETATM 132 CG HYP A 21 5.871 3.696 -9.924 1.00 84.08 C +HETATM 133 CD HYP A 21 4.945 4.420 -8.980 1.00 88.99 C +HETATM 134 OD1 HYP A 21 5.687 2.288 -9.778 1.00 87.44 O +ATOM 135 N GLY A 22 9.015 4.854 -6.767 1.00 89.24 N +ATOM 136 CA GLY A 22 9.989 5.788 -6.271 1.00 87.55 C +ATOM 137 C GLY A 22 10.719 6.473 -7.415 1.00 87.44 C +ATOM 138 O GLY A 22 10.469 6.200 -8.590 1.00 87.02 O +ATOM 139 N PRO A 23 11.652 7.366 -7.085 1.00 87.70 N +ATOM 140 CA PRO A 23 12.398 8.076 -8.120 1.00 89.85 C +ATOM 141 C PRO A 23 13.393 7.139 -8.790 1.00 89.00 C +ATOM 142 O PRO A 23 14.357 6.704 -8.161 1.00 85.54 O +ATOM 143 CB PRO A 23 13.093 9.188 -7.340 1.00 86.91 C +ATOM 144 CG PRO A 23 13.246 8.644 -5.969 1.00 83.03 C +ATOM 145 CD PRO A 23 12.058 7.747 -5.736 1.00 86.38 C +HETATM 146 N HYP A 24 13.176 6.656 -9.921 1.00 93.47 N +HETATM 147 CA HYP A 24 13.718 5.411 -10.510 1.00 88.33 C +HETATM 148 C HYP A 24 13.628 4.200 -9.913 1.00 93.65 C +HETATM 149 O HYP A 24 14.674 3.643 -9.351 1.00 92.29 O +HETATM 150 CB HYP A 24 14.013 5.668 -11.932 1.00 87.75 C +HETATM 151 CG HYP A 24 14.207 7.196 -11.962 1.00 87.87 C +HETATM 152 CD HYP A 24 13.466 7.730 -10.694 1.00 91.58 C +HETATM 153 OD1 HYP A 24 13.659 7.756 -13.142 1.00 88.86 O +HETATM 154 OXT HYP A 24 12.956 3.183 -10.592 1.00 87.53 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_610.txt b/protein_pdb_610.txt new file mode 100644 index 0000000000000000000000000000000000000000..3716c38506f4a913a947ed72365d013c276c8f40 --- /dev/null +++ b/protein_pdb_610.txt @@ -0,0 +1,97 @@ +ATOM 1 N GLY A 1 21.488 3.865 0.395 1.00 90.11 N +ATOM 2 CA GLY A 1 20.635 3.889 1.581 1.00 91.23 C +ATOM 3 C GLY A 1 19.645 2.751 1.567 1.00 91.62 C +ATOM 4 O GLY A 1 19.502 2.058 0.559 1.00 91.28 O +ATOM 5 N PRO A 2 18.974 2.541 2.662 1.00 89.04 N +ATOM 6 CA PRO A 2 17.990 1.459 2.742 1.00 91.28 C +ATOM 7 C PRO A 2 16.763 1.769 1.905 1.00 91.11 C +ATOM 8 O PRO A 2 16.484 2.912 1.582 1.00 90.54 O +ATOM 9 CB PRO A 2 17.654 1.403 4.231 1.00 89.75 C +ATOM 10 CG PRO A 2 17.867 2.801 4.694 1.00 86.58 C +ATOM 11 CD PRO A 2 19.052 3.307 3.907 1.00 87.30 C +HETATM 12 N HYP A 3 16.098 0.766 1.556 1.00 87.69 N +HETATM 13 CA HYP A 3 14.810 0.926 0.850 1.00 90.49 C +HETATM 14 C HYP A 3 13.840 1.775 1.677 1.00 91.09 C +HETATM 15 O HYP A 3 13.878 1.722 2.918 1.00 93.60 O +HETATM 16 CB HYP A 3 14.315 -0.528 0.764 1.00 91.28 C +HETATM 17 CG HYP A 3 15.578 -1.363 0.811 1.00 87.14 C +HETATM 18 CD HYP A 3 16.497 -0.616 1.786 1.00 89.99 C +HETATM 19 OD1 HYP A 3 16.168 -1.402 -0.452 1.00 89.45 O +ATOM 20 N GLY A 4 13.020 2.517 0.946 1.00 95.30 N +ATOM 21 CA GLY A 4 12.008 3.297 1.626 1.00 94.17 C +ATOM 22 C GLY A 4 10.983 2.390 2.282 1.00 94.24 C +ATOM 23 O GLY A 4 10.999 1.168 2.095 1.00 94.80 O +ATOM 24 N PRO A 5 10.097 2.985 3.046 1.00 93.93 N +ATOM 25 CA PRO A 5 9.069 2.187 3.715 1.00 94.09 C +ATOM 26 C PRO A 5 8.090 1.600 2.707 1.00 93.33 C +ATOM 27 O PRO A 5 7.922 2.121 1.605 1.00 92.41 O +ATOM 28 CB PRO A 5 8.390 3.195 4.636 1.00 92.63 C +ATOM 29 CG PRO A 5 8.598 4.495 3.952 1.00 90.85 C +ATOM 30 CD PRO A 5 9.958 4.405 3.314 1.00 92.49 C +HETATM 31 N HYP A 6 7.444 0.516 3.095 1.00 93.87 N +HETATM 32 CA HYP A 6 6.386 -0.030 2.259 1.00 95.18 C +HETATM 33 C HYP A 6 5.297 0.976 2.022 1.00 94.85 C +HETATM 34 O HYP A 6 5.030 1.803 2.926 1.00 94.25 O +HETATM 35 CB HYP A 6 5.856 -1.216 3.164 1.00 93.58 C +HETATM 36 CG HYP A 6 7.042 -1.569 4.001 1.00 91.59 C +HETATM 37 CD HYP A 6 7.715 -0.267 4.257 1.00 93.29 C +HETATM 38 OD1 HYP A 6 7.896 -2.410 3.291 1.00 91.42 O +ATOM 39 N GLY A 7 4.708 0.895 0.838 1.00 95.64 N +ATOM 40 CA GLY A 7 3.590 1.762 0.543 1.00 95.28 C +ATOM 41 C GLY A 7 2.389 1.403 1.397 1.00 95.84 C +ATOM 42 O GLY A 7 2.384 0.392 2.115 1.00 95.45 O +ATOM 43 N PRO A 8 1.365 2.236 1.321 1.00 94.81 N +ATOM 44 CA PRO A 8 0.160 1.972 2.091 1.00 94.98 C +ATOM 45 C PRO A 8 -0.591 0.759 1.554 1.00 94.74 C +ATOM 46 O PRO A 8 -0.420 0.376 0.402 1.00 92.75 O +ATOM 47 CB PRO A 8 -0.654 3.249 1.917 1.00 93.68 C +ATOM 48 CG PRO A 8 -0.205 3.770 0.597 1.00 92.42 C +ATOM 49 CD PRO A 8 1.260 3.436 0.511 1.00 94.09 C +HETATM 50 N HYP A 9 -1.400 0.146 2.403 1.00 93.17 N +HETATM 51 CA HYP A 9 -2.262 -0.930 1.948 1.00 93.49 C +HETATM 52 C HYP A 9 -3.123 -0.472 0.818 1.00 91.78 C +HETATM 53 O HYP A 9 -3.562 0.683 0.756 1.00 92.94 O +HETATM 54 CB HYP A 9 -3.109 -1.157 3.225 1.00 91.27 C +HETATM 55 CG HYP A 9 -2.241 -0.732 4.345 1.00 91.95 C +HETATM 56 CD HYP A 9 -1.514 0.424 3.780 1.00 92.93 C +HETATM 57 OD1 HYP A 9 -1.274 -1.731 4.647 1.00 91.55 O +ATOM 58 N GLY A 10 -3.383 -1.416 -0.107 1.00 91.91 N +ATOM 59 CA GLY A 10 -4.259 -1.143 -1.215 1.00 91.19 C +ATOM 60 C GLY A 10 -5.680 -0.902 -0.736 1.00 91.53 C +ATOM 61 O GLY A 10 -6.017 -1.155 0.420 1.00 92.06 O +ATOM 62 N PRO A 11 -6.513 -0.409 -1.625 1.00 92.33 N +ATOM 63 CA PRO A 11 -7.896 -0.151 -1.255 1.00 92.08 C +ATOM 64 C PRO A 11 -8.656 -1.446 -1.043 1.00 91.63 C +ATOM 65 O PRO A 11 -8.286 -2.491 -1.558 1.00 90.95 O +ATOM 66 CB PRO A 11 -8.440 0.630 -2.447 1.00 89.97 C +ATOM 67 CG PRO A 11 -7.611 0.149 -3.584 1.00 87.55 C +ATOM 68 CD PRO A 11 -6.237 -0.080 -3.012 1.00 88.45 C +HETATM 69 N HYP A 12 -9.764 -1.387 -0.268 1.00 91.07 N +HETATM 70 CA HYP A 12 -10.606 -2.522 -0.134 1.00 94.08 C +HETATM 71 C HYP A 12 -11.138 -2.979 -1.442 1.00 90.89 C +HETATM 72 O HYP A 12 -11.386 -2.160 -2.348 1.00 93.21 O +HETATM 73 CB HYP A 12 -11.762 -1.971 0.734 1.00 90.33 C +HETATM 74 CG HYP A 12 -11.173 -0.860 1.514 1.00 88.81 C +HETATM 75 CD HYP A 12 -10.220 -0.271 0.537 1.00 92.27 C +HETATM 76 OD1 HYP A 12 -10.440 -1.348 2.624 1.00 92.44 O +ATOM 77 N GLY A 13 -11.260 -4.281 -1.621 1.00 92.54 N +ATOM 78 CA GLY A 13 -11.809 -4.831 -2.835 1.00 90.78 C +ATOM 79 C GLY A 13 -13.251 -4.396 -3.019 1.00 90.83 C +ATOM 80 O GLY A 13 -13.889 -3.872 -2.104 1.00 90.71 O +ATOM 81 N PRO A 14 -13.782 -4.619 -4.205 1.00 90.89 N +ATOM 82 CA PRO A 14 -15.165 -4.243 -4.454 1.00 90.69 C +ATOM 83 C PRO A 14 -16.117 -5.137 -3.680 1.00 90.90 C +ATOM 84 O PRO A 14 -15.771 -6.258 -3.293 1.00 89.78 O +ATOM 85 CB PRO A 14 -15.321 -4.432 -5.962 1.00 87.86 C +ATOM 86 CG PRO A 14 -14.332 -5.503 -6.285 1.00 86.82 C +ATOM 87 CD PRO A 14 -13.165 -5.248 -5.365 1.00 88.21 C +ATOM 88 N PRO A 15 -17.334 -4.654 -3.451 1.00 95.08 N +ATOM 89 CA PRO A 15 -18.310 -5.496 -2.766 1.00 94.03 C +ATOM 90 C PRO A 15 -18.774 -6.636 -3.685 1.00 91.56 C +ATOM 91 O PRO A 15 -18.557 -6.576 -4.893 1.00 88.78 O +ATOM 92 CB PRO A 15 -19.450 -4.525 -2.430 1.00 91.22 C +ATOM 93 CG PRO A 15 -19.350 -3.473 -3.478 1.00 91.28 C +ATOM 94 CD PRO A 15 -17.878 -3.313 -3.735 1.00 92.32 C +ATOM 95 OXT PRO A 15 -19.359 -7.614 -3.189 1.00 86.74 O +TER 96 PRO A 15 +END diff --git a/protein_pdb_611.txt b/protein_pdb_611.txt new file mode 100644 index 0000000000000000000000000000000000000000..90390f2aa249007441e444a5d1ebfe4c84cdc3d2 --- /dev/null +++ b/protein_pdb_611.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -10.372 13.332 0.810 1.00 81.34 N +ATOM 2 CA GLY A 1 -10.551 12.053 0.217 1.00 81.44 C +ATOM 3 C GLY A 1 -10.324 10.900 1.177 1.00 82.92 C +ATOM 4 O GLY A 1 -9.780 11.086 2.262 1.00 80.21 O +ATOM 5 N PRO A 2 -10.702 9.725 0.784 1.00 83.63 N +ATOM 6 CA PRO A 2 -10.550 8.542 1.614 1.00 84.19 C +ATOM 7 C PRO A 2 -9.118 8.034 1.613 1.00 83.51 C +ATOM 8 O PRO A 2 -8.310 8.417 0.775 1.00 81.50 O +ATOM 9 CB PRO A 2 -11.498 7.544 0.957 1.00 80.62 C +ATOM 10 CG PRO A 2 -11.483 7.941 -0.473 1.00 77.96 C +ATOM 11 CD PRO A 2 -11.364 9.441 -0.472 1.00 79.76 C +HETATM 12 N HYP A 3 -8.848 7.118 2.569 1.00 79.35 N +HETATM 13 CA HYP A 3 -7.529 6.515 2.594 1.00 83.25 C +HETATM 14 C HYP A 3 -7.262 5.656 1.358 1.00 82.09 C +HETATM 15 O HYP A 3 -8.226 5.088 0.788 1.00 84.36 O +HETATM 16 CB HYP A 3 -7.634 5.600 3.849 1.00 80.59 C +HETATM 17 CG HYP A 3 -8.666 6.307 4.701 1.00 75.30 C +HETATM 18 CD HYP A 3 -9.655 6.839 3.663 1.00 78.15 C +HETATM 19 OD1 HYP A 3 -8.044 7.373 5.350 1.00 79.09 O +ATOM 20 N GLY A 4 -6.040 5.643 0.946 1.00 83.60 N +ATOM 21 CA GLY A 4 -5.665 4.831 -0.178 1.00 81.98 C +ATOM 22 C GLY A 4 -5.780 3.358 0.155 1.00 83.51 C +ATOM 23 O GLY A 4 -5.929 2.971 1.313 1.00 82.15 O +ATOM 24 N PRO A 5 -5.704 2.512 -0.864 1.00 87.00 N +ATOM 25 CA PRO A 5 -5.805 1.072 -0.651 1.00 86.56 C +ATOM 26 C PRO A 5 -4.547 0.521 -0.000 1.00 86.24 C +ATOM 27 O PRO A 5 -3.498 1.156 0.003 1.00 84.88 O +ATOM 28 CB PRO A 5 -5.992 0.516 -2.060 1.00 84.22 C +ATOM 29 CG PRO A 5 -5.291 1.511 -2.924 1.00 81.99 C +ATOM 30 CD PRO A 5 -5.520 2.847 -2.268 1.00 83.28 C +HETATM 31 N HYP A 6 -4.682 -0.682 0.561 1.00 83.46 N +HETATM 32 CA HYP A 6 -3.507 -1.361 1.086 1.00 87.16 C +HETATM 33 C HYP A 6 -2.414 -1.529 0.055 1.00 84.99 C +HETATM 34 O HYP A 6 -2.729 -1.690 -1.161 1.00 86.81 O +HETATM 35 CB HYP A 6 -4.110 -2.698 1.479 1.00 83.13 C +HETATM 36 CG HYP A 6 -5.559 -2.436 1.722 1.00 81.77 C +HETATM 37 CD HYP A 6 -5.878 -1.392 0.709 1.00 83.39 C +HETATM 38 OD1 HYP A 6 -5.730 -1.891 3.003 1.00 82.14 O +ATOM 39 N GLY A 7 -1.206 -1.434 0.473 1.00 84.70 N +ATOM 40 CA GLY A 7 -0.102 -1.608 -0.425 1.00 83.36 C +ATOM 41 C GLY A 7 -0.052 -3.024 -0.973 1.00 84.42 C +ATOM 42 O GLY A 7 -0.715 -3.927 -0.465 1.00 82.99 O +ATOM 43 N PRO A 8 0.741 -3.229 -2.006 1.00 87.40 N +ATOM 44 CA PRO A 8 0.843 -4.554 -2.600 1.00 86.96 C +ATOM 45 C PRO A 8 1.568 -5.530 -1.686 1.00 87.13 C +ATOM 46 O PRO A 8 2.400 -5.140 -0.869 1.00 85.03 O +ATOM 47 CB PRO A 8 1.617 -4.313 -3.894 1.00 84.00 C +ATOM 48 CG PRO A 8 2.402 -3.087 -3.611 1.00 83.00 C +ATOM 49 CD PRO A 8 1.555 -2.250 -2.692 1.00 84.70 C +HETATM 50 N HYP A 9 1.295 -6.838 -1.873 1.00 83.65 N +HETATM 51 CA HYP A 9 1.908 -7.822 -1.117 1.00 83.69 C +HETATM 52 C HYP A 9 3.430 -7.902 -1.443 1.00 83.35 C +HETATM 53 O HYP A 9 3.802 -7.781 -2.591 1.00 84.44 O +HETATM 54 CB HYP A 9 1.354 -9.126 -1.707 1.00 79.73 C +HETATM 55 CG HYP A 9 0.101 -8.739 -2.324 1.00 75.41 C +HETATM 56 CD HYP A 9 0.335 -7.356 -2.795 1.00 82.51 C +HETATM 57 OD1 HYP A 9 -0.919 -8.716 -1.356 1.00 76.92 O +ATOM 58 N GLY A 10 4.240 -8.064 -0.475 1.00 84.96 N +ATOM 59 CA GLY A 10 5.663 -8.202 -0.686 1.00 82.29 C +ATOM 60 C GLY A 10 6.098 -9.640 -0.863 1.00 83.25 C +ATOM 61 O GLY A 10 7.281 -9.896 -1.069 1.00 78.57 O +ATOM 62 N GLY A 11 5.173 -10.581 -0.772 1.00 83.61 N +ATOM 63 CA GLY A 11 5.497 -11.998 -0.858 1.00 81.40 C +ATOM 64 C GLY A 11 5.766 -12.570 0.517 1.00 82.26 C +ATOM 65 O GLY A 11 5.212 -13.597 0.894 1.00 78.02 O +ATOM 66 N TRP A 12 6.607 -11.874 1.274 1.00 81.10 N +ATOM 67 CA TRP A 12 6.948 -12.293 2.629 1.00 81.79 C +ATOM 68 C TRP A 12 5.965 -11.751 3.663 1.00 82.92 C +ATOM 69 O TRP A 12 5.852 -12.330 4.744 1.00 78.64 O +ATOM 70 CB TRP A 12 8.358 -11.807 2.964 1.00 77.88 C +ATOM 71 CG TRP A 12 8.515 -10.314 2.855 1.00 72.47 C +ATOM 72 CD1 TRP A 12 8.902 -9.629 1.756 1.00 72.61 C +ATOM 73 CD2 TRP A 12 8.283 -9.343 3.882 1.00 70.59 C +ATOM 74 NE1 TRP A 12 8.925 -8.277 2.023 1.00 66.48 N +ATOM 75 CE2 TRP A 12 8.543 -8.077 3.315 1.00 68.93 C +ATOM 76 CE3 TRP A 12 7.882 -9.424 5.214 1.00 65.19 C +ATOM 77 CZ2 TRP A 12 8.409 -6.896 4.053 1.00 72.50 C +ATOM 78 CZ3 TRP A 12 7.746 -8.248 5.944 1.00 65.07 C +ATOM 79 CH2 TRP A 12 8.004 -7.012 5.361 1.00 62.22 C +ATOM 80 N GLY A 13 5.305 -10.668 3.356 1.00 83.40 N +ATOM 81 CA GLY A 13 4.460 -10.024 4.343 1.00 81.54 C +ATOM 82 C GLY A 13 3.107 -9.638 3.803 1.00 82.74 C +ATOM 83 O GLY A 13 2.824 -9.796 2.613 1.00 81.08 O +ATOM 84 N PRO A 14 2.250 -9.139 4.683 1.00 84.62 N +ATOM 85 CA PRO A 14 0.910 -8.735 4.287 1.00 84.95 C +ATOM 86 C PRO A 14 0.931 -7.467 3.451 1.00 84.82 C +ATOM 87 O PRO A 14 1.959 -6.813 3.311 1.00 81.64 O +ATOM 88 CB PRO A 14 0.203 -8.512 5.622 1.00 81.89 C +ATOM 89 CG PRO A 14 1.291 -8.082 6.533 1.00 80.64 C +ATOM 90 CD PRO A 14 2.503 -8.866 6.093 1.00 81.50 C +HETATM 91 N HYP A 15 -0.218 -7.153 2.907 1.00 80.05 N +HETATM 92 CA HYP A 15 -0.362 -5.900 2.208 1.00 84.55 C +HETATM 93 C HYP A 15 0.048 -4.747 3.062 1.00 83.47 C +HETATM 94 O HYP A 15 -0.102 -4.832 4.310 1.00 85.24 O +HETATM 95 CB HYP A 15 -1.862 -5.929 1.907 1.00 77.03 C +HETATM 96 CG HYP A 15 -2.159 -7.375 1.817 1.00 72.15 C +HETATM 97 CD HYP A 15 -1.344 -7.967 2.921 1.00 77.91 C +HETATM 98 OD1 HYP A 15 -1.787 -7.868 0.588 1.00 77.20 O +ATOM 99 N GLY A 16 0.560 -3.731 2.443 1.00 84.12 N +ATOM 100 CA GLY A 16 0.929 -2.559 3.175 1.00 82.65 C +ATOM 101 C GLY A 16 -0.286 -1.864 3.762 1.00 84.34 C +ATOM 102 O GLY A 16 -1.425 -2.211 3.454 1.00 82.51 O +ATOM 103 N PRO A 17 -0.046 -0.890 4.611 1.00 87.53 N +ATOM 104 CA PRO A 17 -1.151 -0.163 5.222 1.00 87.38 C +ATOM 105 C PRO A 17 -1.870 0.704 4.204 1.00 88.33 C +ATOM 106 O PRO A 17 -1.349 0.994 3.132 1.00 86.42 O +ATOM 107 CB PRO A 17 -0.464 0.684 6.295 1.00 85.18 C +ATOM 108 CG PRO A 17 0.907 0.870 5.772 1.00 83.28 C +ATOM 109 CD PRO A 17 1.247 -0.404 5.044 1.00 83.75 C +HETATM 110 N HYP A 18 -3.083 1.088 4.542 1.00 82.58 N +HETATM 111 CA HYP A 18 -3.788 2.004 3.720 1.00 87.79 C +HETATM 112 C HYP A 18 -3.035 3.256 3.456 1.00 85.89 C +HETATM 113 O HYP A 18 -2.268 3.717 4.333 1.00 86.94 O +HETATM 114 CB HYP A 18 -5.037 2.242 4.529 1.00 83.48 C +HETATM 115 CG HYP A 18 -5.205 1.007 5.332 1.00 79.66 C +HETATM 116 CD HYP A 18 -3.798 0.643 5.652 1.00 83.37 C +HETATM 117 OD1 HYP A 18 -5.797 -0.002 4.560 1.00 81.28 O +ATOM 118 N GLY A 19 -3.195 3.778 2.283 1.00 86.33 N +ATOM 119 CA GLY A 19 -2.552 5.012 1.937 1.00 85.49 C +ATOM 120 C GLY A 19 -3.085 6.162 2.766 1.00 86.70 C +ATOM 121 O GLY A 19 -4.065 6.016 3.496 1.00 86.54 O +ATOM 122 N PRO A 20 -2.445 7.299 2.665 1.00 82.92 N +ATOM 123 CA PRO A 20 -2.871 8.456 3.436 1.00 82.89 C +ATOM 124 C PRO A 20 -4.200 8.993 2.949 1.00 82.80 C +ATOM 125 O PRO A 20 -4.595 8.779 1.810 1.00 81.49 O +ATOM 126 CB PRO A 20 -1.748 9.467 3.213 1.00 79.85 C +ATOM 127 CG PRO A 20 -1.197 9.090 1.884 1.00 77.54 C +ATOM 128 CD PRO A 20 -1.310 7.595 1.816 1.00 79.80 C +HETATM 129 N HYP A 21 -4.877 9.684 3.821 1.00 86.45 N +HETATM 130 CA HYP A 21 -6.082 10.345 3.449 1.00 87.79 C +HETATM 131 C HYP A 21 -5.882 11.345 2.340 1.00 85.98 C +HETATM 132 O HYP A 21 -4.842 12.031 2.327 1.00 88.64 O +HETATM 133 CB HYP A 21 -6.417 11.087 4.740 1.00 84.77 C +HETATM 134 CG HYP A 21 -5.768 10.278 5.829 1.00 84.23 C +HETATM 135 CD HYP A 21 -4.526 9.814 5.187 1.00 85.60 C +HETATM 136 OD1 HYP A 21 -6.555 9.137 6.131 1.00 83.44 O +ATOM 137 N GLY A 22 -6.762 11.356 1.405 1.00 86.14 N +ATOM 138 CA GLY A 22 -6.681 12.326 0.350 1.00 84.16 C +ATOM 139 C GLY A 22 -7.031 13.709 0.873 1.00 84.80 C +ATOM 140 O GLY A 22 -7.524 13.850 1.992 1.00 83.52 O +ATOM 141 N PRO A 23 -6.807 14.730 0.079 1.00 87.74 N +ATOM 142 CA PRO A 23 -7.161 16.080 0.485 1.00 87.37 C +ATOM 143 C PRO A 23 -8.671 16.259 0.406 1.00 86.70 C +ATOM 144 O PRO A 23 -9.238 16.226 -0.684 1.00 83.67 O +ATOM 145 CB PRO A 23 -6.424 16.955 -0.521 1.00 83.81 C +ATOM 146 CG PRO A 23 -6.290 16.101 -1.726 1.00 81.93 C +ATOM 147 CD PRO A 23 -6.187 14.683 -1.228 1.00 84.07 C +HETATM 148 N HYP A 24 -9.355 16.301 1.519 1.00 86.15 N +HETATM 149 CA HYP A 24 -10.776 16.024 1.509 1.00 83.84 C +HETATM 150 C HYP A 24 -11.289 14.891 0.914 1.00 81.07 C +HETATM 151 O HYP A 24 -12.360 14.241 1.242 1.00 81.24 O +HETATM 152 CB HYP A 24 -11.407 16.763 2.592 1.00 80.28 C +HETATM 153 CG HYP A 24 -10.404 17.836 2.934 1.00 80.79 C +HETATM 154 CD HYP A 24 -9.063 17.332 2.380 1.00 83.76 C +HETATM 155 OD1 HYP A 24 -10.296 18.064 4.311 1.00 82.43 O +HETATM 156 OXT HYP A 24 -11.321 14.864 -0.373 1.00 79.67 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_612.txt b/protein_pdb_612.txt new file mode 100644 index 0000000000000000000000000000000000000000..47072abf13e4ba4c0b0095ca6e1dc52c750d73b0 --- /dev/null +++ b/protein_pdb_612.txt @@ -0,0 +1,209 @@ +ATOM 1 N GLY A 1 46.981 -0.789 10.227 1.00 89.12 N +ATOM 2 CA GLY A 1 45.906 -1.624 10.762 1.00 91.20 C +ATOM 3 C GLY A 1 45.000 -2.144 9.670 1.00 91.61 C +ATOM 4 O GLY A 1 45.156 -1.776 8.504 1.00 88.88 O +ATOM 5 N PRO A 2 44.014 -2.980 10.014 1.00 93.03 N +ATOM 6 CA PRO A 2 43.095 -3.539 9.022 1.00 93.95 C +ATOM 7 C PRO A 2 42.125 -2.481 8.500 1.00 93.50 C +ATOM 8 O PRO A 2 41.913 -1.449 9.130 1.00 91.68 O +ATOM 9 CB PRO A 2 42.349 -4.633 9.798 1.00 92.24 C +ATOM 10 CG PRO A 2 42.386 -4.152 11.211 1.00 88.17 C +ATOM 11 CD PRO A 2 43.725 -3.469 11.359 1.00 91.76 C +HETATM 12 N HYP A 3 41.633 -2.703 7.385 1.00 86.19 N +HETATM 13 CA HYP A 3 40.548 -1.852 6.753 1.00 83.98 C +HETATM 14 C HYP A 3 39.326 -1.683 7.690 1.00 80.35 C +HETATM 15 O HYP A 3 39.066 -2.578 8.486 1.00 83.39 O +HETATM 16 CB HYP A 3 40.198 -2.582 5.447 1.00 79.11 C +HETATM 17 CG HYP A 3 41.460 -3.388 5.121 1.00 77.40 C +HETATM 18 CD HYP A 3 42.022 -3.821 6.537 1.00 82.96 C +HETATM 19 OD1 HYP A 3 42.411 -2.602 4.475 1.00 83.28 O +ATOM 20 N GLY A 4 38.616 -0.551 7.551 1.00 94.59 N +ATOM 21 CA GLY A 4 37.458 -0.292 8.372 1.00 93.10 C +ATOM 22 C GLY A 4 36.335 -1.298 8.102 1.00 92.73 C +ATOM 23 O GLY A 4 36.307 -1.964 7.060 1.00 91.91 O +ATOM 24 N ALA A 5 35.402 -1.388 9.043 1.00 92.76 N +ATOM 25 CA ALA A 5 34.279 -2.314 8.923 1.00 91.62 C +ATOM 26 C ALA A 5 33.330 -1.890 7.806 1.00 90.86 C +ATOM 27 O ALA A 5 33.196 -0.708 7.491 1.00 88.58 O +ATOM 28 CB ALA A 5 33.529 -2.401 10.250 1.00 89.02 C +ATOM 29 N LYS A 6 32.638 -2.871 7.197 1.00 91.22 N +ATOM 30 CA LYS A 6 31.656 -2.603 6.155 1.00 90.84 C +ATOM 31 C LYS A 6 30.454 -1.879 6.766 1.00 88.82 C +ATOM 32 O LYS A 6 30.065 -2.159 7.897 1.00 87.17 O +ATOM 33 CB LYS A 6 31.216 -3.918 5.508 1.00 85.23 C +ATOM 34 CG LYS A 6 30.241 -3.750 4.348 1.00 78.53 C +ATOM 35 CD LYS A 6 29.881 -5.093 3.736 1.00 77.89 C +ATOM 36 CE LYS A 6 28.897 -4.924 2.590 1.00 73.57 C +ATOM 37 NZ LYS A 6 28.522 -6.221 1.993 1.00 68.46 N +ATOM 38 N GLY A 7 29.865 -0.966 6.004 1.00 95.38 N +ATOM 39 CA GLY A 7 28.709 -0.225 6.487 1.00 94.20 C +ATOM 40 C GLY A 7 27.496 -1.118 6.664 1.00 94.55 C +ATOM 41 O GLY A 7 27.405 -2.196 6.077 1.00 93.83 O +ATOM 42 N GLU A 8 26.557 -0.653 7.485 1.00 90.42 N +ATOM 43 CA GLU A 8 25.356 -1.436 7.743 1.00 91.54 C +ATOM 44 C GLU A 8 24.404 -1.377 6.563 1.00 90.75 C +ATOM 45 O GLU A 8 24.452 -0.452 5.757 1.00 88.97 O +ATOM 46 CB GLU A 8 24.658 -0.954 9.017 1.00 89.39 C +ATOM 47 CG GLU A 8 24.295 0.513 9.011 1.00 81.79 C +ATOM 48 CD GLU A 8 23.760 0.960 10.370 1.00 77.65 C +ATOM 49 OE1 GLU A 8 22.767 0.363 10.827 1.00 75.07 O +ATOM 50 OE2 GLU A 8 24.337 1.879 10.963 1.00 75.71 O +HETATM 51 N HYP A 9 23.550 -2.353 6.453 1.00 85.01 N +HETATM 52 CA HYP A 9 22.540 -2.419 5.380 1.00 84.26 C +HETATM 53 C HYP A 9 21.611 -1.293 5.439 1.00 83.93 C +HETATM 54 O HYP A 9 21.311 -0.775 6.509 1.00 84.55 O +HETATM 55 CB HYP A 9 21.835 -3.801 5.638 1.00 84.27 C +HETATM 56 CG HYP A 9 22.826 -4.610 6.445 1.00 82.25 C +HETATM 57 CD HYP A 9 23.507 -3.550 7.246 1.00 84.66 C +HETATM 58 OD1 HYP A 9 23.765 -5.294 5.639 1.00 83.73 O +ATOM 59 N GLY A 10 21.085 -0.824 4.268 1.00 93.74 N +ATOM 60 CA GLY A 10 20.156 0.286 4.195 1.00 91.54 C +ATOM 61 C GLY A 10 18.816 -0.059 4.838 1.00 90.48 C +ATOM 62 O GLY A 10 18.510 -1.223 5.095 1.00 89.24 O +ATOM 63 N ASP A 11 18.007 0.987 5.075 1.00 88.93 N +ATOM 64 CA ASP A 11 16.685 0.811 5.671 1.00 88.33 C +ATOM 65 C ASP A 11 15.740 0.117 4.703 1.00 86.62 C +ATOM 66 O ASP A 11 15.917 0.172 3.485 1.00 84.39 O +ATOM 67 CB ASP A 11 16.081 2.159 6.069 1.00 85.34 C +ATOM 68 CG ASP A 11 16.846 2.843 7.181 1.00 82.52 C +ATOM 69 OD1 ASP A 11 17.532 2.151 7.962 1.00 78.07 O +ATOM 70 OD2 ASP A 11 16.756 4.089 7.275 1.00 76.59 O +ATOM 71 N ALA A 12 14.699 -0.515 5.240 1.00 86.06 N +ATOM 72 CA ALA A 12 13.682 -1.154 4.415 1.00 85.32 C +ATOM 73 C ALA A 12 12.904 -0.086 3.650 1.00 83.36 C +ATOM 74 O ALA A 12 12.763 1.050 4.099 1.00 78.14 O +ATOM 75 CB ALA A 12 12.730 -1.980 5.276 1.00 83.06 C +ATOM 76 N GLY A 13 12.414 -0.447 2.473 1.00 85.78 N +ATOM 77 CA GLY A 13 11.665 0.491 1.662 1.00 83.03 C +ATOM 78 C GLY A 13 10.370 0.917 2.335 1.00 82.69 C +ATOM 79 O GLY A 13 9.836 0.225 3.203 1.00 82.10 O +ATOM 80 N ALA A 14 9.871 2.082 1.931 1.00 83.08 N +ATOM 81 CA ALA A 14 8.633 2.600 2.490 1.00 85.23 C +ATOM 82 C ALA A 14 7.451 1.744 2.066 1.00 84.98 C +ATOM 83 O ALA A 14 7.448 1.126 0.998 1.00 81.08 O +ATOM 84 CB ALA A 14 8.413 4.044 2.039 1.00 82.18 C +ATOM 85 N LYS A 15 6.405 1.712 2.916 1.00 82.63 N +ATOM 86 CA LYS A 15 5.185 0.973 2.606 1.00 85.52 C +ATOM 87 C LYS A 15 4.507 1.605 1.396 1.00 83.55 C +ATOM 88 O LYS A 15 4.464 2.831 1.263 1.00 79.62 O +ATOM 89 CB LYS A 15 4.246 0.981 3.820 1.00 79.24 C +ATOM 90 CG LYS A 15 2.961 0.202 3.646 1.00 72.38 C +ATOM 91 CD LYS A 15 2.143 0.191 4.929 1.00 70.11 C +ATOM 92 CE LYS A 15 0.786 -0.460 4.738 1.00 66.06 C +ATOM 93 NZ LYS A 15 0.901 -1.876 4.360 1.00 60.64 N +ATOM 94 N ALA A 16 3.983 0.766 0.499 1.00 85.37 N +ATOM 95 CA ALA A 16 3.322 1.269 -0.702 1.00 86.42 C +ATOM 96 C ALA A 16 2.048 2.034 -0.347 1.00 86.10 C +ATOM 97 O ALA A 16 1.385 1.738 0.649 1.00 83.48 O +ATOM 98 CB ALA A 16 2.989 0.107 -1.643 1.00 82.89 C +ATOM 99 N ASP A 17 1.715 3.029 -1.178 1.00 88.27 N +ATOM 100 CA ASP A 17 0.481 3.790 -0.982 1.00 88.70 C +ATOM 101 C ASP A 17 -0.732 2.896 -1.194 1.00 88.51 C +ATOM 102 O ASP A 17 -0.688 1.912 -1.929 1.00 84.92 O +ATOM 103 CB ASP A 17 0.420 4.967 -1.963 1.00 82.74 C +ATOM 104 CG ASP A 17 1.460 6.036 -1.678 1.00 75.90 C +ATOM 105 OD1 ASP A 17 1.953 6.119 -0.533 1.00 73.61 O +ATOM 106 OD2 ASP A 17 1.774 6.803 -2.615 1.00 71.21 O +ATOM 107 N ALA A 18 -1.856 3.260 -0.553 1.00 86.95 N +ATOM 108 CA ALA A 18 -3.100 2.530 -0.739 1.00 86.82 C +ATOM 109 C ALA A 18 -3.575 2.692 -2.182 1.00 87.77 C +ATOM 110 O ALA A 18 -3.350 3.729 -2.814 1.00 82.86 O +ATOM 111 CB ALA A 18 -4.164 3.039 0.223 1.00 81.48 C +ATOM 112 N GLY A 19 -4.224 1.668 -2.704 1.00 89.85 N +ATOM 113 CA GLY A 19 -4.742 1.728 -4.062 1.00 88.96 C +ATOM 114 C GLY A 19 -5.931 2.673 -4.165 1.00 90.33 C +ATOM 115 O GLY A 19 -6.419 3.186 -3.160 1.00 90.22 O +ATOM 116 N PRO A 20 -6.423 2.922 -5.396 1.00 86.04 N +ATOM 117 CA PRO A 20 -7.559 3.818 -5.586 1.00 86.66 C +ATOM 118 C PRO A 20 -8.832 3.220 -5.003 1.00 87.32 C +ATOM 119 O PRO A 20 -8.937 2.013 -4.824 1.00 85.57 O +ATOM 120 CB PRO A 20 -7.654 3.965 -7.105 1.00 82.62 C +ATOM 121 CG PRO A 20 -7.043 2.714 -7.625 1.00 81.00 C +ATOM 122 CD PRO A 20 -5.931 2.380 -6.672 1.00 84.38 C +HETATM 123 N HYP A 21 -9.833 4.053 -4.725 1.00 84.09 N +HETATM 124 CA HYP A 21 -11.093 3.643 -4.254 1.00 82.18 C +HETATM 125 C HYP A 21 -11.798 2.681 -5.210 1.00 81.88 C +HETATM 126 O HYP A 21 -11.606 2.810 -6.429 1.00 87.31 O +HETATM 127 CB HYP A 21 -11.912 4.919 -4.090 1.00 78.58 C +HETATM 128 CG HYP A 21 -10.855 5.982 -3.902 1.00 77.01 C +HETATM 129 CD HYP A 21 -9.725 5.499 -4.753 1.00 87.69 C +HETATM 130 OD1 HYP A 21 -10.448 6.027 -2.555 1.00 83.58 O +ATOM 131 N GLY A 22 -12.521 1.734 -4.702 1.00 91.83 N +ATOM 132 CA GLY A 22 -13.252 0.825 -5.547 1.00 91.35 C +ATOM 133 C GLY A 22 -14.411 1.535 -6.242 1.00 92.63 C +ATOM 134 O GLY A 22 -14.719 2.689 -5.922 1.00 92.81 O +ATOM 135 N PRO A 23 -15.061 0.860 -7.187 1.00 87.83 N +ATOM 136 CA PRO A 23 -16.189 1.462 -7.894 1.00 88.07 C +ATOM 137 C PRO A 23 -17.397 1.614 -6.978 1.00 89.02 C +ATOM 138 O PRO A 23 -17.504 0.950 -5.952 1.00 88.09 O +ATOM 139 CB PRO A 23 -16.462 0.475 -9.025 1.00 85.41 C +ATOM 140 CG PRO A 23 -15.982 -0.823 -8.486 1.00 84.36 C +ATOM 141 CD PRO A 23 -14.773 -0.494 -7.650 1.00 87.60 C +HETATM 142 N HYP A 24 -18.331 2.487 -7.341 1.00 88.59 N +HETATM 143 CA HYP A 24 -19.564 2.652 -6.635 1.00 86.75 C +HETATM 144 C HYP A 24 -20.356 1.338 -6.558 1.00 82.67 C +HETATM 145 O HYP A 24 -20.259 0.535 -7.481 1.00 88.25 O +HETATM 146 CB HYP A 24 -20.315 3.741 -7.411 1.00 78.50 C +HETATM 147 CG HYP A 24 -19.203 4.561 -8.050 1.00 80.22 C +HETATM 148 CD HYP A 24 -18.167 3.509 -8.368 1.00 89.07 C +HETATM 149 OD1 HYP A 24 -18.658 5.485 -7.143 1.00 84.90 O +ATOM 150 N GLY A 25 -21.084 1.131 -5.477 1.00 94.23 N +ATOM 151 CA GLY A 25 -21.879 -0.059 -5.317 1.00 94.09 C +ATOM 152 C GLY A 25 -23.012 -0.113 -6.327 1.00 94.82 C +ATOM 153 O GLY A 25 -23.293 0.870 -7.018 1.00 94.69 O +ATOM 154 N PRO A 26 -23.683 -1.259 -6.424 1.00 87.62 N +ATOM 155 CA PRO A 26 -24.784 -1.412 -7.373 1.00 87.69 C +ATOM 156 C PRO A 26 -25.988 -0.578 -6.964 1.00 88.31 C +ATOM 157 O PRO A 26 -26.147 -0.220 -5.801 1.00 86.17 O +ATOM 158 CB PRO A 26 -25.085 -2.907 -7.325 1.00 83.83 C +ATOM 159 CG PRO A 26 -24.661 -3.306 -5.955 1.00 82.38 C +ATOM 160 CD PRO A 26 -23.438 -2.470 -5.660 1.00 86.91 C +HETATM 161 N HYP A 27 -26.853 -0.267 -7.903 1.00 85.68 N +HETATM 162 CA HYP A 27 -28.102 0.446 -7.635 1.00 87.27 C +HETATM 163 C HYP A 27 -28.964 -0.333 -6.639 1.00 86.08 C +HETATM 164 O HYP A 27 -28.916 -1.542 -6.587 1.00 91.83 O +HETATM 165 CB HYP A 27 -28.741 0.530 -9.036 1.00 82.44 C +HETATM 166 CG HYP A 27 -27.588 0.455 -10.018 1.00 80.84 C +HETATM 167 CD HYP A 27 -26.618 -0.471 -9.316 1.00 88.21 C +HETATM 168 OD1 HYP A 27 -26.968 1.729 -10.185 1.00 88.17 O +ATOM 169 N GLY A 28 -29.747 0.390 -5.847 1.00 92.74 N +ATOM 170 CA GLY A 28 -30.653 -0.234 -4.919 1.00 92.17 C +ATOM 171 C GLY A 28 -31.748 -0.992 -5.644 1.00 92.91 C +ATOM 172 O GLY A 28 -31.875 -0.907 -6.872 1.00 92.50 O +ATOM 173 N PRO A 29 -32.576 -1.729 -4.906 1.00 92.82 N +ATOM 174 CA PRO A 29 -33.645 -2.503 -5.525 1.00 92.25 C +ATOM 175 C PRO A 29 -34.730 -1.601 -6.096 1.00 92.54 C +ATOM 176 O PRO A 29 -34.894 -0.459 -5.677 1.00 90.67 O +ATOM 177 CB PRO A 29 -34.168 -3.363 -4.371 1.00 89.54 C +ATOM 178 CG PRO A 29 -33.835 -2.569 -3.151 1.00 87.96 C +ATOM 179 CD PRO A 29 -32.517 -1.905 -3.461 1.00 91.20 C +HETATM 180 N HYP A 30 -35.489 -2.080 -7.037 1.00 89.78 N +HETATM 181 CA HYP A 30 -36.597 -1.334 -7.628 1.00 87.99 C +HETATM 182 C HYP A 30 -37.664 -0.983 -6.587 1.00 88.69 C +HETATM 183 O HYP A 30 -37.860 -1.725 -5.647 1.00 91.68 O +HETATM 184 CB HYP A 30 -37.150 -2.290 -8.708 1.00 86.04 C +HETATM 185 CG HYP A 30 -35.973 -3.178 -9.068 1.00 84.51 C +HETATM 186 CD HYP A 30 -35.226 -3.305 -7.738 1.00 89.39 C +HETATM 187 OD1 HYP A 30 -35.111 -2.552 -10.011 1.00 86.39 O +ATOM 188 N GLY A 31 -38.322 0.150 -6.779 1.00 87.54 N +ATOM 189 CA GLY A 31 -39.399 0.544 -5.906 1.00 85.68 C +ATOM 190 C GLY A 31 -40.593 -0.374 -6.076 1.00 86.04 C +ATOM 191 O GLY A 31 -40.617 -1.219 -6.978 1.00 83.47 O +ATOM 192 N PRO A 32 -41.626 -0.203 -5.243 1.00 86.41 N +ATOM 193 CA PRO A 32 -42.807 -1.053 -5.349 1.00 86.65 C +ATOM 194 C PRO A 32 -43.566 -0.777 -6.636 1.00 86.44 C +ATOM 195 O PRO A 32 -43.485 0.315 -7.199 1.00 81.18 O +ATOM 196 CB PRO A 32 -43.628 -0.676 -4.120 1.00 81.48 C +ATOM 197 CG PRO A 32 -43.196 0.713 -3.812 1.00 78.62 C +ATOM 198 CD PRO A 32 -41.736 0.767 -4.164 1.00 81.36 C +HETATM 199 N HYP A 33 -44.354 -1.696 -7.091 1.00 83.86 N +HETATM 200 CA HYP A 33 -45.069 -1.449 -8.340 1.00 74.32 C +HETATM 201 C HYP A 33 -45.872 -0.208 -8.335 1.00 74.56 C +HETATM 202 O HYP A 33 -46.426 0.101 -7.260 1.00 80.36 O +HETATM 203 CB HYP A 33 -45.919 -2.724 -8.554 1.00 79.58 C +HETATM 204 CG HYP A 33 -45.290 -3.783 -7.688 1.00 75.61 C +HETATM 205 CD HYP A 33 -44.636 -3.008 -6.540 1.00 82.41 C +HETATM 206 OD1 HYP A 33 -44.291 -4.461 -8.418 1.00 75.90 O +HETATM 207 OXT HYP A 33 -45.940 0.416 -9.421 1.00 77.14 O +TER 208 HYP A 33 +END diff --git a/protein_pdb_613.txt b/protein_pdb_613.txt new file mode 100644 index 0000000000000000000000000000000000000000..6c8b3a2a9c7847534256216ff794805e1d1331e2 --- /dev/null +++ b/protein_pdb_613.txt @@ -0,0 +1,175 @@ +ATOM 1 N GLY A 1 28.717 -25.116 -6.957 1.00 92.04 N +ATOM 2 CA GLY A 1 27.984 -24.814 -5.734 1.00 94.33 C +ATOM 3 C GLY A 1 26.508 -24.581 -5.996 1.00 94.57 C +ATOM 4 O GLY A 1 26.113 -24.389 -7.147 1.00 92.53 O +ATOM 5 N ALA A 2 25.719 -24.557 -4.949 1.00 95.73 N +ATOM 6 CA ALA A 2 24.284 -24.338 -5.063 1.00 96.39 C +ATOM 7 C ALA A 2 23.982 -22.880 -5.356 1.00 96.78 C +ATOM 8 O ALA A 2 24.695 -21.982 -4.919 1.00 95.29 O +ATOM 9 CB ALA A 2 23.589 -24.761 -3.783 1.00 94.33 C +HETATM 10 N HYP A 3 22.981 -22.654 -6.122 1.00 96.95 N +HETATM 11 CA HYP A 3 22.482 -21.312 -6.388 1.00 97.47 C +HETATM 12 C HYP A 3 22.060 -20.564 -5.091 1.00 97.76 C +HETATM 13 O HYP A 3 21.649 -21.200 -4.111 1.00 96.97 O +HETATM 14 CB HYP A 3 21.243 -21.513 -7.284 1.00 96.59 C +HETATM 15 CG HYP A 3 21.445 -22.851 -7.898 1.00 95.54 C +HETATM 16 CD HYP A 3 22.184 -23.653 -6.817 1.00 95.57 C +HETATM 17 OD1 HYP A 3 22.246 -22.815 -9.041 1.00 95.93 O +ATOM 18 N GLY A 4 22.161 -19.248 -5.126 1.00 95.73 N +ATOM 19 CA GLY A 4 21.785 -18.456 -3.978 1.00 95.08 C +ATOM 20 C GLY A 4 20.304 -18.601 -3.664 1.00 95.38 C +ATOM 21 O GLY A 4 19.500 -18.944 -4.533 1.00 94.79 O +ATOM 22 N ARG A 5 19.935 -18.302 -2.406 1.00 97.09 N +ATOM 23 CA ARG A 5 18.540 -18.399 -1.984 1.00 96.74 C +ATOM 24 C ARG A 5 17.715 -17.262 -2.576 1.00 96.98 C +ATOM 25 O ARG A 5 18.217 -16.164 -2.814 1.00 96.18 O +ATOM 26 CB ARG A 5 18.432 -18.370 -0.457 1.00 95.06 C +ATOM 27 CG ARG A 5 19.035 -19.585 0.212 1.00 89.29 C +ATOM 28 CD ARG A 5 18.732 -19.584 1.692 1.00 85.77 C +ATOM 29 NE ARG A 5 19.244 -20.785 2.348 1.00 80.99 N +ATOM 30 CZ ARG A 5 18.954 -21.149 3.587 1.00 78.26 C +ATOM 31 NH1 ARG A 5 18.145 -20.414 4.339 1.00 74.53 N +ATOM 32 NH2 ARG A 5 19.470 -22.255 4.093 1.00 74.47 N +ATOM 33 N LYS A 6 16.437 -17.523 -2.811 1.00 95.82 N +ATOM 34 CA LYS A 6 15.542 -16.514 -3.345 1.00 95.81 C +ATOM 35 C LYS A 6 15.337 -15.401 -2.317 1.00 96.49 C +ATOM 36 O LYS A 6 15.340 -15.645 -1.115 1.00 95.39 O +ATOM 37 CB LYS A 6 14.192 -17.161 -3.714 1.00 93.71 C +ATOM 38 CG LYS A 6 13.230 -16.224 -4.431 1.00 86.62 C +ATOM 39 CD LYS A 6 11.971 -16.954 -4.873 1.00 84.30 C +ATOM 40 CE LYS A 6 11.033 -16.032 -5.641 1.00 77.61 C +ATOM 41 NZ LYS A 6 9.825 -16.748 -6.106 1.00 73.53 N +ATOM 42 N GLY A 7 15.175 -14.202 -2.804 1.00 96.76 N +ATOM 43 CA GLY A 7 14.980 -13.067 -1.914 1.00 96.16 C +ATOM 44 C GLY A 7 13.682 -13.139 -1.140 1.00 96.39 C +ATOM 45 O GLY A 7 12.772 -13.890 -1.494 1.00 95.91 O +ATOM 46 N ARG A 8 13.619 -12.335 -0.084 1.00 98.18 N +ATOM 47 CA ARG A 8 12.434 -12.283 0.761 1.00 98.07 C +ATOM 48 C ARG A 8 11.278 -11.656 0.017 1.00 98.29 C +ATOM 49 O ARG A 8 11.475 -10.822 -0.864 1.00 97.90 O +ATOM 50 CB ARG A 8 12.713 -11.459 2.021 1.00 97.12 C +ATOM 51 CG ARG A 8 13.791 -12.038 2.914 1.00 92.94 C +ATOM 52 CD ARG A 8 14.089 -11.082 4.057 1.00 90.62 C +ATOM 53 NE ARG A 8 12.928 -10.881 4.917 1.00 85.34 N +ATOM 54 CZ ARG A 8 12.817 -9.908 5.813 1.00 83.41 C +ATOM 55 NH1 ARG A 8 13.781 -9.017 5.977 1.00 78.81 N +ATOM 56 NH2 ARG A 8 11.725 -9.808 6.544 1.00 80.31 N +HETATM 57 N HYP A 9 10.070 -12.017 0.354 1.00 97.99 N +HETATM 58 CA HYP A 9 8.885 -11.369 -0.200 1.00 97.93 C +HETATM 59 C HYP A 9 8.826 -9.929 0.165 1.00 98.02 C +HETATM 60 O HYP A 9 9.270 -9.553 1.246 1.00 97.24 O +HETATM 61 CB HYP A 9 7.685 -12.155 0.438 1.00 96.22 C +HETATM 62 CG HYP A 9 8.297 -13.483 0.845 1.00 94.85 C +HETATM 63 CD HYP A 9 9.706 -13.136 1.219 1.00 96.32 C +HETATM 64 OD1 HYP A 9 8.308 -14.390 -0.240 1.00 93.17 O +ATOM 65 N GLY A 10 8.261 -9.100 -0.702 1.00 97.68 N +ATOM 66 CA GLY A 10 8.165 -7.683 -0.450 1.00 97.27 C +ATOM 67 C GLY A 10 7.270 -7.389 0.748 1.00 97.41 C +ATOM 68 O GLY A 10 6.425 -8.199 1.129 1.00 97.00 O +ATOM 69 N VAL A 11 7.461 -6.202 1.329 1.00 97.53 N +ATOM 70 CA VAL A 11 6.660 -5.751 2.462 1.00 97.32 C +ATOM 71 C VAL A 11 5.344 -5.186 1.945 1.00 97.65 C +ATOM 72 O VAL A 11 5.306 -4.557 0.885 1.00 97.17 O +ATOM 73 CB VAL A 11 7.421 -4.693 3.278 1.00 96.54 C +ATOM 74 CG1 VAL A 11 6.579 -4.198 4.446 1.00 92.71 C +ATOM 75 CG2 VAL A 11 8.735 -5.267 3.784 1.00 91.69 C +ATOM 76 N ALA A 12 4.261 -5.393 2.709 1.00 97.05 N +ATOM 77 CA ALA A 12 2.961 -4.869 2.317 1.00 96.93 C +ATOM 78 C ALA A 12 3.018 -3.353 2.208 1.00 97.21 C +ATOM 79 O ALA A 12 3.701 -2.686 2.991 1.00 95.86 O +ATOM 80 CB ALA A 12 1.896 -5.288 3.325 1.00 95.32 C +ATOM 81 N GLY A 13 2.326 -2.810 1.231 1.00 96.87 N +ATOM 82 CA GLY A 13 2.327 -1.378 1.032 1.00 96.29 C +ATOM 83 C GLY A 13 1.586 -0.636 2.135 1.00 96.73 C +ATOM 84 O GLY A 13 0.869 -1.243 2.925 1.00 96.93 O +ATOM 85 N PRO A 14 1.728 0.694 2.176 1.00 97.46 N +ATOM 86 CA PRO A 14 1.055 1.482 3.195 1.00 97.12 C +ATOM 87 C PRO A 14 -0.434 1.609 2.906 1.00 97.58 C +ATOM 88 O PRO A 14 -0.895 1.321 1.804 1.00 96.85 O +ATOM 89 CB PRO A 14 1.758 2.839 3.117 1.00 95.82 C +ATOM 90 CG PRO A 14 2.116 2.936 1.673 1.00 94.10 C +ATOM 91 CD PRO A 14 2.548 1.529 1.303 1.00 96.39 C +ATOM 92 N ALA A 15 -1.187 2.046 3.909 1.00 96.46 N +ATOM 93 CA ALA A 15 -2.612 2.268 3.736 1.00 96.71 C +ATOM 94 C ALA A 15 -2.829 3.343 2.681 1.00 96.99 C +ATOM 95 O ALA A 15 -2.017 4.255 2.536 1.00 95.39 O +ATOM 96 CB ALA A 15 -3.248 2.684 5.054 1.00 95.00 C +ATOM 97 N GLY A 16 -3.923 3.240 1.946 1.00 97.35 N +ATOM 98 CA GLY A 16 -4.221 4.211 0.913 1.00 96.48 C +ATOM 99 C GLY A 16 -4.596 5.567 1.485 1.00 96.93 C +ATOM 100 O GLY A 16 -4.804 5.699 2.694 1.00 97.18 O +ATOM 101 N PRO A 17 -4.695 6.583 0.625 1.00 97.21 N +ATOM 102 CA PRO A 17 -5.041 7.922 1.079 1.00 96.77 C +ATOM 103 C PRO A 17 -6.495 8.002 1.507 1.00 97.13 C +ATOM 104 O PRO A 17 -7.307 7.157 1.153 1.00 96.71 O +ATOM 105 CB PRO A 17 -4.771 8.787 -0.154 1.00 95.53 C +ATOM 106 CG PRO A 17 -5.018 7.855 -1.288 1.00 94.09 C +ATOM 107 CD PRO A 17 -4.461 6.535 -0.815 1.00 96.17 C +HETATM 108 N HYP A 18 -6.836 9.034 2.248 1.00 97.66 N +HETATM 109 CA HYP A 18 -8.188 9.304 2.648 1.00 96.97 C +HETATM 110 C HYP A 18 -9.097 9.458 1.456 1.00 97.98 C +HETATM 111 O HYP A 18 -8.639 9.939 0.409 1.00 97.17 O +HETATM 112 CB HYP A 18 -8.064 10.583 3.444 1.00 96.72 C +HETATM 113 CG HYP A 18 -6.642 10.599 3.960 1.00 94.60 C +HETATM 114 CD HYP A 18 -5.889 9.990 2.828 1.00 95.94 C +HETATM 115 OD1 HYP A 18 -6.493 9.805 5.111 1.00 95.41 O +ATOM 116 N GLY A 19 -10.333 9.054 1.557 1.00 97.20 N +ATOM 117 CA GLY A 19 -11.271 9.198 0.474 1.00 96.79 C +ATOM 118 C GLY A 19 -11.577 10.663 0.212 1.00 97.14 C +ATOM 119 O GLY A 19 -11.232 11.535 1.017 1.00 97.19 O +ATOM 120 N PRO A 20 -12.237 10.948 -0.909 1.00 96.92 N +ATOM 121 CA PRO A 20 -12.571 12.329 -1.241 1.00 96.36 C +ATOM 122 C PRO A 20 -13.647 12.876 -0.321 1.00 96.60 C +ATOM 123 O PRO A 20 -14.408 12.122 0.276 1.00 96.00 O +ATOM 124 CB PRO A 20 -13.057 12.227 -2.687 1.00 95.06 C +ATOM 125 CG PRO A 20 -13.618 10.851 -2.762 1.00 93.69 C +ATOM 126 CD PRO A 20 -12.678 10.010 -1.933 1.00 96.05 C +HETATM 127 N HYP A 21 -13.741 14.172 -0.213 1.00 97.08 N +HETATM 128 CA HYP A 21 -14.789 14.834 0.552 1.00 96.87 C +HETATM 129 C HYP A 21 -16.176 14.508 0.019 1.00 97.66 C +HETATM 130 O HYP A 21 -16.330 14.276 -1.185 1.00 97.18 O +HETATM 131 CB HYP A 21 -14.476 16.338 0.310 1.00 95.71 C +HETATM 132 CG HYP A 21 -12.993 16.405 0.039 1.00 93.54 C +HETATM 133 CD HYP A 21 -12.746 15.132 -0.726 1.00 94.76 C +HETATM 134 OD1 HYP A 21 -12.260 16.353 1.243 1.00 94.43 O +ATOM 135 N GLY A 22 -17.160 14.462 0.873 1.00 95.72 N +ATOM 136 CA GLY A 22 -18.507 14.183 0.454 1.00 95.07 C +ATOM 137 C GLY A 22 -19.054 15.319 -0.392 1.00 95.53 C +ATOM 138 O GLY A 22 -18.441 16.384 -0.488 1.00 95.39 O +ATOM 139 N PRO A 23 -20.217 15.112 -1.004 1.00 95.50 N +ATOM 140 CA PRO A 23 -20.809 16.142 -1.854 1.00 95.09 C +ATOM 141 C PRO A 23 -21.317 17.315 -1.030 1.00 95.30 C +ATOM 142 O PRO A 23 -21.581 17.190 0.161 1.00 94.21 O +ATOM 143 CB PRO A 23 -21.944 15.401 -2.557 1.00 93.24 C +ATOM 144 CG PRO A 23 -22.323 14.351 -1.578 1.00 91.56 C +ATOM 145 CD PRO A 23 -21.021 13.892 -0.972 1.00 94.38 C +HETATM 146 N HYP A 24 -21.489 18.461 -1.647 1.00 94.98 N +HETATM 147 CA HYP A 24 -22.008 19.642 -1.003 1.00 93.35 C +HETATM 148 C HYP A 24 -23.436 19.450 -0.491 1.00 95.07 C +HETATM 149 O HYP A 24 -24.165 18.661 -1.071 1.00 94.81 O +HETATM 150 CB HYP A 24 -22.030 20.708 -2.146 1.00 92.77 C +HETATM 151 CG HYP A 24 -20.991 20.257 -3.124 1.00 90.04 C +HETATM 152 CD HYP A 24 -21.063 18.729 -3.036 1.00 92.07 C +HETATM 153 OD1 HYP A 24 -19.687 20.658 -2.731 1.00 90.52 O +ATOM 154 N GLY A 25 -23.781 20.078 0.584 1.00 91.52 N +ATOM 155 CA GLY A 25 -25.118 19.974 1.114 1.00 91.08 C +ATOM 156 C GLY A 25 -26.123 20.605 0.161 1.00 92.04 C +ATOM 157 O GLY A 25 -25.746 21.284 -0.795 1.00 91.39 O +ATOM 158 N PRO A 26 -27.421 20.427 0.425 1.00 90.70 N +ATOM 159 CA PRO A 26 -28.449 20.990 -0.442 1.00 90.85 C +ATOM 160 C PRO A 26 -28.484 22.505 -0.341 1.00 90.80 C +ATOM 161 O PRO A 26 -28.096 23.081 0.672 1.00 87.36 O +ATOM 162 CB PRO A 26 -29.736 20.349 0.067 1.00 87.61 C +ATOM 163 CG PRO A 26 -29.443 20.091 1.505 1.00 85.01 C +ATOM 164 CD PRO A 26 -27.998 19.677 1.529 1.00 88.23 C +HETATM 165 N HYP A 27 -28.988 23.160 -1.340 1.00 92.47 N +HETATM 166 CA HYP A 27 -29.015 24.652 -1.280 1.00 88.64 C +HETATM 167 C HYP A 27 -29.990 25.035 -0.148 1.00 84.37 C +HETATM 168 O HYP A 27 -29.561 25.782 0.663 1.00 89.34 O +HETATM 169 CB HYP A 27 -29.712 25.040 -2.636 1.00 85.20 C +HETATM 170 CG HYP A 27 -29.594 23.870 -3.549 1.00 83.65 C +HETATM 171 CD HYP A 27 -29.487 22.650 -2.620 1.00 89.14 C +HETATM 172 OD1 HYP A 27 -28.390 23.979 -4.279 1.00 82.87 O +HETATM 173 OXT HYP A 27 -31.132 24.505 -0.105 1.00 87.87 O +TER 174 HYP A 27 +END diff --git a/protein_pdb_614.txt b/protein_pdb_614.txt new file mode 100644 index 0000000000000000000000000000000000000000..94507b5dc1d607cdb11eec82b6c6ed354ee110cf --- /dev/null +++ b/protein_pdb_614.txt @@ -0,0 +1,168 @@ +ATOM 1 N GLY A 1 -0.915 15.857 -3.298 1.00 96.21 N +ATOM 2 CA GLY A 1 -1.390 15.060 -2.223 1.00 96.51 C +ATOM 3 C GLY A 1 -0.312 14.228 -1.561 1.00 96.94 C +ATOM 4 O GLY A 1 0.790 14.084 -2.079 1.00 96.11 O +ATOM 5 N PRO A 2 -0.632 13.691 -0.453 1.00 96.64 N +ATOM 6 CA PRO A 2 0.302 12.855 0.279 1.00 96.75 C +ATOM 7 C PRO A 2 0.416 11.477 -0.357 1.00 96.91 C +ATOM 8 O PRO A 2 -0.386 11.106 -1.206 1.00 96.35 O +ATOM 9 CB PRO A 2 -0.333 12.778 1.665 1.00 95.47 C +ATOM 10 CG PRO A 2 -1.785 12.867 1.379 1.00 92.96 C +ATOM 11 CD PRO A 2 -1.904 13.834 0.232 1.00 95.50 C +HETATM 12 N HYP A 3 1.433 10.766 0.088 1.00 96.48 N +HETATM 13 CA HYP A 3 1.587 9.392 -0.414 1.00 95.06 C +HETATM 14 C HYP A 3 0.399 8.547 -0.123 1.00 97.45 C +HETATM 15 O HYP A 3 -0.275 8.793 0.905 1.00 97.26 O +HETATM 16 CB HYP A 3 2.816 8.885 0.382 1.00 94.89 C +HETATM 17 CG HYP A 3 3.592 10.124 0.668 1.00 92.69 C +HETATM 18 CD HYP A 3 2.476 11.149 0.952 1.00 94.66 C +HETATM 19 OD1 HYP A 3 4.265 10.469 -0.494 1.00 94.53 O +ATOM 20 N GLY A 4 0.113 7.637 -0.997 1.00 96.73 N +ATOM 21 CA GLY A 4 -0.981 6.727 -0.796 1.00 96.48 C +ATOM 22 C GLY A 4 -0.690 5.769 0.340 1.00 96.60 C +ATOM 23 O GLY A 4 0.447 5.658 0.805 1.00 96.86 O +ATOM 24 N PRO A 5 -1.709 5.061 0.802 1.00 96.80 N +ATOM 25 CA PRO A 5 -1.530 4.122 1.898 1.00 96.89 C +ATOM 26 C PRO A 5 -0.751 2.895 1.453 1.00 96.82 C +ATOM 27 O PRO A 5 -0.641 2.613 0.267 1.00 96.54 O +ATOM 28 CB PRO A 5 -2.956 3.765 2.295 1.00 95.97 C +ATOM 29 CG PRO A 5 -3.710 3.918 1.024 1.00 94.40 C +ATOM 30 CD PRO A 5 -3.082 5.085 0.329 1.00 96.17 C +HETATM 31 N HYP A 6 -0.208 2.199 2.440 1.00 96.15 N +HETATM 32 CA HYP A 6 0.442 0.946 2.137 1.00 96.29 C +HETATM 33 C HYP A 6 -0.471 -0.035 1.498 1.00 96.57 C +HETATM 34 O HYP A 6 -1.693 0.002 1.745 1.00 96.22 O +HETATM 35 CB HYP A 6 0.851 0.422 3.540 1.00 94.47 C +HETATM 36 CG HYP A 6 1.005 1.655 4.336 1.00 94.22 C +HETATM 37 CD HYP A 6 -0.120 2.519 3.824 1.00 95.05 C +HETATM 38 OD1 HYP A 6 2.230 2.249 4.040 1.00 93.84 O +ATOM 39 N GLY A 7 0.071 -0.859 0.667 1.00 96.40 N +ATOM 40 CA GLY A 7 -0.696 -1.904 0.052 1.00 96.35 C +ATOM 41 C GLY A 7 -1.195 -2.876 1.099 1.00 96.71 C +ATOM 42 O GLY A 7 -0.726 -2.892 2.230 1.00 96.49 O +ATOM 43 N PRO A 8 -2.159 -3.695 0.733 1.00 97.01 N +ATOM 44 CA PRO A 8 -2.715 -4.644 1.679 1.00 97.18 C +ATOM 45 C PRO A 8 -1.768 -5.793 1.960 1.00 97.14 C +ATOM 46 O PRO A 8 -0.892 -6.109 1.156 1.00 96.56 O +ATOM 47 CB PRO A 8 -3.980 -5.135 0.984 1.00 96.33 C +ATOM 48 CG PRO A 8 -3.632 -5.030 -0.454 1.00 95.10 C +ATOM 49 CD PRO A 8 -2.788 -3.784 -0.563 1.00 96.53 C +HETATM 50 N HYP A 9 -2.006 -6.409 3.149 1.00 96.47 N +HETATM 51 CA HYP A 9 -1.257 -7.587 3.443 1.00 96.57 C +HETATM 52 C HYP A 9 -1.684 -8.682 2.530 1.00 96.66 C +HETATM 53 O HYP A 9 -2.837 -8.747 2.112 1.00 95.95 O +HETATM 54 CB HYP A 9 -1.743 -8.038 4.837 1.00 94.27 C +HETATM 55 CG HYP A 9 -2.237 -6.817 5.447 1.00 94.12 C +HETATM 56 CD HYP A 9 -2.834 -6.067 4.328 1.00 95.31 C +HETATM 57 OD1 HYP A 9 -1.140 -6.102 5.948 1.00 93.35 O +ATOM 58 N GLY A 10 -0.890 -9.583 2.170 1.00 95.77 N +ATOM 59 CA GLY A 10 -1.258 -10.748 1.405 1.00 94.69 C +ATOM 60 C GLY A 10 -0.589 -11.970 1.977 1.00 94.50 C +ATOM 61 O GLY A 10 0.427 -11.881 2.665 1.00 93.72 O +ATOM 62 N TRP A 11 -1.147 -13.123 1.666 1.00 95.46 N +ATOM 63 CA TRP A 11 -0.520 -14.357 2.124 1.00 95.19 C +ATOM 64 C TRP A 11 0.860 -14.526 1.499 1.00 94.67 C +ATOM 65 O TRP A 11 1.683 -15.284 2.010 1.00 93.68 O +ATOM 66 CB TRP A 11 -1.399 -15.561 1.805 1.00 94.64 C +ATOM 67 CG TRP A 11 -1.592 -15.826 0.347 1.00 91.37 C +ATOM 68 CD1 TRP A 11 -2.628 -15.406 -0.428 1.00 91.15 C +ATOM 69 CD2 TRP A 11 -0.729 -16.588 -0.518 1.00 91.32 C +ATOM 70 NE1 TRP A 11 -2.469 -15.848 -1.719 1.00 86.92 N +ATOM 71 CE2 TRP A 11 -1.311 -16.571 -1.802 1.00 89.70 C +ATOM 72 CE3 TRP A 11 0.461 -17.273 -0.325 1.00 88.97 C +ATOM 73 CZ2 TRP A 11 -0.723 -17.222 -2.899 1.00 92.02 C +ATOM 74 CZ3 TRP A 11 1.048 -17.918 -1.411 1.00 85.67 C +ATOM 75 CH2 TRP A 11 0.458 -17.882 -2.672 1.00 85.54 C +ATOM 76 N TRP A 12 1.104 -13.815 0.396 1.00 93.97 N +ATOM 77 CA TRP A 12 2.356 -13.908 -0.338 1.00 93.91 C +ATOM 78 C TRP A 12 3.452 -13.032 0.265 1.00 94.41 C +ATOM 79 O TRP A 12 4.605 -13.185 -0.119 1.00 92.70 O +ATOM 80 CB TRP A 12 2.126 -13.519 -1.794 1.00 92.78 C +ATOM 81 CG TRP A 12 1.769 -12.075 -1.973 1.00 88.77 C +ATOM 82 CD1 TRP A 12 2.613 -11.030 -2.139 1.00 87.79 C +ATOM 83 CD2 TRP A 12 0.445 -11.510 -1.984 1.00 86.56 C +ATOM 84 NE1 TRP A 12 1.922 -9.853 -2.245 1.00 81.02 N +ATOM 85 CE2 TRP A 12 0.587 -10.115 -2.149 1.00 83.92 C +ATOM 86 CE3 TRP A 12 -0.831 -12.048 -1.863 1.00 81.98 C +ATOM 87 CZ2 TRP A 12 -0.514 -9.257 -2.197 1.00 86.37 C +ATOM 88 CZ3 TRP A 12 -1.923 -11.200 -1.913 1.00 80.55 C +ATOM 89 CH2 TRP A 12 -1.761 -9.817 -2.074 1.00 79.21 C +ATOM 90 N GLY A 13 3.130 -12.105 1.133 1.00 96.14 N +ATOM 91 CA GLY A 13 4.169 -11.245 1.660 1.00 95.92 C +ATOM 92 C GLY A 13 3.639 -10.090 2.473 1.00 96.52 C +ATOM 93 O GLY A 13 2.454 -10.021 2.794 1.00 96.24 O +ATOM 94 N PRO A 14 4.529 -9.166 2.827 1.00 97.23 N +ATOM 95 CA PRO A 14 4.177 -8.029 3.669 1.00 97.28 C +ATOM 96 C PRO A 14 3.334 -7.012 2.928 1.00 97.32 C +ATOM 97 O PRO A 14 3.110 -7.124 1.726 1.00 96.98 O +ATOM 98 CB PRO A 14 5.538 -7.448 4.052 1.00 96.51 C +ATOM 99 CG PRO A 14 6.395 -7.761 2.880 1.00 95.13 C +ATOM 100 CD PRO A 14 5.937 -9.119 2.415 1.00 96.50 C +HETATM 101 N HYP A 15 2.895 -5.979 3.676 1.00 96.96 N +HETATM 102 CA HYP A 15 2.145 -4.947 3.048 1.00 97.26 C +HETATM 103 C HYP A 15 2.889 -4.308 1.916 1.00 97.79 C +HETATM 104 O HYP A 15 4.149 -4.218 1.982 1.00 96.69 O +HETATM 105 CB HYP A 15 1.946 -3.932 4.191 1.00 95.48 C +HETATM 106 CG HYP A 15 1.983 -4.804 5.415 1.00 93.88 C +HETATM 107 CD HYP A 15 3.056 -5.810 5.086 1.00 95.53 C +HETATM 108 OD1 HYP A 15 0.758 -5.443 5.557 1.00 93.57 O +ATOM 109 N GLY A 16 2.190 -3.908 0.906 1.00 97.44 N +ATOM 110 CA GLY A 16 2.802 -3.234 -0.201 1.00 97.25 C +ATOM 111 C GLY A 16 3.339 -1.880 0.210 1.00 97.41 C +ATOM 112 O GLY A 16 3.050 -1.388 1.304 1.00 97.21 O +ATOM 113 N PRO A 17 4.128 -1.270 -0.657 1.00 96.72 N +ATOM 114 CA PRO A 17 4.693 0.039 -0.353 1.00 96.68 C +ATOM 115 C PRO A 17 3.635 1.125 -0.419 1.00 96.90 C +ATOM 116 O PRO A 17 2.560 0.930 -0.980 1.00 96.50 O +ATOM 117 CB PRO A 17 5.749 0.221 -1.435 1.00 95.73 C +ATOM 118 CG PRO A 17 5.210 -0.554 -2.585 1.00 94.01 C +ATOM 119 CD PRO A 17 4.541 -1.752 -1.974 1.00 95.64 C +HETATM 120 N HYP A 18 3.953 2.280 0.180 1.00 95.18 N +HETATM 121 CA HYP A 18 3.104 3.382 0.059 1.00 95.09 C +HETATM 122 C HYP A 18 2.874 3.804 -1.362 1.00 96.45 C +HETATM 123 O HYP A 18 3.767 3.631 -2.216 1.00 96.14 O +HETATM 124 CB HYP A 18 3.848 4.490 0.820 1.00 93.47 C +HETATM 125 CG HYP A 18 4.666 3.732 1.820 1.00 92.78 C +HETATM 126 CD HYP A 18 5.065 2.512 1.033 1.00 94.64 C +HETATM 127 OD1 HYP A 18 3.856 3.347 2.909 1.00 92.24 O +ATOM 128 N GLY A 19 1.713 4.292 -1.649 1.00 96.22 N +ATOM 129 CA GLY A 19 1.415 4.772 -2.968 1.00 96.06 C +ATOM 130 C GLY A 19 2.203 6.026 -3.278 1.00 96.10 C +ATOM 131 O GLY A 19 2.816 6.625 -2.398 1.00 96.35 O +ATOM 132 N PRO A 20 2.204 6.431 -4.529 1.00 96.30 N +ATOM 133 CA PRO A 20 2.931 7.629 -4.922 1.00 96.36 C +ATOM 134 C PRO A 20 2.248 8.884 -4.404 1.00 96.44 C +ATOM 135 O PRO A 20 1.074 8.855 -4.033 1.00 96.23 O +ATOM 136 CB PRO A 20 2.907 7.572 -6.447 1.00 95.24 C +ATOM 137 CG PRO A 20 1.651 6.841 -6.744 1.00 93.35 C +ATOM 138 CD PRO A 20 1.521 5.813 -5.655 1.00 95.37 C +HETATM 139 N HYP A 21 3.032 9.985 -4.365 1.00 95.56 N +HETATM 140 CA HYP A 21 2.436 11.220 -4.001 1.00 95.07 C +HETATM 141 C HYP A 21 1.290 11.623 -4.891 1.00 95.86 C +HETATM 142 O HYP A 21 1.332 11.336 -6.082 1.00 96.28 O +HETATM 143 CB HYP A 21 3.565 12.251 -4.114 1.00 93.56 C +HETATM 144 CG HYP A 21 4.794 11.445 -3.891 1.00 92.75 C +HETATM 145 CD HYP A 21 4.468 10.117 -4.544 1.00 93.93 C +HETATM 146 OD1 HYP A 21 4.938 11.242 -2.492 1.00 92.89 O +ATOM 147 N GLY A 22 0.252 12.179 -4.313 1.00 95.62 N +ATOM 148 CA GLY A 22 -0.877 12.633 -5.069 1.00 94.65 C +ATOM 149 C GLY A 22 -0.534 13.906 -5.821 1.00 94.51 C +ATOM 150 O GLY A 22 0.514 14.511 -5.596 1.00 94.52 O +ATOM 151 N PRO A 23 -1.423 14.366 -6.711 1.00 96.30 N +ATOM 152 CA PRO A 23 -1.179 15.590 -7.462 1.00 95.99 C +ATOM 153 C PRO A 23 -1.430 16.807 -6.581 1.00 95.33 C +ATOM 154 O PRO A 23 -2.569 17.196 -6.361 1.00 93.27 O +ATOM 155 CB PRO A 23 -2.182 15.502 -8.605 1.00 94.31 C +ATOM 156 CG PRO A 23 -3.302 14.697 -8.039 1.00 92.10 C +ATOM 157 CD PRO A 23 -2.658 13.723 -7.070 1.00 95.34 C +HETATM 158 N HYP A 24 -0.459 17.299 -5.985 1.00 97.16 N +HETATM 159 CA HYP A 24 -0.218 17.983 -4.731 1.00 94.33 C +HETATM 160 C HYP A 24 -0.559 17.453 -3.485 1.00 97.15 C +HETATM 161 O HYP A 24 -0.572 17.967 -2.465 1.00 95.97 O +HETATM 162 CB HYP A 24 0.183 19.360 -4.932 1.00 94.15 C +HETATM 163 CG HYP A 24 0.153 19.533 -6.447 1.00 94.33 C +HETATM 164 CD HYP A 24 -0.341 18.197 -7.014 1.00 95.86 C +HETATM 165 OD1 HYP A 24 1.446 19.773 -6.959 1.00 94.03 O +HETATM 166 OXT HYP A 24 -0.555 17.778 -2.429 1.00 92.21 O +TER 167 HYP A 24 +END diff --git a/protein_pdb_615.txt b/protein_pdb_615.txt new file mode 100644 index 0000000000000000000000000000000000000000..04223a5882caa6f1e8cb779bf182f914d024d9fe --- /dev/null +++ b/protein_pdb_615.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 31.152 -14.669 6.806 1.00 91.11 N +ATOM 2 CA GLY A 1 29.961 -15.435 6.453 1.00 92.44 C +ATOM 3 C GLY A 1 29.202 -14.780 5.321 1.00 93.93 C +ATOM 4 O GLY A 1 29.550 -13.683 4.880 1.00 91.99 O +ATOM 5 N PRO A 2 28.177 -15.418 4.819 1.00 94.31 N +ATOM 6 CA PRO A 2 27.384 -14.845 3.733 1.00 95.19 C +ATOM 7 C PRO A 2 26.574 -13.645 4.215 1.00 95.83 C +ATOM 8 O PRO A 2 26.378 -13.450 5.406 1.00 94.00 O +ATOM 9 CB PRO A 2 26.475 -15.996 3.296 1.00 93.12 C +ATOM 10 CG PRO A 2 26.350 -16.846 4.510 1.00 90.45 C +ATOM 11 CD PRO A 2 27.661 -16.719 5.240 1.00 92.48 C +HETATM 12 N HYP A 3 26.132 -12.860 3.298 1.00 96.37 N +HETATM 13 CA HYP A 3 25.245 -11.750 3.588 1.00 96.05 C +HETATM 14 C HYP A 3 24.032 -12.207 4.347 1.00 96.85 C +HETATM 15 O HYP A 3 23.525 -13.308 4.091 1.00 96.24 O +HETATM 16 CB HYP A 3 24.884 -11.167 2.255 1.00 95.90 C +HETATM 17 CG HYP A 3 25.962 -11.592 1.355 1.00 94.92 C +HETATM 18 CD HYP A 3 26.370 -12.952 1.890 1.00 95.78 C +HETATM 19 OD1 HYP A 3 27.043 -10.710 1.437 1.00 94.52 O +ATOM 20 N GLY A 4 23.555 -11.319 5.217 1.00 97.20 N +ATOM 21 CA GLY A 4 22.329 -11.613 5.925 1.00 97.05 C +ATOM 22 C GLY A 4 21.149 -11.625 4.975 1.00 97.34 C +ATOM 23 O GLY A 4 21.264 -11.259 3.800 1.00 96.85 O +ATOM 24 N PRO A 5 20.003 -12.039 5.472 1.00 96.80 N +ATOM 25 CA PRO A 5 18.815 -12.080 4.621 1.00 96.68 C +ATOM 26 C PRO A 5 18.320 -10.681 4.288 1.00 96.91 C +ATOM 27 O PRO A 5 18.642 -9.714 4.967 1.00 96.23 O +ATOM 28 CB PRO A 5 17.798 -12.861 5.457 1.00 95.45 C +ATOM 29 CG PRO A 5 18.215 -12.587 6.861 1.00 93.98 C +ATOM 30 CD PRO A 5 19.717 -12.465 6.837 1.00 95.91 C +HETATM 31 N HYP A 6 17.547 -10.557 3.236 1.00 97.59 N +HETATM 32 CA HYP A 6 16.866 -9.313 2.923 1.00 97.15 C +HETATM 33 C HYP A 6 16.034 -8.814 4.057 1.00 97.66 C +HETATM 34 O HYP A 6 15.494 -9.644 4.800 1.00 96.71 O +HETATM 35 CB HYP A 6 16.044 -9.646 1.704 1.00 96.12 C +HETATM 36 CG HYP A 6 16.734 -10.808 1.095 1.00 95.49 C +HETATM 37 CD HYP A 6 17.283 -11.540 2.268 1.00 96.58 C +HETATM 38 OD1 HYP A 6 17.787 -10.368 0.266 1.00 93.93 O +ATOM 39 N GLY A 7 15.925 -7.512 4.153 1.00 97.41 N +ATOM 40 CA GLY A 7 15.072 -6.936 5.168 1.00 97.36 C +ATOM 41 C GLY A 7 13.620 -7.301 4.927 1.00 97.72 C +ATOM 42 O GLY A 7 13.261 -7.847 3.882 1.00 97.49 O +ATOM 43 N PRO A 8 12.781 -6.987 5.899 1.00 97.32 N +ATOM 44 CA PRO A 8 11.361 -7.304 5.744 1.00 97.36 C +ATOM 45 C PRO A 8 10.719 -6.445 4.661 1.00 97.61 C +ATOM 46 O PRO A 8 11.205 -5.365 4.334 1.00 97.20 O +ATOM 47 CB PRO A 8 10.772 -7.005 7.116 1.00 96.56 C +ATOM 48 CG PRO A 8 11.714 -6.037 7.725 1.00 95.30 C +ATOM 49 CD PRO A 8 13.076 -6.336 7.166 1.00 96.80 C +HETATM 50 N HYP A 9 9.618 -6.883 4.071 1.00 97.57 N +HETATM 51 CA HYP A 9 8.854 -6.142 3.141 1.00 97.29 C +HETATM 52 C HYP A 9 8.381 -4.849 3.722 1.00 97.82 C +HETATM 53 O HYP A 9 8.089 -4.811 4.934 1.00 97.15 O +HETATM 54 CB HYP A 9 7.668 -7.029 2.804 1.00 96.33 C +HETATM 55 CG HYP A 9 8.204 -8.373 3.051 1.00 95.51 C +HETATM 56 CD HYP A 9 9.113 -8.175 4.218 1.00 96.53 C +HETATM 57 OD1 HYP A 9 8.971 -8.794 1.942 1.00 94.29 O +ATOM 58 N ALA A 10 8.315 -3.818 2.865 1.00 97.66 N +ATOM 59 CA ALA A 10 7.773 -2.555 3.308 1.00 97.47 C +ATOM 60 C ALA A 10 6.320 -2.744 3.721 1.00 97.85 C +ATOM 61 O ALA A 10 5.633 -3.637 3.217 1.00 97.26 O +ATOM 62 CB ALA A 10 7.862 -1.525 2.187 1.00 96.44 C +ATOM 63 N PRO A 11 5.837 -1.911 4.633 1.00 97.64 N +ATOM 64 CA PRO A 11 4.435 -2.023 5.021 1.00 97.66 C +ATOM 65 C PRO A 11 3.517 -1.646 3.869 1.00 97.83 C +ATOM 66 O PRO A 11 3.921 -0.951 2.942 1.00 97.36 O +ATOM 67 CB PRO A 11 4.296 -1.063 6.201 1.00 96.70 C +ATOM 68 CG PRO A 11 5.480 -0.200 6.160 1.00 95.10 C +ATOM 69 CD PRO A 11 6.544 -0.871 5.372 1.00 96.89 C +HETATM 70 N HYP A 12 2.275 -2.093 3.892 1.00 97.68 N +HETATM 71 CA HYP A 12 1.296 -1.697 2.930 1.00 97.46 C +HETATM 72 C HYP A 12 1.119 -0.227 2.859 1.00 97.88 C +HETATM 73 O HYP A 12 1.251 0.468 3.882 1.00 96.66 O +HETATM 74 CB HYP A 12 0.013 -2.389 3.406 1.00 96.29 C +HETATM 75 CG HYP A 12 0.495 -3.514 4.235 1.00 94.84 C +HETATM 76 CD HYP A 12 1.736 -2.994 4.823 1.00 96.31 C +HETATM 77 OD1 HYP A 12 0.831 -4.628 3.412 1.00 93.58 O +ATOM 78 N GLY A 13 0.858 0.262 1.658 1.00 97.61 N +ATOM 79 CA GLY A 13 0.579 1.665 1.491 1.00 97.59 C +ATOM 80 C GLY A 13 -0.733 2.044 2.160 1.00 97.84 C +ATOM 81 O GLY A 13 -1.477 1.186 2.643 1.00 97.59 O +ATOM 82 N PRO A 14 -1.022 3.336 2.186 1.00 97.43 N +ATOM 83 CA PRO A 14 -2.271 3.788 2.802 1.00 97.47 C +ATOM 84 C PRO A 14 -3.474 3.387 1.965 1.00 97.51 C +ATOM 85 O PRO A 14 -3.352 3.083 0.782 1.00 96.94 O +ATOM 86 CB PRO A 14 -2.102 5.310 2.851 1.00 96.52 C +ATOM 87 CG PRO A 14 -1.163 5.613 1.751 1.00 95.21 C +ATOM 88 CD PRO A 14 -0.231 4.434 1.645 1.00 96.84 C +HETATM 89 N HYP A 15 -4.657 3.365 2.558 1.00 97.47 N +HETATM 90 CA HYP A 15 -5.876 3.142 1.832 1.00 97.26 C +HETATM 91 C HYP A 15 -6.054 4.122 0.720 1.00 97.78 C +HETATM 92 O HYP A 15 -5.688 5.302 0.855 1.00 96.70 O +HETATM 93 CB HYP A 15 -6.970 3.266 2.864 1.00 96.27 C +HETATM 94 CG HYP A 15 -6.276 3.015 4.147 1.00 95.07 C +HETATM 95 CD HYP A 15 -4.898 3.523 3.930 1.00 96.36 C +HETATM 96 OD1 HYP A 15 -6.182 1.627 4.405 1.00 93.43 O +ATOM 97 N GLY A 16 -6.627 3.657 -0.390 1.00 97.33 N +ATOM 98 CA GLY A 16 -6.941 4.536 -1.485 1.00 97.25 C +ATOM 99 C GLY A 16 -8.001 5.546 -1.077 1.00 97.54 C +ATOM 100 O GLY A 16 -8.629 5.434 -0.023 1.00 97.33 O +ATOM 101 N PRO A 17 -8.204 6.539 -1.922 1.00 97.11 N +ATOM 102 CA PRO A 17 -9.207 7.555 -1.611 1.00 96.95 C +ATOM 103 C PRO A 17 -10.612 6.985 -1.713 1.00 96.93 C +ATOM 104 O PRO A 17 -10.841 5.964 -2.351 1.00 95.98 O +ATOM 105 CB PRO A 17 -8.960 8.630 -2.668 1.00 96.01 C +ATOM 106 CG PRO A 17 -8.365 7.884 -3.807 1.00 94.90 C +ATOM 107 CD PRO A 17 -7.544 6.776 -3.203 1.00 96.61 C +HETATM 108 N HYP A 18 -11.579 7.615 -1.083 1.00 97.19 N +HETATM 109 CA HYP A 18 -12.959 7.272 -1.251 1.00 96.86 C +HETATM 110 C HYP A 18 -13.385 7.309 -2.680 1.00 97.37 C +HETATM 111 O HYP A 18 -12.916 8.171 -3.446 1.00 96.47 O +HETATM 112 CB HYP A 18 -13.695 8.291 -0.412 1.00 96.10 C +HETATM 113 CG HYP A 18 -12.694 8.744 0.607 1.00 95.24 C +HETATM 114 CD HYP A 18 -11.385 8.650 -0.134 1.00 96.47 C +HETATM 115 OD1 HYP A 18 -12.631 7.845 1.705 1.00 93.71 O +ATOM 116 N GLY A 19 -14.268 6.386 -3.059 1.00 96.64 N +ATOM 117 CA GLY A 19 -14.824 6.406 -4.388 1.00 96.47 C +ATOM 118 C GLY A 19 -15.652 7.662 -4.608 1.00 96.84 C +ATOM 119 O GLY A 19 -15.967 8.395 -3.665 1.00 96.37 O +ATOM 120 N PRO A 20 -16.014 7.909 -5.843 1.00 96.10 N +ATOM 121 CA PRO A 20 -16.799 9.101 -6.140 1.00 95.97 C +ATOM 122 C PRO A 20 -18.222 8.969 -5.615 1.00 95.84 C +ATOM 123 O PRO A 20 -18.708 7.871 -5.371 1.00 94.51 O +ATOM 124 CB PRO A 20 -16.769 9.169 -7.670 1.00 94.52 C +ATOM 125 CG PRO A 20 -16.600 7.753 -8.086 1.00 93.03 C +ATOM 126 CD PRO A 20 -15.731 7.114 -7.034 1.00 95.44 C +HETATM 127 N HYP A 21 -18.920 10.060 -5.441 1.00 96.26 N +HETATM 128 CA HYP A 21 -20.284 10.063 -5.069 1.00 95.99 C +HETATM 129 C HYP A 21 -21.135 9.303 -6.062 1.00 96.75 C +HETATM 130 O HYP A 21 -20.839 9.340 -7.260 1.00 95.72 O +HETATM 131 CB HYP A 21 -20.679 11.542 -5.091 1.00 95.00 C +HETATM 132 CG HYP A 21 -19.406 12.269 -4.844 1.00 93.92 C +HETATM 133 CD HYP A 21 -18.384 11.395 -5.525 1.00 95.22 C +HETATM 134 OD1 HYP A 21 -19.090 12.288 -3.444 1.00 92.54 O +ATOM 135 N GLY A 22 -22.172 8.632 -5.572 1.00 94.44 N +ATOM 136 CA GLY A 22 -23.087 7.971 -6.461 1.00 94.05 C +ATOM 137 C GLY A 22 -23.815 8.984 -7.340 1.00 94.64 C +ATOM 138 O GLY A 22 -23.743 10.193 -7.112 1.00 93.66 O +ATOM 139 N PRO A 23 -24.538 8.502 -8.334 1.00 94.40 N +ATOM 140 CA PRO A 23 -25.244 9.415 -9.226 1.00 94.35 C +ATOM 141 C PRO A 23 -26.387 10.103 -8.504 1.00 94.10 C +ATOM 142 O PRO A 23 -26.936 9.582 -7.537 1.00 91.42 O +ATOM 143 CB PRO A 23 -25.746 8.508 -10.349 1.00 92.27 C +ATOM 144 CG PRO A 23 -25.824 7.166 -9.730 1.00 90.28 C +ATOM 145 CD PRO A 23 -24.736 7.100 -8.699 1.00 93.07 C +HETATM 146 N HYP A 24 -26.818 11.250 -8.972 1.00 94.87 N +HETATM 147 CA HYP A 24 -27.952 11.882 -8.378 1.00 94.33 C +HETATM 148 C HYP A 24 -29.164 10.988 -8.569 1.00 92.85 C +HETATM 149 O HYP A 24 -29.297 10.446 -9.673 1.00 90.41 O +HETATM 150 CB HYP A 24 -28.150 13.187 -9.162 1.00 93.44 C +HETATM 151 CG HYP A 24 -26.817 13.494 -9.785 1.00 92.59 C +HETATM 152 CD HYP A 24 -26.186 12.115 -9.961 1.00 93.69 C +HETATM 153 OD1 HYP A 24 -26.040 14.196 -8.836 1.00 89.24 O +HETATM 154 OXT HYP A 24 -29.897 10.895 -7.582 1.00 85.66 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_616.txt b/protein_pdb_616.txt new file mode 100644 index 0000000000000000000000000000000000000000..1d8624c6d1d14f81880d3d1832515e9bb9d335da --- /dev/null +++ b/protein_pdb_616.txt @@ -0,0 +1,187 @@ +ATOM 1 N GLY A 1 -21.360 5.264 -32.158 1.00 93.85 N +ATOM 2 CA GLY A 1 -21.492 5.706 -30.769 1.00 95.71 C +ATOM 3 C GLY A 1 -20.222 6.350 -30.254 1.00 95.66 C +ATOM 4 O GLY A 1 -19.179 6.273 -30.904 1.00 93.67 O +ATOM 5 N ARG A 2 -20.303 6.947 -29.076 1.00 96.97 N +ATOM 6 CA ARG A 2 -19.148 7.591 -28.458 1.00 97.08 C +ATOM 7 C ARG A 2 -18.143 6.571 -27.987 1.00 97.39 C +ATOM 8 O ARG A 2 -18.509 5.452 -27.619 1.00 96.67 O +ATOM 9 CB ARG A 2 -19.591 8.450 -27.278 1.00 95.06 C +ATOM 10 CG ARG A 2 -20.447 9.639 -27.664 1.00 87.93 C +ATOM 11 CD ARG A 2 -20.746 10.501 -26.448 1.00 85.95 C +ATOM 12 NE ARG A 2 -21.625 9.837 -25.494 1.00 80.75 N +ATOM 13 CZ ARG A 2 -22.950 9.815 -25.585 1.00 77.61 C +ATOM 14 NH1 ARG A 2 -23.570 10.413 -26.591 1.00 73.15 N +ATOM 15 NH2 ARG A 2 -23.653 9.175 -24.670 1.00 70.71 N +HETATM 16 N HYP A 3 -16.949 6.913 -28.053 1.00 97.37 N +HETATM 17 CA HYP A 3 -15.853 6.070 -27.479 1.00 97.31 C +HETATM 18 C HYP A 3 -16.051 5.751 -26.051 1.00 97.62 C +HETATM 19 O HYP A 3 -16.580 6.576 -25.284 1.00 96.55 O +HETATM 20 CB HYP A 3 -14.585 6.909 -27.743 1.00 97.02 C +HETATM 21 CG HYP A 3 -14.957 7.900 -28.842 1.00 95.95 C +HETATM 22 CD HYP A 3 -16.462 8.169 -28.589 1.00 96.01 C +HETATM 23 OD1 HYP A 3 -14.798 7.351 -30.130 1.00 95.34 O +ATOM 24 N GLY A 4 -15.609 4.538 -25.596 1.00 97.04 N +ATOM 25 CA GLY A 4 -15.762 4.101 -24.225 1.00 96.79 C +ATOM 26 C GLY A 4 -14.949 4.949 -23.256 1.00 96.81 C +ATOM 27 O GLY A 4 -13.946 5.563 -23.629 1.00 96.52 O +ATOM 28 N LYS A 5 -15.402 4.955 -21.990 1.00 97.08 N +ATOM 29 CA LYS A 5 -14.723 5.712 -20.935 1.00 96.82 C +ATOM 30 C LYS A 5 -13.456 4.994 -20.499 1.00 96.80 C +ATOM 31 O LYS A 5 -13.350 3.769 -20.592 1.00 96.07 O +ATOM 32 CB LYS A 5 -15.651 5.885 -19.734 1.00 95.45 C +ATOM 33 CG LYS A 5 -16.923 6.656 -20.048 1.00 89.64 C +ATOM 34 CD LYS A 5 -17.836 6.699 -18.848 1.00 87.46 C +ATOM 35 CE LYS A 5 -19.147 7.397 -19.174 1.00 81.37 C +ATOM 36 NZ LYS A 5 -20.078 7.391 -18.019 1.00 76.90 N +ATOM 37 N ARG A 6 -12.480 5.755 -19.967 1.00 97.12 N +ATOM 38 CA ARG A 6 -11.246 5.170 -19.460 1.00 97.29 C +ATOM 39 C ARG A 6 -11.548 4.386 -18.181 1.00 97.43 C +ATOM 40 O ARG A 6 -12.403 4.775 -17.385 1.00 96.22 O +ATOM 41 CB ARG A 6 -10.208 6.266 -19.189 1.00 95.68 C +ATOM 42 CG ARG A 6 -8.875 5.721 -18.694 1.00 90.29 C +ATOM 43 CD ARG A 6 -7.832 6.818 -18.616 1.00 86.73 C +ATOM 44 NE ARG A 6 -7.447 7.296 -19.947 1.00 81.15 N +ATOM 45 CZ ARG A 6 -6.620 8.303 -20.170 1.00 77.53 C +ATOM 46 NH1 ARG A 6 -6.072 8.958 -19.157 1.00 74.02 N +ATOM 47 NH2 ARG A 6 -6.330 8.652 -21.402 1.00 71.51 N +ATOM 48 N GLY A 7 -10.847 3.293 -18.006 1.00 97.17 N +ATOM 49 CA GLY A 7 -11.040 2.464 -16.820 1.00 96.67 C +ATOM 50 C GLY A 7 -10.663 3.177 -15.537 1.00 96.93 C +ATOM 51 O GLY A 7 -9.904 4.144 -15.544 1.00 96.90 O +ATOM 52 N LYS A 8 -11.195 2.666 -14.428 1.00 97.40 N +ATOM 53 CA LYS A 8 -10.921 3.244 -13.115 1.00 97.43 C +ATOM 54 C LYS A 8 -9.502 2.909 -12.667 1.00 97.52 C +ATOM 55 O LYS A 8 -8.942 1.884 -13.041 1.00 96.82 O +ATOM 56 CB LYS A 8 -11.921 2.706 -12.091 1.00 96.42 C +ATOM 57 CG LYS A 8 -13.369 3.042 -12.400 1.00 91.30 C +ATOM 58 CD LYS A 8 -14.309 2.401 -11.410 1.00 88.64 C +ATOM 59 CE LYS A 8 -15.767 2.684 -11.738 1.00 82.16 C +ATOM 60 NZ LYS A 8 -16.688 2.000 -10.803 1.00 77.77 N +ATOM 61 N THR A 9 -8.931 3.784 -11.832 1.00 97.10 N +ATOM 62 CA THR A 9 -7.605 3.551 -11.275 1.00 97.17 C +ATOM 63 C THR A 9 -7.681 2.394 -10.285 1.00 97.37 C +ATOM 64 O THR A 9 -8.649 2.272 -9.533 1.00 95.84 O +ATOM 65 CB THR A 9 -7.090 4.810 -10.574 1.00 95.95 C +ATOM 66 OG1 THR A 9 -7.042 5.893 -11.515 1.00 91.97 O +ATOM 67 CG2 THR A 9 -5.698 4.590 -9.998 1.00 89.90 C +ATOM 68 N GLY A 10 -6.664 1.540 -10.289 1.00 97.06 N +ATOM 69 CA GLY A 10 -6.640 0.407 -9.382 1.00 96.69 C +ATOM 70 C GLY A 10 -6.460 0.814 -7.928 1.00 96.96 C +ATOM 71 O GLY A 10 -6.118 1.958 -7.624 1.00 96.85 O +ATOM 72 N LEU A 11 -6.678 -0.157 -7.034 1.00 97.38 N +ATOM 73 CA LEU A 11 -6.543 0.082 -5.598 1.00 97.01 C +ATOM 74 C LEU A 11 -5.081 0.292 -5.232 1.00 97.22 C +ATOM 75 O LEU A 11 -4.189 -0.347 -5.790 1.00 96.21 O +ATOM 76 CB LEU A 11 -7.103 -1.095 -4.803 1.00 96.21 C +ATOM 77 CG LEU A 11 -8.592 -1.398 -5.000 1.00 91.55 C +ATOM 78 CD1 LEU A 11 -8.962 -2.679 -4.271 1.00 88.15 C +ATOM 79 CD2 LEU A 11 -9.448 -0.242 -4.510 1.00 85.96 C +ATOM 80 N LYS A 12 -4.843 1.184 -4.268 1.00 95.50 N +ATOM 81 CA LYS A 12 -3.487 1.428 -3.786 1.00 96.13 C +ATOM 82 C LYS A 12 -3.067 0.277 -2.873 1.00 96.05 C +ATOM 83 O LYS A 12 -3.868 -0.246 -2.110 1.00 94.78 O +ATOM 84 CB LYS A 12 -3.438 2.762 -3.026 1.00 94.27 C +ATOM 85 CG LYS A 12 -2.039 3.153 -2.563 1.00 91.39 C +ATOM 86 CD LYS A 12 -2.040 4.519 -1.922 1.00 87.76 C +ATOM 87 CE LYS A 12 -0.644 4.914 -1.487 1.00 81.91 C +ATOM 88 NZ LYS A 12 -0.626 6.272 -0.889 1.00 77.26 N +ATOM 89 N GLY A 13 -1.795 -0.109 -2.974 1.00 97.05 N +ATOM 90 CA GLY A 13 -1.281 -1.188 -2.138 1.00 96.68 C +ATOM 91 C GLY A 13 -1.203 -0.784 -0.671 1.00 97.01 C +ATOM 92 O GLY A 13 -1.206 0.396 -0.334 1.00 96.73 O +ATOM 93 N ASP A 14 -1.109 -1.809 0.206 1.00 97.04 N +ATOM 94 CA ASP A 14 -1.023 -1.568 1.642 1.00 96.98 C +ATOM 95 C ASP A 14 0.354 -1.054 2.029 1.00 97.40 C +ATOM 96 O ASP A 14 1.352 -1.321 1.360 1.00 96.48 O +ATOM 97 CB ASP A 14 -1.295 -2.858 2.421 1.00 95.39 C +ATOM 98 CG ASP A 14 -2.705 -3.380 2.230 1.00 91.97 C +ATOM 99 OD1 ASP A 14 -3.633 -2.568 2.044 1.00 88.39 O +ATOM 100 OD2 ASP A 14 -2.886 -4.621 2.277 1.00 86.98 O +ATOM 101 N ILE A 15 0.421 -0.323 3.150 1.00 96.79 N +ATOM 102 CA ILE A 15 1.692 0.119 3.707 1.00 96.88 C +ATOM 103 C ILE A 15 2.391 -1.115 4.267 1.00 97.24 C +ATOM 104 O ILE A 15 1.754 -1.989 4.870 1.00 96.38 O +ATOM 105 CB ILE A 15 1.463 1.174 4.806 1.00 95.77 C +ATOM 106 CG1 ILE A 15 0.832 2.437 4.200 1.00 90.14 C +ATOM 107 CG2 ILE A 15 2.774 1.519 5.505 1.00 89.03 C +ATOM 108 CD1 ILE A 15 0.380 3.458 5.216 1.00 84.61 C +ATOM 109 N GLY A 16 3.707 -1.200 4.063 1.00 97.53 N +ATOM 110 CA GLY A 16 4.463 -2.342 4.547 1.00 97.28 C +ATOM 111 C GLY A 16 4.522 -2.419 6.063 1.00 97.70 C +ATOM 112 O GLY A 16 4.188 -1.458 6.756 1.00 97.69 O +ATOM 113 N PRO A 17 4.961 -3.584 6.602 1.00 97.43 N +ATOM 114 CA PRO A 17 5.041 -3.757 8.050 1.00 97.29 C +ATOM 115 C PRO A 17 6.150 -2.908 8.657 1.00 97.63 C +ATOM 116 O PRO A 17 7.081 -2.508 7.969 1.00 97.25 O +ATOM 117 CB PRO A 17 5.331 -5.249 8.212 1.00 96.19 C +ATOM 118 CG PRO A 17 6.046 -5.611 6.955 1.00 94.64 C +ATOM 119 CD PRO A 17 5.379 -4.785 5.877 1.00 96.42 C +HETATM 120 N HYP A 18 6.070 -2.653 9.982 1.00 97.46 N +HETATM 121 CA HYP A 18 7.088 -1.949 10.701 1.00 97.09 C +HETATM 122 C HYP A 18 8.430 -2.663 10.588 1.00 97.88 C +HETATM 123 O HYP A 18 8.472 -3.889 10.465 1.00 96.74 O +HETATM 124 CB HYP A 18 6.560 -1.957 12.151 1.00 96.57 C +HETATM 125 CG HYP A 18 5.061 -2.134 12.015 1.00 95.00 C +HETATM 126 CD HYP A 18 4.928 -3.003 10.816 1.00 96.51 C +HETATM 127 OD1 HYP A 18 4.409 -0.893 11.793 1.00 93.89 O +ATOM 128 N GLY A 19 9.506 -1.925 10.584 1.00 98.03 N +ATOM 129 CA GLY A 19 10.819 -2.511 10.530 1.00 97.89 C +ATOM 130 C GLY A 19 11.142 -3.255 11.816 1.00 98.04 C +ATOM 131 O GLY A 19 10.410 -3.161 12.812 1.00 97.95 O +ATOM 132 N PRO A 20 12.260 -4.015 11.819 1.00 97.42 N +ATOM 133 CA PRO A 20 12.641 -4.778 12.999 1.00 97.16 C +ATOM 134 C PRO A 20 13.084 -3.865 14.138 1.00 97.52 C +ATOM 135 O PRO A 20 13.542 -2.752 13.908 1.00 96.87 O +ATOM 136 CB PRO A 20 13.790 -5.649 12.502 1.00 95.93 C +ATOM 137 CG PRO A 20 14.373 -4.855 11.381 1.00 94.08 C +ATOM 138 CD PRO A 20 13.188 -4.197 10.714 1.00 96.20 C +HETATM 139 N HYP A 21 12.967 -4.368 15.372 1.00 97.27 N +HETATM 140 CA HYP A 21 13.459 -3.638 16.539 1.00 96.78 C +HETATM 141 C HYP A 21 14.970 -3.393 16.435 1.00 97.76 C +HETATM 142 O HYP A 21 15.687 -4.187 15.834 1.00 96.81 O +HETATM 143 CB HYP A 21 13.171 -4.660 17.704 1.00 95.37 C +HETATM 144 CG HYP A 21 12.053 -5.560 17.220 1.00 94.06 C +HETATM 145 CD HYP A 21 12.307 -5.648 15.735 1.00 95.93 C +HETATM 146 OD1 HYP A 21 10.773 -4.972 17.437 1.00 93.30 O +ATOM 147 N GLY A 22 15.437 -2.288 16.977 1.00 97.02 N +ATOM 148 CA GLY A 22 16.841 -1.984 16.985 1.00 96.89 C +ATOM 149 C GLY A 22 17.608 -2.940 17.887 1.00 97.01 C +ATOM 150 O GLY A 22 17.014 -3.716 18.639 1.00 96.67 O +ATOM 151 N PRO A 23 18.951 -2.894 17.827 1.00 96.03 N +ATOM 152 CA PRO A 23 19.766 -3.779 18.648 1.00 95.66 C +ATOM 153 C PRO A 23 19.670 -3.425 20.121 1.00 95.93 C +ATOM 154 O PRO A 23 19.379 -2.287 20.479 1.00 94.62 O +ATOM 155 CB PRO A 23 21.177 -3.566 18.097 1.00 93.81 C +ATOM 156 CG PRO A 23 21.137 -2.176 17.549 1.00 91.84 C +ATOM 157 CD PRO A 23 19.757 -2.027 16.977 1.00 94.50 C +HETATM 158 N HYP A 24 19.944 -4.414 21.011 1.00 95.55 N +HETATM 159 CA HYP A 24 19.958 -4.162 22.441 1.00 94.97 C +HETATM 160 C HYP A 24 21.043 -3.146 22.823 1.00 95.79 C +HETATM 161 O HYP A 24 22.052 -3.038 22.162 1.00 94.62 O +HETATM 162 CB HYP A 24 20.339 -5.563 23.054 1.00 93.73 C +HETATM 163 CG HYP A 24 19.884 -6.594 22.031 1.00 91.89 C +HETATM 164 CD HYP A 24 20.101 -5.861 20.700 1.00 93.75 C +HETATM 165 OD1 HYP A 24 18.497 -6.889 22.177 1.00 90.73 O +ATOM 166 N GLY A 25 20.780 -2.356 23.855 1.00 92.53 N +ATOM 167 CA GLY A 25 21.731 -1.374 24.325 1.00 92.96 C +ATOM 168 C GLY A 25 22.977 -2.044 24.889 1.00 93.62 C +ATOM 169 O GLY A 25 22.990 -3.253 25.122 1.00 92.97 O +ATOM 170 N PRO A 26 24.048 -1.263 25.141 1.00 92.23 N +ATOM 171 CA PRO A 26 25.287 -1.823 25.672 1.00 92.29 C +ATOM 172 C PRO A 26 25.114 -2.296 27.105 1.00 92.32 C +ATOM 173 O PRO A 26 24.277 -1.773 27.842 1.00 88.71 O +ATOM 174 CB PRO A 26 26.275 -0.664 25.574 1.00 89.39 C +ATOM 175 CG PRO A 26 25.412 0.544 25.667 1.00 87.45 C +ATOM 176 CD PRO A 26 24.150 0.175 24.941 1.00 90.31 C +HETATM 177 N HYP A 27 25.913 -3.281 27.538 1.00 93.66 N +HETATM 178 CA HYP A 27 25.791 -3.739 28.915 1.00 91.11 C +HETATM 179 C HYP A 27 26.056 -2.600 29.902 1.00 87.57 C +HETATM 180 O HYP A 27 27.090 -1.919 29.781 1.00 91.01 O +HETATM 181 CB HYP A 27 26.870 -4.843 29.105 1.00 87.88 C +HETATM 182 CG HYP A 27 27.330 -5.225 27.727 1.00 85.27 C +HETATM 183 CD HYP A 27 26.944 -4.043 26.823 1.00 90.90 C +HETATM 184 OD1 HYP A 27 26.646 -6.374 27.305 1.00 84.91 O +HETATM 185 OXT HYP A 27 25.149 -2.402 30.733 1.00 88.39 O +TER 186 HYP A 27 +END diff --git a/protein_pdb_617.txt b/protein_pdb_617.txt new file mode 100644 index 0000000000000000000000000000000000000000..ba8a0d1133056d14e8e6c85fe613a7c47e9b48e9 --- /dev/null +++ b/protein_pdb_617.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 32.441 -10.262 8.345 1.00 87.94 N +ATOM 2 CA GLY A 1 31.582 -11.034 7.462 1.00 89.21 C +ATOM 3 C GLY A 1 30.927 -10.167 6.417 1.00 90.30 C +ATOM 4 O GLY A 1 31.082 -8.938 6.438 1.00 87.12 O +ATOM 5 N PRO A 2 30.221 -10.748 5.490 1.00 91.24 N +ATOM 6 CA PRO A 2 29.550 -9.977 4.446 1.00 93.15 C +ATOM 7 C PRO A 2 28.413 -9.150 5.018 1.00 93.23 C +ATOM 8 O PRO A 2 27.925 -9.409 6.110 1.00 90.92 O +ATOM 9 CB PRO A 2 29.033 -11.039 3.476 1.00 91.15 C +ATOM 10 CG PRO A 2 28.864 -12.246 4.327 1.00 87.95 C +ATOM 11 CD PRO A 2 29.952 -12.183 5.356 1.00 89.60 C +HETATM 12 N HYP A 3 28.031 -8.157 4.289 1.00 94.45 N +HETATM 13 CA HYP A 3 26.862 -7.369 4.663 1.00 94.08 C +HETATM 14 C HYP A 3 25.657 -8.237 4.853 1.00 95.08 C +HETATM 15 O HYP A 3 25.491 -9.242 4.154 1.00 92.90 O +HETATM 16 CB HYP A 3 26.702 -6.400 3.509 1.00 93.52 C +HETATM 17 CG HYP A 3 28.043 -6.304 2.881 1.00 91.63 C +HETATM 18 CD HYP A 3 28.624 -7.706 3.067 1.00 93.08 C +HETATM 19 OD1 HYP A 3 28.834 -5.386 3.573 1.00 90.84 O +ATOM 20 N GLY A 4 24.811 -7.810 5.820 1.00 94.41 N +ATOM 21 CA GLY A 4 23.584 -8.518 6.053 1.00 93.87 C +ATOM 22 C GLY A 4 22.623 -8.364 4.886 1.00 94.20 C +ATOM 23 O GLY A 4 22.869 -7.586 3.957 1.00 93.07 O +ATOM 24 N PRO A 5 21.528 -9.088 4.920 1.00 94.64 N +ATOM 25 CA PRO A 5 20.548 -8.999 3.834 1.00 94.59 C +ATOM 26 C PRO A 5 19.827 -7.659 3.854 1.00 94.50 C +ATOM 27 O PRO A 5 19.820 -6.959 4.859 1.00 93.25 O +ATOM 28 CB PRO A 5 19.597 -10.154 4.121 1.00 93.23 C +ATOM 29 CG PRO A 5 19.680 -10.326 5.599 1.00 91.37 C +ATOM 30 CD PRO A 5 21.109 -10.010 5.967 1.00 92.97 C +HETATM 31 N HYP A 6 19.237 -7.288 2.733 1.00 95.16 N +HETATM 32 CA HYP A 6 18.376 -6.121 2.699 1.00 95.25 C +HETATM 33 C HYP A 6 17.287 -6.174 3.708 1.00 95.05 C +HETATM 34 O HYP A 6 16.807 -7.281 4.036 1.00 92.90 O +HETATM 35 CB HYP A 6 17.879 -6.088 1.261 1.00 93.83 C +HETATM 36 CG HYP A 6 18.916 -6.844 0.489 1.00 91.85 C +HETATM 37 CD HYP A 6 19.383 -7.892 1.468 1.00 94.21 C +HETATM 38 OD1 HYP A 6 19.993 -6.001 0.154 1.00 91.13 O +ATOM 39 N GLY A 7 16.893 -5.002 4.211 1.00 95.03 N +ATOM 40 CA GLY A 7 15.806 -4.933 5.154 1.00 94.55 C +ATOM 41 C GLY A 7 14.503 -5.369 4.520 1.00 94.84 C +ATOM 42 O GLY A 7 14.418 -5.586 3.309 1.00 94.04 O +ATOM 43 N PRO A 8 13.478 -5.493 5.337 1.00 95.30 N +ATOM 44 CA PRO A 8 12.181 -5.915 4.813 1.00 95.45 C +ATOM 45 C PRO A 8 11.545 -4.830 3.954 1.00 95.22 C +ATOM 46 O PRO A 8 11.868 -3.655 4.076 1.00 93.78 O +ATOM 47 CB PRO A 8 11.360 -6.176 6.071 1.00 94.42 C +ATOM 48 CG PRO A 8 11.975 -5.287 7.093 1.00 93.24 C +ATOM 49 CD PRO A 8 13.444 -5.249 6.767 1.00 94.73 C +HETATM 50 N HYP A 9 10.646 -5.194 3.073 1.00 95.03 N +HETATM 51 CA HYP A 9 9.871 -4.266 2.301 1.00 94.53 C +HETATM 52 C HYP A 9 9.068 -3.328 3.185 1.00 95.80 C +HETATM 53 O HYP A 9 8.710 -3.727 4.313 1.00 91.65 O +HETATM 54 CB HYP A 9 8.918 -5.191 1.500 1.00 93.76 C +HETATM 55 CG HYP A 9 9.656 -6.472 1.425 1.00 92.90 C +HETATM 56 CD HYP A 9 10.381 -6.529 2.753 1.00 94.24 C +HETATM 57 OD1 HYP A 9 10.623 -6.423 0.390 1.00 90.29 O +ATOM 58 N SER A 10 8.863 -2.113 2.659 1.00 94.80 N +ATOM 59 CA SER A 10 8.079 -1.160 3.414 1.00 94.19 C +ATOM 60 C SER A 10 6.639 -1.660 3.522 1.00 94.47 C +ATOM 61 O SER A 10 6.202 -2.505 2.736 1.00 93.62 O +ATOM 62 CB SER A 10 8.120 0.215 2.749 1.00 92.29 C +ATOM 63 OG SER A 10 7.635 0.140 1.437 1.00 85.82 O +ATOM 64 N PRO A 11 5.899 -1.156 4.500 1.00 95.07 N +ATOM 65 CA PRO A 11 4.506 -1.583 4.658 1.00 95.12 C +ATOM 66 C PRO A 11 3.659 -1.184 3.462 1.00 95.18 C +ATOM 67 O PRO A 11 3.975 -0.238 2.753 1.00 93.69 O +ATOM 68 CB PRO A 11 4.034 -0.857 5.911 1.00 94.13 C +ATOM 69 CG PRO A 11 5.261 -0.385 6.591 1.00 92.56 C +ATOM 70 CD PRO A 11 6.299 -0.199 5.534 1.00 93.73 C +HETATM 71 N HYP A 12 2.567 -1.884 3.233 1.00 95.38 N +HETATM 72 CA HYP A 12 1.598 -1.487 2.228 1.00 95.28 C +HETATM 73 C HYP A 12 1.077 -0.093 2.441 1.00 95.89 C +HETATM 74 O HYP A 12 1.019 0.379 3.598 1.00 93.26 O +HETATM 75 CB HYP A 12 0.485 -2.518 2.443 1.00 94.10 C +HETATM 76 CG HYP A 12 1.165 -3.691 3.044 1.00 92.50 C +HETATM 77 CD HYP A 12 2.232 -3.070 3.867 1.00 94.25 C +HETATM 78 OD1 HYP A 12 1.778 -4.467 2.036 1.00 91.27 O +ATOM 79 N GLY A 13 0.752 0.558 1.356 1.00 95.51 N +ATOM 80 CA GLY A 13 0.181 1.875 1.450 1.00 95.08 C +ATOM 81 C GLY A 13 -1.192 1.840 2.087 1.00 95.43 C +ATOM 82 O GLY A 13 -1.742 0.769 2.370 1.00 94.71 O +ATOM 83 N PRO A 14 -1.770 3.009 2.323 1.00 95.20 N +ATOM 84 CA PRO A 14 -3.096 3.067 2.924 1.00 95.06 C +ATOM 85 C PRO A 14 -4.163 2.563 1.968 1.00 94.91 C +ATOM 86 O PRO A 14 -3.954 2.512 0.763 1.00 93.58 O +ATOM 87 CB PRO A 14 -3.276 4.556 3.230 1.00 94.13 C +ATOM 88 CG PRO A 14 -2.408 5.234 2.243 1.00 93.22 C +ATOM 89 CD PRO A 14 -1.229 4.332 2.033 1.00 94.51 C +HETATM 90 N HYP A 15 -5.329 2.187 2.488 1.00 95.47 N +HETATM 91 CA HYP A 15 -6.438 1.808 1.659 1.00 94.97 C +HETATM 92 C HYP A 15 -6.832 2.897 0.687 1.00 95.78 C +HETATM 93 O HYP A 15 -6.736 4.103 1.007 1.00 93.21 O +HETATM 94 CB HYP A 15 -7.573 1.579 2.653 1.00 93.53 C +HETATM 95 CG HYP A 15 -6.866 1.276 3.925 1.00 93.20 C +HETATM 96 CD HYP A 15 -5.632 2.108 3.851 1.00 94.61 C +HETATM 97 OD1 HYP A 15 -6.485 -0.082 3.968 1.00 91.32 O +ATOM 98 N GLY A 16 -7.268 2.476 -0.492 1.00 94.14 N +ATOM 99 CA GLY A 16 -7.736 3.421 -1.473 1.00 93.77 C +ATOM 100 C GLY A 16 -8.984 4.136 -0.986 1.00 94.71 C +ATOM 101 O GLY A 16 -9.586 3.760 0.025 1.00 94.13 O +ATOM 102 N PRO A 17 -9.382 5.169 -1.704 1.00 94.93 N +ATOM 103 CA PRO A 17 -10.571 5.911 -1.306 1.00 95.15 C +ATOM 104 C PRO A 17 -11.830 5.093 -1.533 1.00 95.02 C +ATOM 105 O PRO A 17 -11.837 4.144 -2.307 1.00 93.73 O +ATOM 106 CB PRO A 17 -10.536 7.142 -2.213 1.00 93.96 C +ATOM 107 CG PRO A 17 -9.799 6.675 -3.417 1.00 92.60 C +ATOM 108 CD PRO A 17 -8.772 5.698 -2.916 1.00 94.39 C +HETATM 109 N HYP A 18 -12.922 5.432 -0.861 1.00 94.97 N +HETATM 110 CA HYP A 18 -14.179 4.818 -1.122 1.00 94.95 C +HETATM 111 C HYP A 18 -14.608 4.959 -2.555 1.00 95.16 C +HETATM 112 O HYP A 18 -14.312 5.990 -3.202 1.00 93.45 O +HETATM 113 CB HYP A 18 -15.149 5.511 -0.191 1.00 94.23 C +HETATM 114 CG HYP A 18 -14.277 6.040 0.903 1.00 94.01 C +HETATM 115 CD HYP A 18 -12.957 6.363 0.202 1.00 95.03 C +HETATM 116 OD1 HYP A 18 -14.025 5.039 1.871 1.00 91.82 O +ATOM 117 N GLY A 19 -15.287 3.951 -3.076 1.00 94.53 N +ATOM 118 CA GLY A 19 -15.801 4.018 -4.419 1.00 94.38 C +ATOM 119 C GLY A 19 -16.861 5.099 -4.536 1.00 94.80 C +ATOM 120 O GLY A 19 -17.313 5.665 -3.542 1.00 93.95 O +ATOM 121 N PRO A 20 -17.276 5.384 -5.748 1.00 94.63 N +ATOM 122 CA PRO A 20 -18.284 6.416 -5.951 1.00 94.56 C +ATOM 123 C PRO A 20 -19.647 5.967 -5.457 1.00 94.51 C +ATOM 124 O PRO A 20 -19.913 4.780 -5.336 1.00 92.90 O +ATOM 125 CB PRO A 20 -18.273 6.623 -7.470 1.00 92.88 C +ATOM 126 CG PRO A 20 -17.835 5.306 -7.996 1.00 90.94 C +ATOM 127 CD PRO A 20 -16.846 4.767 -6.993 1.00 93.21 C +HETATM 128 N HYP A 21 -20.566 6.894 -5.176 1.00 94.95 N +HETATM 129 CA HYP A 21 -21.882 6.575 -4.813 1.00 94.66 C +HETATM 130 C HYP A 21 -22.602 5.808 -5.912 1.00 95.97 C +HETATM 131 O HYP A 21 -22.333 6.032 -7.116 1.00 93.53 O +HETATM 132 CB HYP A 21 -22.552 7.958 -4.669 1.00 94.41 C +HETATM 133 CG HYP A 21 -21.438 8.887 -4.368 1.00 93.72 C +HETATM 134 CD HYP A 21 -20.280 8.305 -5.143 1.00 94.50 C +HETATM 135 OD1 HYP A 21 -21.122 8.828 -2.980 1.00 91.12 O +ATOM 136 N GLY A 22 -23.491 4.898 -5.524 1.00 92.90 N +ATOM 137 CA GLY A 22 -24.267 4.170 -6.489 1.00 92.79 C +ATOM 138 C GLY A 22 -25.194 5.098 -7.252 1.00 93.52 C +ATOM 139 O GLY A 22 -25.329 6.278 -6.918 1.00 92.54 O +ATOM 140 N PRO A 23 -25.871 4.577 -8.268 1.00 93.01 N +ATOM 141 CA PRO A 23 -26.772 5.406 -9.057 1.00 93.49 C +ATOM 142 C PRO A 23 -27.946 5.879 -8.223 1.00 93.32 C +ATOM 143 O PRO A 23 -28.360 5.209 -7.278 1.00 90.98 O +ATOM 144 CB PRO A 23 -27.252 4.483 -10.176 1.00 91.61 C +ATOM 145 CG PRO A 23 -26.443 3.250 -10.073 1.00 89.70 C +ATOM 146 CD PRO A 23 -25.827 3.190 -8.717 1.00 92.12 C +HETATM 147 N HYP A 24 -28.561 6.995 -8.577 1.00 94.06 N +HETATM 148 CA HYP A 24 -29.747 7.368 -7.862 1.00 93.63 C +HETATM 149 C HYP A 24 -30.806 6.312 -8.143 1.00 93.79 C +HETATM 150 O HYP A 24 -30.886 5.885 -9.311 1.00 90.23 O +HETATM 151 CB HYP A 24 -30.180 8.708 -8.497 1.00 93.31 C +HETATM 152 CG HYP A 24 -28.955 9.265 -9.137 1.00 91.90 C +HETATM 153 CD HYP A 24 -28.104 8.036 -9.496 1.00 92.94 C +HETATM 154 OD1 HYP A 24 -28.251 9.991 -8.160 1.00 88.61 O +HETATM 155 OXT HYP A 24 -31.440 5.942 -7.175 1.00 84.38 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_618.txt b/protein_pdb_618.txt new file mode 100644 index 0000000000000000000000000000000000000000..33ea9a543263800b5d66b1c702a396ae47f35f39 --- /dev/null +++ b/protein_pdb_618.txt @@ -0,0 +1,178 @@ +ATOM 1 N GLY A 1 27.862 -10.695 19.918 1.00 95.00 N +ATOM 2 CA GLY A 1 26.836 -11.615 19.419 1.00 96.14 C +ATOM 3 C GLY A 1 26.330 -11.191 18.061 1.00 96.30 C +ATOM 4 O GLY A 1 26.635 -10.088 17.606 1.00 95.59 O +ATOM 5 N PRO A 2 25.554 -12.040 17.396 1.00 97.90 N +ATOM 6 CA PRO A 2 25.018 -11.695 16.078 1.00 98.07 C +ATOM 7 C PRO A 2 23.977 -10.591 16.181 1.00 98.20 C +ATOM 8 O PRO A 2 23.353 -10.408 17.221 1.00 97.93 O +ATOM 9 CB PRO A 2 24.399 -13.008 15.590 1.00 97.13 C +ATOM 10 CG PRO A 2 24.022 -13.704 16.853 1.00 95.47 C +ATOM 11 CD PRO A 2 25.136 -13.368 17.818 1.00 97.05 C +HETATM 12 N HYP A 3 23.845 -9.876 15.128 1.00 96.87 N +HETATM 13 CA HYP A 3 22.812 -8.833 15.036 1.00 97.07 C +HETATM 14 C HYP A 3 21.406 -9.406 15.252 1.00 96.35 C +HETATM 15 O HYP A 3 21.162 -10.568 14.891 1.00 97.05 O +HETATM 16 CB HYP A 3 22.979 -8.283 13.610 1.00 95.39 C +HETATM 17 CG HYP A 3 24.390 -8.671 13.185 1.00 95.66 C +HETATM 18 CD HYP A 3 24.638 -10.004 13.887 1.00 96.32 C +HETATM 19 OD1 HYP A 3 25.351 -7.744 13.608 1.00 96.72 O +ATOM 20 N GLY A 4 20.535 -8.580 15.813 1.00 98.04 N +ATOM 21 CA GLY A 4 19.175 -9.008 16.014 1.00 97.88 C +ATOM 22 C GLY A 4 18.447 -9.107 14.686 1.00 97.93 C +ATOM 23 O GLY A 4 18.961 -8.661 13.654 1.00 98.04 O +ATOM 24 N PRO A 5 17.241 -9.680 14.692 1.00 98.14 N +ATOM 25 CA PRO A 5 16.473 -9.824 13.457 1.00 98.07 C +ATOM 26 C PRO A 5 16.006 -8.470 12.938 1.00 98.20 C +ATOM 27 O PRO A 5 15.856 -7.517 13.706 1.00 98.03 O +ATOM 28 CB PRO A 5 15.296 -10.706 13.873 1.00 97.23 C +ATOM 29 CG PRO A 5 15.126 -10.398 15.327 1.00 95.82 C +ATOM 30 CD PRO A 5 16.538 -10.226 15.844 1.00 97.66 C +HETATM 31 N HYP A 6 15.795 -8.376 11.655 1.00 97.48 N +HETATM 32 CA HYP A 6 15.246 -7.153 11.039 1.00 97.67 C +HETATM 33 C HYP A 6 13.866 -6.795 11.566 1.00 97.29 C +HETATM 34 O HYP A 6 13.114 -7.693 11.952 1.00 97.06 O +HETATM 35 CB HYP A 6 15.156 -7.573 9.513 1.00 96.31 C +HETATM 36 CG HYP A 6 16.157 -8.713 9.343 1.00 95.49 C +HETATM 37 CD HYP A 6 16.108 -9.421 10.694 1.00 96.63 C +HETATM 38 OD1 HYP A 6 17.458 -8.216 9.112 1.00 95.51 O +ATOM 39 N GLY A 7 13.556 -5.496 11.620 1.00 98.13 N +ATOM 40 CA GLY A 7 12.260 -5.058 12.077 1.00 97.99 C +ATOM 41 C GLY A 7 11.175 -5.523 11.126 1.00 98.17 C +ATOM 42 O GLY A 7 11.450 -5.863 9.971 1.00 98.09 O +ATOM 43 N ARG A 8 9.932 -5.524 11.624 1.00 97.75 N +ATOM 44 CA ARG A 8 8.832 -5.961 10.778 1.00 97.76 C +ATOM 45 C ARG A 8 8.523 -4.913 9.722 1.00 97.87 C +ATOM 46 O ARG A 8 8.810 -3.739 9.899 1.00 97.83 O +ATOM 47 CB ARG A 8 7.586 -6.259 11.611 1.00 97.04 C +ATOM 48 CG ARG A 8 6.947 -5.053 12.266 1.00 92.84 C +ATOM 49 CD ARG A 8 5.682 -5.451 13.001 1.00 91.22 C +ATOM 50 NE ARG A 8 5.943 -6.356 14.111 1.00 87.00 N +ATOM 51 CZ ARG A 8 5.014 -7.046 14.770 1.00 84.64 C +ATOM 52 NH1 ARG A 8 3.751 -6.956 14.422 1.00 82.04 N +ATOM 53 NH2 ARG A 8 5.368 -7.830 15.765 1.00 81.67 N +HETATM 54 N HYP A 9 7.919 -5.323 8.641 1.00 97.15 N +HETATM 55 CA HYP A 9 7.537 -4.433 7.568 1.00 97.13 C +HETATM 56 C HYP A 9 6.554 -3.415 8.030 1.00 97.34 C +HETATM 57 O HYP A 9 5.746 -3.666 8.920 1.00 97.28 O +HETATM 58 CB HYP A 9 6.856 -5.403 6.521 1.00 96.57 C +HETATM 59 CG HYP A 9 7.430 -6.744 6.822 1.00 95.15 C +HETATM 60 CD HYP A 9 7.645 -6.723 8.329 1.00 96.00 C +HETATM 61 OD1 HYP A 9 8.660 -6.938 6.173 1.00 94.39 O +ATOM 62 N GLY A 10 6.607 -2.212 7.435 1.00 97.73 N +ATOM 63 CA GLY A 10 5.684 -1.159 7.785 1.00 97.49 C +ATOM 64 C GLY A 10 4.256 -1.530 7.413 1.00 97.42 C +ATOM 65 O GLY A 10 4.019 -2.450 6.628 1.00 97.30 O +ATOM 66 N LYS A 11 3.305 -0.786 7.982 1.00 96.76 N +ATOM 67 CA LYS A 11 1.895 -1.018 7.689 1.00 96.40 C +ATOM 68 C LYS A 11 1.582 -0.658 6.247 1.00 96.20 C +ATOM 69 O LYS A 11 2.179 0.255 5.675 1.00 95.82 O +ATOM 70 CB LYS A 11 1.013 -0.191 8.623 1.00 95.86 C +ATOM 71 CG LYS A 11 1.136 -0.560 10.092 1.00 91.21 C +ATOM 72 CD LYS A 11 0.182 0.247 10.944 1.00 88.28 C +ATOM 73 CE LYS A 11 0.280 -0.120 12.405 1.00 82.85 C +ATOM 74 NZ LYS A 11 1.575 0.264 12.995 1.00 79.17 N +ATOM 75 N ARG A 12 0.610 -1.373 5.659 1.00 95.61 N +ATOM 76 CA ARG A 12 0.189 -1.078 4.301 1.00 96.09 C +ATOM 77 C ARG A 12 -0.532 0.267 4.283 1.00 96.43 C +ATOM 78 O ARG A 12 -1.244 0.614 5.227 1.00 95.39 O +ATOM 79 CB ARG A 12 -0.737 -2.185 3.769 1.00 94.83 C +ATOM 80 CG ARG A 12 -1.240 -1.925 2.364 1.00 89.06 C +ATOM 81 CD ARG A 12 -1.956 -3.131 1.791 1.00 84.92 C +ATOM 82 NE ARG A 12 -1.037 -4.223 1.516 1.00 79.90 N +ATOM 83 CZ ARG A 12 -1.387 -5.382 0.965 1.00 76.74 C +ATOM 84 NH1 ARG A 12 -2.646 -5.609 0.623 1.00 74.09 N +ATOM 85 NH2 ARG A 12 -0.478 -6.319 0.752 1.00 71.30 N +ATOM 86 N GLY A 13 -0.325 1.024 3.220 1.00 96.29 N +ATOM 87 CA GLY A 13 -0.979 2.317 3.090 1.00 95.88 C +ATOM 88 C GLY A 13 -2.488 2.194 3.044 1.00 96.01 C +ATOM 89 O GLY A 13 -3.033 1.139 2.715 1.00 96.25 O +ATOM 90 N LYS A 14 -3.178 3.291 3.362 1.00 96.45 N +ATOM 91 CA LYS A 14 -4.634 3.311 3.330 1.00 96.80 C +ATOM 92 C LYS A 14 -5.130 3.196 1.894 1.00 96.84 C +ATOM 93 O LYS A 14 -4.478 3.662 0.959 1.00 96.55 O +ATOM 94 CB LYS A 14 -5.165 4.603 3.948 1.00 96.04 C +ATOM 95 CG LYS A 14 -4.841 4.750 5.425 1.00 90.22 C +ATOM 96 CD LYS A 14 -5.310 6.081 5.966 1.00 86.88 C +ATOM 97 CE LYS A 14 -4.944 6.247 7.431 1.00 80.52 C +ATOM 98 NZ LYS A 14 -5.314 7.583 7.933 1.00 75.61 N +ATOM 99 N GLN A 15 -6.301 2.576 1.733 1.00 95.66 N +ATOM 100 CA GLN A 15 -6.892 2.444 0.407 1.00 96.78 C +ATOM 101 C GLN A 15 -7.341 3.819 -0.077 1.00 96.90 C +ATOM 102 O GLN A 15 -7.818 4.638 0.700 1.00 95.66 O +ATOM 103 CB GLN A 15 -8.081 1.485 0.465 1.00 95.42 C +ATOM 104 CG GLN A 15 -8.717 1.206 -0.890 1.00 89.97 C +ATOM 105 CD GLN A 15 -9.773 0.127 -0.806 1.00 83.26 C +ATOM 106 OE1 GLN A 15 -10.588 0.126 0.115 1.00 80.53 O +ATOM 107 NE2 GLN A 15 -9.774 -0.789 -1.753 1.00 78.65 N +ATOM 108 N GLY A 16 -7.159 4.064 -1.369 1.00 97.24 N +ATOM 109 CA GLY A 16 -7.563 5.336 -1.935 1.00 97.00 C +ATOM 110 C GLY A 16 -9.062 5.553 -1.837 1.00 97.24 C +ATOM 111 O GLY A 16 -9.837 4.598 -1.749 1.00 97.62 O +ATOM 112 N GLN A 17 -9.475 6.829 -1.851 1.00 96.71 N +ATOM 113 CA GLN A 17 -10.885 7.177 -1.782 1.00 96.72 C +ATOM 114 C GLN A 17 -11.584 6.844 -3.093 1.00 97.16 C +ATOM 115 O GLN A 17 -10.991 6.903 -4.165 1.00 97.02 O +ATOM 116 CB GLN A 17 -11.056 8.666 -1.488 1.00 95.81 C +ATOM 117 CG GLN A 17 -10.588 9.072 -0.103 1.00 90.31 C +ATOM 118 CD GLN A 17 -11.441 8.436 0.986 1.00 85.71 C +ATOM 119 OE1 GLN A 17 -10.987 7.557 1.704 1.00 81.85 O +ATOM 120 NE2 GLN A 17 -12.677 8.881 1.102 1.00 78.92 N +ATOM 121 N LYS A 18 -12.861 6.502 -2.994 1.00 97.26 N +ATOM 122 CA LYS A 18 -13.658 6.229 -4.172 1.00 97.45 C +ATOM 123 C LYS A 18 -13.791 7.520 -4.968 1.00 97.75 C +ATOM 124 O LYS A 18 -13.931 8.595 -4.399 1.00 97.62 O +ATOM 125 CB LYS A 18 -15.048 5.714 -3.752 1.00 96.23 C +ATOM 126 CG LYS A 18 -15.955 5.329 -4.913 1.00 92.89 C +ATOM 127 CD LYS A 18 -17.298 4.808 -4.409 1.00 90.22 C +ATOM 128 CE LYS A 18 -18.260 4.488 -5.536 1.00 85.35 C +ATOM 129 NZ LYS A 18 -17.827 3.321 -6.330 1.00 81.40 N +ATOM 130 N GLY A 19 -13.745 7.407 -6.280 1.00 97.48 N +ATOM 131 CA GLY A 19 -13.851 8.575 -7.137 1.00 97.22 C +ATOM 132 C GLY A 19 -15.237 9.196 -7.081 1.00 97.54 C +ATOM 133 O GLY A 19 -16.176 8.583 -6.580 1.00 97.89 O +ATOM 134 N PRO A 20 -15.376 10.429 -7.609 1.00 97.64 N +ATOM 135 CA PRO A 20 -16.665 11.108 -7.598 1.00 97.58 C +ATOM 136 C PRO A 20 -17.634 10.462 -8.575 1.00 97.72 C +ATOM 137 O PRO A 20 -17.226 9.741 -9.482 1.00 97.56 O +ATOM 138 CB PRO A 20 -16.321 12.536 -8.029 1.00 96.55 C +ATOM 139 CG PRO A 20 -15.126 12.360 -8.904 1.00 95.06 C +ATOM 140 CD PRO A 20 -14.338 11.258 -8.235 1.00 96.88 C +HETATM 141 N HYP A 21 -18.922 10.761 -8.413 1.00 97.28 N +HETATM 142 CA HYP A 21 -19.911 10.246 -9.293 1.00 97.07 C +HETATM 143 C HYP A 21 -19.698 10.703 -10.718 1.00 97.29 C +HETATM 144 O HYP A 21 -19.208 11.851 -10.936 1.00 97.18 O +HETATM 145 CB HYP A 21 -21.223 10.845 -8.736 1.00 96.12 C +HETATM 146 CG HYP A 21 -20.931 11.160 -7.286 1.00 96.34 C +HETATM 147 CD HYP A 21 -19.479 11.541 -7.299 1.00 96.26 C +HETATM 148 OD1 HYP A 21 -21.108 10.060 -6.453 1.00 94.60 O +ATOM 149 N GLY A 22 -19.991 9.863 -11.661 1.00 97.40 N +ATOM 150 CA GLY A 22 -19.832 10.226 -13.045 1.00 97.27 C +ATOM 151 C GLY A 22 -20.908 11.219 -13.455 1.00 97.42 C +ATOM 152 O GLY A 22 -21.836 11.495 -12.693 1.00 97.81 O +ATOM 153 N PRO A 23 -20.800 11.773 -14.663 1.00 97.62 N +ATOM 154 CA PRO A 23 -21.794 12.723 -15.160 1.00 97.47 C +ATOM 155 C PRO A 23 -23.161 12.070 -15.262 1.00 97.50 C +ATOM 156 O PRO A 23 -23.255 10.854 -15.380 1.00 97.20 O +ATOM 157 CB PRO A 23 -21.265 13.104 -16.543 1.00 96.31 C +ATOM 158 CG PRO A 23 -19.809 12.807 -16.469 1.00 94.80 C +ATOM 159 CD PRO A 23 -19.716 11.578 -15.619 1.00 96.86 C +HETATM 160 N HYP A 24 -24.257 12.873 -15.253 1.00 95.88 N +HETATM 161 CA HYP A 24 -25.571 12.341 -15.419 1.00 96.07 C +HETATM 162 C HYP A 24 -25.716 11.612 -16.686 1.00 95.39 C +HETATM 163 O HYP A 24 -25.089 12.034 -17.694 1.00 95.80 O +HETATM 164 CB HYP A 24 -26.478 13.650 -15.319 1.00 94.38 C +HETATM 165 CG HYP A 24 -25.667 14.626 -14.517 1.00 94.15 C +HETATM 166 CD HYP A 24 -24.232 14.313 -14.911 1.00 95.30 C +HETATM 167 OD1 HYP A 24 -25.807 14.438 -13.131 1.00 93.17 O +ATOM 168 N GLY A 25 -26.467 10.477 -16.685 1.00 96.28 N +ATOM 169 CA GLY A 25 -26.596 9.607 -17.827 1.00 95.37 C +ATOM 170 C GLY A 25 -26.960 10.369 -19.098 1.00 94.27 C +ATOM 171 O GLY A 25 -27.704 11.350 -19.047 1.00 92.31 O +ATOM 172 N GLY A 26 -26.427 9.911 -20.232 1.00 88.92 N +ATOM 173 CA GLY A 26 -26.646 10.562 -21.521 1.00 83.50 C +ATOM 174 C GLY A 26 -25.355 11.059 -22.135 1.00 79.33 C +ATOM 175 O GLY A 26 -25.395 11.915 -23.027 1.00 75.82 O +ATOM 176 OXT GLY A 26 -24.267 10.626 -21.756 1.00 76.70 O +TER 177 GLY A 26 +END diff --git a/protein_pdb_619.txt b/protein_pdb_619.txt new file mode 100644 index 0000000000000000000000000000000000000000..0ce2a7f1e6e6eb89128700cfaef2c32ad57341ea --- /dev/null +++ b/protein_pdb_619.txt @@ -0,0 +1,182 @@ +ATOM 1 N GLY A 1 31.404 -19.496 12.308 1.00 94.37 N +ATOM 2 CA GLY A 1 29.959 -19.716 12.339 1.00 95.53 C +ATOM 3 C GLY A 1 29.322 -19.445 10.992 1.00 95.61 C +ATOM 4 O GLY A 1 29.973 -18.921 10.083 1.00 93.59 O +ATOM 5 N LEU A 2 28.037 -19.748 10.875 1.00 97.35 N +ATOM 6 CA LEU A 2 27.297 -19.533 9.636 1.00 97.38 C +ATOM 7 C LEU A 2 26.938 -18.070 9.470 1.00 97.73 C +ATOM 8 O LEU A 2 26.749 -17.351 10.453 1.00 97.03 O +ATOM 9 CB LEU A 2 26.011 -20.360 9.641 1.00 95.86 C +ATOM 10 CG LEU A 2 26.201 -21.875 9.581 1.00 89.61 C +ATOM 11 CD1 LEU A 2 24.873 -22.555 9.858 1.00 87.58 C +ATOM 12 CD2 LEU A 2 26.739 -22.282 8.226 1.00 84.31 C +HETATM 13 N HYP A 3 26.886 -17.634 8.277 1.00 96.79 N +HETATM 14 CA HYP A 3 26.376 -16.274 7.959 1.00 97.30 C +HETATM 15 C HYP A 3 24.965 -16.045 8.390 1.00 97.46 C +HETATM 16 O HYP A 3 24.193 -17.030 8.437 1.00 96.38 O +HETATM 17 CB HYP A 3 26.481 -16.201 6.409 1.00 97.29 C +HETATM 18 CG HYP A 3 27.447 -17.282 6.008 1.00 96.14 C +HETATM 19 CD HYP A 3 27.241 -18.370 7.059 1.00 96.76 C +HETATM 20 OD1 HYP A 3 28.777 -16.834 6.053 1.00 96.23 O +ATOM 21 N GLY A 4 24.581 -14.809 8.721 1.00 97.68 N +ATOM 22 CA GLY A 4 23.233 -14.503 9.155 1.00 97.09 C +ATOM 23 C GLY A 4 22.218 -14.798 8.064 1.00 96.65 C +ATOM 24 O GLY A 4 22.550 -14.849 6.880 1.00 95.91 O +ATOM 25 N MET A 5 20.941 -14.983 8.481 1.00 97.47 N +ATOM 26 CA MET A 5 19.867 -15.264 7.540 1.00 96.84 C +ATOM 27 C MET A 5 19.391 -13.992 6.854 1.00 96.89 C +ATOM 28 O MET A 5 19.412 -12.909 7.438 1.00 95.19 O +ATOM 29 CB MET A 5 18.691 -15.925 8.262 1.00 94.52 C +ATOM 30 CG MET A 5 19.025 -17.288 8.845 1.00 88.65 C +ATOM 31 SD MET A 5 17.625 -18.027 9.692 1.00 83.17 S +ATOM 32 CE MET A 5 16.572 -18.423 8.293 1.00 76.24 C +ATOM 33 N LEU A 6 18.942 -14.127 5.606 1.00 96.37 N +ATOM 34 CA LEU A 6 18.418 -13.000 4.846 1.00 95.60 C +ATOM 35 C LEU A 6 17.076 -12.580 5.454 1.00 95.95 C +ATOM 36 O LEU A 6 16.279 -13.428 5.847 1.00 94.41 O +ATOM 37 CB LEU A 6 18.235 -13.420 3.385 1.00 93.23 C +ATOM 38 CG LEU A 6 17.737 -12.338 2.420 1.00 84.63 C +ATOM 39 CD1 LEU A 6 18.786 -11.255 2.258 1.00 82.33 C +ATOM 40 CD2 LEU A 6 17.423 -12.966 1.070 1.00 80.43 C +ATOM 41 N GLY A 7 16.843 -11.301 5.544 1.00 96.13 N +ATOM 42 CA GLY A 7 15.603 -10.805 6.120 1.00 96.04 C +ATOM 43 C GLY A 7 14.377 -11.265 5.348 1.00 96.27 C +ATOM 44 O GLY A 7 14.452 -11.523 4.145 1.00 95.83 O +ATOM 45 N GLN A 8 13.243 -11.341 6.056 1.00 95.82 N +ATOM 46 CA GLN A 8 12.008 -11.784 5.432 1.00 95.42 C +ATOM 47 C GLN A 8 11.410 -10.684 4.562 1.00 95.58 C +ATOM 48 O GLN A 8 11.672 -9.495 4.761 1.00 93.41 O +ATOM 49 CB GLN A 8 11.002 -12.219 6.500 1.00 93.23 C +ATOM 50 CG GLN A 8 10.608 -11.114 7.453 1.00 87.18 C +ATOM 51 CD GLN A 8 9.784 -11.629 8.620 1.00 82.02 C +ATOM 52 OE1 GLN A 8 8.929 -12.499 8.457 1.00 76.68 O +ATOM 53 NE2 GLN A 8 10.034 -11.102 9.804 1.00 74.19 N +ATOM 54 N LYS A 9 10.598 -11.103 3.586 1.00 94.99 N +ATOM 55 CA LYS A 9 9.941 -10.166 2.682 1.00 95.96 C +ATOM 56 C LYS A 9 8.914 -9.348 3.472 1.00 96.15 C +ATOM 57 O LYS A 9 8.238 -9.870 4.348 1.00 94.24 O +ATOM 58 CB LYS A 9 9.246 -10.942 1.556 1.00 93.31 C +ATOM 59 CG LYS A 9 8.577 -10.070 0.516 1.00 87.83 C +ATOM 60 CD LYS A 9 7.953 -10.926 -0.580 1.00 84.27 C +ATOM 61 CE LYS A 9 7.210 -10.097 -1.608 1.00 77.00 C +ATOM 62 NZ LYS A 9 8.104 -9.201 -2.368 1.00 72.63 N +ATOM 63 N GLY A 10 8.825 -8.083 3.165 1.00 95.88 N +ATOM 64 CA GLY A 10 7.881 -7.214 3.867 1.00 95.51 C +ATOM 65 C GLY A 10 6.438 -7.540 3.536 1.00 95.78 C +ATOM 66 O GLY A 10 6.144 -8.194 2.533 1.00 95.04 O +ATOM 67 N GLU A 11 5.520 -7.071 4.398 1.00 96.57 N +ATOM 68 CA GLU A 11 4.089 -7.290 4.196 1.00 96.77 C +ATOM 69 C GLU A 11 3.584 -6.383 3.080 1.00 96.96 C +ATOM 70 O GLU A 11 4.138 -5.317 2.824 1.00 95.75 O +ATOM 71 CB GLU A 11 3.313 -6.980 5.477 1.00 94.81 C +ATOM 72 CG GLU A 11 3.685 -7.871 6.655 1.00 86.67 C +ATOM 73 CD GLU A 11 2.879 -7.537 7.898 1.00 81.98 C +ATOM 74 OE1 GLU A 11 2.591 -6.343 8.118 1.00 77.80 O +ATOM 75 OE2 GLU A 11 2.531 -8.465 8.649 1.00 77.75 O +ATOM 76 N MET A 12 2.495 -6.820 2.419 1.00 96.26 N +ATOM 77 CA MET A 12 1.890 -5.996 1.372 1.00 96.72 C +ATOM 78 C MET A 12 1.233 -4.785 2.032 1.00 97.28 C +ATOM 79 O MET A 12 0.604 -4.908 3.082 1.00 95.29 O +ATOM 80 CB MET A 12 0.860 -6.810 0.593 1.00 95.12 C +ATOM 81 CG MET A 12 0.141 -6.015 -0.478 1.00 89.33 C +ATOM 82 SD MET A 12 -0.764 -7.044 -1.636 1.00 83.78 S +ATOM 83 CE MET A 12 -1.809 -7.971 -0.538 1.00 76.53 C +ATOM 84 N GLY A 13 1.395 -3.630 1.428 1.00 97.16 N +ATOM 85 CA GLY A 13 0.826 -2.409 1.976 1.00 96.98 C +ATOM 86 C GLY A 13 -0.697 -2.410 1.926 1.00 97.33 C +ATOM 87 O GLY A 13 -1.305 -3.221 1.230 1.00 97.21 O +ATOM 88 N PRO A 14 -1.338 -1.471 2.655 1.00 97.09 N +ATOM 89 CA PRO A 14 -2.796 -1.414 2.668 1.00 97.04 C +ATOM 90 C PRO A 14 -3.352 -0.929 1.330 1.00 97.42 C +ATOM 91 O PRO A 14 -2.656 -0.287 0.545 1.00 96.69 O +ATOM 92 CB PRO A 14 -3.098 -0.424 3.797 1.00 95.79 C +ATOM 93 CG PRO A 14 -1.917 0.487 3.783 1.00 94.29 C +ATOM 94 CD PRO A 14 -0.745 -0.440 3.509 1.00 95.87 C +ATOM 95 N LYS A 15 -4.622 -1.249 1.081 1.00 97.16 N +ATOM 96 CA LYS A 15 -5.297 -0.800 -0.133 1.00 97.20 C +ATOM 97 C LYS A 15 -5.399 0.726 -0.086 1.00 97.66 C +ATOM 98 O LYS A 15 -5.601 1.310 0.973 1.00 97.19 O +ATOM 99 CB LYS A 15 -6.692 -1.429 -0.195 1.00 95.62 C +ATOM 100 CG LYS A 15 -7.508 -1.050 -1.415 1.00 89.91 C +ATOM 101 CD LYS A 15 -8.872 -1.709 -1.376 1.00 87.63 C +ATOM 102 CE LYS A 15 -9.763 -1.268 -2.518 1.00 81.50 C +ATOM 103 NZ LYS A 15 -9.263 -1.732 -3.830 1.00 77.52 N +ATOM 104 N GLY A 16 -5.240 1.351 -1.232 1.00 98.07 N +ATOM 105 CA GLY A 16 -5.312 2.802 -1.293 1.00 97.90 C +ATOM 106 C GLY A 16 -6.721 3.316 -1.009 1.00 98.13 C +ATOM 107 O GLY A 16 -7.682 2.546 -1.047 1.00 98.07 O +ATOM 108 N PRO A 17 -6.855 4.622 -0.736 1.00 97.81 N +ATOM 109 CA PRO A 17 -8.169 5.195 -0.444 1.00 97.79 C +ATOM 110 C PRO A 17 -9.036 5.254 -1.696 1.00 98.00 C +ATOM 111 O PRO A 17 -8.526 5.232 -2.813 1.00 97.63 O +ATOM 112 CB PRO A 17 -7.830 6.591 0.070 1.00 96.77 C +ATOM 113 CG PRO A 17 -6.562 6.931 -0.633 1.00 95.18 C +ATOM 114 CD PRO A 17 -5.788 5.625 -0.647 1.00 96.92 C +HETATM 115 N HYP A 18 -10.357 5.360 -1.506 1.00 97.97 N +HETATM 116 CA HYP A 18 -11.274 5.515 -2.589 1.00 97.56 C +HETATM 117 C HYP A 18 -10.975 6.789 -3.374 1.00 98.16 C +HETATM 118 O HYP A 18 -10.438 7.736 -2.793 1.00 97.50 O +HETATM 119 CB HYP A 18 -12.626 5.633 -1.872 1.00 97.39 C +HETATM 120 CG HYP A 18 -12.433 4.954 -0.524 1.00 96.21 C +HETATM 121 CD HYP A 18 -11.005 5.287 -0.205 1.00 97.01 C +HETATM 122 OD1 HYP A 18 -12.590 3.567 -0.628 1.00 95.49 O +ATOM 123 N GLY A 19 -11.269 6.780 -4.633 1.00 98.31 N +ATOM 124 CA GLY A 19 -11.049 7.956 -5.438 1.00 98.17 C +ATOM 125 C GLY A 19 -11.982 9.078 -4.996 1.00 98.33 C +ATOM 126 O GLY A 19 -12.925 8.846 -4.232 1.00 98.22 O +ATOM 127 N PRO A 20 -11.737 10.303 -5.481 1.00 97.61 N +ATOM 128 CA PRO A 20 -12.580 11.427 -5.102 1.00 97.47 C +ATOM 129 C PRO A 20 -13.974 11.306 -5.694 1.00 97.63 C +ATOM 130 O PRO A 20 -14.167 10.658 -6.712 1.00 97.13 O +ATOM 131 CB PRO A 20 -11.821 12.632 -5.661 1.00 96.35 C +ATOM 132 CG PRO A 20 -11.098 12.069 -6.836 1.00 94.61 C +ATOM 133 CD PRO A 20 -10.656 10.700 -6.376 1.00 96.63 C +HETATM 134 N HYP A 21 -14.937 11.945 -5.063 1.00 97.59 N +HETATM 135 CA HYP A 21 -16.303 12.014 -5.571 1.00 97.28 C +HETATM 136 C HYP A 21 -16.353 12.708 -6.939 1.00 97.67 C +HETATM 137 O HYP A 21 -15.484 13.540 -7.228 1.00 97.01 O +HETATM 138 CB HYP A 21 -17.000 12.921 -4.516 1.00 96.41 C +HETATM 139 CG HYP A 21 -16.207 12.768 -3.232 1.00 94.87 C +HETATM 140 CD HYP A 21 -14.790 12.609 -3.746 1.00 96.24 C +HETATM 141 OD1 HYP A 21 -16.576 11.580 -2.545 1.00 94.10 O +ATOM 142 N GLY A 22 -17.301 12.357 -7.740 1.00 97.41 N +ATOM 143 CA GLY A 22 -17.448 12.983 -9.030 1.00 97.37 C +ATOM 144 C GLY A 22 -17.820 14.452 -8.859 1.00 97.52 C +ATOM 145 O GLY A 22 -18.146 14.895 -7.755 1.00 97.25 O +ATOM 146 N PRO A 23 -17.787 15.223 -9.950 1.00 95.91 N +ATOM 147 CA PRO A 23 -18.110 16.650 -9.865 1.00 95.59 C +ATOM 148 C PRO A 23 -19.593 16.862 -9.575 1.00 95.80 C +ATOM 149 O PRO A 23 -20.421 16.006 -9.856 1.00 94.73 O +ATOM 150 CB PRO A 23 -17.708 17.174 -11.243 1.00 93.84 C +ATOM 151 CG PRO A 23 -17.880 15.991 -12.131 1.00 92.10 C +ATOM 152 CD PRO A 23 -17.399 14.826 -11.299 1.00 94.44 C +HETATM 153 N HYP A 24 -19.957 18.042 -9.037 1.00 95.29 N +HETATM 154 CA HYP A 24 -21.314 18.382 -8.781 1.00 93.97 C +HETATM 155 C HYP A 24 -22.116 18.483 -10.079 1.00 94.98 C +HETATM 156 O HYP A 24 -21.542 18.749 -11.127 1.00 94.05 O +HETATM 157 CB HYP A 24 -21.207 19.831 -8.175 1.00 93.24 C +HETATM 158 CG HYP A 24 -19.842 19.915 -7.559 1.00 91.44 C +HETATM 159 CD HYP A 24 -19.011 19.042 -8.502 1.00 93.09 C +HETATM 160 OD1 HYP A 24 -19.838 19.308 -6.277 1.00 89.45 O +ATOM 161 N GLY A 25 -23.396 18.206 -10.032 1.00 93.11 N +ATOM 162 CA GLY A 25 -24.230 18.286 -11.204 1.00 92.99 C +ATOM 163 C GLY A 25 -24.304 19.721 -11.706 1.00 93.44 C +ATOM 164 O GLY A 25 -23.871 20.649 -11.020 1.00 92.75 O +ATOM 165 N PRO A 26 -24.876 19.936 -12.904 1.00 92.43 N +ATOM 166 CA PRO A 26 -24.977 21.284 -13.448 1.00 92.77 C +ATOM 167 C PRO A 26 -25.913 22.148 -12.625 1.00 92.42 C +ATOM 168 O PRO A 26 -26.812 21.641 -11.956 1.00 88.65 O +ATOM 169 CB PRO A 26 -25.500 21.057 -14.864 1.00 89.72 C +ATOM 170 CG PRO A 26 -26.249 19.773 -14.751 1.00 87.05 C +ATOM 171 CD PRO A 26 -25.438 18.943 -13.794 1.00 90.34 C +HETATM 172 N HYP A 27 -25.799 23.448 -12.681 1.00 93.55 N +HETATM 173 CA HYP A 27 -26.614 24.330 -11.857 1.00 88.70 C +HETATM 174 C HYP A 27 -28.096 24.114 -12.012 1.00 88.07 C +HETATM 175 O HYP A 27 -28.555 23.891 -13.146 1.00 89.14 O +HETATM 176 CB HYP A 27 -26.203 25.774 -12.305 1.00 86.76 C +HETATM 177 CG HYP A 27 -24.893 25.622 -13.037 1.00 84.31 C +HETATM 178 CD HYP A 27 -24.892 24.180 -13.546 1.00 91.16 C +HETATM 179 OD1 HYP A 27 -23.833 25.775 -12.125 1.00 84.64 O +HETATM 180 OXT HYP A 27 -28.762 24.155 -10.943 1.00 87.62 O +TER 181 HYP A 27 +END diff --git a/protein_pdb_62.txt b/protein_pdb_62.txt new file mode 100644 index 0000000000000000000000000000000000000000..8ea64a734551db0055196f62b07c76ef9071e4a0 --- /dev/null +++ b/protein_pdb_62.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -26.894 -7.606 25.643 1.00 83.24 N +ATOM 2 CA GLY A 1 -25.460 -7.806 25.811 1.00 86.53 C +ATOM 3 C GLY A 1 -24.668 -6.649 25.242 1.00 87.53 C +ATOM 4 O GLY A 1 -25.224 -5.788 24.552 1.00 83.17 O +ATOM 5 N PRO A 2 -23.371 -6.599 25.495 1.00 85.34 N +ATOM 6 CA PRO A 2 -22.531 -5.517 24.975 1.00 88.48 C +ATOM 7 C PRO A 2 -22.374 -5.600 23.465 1.00 88.63 C +ATOM 8 O PRO A 2 -22.531 -6.662 22.871 1.00 85.36 O +ATOM 9 CB PRO A 2 -21.194 -5.720 25.691 1.00 84.79 C +ATOM 10 CG PRO A 2 -21.162 -7.186 25.958 1.00 81.90 C +ATOM 11 CD PRO A 2 -22.593 -7.552 26.278 1.00 82.39 C +HETATM 12 N HYP A 3 -22.136 -4.515 22.893 1.00 91.77 N +HETATM 13 CA HYP A 3 -21.805 -4.444 21.449 1.00 88.76 C +HETATM 14 C HYP A 3 -20.653 -5.346 21.106 1.00 90.98 C +HETATM 15 O HYP A 3 -19.746 -5.600 21.931 1.00 91.43 O +HETATM 16 CB HYP A 3 -21.436 -2.972 21.287 1.00 88.61 C +HETATM 17 CG HYP A 3 -22.165 -2.261 22.386 1.00 88.35 C +HETATM 18 CD HYP A 3 -22.061 -3.228 23.538 1.00 91.55 C +HETATM 19 OD1 HYP A 3 -23.511 -2.050 22.066 1.00 89.45 O +ATOM 20 N GLY A 4 -20.664 -5.871 19.879 1.00 94.10 N +ATOM 21 CA GLY A 4 -19.583 -6.701 19.406 1.00 93.45 C +ATOM 22 C GLY A 4 -18.317 -5.882 19.215 1.00 93.61 C +ATOM 23 O GLY A 4 -18.339 -4.654 19.285 1.00 92.64 O +ATOM 24 N PRO A 5 -17.207 -6.558 18.961 1.00 94.44 N +ATOM 25 CA PRO A 5 -15.939 -5.856 18.769 1.00 94.26 C +ATOM 26 C PRO A 5 -15.934 -5.062 17.477 1.00 94.34 C +ATOM 27 O PRO A 5 -16.672 -5.363 16.544 1.00 93.01 O +ATOM 28 CB PRO A 5 -14.907 -6.980 18.749 1.00 92.52 C +ATOM 29 CG PRO A 5 -15.675 -8.147 18.243 1.00 91.07 C +ATOM 30 CD PRO A 5 -17.058 -8.005 18.839 1.00 92.58 C +HETATM 31 N HYP A 6 -15.128 -4.046 17.433 1.00 94.68 N +HETATM 32 CA HYP A 6 -14.912 -3.298 16.182 1.00 93.78 C +HETATM 33 C HYP A 6 -14.432 -4.168 15.084 1.00 92.67 C +HETATM 34 O HYP A 6 -13.730 -5.180 15.314 1.00 92.24 O +HETATM 35 CB HYP A 6 -13.822 -2.265 16.625 1.00 92.33 C +HETATM 36 CG HYP A 6 -14.034 -2.111 18.093 1.00 90.26 C +HETATM 37 CD HYP A 6 -14.406 -3.501 18.535 1.00 92.80 C +HETATM 38 OD1 HYP A 6 -15.092 -1.217 18.371 1.00 89.17 O +ATOM 39 N GLY A 7 -14.828 -3.835 13.832 1.00 95.22 N +ATOM 40 CA GLY A 7 -14.422 -4.577 12.666 1.00 94.25 C +ATOM 41 C GLY A 7 -12.927 -4.456 12.418 1.00 94.40 C +ATOM 42 O GLY A 7 -12.244 -3.637 13.044 1.00 93.91 O +ATOM 43 N PRO A 8 -12.409 -5.257 11.499 1.00 93.84 N +ATOM 44 CA PRO A 8 -10.985 -5.216 11.193 1.00 93.65 C +ATOM 45 C PRO A 8 -10.611 -3.943 10.453 1.00 93.72 C +ATOM 46 O PRO A 8 -11.448 -3.309 9.817 1.00 92.21 O +ATOM 47 CB PRO A 8 -10.771 -6.455 10.324 1.00 91.95 C +ATOM 48 CG PRO A 8 -12.090 -6.626 9.656 1.00 91.10 C +ATOM 49 CD PRO A 8 -13.116 -6.250 10.700 1.00 92.46 C +HETATM 50 N HYP A 9 -9.395 -3.567 10.504 1.00 93.77 N +HETATM 51 CA HYP A 9 -8.866 -2.447 9.737 1.00 92.37 C +HETATM 52 C HYP A 9 -9.006 -2.648 8.279 1.00 94.28 C +HETATM 53 O HYP A 9 -8.935 -3.781 7.796 1.00 91.56 O +HETATM 54 CB HYP A 9 -7.336 -2.435 10.136 1.00 92.14 C +HETATM 55 CG HYP A 9 -7.311 -3.059 11.494 1.00 90.13 C +HETATM 56 CD HYP A 9 -8.397 -4.115 11.372 1.00 93.56 C +HETATM 57 OD1 HYP A 9 -7.689 -2.124 12.487 1.00 85.99 O +ATOM 58 N GLY A 10 -9.224 -1.565 7.564 1.00 95.21 N +ATOM 59 CA GLY A 10 -9.339 -1.634 6.129 1.00 94.35 C +ATOM 60 C GLY A 10 -8.022 -2.059 5.490 1.00 94.64 C +ATOM 61 O GLY A 10 -6.985 -2.135 6.152 1.00 93.88 O +ATOM 62 N PRO A 11 -8.045 -2.322 4.179 1.00 92.29 N +ATOM 63 CA PRO A 11 -6.820 -2.753 3.501 1.00 91.51 C +ATOM 64 C PRO A 11 -5.814 -1.619 3.364 1.00 90.81 C +ATOM 65 O PRO A 11 -6.163 -0.442 3.379 1.00 87.72 O +ATOM 66 CB PRO A 11 -7.321 -3.216 2.134 1.00 89.71 C +ATOM 67 CG PRO A 11 -8.530 -2.371 1.914 1.00 89.92 C +ATOM 68 CD PRO A 11 -9.176 -2.251 3.273 1.00 91.34 C +ATOM 69 N VAL A 12 -4.548 -2.005 3.229 1.00 93.50 N +ATOM 70 CA VAL A 12 -3.491 -1.036 2.988 1.00 92.72 C +ATOM 71 C VAL A 12 -3.756 -0.378 1.639 1.00 93.32 C +ATOM 72 O VAL A 12 -4.246 -1.028 0.709 1.00 91.96 O +ATOM 73 CB VAL A 12 -2.107 -1.721 3.000 1.00 89.90 C +ATOM 74 CG1 VAL A 12 -1.003 -0.733 2.663 1.00 86.44 C +ATOM 75 CG2 VAL A 12 -1.849 -2.342 4.365 1.00 86.00 C +ATOM 76 N GLY A 13 -3.461 0.908 1.554 1.00 93.97 N +ATOM 77 CA GLY A 13 -3.689 1.634 0.317 1.00 93.44 C +ATOM 78 C GLY A 13 -2.823 1.141 -0.824 1.00 93.91 C +ATOM 79 O GLY A 13 -1.895 0.356 -0.631 1.00 93.49 O +ATOM 80 N PRO A 14 -3.115 1.609 -2.041 1.00 93.91 N +ATOM 81 CA PRO A 14 -2.352 1.175 -3.208 1.00 94.08 C +ATOM 82 C PRO A 14 -0.937 1.723 -3.188 1.00 94.21 C +ATOM 83 O PRO A 14 -0.646 2.716 -2.530 1.00 92.84 O +ATOM 84 CB PRO A 14 -3.153 1.736 -4.384 1.00 92.55 C +ATOM 85 CG PRO A 14 -3.809 2.943 -3.811 1.00 91.61 C +ATOM 86 CD PRO A 14 -4.165 2.552 -2.398 1.00 92.71 C +HETATM 87 N HYP A 15 -0.071 1.103 -3.964 1.00 92.86 N +HETATM 88 CA HYP A 15 1.302 1.563 -4.092 1.00 91.48 C +HETATM 89 C HYP A 15 1.406 2.964 -4.675 1.00 93.88 C +HETATM 90 O HYP A 15 0.531 3.385 -5.456 1.00 89.47 O +HETATM 91 CB HYP A 15 1.877 0.564 -5.105 1.00 89.78 C +HETATM 92 CG HYP A 15 1.027 -0.684 -4.917 1.00 88.06 C +HETATM 93 CD HYP A 15 -0.335 -0.113 -4.682 1.00 92.20 C +HETATM 94 OD1 HYP A 15 1.427 -1.421 -3.806 1.00 90.88 O +ATOM 95 N GLY A 16 2.362 3.696 -4.235 1.00 95.61 N +ATOM 96 CA GLY A 16 2.573 5.007 -4.789 1.00 94.75 C +ATOM 97 C GLY A 16 3.040 4.904 -6.231 1.00 95.23 C +ATOM 98 O GLY A 16 3.341 3.819 -6.731 1.00 94.82 O +ATOM 99 N PRO A 17 3.104 6.050 -6.921 1.00 91.50 N +ATOM 100 CA PRO A 17 3.530 6.036 -8.315 1.00 91.58 C +ATOM 101 C PRO A 17 5.011 5.704 -8.444 1.00 91.52 C +ATOM 102 O PRO A 17 5.793 5.911 -7.525 1.00 90.11 O +ATOM 103 CB PRO A 17 3.230 7.454 -8.794 1.00 89.52 C +ATOM 104 CG PRO A 17 3.339 8.267 -7.551 1.00 88.49 C +ATOM 105 CD PRO A 17 2.776 7.394 -6.457 1.00 90.30 C +HETATM 106 N HYP A 18 5.400 5.195 -9.623 1.00 92.99 N +HETATM 107 CA HYP A 18 6.807 4.943 -9.883 1.00 93.08 C +HETATM 108 C HYP A 18 7.630 6.210 -9.858 1.00 92.75 C +HETATM 109 O HYP A 18 7.143 7.301 -10.228 1.00 92.95 O +HETATM 110 CB HYP A 18 6.775 4.375 -11.308 1.00 92.67 C +HETATM 111 CG HYP A 18 5.418 3.761 -11.461 1.00 91.85 C +HETATM 112 CD HYP A 18 4.541 4.688 -10.684 1.00 92.38 C +HETATM 113 OD1 HYP A 18 5.356 2.480 -10.896 1.00 90.98 O +ATOM 114 N GLY A 19 8.851 6.102 -9.370 1.00 93.60 N +ATOM 115 CA GLY A 19 9.737 7.232 -9.337 1.00 92.89 C +ATOM 116 C GLY A 19 10.130 7.645 -10.746 1.00 93.41 C +ATOM 117 O GLY A 19 9.863 6.929 -11.713 1.00 92.96 O +ATOM 118 N PRO A 20 10.789 8.789 -10.875 1.00 90.61 N +ATOM 119 CA PRO A 20 11.203 9.260 -12.195 1.00 90.45 C +ATOM 120 C PRO A 20 12.345 8.415 -12.744 1.00 90.21 C +ATOM 121 O PRO A 20 13.073 7.771 -11.996 1.00 88.40 O +ATOM 122 CB PRO A 20 11.631 10.700 -11.934 1.00 87.79 C +ATOM 123 CG PRO A 20 12.089 10.678 -10.513 1.00 86.13 C +ATOM 124 CD PRO A 20 11.157 9.722 -9.816 1.00 88.80 C +HETATM 125 N HYP A 21 12.521 8.422 -14.083 1.00 93.96 N +HETATM 126 CA HYP A 21 13.632 7.737 -14.675 1.00 92.08 C +HETATM 127 C HYP A 21 14.979 8.250 -14.229 1.00 95.06 C +HETATM 128 O HYP A 21 15.100 9.441 -13.916 1.00 91.94 O +HETATM 129 CB HYP A 21 13.457 8.048 -16.180 1.00 93.12 C +HETATM 130 CG HYP A 21 12.004 8.311 -16.364 1.00 91.91 C +HETATM 131 CD HYP A 21 11.629 8.998 -15.077 1.00 93.23 C +HETATM 132 OD1 HYP A 21 11.296 7.103 -16.479 1.00 89.80 O +ATOM 133 N GLY A 22 15.958 7.398 -14.100 1.00 89.31 N +ATOM 134 CA GLY A 22 17.284 7.811 -13.725 1.00 88.36 C +ATOM 135 C GLY A 22 17.894 8.700 -14.793 1.00 88.44 C +ATOM 136 O GLY A 22 17.342 8.843 -15.890 1.00 86.93 O +ATOM 137 N PRO A 23 19.062 9.298 -14.519 1.00 87.91 N +ATOM 138 CA PRO A 23 19.700 10.179 -15.495 1.00 87.76 C +ATOM 139 C PRO A 23 20.199 9.392 -16.695 1.00 87.13 C +ATOM 140 O PRO A 23 20.526 8.208 -16.595 1.00 83.24 O +ATOM 141 CB PRO A 23 20.843 10.812 -14.712 1.00 83.49 C +ATOM 142 CG PRO A 23 21.162 9.803 -13.671 1.00 80.57 C +ATOM 143 CD PRO A 23 19.835 9.194 -13.288 1.00 82.80 C +HETATM 144 N HYP A 24 20.338 10.017 -17.850 1.00 89.27 N +HETATM 145 CA HYP A 24 20.808 9.307 -19.009 1.00 86.52 C +HETATM 146 C HYP A 24 22.246 8.873 -18.858 1.00 88.69 C +HETATM 147 O HYP A 24 23.000 9.615 -18.196 1.00 88.96 O +HETATM 148 CB HYP A 24 20.778 10.398 -20.161 1.00 89.32 C +HETATM 149 CG HYP A 24 19.860 11.462 -19.658 1.00 88.33 C +HETATM 150 CD HYP A 24 19.982 11.385 -18.125 1.00 88.81 C +HETATM 151 OD1 HYP A 24 18.539 11.118 -20.007 1.00 84.25 O +HETATM 152 OXT HYP A 24 22.565 7.820 -19.420 1.00 80.81 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_620.txt b/protein_pdb_620.txt new file mode 100644 index 0000000000000000000000000000000000000000..48ce38e7a661708c18329344757320b30de31f1a --- /dev/null +++ b/protein_pdb_620.txt @@ -0,0 +1,209 @@ +ATOM 1 N GLY A 1 30.284 -7.816 -37.251 1.00 93.26 N +ATOM 2 CA GLY A 1 29.167 -8.677 -36.840 1.00 94.88 C +ATOM 3 C GLY A 1 27.954 -7.866 -36.445 1.00 95.39 C +ATOM 4 O GLY A 1 28.060 -6.656 -36.232 1.00 92.51 O +ATOM 5 N ASP A 2 26.796 -8.504 -36.364 1.00 97.37 N +ATOM 6 CA ASP A 2 25.562 -7.817 -35.985 1.00 97.63 C +ATOM 7 C ASP A 2 25.546 -7.538 -34.481 1.00 97.60 C +ATOM 8 O ASP A 2 26.111 -8.286 -33.679 1.00 96.46 O +ATOM 9 CB ASP A 2 24.343 -8.669 -36.356 1.00 95.83 C +ATOM 10 CG ASP A 2 24.220 -8.883 -37.862 1.00 90.65 C +ATOM 11 OD1 ASP A 2 24.576 -7.965 -38.628 1.00 88.69 O +ATOM 12 OD2 ASP A 2 23.766 -9.974 -38.267 1.00 85.38 O +ATOM 13 N ARG A 3 24.887 -6.440 -34.092 1.00 95.23 N +ATOM 14 CA ARG A 3 24.752 -6.089 -32.690 1.00 95.91 C +ATOM 15 C ARG A 3 23.861 -7.108 -31.981 1.00 95.73 C +ATOM 16 O ARG A 3 22.884 -7.592 -32.552 1.00 93.25 O +ATOM 17 CB ARG A 3 24.171 -4.674 -32.549 1.00 91.95 C +ATOM 18 CG ARG A 3 24.082 -4.193 -31.103 1.00 85.78 C +ATOM 19 CD ARG A 3 23.507 -2.790 -31.025 1.00 82.29 C +ATOM 20 NE ARG A 3 23.415 -2.309 -29.651 1.00 77.18 N +ATOM 21 CZ ARG A 3 22.902 -1.156 -29.294 1.00 74.01 C +ATOM 22 NH1 ARG A 3 22.401 -0.326 -30.196 1.00 70.77 N +ATOM 23 NH2 ARG A 3 22.866 -0.813 -28.022 1.00 69.85 N +ATOM 24 N GLY A 4 24.187 -7.420 -30.744 1.00 97.79 N +ATOM 25 CA GLY A 4 23.399 -8.362 -29.970 1.00 97.65 C +ATOM 26 C GLY A 4 21.994 -7.852 -29.694 1.00 97.93 C +ATOM 27 O GLY A 4 21.734 -6.647 -29.747 1.00 97.76 O +ATOM 28 N GLU A 5 21.084 -8.771 -29.391 1.00 97.66 N +ATOM 29 CA GLU A 5 19.699 -8.423 -29.097 1.00 97.92 C +ATOM 30 C GLU A 5 19.597 -7.673 -27.774 1.00 98.16 C +ATOM 31 O GLU A 5 20.402 -7.877 -26.859 1.00 97.53 O +ATOM 32 CB GLU A 5 18.819 -9.675 -29.034 1.00 95.98 C +ATOM 33 CG GLU A 5 18.704 -10.407 -30.367 1.00 86.34 C +ATOM 34 CD GLU A 5 17.851 -11.664 -30.272 1.00 80.87 C +ATOM 35 OE1 GLU A 5 17.716 -12.204 -29.156 1.00 75.94 O +ATOM 36 OE2 GLU A 5 17.334 -12.117 -31.308 1.00 76.03 O +ATOM 37 N THR A 6 18.598 -6.800 -27.669 1.00 97.97 N +ATOM 38 CA THR A 6 18.346 -6.081 -26.424 1.00 97.94 C +ATOM 39 C THR A 6 17.842 -7.079 -25.379 1.00 98.02 C +ATOM 40 O THR A 6 17.002 -7.933 -25.678 1.00 97.50 O +ATOM 41 CB THR A 6 17.306 -4.972 -26.629 1.00 96.88 C +ATOM 42 OG1 THR A 6 17.783 -4.053 -27.611 1.00 93.23 O +ATOM 43 CG2 THR A 6 17.034 -4.217 -25.333 1.00 91.45 C +ATOM 44 N GLY A 7 18.351 -6.984 -24.157 1.00 98.28 N +ATOM 45 CA GLY A 7 17.933 -7.882 -23.099 1.00 98.00 C +ATOM 46 C GLY A 7 16.476 -7.669 -22.698 1.00 98.30 C +ATOM 47 O GLY A 7 15.876 -6.646 -23.027 1.00 98.44 O +ATOM 48 N PRO A 8 15.893 -8.624 -21.976 1.00 98.27 N +ATOM 49 CA PRO A 8 14.499 -8.503 -21.546 1.00 98.34 C +ATOM 50 C PRO A 8 14.329 -7.413 -20.490 1.00 98.45 C +ATOM 51 O PRO A 8 15.278 -7.033 -19.803 1.00 98.29 O +ATOM 52 CB PRO A 8 14.172 -9.890 -20.968 1.00 97.66 C +ATOM 53 CG PRO A 8 15.496 -10.375 -20.462 1.00 96.16 C +ATOM 54 CD PRO A 8 16.495 -9.874 -21.493 1.00 97.89 C +ATOM 55 N ALA A 9 13.101 -6.912 -20.373 1.00 97.88 N +ATOM 56 CA ALA A 9 12.794 -5.912 -19.357 1.00 97.93 C +ATOM 57 C ALA A 9 12.938 -6.534 -17.972 1.00 98.05 C +ATOM 58 O ALA A 9 12.694 -7.727 -17.782 1.00 97.24 O +ATOM 59 CB ALA A 9 11.378 -5.374 -19.556 1.00 96.77 C +ATOM 60 N GLY A 10 13.343 -5.724 -16.997 1.00 98.06 N +ATOM 61 CA GLY A 10 13.498 -6.210 -15.639 1.00 97.78 C +ATOM 62 C GLY A 10 12.156 -6.539 -15.006 1.00 98.14 C +ATOM 63 O GLY A 10 11.103 -6.130 -15.490 1.00 98.33 O +ATOM 64 N PRO A 11 12.180 -7.268 -13.884 1.00 98.47 N +ATOM 65 CA PRO A 11 10.941 -7.628 -13.195 1.00 98.43 C +ATOM 66 C PRO A 11 10.282 -6.411 -12.557 1.00 98.56 C +ATOM 67 O PRO A 11 10.935 -5.399 -12.276 1.00 98.36 O +ATOM 68 CB PRO A 11 11.390 -8.637 -12.140 1.00 97.87 C +ATOM 69 CG PRO A 11 12.801 -8.238 -11.840 1.00 96.69 C +ATOM 70 CD PRO A 11 13.358 -7.804 -13.185 1.00 98.14 C +ATOM 71 N ALA A 12 8.973 -6.516 -12.323 1.00 98.36 N +ATOM 72 CA ALA A 12 8.240 -5.448 -11.658 1.00 98.32 C +ATOM 73 C ALA A 12 8.724 -5.308 -10.215 1.00 98.46 C +ATOM 74 O ALA A 12 9.139 -6.293 -9.592 1.00 97.72 O +ATOM 75 CB ALA A 12 6.742 -5.735 -11.685 1.00 97.61 C +ATOM 76 N GLY A 13 8.673 -4.094 -9.693 1.00 98.18 N +ATOM 77 CA GLY A 13 9.095 -3.852 -8.325 1.00 97.95 C +ATOM 78 C GLY A 13 8.136 -4.473 -7.319 1.00 98.24 C +ATOM 79 O GLY A 13 7.031 -4.877 -7.671 1.00 98.41 O +ATOM 80 N PRO A 14 8.546 -4.531 -6.043 1.00 98.48 N +ATOM 81 CA PRO A 14 7.690 -5.120 -5.013 1.00 98.43 C +ATOM 82 C PRO A 14 6.462 -4.262 -4.733 1.00 98.52 C +ATOM 83 O PRO A 14 6.467 -3.041 -4.949 1.00 98.22 O +ATOM 84 CB PRO A 14 8.600 -5.203 -3.786 1.00 97.70 C +ATOM 85 CG PRO A 14 9.564 -4.075 -3.997 1.00 96.62 C +ATOM 86 CD PRO A 14 9.816 -4.066 -5.488 1.00 98.05 C +ATOM 87 N VAL A 15 5.395 -4.906 -4.255 1.00 98.33 N +ATOM 88 CA VAL A 15 4.169 -4.206 -3.879 1.00 98.32 C +ATOM 89 C VAL A 15 4.419 -3.455 -2.575 1.00 98.32 C +ATOM 90 O VAL A 15 5.042 -3.992 -1.651 1.00 98.12 O +ATOM 91 CB VAL A 15 2.993 -5.187 -3.724 1.00 97.53 C +ATOM 92 CG1 VAL A 15 1.737 -4.461 -3.276 1.00 92.42 C +ATOM 93 CG2 VAL A 15 2.736 -5.914 -5.037 1.00 92.83 C +ATOM 94 N ALA A 16 3.944 -2.218 -2.504 1.00 98.07 N +ATOM 95 CA ALA A 16 4.128 -1.409 -1.303 1.00 97.98 C +ATOM 96 C ALA A 16 3.314 -1.993 -0.139 1.00 98.17 C +ATOM 97 O ALA A 16 2.261 -2.601 -0.348 1.00 98.08 O +ATOM 98 CB ALA A 16 3.705 0.033 -1.566 1.00 96.87 C +ATOM 99 N PRO A 17 3.775 -1.810 1.105 1.00 98.50 N +ATOM 100 CA PRO A 17 3.034 -2.298 2.272 1.00 98.40 C +ATOM 101 C PRO A 17 1.670 -1.627 2.377 1.00 98.41 C +ATOM 102 O PRO A 17 1.474 -0.501 1.923 1.00 98.21 O +ATOM 103 CB PRO A 17 3.919 -1.925 3.459 1.00 97.77 C +ATOM 104 CG PRO A 17 5.286 -1.760 2.878 1.00 96.92 C +ATOM 105 CD PRO A 17 5.050 -1.203 1.508 1.00 98.03 C +ATOM 106 N ALA A 18 0.716 -2.332 2.997 1.00 98.55 N +ATOM 107 CA ALA A 18 -0.606 -1.766 3.227 1.00 98.52 C +ATOM 108 C ALA A 18 -0.506 -0.596 4.199 1.00 98.57 C +ATOM 109 O ALA A 18 0.376 -0.573 5.069 1.00 97.87 O +ATOM 110 CB ALA A 18 -1.553 -2.831 3.778 1.00 97.77 C +ATOM 111 N GLY A 19 -1.400 0.375 4.046 1.00 98.45 N +ATOM 112 CA GLY A 19 -1.410 1.522 4.937 1.00 98.21 C +ATOM 113 C GLY A 19 -1.775 1.124 6.361 1.00 98.36 C +ATOM 114 O GLY A 19 -2.380 0.079 6.598 1.00 98.32 O +ATOM 115 N ALA A 20 -1.403 1.973 7.314 1.00 98.44 N +ATOM 116 CA ALA A 20 -1.695 1.722 8.715 1.00 98.22 C +ATOM 117 C ALA A 20 -3.195 1.809 8.976 1.00 98.39 C +ATOM 118 O ALA A 20 -3.929 2.518 8.283 1.00 97.99 O +ATOM 119 CB ALA A 20 -0.958 2.723 9.598 1.00 97.42 C +ATOM 120 N ARG A 21 -3.654 1.089 9.997 1.00 98.19 N +ATOM 121 CA ARG A 21 -5.050 1.143 10.378 1.00 98.08 C +ATOM 122 C ARG A 21 -5.384 2.544 10.878 1.00 98.03 C +ATOM 123 O ARG A 21 -4.552 3.200 11.504 1.00 97.61 O +ATOM 124 CB ARG A 21 -5.345 0.097 11.472 1.00 96.72 C +ATOM 125 CG ARG A 21 -6.816 0.036 11.885 1.00 91.89 C +ATOM 126 CD ARG A 21 -7.046 -1.020 12.948 1.00 88.21 C +ATOM 127 NE ARG A 21 -8.444 -1.091 13.346 1.00 82.47 N +ATOM 128 CZ ARG A 21 -8.931 -1.901 14.268 1.00 79.26 C +ATOM 129 NH1 ARG A 21 -8.135 -2.732 14.915 1.00 75.69 N +ATOM 130 NH2 ARG A 21 -10.215 -1.891 14.552 1.00 74.28 N +ATOM 131 N GLY A 22 -6.608 2.991 10.608 1.00 98.53 N +ATOM 132 CA GLY A 22 -7.039 4.303 11.049 1.00 98.44 C +ATOM 133 C GLY A 22 -7.161 4.396 12.558 1.00 98.53 C +ATOM 134 O GLY A 22 -7.117 3.378 13.258 1.00 98.44 O +ATOM 135 N PRO A 23 -7.322 5.614 13.091 1.00 98.23 N +ATOM 136 CA PRO A 23 -7.431 5.805 14.532 1.00 98.17 C +ATOM 137 C PRO A 23 -8.720 5.221 15.082 1.00 98.32 C +ATOM 138 O PRO A 23 -9.695 5.042 14.358 1.00 98.13 O +ATOM 139 CB PRO A 23 -7.394 7.326 14.697 1.00 97.33 C +ATOM 140 CG PRO A 23 -7.944 7.831 13.406 1.00 95.64 C +ATOM 141 CD PRO A 23 -7.415 6.874 12.364 1.00 97.40 C +HETATM 142 N HYP A 24 -8.763 4.973 16.376 1.00 98.29 N +HETATM 143 CA HYP A 24 -9.922 4.488 17.063 1.00 98.15 C +HETATM 144 C HYP A 24 -11.061 5.506 16.952 1.00 98.37 C +HETATM 145 O HYP A 24 -10.808 6.720 16.878 1.00 97.99 O +HETATM 146 CB HYP A 24 -9.452 4.305 18.508 1.00 97.40 C +HETATM 147 CG HYP A 24 -7.968 4.092 18.403 1.00 95.40 C +HETATM 148 CD HYP A 24 -7.594 4.988 17.269 1.00 97.10 C +HETATM 149 OD1 HYP A 24 -7.675 2.756 18.083 1.00 95.87 O +ATOM 150 N GLY A 25 -12.263 5.009 16.937 1.00 98.43 N +ATOM 151 CA GLY A 25 -13.408 5.887 16.911 1.00 98.49 C +ATOM 152 C GLY A 25 -13.552 6.638 18.228 1.00 98.52 C +ATOM 153 O GLY A 25 -12.873 6.333 19.212 1.00 98.39 O +ATOM 154 N PRO A 26 -14.458 7.626 18.263 1.00 97.92 N +ATOM 155 CA PRO A 26 -14.665 8.416 19.477 1.00 97.89 C +ATOM 156 C PRO A 26 -15.300 7.586 20.582 1.00 97.91 C +ATOM 157 O PRO A 26 -15.946 6.577 20.322 1.00 97.58 O +ATOM 158 CB PRO A 26 -15.594 9.538 19.008 1.00 96.82 C +ATOM 159 CG PRO A 26 -16.333 8.927 17.868 1.00 95.11 C +ATOM 160 CD PRO A 26 -15.322 8.054 17.173 1.00 97.16 C +HETATM 161 N HYP A 27 -15.148 8.015 21.818 1.00 97.98 N +HETATM 162 CA HYP A 27 -15.768 7.351 22.961 1.00 97.47 C +HETATM 163 C HYP A 27 -17.291 7.365 22.837 1.00 97.88 C +HETATM 164 O HYP A 27 -17.873 8.310 22.312 1.00 97.54 O +HETATM 165 CB HYP A 27 -15.312 8.246 24.159 1.00 95.68 C +HETATM 166 CG HYP A 27 -14.049 8.932 23.705 1.00 94.07 C +HETATM 167 CD HYP A 27 -14.287 9.129 22.227 1.00 95.98 C +HETATM 168 OD1 HYP A 27 -12.923 8.081 23.868 1.00 94.11 O +ATOM 169 N GLY A 28 -17.912 6.304 23.305 1.00 96.84 N +ATOM 170 CA GLY A 28 -19.352 6.233 23.298 1.00 96.87 C +ATOM 171 C GLY A 28 -19.949 7.203 24.298 1.00 97.31 C +ATOM 172 O GLY A 28 -19.240 7.798 25.114 1.00 97.05 O +ATOM 173 N PRO A 29 -21.280 7.379 24.264 1.00 95.12 N +ATOM 174 CA PRO A 29 -21.947 8.303 25.178 1.00 94.75 C +ATOM 175 C PRO A 29 -21.891 7.794 26.615 1.00 95.04 C +ATOM 176 O PRO A 29 -21.730 6.600 26.856 1.00 94.45 O +ATOM 177 CB PRO A 29 -23.377 8.346 24.647 1.00 92.56 C +ATOM 178 CG PRO A 29 -23.543 7.017 23.979 1.00 90.94 C +ATOM 179 CD PRO A 29 -22.205 6.733 23.349 1.00 94.23 C +HETATM 180 N HYP A 30 -22.053 8.683 27.602 1.00 96.48 N +HETATM 181 CA HYP A 30 -22.080 8.283 28.991 1.00 93.39 C +HETATM 182 C HYP A 30 -23.250 7.359 29.313 1.00 96.29 C +HETATM 183 O HYP A 30 -24.284 7.467 28.687 1.00 94.17 O +HETATM 184 CB HYP A 30 -22.311 9.669 29.737 1.00 92.54 C +HETATM 185 CG HYP A 30 -21.783 10.719 28.793 1.00 90.43 C +HETATM 186 CD HYP A 30 -22.100 10.145 27.423 1.00 93.56 C +HETATM 187 OD1 HYP A 30 -20.366 10.834 28.907 1.00 90.02 O +ATOM 188 N GLY A 31 -23.041 6.440 30.222 1.00 90.54 N +ATOM 189 CA GLY A 31 -24.098 5.539 30.614 1.00 90.28 C +ATOM 190 C GLY A 31 -25.219 6.281 31.318 1.00 91.04 C +ATOM 191 O GLY A 31 -25.061 7.446 31.696 1.00 90.07 O +ATOM 192 N PRO A 32 -26.376 5.627 31.547 1.00 91.81 N +ATOM 193 CA PRO A 32 -27.500 6.264 32.215 1.00 91.75 C +ATOM 194 C PRO A 32 -27.165 6.587 33.663 1.00 91.14 C +ATOM 195 O PRO A 32 -26.404 5.867 34.308 1.00 88.37 O +ATOM 196 CB PRO A 32 -28.623 5.233 32.099 1.00 88.08 C +ATOM 197 CG PRO A 32 -27.904 3.936 31.975 1.00 85.73 C +ATOM 198 CD PRO A 32 -26.674 4.246 31.165 1.00 89.71 C +HETATM 199 N HYP A 33 -27.792 7.647 34.203 1.00 95.76 N +HETATM 200 CA HYP A 33 -27.459 7.969 35.578 1.00 90.72 C +HETATM 201 C HYP A 33 -27.749 6.851 36.526 1.00 89.16 C +HETATM 202 O HYP A 33 -28.814 6.235 36.418 1.00 89.06 O +HETATM 203 CB HYP A 33 -28.343 9.239 35.893 1.00 87.84 C +HETATM 204 CG HYP A 33 -28.786 9.780 34.553 1.00 85.06 C +HETATM 205 CD HYP A 33 -28.742 8.586 33.607 1.00 91.62 C +HETATM 206 OD1 HYP A 33 -27.836 10.738 34.110 1.00 83.10 O +HETATM 207 OXT HYP A 33 -26.817 6.576 37.311 1.00 91.04 O +TER 208 HYP A 33 +END diff --git a/protein_pdb_621.txt b/protein_pdb_621.txt new file mode 100644 index 0000000000000000000000000000000000000000..a4e02c8b676d9e07d8d02db954f39c2e9fdb9c36 --- /dev/null +++ b/protein_pdb_621.txt @@ -0,0 +1,1589 @@ +ATOM 1 N GLY A 1 15.609 85.361 -43.245 1.00 65.46 N +ATOM 2 CA GLY A 1 14.659 84.281 -42.925 1.00 70.30 C +ATOM 3 C GLY A 1 14.998 83.711 -41.577 1.00 68.13 C +ATOM 4 O GLY A 1 16.176 83.600 -41.271 1.00 65.21 O +ATOM 5 N LEU A 2 13.984 83.427 -40.766 1.00 76.04 N +ATOM 6 CA LEU A 2 14.179 82.825 -39.447 1.00 79.16 C +ATOM 7 C LEU A 2 14.615 81.350 -39.599 1.00 76.50 C +ATOM 8 O LEU A 2 14.133 80.676 -40.517 1.00 74.64 O +ATOM 9 CB LEU A 2 12.870 82.940 -38.633 1.00 76.62 C +ATOM 10 CG LEU A 2 12.486 84.383 -38.250 1.00 68.02 C +ATOM 11 CD1 LEU A 2 11.050 84.427 -37.729 1.00 63.80 C +ATOM 12 CD2 LEU A 2 13.413 84.947 -37.170 1.00 62.67 C +ATOM 13 N PRO A 3 15.509 80.837 -38.741 1.00 76.63 N +ATOM 14 CA PRO A 3 15.888 79.426 -38.772 1.00 79.22 C +ATOM 15 C PRO A 3 14.693 78.531 -38.400 1.00 77.08 C +ATOM 16 O PRO A 3 13.909 78.855 -37.513 1.00 72.51 O +ATOM 17 CB PRO A 3 17.056 79.286 -37.789 1.00 77.27 C +ATOM 18 CG PRO A 3 16.843 80.438 -36.808 1.00 73.86 C +ATOM 19 CD PRO A 3 16.195 81.529 -37.647 1.00 75.67 C +ATOM 20 N GLY A 4 14.575 77.412 -39.093 1.00 77.56 N +ATOM 21 CA GLY A 4 13.501 76.439 -38.871 1.00 78.75 C +ATOM 22 C GLY A 4 13.583 75.761 -37.495 1.00 78.98 C +ATOM 23 O GLY A 4 14.651 75.745 -36.876 1.00 78.17 O +ATOM 24 N PRO A 5 12.471 75.213 -37.004 1.00 73.07 N +ATOM 25 CA PRO A 5 12.412 74.589 -35.698 1.00 76.28 C +ATOM 26 C PRO A 5 13.320 73.358 -35.615 1.00 73.65 C +ATOM 27 O PRO A 5 13.452 72.584 -36.568 1.00 71.36 O +ATOM 28 CB PRO A 5 10.934 74.242 -35.460 1.00 75.73 C +ATOM 29 CG PRO A 5 10.382 74.078 -36.877 1.00 71.50 C +ATOM 30 CD PRO A 5 11.176 75.099 -37.682 1.00 72.67 C +ATOM 31 N ARG A 6 13.959 73.165 -34.445 1.00 77.76 N +ATOM 32 CA ARG A 6 14.795 72.009 -34.130 1.00 81.27 C +ATOM 33 C ARG A 6 13.929 70.752 -34.085 1.00 76.96 C +ATOM 34 O ARG A 6 12.910 70.737 -33.416 1.00 72.05 O +ATOM 35 CB ARG A 6 15.501 72.268 -32.791 1.00 77.43 C +ATOM 36 CG ARG A 6 16.538 71.194 -32.420 1.00 72.06 C +ATOM 37 CD ARG A 6 17.245 71.601 -31.124 1.00 67.11 C +ATOM 38 NE ARG A 6 18.335 70.689 -30.761 1.00 63.82 N +ATOM 39 CZ ARG A 6 19.223 70.880 -29.802 1.00 58.08 C +ATOM 40 NH1 ARG A 6 19.207 71.940 -29.036 1.00 57.31 N +ATOM 41 NH2 ARG A 6 20.171 69.993 -29.590 1.00 57.36 N +ATOM 42 N GLY A 7 14.338 69.721 -34.806 1.00 81.79 N +ATOM 43 CA GLY A 7 13.620 68.448 -34.824 1.00 81.79 C +ATOM 44 C GLY A 7 13.498 67.824 -33.432 1.00 82.30 C +ATOM 45 O GLY A 7 14.411 67.926 -32.617 1.00 80.97 O +ATOM 46 N GLU A 8 12.369 67.191 -33.185 1.00 73.48 N +ATOM 47 CA GLU A 8 12.072 66.518 -31.917 1.00 77.96 C +ATOM 48 C GLU A 8 13.035 65.344 -31.679 1.00 76.31 C +ATOM 49 O GLU A 8 13.426 64.610 -32.587 1.00 75.42 O +ATOM 50 CB GLU A 8 10.607 66.050 -31.878 1.00 74.54 C +ATOM 51 CG GLU A 8 9.616 67.230 -31.894 1.00 65.68 C +ATOM 52 CD GLU A 8 8.150 66.798 -31.736 1.00 61.77 C +ATOM 53 OE1 GLU A 8 7.329 67.693 -31.399 1.00 58.20 O +ATOM 54 OE2 GLU A 8 7.855 65.608 -31.940 1.00 57.73 O +ATOM 55 N GLN A 9 13.453 65.196 -30.425 1.00 72.18 N +ATOM 56 CA GLN A 9 14.314 64.098 -30.002 1.00 76.09 C +ATOM 57 C GLN A 9 13.535 62.780 -30.070 1.00 72.75 C +ATOM 58 O GLN A 9 12.449 62.662 -29.516 1.00 68.45 O +ATOM 59 CB GLN A 9 14.843 64.410 -28.589 1.00 74.40 C +ATOM 60 CG GLN A 9 15.847 63.374 -28.075 1.00 69.37 C +ATOM 61 CD GLN A 9 16.481 63.785 -26.740 1.00 65.05 C +ATOM 62 OE1 GLN A 9 16.303 64.869 -26.216 1.00 64.93 O +ATOM 63 NE2 GLN A 9 17.268 62.928 -26.142 1.00 60.48 N +ATOM 64 N GLY A 10 14.089 61.774 -30.742 1.00 79.76 N +ATOM 65 CA GLY A 10 13.454 60.463 -30.874 1.00 80.55 C +ATOM 66 C GLY A 10 13.207 59.785 -29.518 1.00 81.23 C +ATOM 67 O GLY A 10 13.952 60.026 -28.563 1.00 80.05 O +ATOM 68 N PRO A 11 12.185 58.934 -29.421 1.00 67.17 N +ATOM 69 CA PRO A 11 11.819 58.282 -28.165 1.00 71.24 C +ATOM 70 C PRO A 11 12.952 57.392 -27.645 1.00 68.12 C +ATOM 71 O PRO A 11 13.605 56.665 -28.403 1.00 66.53 O +ATOM 72 CB PRO A 11 10.538 57.492 -28.459 1.00 70.95 C +ATOM 73 CG PRO A 11 10.620 57.229 -29.964 1.00 67.13 C +ATOM 74 CD PRO A 11 11.312 58.480 -30.500 1.00 68.31 C +ATOM 75 N THR A 12 13.174 57.453 -26.335 1.00 76.79 N +ATOM 76 CA THR A 12 14.120 56.573 -25.644 1.00 78.82 C +ATOM 77 C THR A 12 13.695 55.111 -25.829 1.00 74.35 C +ATOM 78 O THR A 12 12.541 54.761 -25.586 1.00 69.74 O +ATOM 79 CB THR A 12 14.195 56.924 -24.151 1.00 76.45 C +ATOM 80 OG1 THR A 12 14.482 58.295 -23.996 1.00 71.18 O +ATOM 81 CG2 THR A 12 15.275 56.163 -23.401 1.00 69.05 C +ATOM 82 N GLY A 13 14.605 54.249 -26.265 1.00 78.49 N +ATOM 83 CA GLY A 13 14.333 52.824 -26.477 1.00 79.53 C +ATOM 84 C GLY A 13 13.891 52.111 -25.190 1.00 80.14 C +ATOM 85 O GLY A 13 14.276 52.513 -24.092 1.00 78.70 O +ATOM 86 N PRO A 14 13.111 51.042 -25.310 1.00 72.50 N +ATOM 87 CA PRO A 14 12.578 50.336 -24.153 1.00 75.50 C +ATOM 88 C PRO A 14 13.707 49.741 -23.294 1.00 71.77 C +ATOM 89 O PRO A 14 14.657 49.135 -23.805 1.00 69.49 O +ATOM 90 CB PRO A 14 11.635 49.264 -24.712 1.00 74.68 C +ATOM 91 CG PRO A 14 12.164 49.020 -26.125 1.00 70.32 C +ATOM 92 CD PRO A 14 12.686 50.395 -26.549 1.00 73.16 C +ATOM 93 N MET A 15 13.571 49.925 -21.979 1.00 70.36 N +ATOM 94 CA MET A 15 14.485 49.359 -20.992 1.00 71.82 C +ATOM 95 C MET A 15 14.401 47.821 -21.041 1.00 69.67 C +ATOM 96 O MET A 15 13.320 47.256 -20.957 1.00 67.53 O +ATOM 97 CB MET A 15 14.117 49.923 -19.611 1.00 68.48 C +ATOM 98 CG MET A 15 15.288 49.941 -18.622 1.00 60.57 C +ATOM 99 SD MET A 15 14.835 50.825 -17.101 1.00 56.21 S +ATOM 100 CE MET A 15 16.457 50.957 -16.317 1.00 52.74 C +ATOM 101 N ARG A 16 15.547 47.144 -21.225 1.00 69.25 N +ATOM 102 CA ARG A 16 15.568 45.670 -21.222 1.00 74.68 C +ATOM 103 C ARG A 16 15.196 45.153 -19.824 1.00 73.53 C +ATOM 104 O ARG A 16 15.701 45.689 -18.848 1.00 76.15 O +ATOM 105 CB ARG A 16 16.942 45.129 -21.648 1.00 69.65 C +ATOM 106 CG ARG A 16 17.219 45.368 -23.138 1.00 61.21 C +ATOM 107 CD ARG A 16 18.527 44.677 -23.552 1.00 57.11 C +ATOM 108 NE ARG A 16 18.785 44.817 -24.995 1.00 56.30 N +ATOM 109 CZ ARG A 16 19.379 43.935 -25.780 1.00 49.30 C +ATOM 110 NH1 ARG A 16 19.843 42.801 -25.338 1.00 50.02 N +ATOM 111 NH2 ARG A 16 19.538 44.190 -27.051 1.00 47.94 N +ATOM 112 N PRO A 17 14.352 44.108 -19.717 1.00 69.93 N +ATOM 113 CA PRO A 17 14.028 43.518 -18.431 1.00 72.87 C +ATOM 114 C PRO A 17 15.291 42.955 -17.768 1.00 68.81 C +ATOM 115 O PRO A 17 16.167 42.403 -18.444 1.00 67.66 O +ATOM 116 CB PRO A 17 12.965 42.443 -18.710 1.00 72.92 C +ATOM 117 CG PRO A 17 13.212 42.061 -20.168 1.00 69.04 C +ATOM 118 CD PRO A 17 13.701 43.359 -20.796 1.00 70.72 C +ATOM 119 N ALA A 18 15.380 43.122 -16.441 1.00 76.97 N +ATOM 120 CA ALA A 18 16.448 42.536 -15.655 1.00 78.94 C +ATOM 121 C ALA A 18 16.444 41.006 -15.813 1.00 76.65 C +ATOM 122 O ALA A 18 15.385 40.379 -15.829 1.00 72.47 O +ATOM 123 CB ALA A 18 16.289 42.960 -14.193 1.00 76.38 C +ATOM 124 N GLY A 19 17.631 40.410 -15.940 1.00 72.89 N +ATOM 125 CA GLY A 19 17.775 38.960 -16.027 1.00 74.87 C +ATOM 126 C GLY A 19 17.201 38.257 -14.784 1.00 75.81 C +ATOM 127 O GLY A 19 17.170 38.850 -13.699 1.00 73.81 O +ATOM 128 N PRO A 20 16.763 37.015 -14.923 1.00 67.98 N +ATOM 129 CA PRO A 20 16.197 36.269 -13.813 1.00 72.67 C +ATOM 130 C PRO A 20 17.215 36.143 -12.668 1.00 70.25 C +ATOM 131 O PRO A 20 18.401 35.905 -12.901 1.00 68.30 O +ATOM 132 CB PRO A 20 15.771 34.911 -14.382 1.00 71.95 C +ATOM 133 CG PRO A 20 16.671 34.740 -15.609 1.00 68.54 C +ATOM 134 CD PRO A 20 16.856 36.170 -16.115 1.00 71.02 C +ATOM 135 N ARG A 21 16.716 36.300 -11.425 1.00 67.69 N +ATOM 136 CA ARG A 21 17.523 36.089 -10.221 1.00 72.08 C +ATOM 137 C ARG A 21 18.040 34.641 -10.225 1.00 68.57 C +ATOM 138 O ARG A 21 17.267 33.713 -10.459 1.00 64.91 O +ATOM 139 CB ARG A 21 16.654 36.421 -8.981 1.00 70.56 C +ATOM 140 CG ARG A 21 17.388 36.186 -7.643 1.00 66.82 C +ATOM 141 CD ARG A 21 16.488 36.492 -6.422 1.00 65.92 C +ATOM 142 NE ARG A 21 16.523 37.909 -6.023 1.00 62.18 N +ATOM 143 CZ ARG A 21 15.750 38.487 -5.109 1.00 56.06 C +ATOM 144 NH1 ARG A 21 14.785 37.845 -4.505 1.00 55.42 N +ATOM 145 NH2 ARG A 21 15.934 39.736 -4.778 1.00 53.59 N +ATOM 146 N GLY A 22 19.342 34.474 -9.962 1.00 72.97 N +ATOM 147 CA GLY A 22 19.952 33.145 -9.851 1.00 74.46 C +ATOM 148 C GLY A 22 19.223 32.269 -8.826 1.00 75.54 C +ATOM 149 O GLY A 22 18.775 32.770 -7.794 1.00 72.40 O +ATOM 150 N LEU A 23 19.094 30.985 -9.144 1.00 65.82 N +ATOM 151 CA LEU A 23 18.449 30.009 -8.262 1.00 70.36 C +ATOM 152 C LEU A 23 19.182 29.982 -6.912 1.00 68.81 C +ATOM 153 O LEU A 23 20.411 29.982 -6.856 1.00 67.77 O +ATOM 154 CB LEU A 23 18.427 28.626 -8.925 1.00 68.63 C +ATOM 155 CG LEU A 23 17.565 28.541 -10.198 1.00 62.18 C +ATOM 156 CD1 LEU A 23 17.739 27.173 -10.864 1.00 59.32 C +ATOM 157 CD2 LEU A 23 16.071 28.735 -9.903 1.00 58.20 C +ATOM 158 N GLN A 24 18.402 29.965 -5.836 1.00 68.43 N +ATOM 159 CA GLN A 24 18.924 29.808 -4.484 1.00 71.23 C +ATOM 160 C GLN A 24 19.638 28.452 -4.380 1.00 67.46 C +ATOM 161 O GLN A 24 19.080 27.437 -4.796 1.00 64.22 O +ATOM 162 CB GLN A 24 17.754 29.956 -3.498 1.00 70.84 C +ATOM 163 CG GLN A 24 18.174 29.906 -2.022 1.00 66.77 C +ATOM 164 CD GLN A 24 17.017 30.222 -1.074 1.00 63.61 C +ATOM 165 OE1 GLN A 24 15.937 30.650 -1.467 1.00 61.38 O +ATOM 166 NE2 GLN A 24 17.201 30.067 0.214 1.00 57.12 N +ATOM 167 N GLY A 25 20.861 28.445 -3.859 1.00 69.54 N +ATOM 168 CA GLY A 25 21.622 27.211 -3.657 1.00 71.71 C +ATOM 169 C GLY A 25 20.826 26.209 -2.817 1.00 72.11 C +ATOM 170 O GLY A 25 20.173 26.594 -1.847 1.00 69.34 O +ATOM 171 N LEU A 26 20.866 24.942 -3.214 1.00 63.52 N +ATOM 172 CA LEU A 26 20.202 23.867 -2.489 1.00 67.99 C +ATOM 173 C LEU A 26 20.743 23.808 -1.054 1.00 67.03 C +ATOM 174 O LEU A 26 21.945 23.880 -0.827 1.00 65.52 O +ATOM 175 CB LEU A 26 20.395 22.527 -3.221 1.00 65.90 C +ATOM 176 CG LEU A 26 19.727 22.448 -4.608 1.00 59.94 C +ATOM 177 CD1 LEU A 26 20.119 21.144 -5.314 1.00 57.00 C +ATOM 178 CD2 LEU A 26 18.197 22.484 -4.511 1.00 55.22 C +ATOM 179 N GLN A 27 19.820 23.695 -0.097 1.00 65.51 N +ATOM 180 CA GLN A 27 20.163 23.489 1.306 1.00 69.24 C +ATOM 181 C GLN A 27 20.943 22.175 1.441 1.00 66.76 C +ATOM 182 O GLN A 27 20.518 21.154 0.904 1.00 63.22 O +ATOM 183 CB GLN A 27 18.862 23.513 2.122 1.00 67.84 C +ATOM 184 CG GLN A 27 19.089 23.436 3.632 1.00 64.20 C +ATOM 185 CD GLN A 27 17.800 23.640 4.432 1.00 60.97 C +ATOM 186 OE1 GLN A 27 16.739 23.966 3.917 1.00 59.50 O +ATOM 187 NE2 GLN A 27 17.835 23.477 5.736 1.00 55.49 N +ATOM 188 N GLY A 28 22.088 22.214 2.124 1.00 66.74 N +ATOM 189 CA GLY A 28 22.899 21.027 2.355 1.00 69.12 C +ATOM 190 C GLY A 28 22.080 19.919 3.025 1.00 70.24 C +ATOM 191 O GLY A 28 21.272 20.201 3.910 1.00 68.15 O +ATOM 192 N LEU A 29 22.270 18.675 2.570 1.00 62.54 N +ATOM 193 CA LEU A 29 21.600 17.517 3.140 1.00 67.36 C +ATOM 194 C LEU A 29 21.928 17.417 4.638 1.00 67.12 C +ATOM 195 O LEU A 29 23.075 17.582 5.051 1.00 65.48 O +ATOM 196 CB LEU A 29 22.004 16.237 2.388 1.00 65.05 C +ATOM 197 CG LEU A 29 21.570 16.201 0.910 1.00 59.77 C +ATOM 198 CD1 LEU A 29 22.154 14.976 0.212 1.00 57.03 C +ATOM 199 CD2 LEU A 29 20.045 16.159 0.762 1.00 55.52 C +ATOM 200 N GLN A 30 20.892 17.165 5.438 1.00 67.91 N +ATOM 201 CA GLN A 30 21.050 16.908 6.866 1.00 72.40 C +ATOM 202 C GLN A 30 21.902 15.640 7.046 1.00 69.99 C +ATOM 203 O GLN A 30 21.623 14.628 6.403 1.00 65.99 O +ATOM 204 CB GLN A 30 19.658 16.792 7.495 1.00 69.89 C +ATOM 205 CG GLN A 30 19.690 16.566 9.013 1.00 66.06 C +ATOM 206 CD GLN A 30 18.301 16.591 9.653 1.00 62.23 C +ATOM 207 OE1 GLN A 30 17.303 16.997 9.081 1.00 61.65 O +ATOM 208 NE2 GLN A 30 18.185 16.175 10.895 1.00 58.25 N +ATOM 209 N GLY A 31 22.923 15.708 7.896 1.00 64.84 N +ATOM 210 CA GLY A 31 23.782 14.562 8.181 1.00 67.14 C +ATOM 211 C GLY A 31 22.980 13.360 8.673 1.00 69.00 C +ATOM 212 O GLY A 31 22.024 13.516 9.439 1.00 67.09 O +ATOM 213 N GLU A 32 23.356 12.170 8.207 1.00 61.14 N +ATOM 214 CA GLU A 32 22.686 10.917 8.577 1.00 68.21 C +ATOM 215 C GLU A 32 22.743 10.701 10.089 1.00 67.43 C +ATOM 216 O GLU A 32 23.730 10.981 10.765 1.00 65.71 O +ATOM 217 CB GLU A 32 23.299 9.735 7.819 1.00 65.51 C +ATOM 218 CG GLU A 32 23.064 9.862 6.298 1.00 59.85 C +ATOM 219 CD GLU A 32 23.552 8.646 5.496 1.00 56.42 C +ATOM 220 OE1 GLU A 32 23.101 8.522 4.334 1.00 53.22 O +ATOM 221 OE2 GLU A 32 24.379 7.880 6.036 1.00 52.29 O +ATOM 222 N ARG A 33 21.613 10.233 10.641 1.00 67.28 N +ATOM 223 CA ARG A 33 21.516 9.876 12.060 1.00 71.97 C +ATOM 224 C ARG A 33 22.396 8.663 12.321 1.00 69.18 C +ATOM 225 O ARG A 33 22.246 7.660 11.647 1.00 64.70 O +ATOM 226 CB ARG A 33 20.037 9.611 12.400 1.00 69.21 C +ATOM 227 CG ARG A 33 19.812 9.303 13.880 1.00 66.08 C +ATOM 228 CD ARG A 33 18.319 9.104 14.136 1.00 64.94 C +ATOM 229 NE ARG A 33 18.025 8.862 15.554 1.00 62.38 N +ATOM 230 CZ ARG A 33 16.836 8.704 16.088 1.00 58.41 C +ATOM 231 NH1 ARG A 33 15.751 8.746 15.366 1.00 57.39 N +ATOM 232 NH2 ARG A 33 16.708 8.501 17.376 1.00 55.97 N +ATOM 233 N GLY A 34 23.272 8.754 13.325 1.00 64.08 N +ATOM 234 CA GLY A 34 24.139 7.638 13.706 1.00 65.98 C +ATOM 235 C GLY A 34 23.349 6.351 13.985 1.00 67.40 C +ATOM 236 O GLY A 34 22.260 6.402 14.554 1.00 65.93 O +ATOM 237 N GLU A 35 23.897 5.213 13.541 1.00 60.38 N +ATOM 238 CA GLU A 35 23.273 3.901 13.671 1.00 66.99 C +ATOM 239 C GLU A 35 23.009 3.551 15.144 1.00 65.41 C +ATOM 240 O GLU A 35 23.813 3.818 16.044 1.00 64.07 O +ATOM 241 CB GLU A 35 24.126 2.819 13.001 1.00 64.29 C +ATOM 242 CG GLU A 35 24.238 3.021 11.470 1.00 58.62 C +ATOM 243 CD GLU A 35 24.985 1.871 10.775 1.00 55.52 C +ATOM 244 OE1 GLU A 35 24.802 1.740 9.546 1.00 52.43 O +ATOM 245 OE2 GLU A 35 25.733 1.146 11.466 1.00 51.49 O +ATOM 246 N GLN A 36 21.840 2.959 15.399 1.00 63.69 N +ATOM 247 CA GLN A 36 21.483 2.450 16.720 1.00 67.49 C +ATOM 248 C GLN A 36 22.386 1.249 17.052 1.00 64.98 C +ATOM 249 O GLN A 36 22.543 0.348 16.238 1.00 61.34 O +ATOM 250 CB GLN A 36 19.991 2.105 16.726 1.00 67.32 C +ATOM 251 CG GLN A 36 19.488 1.606 18.087 1.00 66.01 C +ATOM 252 CD GLN A 36 17.981 1.410 18.134 1.00 63.57 C +ATOM 253 OE1 GLN A 36 17.215 1.822 17.282 1.00 64.17 O +ATOM 254 NE2 GLN A 36 17.475 0.780 19.171 1.00 61.13 N +ATOM 255 N GLY A 37 22.950 1.247 18.252 1.00 61.77 N +ATOM 256 CA GLY A 37 23.814 0.144 18.693 1.00 63.46 C +ATOM 257 C GLY A 37 23.104 -1.223 18.643 1.00 63.33 C +ATOM 258 O GLY A 37 21.885 -1.283 18.811 1.00 62.39 O +ATOM 259 N PRO A 38 23.843 -2.323 18.429 1.00 62.57 N +ATOM 260 CA PRO A 38 23.266 -3.655 18.267 1.00 66.14 C +ATOM 261 C PRO A 38 22.495 -4.090 19.521 1.00 64.40 C +ATOM 262 O PRO A 38 22.938 -3.892 20.653 1.00 62.77 O +ATOM 263 CB PRO A 38 24.441 -4.586 17.945 1.00 65.08 C +ATOM 264 CG PRO A 38 25.642 -3.867 18.551 1.00 62.18 C +ATOM 265 CD PRO A 38 25.292 -2.387 18.360 1.00 63.95 C +ATOM 266 N THR A 39 21.337 -4.730 19.299 1.00 65.15 N +ATOM 267 CA THR A 39 20.556 -5.375 20.359 1.00 68.52 C +ATOM 268 C THR A 39 21.367 -6.529 20.964 1.00 65.86 C +ATOM 269 O THR A 39 21.975 -7.306 20.232 1.00 62.29 O +ATOM 270 CB THR A 39 19.220 -5.887 19.807 1.00 67.69 C +ATOM 271 OG1 THR A 39 18.518 -4.825 19.194 1.00 64.96 O +ATOM 272 CG2 THR A 39 18.291 -6.450 20.878 1.00 64.44 C +ATOM 273 N GLY A 40 21.380 -6.622 22.292 1.00 59.66 N +ATOM 274 CA GLY A 40 22.084 -7.702 22.986 1.00 62.24 C +ATOM 275 C GLY A 40 21.575 -9.098 22.573 1.00 62.52 C +ATOM 276 O GLY A 40 20.408 -9.240 22.205 1.00 61.41 O +ATOM 277 N PRO A 41 22.420 -10.143 22.652 1.00 63.37 N +ATOM 278 CA PRO A 41 22.057 -11.494 22.226 1.00 67.23 C +ATOM 279 C PRO A 41 20.875 -12.042 23.028 1.00 65.86 C +ATOM 280 O PRO A 41 20.781 -11.856 24.248 1.00 64.01 O +ATOM 281 CB PRO A 41 23.326 -12.338 22.397 1.00 65.89 C +ATOM 282 CG PRO A 41 24.103 -11.596 23.478 1.00 63.77 C +ATOM 283 CD PRO A 41 23.763 -10.125 23.209 1.00 65.29 C +ATOM 284 N ALA A 42 19.960 -12.751 22.335 1.00 64.95 N +ATOM 285 CA ALA A 42 18.862 -13.465 22.976 1.00 69.22 C +ATOM 286 C ALA A 42 19.405 -14.579 23.888 1.00 68.09 C +ATOM 287 O ALA A 42 20.364 -15.268 23.549 1.00 64.44 O +ATOM 288 CB ALA A 42 17.918 -14.014 21.902 1.00 67.12 C +ATOM 289 N GLY A 43 18.765 -14.760 25.062 1.00 60.25 N +ATOM 290 CA GLY A 43 19.122 -15.841 25.982 1.00 63.97 C +ATOM 291 C GLY A 43 18.940 -17.234 25.349 1.00 64.84 C +ATOM 292 O GLY A 43 18.128 -17.393 24.433 1.00 63.60 O +ATOM 293 N PRO A 44 19.646 -18.258 25.825 1.00 62.19 N +ATOM 294 CA PRO A 44 19.585 -19.600 25.262 1.00 66.68 C +ATOM 295 C PRO A 44 18.158 -20.167 25.328 1.00 65.57 C +ATOM 296 O PRO A 44 17.446 -20.039 26.322 1.00 63.42 O +ATOM 297 CB PRO A 44 20.584 -20.442 26.068 1.00 64.75 C +ATOM 298 CG PRO A 44 20.692 -19.706 27.397 1.00 62.06 C +ATOM 299 CD PRO A 44 20.514 -18.235 27.000 1.00 63.00 C +ATOM 300 N ARG A 45 17.720 -20.824 24.214 1.00 61.55 N +ATOM 301 CA ARG A 45 16.425 -21.482 24.107 1.00 67.09 C +ATOM 302 C ARG A 45 16.379 -22.692 25.042 1.00 64.78 C +ATOM 303 O ARG A 45 17.279 -23.525 25.012 1.00 61.40 O +ATOM 304 CB ARG A 45 16.188 -21.864 22.643 1.00 65.40 C +ATOM 305 CG ARG A 45 14.769 -22.367 22.358 1.00 61.77 C +ATOM 306 CD ARG A 45 14.609 -22.641 20.866 1.00 61.83 C +ATOM 307 NE ARG A 45 13.239 -23.012 20.514 1.00 58.65 N +ATOM 308 CZ ARG A 45 12.772 -23.179 19.295 1.00 52.31 C +ATOM 309 NH1 ARG A 45 13.535 -23.070 18.239 1.00 52.74 N +ATOM 310 NH2 ARG A 45 11.517 -23.470 19.094 1.00 50.01 N +ATOM 311 N GLY A 46 15.312 -22.793 25.862 1.00 60.67 N +ATOM 312 CA GLY A 46 15.081 -23.976 26.704 1.00 63.58 C +ATOM 313 C GLY A 46 15.024 -25.261 25.873 1.00 64.71 C +ATOM 314 O GLY A 46 14.557 -25.244 24.733 1.00 62.23 O +ATOM 315 N LEU A 47 15.488 -26.369 26.445 1.00 59.53 N +ATOM 316 CA LEU A 47 15.500 -27.673 25.785 1.00 65.45 C +ATOM 317 C LEU A 47 14.068 -28.092 25.382 1.00 63.84 C +ATOM 318 O LEU A 47 13.138 -27.892 26.161 1.00 62.29 O +ATOM 319 CB LEU A 47 16.145 -28.735 26.700 1.00 63.26 C +ATOM 320 CG LEU A 47 17.644 -28.524 26.991 1.00 59.58 C +ATOM 321 CD1 LEU A 47 18.121 -29.528 28.031 1.00 57.54 C +ATOM 322 CD2 LEU A 47 18.502 -28.664 25.739 1.00 55.68 C +ATOM 323 N PRO A 48 13.866 -28.668 24.178 1.00 65.43 N +ATOM 324 CA PRO A 48 12.580 -29.221 23.777 1.00 68.94 C +ATOM 325 C PRO A 48 12.144 -30.327 24.743 1.00 66.95 C +ATOM 326 O PRO A 48 12.938 -31.195 25.084 1.00 65.17 O +ATOM 327 CB PRO A 48 12.762 -29.768 22.358 1.00 67.64 C +ATOM 328 CG PRO A 48 13.999 -29.043 21.831 1.00 63.06 C +ATOM 329 CD PRO A 48 14.834 -28.807 23.090 1.00 66.07 C +ATOM 330 N GLY A 49 10.858 -30.305 25.153 1.00 63.79 N +ATOM 331 CA GLY A 49 10.264 -31.431 25.877 1.00 66.97 C +ATOM 332 C GLY A 49 10.239 -32.701 25.017 1.00 68.54 C +ATOM 333 O GLY A 49 10.166 -32.620 23.796 1.00 66.05 O +ATOM 334 N GLU A 50 10.283 -33.871 25.670 1.00 54.34 N +ATOM 335 CA GLU A 50 10.259 -35.160 24.987 1.00 60.92 C +ATOM 336 C GLU A 50 9.005 -35.304 24.112 1.00 59.52 C +ATOM 337 O GLU A 50 7.888 -34.927 24.487 1.00 58.72 O +ATOM 338 CB GLU A 50 10.359 -36.325 25.989 1.00 59.68 C +ATOM 339 CG GLU A 50 11.733 -36.343 26.706 1.00 56.18 C +ATOM 340 CD GLU A 50 11.921 -37.580 27.601 1.00 52.34 C +ATOM 341 OE1 GLU A 50 13.099 -37.889 27.873 1.00 50.56 O +ATOM 342 OE2 GLU A 50 10.906 -38.172 28.016 1.00 49.77 O +ATOM 343 N ARG A 51 9.196 -35.808 22.876 1.00 63.58 N +ATOM 344 CA ARG A 51 8.119 -36.008 21.899 1.00 67.87 C +ATOM 345 C ARG A 51 7.229 -37.159 22.369 1.00 64.77 C +ATOM 346 O ARG A 51 7.688 -38.286 22.439 1.00 61.43 O +ATOM 347 CB ARG A 51 8.745 -36.278 20.527 1.00 65.41 C +ATOM 348 CG ARG A 51 7.710 -36.402 19.407 1.00 61.17 C +ATOM 349 CD ARG A 51 8.420 -36.617 18.073 1.00 60.40 C +ATOM 350 NE ARG A 51 7.483 -36.680 16.942 1.00 58.35 N +ATOM 351 CZ ARG A 51 7.803 -36.779 15.666 1.00 53.32 C +ATOM 352 NH1 ARG A 51 9.047 -36.856 15.274 1.00 53.86 N +ATOM 353 NH2 ARG A 51 6.871 -36.806 14.760 1.00 52.22 N +ATOM 354 N GLY A 52 5.943 -36.862 22.631 1.00 62.67 N +ATOM 355 CA GLY A 52 4.948 -37.896 22.920 1.00 64.18 C +ATOM 356 C GLY A 52 4.814 -38.901 21.772 1.00 65.22 C +ATOM 357 O GLY A 52 4.968 -38.541 20.601 1.00 62.58 O +ATOM 358 N GLU A 53 4.514 -40.164 22.105 1.00 52.89 N +ATOM 359 CA GLU A 53 4.360 -41.247 21.140 1.00 57.96 C +ATOM 360 C GLU A 53 3.270 -40.924 20.105 1.00 55.51 C +ATOM 361 O GLU A 53 2.203 -40.384 20.405 1.00 54.86 O +ATOM 362 CB GLU A 53 4.060 -42.580 21.845 1.00 57.67 C +ATOM 363 CG GLU A 53 5.249 -43.075 22.707 1.00 54.64 C +ATOM 364 CD GLU A 53 5.022 -44.485 23.274 1.00 51.87 C +ATOM 365 OE1 GLU A 53 6.039 -45.129 23.620 1.00 50.31 O +ATOM 366 OE2 GLU A 53 3.852 -44.911 23.354 1.00 49.64 O +ATOM 367 N GLN A 54 3.552 -41.241 18.836 1.00 61.55 N +ATOM 368 CA GLN A 54 2.641 -40.999 17.725 1.00 64.75 C +ATOM 369 C GLN A 54 1.453 -41.967 17.805 1.00 62.38 C +ATOM 370 O GLN A 54 1.616 -43.171 17.672 1.00 59.24 O +ATOM 371 CB GLN A 54 3.433 -41.119 16.414 1.00 63.56 C +ATOM 372 CG GLN A 54 2.598 -40.810 15.165 1.00 59.61 C +ATOM 373 CD GLN A 54 3.412 -40.817 13.875 1.00 56.42 C +ATOM 374 OE1 GLN A 54 4.627 -40.892 13.842 1.00 56.94 O +ATOM 375 NE2 GLN A 54 2.761 -40.712 12.740 1.00 53.06 N +ATOM 376 N GLY A 55 0.235 -41.421 17.977 1.00 57.79 N +ATOM 377 CA GLY A 55 -0.991 -42.212 17.910 1.00 59.38 C +ATOM 378 C GLY A 55 -1.208 -42.831 16.516 1.00 58.84 C +ATOM 379 O GLY A 55 -0.749 -42.275 15.520 1.00 56.63 O +ATOM 380 N PRO A 56 -1.948 -43.979 16.423 1.00 51.65 N +ATOM 381 CA PRO A 56 -2.176 -44.657 15.155 1.00 55.50 C +ATOM 382 C PRO A 56 -2.939 -43.765 14.163 1.00 53.03 C +ATOM 383 O PRO A 56 -3.896 -43.075 14.523 1.00 52.57 O +ATOM 384 CB PRO A 56 -2.937 -45.939 15.495 1.00 56.36 C +ATOM 385 CG PRO A 56 -3.635 -45.604 16.817 1.00 55.01 C +ATOM 386 CD PRO A 56 -2.638 -44.661 17.502 1.00 56.07 C +ATOM 387 N THR A 57 -2.526 -43.808 12.890 1.00 55.65 N +ATOM 388 CA THR A 57 -3.147 -43.065 11.791 1.00 58.33 C +ATOM 389 C THR A 57 -4.599 -43.519 11.594 1.00 55.37 C +ATOM 390 O THR A 57 -4.854 -44.668 11.244 1.00 54.07 O +ATOM 391 CB THR A 57 -2.354 -43.256 10.495 1.00 58.50 C +ATOM 392 OG1 THR A 57 -0.994 -42.952 10.716 1.00 55.11 O +ATOM 393 CG2 THR A 57 -2.836 -42.367 9.354 1.00 55.49 C +ATOM 394 N GLY A 58 -5.563 -42.613 11.769 1.00 50.69 N +ATOM 395 CA GLY A 58 -6.962 -42.855 11.426 1.00 52.79 C +ATOM 396 C GLY A 58 -7.158 -42.983 9.910 1.00 52.79 C +ATOM 397 O GLY A 58 -6.538 -42.267 9.134 1.00 50.64 O +ATOM 398 N LEU A 59 -8.048 -43.924 9.493 1.00 47.07 N +ATOM 399 CA LEU A 59 -8.405 -44.114 8.089 1.00 52.29 C +ATOM 400 C LEU A 59 -9.052 -42.835 7.514 1.00 49.82 C +ATOM 401 O LEU A 59 -9.910 -42.231 8.153 1.00 49.86 O +ATOM 402 CB LEU A 59 -9.342 -45.322 7.944 1.00 52.72 C +ATOM 403 CG LEU A 59 -8.693 -46.682 8.267 1.00 50.62 C +ATOM 404 CD1 LEU A 59 -9.762 -47.776 8.306 1.00 49.25 C +ATOM 405 CD2 LEU A 59 -7.647 -47.079 7.228 1.00 47.98 C +ATOM 406 N ALA A 60 -8.672 -42.458 6.275 1.00 55.11 N +ATOM 407 CA ALA A 60 -9.224 -41.309 5.581 1.00 58.85 C +ATOM 408 C ALA A 60 -10.736 -41.478 5.336 1.00 56.88 C +ATOM 409 O ALA A 60 -11.171 -42.429 4.691 1.00 55.40 O +ATOM 410 CB ALA A 60 -8.457 -41.110 4.267 1.00 57.61 C +ATOM 411 N GLY A 61 -11.543 -40.536 5.825 1.00 50.46 N +ATOM 412 CA GLY A 61 -12.965 -40.441 5.491 1.00 52.88 C +ATOM 413 C GLY A 61 -13.160 -40.070 4.019 1.00 52.54 C +ATOM 414 O GLY A 61 -12.418 -39.261 3.476 1.00 50.92 O +ATOM 415 N LYS A 62 -14.179 -40.680 3.363 1.00 52.41 N +ATOM 416 CA LYS A 62 -14.554 -40.333 1.987 1.00 58.57 C +ATOM 417 C LYS A 62 -15.018 -38.873 1.930 1.00 54.91 C +ATOM 418 O LYS A 62 -15.774 -38.434 2.796 1.00 55.57 O +ATOM 419 CB LYS A 62 -15.650 -41.273 1.466 1.00 57.83 C +ATOM 420 CG LYS A 62 -15.163 -42.721 1.294 1.00 54.35 C +ATOM 421 CD LYS A 62 -16.286 -43.609 0.743 1.00 52.44 C +ATOM 422 CE LYS A 62 -15.802 -45.043 0.572 1.00 50.03 C +ATOM 423 NZ LYS A 62 -16.881 -45.921 0.053 1.00 44.78 N +ATOM 424 N ALA A 63 -14.595 -38.140 0.891 1.00 55.43 N +ATOM 425 CA ALA A 63 -15.064 -36.786 0.633 1.00 59.72 C +ATOM 426 C ALA A 63 -16.584 -36.780 0.411 1.00 57.51 C +ATOM 427 O ALA A 63 -17.100 -37.568 -0.376 1.00 55.30 O +ATOM 428 CB ALA A 63 -14.310 -36.228 -0.583 1.00 58.76 C +ATOM 429 N GLY A 64 -17.298 -35.894 1.105 1.00 52.99 N +ATOM 430 CA GLY A 64 -18.725 -35.669 0.878 1.00 55.34 C +ATOM 431 C GLY A 64 -18.964 -34.989 -0.476 1.00 55.46 C +ATOM 432 O GLY A 64 -18.191 -34.123 -0.879 1.00 53.60 O +ATOM 433 N GLU A 65 -20.035 -35.404 -1.175 1.00 45.86 N +ATOM 434 CA GLU A 65 -20.448 -34.786 -2.433 1.00 51.20 C +ATOM 435 C GLU A 65 -20.858 -33.322 -2.211 1.00 48.04 C +ATOM 436 O GLU A 65 -21.484 -32.964 -1.214 1.00 48.73 O +ATOM 437 CB GLU A 65 -21.584 -35.586 -3.087 1.00 53.05 C +ATOM 438 CG GLU A 65 -21.110 -36.963 -3.587 1.00 49.00 C +ATOM 439 CD GLU A 65 -22.215 -37.775 -4.289 1.00 45.66 C +ATOM 440 OE1 GLU A 65 -21.841 -38.645 -5.108 1.00 44.36 O +ATOM 441 OE2 GLU A 65 -23.403 -37.557 -3.982 1.00 45.56 O +ATOM 442 N ALA A 66 -20.484 -32.453 -3.168 1.00 56.78 N +ATOM 443 CA ALA A 66 -20.869 -31.046 -3.143 1.00 60.51 C +ATOM 444 C ALA A 66 -22.392 -30.900 -3.267 1.00 58.05 C +ATOM 445 O ALA A 66 -22.995 -31.419 -4.200 1.00 56.00 O +ATOM 446 CB ALA A 66 -20.124 -30.308 -4.269 1.00 59.75 C +ATOM 447 N GLY A 67 -23.002 -30.144 -2.363 1.00 54.47 N +ATOM 448 CA GLY A 67 -24.429 -29.847 -2.411 1.00 57.04 C +ATOM 449 C GLY A 67 -24.808 -29.090 -3.692 1.00 58.09 C +ATOM 450 O GLY A 67 -24.094 -28.179 -4.117 1.00 55.97 O +ATOM 451 N ALA A 68 -25.936 -29.454 -4.297 1.00 52.79 N +ATOM 452 CA ALA A 68 -26.459 -28.801 -5.489 1.00 58.73 C +ATOM 453 C ALA A 68 -26.765 -27.312 -5.224 1.00 57.29 C +ATOM 454 O ALA A 68 -27.296 -26.939 -4.175 1.00 56.24 O +ATOM 455 CB ALA A 68 -27.694 -29.561 -5.978 1.00 57.54 C +ATOM 456 N LYS A 69 -26.425 -26.453 -6.210 1.00 55.71 N +ATOM 457 CA LYS A 69 -26.735 -25.026 -6.177 1.00 61.91 C +ATOM 458 C LYS A 69 -28.254 -24.833 -6.183 1.00 58.93 C +ATOM 459 O LYS A 69 -28.927 -25.337 -7.073 1.00 58.27 O +ATOM 460 CB LYS A 69 -26.070 -24.356 -7.395 1.00 61.02 C +ATOM 461 CG LYS A 69 -26.224 -22.828 -7.439 1.00 58.15 C +ATOM 462 CD LYS A 69 -25.462 -22.258 -8.644 1.00 58.03 C +ATOM 463 CE LYS A 69 -25.597 -20.735 -8.693 1.00 55.79 C +ATOM 464 NZ LYS A 69 -24.865 -20.172 -9.848 1.00 50.40 N +ATOM 465 N GLY A 70 -28.775 -24.085 -5.202 1.00 53.28 N +ATOM 466 CA GLY A 70 -30.206 -23.779 -5.133 1.00 55.43 C +ATOM 467 C GLY A 70 -30.686 -23.021 -6.375 1.00 57.08 C +ATOM 468 O GLY A 70 -29.991 -22.139 -6.876 1.00 54.52 O +ATOM 469 N GLU A 71 -31.868 -23.375 -6.877 1.00 45.47 N +ATOM 470 CA GLU A 71 -32.488 -22.726 -8.031 1.00 51.74 C +ATOM 471 C GLU A 71 -32.853 -21.275 -7.704 1.00 49.39 C +ATOM 472 O GLU A 71 -33.303 -20.931 -6.606 1.00 48.70 O +ATOM 473 CB GLU A 71 -33.718 -23.506 -8.503 1.00 52.57 C +ATOM 474 CG GLU A 71 -33.342 -24.897 -9.059 1.00 49.75 C +ATOM 475 CD GLU A 71 -34.538 -25.646 -9.668 1.00 46.11 C +ATOM 476 OE1 GLU A 71 -34.279 -26.563 -10.475 1.00 45.32 O +ATOM 477 OE2 GLU A 71 -35.687 -25.299 -9.334 1.00 45.19 O +ATOM 478 N THR A 72 -32.643 -20.389 -8.696 1.00 56.97 N +ATOM 479 CA THR A 72 -33.038 -18.979 -8.603 1.00 59.74 C +ATOM 480 C THR A 72 -34.570 -18.892 -8.598 1.00 56.93 C +ATOM 481 O THR A 72 -35.208 -19.404 -9.504 1.00 55.28 O +ATOM 482 CB THR A 72 -32.466 -18.179 -9.781 1.00 60.11 C +ATOM 483 OG1 THR A 72 -31.058 -18.347 -9.833 1.00 57.79 O +ATOM 484 CG2 THR A 72 -32.728 -16.679 -9.677 1.00 57.45 C +ATOM 485 N GLY A 73 -35.131 -18.213 -7.602 1.00 53.65 N +ATOM 486 CA GLY A 73 -36.587 -18.027 -7.518 1.00 55.00 C +ATOM 487 C GLY A 73 -37.161 -17.293 -8.735 1.00 55.32 C +ATOM 488 O GLY A 73 -36.472 -16.447 -9.319 1.00 53.86 O +ATOM 489 N PRO A 74 -38.417 -17.566 -9.133 1.00 52.69 N +ATOM 490 CA PRO A 74 -39.047 -16.939 -10.283 1.00 56.61 C +ATOM 491 C PRO A 74 -39.214 -15.422 -10.087 1.00 54.18 C +ATOM 492 O PRO A 74 -39.471 -14.948 -8.976 1.00 54.37 O +ATOM 493 CB PRO A 74 -40.394 -17.647 -10.470 1.00 57.33 C +ATOM 494 CG PRO A 74 -40.726 -18.146 -9.066 1.00 55.52 C +ATOM 495 CD PRO A 74 -39.351 -18.479 -8.479 1.00 56.61 C +ATOM 496 N ALA A 75 -39.090 -14.658 -11.192 1.00 57.25 N +ATOM 497 CA ALA A 75 -39.349 -13.217 -11.188 1.00 61.34 C +ATOM 498 C ALA A 75 -40.804 -12.920 -10.773 1.00 60.27 C +ATOM 499 O ALA A 75 -41.734 -13.591 -11.216 1.00 57.73 O +ATOM 500 CB ALA A 75 -39.027 -12.642 -12.575 1.00 60.53 C +ATOM 501 N GLY A 76 -40.981 -11.892 -9.945 1.00 55.47 N +ATOM 502 CA GLY A 76 -42.312 -11.459 -9.519 1.00 57.77 C +ATOM 503 C GLY A 76 -43.174 -10.980 -10.701 1.00 59.22 C +ATOM 504 O GLY A 76 -42.635 -10.492 -11.693 1.00 57.99 O +ATOM 505 N PRO A 77 -44.510 -11.092 -10.612 1.00 59.08 N +ATOM 506 CA PRO A 77 -45.414 -10.677 -11.672 1.00 63.28 C +ATOM 507 C PRO A 77 -45.314 -9.156 -11.916 1.00 62.38 C +ATOM 508 O PRO A 77 -45.188 -8.364 -10.988 1.00 61.71 O +ATOM 509 CB PRO A 77 -46.815 -11.106 -11.226 1.00 62.27 C +ATOM 510 CG PRO A 77 -46.709 -11.146 -9.707 1.00 59.15 C +ATOM 511 CD PRO A 77 -45.265 -11.585 -9.470 1.00 59.67 C +ATOM 512 N GLN A 78 -45.415 -8.758 -13.200 1.00 57.40 N +ATOM 513 CA GLN A 78 -45.442 -7.353 -13.603 1.00 62.72 C +ATOM 514 C GLN A 78 -46.687 -6.650 -13.021 1.00 60.56 C +ATOM 515 O GLN A 78 -47.802 -7.144 -13.175 1.00 58.01 O +ATOM 516 CB GLN A 78 -45.399 -7.290 -15.142 1.00 62.48 C +ATOM 517 CG GLN A 78 -45.310 -5.857 -15.688 1.00 61.04 C +ATOM 518 CD GLN A 78 -45.169 -5.816 -17.206 1.00 58.47 C +ATOM 519 OE1 GLN A 78 -45.090 -6.806 -17.916 1.00 59.52 O +ATOM 520 NE2 GLN A 78 -45.117 -4.635 -17.798 1.00 55.34 N +ATOM 521 N GLY A 79 -46.486 -5.508 -12.381 1.00 60.27 N +ATOM 522 CA GLY A 79 -47.590 -4.701 -11.843 1.00 62.77 C +ATOM 523 C GLY A 79 -48.536 -4.194 -12.941 1.00 65.14 C +ATOM 524 O GLY A 79 -48.111 -4.014 -14.085 1.00 63.98 O +ATOM 525 N PRO A 80 -49.822 -3.930 -12.627 1.00 64.99 N +ATOM 526 CA PRO A 80 -50.791 -3.427 -13.592 1.00 68.27 C +ATOM 527 C PRO A 80 -50.368 -2.048 -14.122 1.00 68.25 C +ATOM 528 O PRO A 80 -49.814 -1.217 -13.395 1.00 67.16 O +ATOM 529 CB PRO A 80 -52.140 -3.397 -12.864 1.00 66.19 C +ATOM 530 CG PRO A 80 -51.742 -3.247 -11.402 1.00 62.54 C +ATOM 531 CD PRO A 80 -50.430 -4.028 -11.302 1.00 63.77 C +ATOM 532 N ARG A 81 -50.624 -1.795 -15.415 1.00 62.59 N +ATOM 533 CA ARG A 81 -50.340 -0.513 -16.072 1.00 68.46 C +ATOM 534 C ARG A 81 -51.199 0.587 -15.452 1.00 66.27 C +ATOM 535 O ARG A 81 -52.422 0.482 -15.481 1.00 63.12 O +ATOM 536 CB ARG A 81 -50.603 -0.672 -17.575 1.00 66.77 C +ATOM 537 CG ARG A 81 -50.268 0.593 -18.387 1.00 64.28 C +ATOM 538 CD ARG A 81 -50.503 0.316 -19.871 1.00 63.96 C +ATOM 539 NE ARG A 81 -50.142 1.467 -20.715 1.00 62.20 N +ATOM 540 CZ ARG A 81 -50.126 1.490 -22.036 1.00 57.21 C +ATOM 541 NH1 ARG A 81 -50.468 0.443 -22.740 1.00 56.80 N +ATOM 542 NH2 ARG A 81 -49.762 2.564 -22.666 1.00 55.89 N +ATOM 543 N GLY A 82 -50.564 1.658 -14.943 1.00 64.88 N +ATOM 544 CA GLY A 82 -51.272 2.837 -14.445 1.00 66.16 C +ATOM 545 C GLY A 82 -52.026 3.571 -15.558 1.00 68.74 C +ATOM 546 O GLY A 82 -51.601 3.567 -16.719 1.00 67.02 O +ATOM 547 N GLU A 83 -53.158 4.191 -15.211 1.00 58.17 N +ATOM 548 CA GLU A 83 -53.980 4.956 -16.151 1.00 63.87 C +ATOM 549 C GLU A 83 -53.295 6.272 -16.559 1.00 61.91 C +ATOM 550 O GLU A 83 -52.493 6.855 -15.827 1.00 60.76 O +ATOM 551 CB GLU A 83 -55.395 5.164 -15.602 1.00 62.05 C +ATOM 552 CG GLU A 83 -56.153 3.822 -15.481 1.00 58.22 C +ATOM 553 CD GLU A 83 -57.660 3.981 -15.249 1.00 55.19 C +ATOM 554 OE1 GLU A 83 -58.256 3.075 -14.635 1.00 52.76 O +ATOM 555 OE2 GLU A 83 -58.237 4.977 -15.736 1.00 51.76 O +ATOM 556 N GLN A 84 -53.540 6.730 -17.780 1.00 63.66 N +ATOM 557 CA GLN A 84 -52.849 7.862 -18.391 1.00 66.35 C +ATOM 558 C GLN A 84 -53.307 9.190 -17.772 1.00 63.36 C +ATOM 559 O GLN A 84 -54.441 9.604 -17.979 1.00 60.10 O +ATOM 560 CB GLN A 84 -53.074 7.799 -19.914 1.00 66.26 C +ATOM 561 CG GLN A 84 -52.372 8.933 -20.684 1.00 65.03 C +ATOM 562 CD GLN A 84 -52.505 8.800 -22.201 1.00 62.76 C +ATOM 563 OE1 GLN A 84 -52.951 7.820 -22.765 1.00 63.84 O +ATOM 564 NE2 GLN A 84 -52.069 9.788 -22.947 1.00 60.56 N +ATOM 565 N GLY A 85 -52.417 9.905 -17.075 1.00 64.86 N +ATOM 566 CA GLY A 85 -52.706 11.224 -16.508 1.00 65.59 C +ATOM 567 C GLY A 85 -52.894 12.339 -17.555 1.00 67.21 C +ATOM 568 O GLY A 85 -52.428 12.189 -18.689 1.00 65.54 O +ATOM 569 N PRO A 86 -53.553 13.478 -17.193 1.00 64.67 N +ATOM 570 CA PRO A 86 -53.786 14.600 -18.094 1.00 66.96 C +ATOM 571 C PRO A 86 -52.474 15.261 -18.538 1.00 66.16 C +ATOM 572 O PRO A 86 -51.503 15.330 -17.786 1.00 64.16 O +ATOM 573 CB PRO A 86 -54.699 15.562 -17.332 1.00 65.21 C +ATOM 574 CG PRO A 86 -54.380 15.272 -15.864 1.00 62.25 C +ATOM 575 CD PRO A 86 -54.090 13.768 -15.870 1.00 64.60 C +ATOM 576 N GLN A 87 -52.427 15.775 -19.776 1.00 58.62 N +ATOM 577 CA GLN A 87 -51.249 16.421 -20.362 1.00 61.94 C +ATOM 578 C GLN A 87 -50.963 17.768 -19.687 1.00 59.19 C +ATOM 579 O GLN A 87 -51.812 18.653 -19.659 1.00 56.81 O +ATOM 580 CB GLN A 87 -51.475 16.546 -21.876 1.00 62.19 C +ATOM 581 CG GLN A 87 -50.267 17.102 -22.639 1.00 60.15 C +ATOM 582 CD GLN A 87 -50.434 16.990 -24.155 1.00 58.27 C +ATOM 583 OE1 GLN A 87 -51.392 16.460 -24.682 1.00 58.61 O +ATOM 584 NE2 GLN A 87 -49.478 17.456 -24.926 1.00 54.50 N +ATOM 585 N GLY A 88 -49.742 17.943 -19.164 1.00 59.11 N +ATOM 586 CA GLY A 88 -49.282 19.186 -18.546 1.00 59.94 C +ATOM 587 C GLY A 88 -48.943 20.278 -19.570 1.00 60.83 C +ATOM 588 O GLY A 88 -48.627 19.986 -20.716 1.00 58.43 O +ATOM 589 N LEU A 89 -49.002 21.552 -19.119 1.00 56.44 N +ATOM 590 CA LEU A 89 -48.579 22.730 -19.875 1.00 60.15 C +ATOM 591 C LEU A 89 -47.066 22.678 -20.187 1.00 58.93 C +ATOM 592 O LEU A 89 -46.319 22.055 -19.431 1.00 57.86 O +ATOM 593 CB LEU A 89 -48.932 24.002 -19.093 1.00 58.88 C +ATOM 594 CG LEU A 89 -50.442 24.264 -18.906 1.00 55.92 C +ATOM 595 CD1 LEU A 89 -50.659 25.435 -17.961 1.00 54.49 C +ATOM 596 CD2 LEU A 89 -51.134 24.564 -20.228 1.00 52.84 C +ATOM 597 N PRO A 90 -46.558 23.362 -21.260 1.00 61.02 N +ATOM 598 CA PRO A 90 -45.135 23.402 -21.614 1.00 63.10 C +ATOM 599 C PRO A 90 -44.258 23.845 -20.426 1.00 61.09 C +ATOM 600 O PRO A 90 -44.523 24.874 -19.803 1.00 59.59 O +ATOM 601 CB PRO A 90 -45.015 24.370 -22.803 1.00 63.09 C +ATOM 602 CG PRO A 90 -46.405 24.330 -23.440 1.00 59.44 C +ATOM 603 CD PRO A 90 -47.337 24.120 -22.251 1.00 61.62 C +ATOM 604 N GLY A 91 -43.229 23.072 -20.126 1.00 55.64 N +ATOM 605 CA GLY A 91 -42.240 23.397 -19.097 1.00 56.61 C +ATOM 606 C GLY A 91 -41.239 24.446 -19.580 1.00 57.56 C +ATOM 607 O GLY A 91 -40.963 24.539 -20.769 1.00 55.19 O +ATOM 608 N LYS A 92 -40.707 25.242 -18.621 1.00 55.96 N +ATOM 609 CA LYS A 92 -39.601 26.183 -18.862 1.00 60.72 C +ATOM 610 C LYS A 92 -38.320 25.425 -19.211 1.00 59.98 C +ATOM 611 O LYS A 92 -38.155 24.290 -18.766 1.00 59.15 O +ATOM 612 CB LYS A 92 -39.383 27.061 -17.623 1.00 58.11 C +ATOM 613 CG LYS A 92 -40.594 27.947 -17.275 1.00 54.14 C +ATOM 614 CD LYS A 92 -40.303 28.777 -16.028 1.00 52.48 C +ATOM 615 CE LYS A 92 -41.508 29.646 -15.672 1.00 49.73 C +ATOM 616 NZ LYS A 92 -41.267 30.434 -14.433 1.00 44.93 N +ATOM 617 N ASP A 93 -37.398 26.080 -19.957 1.00 55.80 N +ATOM 618 CA ASP A 93 -36.106 25.530 -20.342 1.00 59.16 C +ATOM 619 C ASP A 93 -35.368 24.910 -19.141 1.00 58.04 C +ATOM 620 O ASP A 93 -35.302 25.502 -18.057 1.00 55.62 O +ATOM 621 CB ASP A 93 -35.246 26.609 -21.017 1.00 56.98 C +ATOM 622 CG ASP A 93 -35.862 27.154 -22.306 1.00 54.46 C +ATOM 623 OD1 ASP A 93 -36.590 26.385 -22.973 1.00 52.23 O +ATOM 624 OD2 ASP A 93 -35.657 28.354 -22.579 1.00 50.47 O +ATOM 625 N GLY A 94 -34.830 23.700 -19.333 1.00 52.26 N +ATOM 626 CA GLY A 94 -34.140 22.964 -18.289 1.00 53.46 C +ATOM 627 C GLY A 94 -32.732 23.504 -18.028 1.00 54.14 C +ATOM 628 O GLY A 94 -32.000 23.809 -18.960 1.00 51.81 O +ATOM 629 N GLU A 95 -32.365 23.585 -16.755 1.00 47.37 N +ATOM 630 CA GLU A 95 -30.987 23.874 -16.337 1.00 50.71 C +ATOM 631 C GLU A 95 -30.022 22.769 -16.805 1.00 48.74 C +ATOM 632 O GLU A 95 -30.392 21.601 -16.933 1.00 48.67 O +ATOM 633 CB GLU A 95 -30.915 24.059 -14.811 1.00 50.93 C +ATOM 634 CG GLU A 95 -31.640 25.334 -14.339 1.00 47.88 C +ATOM 635 CD GLU A 95 -31.537 25.576 -12.821 1.00 45.63 C +ATOM 636 OE1 GLU A 95 -31.748 26.741 -12.411 1.00 44.77 O +ATOM 637 OE2 GLU A 95 -31.296 24.599 -12.074 1.00 43.98 O +ATOM 638 N ALA A 96 -28.745 23.152 -17.064 1.00 56.85 N +ATOM 639 CA ALA A 96 -27.704 22.226 -17.505 1.00 58.52 C +ATOM 640 C ALA A 96 -27.543 21.051 -16.526 1.00 57.36 C +ATOM 641 O ALA A 96 -27.400 21.238 -15.323 1.00 55.10 O +ATOM 642 CB ALA A 96 -26.396 23.013 -17.679 1.00 56.71 C +ATOM 643 N GLY A 97 -27.552 19.825 -17.073 1.00 51.19 N +ATOM 644 CA GLY A 97 -27.475 18.617 -16.270 1.00 52.23 C +ATOM 645 C GLY A 97 -26.136 18.482 -15.533 1.00 52.75 C +ATOM 646 O GLY A 97 -25.075 18.602 -16.129 1.00 50.83 O +ATOM 647 N ALA A 98 -26.208 18.200 -14.240 1.00 48.42 N +ATOM 648 CA ALA A 98 -25.043 17.880 -13.427 1.00 51.86 C +ATOM 649 C ALA A 98 -24.393 16.556 -13.869 1.00 51.23 C +ATOM 650 O ALA A 98 -25.063 15.605 -14.281 1.00 50.22 O +ATOM 651 CB ALA A 98 -25.462 17.844 -11.945 1.00 50.53 C +ATOM 652 N GLN A 99 -23.049 16.482 -13.748 1.00 50.52 N +ATOM 653 CA GLN A 99 -22.250 15.292 -14.034 1.00 53.94 C +ATOM 654 C GLN A 99 -22.732 14.091 -13.213 1.00 52.56 C +ATOM 655 O GLN A 99 -22.850 14.160 -11.990 1.00 51.23 O +ATOM 656 CB GLN A 99 -20.786 15.642 -13.738 1.00 53.46 C +ATOM 657 CG GLN A 99 -19.771 14.535 -14.063 1.00 50.96 C +ATOM 658 CD GLN A 99 -18.335 14.998 -13.825 1.00 48.62 C +ATOM 659 OE1 GLN A 99 -18.065 16.128 -13.469 1.00 49.99 O +ATOM 660 NE2 GLN A 99 -17.350 14.151 -14.018 1.00 46.43 N +ATOM 661 N GLY A 100 -23.031 12.978 -13.884 1.00 48.67 N +ATOM 662 CA GLY A 100 -23.527 11.775 -13.218 1.00 49.95 C +ATOM 663 C GLY A 100 -22.439 11.075 -12.393 1.00 50.23 C +ATOM 664 O GLY A 100 -21.354 10.839 -12.913 1.00 48.80 O +ATOM 665 N PRO A 101 -22.724 10.689 -11.139 1.00 46.58 N +ATOM 666 CA PRO A 101 -21.815 9.867 -10.351 1.00 49.01 C +ATOM 667 C PRO A 101 -21.690 8.457 -10.945 1.00 47.25 C +ATOM 668 O PRO A 101 -22.599 7.946 -11.607 1.00 47.55 O +ATOM 669 CB PRO A 101 -22.384 9.866 -8.935 1.00 49.91 C +ATOM 670 CG PRO A 101 -23.885 10.053 -9.155 1.00 50.01 C +ATOM 671 CD PRO A 101 -23.940 10.962 -10.387 1.00 51.35 C +ATOM 672 N ALA A 102 -20.557 7.791 -10.663 1.00 52.36 N +ATOM 673 CA ALA A 102 -20.373 6.376 -10.991 1.00 54.33 C +ATOM 674 C ALA A 102 -21.473 5.526 -10.326 1.00 53.46 C +ATOM 675 O ALA A 102 -21.717 5.637 -9.125 1.00 51.81 O +ATOM 676 CB ALA A 102 -18.967 5.937 -10.565 1.00 52.90 C +ATOM 677 N GLY A 103 -22.158 4.699 -11.122 1.00 45.77 N +ATOM 678 CA GLY A 103 -23.336 3.976 -10.647 1.00 47.69 C +ATOM 679 C GLY A 103 -23.007 2.914 -9.592 1.00 47.62 C +ATOM 680 O GLY A 103 -22.137 2.080 -9.835 1.00 46.37 O +ATOM 681 N PRO A 104 -23.726 2.896 -8.452 1.00 42.93 N +ATOM 682 CA PRO A 104 -23.674 1.783 -7.530 1.00 46.11 C +ATOM 683 C PRO A 104 -24.372 0.545 -8.116 1.00 44.48 C +ATOM 684 O PRO A 104 -25.256 0.634 -8.974 1.00 44.72 O +ATOM 685 CB PRO A 104 -24.332 2.284 -6.243 1.00 47.01 C +ATOM 686 CG PRO A 104 -25.346 3.304 -6.758 1.00 46.44 C +ATOM 687 CD PRO A 104 -24.651 3.909 -7.983 1.00 47.78 C +ATOM 688 N MET A 105 -23.988 -0.641 -7.623 1.00 49.79 N +ATOM 689 CA MET A 105 -24.658 -1.906 -7.912 1.00 54.62 C +ATOM 690 C MET A 105 -26.135 -1.832 -7.478 1.00 54.47 C +ATOM 691 O MET A 105 -26.428 -1.453 -6.352 1.00 52.65 O +ATOM 692 CB MET A 105 -23.895 -3.017 -7.185 1.00 53.51 C +ATOM 693 CG MET A 105 -24.420 -4.433 -7.420 1.00 48.39 C +ATOM 694 SD MET A 105 -23.313 -5.678 -6.676 1.00 45.14 S +ATOM 695 CE MET A 105 -24.298 -7.162 -6.945 1.00 42.48 C +ATOM 696 N GLY A 106 -27.052 -2.144 -8.384 1.00 46.37 N +ATOM 697 CA GLY A 106 -28.483 -1.937 -8.153 1.00 48.56 C +ATOM 698 C GLY A 106 -29.059 -2.829 -7.032 1.00 48.42 C +ATOM 699 O GLY A 106 -28.747 -4.015 -6.994 1.00 47.17 O +ATOM 700 N PRO A 107 -29.916 -2.284 -6.156 1.00 45.09 N +ATOM 701 CA PRO A 107 -30.663 -3.061 -5.179 1.00 48.74 C +ATOM 702 C PRO A 107 -31.776 -3.890 -5.845 1.00 46.87 C +ATOM 703 O PRO A 107 -32.233 -3.594 -6.955 1.00 47.08 O +ATOM 704 CB PRO A 107 -31.198 -2.054 -4.166 1.00 49.35 C +ATOM 705 CG PRO A 107 -31.387 -0.795 -5.009 1.00 48.79 C +ATOM 706 CD PRO A 107 -30.243 -0.870 -6.019 1.00 49.80 C +ATOM 707 N ALA A 108 -32.224 -4.941 -5.144 1.00 53.89 N +ATOM 708 CA ALA A 108 -33.371 -5.750 -5.562 1.00 57.63 C +ATOM 709 C ALA A 108 -34.656 -4.907 -5.600 1.00 57.39 C +ATOM 710 O ALA A 108 -34.892 -4.091 -4.714 1.00 55.44 O +ATOM 711 CB ALA A 108 -33.497 -6.953 -4.618 1.00 55.28 C +ATOM 712 N GLY A 109 -35.469 -5.094 -6.639 1.00 51.17 N +ATOM 713 CA GLY A 109 -36.643 -4.246 -6.879 1.00 53.12 C +ATOM 714 C GLY A 109 -37.768 -4.425 -5.844 1.00 54.18 C +ATOM 715 O GLY A 109 -38.117 -5.540 -5.489 1.00 52.06 O +ATOM 716 N GLU A 110 -38.345 -3.308 -5.419 1.00 44.81 N +ATOM 717 CA GLU A 110 -39.514 -3.268 -4.542 1.00 51.01 C +ATOM 718 C GLU A 110 -40.840 -3.435 -5.303 1.00 49.83 C +ATOM 719 O GLU A 110 -40.937 -3.274 -6.519 1.00 49.51 O +ATOM 720 CB GLU A 110 -39.514 -1.986 -3.685 1.00 50.81 C +ATOM 721 CG GLU A 110 -38.350 -1.962 -2.675 1.00 47.16 C +ATOM 722 CD GLU A 110 -38.456 -0.815 -1.662 1.00 43.72 C +ATOM 723 OE1 GLU A 110 -37.807 -0.953 -0.596 1.00 42.39 O +ATOM 724 OE2 GLU A 110 -39.169 0.165 -1.949 1.00 42.35 O +ATOM 725 N ARG A 111 -41.878 -3.812 -4.558 1.00 53.25 N +ATOM 726 CA ARG A 111 -43.224 -4.133 -5.051 1.00 57.67 C +ATOM 727 C ARG A 111 -43.971 -2.856 -5.466 1.00 54.97 C +ATOM 728 O ARG A 111 -44.105 -1.952 -4.661 1.00 53.49 O +ATOM 729 CB ARG A 111 -43.952 -4.885 -3.930 1.00 57.08 C +ATOM 730 CG ARG A 111 -45.357 -5.373 -4.281 1.00 52.81 C +ATOM 731 CD ARG A 111 -45.934 -6.117 -3.076 1.00 52.96 C +ATOM 732 NE ARG A 111 -47.251 -6.706 -3.341 1.00 51.45 N +ATOM 733 CZ ARG A 111 -47.965 -7.430 -2.510 1.00 47.39 C +ATOM 734 NH1 ARG A 111 -47.560 -7.689 -1.298 1.00 47.81 N +ATOM 735 NH2 ARG A 111 -49.122 -7.918 -2.872 1.00 46.53 N +ATOM 736 N GLY A 112 -44.496 -2.809 -6.697 1.00 57.76 N +ATOM 737 CA GLY A 112 -45.200 -1.625 -7.205 1.00 59.08 C +ATOM 738 C GLY A 112 -46.585 -1.371 -6.584 1.00 60.72 C +ATOM 739 O GLY A 112 -47.334 -2.314 -6.331 1.00 58.13 O +ATOM 740 N GLU A 113 -46.935 -0.090 -6.388 1.00 46.13 N +ATOM 741 CA GLU A 113 -48.242 0.382 -5.902 1.00 52.84 C +ATOM 742 C GLU A 113 -49.290 0.511 -7.027 1.00 50.65 C +ATOM 743 O GLU A 113 -48.976 0.538 -8.211 1.00 50.80 O +ATOM 744 CB GLU A 113 -48.087 1.698 -5.129 1.00 53.45 C +ATOM 745 CG GLU A 113 -47.271 1.529 -3.831 1.00 50.89 C +ATOM 746 CD GLU A 113 -47.282 2.778 -2.937 1.00 47.96 C +ATOM 747 OE1 GLU A 113 -47.034 2.598 -1.728 1.00 47.10 O +ATOM 748 OE2 GLU A 113 -47.556 3.877 -3.464 1.00 47.00 O +ATOM 749 N LYS A 114 -50.558 0.531 -6.631 1.00 60.73 N +ATOM 750 CA LYS A 114 -51.731 0.520 -7.519 1.00 65.17 C +ATOM 751 C LYS A 114 -52.029 1.930 -8.060 1.00 61.66 C +ATOM 752 O LYS A 114 -52.107 2.865 -7.281 1.00 60.41 O +ATOM 753 CB LYS A 114 -52.910 -0.046 -6.712 1.00 62.55 C +ATOM 754 CG LYS A 114 -54.218 -0.212 -7.500 1.00 58.00 C +ATOM 755 CD LYS A 114 -55.324 -0.768 -6.585 1.00 57.75 C +ATOM 756 CE LYS A 114 -56.635 -0.897 -7.354 1.00 55.81 C +ATOM 757 NZ LYS A 114 -57.748 -1.289 -6.470 1.00 51.04 N +ATOM 758 N GLY A 115 -52.221 2.088 -9.393 1.00 60.88 N +ATOM 759 CA GLY A 115 -52.490 3.388 -10.033 1.00 61.23 C +ATOM 760 C GLY A 115 -53.976 3.788 -10.132 1.00 62.28 C +ATOM 761 O GLY A 115 -54.838 2.906 -10.167 1.00 59.25 O +ATOM 762 N GLU A 116 -54.256 5.101 -10.204 1.00 46.24 N +ATOM 763 CA GLU A 116 -55.585 5.725 -10.330 1.00 53.18 C +ATOM 764 C GLU A 116 -55.923 6.170 -11.782 1.00 50.17 C +ATOM 765 O GLU A 116 -55.014 6.414 -12.576 1.00 50.60 O +ATOM 766 CB GLU A 116 -55.698 6.943 -9.391 1.00 54.22 C +ATOM 767 CG GLU A 116 -55.700 6.584 -7.889 1.00 51.74 C +ATOM 768 CD GLU A 116 -56.036 7.789 -6.988 1.00 48.40 C +ATOM 769 OE1 GLU A 116 -56.460 7.531 -5.840 1.00 47.29 O +ATOM 770 OE2 GLU A 116 -55.879 8.940 -7.440 1.00 48.25 O +ATOM 771 N PRO A 117 -57.224 6.303 -12.148 1.00 59.19 N +ATOM 772 CA PRO A 117 -57.691 6.648 -13.502 1.00 62.16 C +ATOM 773 C PRO A 117 -57.512 8.116 -13.939 1.00 58.85 C +ATOM 774 O PRO A 117 -57.731 9.022 -13.145 1.00 57.24 O +ATOM 775 CB PRO A 117 -59.196 6.301 -13.521 1.00 62.91 C +ATOM 776 CG PRO A 117 -59.397 5.347 -12.354 1.00 58.62 C +ATOM 777 CD PRO A 117 -58.354 5.808 -11.356 1.00 60.52 C +ATOM 778 N GLY A 118 -57.202 8.362 -15.239 1.00 57.38 N +ATOM 779 CA GLY A 118 -57.027 9.714 -15.798 1.00 59.02 C +ATOM 780 C GLY A 118 -57.700 10.004 -17.162 1.00 59.07 C +ATOM 781 O GLY A 118 -57.945 9.096 -17.949 1.00 55.96 O +ATOM 782 N THR A 119 -58.000 11.298 -17.447 1.00 47.34 N +ATOM 783 CA THR A 119 -58.707 11.795 -18.647 1.00 51.54 C +ATOM 784 C THR A 119 -57.782 12.416 -19.714 1.00 48.71 C +ATOM 785 O THR A 119 -56.665 12.824 -19.425 1.00 48.52 O +ATOM 786 CB THR A 119 -59.807 12.802 -18.259 1.00 52.16 C +ATOM 787 OG1 THR A 119 -59.259 13.840 -17.488 1.00 50.36 O +ATOM 788 CG2 THR A 119 -60.927 12.175 -17.438 1.00 50.55 C +ATOM 789 N GLN A 120 -58.212 12.486 -20.975 1.00 53.73 N +ATOM 790 CA GLN A 120 -57.417 12.794 -22.179 1.00 58.25 C +ATOM 791 C GLN A 120 -57.215 14.307 -22.450 1.00 55.30 C +ATOM 792 O GLN A 120 -58.166 15.078 -22.398 1.00 52.72 O +ATOM 793 CB GLN A 120 -58.129 12.105 -23.358 1.00 56.87 C +ATOM 794 CG GLN A 120 -57.426 12.215 -24.719 1.00 52.91 C +ATOM 795 CD GLN A 120 -58.142 11.433 -25.823 1.00 49.29 C +ATOM 796 OE1 GLN A 120 -59.140 10.774 -25.639 1.00 49.08 O +ATOM 797 NE2 GLN A 120 -57.635 11.468 -27.040 1.00 46.66 N +ATOM 798 N GLY A 121 -55.977 14.727 -22.852 1.00 56.19 N +ATOM 799 CA GLY A 121 -55.624 16.115 -23.240 1.00 57.86 C +ATOM 800 C GLY A 121 -54.873 16.252 -24.585 1.00 57.45 C +ATOM 801 O GLY A 121 -54.347 15.272 -25.104 1.00 55.03 O +ATOM 802 N ALA A 122 -54.852 17.478 -25.173 1.00 52.56 N +ATOM 803 CA ALA A 122 -54.452 17.803 -26.550 1.00 56.72 C +ATOM 804 C ALA A 122 -52.926 17.935 -26.798 1.00 56.09 C +ATOM 805 O ALA A 122 -52.143 18.109 -25.871 1.00 54.90 O +ATOM 806 CB ALA A 122 -55.192 19.079 -26.968 1.00 54.98 C +ATOM 807 N LYS A 123 -52.473 17.864 -28.081 1.00 55.91 N +ATOM 808 CA LYS A 123 -51.080 17.716 -28.554 1.00 61.31 C +ATOM 809 C LYS A 123 -50.213 18.988 -28.391 1.00 59.23 C +ATOM 810 O LYS A 123 -50.604 20.051 -28.844 1.00 58.13 O +ATOM 811 CB LYS A 123 -51.142 17.297 -30.035 1.00 59.72 C +ATOM 812 CG LYS A 123 -49.780 17.117 -30.696 1.00 54.53 C +ATOM 813 CD LYS A 123 -49.923 16.625 -32.138 1.00 54.44 C +ATOM 814 CE LYS A 123 -48.534 16.423 -32.747 1.00 52.71 C +ATOM 815 NZ LYS A 123 -48.599 15.990 -34.159 1.00 47.84 N +ATOM 816 N GLY A 124 -48.981 18.849 -27.853 1.00 55.99 N +ATOM 817 CA GLY A 124 -47.955 19.906 -27.801 1.00 57.76 C +ATOM 818 C GLY A 124 -46.858 19.765 -28.873 1.00 59.01 C +ATOM 819 O GLY A 124 -46.642 18.672 -29.391 1.00 56.26 O +ATOM 820 N ASP A 125 -46.166 20.884 -29.194 1.00 52.69 N +ATOM 821 CA ASP A 125 -45.113 20.962 -30.210 1.00 57.21 C +ATOM 822 C ASP A 125 -43.836 20.200 -29.812 1.00 55.62 C +ATOM 823 O ASP A 125 -43.574 19.915 -28.640 1.00 54.41 O +ATOM 824 CB ASP A 125 -44.798 22.431 -30.550 1.00 55.72 C +ATOM 825 CG ASP A 125 -45.971 23.143 -31.225 1.00 53.46 C +ATOM 826 OD1 ASP A 125 -46.640 22.494 -32.063 1.00 51.40 O +ATOM 827 OD2 ASP A 125 -46.203 24.320 -30.890 1.00 49.08 O +ATOM 828 N ARG A 126 -43.012 19.836 -30.824 1.00 55.02 N +ATOM 829 CA ARG A 126 -41.769 19.072 -30.639 1.00 59.12 C +ATOM 830 C ARG A 126 -40.706 19.947 -29.965 1.00 56.94 C +ATOM 831 O ARG A 126 -40.343 20.974 -30.508 1.00 55.30 O +ATOM 832 CB ARG A 126 -41.287 18.552 -32.002 1.00 58.45 C +ATOM 833 CG ARG A 126 -40.008 17.701 -31.900 1.00 53.91 C +ATOM 834 CD ARG A 126 -39.621 17.166 -33.276 1.00 54.25 C +ATOM 835 NE ARG A 126 -38.439 16.308 -33.197 1.00 53.21 N +ATOM 836 CZ ARG A 126 -37.793 15.756 -34.215 1.00 48.34 C +ATOM 837 NH1 ARG A 126 -38.178 15.938 -35.446 1.00 49.03 N +ATOM 838 NH2 ARG A 126 -36.742 15.017 -34.003 1.00 47.52 N +ATOM 839 N GLY A 127 -40.159 19.503 -28.844 1.00 60.99 N +ATOM 840 CA GLY A 127 -39.017 20.168 -28.208 1.00 61.66 C +ATOM 841 C GLY A 127 -37.730 20.057 -29.036 1.00 62.50 C +ATOM 842 O GLY A 127 -37.515 19.050 -29.717 1.00 59.60 O +ATOM 843 N GLU A 128 -36.856 21.081 -28.958 1.00 53.57 N +ATOM 844 CA GLU A 128 -35.532 21.079 -29.578 1.00 57.63 C +ATOM 845 C GLU A 128 -34.608 20.024 -28.938 1.00 55.27 C +ATOM 846 O GLU A 128 -34.762 19.639 -27.780 1.00 54.35 O +ATOM 847 CB GLU A 128 -34.896 22.477 -29.541 1.00 57.12 C +ATOM 848 CG GLU A 128 -35.707 23.498 -30.374 1.00 54.22 C +ATOM 849 CD GLU A 128 -35.009 24.852 -30.532 1.00 51.88 C +ATOM 850 OE1 GLU A 128 -35.406 25.579 -31.469 1.00 50.90 O +ATOM 851 OE2 GLU A 128 -34.088 25.147 -29.741 1.00 49.70 O +ATOM 852 N THR A 129 -33.654 19.529 -29.741 1.00 64.58 N +ATOM 853 CA THR A 129 -32.664 18.554 -29.257 1.00 66.01 C +ATOM 854 C THR A 129 -31.684 19.263 -28.322 1.00 63.23 C +ATOM 855 O THR A 129 -31.119 20.284 -28.685 1.00 59.61 O +ATOM 856 CB THR A 129 -31.923 17.899 -30.433 1.00 64.73 C +ATOM 857 OG1 THR A 129 -32.856 17.260 -31.278 1.00 61.26 O +ATOM 858 CG2 THR A 129 -30.911 16.849 -30.013 1.00 61.66 C +ATOM 859 N GLY A 130 -31.465 18.719 -27.131 1.00 62.78 N +ATOM 860 CA GLY A 130 -30.481 19.265 -26.197 1.00 63.33 C +ATOM 861 C GLY A 130 -29.053 19.198 -26.743 1.00 64.14 C +ATOM 862 O GLY A 130 -28.742 18.310 -27.541 1.00 61.84 O +ATOM 863 N PRO A 131 -28.149 20.110 -26.323 1.00 65.47 N +ATOM 864 CA PRO A 131 -26.757 20.098 -26.732 1.00 68.01 C +ATOM 865 C PRO A 131 -26.050 18.820 -26.271 1.00 66.21 C +ATOM 866 O PRO A 131 -26.392 18.231 -25.241 1.00 64.54 O +ATOM 867 CB PRO A 131 -26.131 21.361 -26.129 1.00 67.18 C +ATOM 868 CG PRO A 131 -26.994 21.629 -24.902 1.00 65.72 C +ATOM 869 CD PRO A 131 -28.385 21.175 -25.351 1.00 68.25 C +ATOM 870 N VAL A 132 -25.009 18.410 -27.025 1.00 67.24 N +ATOM 871 CA VAL A 132 -24.133 17.303 -26.637 1.00 69.70 C +ATOM 872 C VAL A 132 -23.414 17.652 -25.330 1.00 69.21 C +ATOM 873 O VAL A 132 -22.889 18.756 -25.179 1.00 65.86 O +ATOM 874 CB VAL A 132 -23.123 16.980 -27.760 1.00 67.07 C +ATOM 875 CG1 VAL A 132 -22.189 15.823 -27.404 1.00 62.07 C +ATOM 876 CG2 VAL A 132 -23.837 16.612 -29.061 1.00 63.31 C +ATOM 877 N GLY A 133 -23.386 16.723 -24.384 1.00 64.55 N +ATOM 878 CA GLY A 133 -22.666 16.906 -23.132 1.00 65.90 C +ATOM 879 C GLY A 133 -21.154 17.068 -23.358 1.00 67.94 C +ATOM 880 O GLY A 133 -20.607 16.493 -24.297 1.00 66.74 O +ATOM 881 N PRO A 134 -20.442 17.816 -22.491 1.00 67.47 N +ATOM 882 CA PRO A 134 -18.995 17.956 -22.586 1.00 70.16 C +ATOM 883 C PRO A 134 -18.311 16.590 -22.433 1.00 69.85 C +ATOM 884 O PRO A 134 -18.811 15.687 -21.754 1.00 68.35 O +ATOM 885 CB PRO A 134 -18.594 18.930 -21.473 1.00 68.48 C +ATOM 886 CG PRO A 134 -19.699 18.767 -20.441 1.00 65.83 C +ATOM 887 CD PRO A 134 -20.939 18.484 -21.298 1.00 67.32 C +ATOM 888 N ARG A 135 -17.120 16.451 -23.060 1.00 66.95 N +ATOM 889 CA ARG A 135 -16.281 15.260 -22.890 1.00 71.28 C +ATOM 890 C ARG A 135 -15.869 15.107 -21.429 1.00 70.76 C +ATOM 891 O ARG A 135 -15.447 16.076 -20.807 1.00 67.43 O +ATOM 892 CB ARG A 135 -15.073 15.362 -23.829 1.00 67.92 C +ATOM 893 CG ARG A 135 -14.264 14.073 -23.816 1.00 63.52 C +ATOM 894 CD ARG A 135 -13.165 14.133 -24.869 1.00 62.25 C +ATOM 895 NE ARG A 135 -12.508 12.830 -24.987 1.00 60.18 N +ATOM 896 CZ ARG A 135 -11.356 12.591 -25.581 1.00 54.20 C +ATOM 897 NH1 ARG A 135 -10.646 13.544 -26.124 1.00 53.83 N +ATOM 898 NH2 ARG A 135 -10.903 11.379 -25.626 1.00 52.62 N +ATOM 899 N GLY A 136 -15.942 13.891 -20.911 1.00 65.47 N +ATOM 900 CA GLY A 136 -15.488 13.597 -19.559 1.00 66.16 C +ATOM 901 C GLY A 136 -13.998 13.892 -19.373 1.00 68.80 C +ATOM 902 O GLY A 136 -13.186 13.677 -20.279 1.00 67.23 O +ATOM 903 N GLU A 137 -13.629 14.375 -18.183 1.00 61.63 N +ATOM 904 CA GLU A 137 -12.234 14.615 -17.824 1.00 66.20 C +ATOM 905 C GLU A 137 -11.443 13.304 -17.775 1.00 65.01 C +ATOM 906 O GLU A 137 -11.986 12.211 -17.568 1.00 63.78 O +ATOM 907 CB GLU A 137 -12.137 15.372 -16.492 1.00 63.96 C +ATOM 908 CG GLU A 137 -12.737 16.789 -16.607 1.00 60.03 C +ATOM 909 CD GLU A 137 -12.556 17.643 -15.343 1.00 56.59 C +ATOM 910 OE1 GLU A 137 -12.754 18.876 -15.461 1.00 54.14 O +ATOM 911 OE2 GLU A 137 -12.246 17.062 -14.280 1.00 53.00 O +ATOM 912 N ARG A 138 -10.113 13.407 -18.015 1.00 66.56 N +ATOM 913 CA ARG A 138 -9.197 12.263 -17.891 1.00 70.15 C +ATOM 914 C ARG A 138 -9.179 11.799 -16.437 1.00 69.09 C +ATOM 915 O ARG A 138 -9.061 12.620 -15.542 1.00 65.64 O +ATOM 916 CB ARG A 138 -7.811 12.669 -18.407 1.00 67.57 C +ATOM 917 CG ARG A 138 -6.866 11.471 -18.501 1.00 63.96 C +ATOM 918 CD ARG A 138 -5.510 11.899 -19.077 1.00 63.03 C +ATOM 919 NE ARG A 138 -4.697 10.735 -19.416 1.00 61.43 N +ATOM 920 CZ ARG A 138 -3.387 10.587 -19.300 1.00 56.25 C +ATOM 921 NH1 ARG A 138 -2.591 11.532 -18.909 1.00 56.21 N +ATOM 922 NH2 ARG A 138 -2.850 9.449 -19.563 1.00 54.54 N +ATOM 923 N GLY A 139 -9.257 10.488 -16.213 1.00 63.05 N +ATOM 924 CA GLY A 139 -9.098 9.934 -14.876 1.00 63.66 C +ATOM 925 C GLY A 139 -7.722 10.259 -14.292 1.00 65.51 C +ATOM 926 O GLY A 139 -6.735 10.325 -15.027 1.00 63.72 O +ATOM 927 N GLU A 140 -7.664 10.442 -12.983 1.00 56.75 N +ATOM 928 CA GLU A 140 -6.413 10.636 -12.255 1.00 60.93 C +ATOM 929 C GLU A 140 -5.498 9.414 -12.404 1.00 57.92 C +ATOM 930 O GLU A 140 -5.953 8.277 -12.564 1.00 57.27 O +ATOM 931 CB GLU A 140 -6.679 10.942 -10.778 1.00 60.88 C +ATOM 932 CG GLU A 140 -7.425 12.284 -10.579 1.00 57.15 C +ATOM 933 CD GLU A 140 -7.637 12.648 -9.099 1.00 54.48 C +ATOM 934 OE1 GLU A 140 -7.956 13.831 -8.845 1.00 53.05 O +ATOM 935 OE2 GLU A 140 -7.501 11.749 -8.229 1.00 52.00 O +ATOM 936 N ALA A 141 -4.165 9.653 -12.346 1.00 66.36 N +ATOM 937 CA ALA A 141 -3.187 8.580 -12.322 1.00 67.94 C +ATOM 938 C ALA A 141 -3.397 7.691 -11.093 1.00 66.86 C +ATOM 939 O ALA A 141 -3.734 8.166 -10.010 1.00 63.68 O +ATOM 940 CB ALA A 141 -1.776 9.177 -12.385 1.00 66.39 C +ATOM 941 N GLY A 142 -3.199 6.391 -11.266 1.00 60.57 N +ATOM 942 CA GLY A 142 -3.226 5.476 -10.131 1.00 61.99 C +ATOM 943 C GLY A 142 -2.126 5.807 -9.109 1.00 62.73 C +ATOM 944 O GLY A 142 -1.081 6.335 -9.496 1.00 61.03 O +ATOM 945 N PRO A 143 -2.324 5.477 -7.828 1.00 59.46 N +ATOM 946 CA PRO A 143 -1.295 5.674 -6.815 1.00 63.21 C +ATOM 947 C PRO A 143 -0.037 4.860 -7.148 1.00 60.95 C +ATOM 948 O PRO A 143 -0.123 3.788 -7.759 1.00 59.74 O +ATOM 949 CB PRO A 143 -1.927 5.240 -5.491 1.00 63.67 C +ATOM 950 CG PRO A 143 -2.988 4.222 -5.925 1.00 61.85 C +ATOM 951 CD PRO A 143 -3.467 4.781 -7.268 1.00 64.19 C +ATOM 952 N ALA A 144 1.125 5.351 -6.690 1.00 66.09 N +ATOM 953 CA ALA A 144 2.371 4.613 -6.783 1.00 69.33 C +ATOM 954 C ALA A 144 2.257 3.240 -6.090 1.00 67.96 C +ATOM 955 O ALA A 144 1.548 3.075 -5.088 1.00 65.07 O +ATOM 956 CB ALA A 144 3.506 5.453 -6.200 1.00 67.86 C +ATOM 957 N GLY A 145 2.941 2.238 -6.650 1.00 61.59 N +ATOM 958 CA GLY A 145 3.060 0.935 -6.020 1.00 64.05 C +ATOM 959 C GLY A 145 3.737 1.036 -4.652 1.00 66.42 C +ATOM 960 O GLY A 145 4.575 1.902 -4.430 1.00 64.68 O +ATOM 961 N LYS A 146 3.372 0.138 -3.741 1.00 61.66 N +ATOM 962 CA LYS A 146 4.037 0.053 -2.437 1.00 67.52 C +ATOM 963 C LYS A 146 5.482 -0.405 -2.616 1.00 66.97 C +ATOM 964 O LYS A 146 5.770 -1.192 -3.517 1.00 66.48 O +ATOM 965 CB LYS A 146 3.294 -0.914 -1.506 1.00 64.86 C +ATOM 966 CG LYS A 146 1.875 -0.440 -1.167 1.00 60.65 C +ATOM 967 CD LYS A 146 1.220 -1.419 -0.200 1.00 58.50 C +ATOM 968 CE LYS A 146 -0.211 -0.978 0.124 1.00 55.05 C +ATOM 969 NZ LYS A 146 -0.865 -1.927 1.052 1.00 48.55 N +ATOM 970 N ASP A 147 6.354 0.052 -1.724 1.00 68.61 N +ATOM 971 CA ASP A 147 7.732 -0.423 -1.669 1.00 72.77 C +ATOM 972 C ASP A 147 7.779 -1.942 -1.480 1.00 72.41 C +ATOM 973 O ASP A 147 6.903 -2.546 -0.850 1.00 68.74 O +ATOM 974 CB ASP A 147 8.508 0.294 -0.555 1.00 69.48 C +ATOM 975 CG ASP A 147 8.608 1.808 -0.766 1.00 65.46 C +ATOM 976 OD1 ASP A 147 8.460 2.253 -1.931 1.00 62.27 O +ATOM 977 OD2 ASP A 147 8.786 2.515 0.242 1.00 59.68 O +ATOM 978 N GLY A 148 8.789 -2.575 -2.075 1.00 68.47 N +ATOM 979 CA GLY A 148 9.032 -3.993 -1.880 1.00 69.88 C +ATOM 980 C GLY A 148 9.369 -4.312 -0.423 1.00 72.02 C +ATOM 981 O GLY A 148 9.990 -3.514 0.272 1.00 70.38 O +ATOM 982 N GLU A 149 8.966 -5.486 0.027 1.00 60.02 N +ATOM 983 CA GLU A 149 9.316 -5.965 1.369 1.00 65.71 C +ATOM 984 C GLU A 149 10.832 -6.179 1.483 1.00 64.94 C +ATOM 985 O GLU A 149 11.508 -6.553 0.523 1.00 64.00 O +ATOM 986 CB GLU A 149 8.554 -7.250 1.716 1.00 64.52 C +ATOM 987 CG GLU A 149 7.029 -7.005 1.811 1.00 59.92 C +ATOM 988 CD GLU A 149 6.232 -8.247 2.230 1.00 55.83 C +ATOM 989 OE1 GLU A 149 5.025 -8.066 2.541 1.00 53.50 O +ATOM 990 OE2 GLU A 149 6.791 -9.364 2.218 1.00 52.56 O +ATOM 991 N ARG A 150 11.361 -5.947 2.691 1.00 66.76 N +ATOM 992 CA ARG A 150 12.766 -6.214 3.003 1.00 70.69 C +ATOM 993 C ARG A 150 13.087 -7.691 2.807 1.00 68.49 C +ATOM 994 O ARG A 150 12.320 -8.561 3.218 1.00 64.01 O +ATOM 995 CB ARG A 150 13.064 -5.739 4.428 1.00 68.32 C +ATOM 996 CG ARG A 150 14.573 -5.763 4.722 1.00 65.17 C +ATOM 997 CD ARG A 150 14.867 -5.118 6.071 1.00 64.26 C +ATOM 998 NE ARG A 150 16.306 -4.860 6.208 1.00 61.48 N +ATOM 999 CZ ARG A 150 17.026 -4.897 7.306 1.00 55.77 C +ATOM 1000 NH1 ARG A 150 16.516 -5.082 8.479 1.00 55.59 N +ATOM 1001 NH2 ARG A 150 18.306 -4.757 7.222 1.00 54.06 N +ATOM 1002 N GLY A 151 14.215 -7.981 2.175 1.00 70.42 N +ATOM 1003 CA GLY A 151 14.681 -9.354 2.015 1.00 70.64 C +ATOM 1004 C GLY A 151 14.886 -10.056 3.369 1.00 71.81 C +ATOM 1005 O GLY A 151 15.199 -9.397 4.362 1.00 70.51 O +ATOM 1006 N PRO A 152 14.737 -11.389 3.416 1.00 67.05 N +ATOM 1007 CA PRO A 152 14.969 -12.144 4.644 1.00 70.41 C +ATOM 1008 C PRO A 152 16.432 -12.028 5.091 1.00 68.63 C +ATOM 1009 O PRO A 152 17.339 -11.898 4.270 1.00 66.86 O +ATOM 1010 CB PRO A 152 14.582 -13.587 4.320 1.00 69.78 C +ATOM 1011 CG PRO A 152 14.815 -13.682 2.816 1.00 67.30 C +ATOM 1012 CD PRO A 152 14.437 -12.278 2.324 1.00 70.23 C +ATOM 1013 N VAL A 153 16.646 -12.140 6.402 1.00 73.04 N +ATOM 1014 CA VAL A 153 17.990 -12.237 6.987 1.00 75.33 C +ATOM 1015 C VAL A 153 18.710 -13.467 6.417 1.00 74.22 C +ATOM 1016 O VAL A 153 18.113 -14.541 6.289 1.00 70.87 O +ATOM 1017 CB VAL A 153 17.922 -12.288 8.528 1.00 72.61 C +ATOM 1018 CG1 VAL A 153 19.313 -12.347 9.175 1.00 66.78 C +ATOM 1019 CG2 VAL A 153 17.204 -11.065 9.103 1.00 68.07 C +ATOM 1020 N GLY A 154 19.966 -13.300 6.055 1.00 69.65 N +ATOM 1021 CA GLY A 154 20.800 -14.400 5.591 1.00 69.61 C +ATOM 1022 C GLY A 154 20.966 -15.488 6.671 1.00 70.63 C +ATOM 1023 O GLY A 154 20.904 -15.183 7.858 1.00 70.07 O +ATOM 1024 N PRO A 155 21.181 -16.750 6.269 1.00 66.99 N +ATOM 1025 CA PRO A 155 21.421 -17.822 7.228 1.00 70.41 C +ATOM 1026 C PRO A 155 22.689 -17.547 8.047 1.00 68.67 C +ATOM 1027 O PRO A 155 23.645 -16.964 7.537 1.00 66.47 O +ATOM 1028 CB PRO A 155 21.547 -19.099 6.393 1.00 69.92 C +ATOM 1029 CG PRO A 155 22.044 -18.584 5.045 1.00 67.81 C +ATOM 1030 CD PRO A 155 21.353 -17.221 4.915 1.00 70.08 C +ATOM 1031 N ALA A 156 22.689 -18.027 9.297 1.00 72.85 N +ATOM 1032 CA ALA A 156 23.884 -17.983 10.124 1.00 75.22 C +ATOM 1033 C ALA A 156 25.073 -18.688 9.435 1.00 73.78 C +ATOM 1034 O ALA A 156 24.904 -19.659 8.687 1.00 70.45 O +ATOM 1035 CB ALA A 156 23.576 -18.607 11.496 1.00 72.84 C +ATOM 1036 N GLY A 157 26.262 -18.172 9.685 1.00 71.06 N +ATOM 1037 CA GLY A 157 27.496 -18.812 9.252 1.00 71.28 C +ATOM 1038 C GLY A 157 27.641 -20.210 9.862 1.00 71.81 C +ATOM 1039 O GLY A 157 27.101 -20.493 10.927 1.00 70.59 O +ATOM 1040 N LYS A 158 28.362 -21.080 9.159 1.00 67.79 N +ATOM 1041 CA LYS A 158 28.661 -22.412 9.702 1.00 71.51 C +ATOM 1042 C LYS A 158 29.628 -22.291 10.883 1.00 70.46 C +ATOM 1043 O LYS A 158 30.545 -21.475 10.833 1.00 69.20 O +ATOM 1044 CB LYS A 158 29.276 -23.318 8.617 1.00 68.83 C +ATOM 1045 CG LYS A 158 28.297 -23.591 7.468 1.00 64.57 C +ATOM 1046 CD LYS A 158 28.948 -24.532 6.447 1.00 62.80 C +ATOM 1047 CE LYS A 158 27.975 -24.784 5.292 1.00 59.08 C +ATOM 1048 NZ LYS A 158 28.577 -25.680 4.279 1.00 52.44 N +ATOM 1049 N ASP A 159 29.444 -23.175 11.853 1.00 73.00 N +ATOM 1050 CA ASP A 159 30.358 -23.280 12.983 1.00 74.67 C +ATOM 1051 C ASP A 159 31.806 -23.484 12.503 1.00 73.53 C +ATOM 1052 O ASP A 159 32.071 -24.128 11.474 1.00 69.65 O +ATOM 1053 CB ASP A 159 29.940 -24.420 13.922 1.00 71.99 C +ATOM 1054 CG ASP A 159 28.509 -24.286 14.454 1.00 67.59 C +ATOM 1055 OD1 ASP A 159 27.955 -23.166 14.373 1.00 64.41 O +ATOM 1056 OD2 ASP A 159 27.950 -25.338 14.829 1.00 62.74 O +ATOM 1057 N GLY A 160 32.735 -22.923 13.252 1.00 75.05 N +ATOM 1058 CA GLY A 160 34.154 -23.161 13.038 1.00 74.52 C +ATOM 1059 C GLY A 160 34.508 -24.643 13.217 1.00 74.70 C +ATOM 1060 O GLY A 160 33.882 -25.372 13.978 1.00 73.05 O +ATOM 1061 N GLN A 161 35.525 -25.071 12.494 1.00 67.01 N +ATOM 1062 CA GLN A 161 36.044 -26.426 12.684 1.00 69.94 C +ATOM 1063 C GLN A 161 36.672 -26.561 14.076 1.00 70.10 C +ATOM 1064 O GLN A 161 37.305 -25.625 14.565 1.00 67.96 O +ATOM 1065 CB GLN A 161 37.062 -26.774 11.594 1.00 68.10 C +ATOM 1066 CG GLN A 161 36.405 -26.854 10.201 1.00 64.36 C +ATOM 1067 CD GLN A 161 37.382 -27.217 9.083 1.00 59.96 C +ATOM 1068 OE1 GLN A 161 38.579 -27.327 9.247 1.00 59.15 O +ATOM 1069 NE2 GLN A 161 36.893 -27.400 7.879 1.00 54.33 N +ATOM 1070 N ASN A 162 36.481 -27.732 14.670 1.00 74.69 N +ATOM 1071 CA ASN A 162 37.145 -28.031 15.932 1.00 76.29 C +ATOM 1072 C ASN A 162 38.666 -27.877 15.804 1.00 74.44 C +ATOM 1073 O ASN A 162 39.250 -28.123 14.748 1.00 70.91 O +ATOM 1074 CB ASN A 162 36.764 -29.457 16.393 1.00 73.44 C +ATOM 1075 CG ASN A 162 35.299 -29.604 16.760 1.00 68.26 C +ATOM 1076 OD1 ASN A 162 34.569 -28.647 16.933 1.00 65.20 O +ATOM 1077 ND2 ASN A 162 34.817 -30.809 16.886 1.00 62.57 N +ATOM 1078 N GLY A 163 39.282 -27.463 16.891 1.00 73.72 N +ATOM 1079 CA GLY A 163 40.739 -27.453 16.976 1.00 73.23 C +ATOM 1080 C GLY A 163 41.315 -28.863 16.803 1.00 74.00 C +ATOM 1081 O GLY A 163 40.662 -29.861 17.101 1.00 72.72 O +ATOM 1082 N GLN A 164 42.528 -28.931 16.293 1.00 66.10 N +ATOM 1083 CA GLN A 164 43.241 -30.207 16.204 1.00 69.30 C +ATOM 1084 C GLN A 164 43.590 -30.710 17.610 1.00 69.04 C +ATOM 1085 O GLN A 164 43.920 -29.912 18.486 1.00 66.82 O +ATOM 1086 CB GLN A 164 44.517 -30.055 15.358 1.00 67.59 C +ATOM 1087 CG GLN A 164 44.197 -29.760 13.879 1.00 64.16 C +ATOM 1088 CD GLN A 164 45.440 -29.590 13.011 1.00 60.66 C +ATOM 1089 OE1 GLN A 164 46.578 -29.612 13.437 1.00 59.24 O +ATOM 1090 NE2 GLN A 164 45.262 -29.382 11.728 1.00 54.46 N +ATOM 1091 N ASP A 165 43.524 -32.013 17.767 1.00 70.85 N +ATOM 1092 CA ASP A 165 43.934 -32.650 19.013 1.00 72.26 C +ATOM 1093 C ASP A 165 45.373 -32.268 19.381 1.00 71.41 C +ATOM 1094 O ASP A 165 46.234 -32.042 18.525 1.00 67.63 O +ATOM 1095 CB ASP A 165 43.797 -34.176 18.913 1.00 69.56 C +ATOM 1096 CG ASP A 165 42.376 -34.656 18.622 1.00 65.87 C +ATOM 1097 OD1 ASP A 165 41.423 -33.874 18.878 1.00 63.35 O +ATOM 1098 OD2 ASP A 165 42.259 -35.773 18.083 1.00 61.31 O +ATOM 1099 N GLY A 166 45.605 -32.181 20.676 1.00 72.97 N +ATOM 1100 CA GLY A 166 46.949 -31.956 21.180 1.00 72.43 C +ATOM 1101 C GLY A 166 47.912 -33.077 20.762 1.00 73.38 C +ATOM 1102 O GLY A 166 47.536 -34.233 20.645 1.00 71.63 O +ATOM 1103 N LEU A 167 49.151 -32.705 20.551 1.00 65.84 N +ATOM 1104 CA LEU A 167 50.183 -33.709 20.250 1.00 68.86 C +ATOM 1105 C LEU A 167 50.361 -34.671 21.436 1.00 68.60 C +ATOM 1106 O LEU A 167 50.294 -34.227 22.587 1.00 67.67 O +ATOM 1107 CB LEU A 167 51.518 -33.013 19.905 1.00 67.78 C +ATOM 1108 CG LEU A 167 51.504 -32.184 18.607 1.00 63.58 C +ATOM 1109 CD1 LEU A 167 52.840 -31.457 18.457 1.00 61.25 C +ATOM 1110 CD2 LEU A 167 51.283 -33.043 17.362 1.00 59.72 C +ATOM 1111 N PRO A 168 50.622 -35.949 21.169 1.00 69.10 N +ATOM 1112 CA PRO A 168 50.970 -36.895 22.222 1.00 71.03 C +ATOM 1113 C PRO A 168 52.097 -36.374 23.123 1.00 68.95 C +ATOM 1114 O PRO A 168 53.015 -35.689 22.671 1.00 66.92 O +ATOM 1115 CB PRO A 168 51.378 -38.192 21.504 1.00 70.34 C +ATOM 1116 CG PRO A 168 50.613 -38.120 20.184 1.00 65.49 C +ATOM 1117 CD PRO A 168 50.587 -36.632 19.874 1.00 68.45 C +ATOM 1118 N GLY A 169 51.992 -36.701 24.395 1.00 72.30 N +ATOM 1119 CA GLY A 169 53.073 -36.430 25.335 1.00 71.64 C +ATOM 1120 C GLY A 169 54.368 -37.141 24.918 1.00 72.17 C +ATOM 1121 O GLY A 169 54.336 -38.173 24.253 1.00 71.10 O +ATOM 1122 N LYS A 170 55.477 -36.554 25.297 1.00 68.67 N +ATOM 1123 CA LYS A 170 56.770 -37.198 25.050 1.00 71.53 C +ATOM 1124 C LYS A 170 56.906 -38.431 25.935 1.00 71.47 C +ATOM 1125 O LYS A 170 56.512 -38.383 27.098 1.00 70.51 O +ATOM 1126 CB LYS A 170 57.933 -36.233 25.308 1.00 68.67 C +ATOM 1127 CG LYS A 170 57.930 -35.046 24.333 1.00 63.56 C +ATOM 1128 CD LYS A 170 59.131 -34.139 24.585 1.00 61.54 C +ATOM 1129 CE LYS A 170 59.077 -32.962 23.606 1.00 57.64 C +ATOM 1130 NZ LYS A 170 60.220 -32.032 23.794 1.00 51.27 N +ATOM 1131 N ASP A 171 57.523 -39.464 25.388 1.00 69.90 N +ATOM 1132 CA ASP A 171 57.851 -40.667 26.148 1.00 71.06 C +ATOM 1133 C ASP A 171 58.609 -40.328 27.438 1.00 69.10 C +ATOM 1134 O ASP A 171 59.366 -39.350 27.524 1.00 65.65 O +ATOM 1135 CB ASP A 171 58.658 -41.646 25.279 1.00 68.76 C +ATOM 1136 CG ASP A 171 57.943 -42.050 23.995 1.00 64.12 C +ATOM 1137 OD1 ASP A 171 56.696 -41.925 23.944 1.00 61.47 O +ATOM 1138 OD2 ASP A 171 58.656 -42.403 23.033 1.00 60.03 O +ATOM 1139 N GLY A 172 58.331 -41.113 28.453 1.00 70.52 N +ATOM 1140 CA GLY A 172 59.063 -41.021 29.709 1.00 69.57 C +ATOM 1141 C GLY A 172 60.566 -41.240 29.513 1.00 70.04 C +ATOM 1142 O GLY A 172 60.996 -41.932 28.600 1.00 68.65 O +ATOM 1143 N LYS A 173 61.348 -40.625 30.379 1.00 67.99 N +ATOM 1144 CA LYS A 173 62.798 -40.864 30.343 1.00 70.22 C +ATOM 1145 C LYS A 173 63.092 -42.282 30.826 1.00 69.89 C +ATOM 1146 O LYS A 173 62.506 -42.717 31.818 1.00 68.45 O +ATOM 1147 CB LYS A 173 63.548 -39.849 31.204 1.00 67.18 C +ATOM 1148 CG LYS A 173 63.449 -38.417 30.657 1.00 61.48 C +ATOM 1149 CD LYS A 173 64.259 -37.471 31.539 1.00 59.75 C +ATOM 1150 CE LYS A 173 64.149 -36.032 31.014 1.00 55.74 C +ATOM 1151 NZ LYS A 173 64.899 -35.088 31.875 1.00 50.04 N +ATOM 1152 N ASP A 174 64.012 -42.906 30.162 1.00 66.31 N +ATOM 1153 CA ASP A 174 64.501 -44.215 30.591 1.00 67.99 C +ATOM 1154 C ASP A 174 64.907 -44.211 32.068 1.00 66.30 C +ATOM 1155 O ASP A 174 65.450 -43.231 32.602 1.00 63.13 O +ATOM 1156 CB ASP A 174 65.699 -44.656 29.730 1.00 65.99 C +ATOM 1157 CG ASP A 174 65.379 -44.783 28.234 1.00 60.87 C +ATOM 1158 OD1 ASP A 174 64.185 -44.937 27.914 1.00 57.65 O +ATOM 1159 OD2 ASP A 174 66.338 -44.672 27.450 1.00 56.23 O +ATOM 1160 N GLY A 175 64.605 -45.315 32.728 1.00 64.56 N +ATOM 1161 CA GLY A 175 65.014 -45.523 34.110 1.00 64.11 C +ATOM 1162 C GLY A 175 66.542 -45.474 34.256 1.00 64.42 C +ATOM 1163 O GLY A 175 67.293 -45.924 33.400 1.00 62.93 O +ATOM 1164 N GLN A 176 66.967 -44.918 35.367 1.00 60.43 N +ATOM 1165 CA GLN A 176 68.400 -44.942 35.663 1.00 62.91 C +ATOM 1166 C GLN A 176 68.835 -46.367 36.024 1.00 62.74 C +ATOM 1167 O GLN A 176 68.169 -47.051 36.799 1.00 60.38 O +ATOM 1168 CB GLN A 176 68.743 -43.957 36.798 1.00 61.32 C +ATOM 1169 CG GLN A 176 68.541 -42.492 36.373 1.00 57.46 C +ATOM 1170 CD GLN A 176 68.932 -41.485 37.456 1.00 54.09 C +ATOM 1171 OE1 GLN A 176 69.335 -41.789 38.566 1.00 52.75 O +ATOM 1172 NE2 GLN A 176 68.829 -40.202 37.178 1.00 48.80 N +ATOM 1173 N ASN A 177 69.937 -46.786 35.470 1.00 68.07 N +ATOM 1174 CA ASN A 177 70.505 -48.082 35.828 1.00 68.98 C +ATOM 1175 C ASN A 177 70.770 -48.151 37.340 1.00 66.81 C +ATOM 1176 O ASN A 177 71.359 -47.239 37.928 1.00 63.10 O +ATOM 1177 CB ASN A 177 71.797 -48.329 35.021 1.00 66.18 C +ATOM 1178 CG ASN A 177 71.549 -48.562 33.537 1.00 59.48 C +ATOM 1179 OD1 ASN A 177 70.448 -48.841 33.102 1.00 56.32 O +ATOM 1180 ND2 ASN A 177 72.566 -48.472 32.711 1.00 54.56 N +ATOM 1181 N GLY A 178 70.316 -49.238 37.955 1.00 65.23 N +ATOM 1182 CA GLY A 178 70.615 -49.506 39.355 1.00 64.53 C +ATOM 1183 C GLY A 178 72.108 -49.739 39.574 1.00 64.37 C +ATOM 1184 O GLY A 178 72.802 -50.225 38.687 1.00 61.46 O +ATOM 1185 N LYS A 179 72.580 -49.392 40.769 1.00 71.45 N +ATOM 1186 CA LYS A 179 73.995 -49.612 41.108 1.00 73.44 C +ATOM 1187 C LYS A 179 74.367 -51.095 41.226 1.00 72.76 C +ATOM 1188 O LYS A 179 75.520 -51.424 41.021 1.00 69.73 O +ATOM 1189 CB LYS A 179 74.370 -48.825 42.364 1.00 70.65 C +ATOM 1190 CG LYS A 179 74.386 -47.309 42.118 1.00 65.00 C +ATOM 1191 CD LYS A 179 74.855 -46.561 43.371 1.00 61.84 C +ATOM 1192 CE LYS A 179 74.891 -45.046 43.121 1.00 58.19 C +ATOM 1193 NZ LYS A 179 75.324 -44.305 44.330 1.00 49.87 N +ATOM 1194 N ASP A 180 73.330 -51.967 41.475 1.00 66.83 N +ATOM 1195 CA ASP A 180 73.530 -53.402 41.727 1.00 68.59 C +ATOM 1196 C ASP A 180 72.588 -54.306 40.901 1.00 68.01 C +ATOM 1197 O ASP A 180 72.293 -55.436 41.295 1.00 63.31 O +ATOM 1198 CB ASP A 180 73.391 -53.657 43.252 1.00 65.29 C +ATOM 1199 CG ASP A 180 74.390 -52.850 44.076 1.00 59.23 C +ATOM 1200 OD1 ASP A 180 75.609 -52.996 43.835 1.00 55.58 O +ATOM 1201 OD2 ASP A 180 73.929 -52.066 44.939 1.00 53.84 O +ATOM 1202 N GLY A 181 72.060 -53.836 39.747 1.00 63.99 N +ATOM 1203 CA GLY A 181 71.152 -54.611 38.889 1.00 65.21 C +ATOM 1204 C GLY A 181 70.500 -53.770 37.786 1.00 66.11 C +ATOM 1205 O GLY A 181 70.673 -52.549 37.769 1.00 64.51 O +ATOM 1206 N PRO A 182 69.701 -54.394 36.821 1.00 64.77 N +ATOM 1207 CA PRO A 182 69.010 -53.649 35.780 1.00 67.25 C +ATOM 1208 C PRO A 182 68.022 -52.656 36.399 1.00 67.20 C +ATOM 1209 O PRO A 182 67.253 -53.003 37.302 1.00 64.36 O +ATOM 1210 CB PRO A 182 68.327 -54.699 34.894 1.00 66.06 C +ATOM 1211 CG PRO A 182 68.178 -55.909 35.806 1.00 62.36 C +ATOM 1212 CD PRO A 182 69.384 -55.815 36.738 1.00 64.48 C +ATOM 1213 N GLY A 183 68.033 -51.415 35.928 1.00 65.61 N +ATOM 1214 CA GLY A 183 67.080 -50.377 36.308 1.00 66.42 C +ATOM 1215 C GLY A 183 65.673 -50.688 35.805 1.00 67.16 C +ATOM 1216 O GLY A 183 65.494 -51.483 34.887 1.00 66.54 O +ATOM 1217 N LYS A 184 64.626 -50.098 36.438 1.00 69.08 N +ATOM 1218 CA LYS A 184 63.244 -50.185 35.942 1.00 71.83 C +ATOM 1219 C LYS A 184 63.076 -49.225 34.772 1.00 72.56 C +ATOM 1220 O LYS A 184 63.573 -48.099 34.841 1.00 70.96 O +ATOM 1221 CB LYS A 184 62.229 -49.874 37.048 1.00 68.57 C +ATOM 1222 CG LYS A 184 62.260 -50.915 38.176 1.00 62.81 C +ATOM 1223 CD LYS A 184 61.194 -50.611 39.226 1.00 60.90 C +ATOM 1224 CE LYS A 184 61.269 -51.668 40.337 1.00 56.37 C +ATOM 1225 NZ LYS A 184 60.246 -51.436 41.383 1.00 50.17 N +ATOM 1226 N ASP A 185 62.266 -49.630 33.732 1.00 68.80 N +ATOM 1227 CA ASP A 185 61.902 -48.773 32.612 1.00 70.38 C +ATOM 1228 C ASP A 185 61.215 -47.490 33.097 1.00 70.02 C +ATOM 1229 O ASP A 185 60.542 -47.466 34.142 1.00 67.06 O +ATOM 1230 CB ASP A 185 61.012 -49.549 31.610 1.00 67.41 C +ATOM 1231 CG ASP A 185 61.679 -50.822 31.062 1.00 62.75 C +ATOM 1232 OD1 ASP A 185 62.932 -50.883 31.084 1.00 60.32 O +ATOM 1233 OD2 ASP A 185 60.929 -51.752 30.724 1.00 59.02 O +ATOM 1234 N GLY A 186 61.411 -46.423 32.380 1.00 70.82 N +ATOM 1235 CA GLY A 186 60.725 -45.160 32.613 1.00 70.07 C +ATOM 1236 C GLY A 186 59.211 -45.300 32.391 1.00 70.70 C +ATOM 1237 O GLY A 186 58.757 -46.183 31.679 1.00 69.61 O +ATOM 1238 N LYS A 187 58.402 -44.442 33.041 1.00 69.06 N +ATOM 1239 CA LYS A 187 56.951 -44.409 32.790 1.00 71.41 C +ATOM 1240 C LYS A 187 56.679 -43.707 31.465 1.00 71.38 C +ATOM 1241 O LYS A 187 57.281 -42.670 31.199 1.00 70.34 O +ATOM 1242 CB LYS A 187 56.202 -43.688 33.915 1.00 68.18 C +ATOM 1243 CG LYS A 187 56.269 -44.441 35.248 1.00 62.32 C +ATOM 1244 CD LYS A 187 55.438 -43.698 36.299 1.00 60.16 C +ATOM 1245 CE LYS A 187 55.489 -44.433 37.640 1.00 56.03 C +ATOM 1246 NZ LYS A 187 54.668 -43.743 38.662 1.00 50.41 N +ATOM 1247 N ASP A 188 55.669 -44.214 30.674 1.00 71.32 N +ATOM 1248 CA ASP A 188 55.199 -43.575 29.452 1.00 72.76 C +ATOM 1249 C ASP A 188 54.768 -42.126 29.702 1.00 72.31 C +ATOM 1250 O ASP A 188 54.266 -41.768 30.777 1.00 68.71 O +ATOM 1251 CB ASP A 188 54.041 -44.378 28.828 1.00 69.79 C +ATOM 1252 CG ASP A 188 54.399 -45.829 28.503 1.00 65.11 C +ATOM 1253 OD1 ASP A 188 55.612 -46.116 28.356 1.00 62.30 O +ATOM 1254 OD2 ASP A 188 53.466 -46.656 28.493 1.00 60.38 O +ATOM 1255 N GLY A 189 54.947 -41.280 28.702 1.00 73.75 N +ATOM 1256 CA GLY A 189 54.475 -39.900 28.717 1.00 73.03 C +ATOM 1257 C GLY A 189 52.946 -39.821 28.748 1.00 73.43 C +ATOM 1258 O GLY A 189 52.243 -40.696 28.265 1.00 72.12 O +ATOM 1259 N GLN A 190 52.392 -38.742 29.325 1.00 69.61 N +ATOM 1260 CA GLN A 190 50.950 -38.485 29.280 1.00 72.03 C +ATOM 1261 C GLN A 190 50.546 -37.957 27.903 1.00 72.52 C +ATOM 1262 O GLN A 190 51.244 -37.115 27.343 1.00 70.60 O +ATOM 1263 CB GLN A 190 50.531 -37.502 30.382 1.00 69.31 C +ATOM 1264 CG GLN A 190 50.716 -38.108 31.789 1.00 64.56 C +ATOM 1265 CD GLN A 190 50.280 -37.176 32.916 1.00 60.29 C +ATOM 1266 OE1 GLN A 190 49.954 -36.010 32.760 1.00 59.21 O +ATOM 1267 NE2 GLN A 190 50.264 -37.655 34.143 1.00 54.75 N +ATOM 1268 N ASN A 191 49.362 -38.396 27.391 1.00 75.35 N +ATOM 1269 CA ASN A 191 48.800 -37.865 26.160 1.00 76.26 C +ATOM 1270 C ASN A 191 48.586 -36.351 26.265 1.00 74.64 C +ATOM 1271 O ASN A 191 48.307 -35.815 27.348 1.00 71.21 O +ATOM 1272 CB ASN A 191 47.490 -38.598 25.815 1.00 73.02 C +ATOM 1273 CG ASN A 191 47.682 -40.067 25.477 1.00 67.92 C +ATOM 1274 OD1 ASN A 191 48.780 -40.553 25.242 1.00 65.32 O +ATOM 1275 ND2 ASN A 191 46.625 -40.829 25.449 1.00 62.70 N +ATOM 1276 N GLY A 192 48.688 -35.657 25.133 1.00 74.10 N +ATOM 1277 CA GLY A 192 48.319 -34.249 25.016 1.00 73.20 C +ATOM 1278 C GLY A 192 46.829 -34.027 25.286 1.00 73.59 C +ATOM 1279 O GLY A 192 46.017 -34.940 25.159 1.00 72.20 O +ATOM 1280 N LYS A 193 46.451 -32.800 25.687 1.00 71.85 N +ATOM 1281 CA LYS A 193 45.038 -32.417 25.836 1.00 74.71 C +ATOM 1282 C LYS A 193 44.424 -32.164 24.461 1.00 75.28 C +ATOM 1283 O LYS A 193 45.088 -31.599 23.599 1.00 74.15 O +ATOM 1284 CB LYS A 193 44.899 -31.164 26.705 1.00 71.28 C +ATOM 1285 CG LYS A 193 45.360 -31.396 28.148 1.00 66.37 C +ATOM 1286 CD LYS A 193 45.153 -30.129 28.969 1.00 64.41 C +ATOM 1287 CE LYS A 193 45.627 -30.354 30.403 1.00 60.29 C +ATOM 1288 NZ LYS A 193 45.430 -29.139 31.239 1.00 54.37 N +ATOM 1289 N ASP A 194 43.116 -32.485 24.310 1.00 73.31 N +ATOM 1290 CA ASP A 194 42.350 -32.185 23.105 1.00 74.19 C +ATOM 1291 C ASP A 194 42.378 -30.686 22.779 1.00 73.74 C +ATOM 1292 O ASP A 194 42.459 -29.824 23.666 1.00 69.21 O +ATOM 1293 CB ASP A 194 40.891 -32.674 23.254 1.00 70.85 C +ATOM 1294 CG ASP A 194 40.768 -34.155 23.613 1.00 67.80 C +ATOM 1295 OD1 ASP A 194 41.742 -34.911 23.367 1.00 65.22 O +ATOM 1296 OD2 ASP A 194 39.745 -34.510 24.235 1.00 62.43 O +ATOM 1297 N GLY A 195 42.307 -30.371 21.480 1.00 74.16 N +ATOM 1298 CA GLY A 195 42.190 -28.997 20.993 1.00 73.44 C +ATOM 1299 C GLY A 195 40.875 -28.345 21.427 1.00 74.25 C +ATOM 1300 O GLY A 195 39.862 -29.000 21.631 1.00 72.68 O +ATOM 1301 N LEU A 196 40.870 -27.011 21.564 1.00 69.21 N +ATOM 1302 CA LEU A 196 39.644 -26.270 21.858 1.00 71.55 C +ATOM 1303 C LEU A 196 38.717 -26.267 20.629 1.00 71.40 C +ATOM 1304 O LEU A 196 39.214 -26.151 19.507 1.00 70.55 O +ATOM 1305 CB LEU A 196 39.972 -24.828 22.296 1.00 70.00 C +ATOM 1306 CG LEU A 196 40.731 -24.721 23.629 1.00 65.65 C +ATOM 1307 CD1 LEU A 196 41.110 -23.265 23.896 1.00 63.30 C +ATOM 1308 CD2 LEU A 196 39.893 -25.219 24.814 1.00 61.80 C +ATOM 1309 N PRO A 197 37.364 -26.304 20.814 1.00 73.54 N +ATOM 1310 CA PRO A 197 36.407 -26.124 19.724 1.00 74.92 C +ATOM 1311 C PRO A 197 36.662 -24.828 18.947 1.00 73.56 C +ATOM 1312 O PRO A 197 37.081 -23.812 19.511 1.00 70.32 O +ATOM 1313 CB PRO A 197 35.016 -26.123 20.370 1.00 73.15 C +ATOM 1314 CG PRO A 197 35.223 -26.946 21.644 1.00 69.76 C +ATOM 1315 CD PRO A 197 36.639 -26.599 22.056 1.00 72.02 C +ATOM 1316 N GLY A 198 36.379 -24.857 17.635 1.00 74.00 N +ATOM 1317 CA GLY A 198 36.375 -23.665 16.802 1.00 73.83 C +ATOM 1318 C GLY A 198 35.296 -22.672 17.235 1.00 74.58 C +ATOM 1319 O GLY A 198 34.317 -23.034 17.883 1.00 73.49 O +ATOM 1320 N LYS A 199 35.470 -21.391 16.886 1.00 70.86 N +ATOM 1321 CA LYS A 199 34.447 -20.359 17.133 1.00 73.53 C +ATOM 1322 C LYS A 199 33.330 -20.481 16.097 1.00 73.98 C +ATOM 1323 O LYS A 199 33.612 -20.731 14.927 1.00 72.60 O +ATOM 1324 CB LYS A 199 35.058 -18.947 17.079 1.00 70.29 C +ATOM 1325 CG LYS A 199 36.073 -18.718 18.196 1.00 65.95 C +ATOM 1326 CD LYS A 199 36.613 -17.293 18.129 1.00 63.40 C +ATOM 1327 CE LYS A 199 37.638 -17.081 19.237 1.00 59.90 C +ATOM 1328 NZ LYS A 199 38.189 -15.713 19.218 1.00 53.57 N +ATOM 1329 N ASP A 200 32.079 -20.172 16.506 1.00 74.83 N +ATOM 1330 CA ASP A 200 30.922 -20.114 15.624 1.00 76.05 C +ATOM 1331 C ASP A 200 31.166 -19.133 14.463 1.00 75.43 C +ATOM 1332 O ASP A 200 31.867 -18.113 14.596 1.00 71.38 O +ATOM 1333 CB ASP A 200 29.660 -19.723 16.406 1.00 72.96 C +ATOM 1334 CG ASP A 200 29.354 -20.651 17.594 1.00 69.27 C +ATOM 1335 OD1 ASP A 200 29.896 -21.780 17.612 1.00 65.86 O +ATOM 1336 OD2 ASP A 200 28.680 -20.173 18.521 1.00 63.50 O +ATOM 1337 N GLY A 201 30.592 -19.447 13.303 1.00 75.71 N +ATOM 1338 CA GLY A 201 30.568 -18.556 12.151 1.00 75.35 C +ATOM 1339 C GLY A 201 29.770 -17.284 12.441 1.00 75.70 C +ATOM 1340 O GLY A 201 28.864 -17.269 13.270 1.00 74.32 O +ATOM 1341 N LYS A 202 30.084 -16.194 11.726 1.00 72.85 N +ATOM 1342 CA LYS A 202 29.306 -14.952 11.820 1.00 75.04 C +ATOM 1343 C LYS A 202 27.957 -15.129 11.120 1.00 75.49 C +ATOM 1344 O LYS A 202 27.891 -15.771 10.077 1.00 74.23 O +ATOM 1345 CB LYS A 202 30.066 -13.776 11.202 1.00 71.47 C +ATOM 1346 CG LYS A 202 31.352 -13.435 11.969 1.00 66.21 C +ATOM 1347 CD LYS A 202 32.025 -12.220 11.325 1.00 63.43 C +ATOM 1348 CE LYS A 202 33.317 -11.873 12.071 1.00 59.79 C +ATOM 1349 NZ LYS A 202 33.981 -10.704 11.455 1.00 53.35 N +ATOM 1350 N ASP A 203 26.909 -14.465 11.654 1.00 74.13 N +ATOM 1351 CA ASP A 203 25.597 -14.410 11.020 1.00 76.06 C +ATOM 1352 C ASP A 203 25.694 -13.850 9.594 1.00 75.81 C +ATOM 1353 O ASP A 203 26.540 -13.009 9.275 1.00 71.63 O +ATOM 1354 CB ASP A 203 24.629 -13.578 11.869 1.00 72.79 C +ATOM 1355 CG ASP A 203 24.380 -14.159 13.261 1.00 69.01 C +ATOM 1356 OD1 ASP A 203 24.571 -15.388 13.416 1.00 65.35 O +ATOM 1357 OD2 ASP A 203 24.047 -13.360 14.153 1.00 62.92 O +ATOM 1358 N GLY A 204 24.798 -14.334 8.717 1.00 77.19 N +ATOM 1359 CA GLY A 204 24.632 -13.791 7.375 1.00 76.80 C +ATOM 1360 C GLY A 204 24.138 -12.340 7.417 1.00 77.50 C +ATOM 1361 O GLY A 204 23.447 -11.924 8.336 1.00 76.16 O +ATOM 1362 N GLN A 205 24.489 -11.567 6.380 1.00 70.03 N +ATOM 1363 CA GLN A 205 23.983 -10.204 6.229 1.00 72.90 C +ATOM 1364 C GLN A 205 22.495 -10.217 5.861 1.00 73.31 C +ATOM 1365 O GLN A 205 22.031 -11.102 5.145 1.00 71.34 O +ATOM 1366 CB GLN A 205 24.797 -9.439 5.176 1.00 70.71 C +ATOM 1367 CG GLN A 205 26.249 -9.205 5.632 1.00 66.63 C +ATOM 1368 CD GLN A 205 27.091 -8.438 4.619 1.00 61.35 C +ATOM 1369 OE1 GLN A 205 26.723 -8.164 3.485 1.00 60.66 O +ATOM 1370 NE2 GLN A 205 28.293 -8.062 4.982 1.00 56.29 N +ATOM 1371 N ASP A 206 21.756 -9.188 6.317 1.00 76.85 N +ATOM 1372 CA ASP A 206 20.365 -8.981 5.926 1.00 78.26 C +ATOM 1373 C ASP A 206 20.225 -8.870 4.405 1.00 78.03 C +ATOM 1374 O ASP A 206 21.084 -8.311 3.715 1.00 73.81 O +ATOM 1375 CB ASP A 206 19.810 -7.708 6.589 1.00 74.90 C +ATOM 1376 CG ASP A 206 19.686 -7.789 8.116 1.00 71.42 C +ATOM 1377 OD1 ASP A 206 19.724 -8.913 8.655 1.00 67.82 O +ATOM 1378 OD2 ASP A 206 19.476 -6.711 8.721 1.00 65.41 O +ATOM 1379 N GLY A 207 19.112 -9.377 3.867 1.00 78.41 N +ATOM 1380 CA GLY A 207 18.740 -9.156 2.482 1.00 78.68 C +ATOM 1381 C GLY A 207 18.538 -7.661 2.205 1.00 79.63 C +ATOM 1382 O GLY A 207 18.107 -6.901 3.067 1.00 78.28 O +ATOM 1383 N LYS A 208 18.842 -7.245 0.961 1.00 73.15 N +ATOM 1384 CA LYS A 208 18.586 -5.868 0.530 1.00 77.42 C +ATOM 1385 C LYS A 208 17.077 -5.622 0.427 1.00 77.68 C +ATOM 1386 O LYS A 208 16.333 -6.513 0.033 1.00 76.81 O +ATOM 1387 CB LYS A 208 19.258 -5.571 -0.815 1.00 73.97 C +ATOM 1388 CG LYS A 208 20.789 -5.631 -0.708 1.00 69.90 C +ATOM 1389 CD LYS A 208 21.424 -5.272 -2.050 1.00 66.37 C +ATOM 1390 CE LYS A 208 22.953 -5.356 -1.929 1.00 62.52 C +ATOM 1391 NZ LYS A 208 23.612 -5.017 -3.201 1.00 55.89 N +ATOM 1392 N ASP A 209 16.658 -4.379 0.720 1.00 77.92 N +ATOM 1393 CA ASP A 209 15.275 -3.948 0.538 1.00 79.15 C +ATOM 1394 C ASP A 209 14.833 -4.130 -0.915 1.00 78.91 C +ATOM 1395 O ASP A 209 15.615 -3.999 -1.865 1.00 74.61 O +ATOM 1396 CB ASP A 209 15.109 -2.491 0.997 1.00 75.70 C +ATOM 1397 CG ASP A 209 15.450 -2.278 2.477 1.00 73.05 C +ATOM 1398 OD1 ASP A 209 15.359 -3.264 3.248 1.00 69.41 O +ATOM 1399 OD2 ASP A 209 15.863 -1.157 2.824 1.00 66.47 O +ATOM 1400 N GLY A 210 13.548 -4.466 -1.094 1.00 77.87 N +ATOM 1401 CA GLY A 210 12.919 -4.507 -2.404 1.00 77.70 C +ATOM 1402 C GLY A 210 12.915 -3.124 -3.068 1.00 78.45 C +ATOM 1403 O GLY A 210 12.874 -2.100 -2.401 1.00 76.58 O +ATOM 1404 N LEU A 211 12.958 -3.115 -4.402 1.00 71.31 N +ATOM 1405 CA LEU A 211 12.827 -1.860 -5.140 1.00 74.66 C +ATOM 1406 C LEU A 211 11.407 -1.298 -4.986 1.00 74.53 C +ATOM 1407 O LEU A 211 10.456 -2.084 -4.958 1.00 74.55 O +ATOM 1408 CB LEU A 211 13.175 -2.069 -6.625 1.00 73.14 C +ATOM 1409 CG LEU A 211 14.635 -2.463 -6.893 1.00 68.28 C +ATOM 1410 CD1 LEU A 211 14.819 -2.767 -8.376 1.00 65.66 C +ATOM 1411 CD2 LEU A 211 15.615 -1.357 -6.512 1.00 63.53 C +ATOM 1412 N PRO A 212 11.235 0.049 -4.982 1.00 77.20 N +ATOM 1413 CA PRO A 212 9.917 0.671 -5.010 1.00 78.91 C +ATOM 1414 C PRO A 212 9.054 0.146 -6.158 1.00 77.96 C +ATOM 1415 O PRO A 212 9.539 -0.103 -7.267 1.00 75.62 O +ATOM 1416 CB PRO A 212 10.163 2.179 -5.139 1.00 77.54 C +ATOM 1417 CG PRO A 212 11.536 2.363 -4.498 1.00 75.42 C +ATOM 1418 CD PRO A 212 12.269 1.084 -4.861 1.00 77.35 C +ATOM 1419 N GLY A 213 7.759 -0.021 -5.891 1.00 77.91 N +ATOM 1420 CA GLY A 213 6.780 -0.340 -6.918 1.00 77.93 C +ATOM 1421 C GLY A 213 6.720 0.749 -7.991 1.00 78.28 C +ATOM 1422 O GLY A 213 6.937 1.924 -7.718 1.00 77.44 O +ATOM 1423 N LYS A 214 6.419 0.347 -9.233 1.00 74.48 N +ATOM 1424 CA LYS A 214 6.219 1.321 -10.312 1.00 76.81 C +ATOM 1425 C LYS A 214 4.923 2.095 -10.097 1.00 77.57 C +ATOM 1426 O LYS A 214 3.942 1.531 -9.626 1.00 76.76 O +ATOM 1427 CB LYS A 214 6.204 0.624 -11.680 1.00 73.48 C +ATOM 1428 CG LYS A 214 7.558 -0.029 -12.005 1.00 69.03 C +ATOM 1429 CD LYS A 214 7.529 -0.665 -13.396 1.00 65.39 C +ATOM 1430 CE LYS A 214 8.876 -1.322 -13.668 1.00 60.93 C +ATOM 1431 NZ LYS A 214 8.928 -1.966 -14.998 1.00 54.42 N +ATOM 1432 N ASP A 215 4.914 3.355 -10.544 1.00 74.51 N +ATOM 1433 CA ASP A 215 3.717 4.184 -10.535 1.00 76.48 C +ATOM 1434 C ASP A 215 2.554 3.502 -11.273 1.00 75.74 C +ATOM 1435 O ASP A 215 2.730 2.778 -12.262 1.00 71.95 O +ATOM 1436 CB ASP A 215 4.007 5.560 -11.153 1.00 73.47 C +ATOM 1437 CG ASP A 215 5.083 6.348 -10.408 1.00 69.96 C +ATOM 1438 OD1 ASP A 215 5.297 6.053 -9.213 1.00 67.15 O +ATOM 1439 OD2 ASP A 215 5.705 7.209 -11.070 1.00 64.24 O +ATOM 1440 N GLY A 216 1.347 3.743 -10.776 1.00 80.01 N +ATOM 1441 CA GLY A 216 0.124 3.317 -11.433 1.00 79.39 C +ATOM 1442 C GLY A 216 -0.006 3.933 -12.825 1.00 79.70 C +ATOM 1443 O GLY A 216 0.437 5.045 -13.084 1.00 78.70 O +ATOM 1444 N LYS A 217 -0.634 3.197 -13.742 1.00 76.08 N +ATOM 1445 CA LYS A 217 -0.941 3.735 -15.069 1.00 78.34 C +ATOM 1446 C LYS A 217 -1.971 4.854 -14.951 1.00 78.47 C +ATOM 1447 O LYS A 217 -2.899 4.756 -14.148 1.00 77.98 O +ATOM 1448 CB LYS A 217 -1.451 2.642 -16.012 1.00 74.76 C +ATOM 1449 CG LYS A 217 -0.372 1.589 -16.305 1.00 69.09 C +ATOM 1450 CD LYS A 217 -0.912 0.541 -17.277 1.00 65.90 C +ATOM 1451 CE LYS A 217 0.144 -0.519 -17.545 1.00 60.75 C +ATOM 1452 NZ LYS A 217 -0.361 -1.576 -18.452 1.00 54.55 N +ATOM 1453 N ASP A 218 -1.842 5.845 -15.829 1.00 74.63 N +ATOM 1454 CA ASP A 218 -2.835 6.904 -15.944 1.00 75.99 C +ATOM 1455 C ASP A 218 -4.247 6.337 -16.145 1.00 76.01 C +ATOM 1456 O ASP A 218 -4.448 5.366 -16.877 1.00 72.34 O +ATOM 1457 CB ASP A 218 -2.501 7.808 -17.136 1.00 72.48 C +ATOM 1458 CG ASP A 218 -1.193 8.595 -17.014 1.00 69.21 C +ATOM 1459 OD1 ASP A 218 -0.644 8.670 -15.901 1.00 66.43 O +ATOM 1460 OD2 ASP A 218 -0.809 9.161 -18.071 1.00 63.36 O +ATOM 1461 N GLY A 219 -5.227 6.991 -15.534 1.00 81.45 N +ATOM 1462 CA GLY A 219 -6.624 6.688 -15.757 1.00 80.94 C +ATOM 1463 C GLY A 219 -7.019 6.859 -17.231 1.00 81.57 C +ATOM 1464 O GLY A 219 -6.513 7.728 -17.944 1.00 80.39 O +ATOM 1465 N LEU A 220 -7.935 6.019 -17.695 1.00 72.20 N +ATOM 1466 CA LEU A 220 -8.481 6.155 -19.040 1.00 75.18 C +ATOM 1467 C LEU A 220 -9.295 7.456 -19.150 1.00 74.93 C +ATOM 1468 O LEU A 220 -9.940 7.847 -18.171 1.00 74.65 O +ATOM 1469 CB LEU A 220 -9.346 4.931 -19.396 1.00 73.33 C +ATOM 1470 CG LEU A 220 -8.563 3.612 -19.503 1.00 68.54 C +ATOM 1471 CD1 LEU A 220 -9.534 2.462 -19.756 1.00 65.12 C +ATOM 1472 CD2 LEU A 220 -7.538 3.621 -20.644 1.00 63.54 C +ATOM 1473 N PRO A 221 -9.309 8.100 -20.332 1.00 76.04 N +ATOM 1474 CA PRO A 221 -10.187 9.244 -20.572 1.00 77.33 C +ATOM 1475 C PRO A 221 -11.642 8.904 -20.227 1.00 76.15 C +ATOM 1476 O PRO A 221 -12.120 7.808 -20.529 1.00 73.83 O +ATOM 1477 CB PRO A 221 -10.023 9.605 -22.046 1.00 75.78 C +ATOM 1478 CG PRO A 221 -8.630 9.069 -22.394 1.00 73.27 C +ATOM 1479 CD PRO A 221 -8.501 7.829 -21.515 1.00 74.33 C +ATOM 1480 N GLY A 222 -12.339 9.863 -19.634 1.00 79.84 N +ATOM 1481 CA GLY A 222 -13.777 9.759 -19.451 1.00 79.04 C +ATOM 1482 C GLY A 222 -14.493 9.570 -20.789 1.00 78.88 C +ATOM 1483 O GLY A 222 -14.044 10.063 -21.827 1.00 78.02 O +ATOM 1484 N LYS A 223 -15.591 8.827 -20.781 1.00 77.05 N +ATOM 1485 CA LYS A 223 -16.437 8.676 -21.972 1.00 78.44 C +ATOM 1486 C LYS A 223 -17.124 10.007 -22.274 1.00 79.36 C +ATOM 1487 O LYS A 223 -17.515 10.708 -21.350 1.00 78.66 O +ATOM 1488 CB LYS A 223 -17.471 7.558 -21.782 1.00 74.58 C +ATOM 1489 CG LYS A 223 -16.808 6.180 -21.648 1.00 69.34 C +ATOM 1490 CD LYS A 223 -17.863 5.079 -21.506 1.00 65.59 C +ATOM 1491 CE LYS A 223 -17.176 3.724 -21.340 1.00 60.99 C +ATOM 1492 NZ LYS A 223 -18.156 2.629 -21.164 1.00 54.75 N +ATOM 1493 N ASP A 224 -17.274 10.287 -23.554 1.00 75.03 N +ATOM 1494 CA ASP A 224 -18.034 11.455 -23.988 1.00 75.77 C +ATOM 1495 C ASP A 224 -19.453 11.416 -23.401 1.00 74.61 C +ATOM 1496 O ASP A 224 -20.051 10.349 -23.211 1.00 70.59 O +ATOM 1497 CB ASP A 224 -18.042 11.541 -25.521 1.00 72.74 C +ATOM 1498 CG ASP A 224 -16.631 11.641 -26.142 1.00 69.05 C +ATOM 1499 OD1 ASP A 224 -15.679 12.065 -25.446 1.00 65.96 O +ATOM 1500 OD2 ASP A 224 -16.488 11.238 -27.313 1.00 63.40 O +ATOM 1501 N GLY A 225 -19.974 12.596 -23.082 1.00 80.52 N +ATOM 1502 CA GLY A 225 -21.364 12.731 -22.659 1.00 79.25 C +ATOM 1503 C GLY A 225 -22.311 12.182 -23.727 1.00 79.13 C +ATOM 1504 O GLY A 225 -22.060 12.301 -24.914 1.00 77.70 O +ATOM 1505 N LYS A 226 -23.394 11.550 -23.294 1.00 76.37 N +ATOM 1506 CA LYS A 226 -24.424 11.082 -24.235 1.00 77.90 C +ATOM 1507 C LYS A 226 -25.106 12.289 -24.873 1.00 78.56 C +ATOM 1508 O LYS A 226 -25.412 13.259 -24.180 1.00 77.56 O +ATOM 1509 CB LYS A 226 -25.455 10.199 -23.540 1.00 73.68 C +ATOM 1510 CG LYS A 226 -24.865 8.863 -23.058 1.00 67.50 C +ATOM 1511 CD LYS A 226 -25.963 8.011 -22.420 1.00 64.21 C +ATOM 1512 CE LYS A 226 -25.379 6.691 -21.902 1.00 59.65 C +ATOM 1513 NZ LYS A 226 -26.420 5.867 -21.237 1.00 53.86 N +ATOM 1514 N ASP A 227 -25.384 12.164 -26.164 1.00 73.84 N +ATOM 1515 CA ASP A 227 -26.184 13.169 -26.864 1.00 75.08 C +ATOM 1516 C ASP A 227 -27.516 13.391 -26.147 1.00 73.54 C +ATOM 1517 O ASP A 227 -28.139 12.461 -25.616 1.00 69.30 O +ATOM 1518 CB ASP A 227 -26.438 12.733 -28.314 1.00 72.38 C +ATOM 1519 CG ASP A 227 -25.160 12.567 -29.142 1.00 68.67 C +ATOM 1520 OD1 ASP A 227 -24.143 13.177 -28.768 1.00 65.54 O +ATOM 1521 OD2 ASP A 227 -25.225 11.812 -30.136 1.00 62.84 O +ATOM 1522 N GLY A 228 -27.953 14.639 -26.141 1.00 77.86 N +ATOM 1523 CA GLY A 228 -29.282 14.975 -25.663 1.00 76.62 C +ATOM 1524 C GLY A 228 -30.346 14.176 -26.421 1.00 76.44 C +ATOM 1525 O GLY A 228 -30.291 14.026 -27.632 1.00 74.32 O +ATOM 1526 N GLN A 229 -31.302 13.626 -25.684 1.00 73.70 N +ATOM 1527 CA GLN A 229 -32.378 12.888 -26.340 1.00 74.92 C +ATOM 1528 C GLN A 229 -33.193 13.833 -27.226 1.00 74.34 C +ATOM 1529 O GLN A 229 -33.548 14.920 -26.766 1.00 72.83 O +ATOM 1530 CB GLN A 229 -33.293 12.182 -25.320 1.00 72.49 C +ATOM 1531 CG GLN A 229 -32.573 11.015 -24.630 1.00 68.13 C +ATOM 1532 CD GLN A 229 -33.499 10.176 -23.739 1.00 63.05 C +ATOM 1533 OE1 GLN A 229 -34.672 10.435 -23.541 1.00 61.39 O +ATOM 1534 NE2 GLN A 229 -32.989 9.115 -23.156 1.00 57.63 N +ATOM 1535 N PRO A 230 -33.512 13.425 -28.460 1.00 73.61 N +ATOM 1536 CA PRO A 230 -34.405 14.207 -29.310 1.00 74.75 C +ATOM 1537 C PRO A 230 -35.719 14.483 -28.585 1.00 73.01 C +ATOM 1538 O PRO A 230 -36.290 13.596 -27.946 1.00 69.75 O +ATOM 1539 CB PRO A 230 -34.621 13.378 -30.575 1.00 73.55 C +ATOM 1540 CG PRO A 230 -33.380 12.491 -30.635 1.00 70.60 C +ATOM 1541 CD PRO A 230 -33.044 12.238 -29.170 1.00 72.38 C +ATOM 1542 N GLY A 231 -36.214 15.691 -28.735 1.00 74.51 N +ATOM 1543 CA GLY A 231 -37.548 16.022 -28.252 1.00 73.54 C +ATOM 1544 C GLY A 231 -38.588 15.048 -28.819 1.00 72.75 C +ATOM 1545 O GLY A 231 -38.542 14.669 -29.988 1.00 70.14 O +ATOM 1546 N LYS A 232 -39.510 14.612 -27.967 1.00 70.88 N +ATOM 1547 CA LYS A 232 -40.547 13.667 -28.403 1.00 74.42 C +ATOM 1548 C LYS A 232 -41.377 14.293 -29.525 1.00 73.14 C +ATOM 1549 O LYS A 232 -41.772 15.449 -29.397 1.00 71.67 O +ATOM 1550 CB LYS A 232 -41.451 13.248 -27.231 1.00 70.96 C +ATOM 1551 CG LYS A 232 -40.705 12.374 -26.210 1.00 66.15 C +ATOM 1552 CD LYS A 232 -41.636 11.933 -25.066 1.00 63.49 C +ATOM 1553 CE LYS A 232 -40.849 11.107 -24.044 1.00 59.16 C +ATOM 1554 NZ LYS A 232 -41.682 10.747 -22.866 1.00 53.67 N +ATOM 1555 N PRO A 233 -41.649 13.556 -30.613 1.00 70.69 N +ATOM 1556 CA PRO A 233 -42.552 14.040 -31.646 1.00 72.59 C +ATOM 1557 C PRO A 233 -43.893 14.418 -31.017 1.00 69.41 C +ATOM 1558 O PRO A 233 -44.420 13.661 -30.192 1.00 64.84 O +ATOM 1559 CB PRO A 233 -42.713 12.901 -32.653 1.00 71.47 C +ATOM 1560 CG PRO A 233 -41.491 12.028 -32.417 1.00 68.80 C +ATOM 1561 CD PRO A 233 -41.188 12.218 -30.934 1.00 70.58 C +ATOM 1562 N GLY A 234 -44.413 15.538 -31.408 1.00 65.02 N +ATOM 1563 CA GLY A 234 -45.786 15.853 -31.032 1.00 64.74 C +ATOM 1564 C GLY A 234 -46.727 14.767 -31.576 1.00 62.15 C +ATOM 1565 O GLY A 234 -46.547 14.285 -32.692 1.00 58.50 O +ATOM 1566 N LYS A 235 -47.691 14.322 -30.776 1.00 66.26 N +ATOM 1567 CA LYS A 235 -48.683 13.331 -31.212 1.00 71.09 C +ATOM 1568 C LYS A 235 -49.632 13.976 -32.227 1.00 66.11 C +ATOM 1569 O LYS A 235 -49.973 15.140 -32.041 1.00 62.03 O +ATOM 1570 CB LYS A 235 -49.460 12.770 -30.012 1.00 67.67 C +ATOM 1571 CG LYS A 235 -48.582 11.929 -29.062 1.00 60.85 C +ATOM 1572 CD LYS A 235 -49.429 11.365 -27.913 1.00 57.90 C +ATOM 1573 CE LYS A 235 -48.595 10.511 -26.950 1.00 54.97 C +ATOM 1574 NZ LYS A 235 -49.418 10.000 -25.841 1.00 49.38 N +ATOM 1575 N TYR A 236 -49.978 13.282 -33.314 1.00 68.78 N +ATOM 1576 CA TYR A 236 -51.055 13.685 -34.224 1.00 69.54 C +ATOM 1577 C TYR A 236 -52.397 13.231 -33.676 1.00 60.10 C +ATOM 1578 O TYR A 236 -52.443 12.100 -33.141 1.00 54.86 O +ATOM 1579 CB TYR A 236 -50.824 13.155 -35.646 1.00 64.62 C +ATOM 1580 CG TYR A 236 -49.711 13.887 -36.375 1.00 58.75 C +ATOM 1581 CD1 TYR A 236 -49.978 15.084 -37.056 1.00 55.21 C +ATOM 1582 CD2 TYR A 236 -48.401 13.371 -36.379 1.00 54.89 C +ATOM 1583 CE1 TYR A 236 -48.940 15.787 -37.700 1.00 50.19 C +ATOM 1584 CE2 TYR A 236 -47.360 14.068 -37.014 1.00 58.62 C +ATOM 1585 CZ TYR A 236 -47.636 15.282 -37.669 1.00 52.52 C +ATOM 1586 OH TYR A 236 -46.634 15.968 -38.245 1.00 53.32 O +ATOM 1587 OXT TYR A 236 -53.325 14.043 -33.838 1.00 52.69 O +TER 1588 TYR A 236 +END diff --git a/protein_pdb_622.txt b/protein_pdb_622.txt new file mode 100644 index 0000000000000000000000000000000000000000..1f03da375dae45dcb6958e9ef538aa20fbedc46a --- /dev/null +++ b/protein_pdb_622.txt @@ -0,0 +1,111 @@ +ATOM 1 N GLY A 1 -20.061 9.707 -13.526 1.00 77.00 N +ATOM 2 CA GLY A 1 -18.779 10.404 -13.387 1.00 80.43 C +ATOM 3 C GLY A 1 -17.620 9.543 -13.856 1.00 81.31 C +ATOM 4 O GLY A 1 -17.813 8.357 -14.167 1.00 79.99 O +ATOM 5 N PRO A 2 -16.426 10.101 -13.922 1.00 77.37 N +ATOM 6 CA PRO A 2 -15.247 9.340 -14.351 1.00 84.35 C +ATOM 7 C PRO A 2 -14.786 8.349 -13.283 1.00 85.91 C +ATOM 8 O PRO A 2 -15.156 8.471 -12.112 1.00 84.12 O +ATOM 9 CB PRO A 2 -14.193 10.426 -14.590 1.00 83.70 C +ATOM 10 CG PRO A 2 -14.554 11.462 -13.573 1.00 81.42 C +ATOM 11 CD PRO A 2 -16.076 11.497 -13.617 1.00 80.42 C +ATOM 12 N PRO A 3 -13.989 7.353 -13.681 1.00 87.26 N +ATOM 13 CA PRO A 3 -13.431 6.414 -12.694 1.00 90.95 C +ATOM 14 C PRO A 3 -12.539 7.189 -11.718 1.00 91.39 C +ATOM 15 O PRO A 3 -11.976 8.234 -12.057 1.00 88.67 O +ATOM 16 CB PRO A 3 -12.594 5.446 -13.539 1.00 88.71 C +ATOM 17 CG PRO A 3 -13.235 5.495 -14.888 1.00 84.79 C +ATOM 18 CD PRO A 3 -13.619 6.947 -15.057 1.00 85.97 C +ATOM 19 N GLY A 4 -12.411 6.657 -10.514 1.00 84.97 N +ATOM 20 CA GLY A 4 -11.520 7.274 -9.541 1.00 86.49 C +ATOM 21 C GLY A 4 -10.065 6.988 -9.879 1.00 86.97 C +ATOM 22 O GLY A 4 -9.770 6.212 -10.794 1.00 86.31 O +ATOM 23 N PRO A 5 -9.130 7.603 -9.141 1.00 86.16 N +ATOM 24 CA PRO A 5 -7.706 7.377 -9.387 1.00 88.56 C +ATOM 25 C PRO A 5 -7.262 6.000 -8.902 1.00 89.02 C +ATOM 26 O PRO A 5 -7.972 5.345 -8.134 1.00 87.54 O +ATOM 27 CB PRO A 5 -7.025 8.494 -8.583 1.00 87.97 C +ATOM 28 CG PRO A 5 -7.955 8.664 -7.416 1.00 87.46 C +ATOM 29 CD PRO A 5 -9.345 8.555 -8.042 1.00 87.21 C +ATOM 30 N PRO A 6 -6.082 5.553 -9.348 1.00 90.75 N +ATOM 31 CA PRO A 6 -5.539 4.287 -8.850 1.00 93.65 C +ATOM 32 C PRO A 6 -5.308 4.399 -7.339 1.00 93.26 C +ATOM 33 O PRO A 6 -5.094 5.492 -6.810 1.00 90.44 O +ATOM 34 CB PRO A 6 -4.204 4.135 -9.591 1.00 92.07 C +ATOM 35 CG PRO A 6 -4.405 4.918 -10.855 1.00 89.14 C +ATOM 36 CD PRO A 6 -5.213 6.113 -10.412 1.00 88.82 C +ATOM 37 N GLY A 7 -5.352 3.271 -6.667 1.00 91.29 N +ATOM 38 CA GLY A 7 -5.063 3.264 -5.233 1.00 92.06 C +ATOM 39 C GLY A 7 -3.570 3.436 -4.986 1.00 91.98 C +ATOM 40 O GLY A 7 -2.762 3.423 -5.917 1.00 90.54 O +ATOM 41 N PRO A 8 -3.172 3.597 -3.721 1.00 91.15 N +ATOM 42 CA PRO A 8 -1.750 3.753 -3.385 1.00 92.57 C +ATOM 43 C PRO A 8 -0.998 2.435 -3.520 1.00 92.52 C +ATOM 44 O PRO A 8 -1.611 1.364 -3.583 1.00 90.49 O +ATOM 45 CB PRO A 8 -1.790 4.225 -1.922 1.00 91.77 C +ATOM 46 CG PRO A 8 -3.016 3.531 -1.388 1.00 91.21 C +ATOM 47 CD PRO A 8 -4.018 3.650 -2.525 1.00 91.80 C +ATOM 48 N PRO A 9 0.343 2.508 -3.564 1.00 92.05 N +ATOM 49 CA PRO A 9 1.144 1.277 -3.590 1.00 93.66 C +ATOM 50 C PRO A 9 0.900 0.488 -2.304 1.00 93.26 C +ATOM 51 O PRO A 9 0.575 1.061 -1.261 1.00 89.87 O +ATOM 52 CB PRO A 9 2.593 1.781 -3.650 1.00 91.85 C +ATOM 53 CG PRO A 9 2.477 3.131 -4.290 1.00 89.72 C +ATOM 54 CD PRO A 9 1.203 3.694 -3.706 1.00 90.64 C +ATOM 55 N GLY A 10 1.056 -0.823 -2.388 1.00 90.48 N +ATOM 56 CA GLY A 10 0.928 -1.652 -1.205 1.00 91.29 C +ATOM 57 C GLY A 10 2.145 -1.494 -0.296 1.00 91.67 C +ATOM 58 O GLY A 10 3.137 -0.861 -0.668 1.00 89.50 O +ATOM 59 N PRO A 11 2.095 -2.071 0.908 1.00 87.78 N +ATOM 60 CA PRO A 11 3.224 -1.977 1.840 1.00 89.47 C +ATOM 61 C PRO A 11 4.399 -2.845 1.388 1.00 89.20 C +ATOM 62 O PRO A 11 4.234 -3.732 0.548 1.00 85.40 O +ATOM 63 CB PRO A 11 2.627 -2.491 3.159 1.00 87.85 C +ATOM 64 CG PRO A 11 1.616 -3.506 2.689 1.00 85.96 C +ATOM 65 CD PRO A 11 0.986 -2.836 1.473 1.00 86.66 C +ATOM 66 N PRO A 12 5.594 -2.589 1.950 1.00 85.05 N +ATOM 67 CA PRO A 12 6.750 -3.434 1.630 1.00 87.56 C +ATOM 68 C PRO A 12 6.472 -4.867 2.068 1.00 86.25 C +ATOM 69 O PRO A 12 5.729 -5.106 3.029 1.00 82.17 O +ATOM 70 CB PRO A 12 7.891 -2.821 2.455 1.00 85.60 C +ATOM 71 CG PRO A 12 7.488 -1.391 2.620 1.00 81.16 C +ATOM 72 CD PRO A 12 5.991 -1.462 2.816 1.00 80.03 C +ATOM 73 N GLY A 13 7.065 -5.815 1.371 1.00 85.45 N +ATOM 74 CA GLY A 13 6.926 -7.214 1.754 1.00 86.39 C +ATOM 75 C GLY A 13 7.749 -7.507 3.002 1.00 86.05 C +ATOM 76 O GLY A 13 8.556 -6.682 3.440 1.00 83.45 O +ATOM 77 N PRO A 14 7.558 -8.684 3.605 1.00 83.15 N +ATOM 78 CA PRO A 14 8.318 -9.049 4.808 1.00 84.29 C +ATOM 79 C PRO A 14 9.777 -9.360 4.478 1.00 83.54 C +ATOM 80 O PRO A 14 10.118 -9.615 3.326 1.00 79.99 O +ATOM 81 CB PRO A 14 7.586 -10.297 5.322 1.00 82.50 C +ATOM 82 CG PRO A 14 7.100 -10.934 4.046 1.00 79.53 C +ATOM 83 CD PRO A 14 6.635 -9.752 3.207 1.00 78.69 C +ATOM 84 N PRO A 15 10.656 -9.331 5.493 1.00 82.49 N +ATOM 85 CA PRO A 15 12.056 -9.707 5.278 1.00 84.05 C +ATOM 86 C PRO A 15 12.122 -11.143 4.797 1.00 83.09 C +ATOM 87 O PRO A 15 11.264 -11.963 5.132 1.00 78.52 O +ATOM 88 CB PRO A 15 12.699 -9.546 6.663 1.00 82.08 C +ATOM 89 CG PRO A 15 11.837 -8.525 7.340 1.00 79.25 C +ATOM 90 CD PRO A 15 10.438 -8.868 6.876 1.00 79.56 C +ATOM 91 N GLY A 16 13.142 -11.446 4.025 1.00 83.27 N +ATOM 92 CA GLY A 16 13.335 -12.808 3.561 1.00 83.55 C +ATOM 93 C GLY A 16 13.818 -13.708 4.688 1.00 83.16 C +ATOM 94 O GLY A 16 14.152 -13.232 5.775 1.00 81.37 O +ATOM 95 N PRO A 17 13.876 -15.018 4.440 1.00 83.45 N +ATOM 96 CA PRO A 17 14.332 -15.957 5.470 1.00 84.79 C +ATOM 97 C PRO A 17 15.820 -15.792 5.758 1.00 83.80 C +ATOM 98 O PRO A 17 16.562 -15.232 4.948 1.00 79.98 O +ATOM 99 CB PRO A 17 14.018 -17.331 4.861 1.00 81.78 C +ATOM 100 CG PRO A 17 14.157 -17.084 3.388 1.00 77.82 C +ATOM 101 CD PRO A 17 13.545 -15.705 3.197 1.00 77.62 C +ATOM 102 N PRO A 18 16.274 -16.262 6.940 1.00 88.06 N +ATOM 103 CA PRO A 18 17.699 -16.158 7.279 1.00 87.44 C +ATOM 104 C PRO A 18 18.551 -17.097 6.420 1.00 83.67 C +ATOM 105 O PRO A 18 18.023 -18.007 5.777 1.00 80.65 O +ATOM 106 CB PRO A 18 17.737 -16.551 8.770 1.00 82.57 C +ATOM 107 CG PRO A 18 16.578 -17.488 8.906 1.00 82.68 C +ATOM 108 CD PRO A 18 15.503 -16.858 8.046 1.00 83.95 C +ATOM 109 OXT PRO A 18 19.779 -16.915 6.376 1.00 76.99 O +TER 110 PRO A 18 +END diff --git a/protein_pdb_623.txt b/protein_pdb_623.txt new file mode 100644 index 0000000000000000000000000000000000000000..b4327100981385797987f38aae73cc779ca3e9aa --- /dev/null +++ b/protein_pdb_623.txt @@ -0,0 +1,182 @@ +ATOM 1 N GLY A 1 12.549 21.588 -38.481 1.00 91.11 N +ATOM 2 CA GLY A 1 11.256 20.930 -38.644 1.00 92.73 C +ATOM 3 C GLY A 1 10.392 21.068 -37.406 1.00 93.51 C +ATOM 4 O GLY A 1 10.892 21.470 -36.356 1.00 91.57 O +ATOM 5 N PRO A 2 9.107 20.743 -37.495 1.00 96.47 N +ATOM 6 CA PRO A 2 8.225 20.854 -36.334 1.00 96.73 C +ATOM 7 C PRO A 2 8.578 19.827 -35.259 1.00 97.29 C +ATOM 8 O PRO A 2 9.166 18.781 -35.538 1.00 96.07 O +ATOM 9 CB PRO A 2 6.829 20.603 -36.924 1.00 94.56 C +ATOM 10 CG PRO A 2 7.102 19.717 -38.090 1.00 91.63 C +ATOM 11 CD PRO A 2 8.391 20.254 -38.677 1.00 93.82 C +ATOM 12 N ALA A 3 8.187 20.134 -34.019 1.00 96.37 N +ATOM 13 CA ALA A 3 8.443 19.218 -32.911 1.00 96.70 C +ATOM 14 C ALA A 3 7.632 17.942 -33.082 1.00 96.85 C +ATOM 15 O ALA A 3 6.527 17.952 -33.631 1.00 94.80 O +ATOM 16 CB ALA A 3 8.088 19.894 -31.588 1.00 94.88 C +ATOM 17 N GLY A 4 8.183 16.834 -32.611 1.00 97.77 N +ATOM 18 CA GLY A 4 7.492 15.562 -32.711 1.00 97.58 C +ATOM 19 C GLY A 4 6.314 15.469 -31.748 1.00 98.03 C +ATOM 20 O GLY A 4 6.151 16.325 -30.875 1.00 98.04 O +ATOM 21 N PRO A 5 5.496 14.434 -31.893 1.00 97.85 N +ATOM 22 CA PRO A 5 4.336 14.271 -31.015 1.00 97.84 C +ATOM 23 C PRO A 5 4.751 13.880 -29.602 1.00 98.18 C +ATOM 24 O PRO A 5 5.856 13.374 -29.374 1.00 97.90 O +ATOM 25 CB PRO A 5 3.525 13.157 -31.692 1.00 96.88 C +ATOM 26 CG PRO A 5 4.576 12.335 -32.361 1.00 95.16 C +ATOM 27 CD PRO A 5 5.573 13.350 -32.883 1.00 97.07 C +ATOM 28 N ALA A 6 3.840 14.107 -28.655 1.00 97.49 N +ATOM 29 CA ALA A 6 4.104 13.740 -27.274 1.00 97.40 C +ATOM 30 C ALA A 6 4.167 12.219 -27.141 1.00 97.75 C +ATOM 31 O ALA A 6 3.525 11.488 -27.902 1.00 96.72 O +ATOM 32 CB ALA A 6 3.008 14.305 -26.365 1.00 96.01 C +ATOM 33 N GLY A 7 4.949 11.750 -26.182 1.00 98.08 N +ATOM 34 CA GLY A 7 5.077 10.317 -25.970 1.00 97.99 C +ATOM 35 C GLY A 7 3.819 9.710 -25.367 1.00 98.24 C +ATOM 36 O GLY A 7 2.907 10.427 -24.955 1.00 98.30 O +ATOM 37 N PRO A 8 3.770 8.381 -25.289 1.00 98.37 N +ATOM 38 CA PRO A 8 2.597 7.706 -24.738 1.00 98.32 C +ATOM 39 C PRO A 8 2.489 7.905 -23.226 1.00 98.51 C +ATOM 40 O PRO A 8 3.461 8.251 -22.554 1.00 98.25 O +ATOM 41 CB PRO A 8 2.825 6.237 -25.092 1.00 97.70 C +ATOM 42 CG PRO A 8 4.312 6.121 -25.103 1.00 96.13 C +ATOM 43 CD PRO A 8 4.786 7.418 -25.724 1.00 97.73 C +ATOM 44 N VAL A 9 1.274 7.673 -22.707 1.00 98.24 N +ATOM 45 CA VAL A 9 1.035 7.776 -21.271 1.00 98.12 C +ATOM 46 C VAL A 9 1.808 6.657 -20.574 1.00 98.23 C +ATOM 47 O VAL A 9 1.857 5.525 -21.063 1.00 97.84 O +ATOM 48 CB VAL A 9 -0.471 7.674 -20.955 1.00 97.44 C +ATOM 49 CG1 VAL A 9 -0.712 7.726 -19.453 1.00 92.11 C +ATOM 50 CG2 VAL A 9 -1.229 8.808 -21.643 1.00 92.14 C +ATOM 51 N GLY A 10 2.415 6.975 -19.434 1.00 98.16 N +ATOM 52 CA GLY A 10 3.181 5.989 -18.699 1.00 98.11 C +ATOM 53 C GLY A 10 2.308 4.908 -18.074 1.00 98.33 C +ATOM 54 O GLY A 10 1.085 5.019 -18.039 1.00 98.34 O +ATOM 55 N PRO A 11 2.940 3.852 -17.548 1.00 98.49 N +ATOM 56 CA PRO A 11 2.186 2.755 -16.933 1.00 98.34 C +ATOM 57 C PRO A 11 1.548 3.185 -15.621 1.00 98.48 C +ATOM 58 O PRO A 11 1.949 4.170 -14.996 1.00 98.18 O +ATOM 59 CB PRO A 11 3.252 1.676 -16.716 1.00 97.73 C +ATOM 60 CG PRO A 11 4.509 2.465 -16.520 1.00 96.51 C +ATOM 61 CD PRO A 11 4.384 3.612 -17.503 1.00 97.86 C +ATOM 62 N ALA A 12 0.541 2.416 -15.194 1.00 98.26 N +ATOM 63 CA ALA A 12 -0.136 2.694 -13.939 1.00 98.12 C +ATOM 64 C ALA A 12 0.827 2.490 -12.775 1.00 98.26 C +ATOM 65 O ALA A 12 1.762 1.685 -12.856 1.00 97.05 O +ATOM 66 CB ALA A 12 -1.356 1.792 -13.779 1.00 97.20 C +ATOM 67 N GLY A 13 0.595 3.220 -11.686 1.00 97.97 N +ATOM 68 CA GLY A 13 1.445 3.096 -10.520 1.00 97.82 C +ATOM 69 C GLY A 13 1.305 1.747 -9.841 1.00 98.09 C +ATOM 70 O GLY A 13 0.314 1.035 -10.032 1.00 97.85 O +ATOM 71 N ALA A 14 2.309 1.389 -9.055 1.00 98.32 N +ATOM 72 CA ALA A 14 2.302 0.124 -8.337 1.00 98.34 C +ATOM 73 C ALA A 14 1.255 0.131 -7.228 1.00 98.36 C +ATOM 74 O ALA A 14 0.885 1.183 -6.697 1.00 97.53 O +ATOM 75 CB ALA A 14 3.684 -0.150 -7.745 1.00 97.55 C +ATOM 76 N ARG A 15 0.788 -1.055 -6.852 1.00 98.27 N +ATOM 77 CA ARG A 15 -0.185 -1.187 -5.773 1.00 98.06 C +ATOM 78 C ARG A 15 0.474 -0.761 -4.464 1.00 98.04 C +ATOM 79 O ARG A 15 1.656 -1.018 -4.236 1.00 97.10 O +ATOM 80 CB ARG A 15 -0.677 -2.634 -5.686 1.00 96.96 C +ATOM 81 CG ARG A 15 -1.734 -2.857 -4.615 1.00 93.28 C +ATOM 82 CD ARG A 15 -2.179 -4.299 -4.576 1.00 89.85 C +ATOM 83 NE ARG A 15 -3.205 -4.530 -3.560 1.00 84.31 N +ATOM 84 CZ ARG A 15 -3.752 -5.700 -3.303 1.00 80.93 C +ATOM 85 NH1 ARG A 15 -3.388 -6.781 -3.982 1.00 77.57 N +ATOM 86 NH2 ARG A 15 -4.670 -5.807 -2.368 1.00 76.00 N +ATOM 87 N GLY A 16 -0.310 -0.115 -3.615 1.00 98.03 N +ATOM 88 CA GLY A 16 0.212 0.334 -2.337 1.00 97.70 C +ATOM 89 C GLY A 16 0.601 -0.824 -1.431 1.00 97.93 C +ATOM 90 O GLY A 16 0.177 -1.961 -1.645 1.00 97.74 O +ATOM 91 N PRO A 17 1.408 -0.553 -0.399 1.00 98.19 N +ATOM 92 CA PRO A 17 1.846 -1.602 0.517 1.00 98.04 C +ATOM 93 C PRO A 17 0.721 -2.087 1.420 1.00 98.28 C +ATOM 94 O PRO A 17 -0.290 -1.404 1.602 1.00 97.79 O +ATOM 95 CB PRO A 17 2.962 -0.930 1.323 1.00 96.99 C +ATOM 96 CG PRO A 17 2.540 0.499 1.346 1.00 95.53 C +ATOM 97 CD PRO A 17 1.983 0.753 -0.036 1.00 97.21 C +ATOM 98 N ALA A 18 0.911 -3.268 1.983 1.00 97.89 N +ATOM 99 CA ALA A 18 -0.063 -3.820 2.913 1.00 97.74 C +ATOM 100 C ALA A 18 -0.098 -2.968 4.178 1.00 98.07 C +ATOM 101 O ALA A 18 0.898 -2.330 4.532 1.00 96.99 O +ATOM 102 CB ALA A 18 0.293 -5.263 3.262 1.00 96.42 C +ATOM 103 N GLY A 19 -1.243 -2.970 4.858 1.00 98.19 N +ATOM 104 CA GLY A 19 -1.386 -2.196 6.074 1.00 98.07 C +ATOM 105 C GLY A 19 -0.534 -2.751 7.204 1.00 98.33 C +ATOM 106 O GLY A 19 -0.025 -3.872 7.113 1.00 98.18 O +ATOM 107 N PRO A 20 -0.389 -1.980 8.287 1.00 97.81 N +ATOM 108 CA PRO A 20 0.426 -2.411 9.420 1.00 97.89 C +ATOM 109 C PRO A 20 -0.234 -3.541 10.201 1.00 98.13 C +ATOM 110 O PRO A 20 -1.438 -3.752 10.109 1.00 97.83 O +ATOM 111 CB PRO A 20 0.549 -1.150 10.263 1.00 96.92 C +ATOM 112 CG PRO A 20 -0.713 -0.409 9.964 1.00 95.28 C +ATOM 113 CD PRO A 20 -0.943 -0.646 8.492 1.00 96.97 C +HETATM 114 N HYP A 21 0.546 -4.249 11.012 1.00 98.19 N +HETATM 115 CA HYP A 21 0.067 -5.288 11.860 1.00 97.97 C +HETATM 116 C HYP A 21 -0.910 -4.736 12.893 1.00 98.28 C +HETATM 117 O HYP A 21 -0.806 -3.565 13.272 1.00 97.69 O +HETATM 118 CB HYP A 21 1.346 -5.775 12.560 1.00 97.27 C +HETATM 119 CG HYP A 21 2.442 -5.444 11.595 1.00 96.00 C +HETATM 120 CD HYP A 21 1.991 -4.163 11.020 1.00 97.04 C +HETATM 121 OD1 HYP A 21 2.572 -6.414 10.596 1.00 96.31 O +ATOM 122 N GLY A 22 -1.845 -5.547 13.306 1.00 98.11 N +ATOM 123 CA GLY A 22 -2.793 -5.123 14.299 1.00 98.09 C +ATOM 124 C GLY A 22 -2.113 -4.894 15.636 1.00 98.22 C +ATOM 125 O GLY A 22 -0.940 -5.241 15.821 1.00 98.01 O +ATOM 126 N PRO A 23 -2.840 -4.317 16.600 1.00 97.31 N +ATOM 127 CA PRO A 23 -2.262 -4.034 17.914 1.00 97.17 C +ATOM 128 C PRO A 23 -1.967 -5.317 18.685 1.00 97.40 C +ATOM 129 O PRO A 23 -2.565 -6.359 18.444 1.00 96.72 O +ATOM 130 CB PRO A 23 -3.337 -3.198 18.600 1.00 95.87 C +ATOM 131 CG PRO A 23 -4.596 -3.657 17.945 1.00 94.04 C +ATOM 132 CD PRO A 23 -4.219 -3.872 16.503 1.00 96.21 C +HETATM 133 N HYP A 24 -1.059 -5.234 19.664 1.00 97.15 N +HETATM 134 CA HYP A 24 -0.704 -6.356 20.483 1.00 96.89 C +HETATM 135 C HYP A 24 -1.901 -6.817 21.347 1.00 97.32 C +HETATM 136 O HYP A 24 -2.756 -5.994 21.667 1.00 96.87 O +HETATM 137 CB HYP A 24 0.367 -5.718 21.447 1.00 94.92 C +HETATM 138 CG HYP A 24 0.943 -4.546 20.716 1.00 93.60 C +HETATM 139 CD HYP A 24 -0.237 -4.044 19.907 1.00 95.11 C +HETATM 140 OD1 HYP A 24 1.949 -4.962 19.822 1.00 93.37 O +ATOM 141 N ALA A 25 -1.912 -8.120 21.626 1.00 95.66 N +ATOM 142 CA ALA A 25 -2.977 -8.664 22.440 1.00 95.65 C +ATOM 143 C ALA A 25 -2.835 -8.146 23.871 1.00 96.19 C +ATOM 144 O ALA A 25 -1.715 -7.863 24.321 1.00 94.79 O +ATOM 145 CB ALA A 25 -2.921 -10.185 22.431 1.00 93.54 C +ATOM 146 N PRO A 26 -3.937 -8.046 24.614 1.00 94.83 N +ATOM 147 CA PRO A 26 -3.871 -7.577 25.995 1.00 94.17 C +ATOM 148 C PRO A 26 -3.072 -8.526 26.872 1.00 94.22 C +ATOM 149 O PRO A 26 -2.973 -9.713 26.574 1.00 92.71 O +ATOM 150 CB PRO A 26 -5.339 -7.527 26.424 1.00 91.53 C +ATOM 151 CG PRO A 26 -6.086 -7.389 25.144 1.00 89.88 C +ATOM 152 CD PRO A 26 -5.314 -8.225 24.170 1.00 92.89 C +HETATM 153 N HYP A 27 -2.501 -8.035 28.005 1.00 95.59 N +HETATM 154 CA HYP A 27 -1.807 -8.895 28.913 1.00 93.57 C +HETATM 155 C HYP A 27 -2.707 -9.933 29.570 1.00 95.69 C +HETATM 156 O HYP A 27 -3.887 -9.709 29.688 1.00 94.40 O +HETATM 157 CB HYP A 27 -1.392 -7.884 30.084 1.00 92.19 C +HETATM 158 CG HYP A 27 -1.378 -6.505 29.457 1.00 90.09 C +HETATM 159 CD HYP A 27 -2.455 -6.608 28.385 1.00 92.76 C +HETATM 160 OD1 HYP A 27 -0.134 -6.272 28.803 1.00 89.73 O +ATOM 161 N GLY A 28 -2.155 -11.077 29.886 1.00 90.72 N +ATOM 162 CA GLY A 28 -2.919 -12.109 30.533 1.00 90.17 C +ATOM 163 C GLY A 28 -3.298 -11.694 31.943 1.00 90.93 C +ATOM 164 O GLY A 28 -2.787 -10.700 32.464 1.00 89.30 O +ATOM 165 N PRO A 29 -4.168 -12.461 32.633 1.00 92.50 N +ATOM 166 CA PRO A 29 -4.585 -12.113 33.985 1.00 92.57 C +ATOM 167 C PRO A 29 -3.443 -12.287 34.969 1.00 91.94 C +ATOM 168 O PRO A 29 -2.525 -13.076 34.741 1.00 88.23 O +ATOM 169 CB PRO A 29 -5.733 -13.084 34.265 1.00 89.24 C +ATOM 170 CG PRO A 29 -5.409 -14.249 33.406 1.00 86.63 C +ATOM 171 CD PRO A 29 -4.837 -13.657 32.147 1.00 89.89 C +HETATM 172 N HYP A 30 -3.500 -11.575 36.115 1.00 93.89 N +HETATM 173 CA HYP A 30 -2.412 -11.800 37.040 1.00 90.61 C +HETATM 174 C HYP A 30 -2.624 -13.211 37.683 1.00 90.27 C +HETATM 175 O HYP A 30 -1.705 -13.922 37.722 1.00 89.86 O +HETATM 176 CB HYP A 30 -2.691 -10.738 38.198 1.00 87.82 C +HETATM 177 CG HYP A 30 -3.581 -9.658 37.611 1.00 86.90 C +HETATM 178 CD HYP A 30 -4.338 -10.415 36.473 1.00 90.66 C +HETATM 179 OD1 HYP A 30 -2.760 -8.698 37.024 1.00 85.11 O +HETATM 180 OXT HYP A 30 -3.780 -13.524 38.081 1.00 89.47 O +TER 181 HYP A 30 +END diff --git a/protein_pdb_624.txt b/protein_pdb_624.txt new file mode 100644 index 0000000000000000000000000000000000000000..4fe5e42156ea0e05b8ecd9aa58a4f01877a6d2eb --- /dev/null +++ b/protein_pdb_624.txt @@ -0,0 +1,203 @@ +ATOM 1 N GLY A 1 -26.472 -28.929 -26.254 1.00 93.87 N +ATOM 2 CA GLY A 1 -25.180 -29.514 -25.911 1.00 94.97 C +ATOM 3 C GLY A 1 -24.854 -29.363 -24.439 1.00 95.20 C +ATOM 4 O GLY A 1 -25.592 -28.685 -23.711 1.00 92.45 O +ATOM 5 N PHE A 2 -23.767 -29.959 -24.009 1.00 96.65 N +ATOM 6 CA PHE A 2 -23.350 -29.870 -22.615 1.00 96.84 C +ATOM 7 C PHE A 2 -22.772 -28.491 -22.327 1.00 96.95 C +ATOM 8 O PHE A 2 -22.274 -27.814 -23.217 1.00 96.25 O +ATOM 9 CB PHE A 2 -22.292 -30.932 -22.310 1.00 94.21 C +ATOM 10 CG PHE A 2 -22.831 -32.338 -22.373 1.00 86.41 C +ATOM 11 CD1 PHE A 2 -23.636 -32.823 -21.355 1.00 85.73 C +ATOM 12 CD2 PHE A 2 -22.531 -33.167 -23.443 1.00 82.90 C +ATOM 13 CE1 PHE A 2 -24.141 -34.119 -21.403 1.00 82.91 C +ATOM 14 CE2 PHE A 2 -23.030 -34.467 -23.495 1.00 82.56 C +ATOM 15 CZ PHE A 2 -23.838 -34.935 -22.473 1.00 83.06 C +HETATM 16 N HYP A 3 -22.876 -28.095 -21.142 1.00 96.73 N +HETATM 17 CA HYP A 3 -22.262 -26.838 -20.690 1.00 96.40 C +HETATM 18 C HYP A 3 -20.742 -26.758 -20.900 1.00 96.39 C +HETATM 19 O HYP A 3 -20.055 -27.802 -20.770 1.00 96.25 O +HETATM 20 CB HYP A 3 -22.556 -26.790 -19.157 1.00 95.91 C +HETATM 21 CG HYP A 3 -23.696 -27.704 -18.972 1.00 95.71 C +HETATM 22 CD HYP A 3 -23.536 -28.777 -20.051 1.00 95.67 C +HETATM 23 OD1 HYP A 3 -24.927 -27.084 -19.106 1.00 95.71 O +ATOM 24 N GLY A 4 -20.258 -25.548 -21.209 1.00 97.27 N +ATOM 25 CA GLY A 4 -18.839 -25.384 -21.428 1.00 96.52 C +ATOM 26 C GLY A 4 -18.056 -25.586 -20.138 1.00 96.43 C +ATOM 27 O GLY A 4 -18.621 -25.584 -19.039 1.00 95.96 O +ATOM 28 N ALA A 5 -16.736 -25.768 -20.285 1.00 97.30 N +ATOM 29 CA ALA A 5 -15.866 -25.967 -19.128 1.00 97.08 C +ATOM 30 C ALA A 5 -15.828 -24.714 -18.260 1.00 97.02 C +ATOM 31 O ALA A 5 -15.969 -23.596 -18.754 1.00 95.42 O +ATOM 32 CB ALA A 5 -14.464 -26.337 -19.587 1.00 94.52 C +ATOM 33 N ALA A 6 -15.612 -24.904 -16.953 1.00 96.50 N +ATOM 34 CA ALA A 6 -15.528 -23.776 -16.032 1.00 96.32 C +ATOM 35 C ALA A 6 -14.317 -22.912 -16.375 1.00 96.36 C +ATOM 36 O ALA A 6 -13.292 -23.407 -16.841 1.00 94.17 O +ATOM 37 CB ALA A 6 -15.422 -24.275 -14.594 1.00 93.53 C +ATOM 38 N GLY A 7 -14.448 -21.614 -16.150 1.00 96.05 N +ATOM 39 CA GLY A 7 -13.354 -20.706 -16.428 1.00 95.23 C +ATOM 40 C GLY A 7 -12.181 -20.930 -15.496 1.00 95.21 C +ATOM 41 O GLY A 7 -12.317 -21.510 -14.422 1.00 95.13 O +ATOM 42 N ARG A 8 -11.011 -20.463 -15.936 1.00 97.60 N +ATOM 43 CA ARG A 8 -9.806 -20.593 -15.131 1.00 97.62 C +ATOM 44 C ARG A 8 -9.827 -19.607 -13.970 1.00 97.76 C +ATOM 45 O ARG A 8 -10.503 -18.581 -14.023 1.00 97.59 O +ATOM 46 CB ARG A 8 -8.571 -20.340 -16.001 1.00 96.05 C +ATOM 47 CG ARG A 8 -8.309 -21.470 -16.995 1.00 90.68 C +ATOM 48 CD ARG A 8 -8.006 -20.972 -18.370 1.00 88.20 C +ATOM 49 NE ARG A 8 -6.830 -20.124 -18.424 1.00 83.91 N +ATOM 50 CZ ARG A 8 -6.378 -19.552 -19.532 1.00 80.29 C +ATOM 51 NH1 ARG A 8 -7.008 -19.711 -20.680 1.00 77.99 N +ATOM 52 NH2 ARG A 8 -5.295 -18.795 -19.494 1.00 77.88 N +ATOM 53 N THR A 9 -9.064 -19.919 -12.919 1.00 97.68 N +ATOM 54 CA THR A 9 -8.944 -19.024 -11.777 1.00 97.69 C +ATOM 55 C THR A 9 -8.324 -17.711 -12.260 1.00 97.95 C +ATOM 56 O THR A 9 -7.408 -17.720 -13.090 1.00 97.56 O +ATOM 57 CB THR A 9 -8.068 -19.653 -10.685 1.00 96.46 C +ATOM 58 OG1 THR A 9 -8.657 -20.888 -10.270 1.00 93.72 O +ATOM 59 CG2 THR A 9 -7.928 -18.737 -9.480 1.00 92.55 C +ATOM 60 N GLY A 10 -8.822 -16.593 -11.757 1.00 97.59 N +ATOM 61 CA GLY A 10 -8.308 -15.301 -12.167 1.00 96.84 C +ATOM 62 C GLY A 10 -6.873 -15.062 -11.735 1.00 97.13 C +ATOM 63 O GLY A 10 -6.340 -15.783 -10.889 1.00 97.62 O +ATOM 64 N PRO A 11 -6.235 -14.041 -12.305 1.00 98.30 N +ATOM 65 CA PRO A 11 -4.851 -13.718 -11.961 1.00 98.27 C +ATOM 66 C PRO A 11 -4.760 -13.093 -10.574 1.00 98.42 C +ATOM 67 O PRO A 11 -5.752 -12.625 -10.030 1.00 98.30 O +ATOM 68 CB PRO A 11 -4.440 -12.725 -13.049 1.00 97.54 C +ATOM 69 CG PRO A 11 -5.725 -12.035 -13.373 1.00 96.40 C +ATOM 70 CD PRO A 11 -6.765 -13.135 -13.320 1.00 97.77 C +HETATM 71 N HYP A 12 -3.572 -13.086 -10.004 1.00 97.88 N +HETATM 72 CA HYP A 12 -3.322 -12.426 -8.752 1.00 97.36 C +HETATM 73 C HYP A 12 -3.641 -10.987 -8.757 1.00 97.66 C +HETATM 74 O HYP A 12 -3.506 -10.339 -9.807 1.00 96.70 O +HETATM 75 CB HYP A 12 -1.784 -12.631 -8.514 1.00 96.92 C +HETATM 76 CG HYP A 12 -1.464 -13.870 -9.306 1.00 96.89 C +HETATM 77 CD HYP A 12 -2.399 -13.766 -10.469 1.00 97.09 C +HETATM 78 OD1 HYP A 12 -1.707 -15.054 -8.573 1.00 96.78 O +ATOM 79 N GLY A 13 -4.093 -10.437 -7.652 1.00 98.24 N +ATOM 80 CA GLY A 13 -4.439 -9.041 -7.563 1.00 97.88 C +ATOM 81 C GLY A 13 -3.215 -8.159 -7.737 1.00 98.00 C +ATOM 82 O GLY A 13 -2.077 -8.640 -7.736 1.00 98.21 O +ATOM 83 N PRO A 14 -3.437 -6.836 -7.871 1.00 98.35 N +ATOM 84 CA PRO A 14 -2.324 -5.906 -8.041 1.00 98.01 C +ATOM 85 C PRO A 14 -1.501 -5.746 -6.768 1.00 98.18 C +ATOM 86 O PRO A 14 -1.970 -6.043 -5.669 1.00 97.60 O +ATOM 87 CB PRO A 14 -3.018 -4.595 -8.430 1.00 97.22 C +ATOM 88 CG PRO A 14 -4.326 -4.687 -7.722 1.00 96.38 C +ATOM 89 CD PRO A 14 -4.726 -6.135 -7.870 1.00 97.74 C +ATOM 90 N SER A 15 -0.265 -5.249 -6.912 1.00 98.14 N +ATOM 91 CA SER A 15 0.594 -4.994 -5.765 1.00 97.97 C +ATOM 92 C SER A 15 -0.033 -3.903 -4.909 1.00 97.98 C +ATOM 93 O SER A 15 -0.761 -3.042 -5.408 1.00 96.85 O +ATOM 94 CB SER A 15 1.985 -4.559 -6.212 1.00 96.61 C +ATOM 95 OG SER A 15 2.625 -5.592 -6.935 1.00 89.04 O +ATOM 96 N GLY A 16 0.247 -3.936 -3.608 1.00 97.91 N +ATOM 97 CA GLY A 16 -0.298 -2.943 -2.712 1.00 97.59 C +ATOM 98 C GLY A 16 0.266 -1.559 -2.986 1.00 97.70 C +ATOM 99 O GLY A 16 1.312 -1.410 -3.611 1.00 97.72 O +ATOM 100 N ILE A 17 -0.438 -0.547 -2.491 1.00 97.86 N +ATOM 101 CA ILE A 17 0.025 0.824 -2.653 1.00 97.38 C +ATOM 102 C ILE A 17 1.244 1.056 -1.766 1.00 97.37 C +ATOM 103 O ILE A 17 1.454 0.367 -0.771 1.00 96.80 O +ATOM 104 CB ILE A 17 -1.084 1.838 -2.298 1.00 95.98 C +ATOM 105 CG1 ILE A 17 -1.537 1.649 -0.857 1.00 91.67 C +ATOM 106 CG2 ILE A 17 -2.248 1.693 -3.271 1.00 89.98 C +ATOM 107 CD1 ILE A 17 -2.500 2.737 -0.379 1.00 85.53 C +ATOM 108 N SER A 18 2.056 2.054 -2.134 1.00 97.83 N +ATOM 109 CA SER A 18 3.239 2.387 -1.355 1.00 97.68 C +ATOM 110 C SER A 18 2.857 2.808 0.058 1.00 97.78 C +ATOM 111 O SER A 18 1.814 3.425 0.268 1.00 97.18 O +ATOM 112 CB SER A 18 4.020 3.521 -2.030 1.00 95.91 C +ATOM 113 OG SER A 18 5.135 3.905 -1.267 1.00 89.49 O +ATOM 114 N GLY A 19 3.696 2.466 1.019 1.00 97.50 N +ATOM 115 CA GLY A 19 3.459 2.867 2.391 1.00 97.12 C +ATOM 116 C GLY A 19 3.690 4.361 2.556 1.00 97.69 C +ATOM 117 O GLY A 19 4.190 5.025 1.653 1.00 98.01 O +ATOM 118 N PRO A 20 3.330 4.907 3.732 1.00 97.82 N +ATOM 119 CA PRO A 20 3.505 6.335 3.986 1.00 97.79 C +ATOM 120 C PRO A 20 4.975 6.696 4.145 1.00 97.92 C +ATOM 121 O PRO A 20 5.812 5.843 4.422 1.00 97.86 O +ATOM 122 CB PRO A 20 2.726 6.559 5.283 1.00 96.74 C +ATOM 123 CG PRO A 20 2.831 5.251 5.980 1.00 95.48 C +ATOM 124 CD PRO A 20 2.721 4.226 4.877 1.00 97.25 C +HETATM 125 N HYP A 21 5.313 7.954 3.994 1.00 97.36 N +HETATM 126 CA HYP A 21 6.621 8.467 4.219 1.00 97.16 C +HETATM 127 C HYP A 21 7.161 8.205 5.616 1.00 97.17 C +HETATM 128 O HYP A 21 6.334 8.178 6.565 1.00 95.83 O +HETATM 129 CB HYP A 21 6.503 9.959 3.938 1.00 96.31 C +HETATM 130 CG HYP A 21 5.337 10.045 2.992 1.00 95.41 C +HETATM 131 CD HYP A 21 4.423 8.975 3.461 1.00 96.69 C +HETATM 132 OD1 HYP A 21 5.698 9.824 1.658 1.00 95.08 O +ATOM 133 N GLY A 22 8.418 7.993 5.760 1.00 97.60 N +ATOM 134 CA GLY A 22 8.994 7.795 7.062 1.00 97.07 C +ATOM 135 C GLY A 22 8.955 9.094 7.857 1.00 97.52 C +ATOM 136 O GLY A 22 8.603 10.148 7.325 1.00 97.84 O +ATOM 137 N PRO A 23 9.326 9.034 9.148 1.00 97.74 N +ATOM 138 CA PRO A 23 9.298 10.226 9.994 1.00 97.58 C +ATOM 139 C PRO A 23 10.364 11.226 9.569 1.00 97.70 C +ATOM 140 O PRO A 23 11.373 10.867 8.972 1.00 97.51 O +ATOM 141 CB PRO A 23 9.567 9.671 11.387 1.00 96.41 C +ATOM 142 CG PRO A 23 10.371 8.448 11.126 1.00 95.00 C +ATOM 143 CD PRO A 23 9.764 7.851 9.884 1.00 97.04 C +HETATM 144 N HYP A 24 10.172 12.464 9.921 1.00 97.48 N +HETATM 145 CA HYP A 24 11.135 13.523 9.636 1.00 97.19 C +HETATM 146 C HYP A 24 12.471 13.262 10.350 1.00 97.47 C +HETATM 147 O HYP A 24 12.491 12.654 11.430 1.00 96.60 O +HETATM 148 CB HYP A 24 10.460 14.772 10.252 1.00 96.24 C +HETATM 149 CG HYP A 24 8.987 14.481 10.240 1.00 95.24 C +HETATM 150 CD HYP A 24 8.929 12.993 10.501 1.00 96.67 C +HETATM 151 OD1 HYP A 24 8.403 14.760 9.002 1.00 94.47 O +ATOM 152 N GLY A 25 13.531 13.721 9.736 1.00 97.31 N +ATOM 153 CA GLY A 25 14.827 13.593 10.343 1.00 96.87 C +ATOM 154 C GLY A 25 14.935 14.512 11.550 1.00 97.23 C +ATOM 155 O GLY A 25 14.055 15.340 11.802 1.00 97.48 O +ATOM 156 N PRO A 26 16.023 14.397 12.325 1.00 97.14 N +ATOM 157 CA PRO A 26 16.199 15.226 13.514 1.00 96.75 C +ATOM 158 C PRO A 26 16.451 16.678 13.143 1.00 96.81 C +ATOM 159 O PRO A 26 16.910 16.983 12.047 1.00 96.36 O +ATOM 160 CB PRO A 26 17.405 14.600 14.201 1.00 95.13 C +ATOM 161 CG PRO A 26 18.179 14.015 13.071 1.00 93.32 C +ATOM 162 CD PRO A 26 17.132 13.467 12.139 1.00 96.09 C +HETATM 163 N HYP A 27 16.193 17.586 14.077 1.00 96.87 N +HETATM 164 CA HYP A 27 16.445 18.995 13.845 1.00 95.66 C +HETATM 165 C HYP A 27 17.923 19.299 13.662 1.00 96.18 C +HETATM 166 O HYP A 27 18.764 18.614 14.239 1.00 95.43 O +HETATM 167 CB HYP A 27 15.974 19.657 15.197 1.00 94.84 C +HETATM 168 CG HYP A 27 14.959 18.702 15.782 1.00 93.63 C +HETATM 169 CD HYP A 27 15.487 17.329 15.349 1.00 95.30 C +HETATM 170 OD1 HYP A 27 13.683 18.888 15.242 1.00 92.77 O +ATOM 171 N GLY A 28 18.205 20.281 12.844 1.00 95.52 N +ATOM 172 CA GLY A 28 19.567 20.678 12.634 1.00 95.16 C +ATOM 173 C GLY A 28 20.105 21.378 13.870 1.00 95.72 C +ATOM 174 O GLY A 28 19.359 21.646 14.820 1.00 96.01 O +ATOM 175 N PRO A 29 21.404 21.708 13.897 1.00 95.41 N +ATOM 176 CA PRO A 29 21.991 22.382 15.053 1.00 95.05 C +ATOM 177 C PRO A 29 21.440 23.799 15.193 1.00 94.80 C +ATOM 178 O PRO A 29 21.009 24.401 14.215 1.00 93.81 O +ATOM 179 CB PRO A 29 23.482 22.376 14.743 1.00 92.38 C +ATOM 180 CG PRO A 29 23.535 22.341 13.252 1.00 90.39 C +ATOM 181 CD PRO A 29 22.390 21.448 12.860 1.00 93.60 C +HETATM 182 N HYP A 30 21.506 24.377 16.429 1.00 92.88 N +HETATM 183 CA HYP A 30 21.013 25.698 16.632 1.00 92.66 C +HETATM 184 C HYP A 30 21.793 26.725 15.883 1.00 91.15 C +HETATM 185 O HYP A 30 23.004 26.661 15.807 1.00 91.29 O +HETATM 186 CB HYP A 30 21.219 25.914 18.193 1.00 90.92 C +HETATM 187 CG HYP A 30 21.255 24.550 18.789 1.00 88.48 C +HETATM 188 CD HYP A 30 21.861 23.681 17.670 1.00 91.62 C +HETATM 189 OD1 HYP A 30 19.964 24.068 19.094 1.00 89.88 O +ATOM 190 N GLY A 31 21.039 27.731 15.272 1.00 91.09 N +ATOM 191 CA GLY A 31 21.667 28.775 14.502 1.00 88.55 C +ATOM 192 C GLY A 31 22.330 29.793 15.418 1.00 86.53 C +ATOM 193 O GLY A 31 22.009 29.885 16.606 1.00 82.84 O +ATOM 194 N VAL A 32 23.279 30.588 14.864 1.00 92.70 N +ATOM 195 CA VAL A 32 23.963 31.643 15.605 1.00 91.04 C +ATOM 196 C VAL A 32 24.047 32.906 14.752 1.00 87.99 C +ATOM 197 O VAL A 32 24.339 33.978 15.306 1.00 84.46 O +ATOM 198 CB VAL A 32 25.383 31.216 16.046 1.00 83.17 C +ATOM 199 CG1 VAL A 32 25.298 30.104 17.071 1.00 74.36 C +ATOM 200 CG2 VAL A 32 26.208 30.772 14.848 1.00 77.09 C +ATOM 201 OXT VAL A 32 23.818 32.855 13.541 1.00 73.39 O +TER 202 VAL A 32 +END diff --git a/protein_pdb_625.txt b/protein_pdb_625.txt new file mode 100644 index 0000000000000000000000000000000000000000..3696fd2a3a0afc19be9af090cec1e9c90167e61d --- /dev/null +++ b/protein_pdb_625.txt @@ -0,0 +1,215 @@ +ATOM 1 N GLY A 1 1.995 49.150 12.504 1.00 93.53 N +ATOM 2 CA GLY A 1 2.616 48.682 11.264 1.00 94.34 C +ATOM 3 C GLY A 1 1.800 47.596 10.600 1.00 94.10 C +ATOM 4 O GLY A 1 0.853 47.090 11.203 1.00 92.55 O +ATOM 5 N PRO A 2 2.160 47.183 9.375 1.00 95.81 N +ATOM 6 CA PRO A 2 1.431 46.134 8.664 1.00 95.88 C +ATOM 7 C PRO A 2 1.663 44.761 9.303 1.00 95.81 C +ATOM 8 O PRO A 2 2.641 44.568 10.015 1.00 94.90 O +ATOM 9 CB PRO A 2 1.994 46.195 7.248 1.00 93.64 C +ATOM 10 CG PRO A 2 3.379 46.692 7.450 1.00 90.90 C +ATOM 11 CD PRO A 2 3.265 47.697 8.573 1.00 93.12 C +HETATM 12 N HYP A 3 0.779 43.919 9.077 1.00 95.67 N +HETATM 13 CA HYP A 3 0.925 42.491 9.528 1.00 95.78 C +HETATM 14 C HYP A 3 2.205 41.822 8.995 1.00 95.45 C +HETATM 15 O HYP A 3 2.665 42.130 7.906 1.00 94.94 O +HETATM 16 CB HYP A 3 -0.332 41.767 8.949 1.00 93.48 C +HETATM 17 CG HYP A 3 -1.309 42.874 8.613 1.00 93.36 C +HETATM 18 CD HYP A 3 -0.404 44.077 8.248 1.00 94.64 C +HETATM 19 OD1 HYP A 3 -2.084 43.219 9.742 1.00 92.80 O +ATOM 20 N GLY A 4 2.780 40.936 9.842 1.00 96.28 N +ATOM 21 CA GLY A 4 3.986 40.247 9.455 1.00 95.73 C +ATOM 22 C GLY A 4 3.712 39.232 8.356 1.00 95.91 C +ATOM 23 O GLY A 4 2.561 38.868 8.099 1.00 95.97 O +ATOM 24 N ALA A 5 4.783 38.767 7.715 1.00 96.61 N +ATOM 25 CA ALA A 5 4.678 37.779 6.651 1.00 96.47 C +ATOM 26 C ALA A 5 4.247 36.439 7.225 1.00 96.56 C +ATOM 27 O ALA A 5 4.554 36.121 8.375 1.00 96.05 O +ATOM 28 CB ALA A 5 6.013 37.638 5.927 1.00 94.43 C +HETATM 29 N HYP A 6 3.538 35.691 6.417 1.00 96.25 N +HETATM 30 CA HYP A 6 3.203 34.316 6.822 1.00 97.29 C +HETATM 31 C HYP A 6 4.384 33.459 7.091 1.00 96.48 C +HETATM 32 O HYP A 6 5.409 33.609 6.452 1.00 95.59 O +HETATM 33 CB HYP A 6 2.320 33.735 5.632 1.00 94.14 C +HETATM 34 CG HYP A 6 1.781 34.956 4.945 1.00 93.10 C +HETATM 35 CD HYP A 6 2.890 35.953 5.149 1.00 95.08 C +HETATM 36 OD1 HYP A 6 0.585 35.411 5.547 1.00 91.62 O +ATOM 37 N GLY A 7 4.273 32.529 8.102 1.00 96.72 N +ATOM 38 CA GLY A 7 5.358 31.645 8.470 1.00 96.38 C +ATOM 39 C GLY A 7 5.651 30.630 7.379 1.00 96.63 C +ATOM 40 O GLY A 7 4.898 30.509 6.405 1.00 96.96 O +ATOM 41 N PRO A 8 6.738 29.864 7.549 1.00 97.43 N +ATOM 42 CA PRO A 8 7.093 28.862 6.542 1.00 97.36 C +ATOM 43 C PRO A 8 6.106 27.702 6.513 1.00 97.67 C +ATOM 44 O PRO A 8 5.392 27.447 7.485 1.00 97.04 O +ATOM 45 CB PRO A 8 8.488 28.401 6.979 1.00 95.91 C +ATOM 46 CG PRO A 8 8.469 28.609 8.458 1.00 94.26 C +ATOM 47 CD PRO A 8 7.690 29.885 8.652 1.00 96.58 C +ATOM 48 N LEU A 9 6.086 26.983 5.392 1.00 96.04 N +ATOM 49 CA LEU A 9 5.212 25.825 5.226 1.00 95.88 C +ATOM 50 C LEU A 9 5.645 24.720 6.184 1.00 95.69 C +ATOM 51 O LEU A 9 6.834 24.483 6.380 1.00 94.64 O +ATOM 52 CB LEU A 9 5.278 25.329 3.776 1.00 93.40 C +ATOM 53 CG LEU A 9 4.403 24.119 3.422 1.00 83.41 C +ATOM 54 CD1 LEU A 9 2.929 24.477 3.535 1.00 82.90 C +ATOM 55 CD2 LEU A 9 4.723 23.644 2.008 1.00 82.34 C +ATOM 56 N GLY A 10 4.680 24.035 6.785 1.00 97.04 N +ATOM 57 CA GLY A 10 4.983 22.953 7.706 1.00 96.54 C +ATOM 58 C GLY A 10 5.663 21.779 7.020 1.00 96.81 C +ATOM 59 O GLY A 10 5.613 21.638 5.800 1.00 97.06 O +ATOM 60 N ILE A 11 6.281 20.931 7.826 1.00 96.85 N +ATOM 61 CA ILE A 11 6.978 19.758 7.306 1.00 96.45 C +ATOM 62 C ILE A 11 5.953 18.750 6.786 1.00 96.37 C +ATOM 63 O ILE A 11 4.920 18.526 7.414 1.00 96.01 O +ATOM 64 CB ILE A 11 7.856 19.114 8.392 1.00 95.04 C +ATOM 65 CG1 ILE A 11 8.894 20.126 8.883 1.00 90.27 C +ATOM 66 CG2 ILE A 11 8.543 17.862 7.855 1.00 87.83 C +ATOM 67 CD1 ILE A 11 9.661 19.663 10.109 1.00 83.33 C +ATOM 68 N ALA A 12 6.252 18.129 5.641 1.00 95.16 N +ATOM 69 CA ALA A 12 5.358 17.133 5.060 1.00 95.23 C +ATOM 70 C ALA A 12 5.256 15.919 5.980 1.00 95.07 C +ATOM 71 O ALA A 12 6.221 15.553 6.656 1.00 93.21 O +ATOM 72 CB ALA A 12 5.862 16.712 3.681 1.00 93.12 C +ATOM 73 N GLY A 13 4.090 15.282 6.002 1.00 96.36 N +ATOM 74 CA GLY A 13 3.890 14.105 6.829 1.00 96.05 C +ATOM 75 C GLY A 13 4.712 12.929 6.337 1.00 96.36 C +ATOM 76 O GLY A 13 5.173 12.897 5.195 1.00 96.44 O +ATOM 77 N ILE A 14 4.882 11.939 7.210 1.00 96.08 N +ATOM 78 CA ILE A 14 5.646 10.749 6.853 1.00 95.88 C +ATOM 79 C ILE A 14 4.841 9.903 5.872 1.00 96.04 C +ATOM 80 O ILE A 14 3.609 9.878 5.906 1.00 95.29 O +ATOM 81 CB ILE A 14 6.014 9.915 8.094 1.00 94.38 C +ATOM 82 CG1 ILE A 14 4.753 9.500 8.853 1.00 89.50 C +ATOM 83 CG2 ILE A 14 6.953 10.720 8.989 1.00 87.00 C +ATOM 84 CD1 ILE A 14 5.028 8.535 9.989 1.00 81.79 C +ATOM 85 N THR A 15 5.556 9.186 4.993 1.00 95.59 N +ATOM 86 CA THR A 15 4.907 8.312 4.019 1.00 95.57 C +ATOM 87 C THR A 15 4.371 7.076 4.732 1.00 95.37 C +ATOM 88 O THR A 15 5.032 6.510 5.603 1.00 94.06 O +ATOM 89 CB THR A 15 5.909 7.893 2.926 1.00 93.10 C +ATOM 90 OG1 THR A 15 6.418 9.058 2.276 1.00 89.37 O +ATOM 91 CG2 THR A 15 5.243 6.998 1.893 1.00 86.54 C +ATOM 92 N GLY A 16 3.158 6.653 4.366 1.00 96.98 N +ATOM 93 CA GLY A 16 2.569 5.477 4.967 1.00 96.50 C +ATOM 94 C GLY A 16 3.360 4.218 4.643 1.00 96.82 C +ATOM 95 O GLY A 16 4.047 4.145 3.624 1.00 96.85 O +ATOM 96 N ALA A 17 3.262 3.232 5.530 1.00 96.23 N +ATOM 97 CA ALA A 17 3.962 1.970 5.323 1.00 96.51 C +ATOM 98 C ALA A 17 3.356 1.210 4.146 1.00 96.58 C +ATOM 99 O ALA A 17 2.158 1.312 3.878 1.00 94.84 O +ATOM 100 CB ALA A 17 3.889 1.118 6.585 1.00 94.62 C +ATOM 101 N ARG A 18 4.183 0.430 3.453 1.00 97.35 N +ATOM 102 CA ARG A 18 3.716 -0.383 2.330 1.00 97.38 C +ATOM 103 C ARG A 18 2.729 -1.432 2.856 1.00 97.43 C +ATOM 104 O ARG A 18 2.932 -2.013 3.922 1.00 96.64 O +ATOM 105 CB ARG A 18 4.904 -1.073 1.646 1.00 95.49 C +ATOM 106 CG ARG A 18 4.515 -1.899 0.433 1.00 91.39 C +ATOM 107 CD ARG A 18 5.714 -2.666 -0.103 1.00 87.53 C +ATOM 108 NE ARG A 18 6.758 -1.792 -0.615 1.00 81.95 N +ATOM 109 CZ ARG A 18 6.842 -1.379 -1.870 1.00 78.14 C +ATOM 110 NH1 ARG A 18 5.967 -1.771 -2.780 1.00 75.08 N +ATOM 111 NH2 ARG A 18 7.830 -0.580 -2.230 1.00 73.84 N +ATOM 112 N GLY A 19 1.675 -1.650 2.088 1.00 97.09 N +ATOM 113 CA GLY A 19 0.692 -2.645 2.475 1.00 96.58 C +ATOM 114 C GLY A 19 1.280 -4.046 2.486 1.00 97.04 C +ATOM 115 O GLY A 19 2.295 -4.316 1.846 1.00 97.12 O +ATOM 116 N LEU A 20 0.627 -4.950 3.228 1.00 95.18 N +ATOM 117 CA LEU A 20 1.066 -6.332 3.300 1.00 95.58 C +ATOM 118 C LEU A 20 0.860 -7.030 1.959 1.00 95.14 C +ATOM 119 O LEU A 20 -0.023 -6.663 1.186 1.00 94.46 O +ATOM 120 CB LEU A 20 0.291 -7.088 4.384 1.00 93.33 C +ATOM 121 CG LEU A 20 0.486 -6.596 5.817 1.00 84.88 C +ATOM 122 CD1 LEU A 20 -0.472 -7.329 6.748 1.00 83.39 C +ATOM 123 CD2 LEU A 20 1.923 -6.807 6.263 1.00 81.25 C +ATOM 124 N ALA A 21 1.676 -8.046 1.687 1.00 96.33 N +ATOM 125 CA ALA A 21 1.537 -8.819 0.465 1.00 96.48 C +ATOM 126 C ALA A 21 0.201 -9.546 0.478 1.00 96.49 C +ATOM 127 O ALA A 21 -0.275 -9.976 1.533 1.00 95.16 O +ATOM 128 CB ALA A 21 2.678 -9.825 0.331 1.00 94.18 C +ATOM 129 N GLY A 22 -0.400 -9.687 -0.696 1.00 97.16 N +ATOM 130 CA GLY A 22 -1.669 -10.377 -0.805 1.00 96.66 C +ATOM 131 C GLY A 22 -1.513 -11.873 -0.595 1.00 97.04 C +ATOM 132 O GLY A 22 -0.393 -12.388 -0.567 1.00 97.44 O +ATOM 133 N PRO A 23 -2.638 -12.598 -0.433 1.00 96.62 N +ATOM 134 CA PRO A 23 -2.592 -14.043 -0.221 1.00 96.55 C +ATOM 135 C PRO A 23 -2.166 -14.769 -1.493 1.00 96.60 C +ATOM 136 O PRO A 23 -2.243 -14.222 -2.584 1.00 96.08 O +ATOM 137 CB PRO A 23 -4.024 -14.394 0.164 1.00 94.77 C +ATOM 138 CG PRO A 23 -4.829 -13.362 -0.546 1.00 92.78 C +ATOM 139 CD PRO A 23 -4.008 -12.097 -0.441 1.00 95.40 C +HETATM 140 N HYP A 24 -1.750 -16.028 -1.361 1.00 94.85 N +HETATM 141 CA HYP A 24 -1.403 -16.850 -2.475 1.00 96.28 C +HETATM 142 C HYP A 24 -2.581 -17.033 -3.438 1.00 95.05 C +HETATM 143 O HYP A 24 -3.743 -17.055 -2.982 1.00 94.19 O +HETATM 144 CB HYP A 24 -0.990 -18.184 -1.835 1.00 93.51 C +HETATM 145 CG HYP A 24 -0.504 -17.799 -0.466 1.00 92.43 C +HETATM 146 CD HYP A 24 -1.415 -16.681 -0.094 1.00 93.90 C +HETATM 147 OD1 HYP A 24 0.820 -17.366 -0.469 1.00 91.98 O +ATOM 148 N GLY A 25 -2.307 -17.116 -4.717 1.00 96.20 N +ATOM 149 CA GLY A 25 -3.347 -17.315 -5.687 1.00 95.38 C +ATOM 150 C GLY A 25 -3.938 -18.711 -5.574 1.00 95.60 C +ATOM 151 O GLY A 25 -3.431 -19.555 -4.818 1.00 95.87 O +ATOM 152 N PRO A 26 -5.023 -18.985 -6.307 1.00 95.92 N +ATOM 153 CA PRO A 26 -5.659 -20.296 -6.260 1.00 95.59 C +ATOM 154 C PRO A 26 -4.771 -21.369 -6.874 1.00 95.62 C +ATOM 155 O PRO A 26 -3.916 -21.074 -7.705 1.00 94.65 O +ATOM 156 CB PRO A 26 -6.939 -20.093 -7.066 1.00 93.39 C +ATOM 157 CG PRO A 26 -6.586 -19.005 -8.018 1.00 91.59 C +ATOM 158 CD PRO A 26 -5.702 -18.079 -7.226 1.00 94.06 C +HETATM 159 N HYP A 27 -5.002 -22.609 -6.501 1.00 94.79 N +HETATM 160 CA HYP A 27 -4.247 -23.728 -7.062 1.00 93.46 C +HETATM 161 C HYP A 27 -4.462 -23.839 -8.581 1.00 94.48 C +HETATM 162 O HYP A 27 -5.548 -23.536 -9.087 1.00 93.63 O +HETATM 163 CB HYP A 27 -4.879 -24.960 -6.342 1.00 92.30 C +HETATM 164 CG HYP A 27 -5.417 -24.423 -5.038 1.00 91.55 C +HETATM 165 CD HYP A 27 -5.906 -23.041 -5.420 1.00 93.78 C +HETATM 166 OD1 HYP A 27 -4.402 -24.307 -4.077 1.00 91.11 O +ATOM 167 N GLY A 28 -3.407 -24.253 -9.288 1.00 94.82 N +ATOM 168 CA GLY A 28 -3.499 -24.443 -10.709 1.00 94.26 C +ATOM 169 C GLY A 28 -4.379 -25.639 -11.029 1.00 94.53 C +ATOM 170 O GLY A 28 -4.756 -26.403 -10.134 1.00 94.70 O +ATOM 171 N PRO A 29 -4.710 -25.823 -12.308 1.00 95.00 N +ATOM 172 CA PRO A 29 -5.571 -26.941 -12.704 1.00 94.38 C +ATOM 173 C PRO A 29 -4.846 -28.271 -12.565 1.00 94.31 C +ATOM 174 O PRO A 29 -3.625 -28.335 -12.630 1.00 93.39 O +ATOM 175 CB PRO A 29 -5.890 -26.622 -14.161 1.00 91.39 C +ATOM 176 CG PRO A 29 -4.712 -25.837 -14.619 1.00 89.07 C +ATOM 177 CD PRO A 29 -4.339 -24.983 -13.434 1.00 92.26 C +HETATM 178 N HYP A 30 -5.625 -29.339 -12.399 1.00 93.46 N +HETATM 179 CA HYP A 30 -5.020 -30.682 -12.317 1.00 90.47 C +HETATM 180 C HYP A 30 -4.339 -31.055 -13.629 1.00 91.47 C +HETATM 181 O HYP A 30 -4.720 -30.612 -14.698 1.00 92.85 O +HETATM 182 CB HYP A 30 -6.272 -31.598 -12.103 1.00 90.47 C +HETATM 183 CG HYP A 30 -7.331 -30.710 -11.445 1.00 90.19 C +HETATM 184 CD HYP A 30 -7.071 -29.349 -12.104 1.00 91.90 C +HETATM 185 OD1 HYP A 30 -7.115 -30.598 -10.056 1.00 88.78 O +ATOM 186 N GLY A 31 -3.299 -31.879 -13.528 1.00 92.31 N +ATOM 187 CA GLY A 31 -2.608 -32.356 -14.699 1.00 91.47 C +ATOM 188 C GLY A 31 -3.488 -33.319 -15.473 1.00 91.70 C +ATOM 189 O GLY A 31 -4.551 -33.726 -14.994 1.00 91.51 O +ATOM 190 N PRO A 32 -3.059 -33.723 -16.666 1.00 92.42 N +ATOM 191 CA PRO A 32 -3.847 -34.647 -17.476 1.00 92.08 C +ATOM 192 C PRO A 32 -3.884 -36.027 -16.836 1.00 91.83 C +ATOM 193 O PRO A 32 -2.967 -36.402 -16.111 1.00 90.55 O +ATOM 194 CB PRO A 32 -3.120 -34.656 -18.814 1.00 88.28 C +ATOM 195 CG PRO A 32 -1.718 -34.310 -18.450 1.00 86.21 C +ATOM 196 CD PRO A 32 -1.842 -33.304 -17.339 1.00 89.11 C +HETATM 197 N HYP A 33 -4.951 -36.824 -17.155 1.00 89.16 N +HETATM 198 CA HYP A 33 -5.036 -38.147 -16.600 1.00 86.88 C +HETATM 199 C HYP A 33 -3.934 -39.027 -17.106 1.00 87.07 C +HETATM 200 O HYP A 33 -3.480 -38.887 -18.230 1.00 89.86 O +HETATM 201 CB HYP A 33 -6.430 -38.643 -17.178 1.00 86.36 C +HETATM 202 CG HYP A 33 -7.222 -37.410 -17.484 1.00 85.77 C +HETATM 203 CD HYP A 33 -6.163 -36.391 -17.872 1.00 88.81 C +HETATM 204 OD1 HYP A 33 -7.902 -36.942 -16.305 1.00 85.19 O +ATOM 205 N GLY A 34 -3.445 -39.967 -16.202 1.00 87.96 N +ATOM 206 CA GLY A 34 -2.385 -40.874 -16.572 1.00 85.47 C +ATOM 207 C GLY A 34 -2.844 -41.837 -17.645 1.00 83.08 C +ATOM 208 O GLY A 34 -4.040 -42.068 -17.820 1.00 78.88 O +ATOM 209 N GLY A 35 -1.855 -42.425 -18.361 1.00 84.00 N +ATOM 210 CA GLY A 35 -2.160 -43.343 -19.438 1.00 79.70 C +ATOM 211 C GLY A 35 -2.508 -44.742 -18.954 1.00 74.60 C +ATOM 212 O GLY A 35 -2.443 -45.011 -17.750 1.00 69.90 O +ATOM 213 OXT GLY A 35 -2.822 -45.604 -19.820 1.00 70.94 O +TER 214 GLY A 35 +END diff --git a/protein_pdb_626.txt b/protein_pdb_626.txt new file mode 100644 index 0000000000000000000000000000000000000000..af42231e46b1d4378b6998242f89e19e15a17c3f --- /dev/null +++ b/protein_pdb_626.txt @@ -0,0 +1,218 @@ +ATOM 1 N GLY A 1 31.109 -1.963 32.489 1.00 93.80 N +ATOM 2 CA GLY A 1 30.065 -2.956 32.222 1.00 95.12 C +ATOM 3 C GLY A 1 30.028 -3.338 30.756 1.00 95.23 C +ATOM 4 O GLY A 1 30.673 -2.679 29.927 1.00 94.68 O +ATOM 5 N PRO A 2 29.277 -4.391 30.392 1.00 95.35 N +ATOM 6 CA PRO A 2 29.199 -4.820 28.996 1.00 96.15 C +ATOM 7 C PRO A 2 28.446 -3.797 28.140 1.00 96.49 C +ATOM 8 O PRO A 2 27.627 -3.027 28.642 1.00 94.63 O +ATOM 9 CB PRO A 2 28.438 -6.146 29.063 1.00 94.58 C +ATOM 10 CG PRO A 2 27.591 -6.012 30.279 1.00 91.29 C +ATOM 11 CD PRO A 2 28.448 -5.240 31.260 1.00 93.13 C +ATOM 12 N ARG A 3 28.716 -3.796 26.812 1.00 95.45 N +ATOM 13 CA ARG A 3 28.051 -2.893 25.880 1.00 96.39 C +ATOM 14 C ARG A 3 26.573 -3.251 25.770 1.00 95.98 C +ATOM 15 O ARG A 3 26.201 -4.424 25.805 1.00 94.13 O +ATOM 16 CB ARG A 3 28.721 -2.962 24.504 1.00 94.29 C +ATOM 17 CG ARG A 3 28.077 -2.061 23.458 1.00 86.08 C +ATOM 18 CD ARG A 3 28.812 -2.152 22.132 1.00 83.03 C +ATOM 19 NE ARG A 3 30.150 -1.575 22.207 1.00 76.38 N +ATOM 20 CZ ARG A 3 31.056 -1.664 21.241 1.00 71.42 C +ATOM 21 NH1 ARG A 3 30.787 -2.316 20.127 1.00 67.33 N +ATOM 22 NH2 ARG A 3 32.240 -1.093 21.392 1.00 66.71 N +ATOM 23 N GLY A 4 25.734 -2.245 25.627 1.00 96.52 N +ATOM 24 CA GLY A 4 24.307 -2.475 25.481 1.00 96.39 C +ATOM 25 C GLY A 4 23.969 -3.199 24.189 1.00 96.52 C +ATOM 26 O GLY A 4 24.754 -3.181 23.240 1.00 96.65 O +ATOM 27 N ASN A 5 22.784 -3.838 24.136 1.00 94.20 N +ATOM 28 CA ASN A 5 22.347 -4.567 22.950 1.00 94.52 C +ATOM 29 C ASN A 5 21.943 -3.602 21.836 1.00 93.89 C +ATOM 30 O ASN A 5 21.504 -2.479 22.101 1.00 92.40 O +ATOM 31 CB ASN A 5 21.163 -5.475 23.286 1.00 91.95 C +ATOM 32 CG ASN A 5 21.513 -6.545 24.303 1.00 87.81 C +ATOM 33 OD1 ASN A 5 22.571 -7.163 24.232 1.00 83.21 O +ATOM 34 ND2 ASN A 5 20.621 -6.782 25.257 1.00 79.99 N +ATOM 35 N ARG A 6 22.081 -4.051 20.577 1.00 96.07 N +ATOM 36 CA ARG A 6 21.676 -3.243 19.429 1.00 96.04 C +ATOM 37 C ARG A 6 20.159 -3.081 19.429 1.00 95.50 C +ATOM 38 O ARG A 6 19.424 -3.993 19.789 1.00 92.61 O +ATOM 39 CB ARG A 6 22.150 -3.894 18.126 1.00 93.47 C +ATOM 40 CG ARG A 6 21.681 -3.154 16.870 1.00 86.29 C +ATOM 41 CD ARG A 6 22.239 -3.784 15.612 1.00 81.86 C +ATOM 42 NE ARG A 6 23.658 -3.511 15.435 1.00 75.38 N +ATOM 43 CZ ARG A 6 24.396 -3.998 14.444 1.00 70.34 C +ATOM 44 NH1 ARG A 6 23.861 -4.809 13.544 1.00 67.29 N +ATOM 45 NH2 ARG A 6 25.673 -3.677 14.346 1.00 65.94 N +ATOM 46 N GLY A 7 19.680 -1.923 19.019 1.00 93.59 N +ATOM 47 CA GLY A 7 18.255 -1.660 18.953 1.00 92.56 C +ATOM 48 C GLY A 7 17.548 -2.561 17.957 1.00 91.94 C +ATOM 49 O GLY A 7 18.168 -3.102 17.039 1.00 92.96 O +ATOM 50 N GLU A 8 16.226 -2.718 18.140 1.00 91.20 N +ATOM 51 CA GLU A 8 15.418 -3.555 17.251 1.00 92.53 C +ATOM 52 C GLU A 8 15.293 -2.920 15.874 1.00 90.93 C +ATOM 53 O GLU A 8 15.282 -1.699 15.736 1.00 89.06 O +ATOM 54 CB GLU A 8 14.022 -3.783 17.828 1.00 89.72 C +ATOM 55 CG GLU A 8 14.007 -4.603 19.101 1.00 81.39 C +ATOM 56 CD GLU A 8 12.589 -4.781 19.637 1.00 73.55 C +ATOM 57 OE1 GLU A 8 12.043 -3.798 20.172 1.00 69.01 O +ATOM 58 OE2 GLU A 8 12.043 -5.884 19.502 1.00 70.16 O +ATOM 59 N ARG A 9 15.168 -3.767 14.836 1.00 94.88 N +ATOM 60 CA ARG A 9 14.973 -3.284 13.471 1.00 94.78 C +ATOM 61 C ARG A 9 13.579 -2.686 13.344 1.00 93.99 C +ATOM 62 O ARG A 9 12.621 -3.193 13.924 1.00 91.27 O +ATOM 63 CB ARG A 9 15.154 -4.428 12.472 1.00 92.12 C +ATOM 64 CG ARG A 9 15.091 -3.985 11.018 1.00 86.37 C +ATOM 65 CD ARG A 9 15.359 -5.148 10.087 1.00 82.22 C +ATOM 66 NE ARG A 9 15.369 -4.744 8.691 1.00 75.12 N +ATOM 67 CZ ARG A 9 15.632 -5.558 7.674 1.00 70.50 C +ATOM 68 NH1 ARG A 9 15.904 -6.832 7.895 1.00 66.56 N +ATOM 69 NH2 ARG A 9 15.618 -5.088 6.445 1.00 66.20 N +ATOM 70 N GLY A 10 13.452 -1.614 12.593 1.00 93.88 N +ATOM 71 CA GLY A 10 12.164 -0.973 12.391 1.00 92.74 C +ATOM 72 C GLY A 10 11.174 -1.885 11.686 1.00 92.81 C +ATOM 73 O GLY A 10 11.563 -2.811 10.968 1.00 93.13 O +ATOM 74 N SER A 11 9.874 -1.622 11.880 1.00 93.52 N +ATOM 75 CA SER A 11 8.823 -2.429 11.266 1.00 93.92 C +ATOM 76 C SER A 11 8.721 -2.148 9.769 1.00 93.62 C +ATOM 77 O SER A 11 9.109 -1.087 9.285 1.00 91.89 O +ATOM 78 CB SER A 11 7.475 -2.146 11.935 1.00 91.60 C +ATOM 79 OG SER A 11 7.137 -0.783 11.832 1.00 87.54 O +ATOM 80 N GLU A 12 8.195 -3.130 9.018 1.00 94.70 N +ATOM 81 CA GLU A 12 8.016 -2.978 7.576 1.00 95.31 C +ATOM 82 C GLU A 12 6.926 -1.951 7.291 1.00 95.46 C +ATOM 83 O GLU A 12 5.948 -1.839 8.031 1.00 93.51 O +ATOM 84 CB GLU A 12 7.651 -4.333 6.943 1.00 92.81 C +ATOM 85 CG GLU A 12 7.581 -4.310 5.417 1.00 82.95 C +ATOM 86 CD GLU A 12 7.394 -5.693 4.816 1.00 78.17 C +ATOM 87 OE1 GLU A 12 7.176 -6.650 5.580 1.00 75.57 O +ATOM 88 OE2 GLU A 12 7.464 -5.810 3.578 1.00 75.96 O +ATOM 89 N GLY A 13 7.106 -1.189 6.219 1.00 96.99 N +ATOM 90 CA GLY A 13 6.134 -0.171 5.839 1.00 96.68 C +ATOM 91 C GLY A 13 4.792 -0.766 5.453 1.00 97.19 C +ATOM 92 O GLY A 13 4.707 -1.939 5.086 1.00 97.17 O +ATOM 93 N SER A 14 3.729 0.049 5.517 1.00 97.74 N +ATOM 94 CA SER A 14 2.380 -0.389 5.173 1.00 97.66 C +ATOM 95 C SER A 14 2.222 -0.534 3.666 1.00 98.00 C +ATOM 96 O SER A 14 2.935 0.093 2.892 1.00 97.87 O +ATOM 97 CB SER A 14 1.351 0.610 5.708 1.00 96.19 C +ATOM 98 OG SER A 14 1.589 1.901 5.195 1.00 90.47 O +HETATM 99 N HYP A 15 1.226 -1.344 3.212 1.00 97.34 N +HETATM 100 CA HYP A 15 0.946 -1.539 1.794 1.00 96.00 C +HETATM 101 C HYP A 15 0.474 -0.228 1.143 1.00 97.41 C +HETATM 102 O HYP A 15 -0.146 0.656 1.812 1.00 96.32 O +HETATM 103 CB HYP A 15 -0.235 -2.578 1.799 1.00 95.84 C +HETATM 104 CG HYP A 15 -0.044 -3.301 3.078 1.00 95.64 C +HETATM 105 CD HYP A 15 0.461 -2.258 4.027 1.00 96.10 C +HETATM 106 OD1 HYP A 15 0.898 -4.339 2.949 1.00 94.90 O +ATOM 107 N GLY A 16 0.753 -0.075 -0.142 1.00 98.22 N +ATOM 108 CA GLY A 16 0.313 1.098 -0.873 1.00 98.08 C +ATOM 109 C GLY A 16 -1.196 1.095 -1.059 1.00 98.27 C +ATOM 110 O GLY A 16 -1.864 0.083 -0.847 1.00 98.19 O +ATOM 111 N HIS A 17 -1.756 2.255 -1.478 1.00 98.47 N +ATOM 112 CA HIS A 17 -3.194 2.407 -1.715 1.00 98.36 C +ATOM 113 C HIS A 17 -3.615 1.639 -2.958 1.00 98.50 C +ATOM 114 O HIS A 17 -2.837 1.471 -3.890 1.00 98.37 O +ATOM 115 CB HIS A 17 -3.552 3.872 -1.880 1.00 97.61 C +ATOM 116 CG HIS A 17 -3.385 4.680 -0.630 1.00 94.85 C +ATOM 117 ND1 HIS A 17 -2.262 5.436 -0.381 1.00 87.47 N +ATOM 118 CD2 HIS A 17 -4.194 4.845 0.431 1.00 86.91 C +ATOM 119 CE1 HIS A 17 -2.397 6.026 0.786 1.00 89.23 C +ATOM 120 NE2 HIS A 17 -3.562 5.686 1.298 1.00 89.58 N +HETATM 121 N HYP A 18 -4.869 1.213 -3.014 1.00 97.73 N +HETATM 122 CA HYP A 18 -5.428 0.546 -4.187 1.00 96.93 C +HETATM 123 C HYP A 18 -5.472 1.510 -5.398 1.00 97.65 C +HETATM 124 O HYP A 18 -5.622 2.737 -5.216 1.00 96.42 O +HETATM 125 CB HYP A 18 -6.883 0.178 -3.767 1.00 96.39 C +HETATM 126 CG HYP A 18 -6.816 0.096 -2.255 1.00 96.32 C +HETATM 127 CD HYP A 18 -5.811 1.158 -1.868 1.00 97.11 C +HETATM 128 OD1 HYP A 18 -6.337 -1.157 -1.843 1.00 95.35 O +ATOM 129 N GLY A 19 -5.364 0.952 -6.580 1.00 98.17 N +ATOM 130 CA GLY A 19 -5.426 1.760 -7.778 1.00 97.86 C +ATOM 131 C GLY A 19 -6.806 2.368 -7.962 1.00 98.00 C +ATOM 132 O GLY A 19 -7.780 1.957 -7.327 1.00 97.96 O +ATOM 133 N GLN A 20 -6.903 3.370 -8.859 1.00 97.71 N +ATOM 134 CA GLN A 20 -8.166 4.035 -9.148 1.00 97.56 C +ATOM 135 C GLN A 20 -9.129 3.087 -9.842 1.00 97.71 C +ATOM 136 O GLN A 20 -8.712 2.203 -10.579 1.00 97.59 O +ATOM 137 CB GLN A 20 -7.939 5.241 -10.044 1.00 96.25 C +ATOM 138 CG GLN A 20 -7.182 6.366 -9.375 1.00 91.20 C +ATOM 139 CD GLN A 20 -7.001 7.530 -10.321 1.00 85.73 C +ATOM 140 OE1 GLN A 20 -6.205 7.465 -11.249 1.00 81.47 O +ATOM 141 NE2 GLN A 20 -7.760 8.594 -10.117 1.00 80.08 N +HETATM 142 N HYP A 21 -10.413 3.290 -9.649 1.00 97.14 N +HETATM 143 CA HYP A 21 -11.421 2.545 -10.370 1.00 96.74 C +HETATM 144 C HYP A 21 -11.378 2.859 -11.883 1.00 97.41 C +HETATM 145 O HYP A 21 -10.994 3.965 -12.279 1.00 96.90 O +HETATM 146 CB HYP A 21 -12.792 3.067 -9.798 1.00 95.89 C +HETATM 147 CG HYP A 21 -12.423 3.567 -8.404 1.00 94.87 C +HETATM 148 CD HYP A 21 -11.021 4.120 -8.577 1.00 96.70 C +HETATM 149 OD1 HYP A 21 -12.364 2.506 -7.481 1.00 94.46 O +ATOM 150 N GLY A 22 -11.765 1.884 -12.690 1.00 97.73 N +ATOM 151 CA GLY A 22 -11.792 2.092 -14.119 1.00 97.39 C +ATOM 152 C GLY A 22 -12.865 3.092 -14.506 1.00 97.74 C +ATOM 153 O GLY A 22 -13.706 3.468 -13.680 1.00 97.79 O +ATOM 154 N PRO A 23 -12.874 3.545 -15.770 1.00 97.41 N +ATOM 155 CA PRO A 23 -13.875 4.503 -16.231 1.00 97.47 C +ATOM 156 C PRO A 23 -15.257 3.871 -16.272 1.00 97.61 C +ATOM 157 O PRO A 23 -15.389 2.660 -16.376 1.00 97.20 O +ATOM 158 CB PRO A 23 -13.388 4.878 -17.626 1.00 96.00 C +ATOM 159 CG PRO A 23 -12.634 3.676 -18.072 1.00 94.15 C +ATOM 160 CD PRO A 23 -11.939 3.178 -16.827 1.00 96.60 C +HETATM 161 N HYP A 24 -16.312 4.708 -16.230 1.00 97.19 N +HETATM 162 CA HYP A 24 -17.662 4.229 -16.349 1.00 96.55 C +HETATM 163 C HYP A 24 -17.906 3.536 -17.690 1.00 96.88 C +HETATM 164 O HYP A 24 -17.298 3.889 -18.707 1.00 96.55 O +HETATM 165 CB HYP A 24 -18.521 5.534 -16.245 1.00 95.20 C +HETATM 166 CG HYP A 24 -17.659 6.495 -15.459 1.00 94.82 C +HETATM 167 CD HYP A 24 -16.234 6.143 -15.906 1.00 95.64 C +HETATM 168 OD1 HYP A 24 -17.749 6.258 -14.070 1.00 94.32 O +ATOM 169 N GLY A 25 -18.763 2.514 -17.669 1.00 97.34 N +ATOM 170 CA GLY A 25 -19.082 1.810 -18.886 1.00 97.15 C +ATOM 171 C GLY A 25 -19.839 2.702 -19.854 1.00 97.42 C +ATOM 172 O GLY A 25 -20.300 3.788 -19.491 1.00 97.50 O +ATOM 173 N PRO A 26 -20.001 2.266 -21.108 1.00 96.94 N +ATOM 174 CA PRO A 26 -20.717 3.052 -22.103 1.00 96.67 C +ATOM 175 C PRO A 26 -22.203 3.129 -21.775 1.00 96.94 C +ATOM 176 O PRO A 26 -22.735 2.281 -21.072 1.00 96.41 O +ATOM 177 CB PRO A 26 -20.469 2.299 -23.405 1.00 94.70 C +ATOM 178 CG PRO A 26 -20.252 0.896 -22.960 1.00 92.89 C +ATOM 179 CD PRO A 26 -19.499 1.011 -21.658 1.00 95.84 C +HETATM 180 N HYP A 27 -22.898 4.157 -22.292 1.00 96.36 N +HETATM 181 CA HYP A 27 -24.334 4.281 -22.109 1.00 94.68 C +HETATM 182 C HYP A 27 -25.085 3.094 -22.669 1.00 95.78 C +HETATM 183 O HYP A 27 -24.676 2.493 -23.659 1.00 95.15 O +HETATM 184 CB HYP A 27 -24.647 5.590 -22.932 1.00 94.30 C +HETATM 185 CG HYP A 27 -23.349 6.402 -22.925 1.00 93.69 C +HETATM 186 CD HYP A 27 -22.279 5.332 -22.999 1.00 94.99 C +HETATM 187 OD1 HYP A 27 -23.208 7.123 -21.719 1.00 92.73 O +ATOM 188 N GLY A 28 -26.214 2.749 -22.026 1.00 95.78 N +ATOM 189 CA GLY A 28 -27.026 1.658 -22.493 1.00 95.42 C +ATOM 190 C GLY A 28 -27.626 1.952 -23.852 1.00 96.04 C +ATOM 191 O GLY A 28 -27.659 3.100 -24.305 1.00 96.03 O +ATOM 192 N ALA A 29 -28.115 0.923 -24.524 1.00 96.04 N +ATOM 193 CA ALA A 29 -28.724 1.068 -25.832 1.00 95.96 C +ATOM 194 C ALA A 29 -30.020 1.852 -25.733 1.00 96.16 C +ATOM 195 O ALA A 29 -30.743 1.743 -24.751 1.00 94.86 O +ATOM 196 CB ALA A 29 -28.975 -0.294 -26.438 1.00 92.77 C +HETATM 197 N HYP A 30 -30.358 2.647 -26.793 1.00 92.25 N +HETATM 198 CA HYP A 30 -31.585 3.400 -26.797 1.00 93.88 C +HETATM 199 C HYP A 30 -32.781 2.489 -26.805 1.00 91.28 C +HETATM 200 O HYP A 30 -32.765 1.434 -27.442 1.00 90.36 O +HETATM 201 CB HYP A 30 -31.533 4.216 -28.143 1.00 91.42 C +HETATM 202 CG HYP A 30 -30.103 4.298 -28.503 1.00 90.05 C +HETATM 203 CD HYP A 30 -29.508 3.012 -27.962 1.00 92.14 C +HETATM 204 OD1 HYP A 30 -29.489 5.402 -27.867 1.00 89.84 O +ATOM 205 N GLY A 31 -33.888 2.929 -26.084 1.00 92.67 N +ATOM 206 CA GLY A 31 -35.118 2.175 -26.083 1.00 91.36 C +ATOM 207 C GLY A 31 -35.759 2.216 -27.467 1.00 90.51 C +ATOM 208 O GLY A 31 -35.512 3.137 -28.251 1.00 87.70 O +ATOM 209 N VAL A 32 -36.589 1.228 -27.777 1.00 92.24 N +ATOM 210 CA VAL A 32 -37.273 1.143 -29.073 1.00 90.01 C +ATOM 211 C VAL A 32 -38.790 1.111 -28.891 1.00 85.15 C +ATOM 212 O VAL A 32 -39.514 1.169 -29.892 1.00 80.04 O +ATOM 213 CB VAL A 32 -36.810 -0.091 -29.875 1.00 83.04 C +ATOM 214 CG1 VAL A 32 -35.355 0.052 -30.249 1.00 73.02 C +ATOM 215 CG2 VAL A 32 -37.020 -1.366 -29.068 1.00 74.51 C +ATOM 216 OXT VAL A 32 -39.290 1.059 -27.755 1.00 71.88 O +TER 217 VAL A 32 +END diff --git a/protein_pdb_627.txt b/protein_pdb_627.txt new file mode 100644 index 0000000000000000000000000000000000000000..bb34526930abf964edc4d0a148b8f7b9ee5104a6 --- /dev/null +++ b/protein_pdb_627.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 6.873 -1.930 -6.672 1.00 71.31 N +ATOM 2 CA GLY A 1 5.616 -1.343 -7.109 1.00 74.84 C +ATOM 3 C GLY A 1 5.271 -0.133 -6.276 1.00 76.53 C +ATOM 4 O GLY A 1 6.008 0.229 -5.361 1.00 72.40 O +ATOM 5 N PRO A 2 4.141 0.502 -6.582 1.00 72.51 N +ATOM 6 CA PRO A 2 3.736 1.694 -5.850 1.00 75.29 C +ATOM 7 C PRO A 2 3.338 1.381 -4.420 1.00 75.83 C +ATOM 8 O PRO A 2 3.054 0.248 -4.066 1.00 72.62 O +ATOM 9 CB PRO A 2 2.539 2.222 -6.646 1.00 72.19 C +ATOM 10 CG PRO A 2 2.044 1.060 -7.418 1.00 67.08 C +ATOM 11 CD PRO A 2 3.199 0.135 -7.628 1.00 66.60 C +HETATM 12 N HYP A 3 3.349 2.364 -3.605 1.00 75.77 N +HETATM 13 CA HYP A 3 2.871 2.273 -2.226 1.00 77.05 C +HETATM 14 C HYP A 3 1.443 1.811 -2.155 1.00 74.05 C +HETATM 15 O HYP A 3 0.655 2.026 -3.121 1.00 78.30 O +HETATM 16 CB HYP A 3 3.007 3.748 -1.780 1.00 73.98 C +HETATM 17 CG HYP A 3 4.106 4.316 -2.648 1.00 71.46 C +HETATM 18 CD HYP A 3 3.812 3.667 -3.995 1.00 75.36 C +HETATM 19 OD1 HYP A 3 5.370 3.916 -2.192 1.00 74.52 O +ATOM 20 N GLY A 4 1.083 1.135 -1.136 1.00 78.50 N +ATOM 21 CA GLY A 4 -0.252 0.627 -0.997 1.00 77.45 C +ATOM 22 C GLY A 4 -1.261 1.747 -0.837 1.00 77.74 C +ATOM 23 O GLY A 4 -0.897 2.917 -0.703 1.00 75.53 O +ATOM 24 N PRO A 5 -2.532 1.382 -0.848 1.00 78.40 N +ATOM 25 CA PRO A 5 -3.592 2.375 -0.733 1.00 78.78 C +ATOM 26 C PRO A 5 -3.716 2.927 0.675 1.00 78.81 C +ATOM 27 O PRO A 5 -3.167 2.388 1.628 1.00 76.26 O +ATOM 28 CB PRO A 5 -4.842 1.597 -1.138 1.00 75.30 C +ATOM 29 CG PRO A 5 -4.521 0.176 -0.856 1.00 73.11 C +ATOM 30 CD PRO A 5 -3.037 0.032 -1.029 1.00 74.67 C +HETATM 31 N HYP A 6 -4.458 3.997 0.802 1.00 77.49 N +HETATM 32 CA HYP A 6 -4.775 4.608 2.085 1.00 81.35 C +HETATM 33 C HYP A 6 -5.537 3.656 2.984 1.00 77.56 C +HETATM 34 O HYP A 6 -6.174 2.717 2.500 1.00 78.92 O +HETATM 35 CB HYP A 6 -5.650 5.785 1.656 1.00 73.91 C +HETATM 36 CG HYP A 6 -5.129 6.163 0.289 1.00 75.06 C +HETATM 37 CD HYP A 6 -4.867 4.817 -0.319 1.00 79.20 C +HETATM 38 OD1 HYP A 6 -3.941 6.909 0.378 1.00 73.27 O +ATOM 39 N GLY A 7 -5.474 3.876 4.250 1.00 77.21 N +ATOM 40 CA GLY A 7 -6.113 3.016 5.215 1.00 75.36 C +ATOM 41 C GLY A 7 -7.629 3.023 5.110 1.00 76.12 C +ATOM 42 O GLY A 7 -8.206 3.612 4.192 1.00 74.44 O +ATOM 43 N PRO A 8 -8.272 2.370 6.074 1.00 76.52 N +ATOM 44 CA PRO A 8 -9.730 2.236 6.067 1.00 77.96 C +ATOM 45 C PRO A 8 -10.454 3.569 6.117 1.00 77.71 C +ATOM 46 O PRO A 8 -9.899 4.582 6.514 1.00 74.78 O +ATOM 47 CB PRO A 8 -10.035 1.419 7.324 1.00 74.71 C +ATOM 48 CG PRO A 8 -8.746 0.978 7.882 1.00 74.36 C +ATOM 49 CD PRO A 8 -7.640 1.742 7.221 1.00 75.89 C +HETATM 50 N HYP A 9 -11.728 3.521 5.722 1.00 73.47 N +HETATM 51 CA HYP A 9 -12.618 4.638 5.787 1.00 76.89 C +HETATM 52 C HYP A 9 -12.664 5.242 7.104 1.00 74.75 C +HETATM 53 O HYP A 9 -12.647 4.507 8.108 1.00 75.12 O +HETATM 54 CB HYP A 9 -13.942 4.082 5.309 1.00 73.48 C +HETATM 55 CG HYP A 9 -13.551 2.952 4.383 1.00 72.50 C +HETATM 56 CD HYP A 9 -12.318 2.402 5.018 1.00 74.38 C +HETATM 57 OD1 HYP A 9 -13.228 3.413 3.102 1.00 69.68 O +ATOM 58 N GLY A 10 -12.687 6.594 7.181 1.00 75.13 N +ATOM 59 CA GLY A 10 -12.752 7.334 8.417 1.00 72.63 C +ATOM 60 C GLY A 10 -11.446 7.327 9.188 1.00 72.25 C +ATOM 61 O GLY A 10 -11.354 7.945 10.245 1.00 70.26 O +ATOM 62 N LEU A 11 -10.465 6.638 8.708 1.00 77.29 N +ATOM 63 CA LEU A 11 -9.186 6.416 9.372 1.00 80.36 C +ATOM 64 C LEU A 11 -8.120 6.216 8.314 1.00 80.65 C +ATOM 65 O LEU A 11 -7.685 5.086 8.086 1.00 77.01 O +ATOM 66 CB LEU A 11 -9.231 5.139 10.200 1.00 76.68 C +ATOM 67 CG LEU A 11 -9.759 5.154 11.611 1.00 71.08 C +ATOM 68 CD1 LEU A 11 -9.945 3.716 12.062 1.00 69.11 C +ATOM 69 CD2 LEU A 11 -8.785 5.870 12.538 1.00 66.00 C +ATOM 70 N ASP A 12 -7.703 7.250 7.650 1.00 77.70 N +ATOM 71 CA ASP A 12 -6.662 7.071 6.640 1.00 78.56 C +ATOM 72 C ASP A 12 -5.403 6.610 7.345 1.00 79.83 C +ATOM 73 O ASP A 12 -4.871 7.308 8.196 1.00 75.38 O +ATOM 74 CB ASP A 12 -6.384 8.366 5.880 1.00 74.22 C +ATOM 75 CG ASP A 12 -7.366 8.620 4.753 1.00 69.02 C +ATOM 76 OD1 ASP A 12 -8.249 7.782 4.516 1.00 66.90 O +ATOM 77 OD2 ASP A 12 -7.231 9.680 4.105 1.00 64.66 O +ATOM 78 N GLY A 13 -4.970 5.433 7.000 1.00 77.56 N +ATOM 79 CA GLY A 13 -3.751 4.914 7.583 1.00 76.71 C +ATOM 80 C GLY A 13 -2.573 5.267 6.703 1.00 78.44 C +ATOM 81 O GLY A 13 -2.726 5.906 5.665 1.00 77.21 O +ATOM 82 N PRO A 14 -1.386 4.873 7.118 1.00 76.33 N +ATOM 83 CA PRO A 14 -0.222 5.117 6.279 1.00 76.97 C +ATOM 84 C PRO A 14 -0.343 4.321 4.998 1.00 77.91 C +ATOM 85 O PRO A 14 -1.057 3.321 4.935 1.00 74.36 O +ATOM 86 CB PRO A 14 0.957 4.633 7.126 1.00 73.62 C +ATOM 87 CG PRO A 14 0.378 3.746 8.158 1.00 72.16 C +ATOM 88 CD PRO A 14 -1.045 4.162 8.353 1.00 71.82 C +HETATM 89 N HYP A 15 0.316 4.750 3.995 1.00 76.37 N +HETATM 90 CA HYP A 15 0.367 4.015 2.751 1.00 81.16 C +HETATM 91 C HYP A 15 0.935 2.647 2.960 1.00 79.38 C +HETATM 92 O HYP A 15 1.741 2.472 3.900 1.00 78.49 O +HETATM 93 CB HYP A 15 1.233 4.940 1.894 1.00 77.59 C +HETATM 94 CG HYP A 15 0.987 6.322 2.504 1.00 76.58 C +HETATM 95 CD HYP A 15 0.924 6.025 3.975 1.00 79.56 C +HETATM 96 OD1 HYP A 15 -0.214 6.871 2.050 1.00 77.65 O +ATOM 97 N GLY A 16 0.501 1.726 2.197 1.00 76.53 N +ATOM 98 CA GLY A 16 1.009 0.389 2.306 1.00 74.95 C +ATOM 99 C GLY A 16 2.458 0.343 1.862 1.00 76.44 C +ATOM 100 O GLY A 16 2.998 1.317 1.343 1.00 75.35 O +ATOM 101 N PRO A 17 3.086 -0.796 2.080 1.00 76.01 N +ATOM 102 CA PRO A 17 4.479 -0.926 1.687 1.00 77.25 C +ATOM 103 C PRO A 17 4.640 -0.925 0.181 1.00 77.33 C +ATOM 104 O PRO A 17 3.717 -1.251 -0.556 1.00 75.52 O +ATOM 105 CB PRO A 17 4.917 -2.259 2.294 1.00 75.11 C +ATOM 106 CG PRO A 17 3.676 -2.986 2.620 1.00 73.16 C +ATOM 107 CD PRO A 17 2.553 -1.998 2.707 1.00 72.43 C +HETATM 108 N HYP A 18 5.822 -0.593 -0.275 1.00 75.69 N +HETATM 109 CA HYP A 18 6.113 -0.631 -1.663 1.00 79.56 C +HETATM 110 C HYP A 18 6.035 -2.062 -2.194 1.00 75.37 C +HETATM 111 O HYP A 18 6.291 -3.020 -1.437 1.00 80.57 O +HETATM 112 CB HYP A 18 7.591 -0.185 -1.696 1.00 74.09 C +HETATM 113 CG HYP A 18 7.764 0.679 -0.465 1.00 72.56 C +HETATM 114 CD HYP A 18 6.884 -0.015 0.522 1.00 80.99 C +HETATM 115 OD1 HYP A 18 7.273 1.988 -0.702 1.00 76.85 O +ATOM 116 N GLY A 19 5.632 -2.203 -3.405 1.00 79.64 N +ATOM 117 CA GLY A 19 5.558 -3.505 -4.005 1.00 78.27 C +ATOM 118 C GLY A 19 6.949 -4.063 -4.226 1.00 79.24 C +ATOM 119 O GLY A 19 7.952 -3.379 -4.036 1.00 78.04 O +ATOM 120 N PRO A 20 7.004 -5.314 -4.635 1.00 73.30 N +ATOM 121 CA PRO A 20 8.295 -5.936 -4.881 1.00 74.57 C +ATOM 122 C PRO A 20 8.998 -5.307 -6.067 1.00 73.94 C +ATOM 123 O PRO A 20 8.385 -4.630 -6.883 1.00 71.63 O +ATOM 124 CB PRO A 20 7.957 -7.407 -5.151 1.00 71.25 C +ATOM 125 CG PRO A 20 6.490 -7.480 -5.307 1.00 68.29 C +ATOM 126 CD PRO A 20 5.876 -6.188 -4.872 1.00 68.55 C +HETATM 127 N HYP A 21 10.281 -5.527 -6.160 1.00 78.96 N +HETATM 128 CA HYP A 21 11.042 -5.062 -7.288 1.00 79.09 C +HETATM 129 C HYP A 21 10.486 -5.569 -8.611 1.00 75.35 C +HETATM 130 O HYP A 21 9.975 -6.684 -8.657 1.00 80.78 O +HETATM 131 CB HYP A 21 12.411 -5.657 -7.023 1.00 75.16 C +HETATM 132 CG HYP A 21 12.489 -5.790 -5.506 1.00 72.64 C +HETATM 133 CD HYP A 21 11.093 -6.179 -5.138 1.00 80.13 C +HETATM 134 OD1 HYP A 21 12.769 -4.539 -4.876 1.00 78.26 O +ATOM 135 N GLY A 22 10.484 -4.749 -9.650 1.00 74.24 N +ATOM 136 CA GLY A 22 9.972 -5.119 -10.937 1.00 72.15 C +ATOM 137 C GLY A 22 10.818 -6.204 -11.577 1.00 72.44 C +ATOM 138 O GLY A 22 11.875 -6.567 -11.058 1.00 70.65 O +ATOM 139 N PRO A 23 10.359 -6.707 -12.702 1.00 71.00 N +ATOM 140 CA PRO A 23 11.105 -7.758 -13.379 1.00 74.25 C +ATOM 141 C PRO A 23 12.401 -7.225 -13.951 1.00 73.30 C +ATOM 142 O PRO A 23 12.536 -6.038 -14.225 1.00 69.50 O +ATOM 143 CB PRO A 23 10.155 -8.230 -14.476 1.00 68.28 C +ATOM 144 CG PRO A 23 9.267 -7.064 -14.734 1.00 62.58 C +ATOM 145 CD PRO A 23 9.157 -6.330 -13.419 1.00 63.80 C +HETATM 146 N HYP A 24 13.326 -8.033 -14.204 1.00 77.87 N +HETATM 147 CA HYP A 24 14.612 -7.560 -14.753 1.00 71.53 C +HETATM 148 C HYP A 24 14.376 -6.869 -16.074 1.00 70.25 C +HETATM 149 O HYP A 24 15.116 -5.970 -16.389 1.00 75.19 O +HETATM 150 CB HYP A 24 15.361 -8.904 -14.997 1.00 69.38 C +HETATM 151 CG HYP A 24 14.723 -9.950 -14.153 1.00 69.91 C +HETATM 152 CD HYP A 24 13.271 -9.489 -14.021 1.00 77.22 C +HETATM 153 OD1 HYP A 24 15.293 -9.934 -12.850 1.00 74.92 O +HETATM 154 OXT HYP A 24 13.443 -7.277 -16.806 1.00 70.41 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_628.txt b/protein_pdb_628.txt new file mode 100644 index 0000000000000000000000000000000000000000..e9838f375527296a514cb2abb8b5dea4e7c6280c --- /dev/null +++ b/protein_pdb_628.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 14.498 -1.819 -3.125 1.00 92.30 N +ATOM 2 CA GLY A 1 13.501 -0.953 -3.648 1.00 93.03 C +ATOM 3 C GLY A 1 12.726 -0.213 -2.581 1.00 93.62 C +ATOM 4 O GLY A 1 12.762 -0.580 -1.410 1.00 92.24 O +ATOM 5 N PRO A 2 12.028 0.798 -2.975 1.00 92.32 N +ATOM 6 CA PRO A 2 11.244 1.586 -2.039 1.00 92.68 C +ATOM 7 C PRO A 2 9.968 0.875 -1.633 1.00 92.64 C +ATOM 8 O PRO A 2 9.578 -0.118 -2.242 1.00 90.86 O +ATOM 9 CB PRO A 2 10.947 2.855 -2.838 1.00 89.74 C +ATOM 10 CG PRO A 2 10.873 2.362 -4.239 1.00 86.60 C +ATOM 11 CD PRO A 2 11.952 1.313 -4.337 1.00 89.90 C +HETATM 12 N HYP A 3 9.346 1.428 -0.597 1.00 93.56 N +HETATM 13 CA HYP A 3 8.083 0.846 -0.180 1.00 92.05 C +HETATM 14 C HYP A 3 7.037 0.956 -1.269 1.00 94.28 C +HETATM 15 O HYP A 3 7.058 1.926 -2.057 1.00 94.13 O +HETATM 16 CB HYP A 3 7.649 1.805 0.995 1.00 90.32 C +HETATM 17 CG HYP A 3 8.969 2.321 1.545 1.00 86.62 C +HETATM 18 CD HYP A 3 9.808 2.507 0.239 1.00 90.77 C +HETATM 19 OD1 HYP A 3 9.526 1.304 2.304 1.00 90.23 O +ATOM 20 N GLY A 4 6.223 -0.073 -1.356 1.00 94.12 N +ATOM 21 CA GLY A 4 5.166 -0.066 -2.332 1.00 93.39 C +ATOM 22 C GLY A 4 4.113 0.966 -1.970 1.00 94.01 C +ATOM 23 O GLY A 4 4.090 1.488 -0.857 1.00 94.33 O +ATOM 24 N PRO A 5 3.226 1.280 -2.912 1.00 94.02 N +ATOM 25 CA PRO A 5 2.177 2.255 -2.659 1.00 93.88 C +ATOM 26 C PRO A 5 1.129 1.702 -1.704 1.00 93.63 C +ATOM 27 O PRO A 5 1.055 0.503 -1.472 1.00 92.84 O +ATOM 28 CB PRO A 5 1.595 2.515 -4.046 1.00 92.70 C +ATOM 29 CG PRO A 5 1.812 1.219 -4.747 1.00 90.92 C +ATOM 30 CD PRO A 5 3.146 0.736 -4.264 1.00 92.99 C +HETATM 31 N HYP A 6 0.340 2.645 -1.130 1.00 93.38 N +HETATM 32 CA HYP A 6 -0.748 2.187 -0.294 1.00 94.05 C +HETATM 33 C HYP A 6 -1.676 1.292 -1.028 1.00 93.58 C +HETATM 34 O HYP A 6 -1.889 1.466 -2.264 1.00 93.25 O +HETATM 35 CB HYP A 6 -1.465 3.521 0.079 1.00 88.72 C +HETATM 36 CG HYP A 6 -0.391 4.554 -0.018 1.00 88.41 C +HETATM 37 CD HYP A 6 0.416 4.087 -1.218 1.00 91.14 C +HETATM 38 OD1 HYP A 6 0.411 4.504 1.142 1.00 89.24 O +ATOM 39 N GLY A 7 -2.189 0.300 -0.348 1.00 92.51 N +ATOM 40 CA GLY A 7 -3.134 -0.601 -0.949 1.00 92.06 C +ATOM 41 C GLY A 7 -4.400 0.138 -1.331 1.00 92.93 C +ATOM 42 O GLY A 7 -4.655 1.252 -0.872 1.00 92.85 O +ATOM 43 N PRO A 8 -5.208 -0.462 -2.185 1.00 93.01 N +ATOM 44 CA PRO A 8 -6.443 0.180 -2.607 1.00 93.15 C +ATOM 45 C PRO A 8 -7.471 0.210 -1.491 1.00 93.41 C +ATOM 46 O PRO A 8 -7.397 -0.567 -0.545 1.00 92.24 O +ATOM 47 CB PRO A 8 -6.905 -0.677 -3.780 1.00 91.39 C +ATOM 48 CG PRO A 8 -6.376 -2.023 -3.439 1.00 89.72 C +ATOM 49 CD PRO A 8 -5.028 -1.760 -2.813 1.00 92.08 C +HETATM 50 N HYP A 9 -8.432 1.127 -1.618 1.00 91.75 N +HETATM 51 CA HYP A 9 -9.498 1.173 -0.679 1.00 92.17 C +HETATM 52 C HYP A 9 -10.330 -0.071 -0.741 1.00 93.37 C +HETATM 53 O HYP A 9 -10.550 -0.624 -1.818 1.00 92.40 O +HETATM 54 CB HYP A 9 -10.366 2.367 -1.196 1.00 88.86 C +HETATM 55 CG HYP A 9 -9.426 3.216 -1.955 1.00 86.78 C +HETATM 56 CD HYP A 9 -8.477 2.256 -2.568 1.00 90.78 C +HETATM 57 OD1 HYP A 9 -8.723 4.027 -1.047 1.00 86.60 O +ATOM 58 N GLY A 10 -10.776 -0.602 0.379 1.00 91.17 N +ATOM 59 CA GLY A 10 -11.706 -1.703 0.395 1.00 89.03 C +ATOM 60 C GLY A 10 -13.076 -1.196 -0.011 1.00 89.71 C +ATOM 61 O GLY A 10 -13.246 -0.029 -0.378 1.00 88.89 O +ATOM 62 N ALA A 11 -14.061 -2.053 0.071 1.00 91.05 N +ATOM 63 CA ALA A 11 -15.414 -1.633 -0.265 1.00 91.79 C +ATOM 64 C ALA A 11 -15.858 -0.481 0.636 1.00 92.38 C +ATOM 65 O ALA A 11 -16.696 0.336 0.249 1.00 89.25 O +ATOM 66 CB ALA A 11 -16.368 -2.806 -0.129 1.00 89.36 C +ATOM 67 N TRP A 12 -15.292 -0.440 1.839 1.00 93.66 N +ATOM 68 CA TRP A 12 -15.588 0.620 2.803 1.00 93.83 C +ATOM 69 C TRP A 12 -14.400 0.913 3.704 1.00 93.76 C +ATOM 70 O TRP A 12 -14.393 1.913 4.413 1.00 91.59 O +ATOM 71 CB TRP A 12 -16.798 0.234 3.660 1.00 93.07 C +ATOM 72 CG TRP A 12 -16.933 -1.240 3.882 1.00 89.00 C +ATOM 73 CD1 TRP A 12 -17.810 -2.073 3.251 1.00 88.46 C +ATOM 74 CD2 TRP A 12 -16.174 -2.072 4.760 1.00 88.54 C +ATOM 75 NE1 TRP A 12 -17.643 -3.366 3.669 1.00 82.91 N +ATOM 76 CE2 TRP A 12 -16.638 -3.397 4.603 1.00 87.15 C +ATOM 77 CE3 TRP A 12 -15.134 -1.830 5.661 1.00 84.60 C +ATOM 78 CZ2 TRP A 12 -16.093 -4.467 5.313 1.00 88.39 C +ATOM 79 CZ3 TRP A 12 -14.598 -2.885 6.370 1.00 82.18 C +ATOM 80 CH2 TRP A 12 -15.075 -4.180 6.191 1.00 81.15 C +ATOM 81 N GLY A 13 -13.423 0.046 3.697 1.00 94.81 N +ATOM 82 CA GLY A 13 -12.274 0.200 4.561 1.00 94.32 C +ATOM 83 C GLY A 13 -11.242 1.179 4.037 1.00 95.03 C +ATOM 84 O GLY A 13 -11.309 1.626 2.895 1.00 94.68 O +ATOM 85 N PRO A 14 -10.268 1.529 4.883 1.00 95.64 N +ATOM 86 CA PRO A 14 -9.219 2.465 4.500 1.00 95.68 C +ATOM 87 C PRO A 14 -8.208 1.813 3.571 1.00 95.70 C +ATOM 88 O PRO A 14 -8.194 0.600 3.397 1.00 95.07 O +ATOM 89 CB PRO A 14 -8.583 2.841 5.832 1.00 94.39 C +ATOM 90 CG PRO A 14 -8.746 1.607 6.649 1.00 93.00 C +ATOM 91 CD PRO A 14 -10.101 1.069 6.262 1.00 94.20 C +HETATM 92 N HYP A 15 -7.346 2.671 2.981 1.00 94.48 N +HETATM 93 CA HYP A 15 -6.289 2.148 2.154 1.00 94.47 C +HETATM 94 C HYP A 15 -5.378 1.231 2.923 1.00 95.28 C +HETATM 95 O HYP A 15 -5.206 1.423 4.149 1.00 94.38 O +HETATM 96 CB HYP A 15 -5.504 3.437 1.774 1.00 90.64 C +HETATM 97 CG HYP A 15 -6.546 4.512 1.838 1.00 89.17 C +HETATM 98 CD HYP A 15 -7.376 4.120 3.049 1.00 92.50 C +HETATM 99 OD1 HYP A 15 -7.318 4.483 0.680 1.00 90.07 O +ATOM 100 N GLY A 16 -4.867 0.236 2.256 1.00 95.31 N +ATOM 101 CA GLY A 16 -3.941 -0.656 2.890 1.00 94.77 C +ATOM 102 C GLY A 16 -2.632 0.058 3.176 1.00 95.20 C +ATOM 103 O GLY A 16 -2.380 1.147 2.659 1.00 94.89 O +ATOM 104 N PRO A 17 -1.786 -0.549 3.998 1.00 93.91 N +ATOM 105 CA PRO A 17 -0.501 0.058 4.321 1.00 93.78 C +ATOM 106 C PRO A 17 0.437 0.010 3.120 1.00 94.01 C +ATOM 107 O PRO A 17 0.202 -0.727 2.171 1.00 93.28 O +ATOM 108 CB PRO A 17 0.012 -0.795 5.475 1.00 92.70 C +ATOM 109 CG PRO A 17 -0.597 -2.127 5.204 1.00 90.70 C +ATOM 110 CD PRO A 17 -1.973 -1.822 4.677 1.00 92.19 C +HETATM 111 N HYP A 18 1.499 0.832 3.189 1.00 90.57 N +HETATM 112 CA HYP A 18 2.480 0.747 2.158 1.00 89.25 C +HETATM 113 C HYP A 18 3.056 -0.623 2.026 1.00 91.18 C +HETATM 114 O HYP A 18 3.172 -1.342 3.039 1.00 91.22 O +HETATM 115 CB HYP A 18 3.569 1.742 2.617 1.00 85.63 C +HETATM 116 CG HYP A 18 2.827 2.737 3.451 1.00 84.86 C +HETATM 117 CD HYP A 18 1.811 1.847 4.160 1.00 90.03 C +HETATM 118 OD1 HYP A 18 2.148 3.654 2.616 1.00 86.63 O +ATOM 119 N GLY A 19 3.339 -1.039 0.824 1.00 88.82 N +ATOM 120 CA GLY A 19 3.927 -2.326 0.594 1.00 88.65 C +ATOM 121 C GLY A 19 5.322 -2.384 1.190 1.00 88.92 C +ATOM 122 O GLY A 19 5.917 -1.357 1.508 1.00 90.55 O +ATOM 123 N PRO A 20 5.858 -3.585 1.343 1.00 87.50 N +ATOM 124 CA PRO A 20 7.194 -3.722 1.893 1.00 88.09 C +ATOM 125 C PRO A 20 8.250 -3.228 0.920 1.00 87.82 C +ATOM 126 O PRO A 20 7.996 -3.102 -0.271 1.00 88.56 O +ATOM 127 CB PRO A 20 7.311 -5.225 2.148 1.00 85.98 C +ATOM 128 CG PRO A 20 6.426 -5.812 1.110 1.00 83.82 C +ATOM 129 CD PRO A 20 5.261 -4.865 1.014 1.00 86.28 C +HETATM 130 N HYP A 21 9.422 -2.945 1.469 1.00 89.45 N +HETATM 131 CA HYP A 21 10.520 -2.566 0.591 1.00 89.68 C +HETATM 132 C HYP A 21 10.836 -3.620 -0.442 1.00 91.19 C +HETATM 133 O HYP A 21 10.732 -4.812 -0.138 1.00 91.29 O +HETATM 134 CB HYP A 21 11.702 -2.392 1.555 1.00 85.94 C +HETATM 135 CG HYP A 21 11.084 -2.083 2.896 1.00 83.36 C +HETATM 136 CD HYP A 21 9.807 -2.917 2.879 1.00 88.46 C +HETATM 137 OD1 HYP A 21 10.715 -0.705 2.919 1.00 84.33 O +ATOM 138 N GLY A 22 11.142 -3.194 -1.625 1.00 90.12 N +ATOM 139 CA GLY A 22 11.510 -4.108 -2.661 1.00 88.35 C +ATOM 140 C GLY A 22 12.891 -4.690 -2.382 1.00 88.50 C +ATOM 141 O GLY A 22 13.552 -4.300 -1.420 1.00 89.12 O +ATOM 142 N PRO A 23 13.372 -5.612 -3.208 1.00 91.14 N +ATOM 143 CA PRO A 23 14.686 -6.204 -3.017 1.00 90.95 C +ATOM 144 C PRO A 23 15.773 -5.210 -3.409 1.00 89.44 C +ATOM 145 O PRO A 23 16.106 -5.079 -4.579 1.00 85.73 O +ATOM 146 CB PRO A 23 14.661 -7.424 -3.927 1.00 88.03 C +ATOM 147 CG PRO A 23 13.726 -7.027 -5.017 1.00 85.31 C +ATOM 148 CD PRO A 23 12.685 -6.161 -4.363 1.00 89.40 C +HETATM 149 N HYP A 24 16.226 -4.403 -2.539 1.00 94.65 N +HETATM 150 CA HYP A 24 16.880 -3.070 -2.829 1.00 90.24 C +HETATM 151 C HYP A 24 16.037 -1.980 -3.126 1.00 94.98 C +HETATM 152 O HYP A 24 16.331 -1.327 -4.243 1.00 93.61 O +HETATM 153 CB HYP A 24 17.830 -2.862 -1.691 1.00 89.16 C +HETATM 154 CG HYP A 24 18.016 -4.228 -0.990 1.00 87.65 C +HETATM 155 CD HYP A 24 16.949 -5.145 -1.598 1.00 91.08 C +HETATM 156 OD1 HYP A 24 19.274 -4.769 -1.274 1.00 88.31 O +HETATM 157 OXT HYP A 24 15.896 -0.915 -2.197 1.00 88.78 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_629.txt b/protein_pdb_629.txt new file mode 100644 index 0000000000000000000000000000000000000000..2e7fcd6505d542f26340ea3325ba0ed928d8228b --- /dev/null +++ b/protein_pdb_629.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 22.484 -22.134 13.111 1.00 86.54 N +ATOM 2 CA GLY A 1 22.900 -21.308 11.977 1.00 87.81 C +ATOM 3 C GLY A 1 22.488 -19.867 12.175 1.00 88.60 C +ATOM 4 O GLY A 1 21.775 -19.539 13.114 1.00 85.54 O +ATOM 5 N PRO A 2 22.925 -18.966 11.309 1.00 89.94 N +ATOM 6 CA PRO A 2 22.571 -17.553 11.427 1.00 92.05 C +ATOM 7 C PRO A 2 21.099 -17.322 11.138 1.00 92.13 C +ATOM 8 O PRO A 2 20.438 -18.138 10.514 1.00 89.84 O +ATOM 9 CB PRO A 2 23.458 -16.860 10.385 1.00 90.00 C +ATOM 10 CG PRO A 2 23.701 -17.924 9.372 1.00 87.02 C +ATOM 11 CD PRO A 2 23.773 -19.218 10.143 1.00 88.57 C +HETATM 12 N HYP A 3 20.613 -16.253 11.620 1.00 93.15 N +HETATM 13 CA HYP A 3 19.221 -15.820 11.315 1.00 92.18 C +HETATM 14 C HYP A 3 18.950 -15.713 9.844 1.00 93.58 C +HETATM 15 O HYP A 3 19.822 -15.295 9.056 1.00 91.77 O +HETATM 16 CB HYP A 3 19.147 -14.464 12.006 1.00 92.71 C +HETATM 17 CG HYP A 3 20.188 -14.496 13.078 1.00 90.89 C +HETATM 18 CD HYP A 3 21.306 -15.337 12.448 1.00 92.17 C +HETATM 19 OD1 HYP A 3 19.704 -15.173 14.207 1.00 90.40 O +ATOM 20 N GLY A 4 17.704 -16.098 9.447 1.00 92.41 N +ATOM 21 CA GLY A 4 17.304 -15.985 8.068 1.00 91.57 C +ATOM 22 C GLY A 4 17.064 -14.533 7.688 1.00 91.50 C +ATOM 23 O GLY A 4 17.059 -13.648 8.552 1.00 90.10 O +ATOM 24 N PRO A 5 16.861 -14.272 6.418 1.00 93.44 N +ATOM 25 CA PRO A 5 16.626 -12.896 5.972 1.00 93.29 C +ATOM 26 C PRO A 5 15.246 -12.411 6.399 1.00 93.20 C +ATOM 27 O PRO A 5 14.361 -13.195 6.706 1.00 91.50 O +ATOM 28 CB PRO A 5 16.743 -12.993 4.452 1.00 91.29 C +ATOM 29 CG PRO A 5 16.319 -14.387 4.157 1.00 89.39 C +ATOM 30 CD PRO A 5 16.838 -15.216 5.301 1.00 91.74 C +HETATM 31 N HYP A 6 15.068 -11.108 6.433 1.00 93.66 N +HETATM 32 CA HYP A 6 13.737 -10.524 6.657 1.00 93.05 C +HETATM 33 C HYP A 6 12.713 -11.000 5.688 1.00 93.65 C +HETATM 34 O HYP A 6 13.042 -11.291 4.510 1.00 90.73 O +HETATM 35 CB HYP A 6 13.985 -9.027 6.602 1.00 92.54 C +HETATM 36 CG HYP A 6 15.409 -8.875 6.970 1.00 91.32 C +HETATM 37 CD HYP A 6 16.061 -10.125 6.375 1.00 92.81 C +HETATM 38 OD1 HYP A 6 15.575 -8.908 8.376 1.00 89.66 O +ATOM 39 N GLY A 7 11.454 -11.081 6.142 1.00 92.93 N +ATOM 40 CA GLY A 7 10.370 -11.472 5.281 1.00 91.95 C +ATOM 41 C GLY A 7 10.077 -10.411 4.239 1.00 92.14 C +ATOM 42 O GLY A 7 10.674 -9.334 4.248 1.00 90.76 O +ATOM 43 N PRO A 8 9.148 -10.701 3.340 1.00 92.90 N +ATOM 44 CA PRO A 8 8.808 -9.740 2.301 1.00 93.15 C +ATOM 45 C PRO A 8 8.101 -8.521 2.872 1.00 92.72 C +ATOM 46 O PRO A 8 7.512 -8.573 3.943 1.00 90.40 O +ATOM 47 CB PRO A 8 7.893 -10.530 1.370 1.00 91.75 C +ATOM 48 CG PRO A 8 7.288 -11.560 2.257 1.00 90.46 C +ATOM 49 CD PRO A 8 8.364 -11.918 3.248 1.00 92.32 C +HETATM 50 N HYP A 9 8.141 -7.434 2.180 1.00 93.39 N +HETATM 51 CA HYP A 9 7.421 -6.223 2.542 1.00 92.55 C +HETATM 52 C HYP A 9 5.919 -6.452 2.640 1.00 94.70 C +HETATM 53 O HYP A 9 5.403 -7.371 1.953 1.00 88.98 O +HETATM 54 CB HYP A 9 7.751 -5.244 1.406 1.00 92.16 C +HETATM 55 CG HYP A 9 9.055 -5.737 0.895 1.00 90.90 C +HETATM 56 CD HYP A 9 8.949 -7.244 1.043 1.00 92.14 C +HETATM 57 OD1 HYP A 9 10.111 -5.280 1.740 1.00 88.64 O +ATOM 58 N CYS A 10 5.272 -5.611 3.471 1.00 92.75 N +ATOM 59 CA CYS A 10 3.828 -5.665 3.564 1.00 92.39 C +ATOM 60 C CYS A 10 3.216 -5.292 2.222 1.00 92.87 C +ATOM 61 O CYS A 10 3.810 -4.530 1.457 1.00 91.48 O +ATOM 62 CB CYS A 10 3.322 -4.694 4.624 1.00 88.85 C +ATOM 63 SG CYS A 10 3.826 -5.142 6.289 1.00 82.56 S +ATOM 64 N PRO A 11 2.018 -5.816 1.933 1.00 92.57 N +ATOM 65 CA PRO A 11 1.360 -5.444 0.679 1.00 93.16 C +ATOM 66 C PRO A 11 1.038 -3.958 0.651 1.00 93.18 C +ATOM 67 O PRO A 11 0.880 -3.333 1.693 1.00 91.60 O +ATOM 68 CB PRO A 11 0.070 -6.266 0.681 1.00 91.78 C +ATOM 69 CG PRO A 11 0.278 -7.317 1.700 1.00 90.24 C +ATOM 70 CD PRO A 11 1.238 -6.771 2.697 1.00 91.15 C +HETATM 71 N HYP A 12 0.920 -3.381 -0.531 1.00 93.58 N +HETATM 72 CA HYP A 12 0.475 -1.981 -0.661 1.00 93.38 C +HETATM 73 C HYP A 12 -0.881 -1.735 -0.025 1.00 94.29 C +HETATM 74 O HYP A 12 -1.717 -2.670 0.030 1.00 89.41 O +HETATM 75 CB HYP A 12 0.382 -1.833 -2.187 1.00 92.66 C +HETATM 76 CG HYP A 12 1.342 -2.833 -2.731 1.00 90.24 C +HETATM 77 CD HYP A 12 1.235 -3.966 -1.761 1.00 91.90 C +HETATM 78 OD1 HYP A 12 2.670 -2.323 -2.660 1.00 89.59 O +ATOM 79 N GLY A 13 -1.060 -0.540 0.490 1.00 93.21 N +ATOM 80 CA GLY A 13 -2.328 -0.177 1.071 1.00 92.38 C +ATOM 81 C GLY A 13 -3.399 -0.102 -0.002 1.00 93.03 C +ATOM 82 O GLY A 13 -3.117 -0.189 -1.199 1.00 92.09 O +ATOM 83 N PRO A 14 -4.651 0.057 0.419 1.00 94.60 N +ATOM 84 CA PRO A 14 -5.741 0.142 -0.540 1.00 94.36 C +ATOM 85 C PRO A 14 -5.679 1.434 -1.344 1.00 94.11 C +ATOM 86 O PRO A 14 -5.075 2.409 -0.913 1.00 93.06 O +ATOM 87 CB PRO A 14 -6.991 0.077 0.336 1.00 93.46 C +ATOM 88 CG PRO A 14 -6.540 0.626 1.641 1.00 92.80 C +ATOM 89 CD PRO A 14 -5.114 0.170 1.795 1.00 93.91 C +HETATM 90 N HYP A 15 -6.303 1.459 -2.508 1.00 94.47 N +HETATM 91 CA HYP A 15 -6.411 2.688 -3.278 1.00 93.57 C +HETATM 92 C HYP A 15 -7.076 3.814 -2.525 1.00 94.78 C +HETATM 93 O HYP A 15 -7.967 3.573 -1.680 1.00 90.04 O +HETATM 94 CB HYP A 15 -7.275 2.259 -4.460 1.00 92.39 C +HETATM 95 CG HYP A 15 -7.036 0.789 -4.576 1.00 92.43 C +HETATM 96 CD HYP A 15 -6.879 0.342 -3.159 1.00 93.36 C +HETATM 97 OD1 HYP A 15 -5.837 0.525 -5.275 1.00 90.22 O +ATOM 98 N GLY A 16 -6.652 5.030 -2.785 1.00 92.44 N +ATOM 99 CA GLY A 16 -7.268 6.174 -2.169 1.00 91.67 C +ATOM 100 C GLY A 16 -8.708 6.325 -2.631 1.00 92.61 C +ATOM 101 O GLY A 16 -9.138 5.662 -3.580 1.00 92.11 O +ATOM 102 N PRO A 17 -9.456 7.196 -1.969 1.00 93.33 N +ATOM 103 CA PRO A 17 -10.853 7.391 -2.346 1.00 93.45 C +ATOM 104 C PRO A 17 -10.974 8.097 -3.689 1.00 93.62 C +ATOM 105 O PRO A 17 -10.054 8.787 -4.123 1.00 92.11 O +ATOM 106 CB PRO A 17 -11.409 8.240 -1.207 1.00 91.79 C +ATOM 107 CG PRO A 17 -10.219 8.984 -0.704 1.00 90.38 C +ATOM 108 CD PRO A 17 -9.064 8.025 -0.838 1.00 92.59 C +HETATM 109 N HYP A 18 -12.098 7.941 -4.376 1.00 94.57 N +HETATM 110 CA HYP A 18 -12.378 8.693 -5.562 1.00 94.45 C +HETATM 111 C HYP A 18 -12.363 10.180 -5.342 1.00 93.76 C +HETATM 112 O HYP A 18 -12.689 10.663 -4.235 1.00 90.99 O +HETATM 113 CB HYP A 18 -13.780 8.212 -5.944 1.00 93.16 C +HETATM 114 CG HYP A 18 -13.883 6.845 -5.363 1.00 92.89 C +HETATM 115 CD HYP A 18 -13.087 6.951 -4.080 1.00 93.90 C +HETATM 116 OD1 HYP A 18 -13.267 5.893 -6.207 1.00 90.72 O +ATOM 117 N GLY A 19 -11.997 10.934 -6.350 1.00 92.93 N +ATOM 118 CA GLY A 19 -12.037 12.368 -6.276 1.00 92.28 C +ATOM 119 C GLY A 19 -13.471 12.853 -6.168 1.00 93.00 C +ATOM 120 O GLY A 19 -14.421 12.071 -6.307 1.00 92.42 O +ATOM 121 N PRO A 20 -13.651 14.138 -5.942 1.00 92.93 N +ATOM 122 CA PRO A 20 -15.000 14.675 -5.811 1.00 93.06 C +ATOM 123 C PRO A 20 -15.737 14.642 -7.146 1.00 93.21 C +ATOM 124 O PRO A 20 -15.121 14.628 -8.203 1.00 91.42 O +ATOM 125 CB PRO A 20 -14.766 16.109 -5.329 1.00 91.51 C +ATOM 126 CG PRO A 20 -13.411 16.436 -5.841 1.00 89.70 C +ATOM 127 CD PRO A 20 -12.620 15.155 -5.773 1.00 91.82 C +HETATM 128 N HYP A 21 -17.073 14.666 -7.115 1.00 94.15 N +HETATM 129 CA HYP A 21 -17.858 14.699 -8.302 1.00 93.86 C +HETATM 130 C HYP A 21 -17.608 15.938 -9.147 1.00 95.47 C +HETATM 131 O HYP A 21 -17.346 17.015 -8.603 1.00 91.43 O +HETATM 132 CB HYP A 21 -19.314 14.720 -7.771 1.00 93.43 C +HETATM 133 CG HYP A 21 -19.235 14.106 -6.419 1.00 92.49 C +HETATM 134 CD HYP A 21 -17.859 14.545 -5.916 1.00 93.31 C +HETATM 135 OD1 HYP A 21 -19.240 12.683 -6.530 1.00 89.33 O +ATOM 136 N GLY A 22 -17.647 15.775 -10.463 1.00 90.30 N +ATOM 137 CA GLY A 22 -17.509 16.900 -11.343 1.00 89.29 C +ATOM 138 C GLY A 22 -18.730 17.798 -11.224 1.00 89.82 C +ATOM 139 O GLY A 22 -19.719 17.439 -10.592 1.00 88.42 O +ATOM 140 N PRO A 23 -18.685 18.969 -11.850 1.00 90.51 N +ATOM 141 CA PRO A 23 -19.819 19.874 -11.776 1.00 90.89 C +ATOM 142 C PRO A 23 -21.003 19.314 -12.544 1.00 90.82 C +ATOM 143 O PRO A 23 -20.844 18.525 -13.470 1.00 88.10 O +ATOM 144 CB PRO A 23 -19.293 21.168 -12.388 1.00 88.75 C +ATOM 145 CG PRO A 23 -18.187 20.728 -13.275 1.00 86.89 C +ATOM 146 CD PRO A 23 -17.572 19.528 -12.611 1.00 89.28 C +HETATM 147 N HYP A 24 -22.228 19.771 -12.251 1.00 92.86 N +HETATM 148 CA HYP A 24 -23.341 19.257 -12.968 1.00 91.93 C +HETATM 149 C HYP A 24 -23.283 19.622 -14.432 1.00 92.09 C +HETATM 150 O HYP A 24 -22.861 20.762 -14.695 1.00 88.40 O +HETATM 151 CB HYP A 24 -24.576 19.911 -12.312 1.00 92.45 C +HETATM 152 CG HYP A 24 -24.100 20.369 -10.974 1.00 91.11 C +HETATM 153 CD HYP A 24 -22.593 20.631 -11.143 1.00 91.87 C +HETATM 154 OD1 HYP A 24 -24.224 19.309 -10.065 1.00 85.30 O +HETATM 155 OXT HYP A 24 -23.642 18.741 -15.216 1.00 81.14 O +TER 156 HYP A 24 +END diff --git a/protein_pdb_63.txt b/protein_pdb_63.txt new file mode 100644 index 0000000000000000000000000000000000000000..8ea64a734551db0055196f62b07c76ef9071e4a0 --- /dev/null +++ b/protein_pdb_63.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -26.894 -7.606 25.643 1.00 83.24 N +ATOM 2 CA GLY A 1 -25.460 -7.806 25.811 1.00 86.53 C +ATOM 3 C GLY A 1 -24.668 -6.649 25.242 1.00 87.53 C +ATOM 4 O GLY A 1 -25.224 -5.788 24.552 1.00 83.17 O +ATOM 5 N PRO A 2 -23.371 -6.599 25.495 1.00 85.34 N +ATOM 6 CA PRO A 2 -22.531 -5.517 24.975 1.00 88.48 C +ATOM 7 C PRO A 2 -22.374 -5.600 23.465 1.00 88.63 C +ATOM 8 O PRO A 2 -22.531 -6.662 22.871 1.00 85.36 O +ATOM 9 CB PRO A 2 -21.194 -5.720 25.691 1.00 84.79 C +ATOM 10 CG PRO A 2 -21.162 -7.186 25.958 1.00 81.90 C +ATOM 11 CD PRO A 2 -22.593 -7.552 26.278 1.00 82.39 C +HETATM 12 N HYP A 3 -22.136 -4.515 22.893 1.00 91.77 N +HETATM 13 CA HYP A 3 -21.805 -4.444 21.449 1.00 88.76 C +HETATM 14 C HYP A 3 -20.653 -5.346 21.106 1.00 90.98 C +HETATM 15 O HYP A 3 -19.746 -5.600 21.931 1.00 91.43 O +HETATM 16 CB HYP A 3 -21.436 -2.972 21.287 1.00 88.61 C +HETATM 17 CG HYP A 3 -22.165 -2.261 22.386 1.00 88.35 C +HETATM 18 CD HYP A 3 -22.061 -3.228 23.538 1.00 91.55 C +HETATM 19 OD1 HYP A 3 -23.511 -2.050 22.066 1.00 89.45 O +ATOM 20 N GLY A 4 -20.664 -5.871 19.879 1.00 94.10 N +ATOM 21 CA GLY A 4 -19.583 -6.701 19.406 1.00 93.45 C +ATOM 22 C GLY A 4 -18.317 -5.882 19.215 1.00 93.61 C +ATOM 23 O GLY A 4 -18.339 -4.654 19.285 1.00 92.64 O +ATOM 24 N PRO A 5 -17.207 -6.558 18.961 1.00 94.44 N +ATOM 25 CA PRO A 5 -15.939 -5.856 18.769 1.00 94.26 C +ATOM 26 C PRO A 5 -15.934 -5.062 17.477 1.00 94.34 C +ATOM 27 O PRO A 5 -16.672 -5.363 16.544 1.00 93.01 O +ATOM 28 CB PRO A 5 -14.907 -6.980 18.749 1.00 92.52 C +ATOM 29 CG PRO A 5 -15.675 -8.147 18.243 1.00 91.07 C +ATOM 30 CD PRO A 5 -17.058 -8.005 18.839 1.00 92.58 C +HETATM 31 N HYP A 6 -15.128 -4.046 17.433 1.00 94.68 N +HETATM 32 CA HYP A 6 -14.912 -3.298 16.182 1.00 93.78 C +HETATM 33 C HYP A 6 -14.432 -4.168 15.084 1.00 92.67 C +HETATM 34 O HYP A 6 -13.730 -5.180 15.314 1.00 92.24 O +HETATM 35 CB HYP A 6 -13.822 -2.265 16.625 1.00 92.33 C +HETATM 36 CG HYP A 6 -14.034 -2.111 18.093 1.00 90.26 C +HETATM 37 CD HYP A 6 -14.406 -3.501 18.535 1.00 92.80 C +HETATM 38 OD1 HYP A 6 -15.092 -1.217 18.371 1.00 89.17 O +ATOM 39 N GLY A 7 -14.828 -3.835 13.832 1.00 95.22 N +ATOM 40 CA GLY A 7 -14.422 -4.577 12.666 1.00 94.25 C +ATOM 41 C GLY A 7 -12.927 -4.456 12.418 1.00 94.40 C +ATOM 42 O GLY A 7 -12.244 -3.637 13.044 1.00 93.91 O +ATOM 43 N PRO A 8 -12.409 -5.257 11.499 1.00 93.84 N +ATOM 44 CA PRO A 8 -10.985 -5.216 11.193 1.00 93.65 C +ATOM 45 C PRO A 8 -10.611 -3.943 10.453 1.00 93.72 C +ATOM 46 O PRO A 8 -11.448 -3.309 9.817 1.00 92.21 O +ATOM 47 CB PRO A 8 -10.771 -6.455 10.324 1.00 91.95 C +ATOM 48 CG PRO A 8 -12.090 -6.626 9.656 1.00 91.10 C +ATOM 49 CD PRO A 8 -13.116 -6.250 10.700 1.00 92.46 C +HETATM 50 N HYP A 9 -9.395 -3.567 10.504 1.00 93.77 N +HETATM 51 CA HYP A 9 -8.866 -2.447 9.737 1.00 92.37 C +HETATM 52 C HYP A 9 -9.006 -2.648 8.279 1.00 94.28 C +HETATM 53 O HYP A 9 -8.935 -3.781 7.796 1.00 91.56 O +HETATM 54 CB HYP A 9 -7.336 -2.435 10.136 1.00 92.14 C +HETATM 55 CG HYP A 9 -7.311 -3.059 11.494 1.00 90.13 C +HETATM 56 CD HYP A 9 -8.397 -4.115 11.372 1.00 93.56 C +HETATM 57 OD1 HYP A 9 -7.689 -2.124 12.487 1.00 85.99 O +ATOM 58 N GLY A 10 -9.224 -1.565 7.564 1.00 95.21 N +ATOM 59 CA GLY A 10 -9.339 -1.634 6.129 1.00 94.35 C +ATOM 60 C GLY A 10 -8.022 -2.059 5.490 1.00 94.64 C +ATOM 61 O GLY A 10 -6.985 -2.135 6.152 1.00 93.88 O +ATOM 62 N PRO A 11 -8.045 -2.322 4.179 1.00 92.29 N +ATOM 63 CA PRO A 11 -6.820 -2.753 3.501 1.00 91.51 C +ATOM 64 C PRO A 11 -5.814 -1.619 3.364 1.00 90.81 C +ATOM 65 O PRO A 11 -6.163 -0.442 3.379 1.00 87.72 O +ATOM 66 CB PRO A 11 -7.321 -3.216 2.134 1.00 89.71 C +ATOM 67 CG PRO A 11 -8.530 -2.371 1.914 1.00 89.92 C +ATOM 68 CD PRO A 11 -9.176 -2.251 3.273 1.00 91.34 C +ATOM 69 N VAL A 12 -4.548 -2.005 3.229 1.00 93.50 N +ATOM 70 CA VAL A 12 -3.491 -1.036 2.988 1.00 92.72 C +ATOM 71 C VAL A 12 -3.756 -0.378 1.639 1.00 93.32 C +ATOM 72 O VAL A 12 -4.246 -1.028 0.709 1.00 91.96 O +ATOM 73 CB VAL A 12 -2.107 -1.721 3.000 1.00 89.90 C +ATOM 74 CG1 VAL A 12 -1.003 -0.733 2.663 1.00 86.44 C +ATOM 75 CG2 VAL A 12 -1.849 -2.342 4.365 1.00 86.00 C +ATOM 76 N GLY A 13 -3.461 0.908 1.554 1.00 93.97 N +ATOM 77 CA GLY A 13 -3.689 1.634 0.317 1.00 93.44 C +ATOM 78 C GLY A 13 -2.823 1.141 -0.824 1.00 93.91 C +ATOM 79 O GLY A 13 -1.895 0.356 -0.631 1.00 93.49 O +ATOM 80 N PRO A 14 -3.115 1.609 -2.041 1.00 93.91 N +ATOM 81 CA PRO A 14 -2.352 1.175 -3.208 1.00 94.08 C +ATOM 82 C PRO A 14 -0.937 1.723 -3.188 1.00 94.21 C +ATOM 83 O PRO A 14 -0.646 2.716 -2.530 1.00 92.84 O +ATOM 84 CB PRO A 14 -3.153 1.736 -4.384 1.00 92.55 C +ATOM 85 CG PRO A 14 -3.809 2.943 -3.811 1.00 91.61 C +ATOM 86 CD PRO A 14 -4.165 2.552 -2.398 1.00 92.71 C +HETATM 87 N HYP A 15 -0.071 1.103 -3.964 1.00 92.86 N +HETATM 88 CA HYP A 15 1.302 1.563 -4.092 1.00 91.48 C +HETATM 89 C HYP A 15 1.406 2.964 -4.675 1.00 93.88 C +HETATM 90 O HYP A 15 0.531 3.385 -5.456 1.00 89.47 O +HETATM 91 CB HYP A 15 1.877 0.564 -5.105 1.00 89.78 C +HETATM 92 CG HYP A 15 1.027 -0.684 -4.917 1.00 88.06 C +HETATM 93 CD HYP A 15 -0.335 -0.113 -4.682 1.00 92.20 C +HETATM 94 OD1 HYP A 15 1.427 -1.421 -3.806 1.00 90.88 O +ATOM 95 N GLY A 16 2.362 3.696 -4.235 1.00 95.61 N +ATOM 96 CA GLY A 16 2.573 5.007 -4.789 1.00 94.75 C +ATOM 97 C GLY A 16 3.040 4.904 -6.231 1.00 95.23 C +ATOM 98 O GLY A 16 3.341 3.819 -6.731 1.00 94.82 O +ATOM 99 N PRO A 17 3.104 6.050 -6.921 1.00 91.50 N +ATOM 100 CA PRO A 17 3.530 6.036 -8.315 1.00 91.58 C +ATOM 101 C PRO A 17 5.011 5.704 -8.444 1.00 91.52 C +ATOM 102 O PRO A 17 5.793 5.911 -7.525 1.00 90.11 O +ATOM 103 CB PRO A 17 3.230 7.454 -8.794 1.00 89.52 C +ATOM 104 CG PRO A 17 3.339 8.267 -7.551 1.00 88.49 C +ATOM 105 CD PRO A 17 2.776 7.394 -6.457 1.00 90.30 C +HETATM 106 N HYP A 18 5.400 5.195 -9.623 1.00 92.99 N +HETATM 107 CA HYP A 18 6.807 4.943 -9.883 1.00 93.08 C +HETATM 108 C HYP A 18 7.630 6.210 -9.858 1.00 92.75 C +HETATM 109 O HYP A 18 7.143 7.301 -10.228 1.00 92.95 O +HETATM 110 CB HYP A 18 6.775 4.375 -11.308 1.00 92.67 C +HETATM 111 CG HYP A 18 5.418 3.761 -11.461 1.00 91.85 C +HETATM 112 CD HYP A 18 4.541 4.688 -10.684 1.00 92.38 C +HETATM 113 OD1 HYP A 18 5.356 2.480 -10.896 1.00 90.98 O +ATOM 114 N GLY A 19 8.851 6.102 -9.370 1.00 93.60 N +ATOM 115 CA GLY A 19 9.737 7.232 -9.337 1.00 92.89 C +ATOM 116 C GLY A 19 10.130 7.645 -10.746 1.00 93.41 C +ATOM 117 O GLY A 19 9.863 6.929 -11.713 1.00 92.96 O +ATOM 118 N PRO A 20 10.789 8.789 -10.875 1.00 90.61 N +ATOM 119 CA PRO A 20 11.203 9.260 -12.195 1.00 90.45 C +ATOM 120 C PRO A 20 12.345 8.415 -12.744 1.00 90.21 C +ATOM 121 O PRO A 20 13.073 7.771 -11.996 1.00 88.40 O +ATOM 122 CB PRO A 20 11.631 10.700 -11.934 1.00 87.79 C +ATOM 123 CG PRO A 20 12.089 10.678 -10.513 1.00 86.13 C +ATOM 124 CD PRO A 20 11.157 9.722 -9.816 1.00 88.80 C +HETATM 125 N HYP A 21 12.521 8.422 -14.083 1.00 93.96 N +HETATM 126 CA HYP A 21 13.632 7.737 -14.675 1.00 92.08 C +HETATM 127 C HYP A 21 14.979 8.250 -14.229 1.00 95.06 C +HETATM 128 O HYP A 21 15.100 9.441 -13.916 1.00 91.94 O +HETATM 129 CB HYP A 21 13.457 8.048 -16.180 1.00 93.12 C +HETATM 130 CG HYP A 21 12.004 8.311 -16.364 1.00 91.91 C +HETATM 131 CD HYP A 21 11.629 8.998 -15.077 1.00 93.23 C +HETATM 132 OD1 HYP A 21 11.296 7.103 -16.479 1.00 89.80 O +ATOM 133 N GLY A 22 15.958 7.398 -14.100 1.00 89.31 N +ATOM 134 CA GLY A 22 17.284 7.811 -13.725 1.00 88.36 C +ATOM 135 C GLY A 22 17.894 8.700 -14.793 1.00 88.44 C +ATOM 136 O GLY A 22 17.342 8.843 -15.890 1.00 86.93 O +ATOM 137 N PRO A 23 19.062 9.298 -14.519 1.00 87.91 N +ATOM 138 CA PRO A 23 19.700 10.179 -15.495 1.00 87.76 C +ATOM 139 C PRO A 23 20.199 9.392 -16.695 1.00 87.13 C +ATOM 140 O PRO A 23 20.526 8.208 -16.595 1.00 83.24 O +ATOM 141 CB PRO A 23 20.843 10.812 -14.712 1.00 83.49 C +ATOM 142 CG PRO A 23 21.162 9.803 -13.671 1.00 80.57 C +ATOM 143 CD PRO A 23 19.835 9.194 -13.288 1.00 82.80 C +HETATM 144 N HYP A 24 20.338 10.017 -17.850 1.00 89.27 N +HETATM 145 CA HYP A 24 20.808 9.307 -19.009 1.00 86.52 C +HETATM 146 C HYP A 24 22.246 8.873 -18.858 1.00 88.69 C +HETATM 147 O HYP A 24 23.000 9.615 -18.196 1.00 88.96 O +HETATM 148 CB HYP A 24 20.778 10.398 -20.161 1.00 89.32 C +HETATM 149 CG HYP A 24 19.860 11.462 -19.658 1.00 88.33 C +HETATM 150 CD HYP A 24 19.982 11.385 -18.125 1.00 88.81 C +HETATM 151 OD1 HYP A 24 18.539 11.118 -20.007 1.00 84.25 O +HETATM 152 OXT HYP A 24 22.565 7.820 -19.420 1.00 80.81 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_630.txt b/protein_pdb_630.txt new file mode 100644 index 0000000000000000000000000000000000000000..bb33d338cd777e76ac1a2237e46dfefe0ea65a9e --- /dev/null +++ b/protein_pdb_630.txt @@ -0,0 +1,162 @@ +ATOM 1 N GLY A 1 30.918 -15.846 2.311 1.00 95.00 N +ATOM 2 CA GLY A 1 29.654 -16.575 2.396 1.00 95.92 C +ATOM 3 C GLY A 1 28.641 -16.034 1.413 1.00 96.70 C +ATOM 4 O GLY A 1 28.886 -15.029 0.752 1.00 95.37 O +ATOM 5 N PRO A 2 27.505 -16.683 1.282 1.00 97.41 N +ATOM 6 CA PRO A 2 26.468 -16.207 0.365 1.00 97.68 C +ATOM 7 C PRO A 2 25.874 -14.891 0.837 1.00 98.04 C +ATOM 8 O PRO A 2 25.982 -14.526 2.001 1.00 97.45 O +ATOM 9 CB PRO A 2 25.430 -17.325 0.360 1.00 96.56 C +ATOM 10 CG PRO A 2 25.657 -18.074 1.620 1.00 94.36 C +ATOM 11 CD PRO A 2 27.095 -17.900 1.986 1.00 96.18 C +HETATM 12 N HYP A 3 25.275 -14.169 -0.070 1.00 97.95 N +HETATM 13 CA HYP A 3 24.557 -12.944 0.250 1.00 97.77 C +HETATM 14 C HYP A 3 23.529 -13.179 1.348 1.00 98.07 C +HETATM 15 O HYP A 3 22.916 -14.267 1.400 1.00 97.69 O +HETATM 16 CB HYP A 3 23.919 -12.524 -1.055 1.00 97.48 C +HETATM 17 CG HYP A 3 24.724 -13.183 -2.110 1.00 97.20 C +HETATM 18 CD HYP A 3 25.176 -14.493 -1.468 1.00 97.50 C +HETATM 19 OD1 HYP A 3 25.840 -12.409 -2.427 1.00 96.48 O +ATOM 20 N GLY A 4 23.337 -12.140 2.156 1.00 98.41 N +ATOM 21 CA GLY A 4 22.305 -12.212 3.168 1.00 98.46 C +ATOM 22 C GLY A 4 20.926 -12.226 2.529 1.00 98.52 C +ATOM 23 O GLY A 4 20.781 -12.010 1.324 1.00 98.23 O +ATOM 24 N PRO A 5 19.902 -12.472 3.333 1.00 98.31 N +ATOM 25 CA PRO A 5 18.545 -12.517 2.792 1.00 98.26 C +ATOM 26 C PRO A 5 18.060 -11.136 2.381 1.00 98.33 C +ATOM 27 O PRO A 5 18.585 -10.117 2.828 1.00 98.08 O +ATOM 28 CB PRO A 5 17.718 -13.078 3.946 1.00 97.67 C +ATOM 29 CG PRO A 5 18.484 -12.680 5.159 1.00 96.32 C +ATOM 30 CD PRO A 5 19.935 -12.698 4.769 1.00 97.64 C +HETATM 31 N HYP A 6 17.063 -11.074 1.521 1.00 98.39 N +HETATM 32 CA HYP A 6 16.408 -9.822 1.173 1.00 98.17 C +HETATM 33 C HYP A 6 15.888 -9.077 2.376 1.00 98.58 C +HETATM 34 O HYP A 6 15.504 -9.753 3.351 1.00 98.11 O +HETATM 35 CB HYP A 6 15.310 -10.235 0.207 1.00 97.48 C +HETATM 36 CG HYP A 6 15.781 -11.535 -0.357 1.00 97.22 C +HETATM 37 CD HYP A 6 16.530 -12.153 0.790 1.00 97.79 C +HETATM 38 OD1 HYP A 6 16.663 -11.292 -1.432 1.00 96.26 O +ATOM 39 N GLY A 7 15.867 -7.779 2.287 1.00 98.43 N +ATOM 40 CA GLY A 7 15.315 -6.990 3.363 1.00 98.37 C +ATOM 41 C GLY A 7 13.828 -7.232 3.529 1.00 98.52 C +ATOM 42 O GLY A 7 13.193 -7.889 2.694 1.00 98.42 O +ATOM 43 N PRO A 8 13.258 -6.697 4.602 1.00 98.43 N +ATOM 44 CA PRO A 8 11.828 -6.878 4.846 1.00 98.48 C +ATOM 45 C PRO A 8 10.988 -6.202 3.773 1.00 98.42 C +ATOM 46 O PRO A 8 11.407 -5.218 3.163 1.00 98.20 O +ATOM 47 CB PRO A 8 11.585 -6.219 6.201 1.00 98.03 C +ATOM 48 CG PRO A 8 12.928 -5.930 6.759 1.00 97.06 C +ATOM 49 CD PRO A 8 13.901 -5.896 5.628 1.00 98.02 C +HETATM 50 N HYP A 9 9.779 -6.671 3.511 1.00 98.43 N +HETATM 51 CA HYP A 9 8.820 -6.039 2.646 1.00 98.31 C +HETATM 52 C HYP A 9 8.509 -4.628 3.134 1.00 98.59 C +HETATM 53 O HYP A 9 8.522 -4.399 4.347 1.00 98.28 O +HETATM 54 CB HYP A 9 7.568 -6.909 2.721 1.00 97.60 C +HETATM 55 CG HYP A 9 8.132 -8.265 3.097 1.00 97.27 C +HETATM 56 CD HYP A 9 9.290 -7.930 4.003 1.00 97.84 C +HETATM 57 OD1 HYP A 9 8.631 -8.900 1.926 1.00 96.34 O +ATOM 58 N ARG A 10 8.223 -3.740 2.138 1.00 98.31 N +ATOM 59 CA ARG A 10 7.839 -2.386 2.478 1.00 98.21 C +ATOM 60 C ARG A 10 6.504 -2.399 3.227 1.00 98.41 C +ATOM 61 O ARG A 10 5.641 -3.236 2.934 1.00 98.35 O +ATOM 62 CB ARG A 10 7.723 -1.537 1.206 1.00 97.36 C +ATOM 63 CG ARG A 10 7.448 -0.068 1.488 1.00 93.57 C +ATOM 64 CD ARG A 10 7.320 0.726 0.211 1.00 92.44 C +ATOM 65 NE ARG A 10 7.024 2.132 0.505 1.00 89.24 N +ATOM 66 CZ ARG A 10 6.777 3.069 -0.403 1.00 87.99 C +ATOM 67 NH1 ARG A 10 6.775 2.777 -1.696 1.00 84.78 N +ATOM 68 NH2 ARG A 10 6.522 4.317 -0.029 1.00 84.53 N +ATOM 69 N PRO A 11 6.316 -1.482 4.177 1.00 98.44 N +ATOM 70 CA PRO A 11 5.023 -1.413 4.868 1.00 98.49 C +ATOM 71 C PRO A 11 3.883 -1.123 3.905 1.00 98.40 C +ATOM 72 O PRO A 11 4.093 -0.554 2.844 1.00 98.18 O +ATOM 73 CB PRO A 11 5.201 -0.250 5.854 1.00 98.01 C +ATOM 74 CG PRO A 11 6.666 -0.123 6.019 1.00 96.91 C +ATOM 75 CD PRO A 11 7.272 -0.512 4.706 1.00 97.92 C +HETATM 76 N HYP A 12 2.644 -1.500 4.279 1.00 98.45 N +HETATM 77 CA HYP A 12 1.480 -1.174 3.490 1.00 98.38 C +HETATM 78 C HYP A 12 1.358 0.297 3.198 1.00 98.56 C +HETATM 79 O HYP A 12 1.715 1.130 4.052 1.00 98.16 O +HETATM 80 CB HYP A 12 0.303 -1.680 4.351 1.00 97.64 C +HETATM 81 CG HYP A 12 0.914 -2.703 5.269 1.00 97.12 C +HETATM 82 CD HYP A 12 2.289 -2.190 5.480 1.00 97.78 C +HETATM 83 OD1 HYP A 12 1.017 -3.962 4.600 1.00 96.79 O +ATOM 84 N GLY A 13 0.859 0.626 2.029 1.00 98.51 N +ATOM 85 CA GLY A 13 0.606 1.997 1.690 1.00 98.56 C +ATOM 86 C GLY A 13 -0.543 2.564 2.507 1.00 98.63 C +ATOM 87 O GLY A 13 -1.197 1.847 3.269 1.00 98.48 O +ATOM 88 N PRO A 14 -0.800 3.861 2.356 1.00 98.42 N +ATOM 89 CA PRO A 14 -1.898 4.481 3.087 1.00 98.35 C +ATOM 90 C PRO A 14 -3.245 3.992 2.580 1.00 98.41 C +ATOM 91 O PRO A 14 -3.356 3.462 1.480 1.00 98.25 O +ATOM 92 CB PRO A 14 -1.709 5.976 2.819 1.00 97.84 C +ATOM 93 CG PRO A 14 -0.974 6.019 1.531 1.00 96.65 C +ATOM 94 CD PRO A 14 -0.095 4.800 1.490 1.00 97.83 C +HETATM 95 N HYP A 15 -4.301 4.137 3.363 1.00 98.35 N +HETATM 96 CA HYP A 15 -5.650 3.839 2.953 1.00 98.15 C +HETATM 97 C HYP A 15 -6.044 4.532 1.667 1.00 98.45 C +HETATM 98 O HYP A 15 -5.665 5.700 1.469 1.00 98.06 O +HETATM 99 CB HYP A 15 -6.518 4.270 4.108 1.00 97.56 C +HETATM 100 CG HYP A 15 -5.580 4.248 5.277 1.00 96.96 C +HETATM 101 CD HYP A 15 -4.259 4.613 4.682 1.00 97.65 C +HETATM 102 OD1 HYP A 15 -5.462 2.943 5.810 1.00 96.40 O +ATOM 103 N GLY A 16 -6.789 3.836 0.824 1.00 98.42 N +ATOM 104 CA GLY A 16 -7.289 4.444 -0.382 1.00 98.49 C +ATOM 105 C GLY A 16 -8.257 5.572 -0.070 1.00 98.52 C +ATOM 106 O GLY A 16 -8.699 5.740 1.073 1.00 98.41 O +ATOM 107 N PRO A 17 -8.593 6.358 -1.079 1.00 98.24 N +ATOM 108 CA PRO A 17 -9.508 7.474 -0.863 1.00 98.25 C +ATOM 109 C PRO A 17 -10.922 6.986 -0.603 1.00 98.32 C +ATOM 110 O PRO A 17 -11.281 5.866 -0.953 1.00 98.04 O +ATOM 111 CB PRO A 17 -9.418 8.266 -2.171 1.00 97.57 C +ATOM 112 CG PRO A 17 -9.052 7.234 -3.182 1.00 96.25 C +ATOM 113 CD PRO A 17 -8.171 6.249 -2.471 1.00 97.62 C +HETATM 114 N HYP A 18 -11.755 7.803 0.016 1.00 98.15 N +HETATM 115 CA HYP A 18 -13.144 7.526 0.165 1.00 97.89 C +HETATM 116 C HYP A 18 -13.831 7.260 -1.152 1.00 98.17 C +HETATM 117 O HYP A 18 -13.443 7.879 -2.174 1.00 97.72 O +HETATM 118 CB HYP A 18 -13.694 8.764 0.838 1.00 97.38 C +HETATM 119 CG HYP A 18 -12.522 9.357 1.555 1.00 97.00 C +HETATM 120 CD HYP A 18 -11.364 9.017 0.669 1.00 97.53 C +HETATM 121 OD1 HYP A 18 -12.314 8.708 2.809 1.00 96.15 O +ATOM 122 N GLY A 19 -14.810 6.384 -1.153 1.00 98.03 N +ATOM 123 CA GLY A 19 -15.577 6.143 -2.352 1.00 97.98 C +ATOM 124 C GLY A 19 -16.348 7.389 -2.769 1.00 98.21 C +ATOM 125 O GLY A 19 -16.457 8.354 -2.009 1.00 98.01 O +ATOM 126 N PRO A 20 -16.881 7.375 -3.977 1.00 97.60 N +ATOM 127 CA PRO A 20 -17.624 8.532 -4.463 1.00 97.45 C +ATOM 128 C PRO A 20 -18.946 8.682 -3.726 1.00 97.64 C +ATOM 129 O PRO A 20 -19.464 7.726 -3.158 1.00 97.19 O +ATOM 130 CB PRO A 20 -17.830 8.222 -5.945 1.00 96.60 C +ATOM 131 CG PRO A 20 -17.814 6.739 -6.012 1.00 94.93 C +ATOM 132 CD PRO A 20 -16.846 6.285 -4.955 1.00 96.83 C +HETATM 133 N HYP A 21 -19.532 9.860 -3.746 1.00 97.68 N +HETATM 134 CA HYP A 21 -20.805 10.115 -3.191 1.00 97.17 C +HETATM 135 C HYP A 21 -21.869 9.228 -3.833 1.00 97.87 C +HETATM 136 O HYP A 21 -21.773 8.945 -5.032 1.00 97.40 O +HETATM 137 CB HYP A 21 -21.086 11.579 -3.560 1.00 96.49 C +HETATM 138 CG HYP A 21 -19.732 12.194 -3.708 1.00 95.77 C +HETATM 139 CD HYP A 21 -18.915 11.063 -4.270 1.00 96.61 C +HETATM 140 OD1 HYP A 21 -19.192 12.522 -2.426 1.00 95.01 O +ATOM 141 N GLY A 22 -22.876 8.813 -3.054 1.00 97.13 N +ATOM 142 CA GLY A 22 -23.966 8.056 -3.609 1.00 96.86 C +ATOM 143 C GLY A 22 -24.772 8.897 -4.590 1.00 97.33 C +ATOM 144 O GLY A 22 -24.598 10.114 -4.677 1.00 96.81 O +ATOM 145 N PRO A 23 -25.683 8.260 -5.325 1.00 97.22 N +ATOM 146 CA PRO A 23 -26.481 9.005 -6.293 1.00 97.16 C +ATOM 147 C PRO A 23 -27.425 9.963 -5.597 1.00 97.23 C +ATOM 148 O PRO A 23 -27.851 9.726 -4.467 1.00 95.89 O +ATOM 149 CB PRO A 23 -27.256 7.933 -7.064 1.00 95.82 C +ATOM 150 CG PRO A 23 -26.995 6.651 -6.381 1.00 93.63 C +ATOM 151 CD PRO A 23 -25.989 6.834 -5.299 1.00 96.10 C +HETATM 152 N HYP A 24 -27.812 11.045 -6.251 1.00 97.05 N +HETATM 153 CA HYP A 24 -28.795 11.929 -5.676 1.00 95.83 C +HETATM 154 C HYP A 24 -30.096 11.162 -5.533 1.00 95.77 C +HETATM 155 O HYP A 24 -30.444 10.455 -6.502 1.00 94.33 O +HETATM 156 CB HYP A 24 -28.947 13.111 -6.636 1.00 95.54 C +HETATM 157 CG HYP A 24 -27.700 13.117 -7.482 1.00 94.45 C +HETATM 158 CD HYP A 24 -27.232 11.645 -7.465 1.00 95.47 C +HETATM 159 OD1 HYP A 24 -26.720 13.869 -6.808 1.00 92.99 O +HETATM 160 OXT HYP A 24 -30.668 11.256 -4.445 1.00 91.20 O +TER 161 HYP A 24 +END diff --git a/protein_pdb_631.txt b/protein_pdb_631.txt new file mode 100644 index 0000000000000000000000000000000000000000..d7d8ead4056d827ff3fd5b4bb1e91a61fa4cd87c --- /dev/null +++ b/protein_pdb_631.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 29.736 -18.407 0.751 1.00 90.34 N +ATOM 2 CA GLY A 1 28.532 -18.825 1.469 1.00 91.74 C +ATOM 3 C GLY A 1 27.281 -18.570 0.661 1.00 93.32 C +ATOM 4 O GLY A 1 27.343 -17.980 -0.423 1.00 91.72 O +ATOM 5 N PRO A 2 26.138 -19.006 1.133 1.00 94.83 N +ATOM 6 CA PRO A 2 24.887 -18.790 0.408 1.00 95.59 C +ATOM 7 C PRO A 2 24.469 -17.326 0.433 1.00 96.11 C +ATOM 8 O PRO A 2 24.966 -16.538 1.225 1.00 94.84 O +ATOM 9 CB PRO A 2 23.878 -19.671 1.155 1.00 93.43 C +ATOM 10 CG PRO A 2 24.435 -19.767 2.530 1.00 90.80 C +ATOM 11 CD PRO A 2 25.932 -19.719 2.391 1.00 92.89 C +HETATM 12 N HYP A 3 23.596 -16.949 -0.434 1.00 96.25 N +HETATM 13 CA HYP A 3 23.004 -15.632 -0.459 1.00 95.95 C +HETATM 14 C HYP A 3 22.417 -15.271 0.869 1.00 97.09 C +HETATM 15 O HYP A 3 21.909 -16.151 1.565 1.00 95.45 O +HETATM 16 CB HYP A 3 21.985 -15.663 -1.531 1.00 95.74 C +HETATM 17 CG HYP A 3 22.386 -16.790 -2.394 1.00 94.40 C +HETATM 18 CD HYP A 3 23.038 -17.766 -1.451 1.00 95.36 C +HETATM 19 OD1 HYP A 3 23.304 -16.349 -3.358 1.00 93.80 O +ATOM 20 N GLY A 4 22.474 -13.969 1.174 1.00 97.10 N +ATOM 21 CA GLY A 4 21.854 -13.495 2.391 1.00 96.88 C +ATOM 22 C GLY A 4 20.345 -13.621 2.311 1.00 96.91 C +ATOM 23 O GLY A 4 19.788 -13.958 1.261 1.00 96.53 O +ATOM 24 N PRO A 5 19.667 -13.352 3.410 1.00 96.70 N +ATOM 25 CA PRO A 5 18.206 -13.472 3.416 1.00 96.56 C +ATOM 26 C PRO A 5 17.556 -12.354 2.602 1.00 96.74 C +ATOM 27 O PRO A 5 18.162 -11.328 2.329 1.00 95.99 O +ATOM 28 CB PRO A 5 17.847 -13.362 4.899 1.00 95.22 C +ATOM 29 CG PRO A 5 18.951 -12.555 5.478 1.00 93.50 C +ATOM 30 CD PRO A 5 20.191 -12.924 4.713 1.00 95.39 C +HETATM 31 N HYP A 6 16.330 -12.530 2.174 1.00 96.96 N +HETATM 32 CA HYP A 6 15.540 -11.504 1.573 1.00 96.36 C +HETATM 33 C HYP A 6 15.431 -10.281 2.401 1.00 97.29 C +HETATM 34 O HYP A 6 15.442 -10.416 3.634 1.00 95.98 O +HETATM 35 CB HYP A 6 14.207 -12.149 1.303 1.00 95.27 C +HETATM 36 CG HYP A 6 14.526 -13.591 1.226 1.00 94.36 C +HETATM 37 CD HYP A 6 15.654 -13.758 2.198 1.00 95.66 C +HETATM 38 OD1 HYP A 6 14.955 -13.921 -0.076 1.00 92.34 O +ATOM 39 N GLY A 7 15.303 -9.151 1.756 1.00 96.70 N +ATOM 40 CA GLY A 7 15.123 -7.917 2.477 1.00 96.76 C +ATOM 41 C GLY A 7 13.779 -7.887 3.190 1.00 97.12 C +ATOM 42 O GLY A 7 12.948 -8.781 3.024 1.00 96.88 O +ATOM 43 N PRO A 8 13.555 -6.839 3.977 1.00 96.90 N +ATOM 44 CA PRO A 8 12.283 -6.719 4.698 1.00 96.96 C +ATOM 45 C PRO A 8 11.116 -6.532 3.744 1.00 97.13 C +ATOM 46 O PRO A 8 11.283 -6.072 2.618 1.00 96.46 O +ATOM 47 CB PRO A 8 12.461 -5.465 5.563 1.00 96.01 C +ATOM 48 CG PRO A 8 13.890 -5.096 5.453 1.00 94.50 C +ATOM 49 CD PRO A 8 14.440 -5.716 4.213 1.00 96.16 C +HETATM 50 N HYP A 9 9.899 -6.855 4.145 1.00 97.15 N +HETATM 51 CA HYP A 9 8.710 -6.592 3.429 1.00 96.99 C +HETATM 52 C HYP A 9 8.541 -5.127 3.159 1.00 97.63 C +HETATM 53 O HYP A 9 8.930 -4.315 4.015 1.00 96.66 O +HETATM 54 CB HYP A 9 7.574 -7.116 4.295 1.00 95.54 C +HETATM 55 CG HYP A 9 8.251 -8.165 5.095 1.00 94.64 C +HETATM 56 CD HYP A 9 9.632 -7.635 5.307 1.00 95.97 C +HETATM 57 OD1 HYP A 9 8.339 -9.363 4.323 1.00 92.61 O +ATOM 58 N VAL A 10 7.967 -4.820 1.972 1.00 97.26 N +ATOM 59 CA VAL A 10 7.665 -3.443 1.638 1.00 96.93 C +ATOM 60 C VAL A 10 6.547 -2.975 2.569 1.00 97.45 C +ATOM 61 O VAL A 10 5.591 -3.721 2.807 1.00 97.14 O +ATOM 62 CB VAL A 10 7.218 -3.321 0.168 1.00 95.25 C +ATOM 63 CG1 VAL A 10 6.823 -1.890 -0.167 1.00 90.73 C +ATOM 64 CG2 VAL A 10 8.343 -3.775 -0.766 1.00 89.85 C +ATOM 65 N PRO A 11 6.647 -1.754 3.103 1.00 97.59 N +ATOM 66 CA PRO A 11 5.578 -1.260 3.975 1.00 97.38 C +ATOM 67 C PRO A 11 4.255 -1.147 3.230 1.00 97.36 C +ATOM 68 O PRO A 11 4.232 -1.010 2.009 1.00 96.78 O +ATOM 69 CB PRO A 11 6.065 0.124 4.403 1.00 96.39 C +ATOM 70 CG PRO A 11 7.531 0.109 4.157 1.00 94.70 C +ATOM 71 CD PRO A 11 7.748 -0.797 2.995 1.00 96.51 C +HETATM 72 N HYP A 12 3.123 -1.185 3.960 1.00 97.29 N +HETATM 73 CA HYP A 12 1.834 -0.944 3.354 1.00 97.19 C +HETATM 74 C HYP A 12 1.765 0.378 2.668 1.00 97.77 C +HETATM 75 O HYP A 12 2.334 1.359 3.144 1.00 96.31 O +HETATM 76 CB HYP A 12 0.840 -0.992 4.509 1.00 95.95 C +HETATM 77 CG HYP A 12 1.552 -1.758 5.573 1.00 93.96 C +HETATM 78 CD HYP A 12 2.975 -1.413 5.361 1.00 95.62 C +HETATM 79 OD1 HYP A 12 1.413 -3.152 5.339 1.00 92.67 O +ATOM 80 N GLY A 13 1.061 0.414 1.536 1.00 97.40 N +ATOM 81 CA GLY A 13 0.868 1.654 0.822 1.00 97.36 C +ATOM 82 C GLY A 13 -0.042 2.586 1.607 1.00 97.64 C +ATOM 83 O GLY A 13 -0.604 2.214 2.641 1.00 97.27 O +ATOM 84 N PRO A 14 -0.202 3.809 1.112 1.00 97.32 N +ATOM 85 CA PRO A 14 -1.072 4.766 1.793 1.00 97.25 C +ATOM 86 C PRO A 14 -2.535 4.369 1.652 1.00 97.32 C +ATOM 87 O PRO A 14 -2.896 3.582 0.780 1.00 96.78 O +ATOM 88 CB PRO A 14 -0.776 6.085 1.072 1.00 96.16 C +ATOM 89 CG PRO A 14 -0.302 5.671 -0.270 1.00 94.50 C +ATOM 90 CD PRO A 14 0.414 4.361 -0.086 1.00 96.38 C +HETATM 91 N HYP A 15 -3.399 4.886 2.516 1.00 97.05 N +HETATM 92 CA HYP A 15 -4.825 4.711 2.372 1.00 96.65 C +HETATM 93 C HYP A 15 -5.327 5.148 1.031 1.00 97.37 C +HETATM 94 O HYP A 15 -4.831 6.140 0.481 1.00 96.64 O +HETATM 95 CB HYP A 15 -5.422 5.525 3.480 1.00 95.56 C +HETATM 96 CG HYP A 15 -4.317 5.631 4.474 1.00 94.21 C +HETATM 97 CD HYP A 15 -3.070 5.628 3.650 1.00 95.77 C +HETATM 98 OD1 HYP A 15 -4.273 4.485 5.301 1.00 91.98 O +ATOM 99 N GLY A 16 -6.315 4.430 0.500 1.00 97.12 N +ATOM 100 CA GLY A 16 -6.925 4.814 -0.753 1.00 97.05 C +ATOM 101 C GLY A 16 -7.652 6.142 -0.614 1.00 97.44 C +ATOM 102 O GLY A 16 -7.853 6.652 0.492 1.00 97.20 O +ATOM 103 N PRO A 17 -8.047 6.718 -1.737 1.00 96.73 N +ATOM 104 CA PRO A 17 -8.742 8.003 -1.702 1.00 96.68 C +ATOM 105 C PRO A 17 -10.144 7.855 -1.125 1.00 96.93 C +ATOM 106 O PRO A 17 -10.705 6.766 -1.089 1.00 96.12 O +ATOM 107 CB PRO A 17 -8.781 8.429 -3.172 1.00 95.42 C +ATOM 108 CG PRO A 17 -8.754 7.143 -3.915 1.00 93.85 C +ATOM 109 CD PRO A 17 -7.891 6.209 -3.105 1.00 95.76 C +HETATM 110 N HYP A 18 -10.728 8.940 -0.645 1.00 97.08 N +HETATM 111 CA HYP A 18 -12.098 8.960 -0.259 1.00 96.69 C +HETATM 112 C HYP A 18 -13.003 8.473 -1.334 1.00 97.39 C +HETATM 113 O HYP A 18 -12.729 8.714 -2.527 1.00 96.62 O +HETATM 114 CB HYP A 18 -12.351 10.407 0.099 1.00 95.99 C +HETATM 115 CG HYP A 18 -11.012 10.938 0.491 1.00 95.07 C +HETATM 116 CD HYP A 18 -10.067 10.178 -0.390 1.00 96.03 C +HETATM 117 OD1 HYP A 18 -10.702 10.623 1.844 1.00 92.08 O +ATOM 118 N GLY A 19 -14.087 7.806 -0.965 1.00 96.83 N +ATOM 119 CA GLY A 19 -15.075 7.392 -1.930 1.00 96.69 C +ATOM 120 C GLY A 19 -15.758 8.602 -2.548 1.00 97.10 C +ATOM 121 O GLY A 19 -15.595 9.732 -2.085 1.00 96.78 O +ATOM 122 N PRO A 20 -16.525 8.371 -3.593 1.00 96.52 N +ATOM 123 CA PRO A 20 -17.204 9.479 -4.256 1.00 96.49 C +ATOM 124 C PRO A 20 -18.303 10.060 -3.379 1.00 96.60 C +ATOM 125 O PRO A 20 -18.802 9.403 -2.472 1.00 95.74 O +ATOM 126 CB PRO A 20 -17.763 8.845 -5.529 1.00 95.21 C +ATOM 127 CG PRO A 20 -17.933 7.411 -5.171 1.00 93.51 C +ATOM 128 CD PRO A 20 -16.819 7.086 -4.220 1.00 95.79 C +HETATM 129 N HYP A 21 -18.715 11.273 -3.637 1.00 96.65 N +HETATM 130 CA HYP A 21 -19.792 11.894 -2.962 1.00 96.29 C +HETATM 131 C HYP A 21 -21.068 11.103 -3.132 1.00 97.18 C +HETATM 132 O HYP A 21 -21.304 10.535 -4.202 1.00 96.35 O +HETATM 133 CB HYP A 21 -19.947 13.259 -3.653 1.00 95.50 C +HETATM 134 CG HYP A 21 -18.580 13.543 -4.186 1.00 94.20 C +HETATM 135 CD HYP A 21 -18.064 12.182 -4.545 1.00 95.67 C +HETATM 136 OD1 HYP A 21 -17.742 14.079 -3.166 1.00 91.70 O +ATOM 137 N GLY A 22 -21.901 11.082 -2.084 1.00 94.64 N +ATOM 138 CA GLY A 22 -23.189 10.447 -2.205 1.00 94.16 C +ATOM 139 C GLY A 22 -24.074 11.227 -3.165 1.00 95.00 C +ATOM 140 O GLY A 22 -23.749 12.349 -3.556 1.00 93.98 O +ATOM 141 N PRO A 23 -25.219 10.664 -3.532 1.00 94.64 N +ATOM 142 CA PRO A 23 -26.107 11.363 -4.451 1.00 94.37 C +ATOM 143 C PRO A 23 -26.711 12.591 -3.796 1.00 94.50 C +ATOM 144 O PRO A 23 -26.844 12.657 -2.576 1.00 91.98 O +ATOM 145 CB PRO A 23 -27.166 10.320 -4.807 1.00 92.23 C +ATOM 146 CG PRO A 23 -27.117 9.331 -3.704 1.00 90.75 C +ATOM 147 CD PRO A 23 -25.722 9.346 -3.152 1.00 93.56 C +HETATM 148 N HYP A 24 -27.156 13.581 -4.581 1.00 95.65 N +HETATM 149 CA HYP A 24 -27.813 14.701 -3.993 1.00 94.74 C +HETATM 150 C HYP A 24 -29.083 14.223 -3.339 1.00 92.97 C +HETATM 151 O HYP A 24 -29.793 13.434 -3.988 1.00 88.81 O +HETATM 152 CB HYP A 24 -28.095 15.677 -5.119 1.00 93.08 C +HETATM 153 CG HYP A 24 -27.117 15.319 -6.196 1.00 91.67 C +HETATM 154 CD HYP A 24 -26.841 13.838 -5.979 1.00 93.26 C +HETATM 155 OD1 HYP A 24 -25.932 16.032 -5.959 1.00 88.01 O +HETATM 156 OXT HYP A 24 -29.246 14.607 -2.191 1.00 83.56 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_632.txt b/protein_pdb_632.txt new file mode 100644 index 0000000000000000000000000000000000000000..df5964226c1274d3b3f3ae92fa46a15dafc62218 --- /dev/null +++ b/protein_pdb_632.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 19.616 -25.924 10.099 1.00 91.90 N +ATOM 2 CA GLY A 1 19.858 -25.361 8.775 1.00 94.02 C +ATOM 3 C GLY A 1 19.839 -23.844 8.797 1.00 95.41 C +ATOM 4 O GLY A 1 19.491 -23.245 9.809 1.00 93.83 O +ATOM 5 N PRO A 2 20.198 -23.190 7.714 1.00 95.80 N +ATOM 6 CA PRO A 2 20.192 -21.726 7.657 1.00 96.48 C +ATOM 7 C PRO A 2 18.768 -21.184 7.653 1.00 96.94 C +ATOM 8 O PRO A 2 17.817 -21.894 7.350 1.00 95.69 O +ATOM 9 CB PRO A 2 20.913 -21.405 6.353 1.00 94.74 C +ATOM 10 CG PRO A 2 20.659 -22.606 5.503 1.00 92.03 C +ATOM 11 CD PRO A 2 20.653 -23.771 6.451 1.00 94.47 C +HETATM 12 N HYP A 3 18.631 -19.944 8.002 1.00 97.18 N +HETATM 13 CA HYP A 3 17.364 -19.240 7.937 1.00 96.58 C +HETATM 14 C HYP A 3 16.731 -19.277 6.558 1.00 97.47 C +HETATM 15 O HYP A 3 17.469 -19.167 5.534 1.00 97.11 O +HETATM 16 CB HYP A 3 17.697 -17.816 8.340 1.00 95.59 C +HETATM 17 CG HYP A 3 18.969 -17.926 9.103 1.00 95.47 C +HETATM 18 CD HYP A 3 19.694 -19.092 8.442 1.00 96.22 C +HETATM 19 OD1 HYP A 3 18.713 -18.262 10.443 1.00 94.65 O +ATOM 20 N GLY A 4 15.385 -19.401 6.540 1.00 97.72 N +ATOM 21 CA GLY A 4 14.678 -19.392 5.274 1.00 97.48 C +ATOM 22 C GLY A 4 14.677 -17.995 4.672 1.00 97.50 C +ATOM 23 O GLY A 4 15.101 -17.029 5.312 1.00 97.13 O +ATOM 24 N PRO A 5 14.190 -17.870 3.448 1.00 97.61 N +ATOM 25 CA PRO A 5 14.162 -16.566 2.787 1.00 97.58 C +ATOM 26 C PRO A 5 13.103 -15.662 3.409 1.00 97.63 C +ATOM 27 O PRO A 5 12.183 -16.119 4.067 1.00 97.10 O +ATOM 28 CB PRO A 5 13.835 -16.904 1.337 1.00 96.57 C +ATOM 29 CG PRO A 5 13.028 -18.154 1.452 1.00 94.73 C +ATOM 30 CD PRO A 5 13.654 -18.924 2.586 1.00 96.75 C +HETATM 31 N HYP A 6 13.220 -14.358 3.202 1.00 97.75 N +HETATM 32 CA HYP A 6 12.196 -13.418 3.591 1.00 97.29 C +HETATM 33 C HYP A 6 10.857 -13.709 3.019 1.00 97.99 C +HETATM 34 O HYP A 6 10.806 -14.233 1.876 1.00 97.45 O +HETATM 35 CB HYP A 6 12.741 -12.059 3.178 1.00 96.01 C +HETATM 36 CG HYP A 6 14.201 -12.264 3.137 1.00 95.49 C +HETATM 37 CD HYP A 6 14.344 -13.699 2.684 1.00 96.61 C +HETATM 38 OD1 HYP A 6 14.749 -12.136 4.424 1.00 94.05 O +ATOM 39 N GLY A 7 9.801 -13.361 3.741 1.00 97.81 N +ATOM 40 CA GLY A 7 8.460 -13.571 3.247 1.00 97.89 C +ATOM 41 C GLY A 7 8.150 -12.637 2.091 1.00 98.12 C +ATOM 42 O GLY A 7 8.957 -11.771 1.741 1.00 98.05 O +ATOM 43 N PRO A 8 6.973 -12.807 1.499 1.00 97.92 N +ATOM 44 CA PRO A 8 6.584 -11.948 0.379 1.00 98.06 C +ATOM 45 C PRO A 8 6.329 -10.521 0.830 1.00 98.14 C +ATOM 46 O PRO A 8 6.076 -10.258 2.002 1.00 97.73 O +ATOM 47 CB PRO A 8 5.313 -12.605 -0.149 1.00 97.29 C +ATOM 48 CG PRO A 8 4.740 -13.282 1.049 1.00 95.70 C +ATOM 49 CD PRO A 8 5.930 -13.781 1.831 1.00 97.35 C +HETATM 50 N HYP A 9 6.385 -9.560 -0.080 1.00 97.97 N +HETATM 51 CA HYP A 9 6.053 -8.194 0.167 1.00 97.78 C +HETATM 52 C HYP A 9 4.646 -8.032 0.672 1.00 98.22 C +HETATM 53 O HYP A 9 3.773 -8.796 0.283 1.00 97.75 O +HETATM 54 CB HYP A 9 6.221 -7.484 -1.185 1.00 96.29 C +HETATM 55 CG HYP A 9 7.186 -8.353 -1.879 1.00 96.03 C +HETATM 56 CD HYP A 9 6.850 -9.743 -1.401 1.00 96.81 C +HETATM 57 OD1 HYP A 9 8.518 -8.042 -1.462 1.00 94.38 O +ATOM 58 N GLU A 10 4.446 -7.019 1.577 1.00 98.19 N +ATOM 59 CA GLU A 10 3.114 -6.729 2.067 1.00 97.98 C +ATOM 60 C GLU A 10 2.245 -6.220 0.924 1.00 98.21 C +ATOM 61 O GLU A 10 2.751 -5.630 -0.038 1.00 97.82 O +ATOM 62 CB GLU A 10 3.149 -5.655 3.157 1.00 96.83 C +ATOM 63 CG GLU A 10 3.690 -6.147 4.486 1.00 90.75 C +ATOM 64 CD GLU A 10 3.542 -5.096 5.566 1.00 88.43 C +ATOM 65 OE1 GLU A 10 4.224 -4.059 5.471 1.00 84.34 O +ATOM 66 OE2 GLU A 10 2.738 -5.305 6.485 1.00 83.74 O +ATOM 67 N PRO A 11 0.930 -6.425 1.013 1.00 98.11 N +ATOM 68 CA PRO A 11 0.025 -5.911 -0.020 1.00 98.04 C +ATOM 69 C PRO A 11 0.072 -4.392 -0.074 1.00 98.24 C +ATOM 70 O PRO A 11 0.394 -3.737 0.908 1.00 97.88 O +ATOM 71 CB PRO A 11 -1.356 -6.390 0.429 1.00 97.23 C +ATOM 72 CG PRO A 11 -1.082 -7.525 1.350 1.00 95.48 C +ATOM 73 CD PRO A 11 0.197 -7.184 2.035 1.00 97.27 C +HETATM 74 N HYP A 12 -0.247 -3.783 -1.222 1.00 98.25 N +HETATM 75 CA HYP A 12 -0.397 -2.348 -1.332 1.00 97.75 C +HETATM 76 C HYP A 12 -1.387 -1.787 -0.367 1.00 98.27 C +HETATM 77 O HYP A 12 -2.367 -2.474 -0.018 1.00 97.77 O +HETATM 78 CB HYP A 12 -0.879 -2.146 -2.795 1.00 97.01 C +HETATM 79 CG HYP A 12 -0.395 -3.358 -3.500 1.00 96.03 C +HETATM 80 CD HYP A 12 -0.461 -4.426 -2.460 1.00 97.20 C +HETATM 81 OD1 HYP A 12 0.979 -3.216 -3.878 1.00 95.16 O +ATOM 82 N GLY A 13 -1.137 -0.570 0.106 1.00 98.22 N +ATOM 83 CA GLY A 13 -2.055 0.084 1.000 1.00 98.29 C +ATOM 84 C GLY A 13 -3.361 0.411 0.295 1.00 98.43 C +ATOM 85 O GLY A 13 -3.482 0.243 -0.925 1.00 98.23 O +ATOM 86 N PRO A 14 -4.354 0.886 1.046 1.00 98.32 N +ATOM 87 CA PRO A 14 -5.640 1.221 0.447 1.00 98.37 C +ATOM 88 C PRO A 14 -5.535 2.453 -0.446 1.00 98.41 C +ATOM 89 O PRO A 14 -4.627 3.264 -0.292 1.00 98.16 O +ATOM 90 CB PRO A 14 -6.541 1.476 1.657 1.00 97.67 C +ATOM 91 CG PRO A 14 -5.593 1.932 2.708 1.00 96.19 C +ATOM 92 CD PRO A 14 -4.335 1.137 2.486 1.00 97.77 C +HETATM 93 N HYP A 15 -6.447 2.618 -1.384 1.00 98.19 N +HETATM 94 CA HYP A 15 -6.536 3.811 -2.197 1.00 97.87 C +HETATM 95 C HYP A 15 -6.666 5.070 -1.384 1.00 98.28 C +HETATM 96 O HYP A 15 -7.296 5.045 -0.327 1.00 97.84 O +HETATM 97 CB HYP A 15 -7.780 3.591 -3.049 1.00 97.10 C +HETATM 98 CG HYP A 15 -7.927 2.105 -3.076 1.00 96.55 C +HETATM 99 CD HYP A 15 -7.425 1.668 -1.747 1.00 97.33 C +HETATM 100 OD1 HYP A 15 -7.094 1.530 -4.080 1.00 95.48 O +ATOM 101 N GLY A 16 -6.076 6.162 -1.850 1.00 98.20 N +ATOM 102 CA GLY A 16 -6.218 7.429 -1.185 1.00 98.15 C +ATOM 103 C GLY A 16 -7.658 7.914 -1.263 1.00 98.31 C +ATOM 104 O GLY A 16 -8.470 7.360 -2.003 1.00 98.13 O +ATOM 105 N PRO A 17 -7.987 8.950 -0.505 1.00 98.14 N +ATOM 106 CA PRO A 17 -9.354 9.468 -0.519 1.00 98.09 C +ATOM 107 C PRO A 17 -9.672 10.149 -1.848 1.00 98.13 C +ATOM 108 O PRO A 17 -8.775 10.590 -2.556 1.00 97.73 O +ATOM 109 CB PRO A 17 -9.364 10.455 0.645 1.00 97.34 C +ATOM 110 CG PRO A 17 -7.949 10.897 0.750 1.00 96.00 C +ATOM 111 CD PRO A 17 -7.123 9.684 0.414 1.00 97.58 C +HETATM 112 N HYP A 18 -10.942 10.248 -2.206 1.00 97.87 N +HETATM 113 CA HYP A 18 -11.368 10.998 -3.343 1.00 97.58 C +HETATM 114 C HYP A 18 -10.950 12.436 -3.294 1.00 97.96 C +HETATM 115 O HYP A 18 -10.853 13.006 -2.191 1.00 97.44 O +HETATM 116 CB HYP A 18 -12.887 10.866 -3.329 1.00 96.95 C +HETATM 117 CG HYP A 18 -13.130 9.592 -2.599 1.00 96.42 C +HETATM 118 CD HYP A 18 -12.005 9.545 -1.606 1.00 97.12 C +HETATM 119 OD1 HYP A 18 -12.999 8.483 -3.480 1.00 95.12 O +ATOM 120 N GLY A 19 -10.693 13.033 -4.441 1.00 97.62 N +ATOM 121 CA GLY A 19 -10.373 14.433 -4.505 1.00 97.65 C +ATOM 122 C GLY A 19 -11.574 15.266 -4.092 1.00 97.91 C +ATOM 123 O GLY A 19 -12.689 14.751 -3.956 1.00 97.69 O +ATOM 124 N PRO A 20 -11.377 16.563 -3.905 1.00 97.30 N +ATOM 125 CA PRO A 20 -12.484 17.427 -3.504 1.00 97.36 C +ATOM 126 C PRO A 20 -13.479 17.603 -4.640 1.00 97.42 C +ATOM 127 O PRO A 20 -13.140 17.430 -5.806 1.00 96.76 O +ATOM 128 CB PRO A 20 -11.790 18.739 -3.145 1.00 96.36 C +ATOM 129 CG PRO A 20 -10.563 18.730 -3.987 1.00 94.78 C +ATOM 130 CD PRO A 20 -10.121 17.295 -4.035 1.00 96.79 C +HETATM 131 N HYP A 21 -14.712 17.979 -4.343 1.00 97.36 N +HETATM 132 CA HYP A 21 -15.705 18.250 -5.321 1.00 96.99 C +HETATM 133 C HYP A 21 -15.288 19.343 -6.281 1.00 97.57 C +HETATM 134 O HYP A 21 -14.617 20.286 -5.851 1.00 97.02 O +HETATM 135 CB HYP A 21 -16.931 18.722 -4.523 1.00 95.87 C +HETATM 136 CG HYP A 21 -16.731 18.069 -3.173 1.00 94.92 C +HETATM 137 CD HYP A 21 -15.234 18.075 -3.005 1.00 96.19 C +HETATM 138 OD1 HYP A 21 -17.177 16.714 -3.208 1.00 93.70 O +ATOM 139 N GLY A 22 -15.668 19.218 -7.567 1.00 96.34 N +ATOM 140 CA GLY A 22 -15.388 20.252 -8.526 1.00 96.17 C +ATOM 141 C GLY A 22 -16.182 21.506 -8.200 1.00 96.72 C +ATOM 142 O GLY A 22 -17.093 21.485 -7.366 1.00 96.06 O +ATOM 143 N PRO A 23 -15.874 22.622 -8.871 1.00 96.50 N +ATOM 144 CA PRO A 23 -16.599 23.858 -8.604 1.00 96.59 C +ATOM 145 C PRO A 23 -18.024 23.773 -9.118 1.00 96.32 C +ATOM 146 O PRO A 23 -18.318 23.016 -10.035 1.00 94.07 O +ATOM 147 CB PRO A 23 -15.787 24.916 -9.347 1.00 94.93 C +ATOM 148 CG PRO A 23 -15.139 24.160 -10.447 1.00 92.85 C +ATOM 149 CD PRO A 23 -14.824 22.803 -9.870 1.00 95.61 C +HETATM 150 N HYP A 24 -18.923 24.592 -8.630 1.00 96.49 N +HETATM 151 CA HYP A 24 -20.285 24.553 -9.097 1.00 95.52 C +HETATM 152 C HYP A 24 -20.359 24.920 -10.571 1.00 94.98 C +HETATM 153 O HYP A 24 -19.726 25.919 -10.945 1.00 91.99 O +HETATM 154 CB HYP A 24 -21.002 25.655 -8.268 1.00 94.25 C +HETATM 155 CG HYP A 24 -20.137 25.864 -7.054 1.00 93.14 C +HETATM 156 CD HYP A 24 -18.730 25.490 -7.515 1.00 94.82 C +HETATM 157 OD1 HYP A 24 -20.499 24.917 -6.078 1.00 90.70 O +HETATM 158 OXT HYP A 24 -21.015 24.154 -11.266 1.00 89.10 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_633.txt b/protein_pdb_633.txt new file mode 100644 index 0000000000000000000000000000000000000000..22ae8a44ef99cd6361e4d0a4ec7a9f42bd792506 --- /dev/null +++ b/protein_pdb_633.txt @@ -0,0 +1,159 @@ +ATOM 1 N GLY A 1 -31.983 10.301 -5.225 1.00 90.30 N +ATOM 2 CA GLY A 1 -31.472 9.181 -6.004 1.00 91.63 C +ATOM 3 C GLY A 1 -30.626 8.248 -5.164 1.00 92.92 C +ATOM 4 O GLY A 1 -30.348 8.541 -3.997 1.00 90.66 O +ATOM 5 N PRO A 2 -30.211 7.119 -5.705 1.00 90.82 N +ATOM 6 CA PRO A 2 -29.385 6.169 -4.961 1.00 92.58 C +ATOM 7 C PRO A 2 -27.973 6.701 -4.735 1.00 93.04 C +ATOM 8 O PRO A 2 -27.532 7.631 -5.402 1.00 90.43 O +ATOM 9 CB PRO A 2 -29.373 4.927 -5.855 1.00 89.95 C +ATOM 10 CG PRO A 2 -29.554 5.473 -7.229 1.00 86.92 C +ATOM 11 CD PRO A 2 -30.461 6.667 -7.072 1.00 89.13 C +HETATM 12 N HYP A 3 -27.324 6.139 -3.818 1.00 95.66 N +HETATM 13 CA HYP A 3 -25.889 6.432 -3.566 1.00 94.05 C +HETATM 14 C HYP A 3 -25.063 6.220 -4.794 1.00 95.88 C +HETATM 15 O HYP A 3 -25.332 5.297 -5.595 1.00 93.45 O +HETATM 16 CB HYP A 3 -25.524 5.495 -2.459 1.00 93.48 C +HETATM 17 CG HYP A 3 -26.801 5.175 -1.752 1.00 93.35 C +HETATM 18 CD HYP A 3 -27.822 5.147 -2.903 1.00 94.65 C +HETATM 19 OD1 HYP A 3 -27.151 6.189 -0.846 1.00 92.52 O +ATOM 20 N GLY A 4 -23.997 7.040 -4.925 1.00 95.52 N +ATOM 21 CA GLY A 4 -23.073 6.886 -6.026 1.00 94.89 C +ATOM 22 C GLY A 4 -22.232 5.627 -5.876 1.00 95.31 C +ATOM 23 O GLY A 4 -22.303 4.933 -4.855 1.00 94.48 O +ATOM 24 N PRO A 5 -21.433 5.320 -6.889 1.00 95.22 N +ATOM 25 CA PRO A 5 -20.596 4.120 -6.832 1.00 95.28 C +ATOM 26 C PRO A 5 -19.449 4.276 -5.841 1.00 95.43 C +ATOM 27 O PRO A 5 -19.074 5.378 -5.467 1.00 93.90 O +ATOM 28 CB PRO A 5 -20.079 3.983 -8.268 1.00 93.42 C +ATOM 29 CG PRO A 5 -20.056 5.383 -8.768 1.00 91.38 C +ATOM 30 CD PRO A 5 -21.241 6.066 -8.127 1.00 93.79 C +HETATM 31 N HYP A 6 -18.904 3.157 -5.401 1.00 96.58 N +HETATM 32 CA HYP A 6 -17.684 3.175 -4.591 1.00 95.65 C +HETATM 33 C HYP A 6 -16.528 3.859 -5.243 1.00 96.48 C +HETATM 34 O HYP A 6 -16.403 3.794 -6.484 1.00 94.71 O +HETATM 35 CB HYP A 6 -17.420 1.689 -4.319 1.00 94.84 C +HETATM 36 CG HYP A 6 -18.754 1.027 -4.473 1.00 94.08 C +HETATM 37 CD HYP A 6 -19.406 1.851 -5.567 1.00 95.21 C +HETATM 38 OD1 HYP A 6 -19.504 1.127 -3.292 1.00 91.66 O +ATOM 39 N GLY A 7 -15.684 4.493 -4.431 1.00 96.21 N +ATOM 40 CA GLY A 7 -14.496 5.135 -4.949 1.00 95.86 C +ATOM 41 C GLY A 7 -13.498 4.122 -5.476 1.00 96.33 C +ATOM 42 O GLY A 7 -13.684 2.912 -5.345 1.00 95.89 O +ATOM 43 N PRO A 8 -12.415 4.614 -6.075 1.00 96.11 N +ATOM 44 CA PRO A 8 -11.403 3.710 -6.617 1.00 96.25 C +ATOM 45 C PRO A 8 -10.641 2.986 -5.514 1.00 96.41 C +ATOM 46 O PRO A 8 -10.599 3.432 -4.371 1.00 95.11 O +ATOM 47 CB PRO A 8 -10.483 4.642 -7.412 1.00 95.09 C +ATOM 48 CG PRO A 8 -10.629 5.954 -6.732 1.00 93.96 C +ATOM 49 CD PRO A 8 -12.062 6.016 -6.265 1.00 95.60 C +HETATM 50 N HYP A 9 -10.017 1.866 -5.827 1.00 96.55 N +HETATM 51 CA HYP A 9 -9.192 1.110 -4.921 1.00 95.51 C +HETATM 52 C HYP A 9 -8.011 1.927 -4.429 1.00 96.91 C +HETATM 53 O HYP A 9 -7.515 2.818 -5.152 1.00 95.32 O +HETATM 54 CB HYP A 9 -8.651 -0.051 -5.790 1.00 94.75 C +HETATM 55 CG HYP A 9 -9.709 -0.197 -6.810 1.00 94.49 C +HETATM 56 CD HYP A 9 -10.136 1.231 -7.087 1.00 95.28 C +HETATM 57 OD1 HYP A 9 -10.821 -0.915 -6.286 1.00 92.07 O +ATOM 58 N ASP A 10 -7.621 1.614 -3.154 1.00 96.91 N +ATOM 59 CA ASP A 10 -6.427 2.234 -2.604 1.00 96.77 C +ATOM 60 C ASP A 10 -5.212 1.789 -3.413 1.00 96.97 C +ATOM 61 O ASP A 10 -5.206 0.692 -3.979 1.00 96.33 O +ATOM 62 CB ASP A 10 -6.212 1.819 -1.145 1.00 95.57 C +ATOM 63 CG ASP A 10 -7.280 2.353 -0.207 1.00 92.01 C +ATOM 64 OD1 ASP A 10 -7.843 3.434 -0.475 1.00 90.72 O +ATOM 65 OD2 ASP A 10 -7.541 1.688 0.813 1.00 88.82 O +ATOM 66 N PRO A 11 -4.163 2.624 -3.458 1.00 96.35 N +ATOM 67 CA PRO A 11 -2.951 2.220 -4.175 1.00 96.34 C +ATOM 68 C PRO A 11 -2.226 1.085 -3.460 1.00 96.53 C +ATOM 69 O PRO A 11 -2.396 0.886 -2.261 1.00 95.58 O +ATOM 70 CB PRO A 11 -2.110 3.504 -4.213 1.00 95.25 C +ATOM 71 CG PRO A 11 -2.616 4.302 -3.069 1.00 94.15 C +ATOM 72 CD PRO A 11 -4.063 3.980 -2.922 1.00 95.57 C +HETATM 73 N HYP A 12 -1.402 0.340 -4.174 1.00 96.96 N +HETATM 74 CA HYP A 12 -0.566 -0.718 -3.590 1.00 95.59 C +HETATM 75 C HYP A 12 0.400 -0.205 -2.564 1.00 97.06 C +HETATM 76 O HYP A 12 0.827 0.966 -2.627 1.00 94.70 O +HETATM 77 CB HYP A 12 0.204 -1.250 -4.812 1.00 95.11 C +HETATM 78 CG HYP A 12 -0.663 -0.890 -5.988 1.00 94.14 C +HETATM 79 CD HYP A 12 -1.265 0.399 -5.582 1.00 95.68 C +HETATM 80 OD1 HYP A 12 -1.712 -1.852 -6.151 1.00 92.39 O +ATOM 81 N GLY A 13 0.717 -1.017 -1.592 1.00 96.41 N +ATOM 82 CA GLY A 13 1.703 -0.657 -0.604 1.00 96.09 C +ATOM 83 C GLY A 13 3.099 -0.604 -1.213 1.00 96.53 C +ATOM 84 O GLY A 13 3.300 -0.979 -2.376 1.00 96.07 O +ATOM 85 N PRO A 14 4.072 -0.136 -0.441 1.00 96.14 N +ATOM 86 CA PRO A 14 5.436 -0.043 -0.950 1.00 96.28 C +ATOM 87 C PRO A 14 6.069 -1.422 -1.133 1.00 96.30 C +ATOM 88 O PRO A 14 5.650 -2.392 -0.516 1.00 95.36 O +ATOM 89 CB PRO A 14 6.163 0.770 0.127 1.00 95.22 C +ATOM 90 CG PRO A 14 5.394 0.497 1.371 1.00 94.51 C +ATOM 91 CD PRO A 14 3.963 0.345 0.948 1.00 95.93 C +HETATM 92 N HYP A 15 7.089 -1.522 -1.986 1.00 96.38 N +HETATM 93 CA HYP A 15 7.873 -2.732 -2.119 1.00 95.37 C +HETATM 94 C HYP A 15 8.524 -3.159 -0.816 1.00 96.48 C +HETATM 95 O HYP A 15 8.866 -2.310 0.013 1.00 94.92 O +HETATM 96 CB HYP A 15 8.920 -2.362 -3.153 1.00 94.34 C +HETATM 97 CG HYP A 15 8.264 -1.269 -3.935 1.00 93.31 C +HETATM 98 CD HYP A 15 7.455 -0.539 -2.908 1.00 95.39 C +HETATM 99 OD1 HYP A 15 7.377 -1.798 -4.907 1.00 92.42 O +ATOM 100 N GLY A 16 8.698 -4.468 -0.654 1.00 94.81 N +ATOM 101 CA GLY A 16 9.388 -4.986 0.505 1.00 93.97 C +ATOM 102 C GLY A 16 10.862 -4.613 0.485 1.00 94.70 C +ATOM 103 O GLY A 16 11.376 -4.083 -0.504 1.00 94.25 O +ATOM 104 N PRO A 17 11.564 -4.907 1.573 1.00 95.31 N +ATOM 105 CA PRO A 17 12.978 -4.561 1.651 1.00 95.48 C +ATOM 106 C PRO A 17 13.821 -5.431 0.726 1.00 95.21 C +ATOM 107 O PRO A 17 13.424 -6.524 0.344 1.00 94.03 O +ATOM 108 CB PRO A 17 13.326 -4.803 3.122 1.00 93.98 C +ATOM 109 CG PRO A 17 12.347 -5.836 3.557 1.00 92.71 C +ATOM 110 CD PRO A 17 11.074 -5.546 2.800 1.00 94.68 C +HETATM 111 N HYP A 18 15.014 -4.977 0.348 1.00 95.87 N +HETATM 112 CA HYP A 18 15.946 -5.743 -0.384 1.00 95.75 C +HETATM 113 C HYP A 18 16.337 -7.036 0.316 1.00 96.58 C +HETATM 114 O HYP A 18 16.365 -7.088 1.565 1.00 94.77 O +HETATM 115 CB HYP A 18 17.151 -4.813 -0.541 1.00 94.98 C +HETATM 116 CG HYP A 18 16.552 -3.462 -0.446 1.00 93.81 C +HETATM 117 CD HYP A 18 15.428 -3.646 0.542 1.00 95.36 C +HETATM 118 OD1 HYP A 18 16.003 -3.055 -1.683 1.00 91.91 O +ATOM 119 N GLY A 19 16.647 -8.056 -0.465 1.00 94.42 N +ATOM 120 CA GLY A 19 17.110 -9.302 0.086 1.00 94.05 C +ATOM 121 C GLY A 19 18.473 -9.137 0.745 1.00 94.72 C +ATOM 122 O GLY A 19 19.102 -8.088 0.657 1.00 94.09 O +ATOM 123 N PRO A 20 18.936 -10.193 1.409 1.00 94.20 N +ATOM 124 CA PRO A 20 20.217 -10.109 2.103 1.00 94.19 C +ATOM 125 C PRO A 20 21.389 -10.050 1.129 1.00 94.02 C +ATOM 126 O PRO A 20 21.281 -10.468 -0.018 1.00 92.27 O +ATOM 127 CB PRO A 20 20.249 -11.391 2.941 1.00 92.23 C +ATOM 128 CG PRO A 20 19.385 -12.331 2.179 1.00 90.53 C +ATOM 129 CD PRO A 20 18.302 -11.492 1.564 1.00 93.26 C +HETATM 130 N HYP A 21 22.536 -9.562 1.558 1.00 95.65 N +HETATM 131 CA HYP A 21 23.737 -9.506 0.774 1.00 94.88 C +HETATM 132 C HYP A 21 24.213 -10.860 0.342 1.00 96.29 C +HETATM 133 O HYP A 21 24.065 -11.851 1.095 1.00 94.40 O +HETATM 134 CB HYP A 21 24.774 -8.892 1.709 1.00 93.76 C +HETATM 135 CG HYP A 21 23.965 -8.113 2.709 1.00 92.30 C +HETATM 136 CD HYP A 21 22.711 -8.929 2.841 1.00 94.09 C +HETATM 137 OD1 HYP A 21 23.620 -6.838 2.167 1.00 90.50 O +ATOM 138 N GLY A 22 24.754 -10.988 -0.851 1.00 93.02 N +ATOM 139 CA GLY A 22 25.332 -12.218 -1.308 1.00 92.75 C +ATOM 140 C GLY A 22 26.608 -12.541 -0.541 1.00 93.60 C +ATOM 141 O GLY A 22 27.107 -11.723 0.236 1.00 92.72 O +ATOM 142 N PRO A 23 27.188 -13.725 -0.765 1.00 91.84 N +ATOM 143 CA PRO A 23 28.408 -14.096 -0.060 1.00 92.15 C +ATOM 144 C PRO A 23 29.598 -13.295 -0.552 1.00 92.14 C +ATOM 145 O PRO A 23 29.614 -12.799 -1.677 1.00 88.69 O +ATOM 146 CB PRO A 23 28.560 -15.584 -0.372 1.00 89.33 C +ATOM 147 CG PRO A 23 27.863 -15.750 -1.675 1.00 87.18 C +ATOM 148 CD PRO A 23 26.718 -14.774 -1.664 1.00 90.64 C +HETATM 149 N HYP A 24 30.698 -13.202 0.243 1.00 94.35 N +HETATM 150 CA HYP A 24 31.855 -12.497 -0.194 1.00 93.44 C +HETATM 151 C HYP A 24 32.589 -13.312 -1.303 1.00 91.48 C +HETATM 152 O HYP A 24 32.415 -14.520 -1.308 1.00 89.04 O +HETATM 153 CB HYP A 24 32.828 -12.499 1.014 1.00 91.65 C +HETATM 154 CG HYP A 24 31.945 -12.740 2.187 1.00 91.40 C +HETATM 155 CD HYP A 24 30.781 -13.563 1.642 1.00 92.52 C +HETATM 156 OD1 HYP A 24 31.440 -11.489 2.606 1.00 88.13 O +HETATM 157 OXT HYP A 24 33.375 -12.699 -2.050 1.00 85.84 O +TER 158 HYP A 24 +END diff --git a/protein_pdb_64.txt b/protein_pdb_64.txt new file mode 100644 index 0000000000000000000000000000000000000000..3b58f9e8eb8717042c14b7984ef0340d7e52eba0 --- /dev/null +++ b/protein_pdb_64.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 30.970 -11.816 12.502 1.00 90.10 N +ATOM 2 CA GLY A 1 30.006 -12.547 11.682 1.00 91.22 C +ATOM 3 C GLY A 1 29.525 -11.701 10.520 1.00 92.04 C +ATOM 4 O GLY A 1 29.848 -10.516 10.427 1.00 89.58 O +ATOM 5 N PRO A 2 28.750 -12.276 9.625 1.00 91.62 N +ATOM 6 CA PRO A 2 28.231 -11.526 8.484 1.00 92.98 C +ATOM 7 C PRO A 2 27.194 -10.504 8.920 1.00 93.20 C +ATOM 8 O PRO A 2 26.607 -10.612 9.994 1.00 91.11 O +ATOM 9 CB PRO A 2 27.604 -12.606 7.591 1.00 90.39 C +ATOM 10 CG PRO A 2 27.207 -13.671 8.556 1.00 87.30 C +ATOM 11 CD PRO A 2 28.272 -13.657 9.625 1.00 88.98 C +HETATM 12 N HYP A 3 27.009 -9.508 8.110 1.00 94.47 N +HETATM 13 CA HYP A 3 25.946 -8.522 8.337 1.00 94.36 C +HETATM 14 C HYP A 3 24.607 -9.211 8.490 1.00 94.68 C +HETATM 15 O HYP A 3 24.344 -10.235 7.844 1.00 91.69 O +HETATM 16 CB HYP A 3 25.977 -7.679 7.065 1.00 93.03 C +HETATM 17 CG HYP A 3 27.377 -7.822 6.525 1.00 92.34 C +HETATM 18 CD HYP A 3 27.734 -9.283 6.859 1.00 93.91 C +HETATM 19 OD1 HYP A 3 28.259 -6.972 7.183 1.00 92.48 O +ATOM 20 N GLY A 4 23.773 -8.635 9.341 1.00 95.02 N +ATOM 21 CA GLY A 4 22.440 -9.165 9.507 1.00 94.17 C +ATOM 22 C GLY A 4 21.617 -8.970 8.246 1.00 94.24 C +ATOM 23 O GLY A 4 22.014 -8.239 7.333 1.00 93.47 O +ATOM 24 N PRO A 5 20.466 -9.615 8.182 1.00 94.74 N +ATOM 25 CA PRO A 5 19.612 -9.477 7.001 1.00 94.49 C +ATOM 26 C PRO A 5 18.971 -8.097 6.942 1.00 94.50 C +ATOM 27 O PRO A 5 18.886 -7.396 7.942 1.00 93.68 O +ATOM 28 CB PRO A 5 18.569 -10.575 7.187 1.00 92.92 C +ATOM 29 CG PRO A 5 18.475 -10.716 8.671 1.00 91.05 C +ATOM 30 CD PRO A 5 19.876 -10.492 9.183 1.00 92.51 C +HETATM 31 N HYP A 6 18.538 -7.699 5.770 1.00 95.28 N +HETATM 32 CA HYP A 6 17.747 -6.476 5.630 1.00 95.16 C +HETATM 33 C HYP A 6 16.520 -6.492 6.472 1.00 93.75 C +HETATM 34 O HYP A 6 15.945 -7.568 6.729 1.00 93.63 O +HETATM 35 CB HYP A 6 17.402 -6.439 4.130 1.00 93.30 C +HETATM 36 CG HYP A 6 18.506 -7.234 3.477 1.00 91.58 C +HETATM 37 CD HYP A 6 18.787 -8.315 4.507 1.00 94.15 C +HETATM 38 OD1 HYP A 6 19.638 -6.430 3.288 1.00 91.80 O +ATOM 39 N GLY A 7 16.102 -5.341 6.928 1.00 95.52 N +ATOM 40 CA GLY A 7 14.893 -5.246 7.711 1.00 94.86 C +ATOM 41 C GLY A 7 13.681 -5.652 6.900 1.00 95.13 C +ATOM 42 O GLY A 7 13.750 -5.822 5.683 1.00 94.61 O +ATOM 43 N PRO A 8 12.547 -5.808 7.576 1.00 95.04 N +ATOM 44 CA PRO A 8 11.326 -6.189 6.873 1.00 94.87 C +ATOM 45 C PRO A 8 10.807 -5.053 6.000 1.00 94.83 C +ATOM 46 O PRO A 8 11.131 -3.895 6.214 1.00 93.87 O +ATOM 47 CB PRO A 8 10.352 -6.512 8.005 1.00 93.78 C +ATOM 48 CG PRO A 8 10.830 -5.663 9.131 1.00 93.04 C +ATOM 49 CD PRO A 8 12.330 -5.633 9.008 1.00 94.27 C +HETATM 50 N HYP A 9 10.005 -5.350 5.027 1.00 95.17 N +HETATM 51 CA HYP A 9 9.335 -4.367 4.205 1.00 94.69 C +HETATM 52 C HYP A 9 8.449 -3.481 5.007 1.00 95.65 C +HETATM 53 O HYP A 9 7.903 -3.903 6.022 1.00 94.36 O +HETATM 54 CB HYP A 9 8.496 -5.243 3.242 1.00 93.41 C +HETATM 55 CG HYP A 9 9.310 -6.489 3.129 1.00 91.67 C +HETATM 56 CD HYP A 9 9.822 -6.649 4.523 1.00 94.22 C +HETATM 57 OD1 HYP A 9 10.396 -6.294 2.247 1.00 90.58 O +ATOM 58 N GLY A 10 8.355 -2.232 4.592 1.00 95.87 N +ATOM 59 CA GLY A 10 7.501 -1.293 5.276 1.00 94.90 C +ATOM 60 C GLY A 10 6.054 -1.709 5.229 1.00 95.20 C +ATOM 61 O GLY A 10 5.657 -2.608 4.474 1.00 94.48 O +ATOM 62 N ALA A 11 5.256 -1.046 6.041 1.00 95.02 N +ATOM 63 CA ALA A 11 3.828 -1.319 6.087 1.00 94.77 C +ATOM 64 C ALA A 11 3.176 -0.971 4.757 1.00 94.89 C +ATOM 65 O ALA A 11 3.637 -0.100 4.029 1.00 93.32 O +ATOM 66 CB ALA A 11 3.185 -0.515 7.201 1.00 93.12 C +HETATM 67 N HYP A 12 2.095 -1.626 4.396 1.00 95.38 N +HETATM 68 CA HYP A 12 1.307 -1.291 3.238 1.00 95.55 C +HETATM 69 C HYP A 12 0.839 0.116 3.259 1.00 95.85 C +HETATM 70 O HYP A 12 0.603 0.680 4.333 1.00 93.89 O +HETATM 71 CB HYP A 12 0.160 -2.270 3.246 1.00 93.84 C +HETATM 72 CG HYP A 12 0.685 -3.423 4.008 1.00 92.30 C +HETATM 73 CD HYP A 12 1.556 -2.783 5.002 1.00 94.45 C +HETATM 74 OD1 HYP A 12 1.467 -4.261 3.191 1.00 91.35 O +ATOM 75 N GLY A 13 0.719 0.707 2.095 1.00 95.63 N +ATOM 76 CA GLY A 13 0.206 2.050 1.984 1.00 94.86 C +ATOM 77 C GLY A 13 -1.261 2.115 2.385 1.00 95.33 C +ATOM 78 O GLY A 13 -1.903 1.085 2.628 1.00 94.87 O +ATOM 79 N PRO A 14 -1.811 3.325 2.447 1.00 94.82 N +ATOM 80 CA PRO A 14 -3.215 3.475 2.807 1.00 94.55 C +ATOM 81 C PRO A 14 -4.128 2.963 1.702 1.00 94.54 C +ATOM 82 O PRO A 14 -3.719 2.838 0.554 1.00 93.21 O +ATOM 83 CB PRO A 14 -3.370 4.983 3.004 1.00 93.51 C +ATOM 84 CG PRO A 14 -2.321 5.566 2.122 1.00 92.71 C +ATOM 85 CD PRO A 14 -1.164 4.609 2.176 1.00 93.89 C +HETATM 86 N HYP A 15 -5.376 2.676 2.021 1.00 93.57 N +HETATM 87 CA HYP A 15 -6.358 2.287 1.034 1.00 93.58 C +HETATM 88 C HYP A 15 -6.527 3.318 -0.040 1.00 94.57 C +HETATM 89 O HYP A 15 -6.393 4.538 0.224 1.00 90.60 O +HETATM 90 CB HYP A 15 -7.640 2.158 1.838 1.00 92.71 C +HETATM 91 CG HYP A 15 -7.162 1.886 3.228 1.00 92.37 C +HETATM 92 CD HYP A 15 -5.900 2.687 3.330 1.00 94.24 C +HETATM 93 OD1 HYP A 15 -6.828 0.530 3.407 1.00 91.63 O +ATOM 94 N GLY A 16 -6.797 2.888 -1.239 1.00 93.01 N +ATOM 95 CA GLY A 16 -7.084 3.807 -2.314 1.00 91.16 C +ATOM 96 C GLY A 16 -8.383 4.549 -2.055 1.00 91.92 C +ATOM 97 O GLY A 16 -9.155 4.206 -1.154 1.00 91.84 O +ATOM 98 N PRO A 17 -8.647 5.572 -2.864 1.00 92.50 N +ATOM 99 CA PRO A 17 -9.875 6.335 -2.689 1.00 92.58 C +ATOM 100 C PRO A 17 -11.092 5.523 -3.115 1.00 92.03 C +ATOM 101 O PRO A 17 -10.977 4.562 -3.863 1.00 90.72 O +ATOM 102 CB PRO A 17 -9.666 7.549 -3.599 1.00 90.96 C +ATOM 103 CG PRO A 17 -8.756 7.049 -4.656 1.00 89.55 C +ATOM 104 CD PRO A 17 -7.826 6.079 -3.969 1.00 91.57 C +HETATM 105 N HYP A 18 -12.264 5.882 -2.651 1.00 93.26 N +HETATM 106 CA HYP A 18 -13.493 5.296 -3.095 1.00 94.19 C +HETATM 107 C HYP A 18 -13.676 5.396 -4.579 1.00 93.96 C +HETATM 108 O HYP A 18 -13.211 6.384 -5.201 1.00 92.22 O +HETATM 109 CB HYP A 18 -14.558 6.039 -2.361 1.00 93.33 C +HETATM 110 CG HYP A 18 -13.873 6.545 -1.121 1.00 92.94 C +HETATM 111 CD HYP A 18 -12.465 6.833 -1.611 1.00 93.92 C +HETATM 112 OD1 HYP A 18 -13.810 5.539 -0.131 1.00 91.55 O +ATOM 113 N GLY A 19 -14.280 4.403 -5.181 1.00 93.31 N +ATOM 114 CA GLY A 19 -14.558 4.448 -6.591 1.00 92.57 C +ATOM 115 C GLY A 19 -15.547 5.561 -6.914 1.00 92.83 C +ATOM 116 O GLY A 19 -16.165 6.141 -6.018 1.00 92.29 O +ATOM 117 N PRO A 20 -15.718 5.850 -8.190 1.00 92.81 N +ATOM 118 CA PRO A 20 -16.640 6.908 -8.581 1.00 92.38 C +ATOM 119 C PRO A 20 -18.084 6.475 -8.373 1.00 91.93 C +ATOM 120 O PRO A 20 -18.385 5.288 -8.316 1.00 89.77 O +ATOM 121 CB PRO A 20 -16.322 7.116 -10.065 1.00 90.04 C +ATOM 122 CG PRO A 20 -15.823 5.787 -10.510 1.00 87.91 C +ATOM 123 CD PRO A 20 -15.053 5.232 -9.341 1.00 90.82 C +HETATM 124 N HYP A 21 -18.999 7.406 -8.280 1.00 94.28 N +HETATM 125 CA HYP A 21 -20.401 7.126 -8.182 1.00 94.25 C +HETATM 126 C HYP A 21 -20.910 6.373 -9.401 1.00 94.99 C +HETATM 127 O HYP A 21 -20.382 6.560 -10.512 1.00 92.74 O +HETATM 128 CB HYP A 21 -21.053 8.515 -8.171 1.00 92.88 C +HETATM 129 CG HYP A 21 -19.991 9.435 -7.607 1.00 92.70 C +HETATM 130 CD HYP A 21 -18.717 8.844 -8.173 1.00 93.69 C +HETATM 131 OD1 HYP A 21 -19.933 9.327 -6.184 1.00 90.64 O +ATOM 132 N GLY A 22 -21.872 5.508 -9.216 1.00 90.54 N +ATOM 133 CA GLY A 22 -22.461 4.808 -10.329 1.00 89.36 C +ATOM 134 C GLY A 22 -23.152 5.782 -11.276 1.00 89.64 C +ATOM 135 O GLY A 22 -23.329 6.960 -10.963 1.00 88.27 O +ATOM 136 N PRO A 23 -23.580 5.297 -12.434 1.00 89.14 N +ATOM 137 CA PRO A 23 -24.237 6.167 -13.400 1.00 89.36 C +ATOM 138 C PRO A 23 -25.625 6.557 -12.926 1.00 88.64 C +ATOM 139 O PRO A 23 -26.241 5.862 -12.122 1.00 84.93 O +ATOM 140 CB PRO A 23 -24.293 5.311 -14.667 1.00 85.23 C +ATOM 141 CG PRO A 23 -24.343 3.917 -14.147 1.00 81.33 C +ATOM 142 CD PRO A 23 -23.472 3.918 -12.916 1.00 84.58 C +HETATM 143 N HYP A 24 -26.157 7.608 -13.447 1.00 91.06 N +HETATM 144 CA HYP A 24 -27.517 7.969 -13.134 1.00 89.93 C +HETATM 145 C HYP A 24 -28.447 6.905 -13.625 1.00 89.56 C +HETATM 146 O HYP A 24 -28.195 6.398 -14.731 1.00 86.89 O +HETATM 147 CB HYP A 24 -27.776 9.296 -13.861 1.00 90.57 C +HETATM 148 CG HYP A 24 -26.423 9.874 -14.122 1.00 89.99 C +HETATM 149 CD HYP A 24 -25.514 8.642 -14.249 1.00 90.29 C +HETATM 150 OD1 HYP A 24 -26.021 10.602 -12.975 1.00 85.07 O +HETATM 151 OXT HYP A 24 -29.394 6.624 -12.881 1.00 80.13 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_65.txt b/protein_pdb_65.txt new file mode 100644 index 0000000000000000000000000000000000000000..3b58f9e8eb8717042c14b7984ef0340d7e52eba0 --- /dev/null +++ b/protein_pdb_65.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 30.970 -11.816 12.502 1.00 90.10 N +ATOM 2 CA GLY A 1 30.006 -12.547 11.682 1.00 91.22 C +ATOM 3 C GLY A 1 29.525 -11.701 10.520 1.00 92.04 C +ATOM 4 O GLY A 1 29.848 -10.516 10.427 1.00 89.58 O +ATOM 5 N PRO A 2 28.750 -12.276 9.625 1.00 91.62 N +ATOM 6 CA PRO A 2 28.231 -11.526 8.484 1.00 92.98 C +ATOM 7 C PRO A 2 27.194 -10.504 8.920 1.00 93.20 C +ATOM 8 O PRO A 2 26.607 -10.612 9.994 1.00 91.11 O +ATOM 9 CB PRO A 2 27.604 -12.606 7.591 1.00 90.39 C +ATOM 10 CG PRO A 2 27.207 -13.671 8.556 1.00 87.30 C +ATOM 11 CD PRO A 2 28.272 -13.657 9.625 1.00 88.98 C +HETATM 12 N HYP A 3 27.009 -9.508 8.110 1.00 94.47 N +HETATM 13 CA HYP A 3 25.946 -8.522 8.337 1.00 94.36 C +HETATM 14 C HYP A 3 24.607 -9.211 8.490 1.00 94.68 C +HETATM 15 O HYP A 3 24.344 -10.235 7.844 1.00 91.69 O +HETATM 16 CB HYP A 3 25.977 -7.679 7.065 1.00 93.03 C +HETATM 17 CG HYP A 3 27.377 -7.822 6.525 1.00 92.34 C +HETATM 18 CD HYP A 3 27.734 -9.283 6.859 1.00 93.91 C +HETATM 19 OD1 HYP A 3 28.259 -6.972 7.183 1.00 92.48 O +ATOM 20 N GLY A 4 23.773 -8.635 9.341 1.00 95.02 N +ATOM 21 CA GLY A 4 22.440 -9.165 9.507 1.00 94.17 C +ATOM 22 C GLY A 4 21.617 -8.970 8.246 1.00 94.24 C +ATOM 23 O GLY A 4 22.014 -8.239 7.333 1.00 93.47 O +ATOM 24 N PRO A 5 20.466 -9.615 8.182 1.00 94.74 N +ATOM 25 CA PRO A 5 19.612 -9.477 7.001 1.00 94.49 C +ATOM 26 C PRO A 5 18.971 -8.097 6.942 1.00 94.50 C +ATOM 27 O PRO A 5 18.886 -7.396 7.942 1.00 93.68 O +ATOM 28 CB PRO A 5 18.569 -10.575 7.187 1.00 92.92 C +ATOM 29 CG PRO A 5 18.475 -10.716 8.671 1.00 91.05 C +ATOM 30 CD PRO A 5 19.876 -10.492 9.183 1.00 92.51 C +HETATM 31 N HYP A 6 18.538 -7.699 5.770 1.00 95.28 N +HETATM 32 CA HYP A 6 17.747 -6.476 5.630 1.00 95.16 C +HETATM 33 C HYP A 6 16.520 -6.492 6.472 1.00 93.75 C +HETATM 34 O HYP A 6 15.945 -7.568 6.729 1.00 93.63 O +HETATM 35 CB HYP A 6 17.402 -6.439 4.130 1.00 93.30 C +HETATM 36 CG HYP A 6 18.506 -7.234 3.477 1.00 91.58 C +HETATM 37 CD HYP A 6 18.787 -8.315 4.507 1.00 94.15 C +HETATM 38 OD1 HYP A 6 19.638 -6.430 3.288 1.00 91.80 O +ATOM 39 N GLY A 7 16.102 -5.341 6.928 1.00 95.52 N +ATOM 40 CA GLY A 7 14.893 -5.246 7.711 1.00 94.86 C +ATOM 41 C GLY A 7 13.681 -5.652 6.900 1.00 95.13 C +ATOM 42 O GLY A 7 13.750 -5.822 5.683 1.00 94.61 O +ATOM 43 N PRO A 8 12.547 -5.808 7.576 1.00 95.04 N +ATOM 44 CA PRO A 8 11.326 -6.189 6.873 1.00 94.87 C +ATOM 45 C PRO A 8 10.807 -5.053 6.000 1.00 94.83 C +ATOM 46 O PRO A 8 11.131 -3.895 6.214 1.00 93.87 O +ATOM 47 CB PRO A 8 10.352 -6.512 8.005 1.00 93.78 C +ATOM 48 CG PRO A 8 10.830 -5.663 9.131 1.00 93.04 C +ATOM 49 CD PRO A 8 12.330 -5.633 9.008 1.00 94.27 C +HETATM 50 N HYP A 9 10.005 -5.350 5.027 1.00 95.17 N +HETATM 51 CA HYP A 9 9.335 -4.367 4.205 1.00 94.69 C +HETATM 52 C HYP A 9 8.449 -3.481 5.007 1.00 95.65 C +HETATM 53 O HYP A 9 7.903 -3.903 6.022 1.00 94.36 O +HETATM 54 CB HYP A 9 8.496 -5.243 3.242 1.00 93.41 C +HETATM 55 CG HYP A 9 9.310 -6.489 3.129 1.00 91.67 C +HETATM 56 CD HYP A 9 9.822 -6.649 4.523 1.00 94.22 C +HETATM 57 OD1 HYP A 9 10.396 -6.294 2.247 1.00 90.58 O +ATOM 58 N GLY A 10 8.355 -2.232 4.592 1.00 95.87 N +ATOM 59 CA GLY A 10 7.501 -1.293 5.276 1.00 94.90 C +ATOM 60 C GLY A 10 6.054 -1.709 5.229 1.00 95.20 C +ATOM 61 O GLY A 10 5.657 -2.608 4.474 1.00 94.48 O +ATOM 62 N ALA A 11 5.256 -1.046 6.041 1.00 95.02 N +ATOM 63 CA ALA A 11 3.828 -1.319 6.087 1.00 94.77 C +ATOM 64 C ALA A 11 3.176 -0.971 4.757 1.00 94.89 C +ATOM 65 O ALA A 11 3.637 -0.100 4.029 1.00 93.32 O +ATOM 66 CB ALA A 11 3.185 -0.515 7.201 1.00 93.12 C +HETATM 67 N HYP A 12 2.095 -1.626 4.396 1.00 95.38 N +HETATM 68 CA HYP A 12 1.307 -1.291 3.238 1.00 95.55 C +HETATM 69 C HYP A 12 0.839 0.116 3.259 1.00 95.85 C +HETATM 70 O HYP A 12 0.603 0.680 4.333 1.00 93.89 O +HETATM 71 CB HYP A 12 0.160 -2.270 3.246 1.00 93.84 C +HETATM 72 CG HYP A 12 0.685 -3.423 4.008 1.00 92.30 C +HETATM 73 CD HYP A 12 1.556 -2.783 5.002 1.00 94.45 C +HETATM 74 OD1 HYP A 12 1.467 -4.261 3.191 1.00 91.35 O +ATOM 75 N GLY A 13 0.719 0.707 2.095 1.00 95.63 N +ATOM 76 CA GLY A 13 0.206 2.050 1.984 1.00 94.86 C +ATOM 77 C GLY A 13 -1.261 2.115 2.385 1.00 95.33 C +ATOM 78 O GLY A 13 -1.903 1.085 2.628 1.00 94.87 O +ATOM 79 N PRO A 14 -1.811 3.325 2.447 1.00 94.82 N +ATOM 80 CA PRO A 14 -3.215 3.475 2.807 1.00 94.55 C +ATOM 81 C PRO A 14 -4.128 2.963 1.702 1.00 94.54 C +ATOM 82 O PRO A 14 -3.719 2.838 0.554 1.00 93.21 O +ATOM 83 CB PRO A 14 -3.370 4.983 3.004 1.00 93.51 C +ATOM 84 CG PRO A 14 -2.321 5.566 2.122 1.00 92.71 C +ATOM 85 CD PRO A 14 -1.164 4.609 2.176 1.00 93.89 C +HETATM 86 N HYP A 15 -5.376 2.676 2.021 1.00 93.57 N +HETATM 87 CA HYP A 15 -6.358 2.287 1.034 1.00 93.58 C +HETATM 88 C HYP A 15 -6.527 3.318 -0.040 1.00 94.57 C +HETATM 89 O HYP A 15 -6.393 4.538 0.224 1.00 90.60 O +HETATM 90 CB HYP A 15 -7.640 2.158 1.838 1.00 92.71 C +HETATM 91 CG HYP A 15 -7.162 1.886 3.228 1.00 92.37 C +HETATM 92 CD HYP A 15 -5.900 2.687 3.330 1.00 94.24 C +HETATM 93 OD1 HYP A 15 -6.828 0.530 3.407 1.00 91.63 O +ATOM 94 N GLY A 16 -6.797 2.888 -1.239 1.00 93.01 N +ATOM 95 CA GLY A 16 -7.084 3.807 -2.314 1.00 91.16 C +ATOM 96 C GLY A 16 -8.383 4.549 -2.055 1.00 91.92 C +ATOM 97 O GLY A 16 -9.155 4.206 -1.154 1.00 91.84 O +ATOM 98 N PRO A 17 -8.647 5.572 -2.864 1.00 92.50 N +ATOM 99 CA PRO A 17 -9.875 6.335 -2.689 1.00 92.58 C +ATOM 100 C PRO A 17 -11.092 5.523 -3.115 1.00 92.03 C +ATOM 101 O PRO A 17 -10.977 4.562 -3.863 1.00 90.72 O +ATOM 102 CB PRO A 17 -9.666 7.549 -3.599 1.00 90.96 C +ATOM 103 CG PRO A 17 -8.756 7.049 -4.656 1.00 89.55 C +ATOM 104 CD PRO A 17 -7.826 6.079 -3.969 1.00 91.57 C +HETATM 105 N HYP A 18 -12.264 5.882 -2.651 1.00 93.26 N +HETATM 106 CA HYP A 18 -13.493 5.296 -3.095 1.00 94.19 C +HETATM 107 C HYP A 18 -13.676 5.396 -4.579 1.00 93.96 C +HETATM 108 O HYP A 18 -13.211 6.384 -5.201 1.00 92.22 O +HETATM 109 CB HYP A 18 -14.558 6.039 -2.361 1.00 93.33 C +HETATM 110 CG HYP A 18 -13.873 6.545 -1.121 1.00 92.94 C +HETATM 111 CD HYP A 18 -12.465 6.833 -1.611 1.00 93.92 C +HETATM 112 OD1 HYP A 18 -13.810 5.539 -0.131 1.00 91.55 O +ATOM 113 N GLY A 19 -14.280 4.403 -5.181 1.00 93.31 N +ATOM 114 CA GLY A 19 -14.558 4.448 -6.591 1.00 92.57 C +ATOM 115 C GLY A 19 -15.547 5.561 -6.914 1.00 92.83 C +ATOM 116 O GLY A 19 -16.165 6.141 -6.018 1.00 92.29 O +ATOM 117 N PRO A 20 -15.718 5.850 -8.190 1.00 92.81 N +ATOM 118 CA PRO A 20 -16.640 6.908 -8.581 1.00 92.38 C +ATOM 119 C PRO A 20 -18.084 6.475 -8.373 1.00 91.93 C +ATOM 120 O PRO A 20 -18.385 5.288 -8.316 1.00 89.77 O +ATOM 121 CB PRO A 20 -16.322 7.116 -10.065 1.00 90.04 C +ATOM 122 CG PRO A 20 -15.823 5.787 -10.510 1.00 87.91 C +ATOM 123 CD PRO A 20 -15.053 5.232 -9.341 1.00 90.82 C +HETATM 124 N HYP A 21 -18.999 7.406 -8.280 1.00 94.28 N +HETATM 125 CA HYP A 21 -20.401 7.126 -8.182 1.00 94.25 C +HETATM 126 C HYP A 21 -20.910 6.373 -9.401 1.00 94.99 C +HETATM 127 O HYP A 21 -20.382 6.560 -10.512 1.00 92.74 O +HETATM 128 CB HYP A 21 -21.053 8.515 -8.171 1.00 92.88 C +HETATM 129 CG HYP A 21 -19.991 9.435 -7.607 1.00 92.70 C +HETATM 130 CD HYP A 21 -18.717 8.844 -8.173 1.00 93.69 C +HETATM 131 OD1 HYP A 21 -19.933 9.327 -6.184 1.00 90.64 O +ATOM 132 N GLY A 22 -21.872 5.508 -9.216 1.00 90.54 N +ATOM 133 CA GLY A 22 -22.461 4.808 -10.329 1.00 89.36 C +ATOM 134 C GLY A 22 -23.152 5.782 -11.276 1.00 89.64 C +ATOM 135 O GLY A 22 -23.329 6.960 -10.963 1.00 88.27 O +ATOM 136 N PRO A 23 -23.580 5.297 -12.434 1.00 89.14 N +ATOM 137 CA PRO A 23 -24.237 6.167 -13.400 1.00 89.36 C +ATOM 138 C PRO A 23 -25.625 6.557 -12.926 1.00 88.64 C +ATOM 139 O PRO A 23 -26.241 5.862 -12.122 1.00 84.93 O +ATOM 140 CB PRO A 23 -24.293 5.311 -14.667 1.00 85.23 C +ATOM 141 CG PRO A 23 -24.343 3.917 -14.147 1.00 81.33 C +ATOM 142 CD PRO A 23 -23.472 3.918 -12.916 1.00 84.58 C +HETATM 143 N HYP A 24 -26.157 7.608 -13.447 1.00 91.06 N +HETATM 144 CA HYP A 24 -27.517 7.969 -13.134 1.00 89.93 C +HETATM 145 C HYP A 24 -28.447 6.905 -13.625 1.00 89.56 C +HETATM 146 O HYP A 24 -28.195 6.398 -14.731 1.00 86.89 O +HETATM 147 CB HYP A 24 -27.776 9.296 -13.861 1.00 90.57 C +HETATM 148 CG HYP A 24 -26.423 9.874 -14.122 1.00 89.99 C +HETATM 149 CD HYP A 24 -25.514 8.642 -14.249 1.00 90.29 C +HETATM 150 OD1 HYP A 24 -26.021 10.602 -12.975 1.00 85.07 O +HETATM 151 OXT HYP A 24 -29.394 6.624 -12.881 1.00 80.13 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_66.txt b/protein_pdb_66.txt new file mode 100644 index 0000000000000000000000000000000000000000..3b58f9e8eb8717042c14b7984ef0340d7e52eba0 --- /dev/null +++ b/protein_pdb_66.txt @@ -0,0 +1,153 @@ +ATOM 1 N GLY A 1 30.970 -11.816 12.502 1.00 90.10 N +ATOM 2 CA GLY A 1 30.006 -12.547 11.682 1.00 91.22 C +ATOM 3 C GLY A 1 29.525 -11.701 10.520 1.00 92.04 C +ATOM 4 O GLY A 1 29.848 -10.516 10.427 1.00 89.58 O +ATOM 5 N PRO A 2 28.750 -12.276 9.625 1.00 91.62 N +ATOM 6 CA PRO A 2 28.231 -11.526 8.484 1.00 92.98 C +ATOM 7 C PRO A 2 27.194 -10.504 8.920 1.00 93.20 C +ATOM 8 O PRO A 2 26.607 -10.612 9.994 1.00 91.11 O +ATOM 9 CB PRO A 2 27.604 -12.606 7.591 1.00 90.39 C +ATOM 10 CG PRO A 2 27.207 -13.671 8.556 1.00 87.30 C +ATOM 11 CD PRO A 2 28.272 -13.657 9.625 1.00 88.98 C +HETATM 12 N HYP A 3 27.009 -9.508 8.110 1.00 94.47 N +HETATM 13 CA HYP A 3 25.946 -8.522 8.337 1.00 94.36 C +HETATM 14 C HYP A 3 24.607 -9.211 8.490 1.00 94.68 C +HETATM 15 O HYP A 3 24.344 -10.235 7.844 1.00 91.69 O +HETATM 16 CB HYP A 3 25.977 -7.679 7.065 1.00 93.03 C +HETATM 17 CG HYP A 3 27.377 -7.822 6.525 1.00 92.34 C +HETATM 18 CD HYP A 3 27.734 -9.283 6.859 1.00 93.91 C +HETATM 19 OD1 HYP A 3 28.259 -6.972 7.183 1.00 92.48 O +ATOM 20 N GLY A 4 23.773 -8.635 9.341 1.00 95.02 N +ATOM 21 CA GLY A 4 22.440 -9.165 9.507 1.00 94.17 C +ATOM 22 C GLY A 4 21.617 -8.970 8.246 1.00 94.24 C +ATOM 23 O GLY A 4 22.014 -8.239 7.333 1.00 93.47 O +ATOM 24 N PRO A 5 20.466 -9.615 8.182 1.00 94.74 N +ATOM 25 CA PRO A 5 19.612 -9.477 7.001 1.00 94.49 C +ATOM 26 C PRO A 5 18.971 -8.097 6.942 1.00 94.50 C +ATOM 27 O PRO A 5 18.886 -7.396 7.942 1.00 93.68 O +ATOM 28 CB PRO A 5 18.569 -10.575 7.187 1.00 92.92 C +ATOM 29 CG PRO A 5 18.475 -10.716 8.671 1.00 91.05 C +ATOM 30 CD PRO A 5 19.876 -10.492 9.183 1.00 92.51 C +HETATM 31 N HYP A 6 18.538 -7.699 5.770 1.00 95.28 N +HETATM 32 CA HYP A 6 17.747 -6.476 5.630 1.00 95.16 C +HETATM 33 C HYP A 6 16.520 -6.492 6.472 1.00 93.75 C +HETATM 34 O HYP A 6 15.945 -7.568 6.729 1.00 93.63 O +HETATM 35 CB HYP A 6 17.402 -6.439 4.130 1.00 93.30 C +HETATM 36 CG HYP A 6 18.506 -7.234 3.477 1.00 91.58 C +HETATM 37 CD HYP A 6 18.787 -8.315 4.507 1.00 94.15 C +HETATM 38 OD1 HYP A 6 19.638 -6.430 3.288 1.00 91.80 O +ATOM 39 N GLY A 7 16.102 -5.341 6.928 1.00 95.52 N +ATOM 40 CA GLY A 7 14.893 -5.246 7.711 1.00 94.86 C +ATOM 41 C GLY A 7 13.681 -5.652 6.900 1.00 95.13 C +ATOM 42 O GLY A 7 13.750 -5.822 5.683 1.00 94.61 O +ATOM 43 N PRO A 8 12.547 -5.808 7.576 1.00 95.04 N +ATOM 44 CA PRO A 8 11.326 -6.189 6.873 1.00 94.87 C +ATOM 45 C PRO A 8 10.807 -5.053 6.000 1.00 94.83 C +ATOM 46 O PRO A 8 11.131 -3.895 6.214 1.00 93.87 O +ATOM 47 CB PRO A 8 10.352 -6.512 8.005 1.00 93.78 C +ATOM 48 CG PRO A 8 10.830 -5.663 9.131 1.00 93.04 C +ATOM 49 CD PRO A 8 12.330 -5.633 9.008 1.00 94.27 C +HETATM 50 N HYP A 9 10.005 -5.350 5.027 1.00 95.17 N +HETATM 51 CA HYP A 9 9.335 -4.367 4.205 1.00 94.69 C +HETATM 52 C HYP A 9 8.449 -3.481 5.007 1.00 95.65 C +HETATM 53 O HYP A 9 7.903 -3.903 6.022 1.00 94.36 O +HETATM 54 CB HYP A 9 8.496 -5.243 3.242 1.00 93.41 C +HETATM 55 CG HYP A 9 9.310 -6.489 3.129 1.00 91.67 C +HETATM 56 CD HYP A 9 9.822 -6.649 4.523 1.00 94.22 C +HETATM 57 OD1 HYP A 9 10.396 -6.294 2.247 1.00 90.58 O +ATOM 58 N GLY A 10 8.355 -2.232 4.592 1.00 95.87 N +ATOM 59 CA GLY A 10 7.501 -1.293 5.276 1.00 94.90 C +ATOM 60 C GLY A 10 6.054 -1.709 5.229 1.00 95.20 C +ATOM 61 O GLY A 10 5.657 -2.608 4.474 1.00 94.48 O +ATOM 62 N ALA A 11 5.256 -1.046 6.041 1.00 95.02 N +ATOM 63 CA ALA A 11 3.828 -1.319 6.087 1.00 94.77 C +ATOM 64 C ALA A 11 3.176 -0.971 4.757 1.00 94.89 C +ATOM 65 O ALA A 11 3.637 -0.100 4.029 1.00 93.32 O +ATOM 66 CB ALA A 11 3.185 -0.515 7.201 1.00 93.12 C +HETATM 67 N HYP A 12 2.095 -1.626 4.396 1.00 95.38 N +HETATM 68 CA HYP A 12 1.307 -1.291 3.238 1.00 95.55 C +HETATM 69 C HYP A 12 0.839 0.116 3.259 1.00 95.85 C +HETATM 70 O HYP A 12 0.603 0.680 4.333 1.00 93.89 O +HETATM 71 CB HYP A 12 0.160 -2.270 3.246 1.00 93.84 C +HETATM 72 CG HYP A 12 0.685 -3.423 4.008 1.00 92.30 C +HETATM 73 CD HYP A 12 1.556 -2.783 5.002 1.00 94.45 C +HETATM 74 OD1 HYP A 12 1.467 -4.261 3.191 1.00 91.35 O +ATOM 75 N GLY A 13 0.719 0.707 2.095 1.00 95.63 N +ATOM 76 CA GLY A 13 0.206 2.050 1.984 1.00 94.86 C +ATOM 77 C GLY A 13 -1.261 2.115 2.385 1.00 95.33 C +ATOM 78 O GLY A 13 -1.903 1.085 2.628 1.00 94.87 O +ATOM 79 N PRO A 14 -1.811 3.325 2.447 1.00 94.82 N +ATOM 80 CA PRO A 14 -3.215 3.475 2.807 1.00 94.55 C +ATOM 81 C PRO A 14 -4.128 2.963 1.702 1.00 94.54 C +ATOM 82 O PRO A 14 -3.719 2.838 0.554 1.00 93.21 O +ATOM 83 CB PRO A 14 -3.370 4.983 3.004 1.00 93.51 C +ATOM 84 CG PRO A 14 -2.321 5.566 2.122 1.00 92.71 C +ATOM 85 CD PRO A 14 -1.164 4.609 2.176 1.00 93.89 C +HETATM 86 N HYP A 15 -5.376 2.676 2.021 1.00 93.57 N +HETATM 87 CA HYP A 15 -6.358 2.287 1.034 1.00 93.58 C +HETATM 88 C HYP A 15 -6.527 3.318 -0.040 1.00 94.57 C +HETATM 89 O HYP A 15 -6.393 4.538 0.224 1.00 90.60 O +HETATM 90 CB HYP A 15 -7.640 2.158 1.838 1.00 92.71 C +HETATM 91 CG HYP A 15 -7.162 1.886 3.228 1.00 92.37 C +HETATM 92 CD HYP A 15 -5.900 2.687 3.330 1.00 94.24 C +HETATM 93 OD1 HYP A 15 -6.828 0.530 3.407 1.00 91.63 O +ATOM 94 N GLY A 16 -6.797 2.888 -1.239 1.00 93.01 N +ATOM 95 CA GLY A 16 -7.084 3.807 -2.314 1.00 91.16 C +ATOM 96 C GLY A 16 -8.383 4.549 -2.055 1.00 91.92 C +ATOM 97 O GLY A 16 -9.155 4.206 -1.154 1.00 91.84 O +ATOM 98 N PRO A 17 -8.647 5.572 -2.864 1.00 92.50 N +ATOM 99 CA PRO A 17 -9.875 6.335 -2.689 1.00 92.58 C +ATOM 100 C PRO A 17 -11.092 5.523 -3.115 1.00 92.03 C +ATOM 101 O PRO A 17 -10.977 4.562 -3.863 1.00 90.72 O +ATOM 102 CB PRO A 17 -9.666 7.549 -3.599 1.00 90.96 C +ATOM 103 CG PRO A 17 -8.756 7.049 -4.656 1.00 89.55 C +ATOM 104 CD PRO A 17 -7.826 6.079 -3.969 1.00 91.57 C +HETATM 105 N HYP A 18 -12.264 5.882 -2.651 1.00 93.26 N +HETATM 106 CA HYP A 18 -13.493 5.296 -3.095 1.00 94.19 C +HETATM 107 C HYP A 18 -13.676 5.396 -4.579 1.00 93.96 C +HETATM 108 O HYP A 18 -13.211 6.384 -5.201 1.00 92.22 O +HETATM 109 CB HYP A 18 -14.558 6.039 -2.361 1.00 93.33 C +HETATM 110 CG HYP A 18 -13.873 6.545 -1.121 1.00 92.94 C +HETATM 111 CD HYP A 18 -12.465 6.833 -1.611 1.00 93.92 C +HETATM 112 OD1 HYP A 18 -13.810 5.539 -0.131 1.00 91.55 O +ATOM 113 N GLY A 19 -14.280 4.403 -5.181 1.00 93.31 N +ATOM 114 CA GLY A 19 -14.558 4.448 -6.591 1.00 92.57 C +ATOM 115 C GLY A 19 -15.547 5.561 -6.914 1.00 92.83 C +ATOM 116 O GLY A 19 -16.165 6.141 -6.018 1.00 92.29 O +ATOM 117 N PRO A 20 -15.718 5.850 -8.190 1.00 92.81 N +ATOM 118 CA PRO A 20 -16.640 6.908 -8.581 1.00 92.38 C +ATOM 119 C PRO A 20 -18.084 6.475 -8.373 1.00 91.93 C +ATOM 120 O PRO A 20 -18.385 5.288 -8.316 1.00 89.77 O +ATOM 121 CB PRO A 20 -16.322 7.116 -10.065 1.00 90.04 C +ATOM 122 CG PRO A 20 -15.823 5.787 -10.510 1.00 87.91 C +ATOM 123 CD PRO A 20 -15.053 5.232 -9.341 1.00 90.82 C +HETATM 124 N HYP A 21 -18.999 7.406 -8.280 1.00 94.28 N +HETATM 125 CA HYP A 21 -20.401 7.126 -8.182 1.00 94.25 C +HETATM 126 C HYP A 21 -20.910 6.373 -9.401 1.00 94.99 C +HETATM 127 O HYP A 21 -20.382 6.560 -10.512 1.00 92.74 O +HETATM 128 CB HYP A 21 -21.053 8.515 -8.171 1.00 92.88 C +HETATM 129 CG HYP A 21 -19.991 9.435 -7.607 1.00 92.70 C +HETATM 130 CD HYP A 21 -18.717 8.844 -8.173 1.00 93.69 C +HETATM 131 OD1 HYP A 21 -19.933 9.327 -6.184 1.00 90.64 O +ATOM 132 N GLY A 22 -21.872 5.508 -9.216 1.00 90.54 N +ATOM 133 CA GLY A 22 -22.461 4.808 -10.329 1.00 89.36 C +ATOM 134 C GLY A 22 -23.152 5.782 -11.276 1.00 89.64 C +ATOM 135 O GLY A 22 -23.329 6.960 -10.963 1.00 88.27 O +ATOM 136 N PRO A 23 -23.580 5.297 -12.434 1.00 89.14 N +ATOM 137 CA PRO A 23 -24.237 6.167 -13.400 1.00 89.36 C +ATOM 138 C PRO A 23 -25.625 6.557 -12.926 1.00 88.64 C +ATOM 139 O PRO A 23 -26.241 5.862 -12.122 1.00 84.93 O +ATOM 140 CB PRO A 23 -24.293 5.311 -14.667 1.00 85.23 C +ATOM 141 CG PRO A 23 -24.343 3.917 -14.147 1.00 81.33 C +ATOM 142 CD PRO A 23 -23.472 3.918 -12.916 1.00 84.58 C +HETATM 143 N HYP A 24 -26.157 7.608 -13.447 1.00 91.06 N +HETATM 144 CA HYP A 24 -27.517 7.969 -13.134 1.00 89.93 C +HETATM 145 C HYP A 24 -28.447 6.905 -13.625 1.00 89.56 C +HETATM 146 O HYP A 24 -28.195 6.398 -14.731 1.00 86.89 O +HETATM 147 CB HYP A 24 -27.776 9.296 -13.861 1.00 90.57 C +HETATM 148 CG HYP A 24 -26.423 9.874 -14.122 1.00 89.99 C +HETATM 149 CD HYP A 24 -25.514 8.642 -14.249 1.00 90.29 C +HETATM 150 OD1 HYP A 24 -26.021 10.602 -12.975 1.00 85.07 O +HETATM 151 OXT HYP A 24 -29.394 6.624 -12.881 1.00 80.13 O +TER 152 HYP A 24 +END diff --git a/protein_pdb_67.txt b/protein_pdb_67.txt new file mode 100644 index 0000000000000000000000000000000000000000..5aa2081dd801ac9b4646e204382b89ffa518e3ea --- /dev/null +++ b/protein_pdb_67.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 7.582 -11.582 -4.618 1.00 93.61 N +ATOM 2 CA GLY A 1 6.512 -10.838 -5.187 1.00 94.24 C +ATOM 3 C GLY A 1 6.750 -9.346 -5.259 1.00 94.43 C +ATOM 4 O GLY A 1 7.646 -8.808 -4.606 1.00 92.61 O +ATOM 5 N PRO A 2 5.951 -8.692 -6.018 1.00 94.31 N +ATOM 6 CA PRO A 2 6.060 -7.247 -6.174 1.00 94.39 C +ATOM 7 C PRO A 2 5.523 -6.518 -4.962 1.00 94.03 C +ATOM 8 O PRO A 2 4.876 -7.101 -4.094 1.00 91.87 O +ATOM 9 CB PRO A 2 5.210 -6.985 -7.415 1.00 91.63 C +ATOM 10 CG PRO A 2 4.174 -8.043 -7.349 1.00 89.01 C +ATOM 11 CD PRO A 2 4.901 -9.263 -6.854 1.00 91.95 C +HETATM 12 N HYP A 3 5.815 -5.245 -4.954 1.00 95.07 N +HETATM 13 CA HYP A 3 5.297 -4.425 -3.869 1.00 93.75 C +HETATM 14 C HYP A 3 3.791 -4.408 -3.858 1.00 95.15 C +HETATM 15 O HYP A 3 3.153 -4.548 -4.915 1.00 95.50 O +HETATM 16 CB HYP A 3 5.843 -3.019 -4.256 1.00 90.90 C +HETATM 17 CG HYP A 3 7.079 -3.298 -5.102 1.00 88.67 C +HETATM 18 CD HYP A 3 6.671 -4.570 -5.894 1.00 92.63 C +HETATM 19 OD1 HYP A 3 8.146 -3.614 -4.260 1.00 90.89 O +ATOM 20 N GLY A 4 3.251 -4.305 -2.676 1.00 94.40 N +ATOM 21 CA GLY A 4 1.823 -4.239 -2.538 1.00 94.45 C +ATOM 22 C GLY A 4 1.282 -2.929 -3.077 1.00 95.24 C +ATOM 23 O GLY A 4 2.039 -2.022 -3.433 1.00 94.87 O +ATOM 24 N PRO A 5 -0.036 -2.809 -3.140 1.00 93.90 N +ATOM 25 CA PRO A 5 -0.654 -1.591 -3.649 1.00 94.28 C +ATOM 26 C PRO A 5 -0.518 -0.442 -2.663 1.00 93.71 C +ATOM 27 O PRO A 5 -0.209 -0.642 -1.490 1.00 92.00 O +ATOM 28 CB PRO A 5 -2.109 -1.992 -3.838 1.00 92.65 C +ATOM 29 CG PRO A 5 -2.321 -3.030 -2.790 1.00 90.88 C +ATOM 30 CD PRO A 5 -1.034 -3.798 -2.750 1.00 93.28 C +HETATM 31 N HYP A 6 -0.725 0.767 -3.184 1.00 93.99 N +HETATM 32 CA HYP A 6 -0.735 1.917 -2.317 1.00 95.05 C +HETATM 33 C HYP A 6 -1.735 1.794 -1.214 1.00 94.56 C +HETATM 34 O HYP A 6 -2.791 1.151 -1.390 1.00 94.85 O +HETATM 35 CB HYP A 6 -1.098 3.056 -3.291 1.00 91.82 C +HETATM 36 CG HYP A 6 -0.621 2.574 -4.631 1.00 90.78 C +HETATM 37 CD HYP A 6 -0.955 1.095 -4.578 1.00 92.66 C +HETATM 38 OD1 HYP A 6 0.767 2.747 -4.723 1.00 90.09 O +ATOM 39 N GLY A 7 -1.418 2.345 -0.087 1.00 94.91 N +ATOM 40 CA GLY A 7 -2.306 2.326 1.039 1.00 94.96 C +ATOM 41 C GLY A 7 -3.572 3.107 0.752 1.00 95.32 C +ATOM 42 O GLY A 7 -3.697 3.772 -0.276 1.00 94.83 O +ATOM 43 N PRO A 8 -4.517 3.030 1.657 1.00 94.42 N +ATOM 44 CA PRO A 8 -5.785 3.718 1.455 1.00 94.56 C +ATOM 45 C PRO A 8 -5.635 5.225 1.550 1.00 94.51 C +ATOM 46 O PRO A 8 -4.748 5.740 2.216 1.00 92.84 O +ATOM 47 CB PRO A 8 -6.668 3.172 2.570 1.00 92.83 C +ATOM 48 CG PRO A 8 -5.704 2.820 3.647 1.00 91.27 C +ATOM 49 CD PRO A 8 -4.489 2.297 2.925 1.00 93.55 C +HETATM 50 N HYP A 9 -6.538 5.913 0.878 1.00 93.87 N +HETATM 51 CA HYP A 9 -6.567 7.323 0.932 1.00 91.79 C +HETATM 52 C HYP A 9 -6.982 7.795 2.291 1.00 93.65 C +HETATM 53 O HYP A 9 -7.894 7.217 2.889 1.00 93.86 O +HETATM 54 CB HYP A 9 -7.692 7.697 -0.074 1.00 90.57 C +HETATM 55 CG HYP A 9 -7.850 6.511 -0.957 1.00 89.65 C +HETATM 56 CD HYP A 9 -7.544 5.370 -0.072 1.00 92.38 C +HETATM 57 OD1 HYP A 9 -6.883 6.574 -1.976 1.00 90.06 O +ATOM 58 N GLY A 10 -6.344 8.758 2.844 1.00 93.83 N +ATOM 59 CA GLY A 10 -6.779 9.358 4.076 1.00 93.27 C +ATOM 60 C GLY A 10 -7.837 10.403 3.777 1.00 94.03 C +ATOM 61 O GLY A 10 -7.990 10.835 2.638 1.00 93.51 O +ATOM 62 N PRO A 11 -8.557 10.854 4.800 1.00 91.89 N +ATOM 63 CA PRO A 11 -9.555 11.888 4.558 1.00 92.76 C +ATOM 64 C PRO A 11 -8.934 13.232 4.201 1.00 93.35 C +ATOM 65 O PRO A 11 -9.595 14.077 3.610 1.00 89.92 O +ATOM 66 CB PRO A 11 -10.325 11.958 5.875 1.00 90.53 C +ATOM 67 CG PRO A 11 -9.350 11.481 6.882 1.00 89.11 C +ATOM 68 CD PRO A 11 -8.541 10.415 6.182 1.00 90.57 C +ATOM 69 N GLU A 12 -7.673 13.407 4.557 1.00 93.80 N +ATOM 70 CA GLU A 12 -6.970 14.658 4.306 1.00 94.51 C +ATOM 71 C GLU A 12 -5.542 14.420 3.849 1.00 93.78 C +ATOM 72 O GLU A 12 -4.634 15.161 4.202 1.00 90.37 O +ATOM 73 CB GLU A 12 -6.958 15.515 5.578 1.00 92.39 C +ATOM 74 CG GLU A 12 -8.320 15.903 6.071 1.00 86.74 C +ATOM 75 CD GLU A 12 -8.240 16.713 7.350 1.00 81.97 C +ATOM 76 OE1 GLU A 12 -8.665 16.195 8.393 1.00 76.96 O +ATOM 77 OE2 GLU A 12 -7.737 17.845 7.296 1.00 77.93 O +ATOM 78 N GLY A 13 -5.326 13.394 3.070 1.00 94.36 N +ATOM 79 CA GLY A 13 -3.974 13.100 2.643 1.00 93.89 C +ATOM 80 C GLY A 13 -3.922 12.100 1.520 1.00 94.74 C +ATOM 81 O GLY A 13 -4.931 11.499 1.158 1.00 94.43 O +ATOM 82 N PRO A 14 -2.738 11.919 0.959 1.00 94.73 N +ATOM 83 CA PRO A 14 -2.556 10.999 -0.152 1.00 94.77 C +ATOM 84 C PRO A 14 -2.613 9.550 0.301 1.00 94.71 C +ATOM 85 O PRO A 14 -2.597 9.251 1.492 1.00 93.34 O +ATOM 86 CB PRO A 14 -1.177 11.357 -0.685 1.00 93.11 C +ATOM 87 CG PRO A 14 -0.447 11.813 0.522 1.00 91.38 C +ATOM 88 CD PRO A 14 -1.472 12.568 1.326 1.00 93.11 C +HETATM 89 N HYP A 15 -2.634 8.729 -0.678 1.00 94.67 N +HETATM 90 CA HYP A 15 -2.580 7.285 -0.416 1.00 94.66 C +HETATM 91 C HYP A 15 -1.304 6.938 0.289 1.00 95.68 C +HETATM 92 O HYP A 15 -0.271 7.663 0.142 1.00 94.83 O +HETATM 93 CB HYP A 15 -2.651 6.715 -1.850 1.00 91.83 C +HETATM 94 CG HYP A 15 -3.337 7.793 -2.671 1.00 90.32 C +HETATM 95 CD HYP A 15 -2.786 9.068 -2.091 1.00 92.97 C +HETATM 96 OD1 HYP A 15 -4.711 7.764 -2.492 1.00 91.01 O +ATOM 97 N GLY A 16 -1.351 5.903 1.063 1.00 95.63 N +ATOM 98 CA GLY A 16 -0.174 5.430 1.731 1.00 95.55 C +ATOM 99 C GLY A 16 0.814 4.846 0.739 1.00 96.04 C +ATOM 100 O GLY A 16 0.517 4.712 -0.448 1.00 95.55 O +ATOM 101 N PRO A 17 1.993 4.500 1.220 1.00 93.21 N +ATOM 102 CA PRO A 17 3.011 3.940 0.348 1.00 93.05 C +ATOM 103 C PRO A 17 2.660 2.519 -0.072 1.00 93.23 C +ATOM 104 O PRO A 17 1.808 1.873 0.528 1.00 91.46 O +ATOM 105 CB PRO A 17 4.266 3.974 1.209 1.00 91.21 C +ATOM 106 CG PRO A 17 3.743 3.830 2.591 1.00 89.21 C +ATOM 107 CD PRO A 17 2.459 4.613 2.599 1.00 91.57 C +HETATM 108 N HYP A 18 3.333 2.079 -1.126 1.00 92.09 N +HETATM 109 CA HYP A 18 3.183 0.709 -1.520 1.00 91.76 C +HETATM 110 C HYP A 18 3.526 -0.230 -0.416 1.00 93.47 C +HETATM 111 O HYP A 18 4.376 0.080 0.443 1.00 93.15 O +HETATM 112 CB HYP A 18 4.195 0.597 -2.692 1.00 90.38 C +HETATM 113 CG HYP A 18 4.313 1.992 -3.246 1.00 88.77 C +HETATM 114 CD HYP A 18 4.207 2.843 -1.988 1.00 91.90 C +HETATM 115 OD1 HYP A 18 3.202 2.248 -4.082 1.00 88.94 O +ATOM 116 N GLY A 19 2.859 -1.341 -0.399 1.00 91.54 N +ATOM 117 CA GLY A 19 3.144 -2.354 0.569 1.00 91.87 C +ATOM 118 C GLY A 19 4.524 -2.935 0.341 1.00 92.44 C +ATOM 119 O GLY A 19 5.171 -2.668 -0.667 1.00 92.59 O +ATOM 120 N PRO A 20 4.990 -3.733 1.280 1.00 89.80 N +ATOM 121 CA PRO A 20 6.299 -4.339 1.140 1.00 90.77 C +ATOM 122 C PRO A 20 6.314 -5.390 0.044 1.00 90.34 C +ATOM 123 O PRO A 20 5.270 -5.889 -0.366 1.00 89.14 O +ATOM 124 CB PRO A 20 6.543 -4.963 2.513 1.00 88.22 C +ATOM 125 CG PRO A 20 5.175 -5.266 3.003 1.00 85.54 C +ATOM 126 CD PRO A 20 4.332 -4.121 2.519 1.00 88.56 C +HETATM 127 N HYP A 21 7.515 -5.685 -0.417 1.00 92.26 N +HETATM 128 CA HYP A 21 7.635 -6.722 -1.392 1.00 92.09 C +HETATM 129 C HYP A 21 7.097 -8.039 -0.914 1.00 92.95 C +HETATM 130 O HYP A 21 7.216 -8.343 0.280 1.00 93.30 O +HETATM 131 CB HYP A 21 9.144 -6.844 -1.647 1.00 89.70 C +HETATM 132 CG HYP A 21 9.722 -5.517 -1.222 1.00 86.77 C +HETATM 133 CD HYP A 21 8.822 -5.093 -0.070 1.00 91.15 C +HETATM 134 OD1 HYP A 21 9.541 -4.565 -2.290 1.00 89.17 O +ATOM 135 N GLY A 22 6.448 -8.748 -1.765 1.00 92.04 N +ATOM 136 CA GLY A 22 5.961 -10.048 -1.425 1.00 91.25 C +ATOM 137 C GLY A 22 7.122 -11.023 -1.303 1.00 91.64 C +ATOM 138 O GLY A 22 8.265 -10.681 -1.609 1.00 90.83 O +ATOM 139 N PRO A 23 6.855 -12.240 -0.885 1.00 93.70 N +ATOM 140 CA PRO A 23 7.917 -13.234 -0.783 1.00 93.65 C +ATOM 141 C PRO A 23 8.345 -13.660 -2.175 1.00 92.30 C +ATOM 142 O PRO A 23 7.586 -14.306 -2.894 1.00 88.53 O +ATOM 143 CB PRO A 23 7.260 -14.364 -0.002 1.00 91.07 C +ATOM 144 CG PRO A 23 5.821 -14.233 -0.319 1.00 88.65 C +ATOM 145 CD PRO A 23 5.574 -12.750 -0.455 1.00 91.66 C +HETATM 146 N HYP A 24 9.370 -13.198 -2.661 1.00 96.27 N +HETATM 147 CA HYP A 24 9.701 -13.043 -4.148 1.00 92.43 C +HETATM 148 C HYP A 24 8.964 -12.232 -4.956 1.00 95.95 C +HETATM 149 O HYP A 24 9.497 -11.213 -5.557 1.00 93.76 O +HETATM 150 CB HYP A 24 11.073 -13.453 -4.351 1.00 91.46 C +HETATM 151 CG HYP A 24 11.426 -14.290 -3.108 1.00 90.47 C +HETATM 152 CD HYP A 24 10.394 -13.878 -2.013 1.00 93.84 C +HETATM 153 OD1 HYP A 24 12.721 -14.001 -2.653 1.00 90.94 O +HETATM 154 OXT HYP A 24 8.416 -12.760 -6.077 1.00 89.92 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_68.txt b/protein_pdb_68.txt new file mode 100644 index 0000000000000000000000000000000000000000..5aa2081dd801ac9b4646e204382b89ffa518e3ea --- /dev/null +++ b/protein_pdb_68.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 7.582 -11.582 -4.618 1.00 93.61 N +ATOM 2 CA GLY A 1 6.512 -10.838 -5.187 1.00 94.24 C +ATOM 3 C GLY A 1 6.750 -9.346 -5.259 1.00 94.43 C +ATOM 4 O GLY A 1 7.646 -8.808 -4.606 1.00 92.61 O +ATOM 5 N PRO A 2 5.951 -8.692 -6.018 1.00 94.31 N +ATOM 6 CA PRO A 2 6.060 -7.247 -6.174 1.00 94.39 C +ATOM 7 C PRO A 2 5.523 -6.518 -4.962 1.00 94.03 C +ATOM 8 O PRO A 2 4.876 -7.101 -4.094 1.00 91.87 O +ATOM 9 CB PRO A 2 5.210 -6.985 -7.415 1.00 91.63 C +ATOM 10 CG PRO A 2 4.174 -8.043 -7.349 1.00 89.01 C +ATOM 11 CD PRO A 2 4.901 -9.263 -6.854 1.00 91.95 C +HETATM 12 N HYP A 3 5.815 -5.245 -4.954 1.00 95.07 N +HETATM 13 CA HYP A 3 5.297 -4.425 -3.869 1.00 93.75 C +HETATM 14 C HYP A 3 3.791 -4.408 -3.858 1.00 95.15 C +HETATM 15 O HYP A 3 3.153 -4.548 -4.915 1.00 95.50 O +HETATM 16 CB HYP A 3 5.843 -3.019 -4.256 1.00 90.90 C +HETATM 17 CG HYP A 3 7.079 -3.298 -5.102 1.00 88.67 C +HETATM 18 CD HYP A 3 6.671 -4.570 -5.894 1.00 92.63 C +HETATM 19 OD1 HYP A 3 8.146 -3.614 -4.260 1.00 90.89 O +ATOM 20 N GLY A 4 3.251 -4.305 -2.676 1.00 94.40 N +ATOM 21 CA GLY A 4 1.823 -4.239 -2.538 1.00 94.45 C +ATOM 22 C GLY A 4 1.282 -2.929 -3.077 1.00 95.24 C +ATOM 23 O GLY A 4 2.039 -2.022 -3.433 1.00 94.87 O +ATOM 24 N PRO A 5 -0.036 -2.809 -3.140 1.00 93.90 N +ATOM 25 CA PRO A 5 -0.654 -1.591 -3.649 1.00 94.28 C +ATOM 26 C PRO A 5 -0.518 -0.442 -2.663 1.00 93.71 C +ATOM 27 O PRO A 5 -0.209 -0.642 -1.490 1.00 92.00 O +ATOM 28 CB PRO A 5 -2.109 -1.992 -3.838 1.00 92.65 C +ATOM 29 CG PRO A 5 -2.321 -3.030 -2.790 1.00 90.88 C +ATOM 30 CD PRO A 5 -1.034 -3.798 -2.750 1.00 93.28 C +HETATM 31 N HYP A 6 -0.725 0.767 -3.184 1.00 93.99 N +HETATM 32 CA HYP A 6 -0.735 1.917 -2.317 1.00 95.05 C +HETATM 33 C HYP A 6 -1.735 1.794 -1.214 1.00 94.56 C +HETATM 34 O HYP A 6 -2.791 1.151 -1.390 1.00 94.85 O +HETATM 35 CB HYP A 6 -1.098 3.056 -3.291 1.00 91.82 C +HETATM 36 CG HYP A 6 -0.621 2.574 -4.631 1.00 90.78 C +HETATM 37 CD HYP A 6 -0.955 1.095 -4.578 1.00 92.66 C +HETATM 38 OD1 HYP A 6 0.767 2.747 -4.723 1.00 90.09 O +ATOM 39 N GLY A 7 -1.418 2.345 -0.087 1.00 94.91 N +ATOM 40 CA GLY A 7 -2.306 2.326 1.039 1.00 94.96 C +ATOM 41 C GLY A 7 -3.572 3.107 0.752 1.00 95.32 C +ATOM 42 O GLY A 7 -3.697 3.772 -0.276 1.00 94.83 O +ATOM 43 N PRO A 8 -4.517 3.030 1.657 1.00 94.42 N +ATOM 44 CA PRO A 8 -5.785 3.718 1.455 1.00 94.56 C +ATOM 45 C PRO A 8 -5.635 5.225 1.550 1.00 94.51 C +ATOM 46 O PRO A 8 -4.748 5.740 2.216 1.00 92.84 O +ATOM 47 CB PRO A 8 -6.668 3.172 2.570 1.00 92.83 C +ATOM 48 CG PRO A 8 -5.704 2.820 3.647 1.00 91.27 C +ATOM 49 CD PRO A 8 -4.489 2.297 2.925 1.00 93.55 C +HETATM 50 N HYP A 9 -6.538 5.913 0.878 1.00 93.87 N +HETATM 51 CA HYP A 9 -6.567 7.323 0.932 1.00 91.79 C +HETATM 52 C HYP A 9 -6.982 7.795 2.291 1.00 93.65 C +HETATM 53 O HYP A 9 -7.894 7.217 2.889 1.00 93.86 O +HETATM 54 CB HYP A 9 -7.692 7.697 -0.074 1.00 90.57 C +HETATM 55 CG HYP A 9 -7.850 6.511 -0.957 1.00 89.65 C +HETATM 56 CD HYP A 9 -7.544 5.370 -0.072 1.00 92.38 C +HETATM 57 OD1 HYP A 9 -6.883 6.574 -1.976 1.00 90.06 O +ATOM 58 N GLY A 10 -6.344 8.758 2.844 1.00 93.83 N +ATOM 59 CA GLY A 10 -6.779 9.358 4.076 1.00 93.27 C +ATOM 60 C GLY A 10 -7.837 10.403 3.777 1.00 94.03 C +ATOM 61 O GLY A 10 -7.990 10.835 2.638 1.00 93.51 O +ATOM 62 N PRO A 11 -8.557 10.854 4.800 1.00 91.89 N +ATOM 63 CA PRO A 11 -9.555 11.888 4.558 1.00 92.76 C +ATOM 64 C PRO A 11 -8.934 13.232 4.201 1.00 93.35 C +ATOM 65 O PRO A 11 -9.595 14.077 3.610 1.00 89.92 O +ATOM 66 CB PRO A 11 -10.325 11.958 5.875 1.00 90.53 C +ATOM 67 CG PRO A 11 -9.350 11.481 6.882 1.00 89.11 C +ATOM 68 CD PRO A 11 -8.541 10.415 6.182 1.00 90.57 C +ATOM 69 N GLU A 12 -7.673 13.407 4.557 1.00 93.80 N +ATOM 70 CA GLU A 12 -6.970 14.658 4.306 1.00 94.51 C +ATOM 71 C GLU A 12 -5.542 14.420 3.849 1.00 93.78 C +ATOM 72 O GLU A 12 -4.634 15.161 4.202 1.00 90.37 O +ATOM 73 CB GLU A 12 -6.958 15.515 5.578 1.00 92.39 C +ATOM 74 CG GLU A 12 -8.320 15.903 6.071 1.00 86.74 C +ATOM 75 CD GLU A 12 -8.240 16.713 7.350 1.00 81.97 C +ATOM 76 OE1 GLU A 12 -8.665 16.195 8.393 1.00 76.96 O +ATOM 77 OE2 GLU A 12 -7.737 17.845 7.296 1.00 77.93 O +ATOM 78 N GLY A 13 -5.326 13.394 3.070 1.00 94.36 N +ATOM 79 CA GLY A 13 -3.974 13.100 2.643 1.00 93.89 C +ATOM 80 C GLY A 13 -3.922 12.100 1.520 1.00 94.74 C +ATOM 81 O GLY A 13 -4.931 11.499 1.158 1.00 94.43 O +ATOM 82 N PRO A 14 -2.738 11.919 0.959 1.00 94.73 N +ATOM 83 CA PRO A 14 -2.556 10.999 -0.152 1.00 94.77 C +ATOM 84 C PRO A 14 -2.613 9.550 0.301 1.00 94.71 C +ATOM 85 O PRO A 14 -2.597 9.251 1.492 1.00 93.34 O +ATOM 86 CB PRO A 14 -1.177 11.357 -0.685 1.00 93.11 C +ATOM 87 CG PRO A 14 -0.447 11.813 0.522 1.00 91.38 C +ATOM 88 CD PRO A 14 -1.472 12.568 1.326 1.00 93.11 C +HETATM 89 N HYP A 15 -2.634 8.729 -0.678 1.00 94.67 N +HETATM 90 CA HYP A 15 -2.580 7.285 -0.416 1.00 94.66 C +HETATM 91 C HYP A 15 -1.304 6.938 0.289 1.00 95.68 C +HETATM 92 O HYP A 15 -0.271 7.663 0.142 1.00 94.83 O +HETATM 93 CB HYP A 15 -2.651 6.715 -1.850 1.00 91.83 C +HETATM 94 CG HYP A 15 -3.337 7.793 -2.671 1.00 90.32 C +HETATM 95 CD HYP A 15 -2.786 9.068 -2.091 1.00 92.97 C +HETATM 96 OD1 HYP A 15 -4.711 7.764 -2.492 1.00 91.01 O +ATOM 97 N GLY A 16 -1.351 5.903 1.063 1.00 95.63 N +ATOM 98 CA GLY A 16 -0.174 5.430 1.731 1.00 95.55 C +ATOM 99 C GLY A 16 0.814 4.846 0.739 1.00 96.04 C +ATOM 100 O GLY A 16 0.517 4.712 -0.448 1.00 95.55 O +ATOM 101 N PRO A 17 1.993 4.500 1.220 1.00 93.21 N +ATOM 102 CA PRO A 17 3.011 3.940 0.348 1.00 93.05 C +ATOM 103 C PRO A 17 2.660 2.519 -0.072 1.00 93.23 C +ATOM 104 O PRO A 17 1.808 1.873 0.528 1.00 91.46 O +ATOM 105 CB PRO A 17 4.266 3.974 1.209 1.00 91.21 C +ATOM 106 CG PRO A 17 3.743 3.830 2.591 1.00 89.21 C +ATOM 107 CD PRO A 17 2.459 4.613 2.599 1.00 91.57 C +HETATM 108 N HYP A 18 3.333 2.079 -1.126 1.00 92.09 N +HETATM 109 CA HYP A 18 3.183 0.709 -1.520 1.00 91.76 C +HETATM 110 C HYP A 18 3.526 -0.230 -0.416 1.00 93.47 C +HETATM 111 O HYP A 18 4.376 0.080 0.443 1.00 93.15 O +HETATM 112 CB HYP A 18 4.195 0.597 -2.692 1.00 90.38 C +HETATM 113 CG HYP A 18 4.313 1.992 -3.246 1.00 88.77 C +HETATM 114 CD HYP A 18 4.207 2.843 -1.988 1.00 91.90 C +HETATM 115 OD1 HYP A 18 3.202 2.248 -4.082 1.00 88.94 O +ATOM 116 N GLY A 19 2.859 -1.341 -0.399 1.00 91.54 N +ATOM 117 CA GLY A 19 3.144 -2.354 0.569 1.00 91.87 C +ATOM 118 C GLY A 19 4.524 -2.935 0.341 1.00 92.44 C +ATOM 119 O GLY A 19 5.171 -2.668 -0.667 1.00 92.59 O +ATOM 120 N PRO A 20 4.990 -3.733 1.280 1.00 89.80 N +ATOM 121 CA PRO A 20 6.299 -4.339 1.140 1.00 90.77 C +ATOM 122 C PRO A 20 6.314 -5.390 0.044 1.00 90.34 C +ATOM 123 O PRO A 20 5.270 -5.889 -0.366 1.00 89.14 O +ATOM 124 CB PRO A 20 6.543 -4.963 2.513 1.00 88.22 C +ATOM 125 CG PRO A 20 5.175 -5.266 3.003 1.00 85.54 C +ATOM 126 CD PRO A 20 4.332 -4.121 2.519 1.00 88.56 C +HETATM 127 N HYP A 21 7.515 -5.685 -0.417 1.00 92.26 N +HETATM 128 CA HYP A 21 7.635 -6.722 -1.392 1.00 92.09 C +HETATM 129 C HYP A 21 7.097 -8.039 -0.914 1.00 92.95 C +HETATM 130 O HYP A 21 7.216 -8.343 0.280 1.00 93.30 O +HETATM 131 CB HYP A 21 9.144 -6.844 -1.647 1.00 89.70 C +HETATM 132 CG HYP A 21 9.722 -5.517 -1.222 1.00 86.77 C +HETATM 133 CD HYP A 21 8.822 -5.093 -0.070 1.00 91.15 C +HETATM 134 OD1 HYP A 21 9.541 -4.565 -2.290 1.00 89.17 O +ATOM 135 N GLY A 22 6.448 -8.748 -1.765 1.00 92.04 N +ATOM 136 CA GLY A 22 5.961 -10.048 -1.425 1.00 91.25 C +ATOM 137 C GLY A 22 7.122 -11.023 -1.303 1.00 91.64 C +ATOM 138 O GLY A 22 8.265 -10.681 -1.609 1.00 90.83 O +ATOM 139 N PRO A 23 6.855 -12.240 -0.885 1.00 93.70 N +ATOM 140 CA PRO A 23 7.917 -13.234 -0.783 1.00 93.65 C +ATOM 141 C PRO A 23 8.345 -13.660 -2.175 1.00 92.30 C +ATOM 142 O PRO A 23 7.586 -14.306 -2.894 1.00 88.53 O +ATOM 143 CB PRO A 23 7.260 -14.364 -0.002 1.00 91.07 C +ATOM 144 CG PRO A 23 5.821 -14.233 -0.319 1.00 88.65 C +ATOM 145 CD PRO A 23 5.574 -12.750 -0.455 1.00 91.66 C +HETATM 146 N HYP A 24 9.370 -13.198 -2.661 1.00 96.27 N +HETATM 147 CA HYP A 24 9.701 -13.043 -4.148 1.00 92.43 C +HETATM 148 C HYP A 24 8.964 -12.232 -4.956 1.00 95.95 C +HETATM 149 O HYP A 24 9.497 -11.213 -5.557 1.00 93.76 O +HETATM 150 CB HYP A 24 11.073 -13.453 -4.351 1.00 91.46 C +HETATM 151 CG HYP A 24 11.426 -14.290 -3.108 1.00 90.47 C +HETATM 152 CD HYP A 24 10.394 -13.878 -2.013 1.00 93.84 C +HETATM 153 OD1 HYP A 24 12.721 -14.001 -2.653 1.00 90.94 O +HETATM 154 OXT HYP A 24 8.416 -12.760 -6.077 1.00 89.92 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_69.txt b/protein_pdb_69.txt new file mode 100644 index 0000000000000000000000000000000000000000..bc08ee45db946624346531d5d7efc9c4ac28438e --- /dev/null +++ b/protein_pdb_69.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 6.403 -11.112 5.196 1.00 87.14 N +ATOM 2 CA GLY A 1 5.281 -11.096 4.287 1.00 89.13 C +ATOM 3 C GLY A 1 5.476 -10.133 3.140 1.00 90.23 C +ATOM 4 O GLY A 1 6.482 -9.429 3.077 1.00 88.21 O +ATOM 5 N PRO A 2 4.457 -10.026 2.208 1.00 88.54 N +ATOM 6 CA PRO A 2 4.572 -9.154 1.051 1.00 90.08 C +ATOM 7 C PRO A 2 4.344 -7.702 1.407 1.00 90.13 C +ATOM 8 O PRO A 2 3.831 -7.371 2.471 1.00 87.62 O +ATOM 9 CB PRO A 2 3.469 -9.666 0.125 1.00 87.25 C +ATOM 10 CG PRO A 2 2.457 -10.218 1.056 1.00 83.54 C +ATOM 11 CD PRO A 2 3.232 -10.813 2.197 1.00 85.04 C +HETATM 12 N HYP A 3 4.738 -6.878 0.493 1.00 89.57 N +HETATM 13 CA HYP A 3 4.476 -5.434 0.649 1.00 89.76 C +HETATM 14 C HYP A 3 2.996 -5.163 0.730 1.00 92.48 C +HETATM 15 O HYP A 3 2.185 -5.914 0.159 1.00 91.88 O +HETATM 16 CB HYP A 3 5.020 -4.880 -0.707 1.00 88.55 C +HETATM 17 CG HYP A 3 6.074 -5.882 -1.153 1.00 85.63 C +HETATM 18 CD HYP A 3 5.454 -7.242 -0.716 1.00 88.67 C +HETATM 19 OD1 HYP A 3 7.236 -5.653 -0.399 1.00 86.68 O +ATOM 20 N GLY A 4 2.657 -4.165 1.490 1.00 92.60 N +ATOM 21 CA GLY A 4 1.282 -3.764 1.596 1.00 92.25 C +ATOM 22 C GLY A 4 0.761 -3.191 0.300 1.00 93.31 C +ATOM 23 O GLY A 4 1.512 -2.941 -0.646 1.00 93.18 O +ATOM 24 N PRO A 5 -0.538 -2.973 0.251 1.00 91.14 N +ATOM 25 CA PRO A 5 -1.139 -2.417 -0.951 1.00 91.16 C +ATOM 26 C PRO A 5 -0.797 -0.948 -1.110 1.00 90.84 C +ATOM 27 O PRO A 5 -0.353 -0.290 -0.177 1.00 89.46 O +ATOM 28 CB PRO A 5 -2.629 -2.616 -0.708 1.00 89.88 C +ATOM 29 CG PRO A 5 -2.757 -2.546 0.774 1.00 88.11 C +ATOM 30 CD PRO A 5 -1.514 -3.197 1.308 1.00 90.02 C +HETATM 31 N HYP A 6 -0.999 -0.478 -2.347 1.00 90.28 N +HETATM 32 CA HYP A 6 -0.852 0.945 -2.566 1.00 92.28 C +HETATM 33 C HYP A 6 -1.716 1.747 -1.651 1.00 92.07 C +HETATM 34 O HYP A 6 -2.819 1.290 -1.253 1.00 91.32 O +HETATM 35 CB HYP A 6 -1.293 1.072 -4.048 1.00 86.20 C +HETATM 36 CG HYP A 6 -1.007 -0.280 -4.667 1.00 86.94 C +HETATM 37 CD HYP A 6 -1.386 -1.244 -3.540 1.00 89.96 C +HETATM 38 OD1 HYP A 6 0.380 -0.392 -4.921 1.00 85.88 O +ATOM 39 N GLY A 7 -1.233 2.883 -1.275 1.00 92.62 N +ATOM 40 CA GLY A 7 -1.999 3.777 -0.459 1.00 92.15 C +ATOM 41 C GLY A 7 -3.247 4.249 -1.163 1.00 92.70 C +ATOM 42 O GLY A 7 -3.453 4.016 -2.354 1.00 92.12 O +ATOM 43 N PRO A 8 -4.095 4.922 -0.418 1.00 92.74 N +ATOM 44 CA PRO A 8 -5.342 5.383 -1.001 1.00 92.65 C +ATOM 45 C PRO A 8 -5.114 6.494 -2.004 1.00 92.62 C +ATOM 46 O PRO A 8 -4.147 7.238 -1.934 1.00 91.05 O +ATOM 47 CB PRO A 8 -6.133 5.884 0.207 1.00 91.00 C +ATOM 48 CG PRO A 8 -5.091 6.257 1.190 1.00 89.42 C +ATOM 49 CD PRO A 8 -3.956 5.293 0.985 1.00 91.20 C +HETATM 50 N HYP A 9 -6.038 6.578 -2.947 1.00 87.77 N +HETATM 51 CA HYP A 9 -5.994 7.630 -3.892 1.00 88.27 C +HETATM 52 C HYP A 9 -6.263 8.947 -3.228 1.00 90.68 C +HETATM 53 O HYP A 9 -7.082 9.029 -2.317 1.00 90.84 O +HETATM 54 CB HYP A 9 -7.210 7.301 -4.815 1.00 85.85 C +HETATM 55 CG HYP A 9 -7.506 5.867 -4.625 1.00 82.83 C +HETATM 56 CD HYP A 9 -7.150 5.605 -3.206 1.00 87.89 C +HETATM 57 OD1 HYP A 9 -6.612 5.120 -5.439 1.00 84.45 O +ATOM 58 N GLY A 10 -5.578 9.971 -3.581 1.00 92.01 N +ATOM 59 CA GLY A 10 -5.933 11.302 -3.166 1.00 90.75 C +ATOM 60 C GLY A 10 -7.143 11.787 -3.936 1.00 91.34 C +ATOM 61 O GLY A 10 -7.655 11.097 -4.815 1.00 90.16 O +ATOM 62 N PRO A 11 -7.598 12.994 -3.628 1.00 88.39 N +ATOM 63 CA PRO A 11 -8.722 13.523 -4.398 1.00 90.01 C +ATOM 64 C PRO A 11 -8.446 13.572 -5.885 1.00 90.51 C +ATOM 65 O PRO A 11 -9.357 13.353 -6.688 1.00 88.11 O +ATOM 66 CB PRO A 11 -8.911 14.925 -3.817 1.00 88.57 C +ATOM 67 CG PRO A 11 -8.374 14.816 -2.430 1.00 87.95 C +ATOM 68 CD PRO A 11 -7.205 13.873 -2.532 1.00 88.35 C +ATOM 69 N THR A 12 -7.204 13.851 -6.239 1.00 92.46 N +ATOM 70 CA THR A 12 -6.786 13.869 -7.635 1.00 93.42 C +ATOM 71 C THR A 12 -5.503 13.092 -7.874 1.00 93.09 C +ATOM 72 O THR A 12 -5.252 12.667 -9.001 1.00 90.16 O +ATOM 73 CB THR A 12 -6.573 15.312 -8.119 1.00 91.62 C +ATOM 74 OG1 THR A 12 -5.550 15.925 -7.350 1.00 88.03 O +ATOM 75 CG2 THR A 12 -7.851 16.133 -7.992 1.00 86.23 C +ATOM 76 N GLY A 13 -4.688 12.928 -6.862 1.00 93.47 N +ATOM 77 CA GLY A 13 -3.393 12.318 -7.025 1.00 92.54 C +ATOM 78 C GLY A 13 -3.426 10.809 -7.115 1.00 93.61 C +ATOM 79 O GLY A 13 -4.464 10.174 -6.933 1.00 93.41 O +ATOM 80 N PRO A 14 -2.275 10.231 -7.387 1.00 92.81 N +ATOM 81 CA PRO A 14 -2.167 8.788 -7.537 1.00 92.68 C +ATOM 82 C PRO A 14 -2.206 8.084 -6.192 1.00 92.81 C +ATOM 83 O PRO A 14 -2.080 8.694 -5.140 1.00 91.21 O +ATOM 84 CB PRO A 14 -0.809 8.607 -8.206 1.00 91.44 C +ATOM 85 CG PRO A 14 -0.003 9.749 -7.695 1.00 90.36 C +ATOM 86 CD PRO A 14 -0.973 10.894 -7.582 1.00 91.29 C +HETATM 87 N HYP A 15 -2.328 6.791 -6.312 1.00 92.96 N +HETATM 88 CA HYP A 15 -2.253 5.973 -5.119 1.00 92.08 C +HETATM 89 C HYP A 15 -0.888 6.087 -4.496 1.00 94.28 C +HETATM 90 O HYP A 15 0.102 6.365 -5.183 1.00 92.74 O +HETATM 91 CB HYP A 15 -2.451 4.551 -5.712 1.00 89.72 C +HETATM 92 CG HYP A 15 -3.211 4.761 -7.013 1.00 88.29 C +HETATM 93 CD HYP A 15 -2.600 6.023 -7.546 1.00 91.37 C +HETATM 94 OD1 HYP A 15 -4.574 4.978 -6.763 1.00 89.00 O +ATOM 95 N GLY A 16 -0.856 5.937 -3.215 1.00 94.51 N +ATOM 96 CA GLY A 16 0.400 5.926 -2.524 1.00 94.25 C +ATOM 97 C GLY A 16 1.209 4.689 -2.855 1.00 94.83 C +ATOM 98 O GLY A 16 0.737 3.776 -3.535 1.00 94.54 O +ATOM 99 N PRO A 17 2.439 4.667 -2.372 1.00 92.20 N +ATOM 100 CA PRO A 17 3.292 3.523 -2.623 1.00 92.08 C +ATOM 101 C PRO A 17 2.841 2.306 -1.834 1.00 92.32 C +ATOM 102 O PRO A 17 2.078 2.413 -0.881 1.00 90.83 O +ATOM 103 CB PRO A 17 4.663 4.005 -2.163 1.00 91.10 C +ATOM 104 CG PRO A 17 4.347 4.992 -1.102 1.00 89.73 C +ATOM 105 CD PRO A 17 3.089 5.676 -1.546 1.00 90.83 C +HETATM 106 N HYP A 18 3.340 1.134 -2.268 1.00 89.09 N +HETATM 107 CA HYP A 18 3.096 -0.033 -1.507 1.00 89.48 C +HETATM 108 C HYP A 18 3.572 0.107 -0.103 1.00 92.25 C +HETATM 109 O HYP A 18 4.571 0.799 0.171 1.00 89.17 O +HETATM 110 CB HYP A 18 3.900 -1.103 -2.263 1.00 87.40 C +HETATM 111 CG HYP A 18 3.949 -0.609 -3.708 1.00 86.98 C +HETATM 112 CD HYP A 18 4.090 0.885 -3.505 1.00 90.08 C +HETATM 113 OD1 HYP A 18 2.709 -0.882 -4.347 1.00 86.79 O +ATOM 114 N GLY A 19 2.850 -0.481 0.794 1.00 89.20 N +ATOM 115 CA GLY A 19 3.253 -0.496 2.164 1.00 89.29 C +ATOM 116 C GLY A 19 4.538 -1.272 2.354 1.00 89.91 C +ATOM 117 O GLY A 19 5.042 -1.915 1.439 1.00 90.29 O +ATOM 118 N PRO A 20 5.068 -1.204 3.557 1.00 82.01 N +ATOM 119 CA PRO A 20 6.298 -1.921 3.837 1.00 82.25 C +ATOM 120 C PRO A 20 6.075 -3.424 3.835 1.00 82.41 C +ATOM 121 O PRO A 20 4.952 -3.903 3.967 1.00 83.02 O +ATOM 122 CB PRO A 20 6.681 -1.420 5.227 1.00 80.78 C +ATOM 123 CG PRO A 20 5.385 -1.047 5.841 1.00 78.19 C +ATOM 124 CD PRO A 20 4.547 -0.505 4.723 1.00 78.79 C +HETATM 125 N HYP A 21 7.174 -4.121 3.683 1.00 87.66 N +HETATM 126 CA HYP A 21 7.084 -5.548 3.765 1.00 88.38 C +HETATM 127 C HYP A 21 6.549 -6.006 5.093 1.00 88.26 C +HETATM 128 O HYP A 21 6.785 -5.357 6.108 1.00 90.66 O +HETATM 129 CB HYP A 21 8.536 -6.027 3.593 1.00 86.33 C +HETATM 130 CG HYP A 21 9.212 -4.916 2.832 1.00 83.69 C +HETATM 131 CD HYP A 21 8.550 -3.663 3.368 1.00 88.17 C +HETATM 132 OD1 HYP A 21 8.885 -5.023 1.436 1.00 82.89 O +ATOM 133 N GLY A 22 5.723 -6.996 5.046 1.00 87.51 N +ATOM 134 CA GLY A 22 5.234 -7.585 6.261 1.00 85.96 C +ATOM 135 C GLY A 22 6.354 -8.284 7.009 1.00 85.74 C +ATOM 136 O GLY A 22 7.495 -8.340 6.556 1.00 85.09 O +ATOM 137 N PRO A 23 6.037 -8.834 8.160 1.00 88.11 N +ATOM 138 CA PRO A 23 7.049 -9.569 8.902 1.00 88.16 C +ATOM 139 C PRO A 23 7.492 -10.792 8.118 1.00 86.63 C +ATOM 140 O PRO A 23 6.721 -11.367 7.351 1.00 82.88 O +ATOM 141 CB PRO A 23 6.336 -9.951 10.195 1.00 84.59 C +ATOM 142 CG PRO A 23 4.900 -9.913 9.854 1.00 81.59 C +ATOM 143 CD PRO A 23 4.738 -8.864 8.798 1.00 83.06 C +HETATM 144 N HYP A 24 8.635 -11.172 8.220 1.00 89.77 N +HETATM 145 CA HYP A 24 9.168 -12.221 7.318 1.00 84.92 C +HETATM 146 C HYP A 24 8.373 -12.479 6.149 1.00 88.69 C +HETATM 147 O HYP A 24 8.894 -12.397 4.993 1.00 85.11 O +HETATM 148 CB HYP A 24 10.219 -12.875 7.933 1.00 85.02 C +HETATM 149 CG HYP A 24 10.548 -12.014 9.165 1.00 84.16 C +HETATM 150 CD HYP A 24 9.294 -11.204 9.434 1.00 88.10 C +HETATM 151 OD1 HYP A 24 11.588 -11.080 8.864 1.00 83.68 O +HETATM 152 OXT HYP A 24 7.278 -13.111 6.321 1.00 80.94 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_7.txt b/protein_pdb_7.txt new file mode 100644 index 0000000000000000000000000000000000000000..c641d3bbc91b9a2ee6b6fa77ed77cec72b02bd87 --- /dev/null +++ b/protein_pdb_7.txt @@ -0,0 +1,136 @@ +ATOM 1 N GLY A 1 7.045 -19.904 21.709 1.00 93.13 N +ATOM 2 CA GLY A 1 7.493 -20.049 20.326 1.00 93.70 C +ATOM 3 C GLY A 1 7.978 -18.732 19.763 1.00 94.82 C +ATOM 4 O GLY A 1 7.816 -17.683 20.390 1.00 93.17 O +ATOM 5 N PRO A 2 8.575 -18.746 18.595 1.00 95.52 N +ATOM 6 CA PRO A 2 9.062 -17.513 17.974 1.00 95.97 C +ATOM 7 C PRO A 2 7.910 -16.630 17.522 1.00 96.34 C +ATOM 8 O PRO A 2 6.786 -17.086 17.347 1.00 94.87 O +ATOM 9 CB PRO A 2 9.891 -18.003 16.787 1.00 94.46 C +ATOM 10 CG PRO A 2 9.311 -19.333 16.456 1.00 92.46 C +ATOM 11 CD PRO A 2 8.848 -19.922 17.758 1.00 94.14 C +HETATM 12 N HYP A 3 8.179 -15.376 17.355 1.00 96.27 N +HETATM 13 CA HYP A 3 7.221 -14.432 16.804 1.00 95.66 C +HETATM 14 C HYP A 3 6.698 -14.857 15.463 1.00 96.99 C +HETATM 15 O HYP A 3 7.469 -15.411 14.641 1.00 95.87 O +HETATM 16 CB HYP A 3 8.000 -13.144 16.708 1.00 95.22 C +HETATM 17 CG HYP A 3 9.105 -13.285 17.689 1.00 94.24 C +HETATM 18 CD HYP A 3 9.455 -14.761 17.625 1.00 95.52 C +HETATM 19 OD1 HYP A 3 8.668 -12.981 18.995 1.00 93.67 O +ATOM 20 N GLY A 4 5.415 -14.575 15.235 1.00 97.23 N +ATOM 21 CA GLY A 4 4.830 -14.874 13.942 1.00 97.15 C +ATOM 22 C GLY A 4 5.409 -13.971 12.870 1.00 97.43 C +ATOM 23 O GLY A 4 6.099 -12.990 13.164 1.00 96.98 O +ATOM 24 N PRO A 5 5.133 -14.291 11.620 1.00 97.04 N +ATOM 25 CA PRO A 5 5.649 -13.469 10.523 1.00 97.07 C +ATOM 26 C PRO A 5 4.935 -12.127 10.458 1.00 97.23 C +ATOM 27 O PRO A 5 3.826 -11.969 10.952 1.00 96.67 O +ATOM 28 CB PRO A 5 5.366 -14.316 9.282 1.00 96.08 C +ATOM 29 CG PRO A 5 4.157 -15.106 9.662 1.00 94.47 C +ATOM 30 CD PRO A 5 4.325 -15.406 11.131 1.00 96.07 C +HETATM 31 N HYP A 6 5.554 -11.139 9.869 1.00 97.08 N +HETATM 32 CA HYP A 6 4.905 -9.889 9.567 1.00 96.75 C +HETATM 33 C HYP A 6 3.679 -10.035 8.740 1.00 97.59 C +HETATM 34 O HYP A 6 3.634 -10.938 7.887 1.00 96.90 O +HETATM 35 CB HYP A 6 5.995 -9.080 8.835 1.00 95.06 C +HETATM 36 CG HYP A 6 7.265 -9.687 9.329 1.00 94.12 C +HETATM 37 CD HYP A 6 6.918 -11.132 9.492 1.00 95.85 C +HETATM 38 OD1 HYP A 6 7.604 -9.151 10.586 1.00 92.97 O +ATOM 39 N GLY A 7 2.718 -9.170 8.952 1.00 97.42 N +ATOM 40 CA GLY A 7 1.512 -9.194 8.159 1.00 97.37 C +ATOM 41 C GLY A 7 1.796 -8.819 6.715 1.00 97.70 C +ATOM 42 O GLY A 7 2.899 -8.388 6.370 1.00 97.48 O +ATOM 43 N PRO A 8 0.799 -8.983 5.864 1.00 97.33 N +ATOM 44 CA PRO A 8 0.977 -8.648 4.453 1.00 97.47 C +ATOM 45 C PRO A 8 1.088 -7.147 4.247 1.00 97.73 C +ATOM 46 O PRO A 8 0.675 -6.358 5.092 1.00 97.20 O +ATOM 47 CB PRO A 8 -0.286 -9.207 3.796 1.00 96.59 C +ATOM 48 CG PRO A 8 -1.301 -9.150 4.879 1.00 94.90 C +ATOM 49 CD PRO A 8 -0.553 -9.458 6.153 1.00 96.61 C +HETATM 50 N HYP A 9 1.652 -6.696 3.150 1.00 97.46 N +HETATM 51 CA HYP A 9 1.644 -5.325 2.762 1.00 97.26 C +HETATM 52 C HYP A 9 0.287 -4.749 2.670 1.00 97.79 C +HETATM 53 O HYP A 9 -0.665 -5.460 2.316 1.00 97.06 O +HETATM 54 CB HYP A 9 2.331 -5.332 1.363 1.00 95.77 C +HETATM 55 CG HYP A 9 3.179 -6.540 1.423 1.00 94.53 C +HETATM 56 CD HYP A 9 2.379 -7.491 2.226 1.00 96.27 C +HETATM 57 OD1 HYP A 9 4.401 -6.276 2.129 1.00 93.17 O +ATOM 58 N GLY A 10 0.167 -3.470 3.015 1.00 97.70 N +ATOM 59 CA GLY A 10 -1.104 -2.791 2.924 1.00 97.66 C +ATOM 60 C GLY A 10 -1.559 -2.670 1.482 1.00 98.01 C +ATOM 61 O GLY A 10 -0.812 -2.967 0.545 1.00 97.75 O +ATOM 62 N PRO A 11 -2.792 -2.223 1.288 1.00 97.52 N +ATOM 63 CA PRO A 11 -3.317 -2.074 -0.064 1.00 97.65 C +ATOM 64 C PRO A 11 -2.644 -0.920 -0.802 1.00 97.81 C +ATOM 65 O PRO A 11 -2.071 -0.026 -0.184 1.00 97.38 O +ATOM 66 CB PRO A 11 -4.801 -1.802 0.160 1.00 96.80 C +ATOM 67 CG PRO A 11 -4.845 -1.157 1.498 1.00 95.28 C +ATOM 68 CD PRO A 11 -3.765 -1.818 2.303 1.00 96.96 C +HETATM 69 N HYP A 12 -2.677 -0.910 -2.098 1.00 97.78 N +HETATM 70 CA HYP A 12 -2.241 0.199 -2.897 1.00 97.38 C +HETATM 71 C HYP A 12 -2.918 1.470 -2.543 1.00 97.77 C +HETATM 72 O HYP A 12 -4.104 1.463 -2.156 1.00 97.12 O +HETATM 73 CB HYP A 12 -2.575 -0.233 -4.333 1.00 96.23 C +HETATM 74 CG HYP A 12 -2.585 -1.705 -4.267 1.00 95.28 C +HETATM 75 CD HYP A 12 -3.112 -1.990 -2.914 1.00 96.59 C +HETATM 76 OD1 HYP A 12 -1.267 -2.240 -4.348 1.00 93.87 O +ATOM 77 N GLY A 13 -2.191 2.581 -2.626 1.00 97.74 N +ATOM 78 CA GLY A 13 -2.766 3.875 -2.371 1.00 97.69 C +ATOM 79 C GLY A 13 -3.828 4.215 -3.402 1.00 97.83 C +ATOM 80 O GLY A 13 -3.990 3.518 -4.404 1.00 97.56 O +ATOM 81 N PRO A 14 -4.551 5.293 -3.163 1.00 97.41 N +ATOM 82 CA PRO A 14 -5.602 5.687 -4.099 1.00 97.35 C +ATOM 83 C PRO A 14 -5.008 6.192 -5.413 1.00 97.40 C +ATOM 84 O PRO A 14 -3.861 6.620 -5.461 1.00 96.70 O +ATOM 85 CB PRO A 14 -6.341 6.795 -3.349 1.00 96.53 C +ATOM 86 CG PRO A 14 -5.312 7.368 -2.446 1.00 95.17 C +ATOM 87 CD PRO A 14 -4.446 6.209 -2.028 1.00 96.80 C +HETATM 88 N HYP A 15 -5.763 6.144 -6.474 1.00 97.35 N +HETATM 89 CA HYP A 15 -5.374 6.743 -7.727 1.00 96.98 C +HETATM 90 C HYP A 15 -5.013 8.192 -7.608 1.00 97.46 C +HETATM 91 O HYP A 15 -5.606 8.904 -6.788 1.00 96.76 O +HETATM 92 CB HYP A 15 -6.615 6.563 -8.604 1.00 96.18 C +HETATM 93 CG HYP A 15 -7.308 5.378 -8.012 1.00 95.79 C +HETATM 94 CD HYP A 15 -7.035 5.509 -6.544 1.00 96.54 C +HETATM 95 OD1 HYP A 15 -6.728 4.155 -8.450 1.00 94.26 O +ATOM 96 N GLY A 16 -4.048 8.649 -8.384 1.00 97.21 N +ATOM 97 CA GLY A 16 -3.713 10.043 -8.429 1.00 97.19 C +ATOM 98 C GLY A 16 -4.860 10.857 -9.006 1.00 97.40 C +ATOM 99 O GLY A 16 -5.827 10.307 -9.537 1.00 96.94 O +ATOM 100 N PRO A 17 -4.754 12.170 -8.925 1.00 96.41 N +ATOM 101 CA PRO A 17 -5.815 13.016 -9.452 1.00 96.27 C +ATOM 102 C PRO A 17 -5.861 12.974 -10.972 1.00 96.32 C +ATOM 103 O PRO A 17 -4.866 12.667 -11.624 1.00 95.26 O +ATOM 104 CB PRO A 17 -5.439 14.411 -8.939 1.00 95.07 C +ATOM 105 CG PRO A 17 -3.954 14.341 -8.786 1.00 93.49 C +ATOM 106 CD PRO A 17 -3.656 12.935 -8.350 1.00 95.60 C +HETATM 107 N HYP A 18 -6.990 13.299 -11.575 1.00 96.25 N +HETATM 108 CA HYP A 18 -7.107 13.410 -12.980 1.00 95.77 C +HETATM 109 C HYP A 18 -6.183 14.445 -13.565 1.00 96.85 C +HETATM 110 O HYP A 18 -5.930 15.466 -12.915 1.00 95.61 O +HETATM 111 CB HYP A 18 -8.558 13.885 -13.190 1.00 95.02 C +HETATM 112 CG HYP A 18 -9.294 13.365 -11.992 1.00 94.15 C +HETATM 113 CD HYP A 18 -8.256 13.468 -10.893 1.00 95.11 C +HETATM 114 OD1 HYP A 18 -9.619 11.981 -12.157 1.00 91.96 O +ATOM 115 N GLY A 19 -5.650 14.181 -14.752 1.00 94.90 N +ATOM 116 CA GLY A 19 -4.818 15.150 -15.432 1.00 94.66 C +ATOM 117 C GLY A 19 -5.640 16.363 -15.836 1.00 95.23 C +ATOM 118 O GLY A 19 -6.868 16.349 -15.791 1.00 94.23 O +ATOM 119 N PRO A 20 -4.974 17.426 -16.272 1.00 94.13 N +ATOM 120 CA PRO A 20 -5.686 18.623 -16.677 1.00 94.25 C +ATOM 121 C PRO A 20 -6.428 18.409 -17.982 1.00 94.03 C +ATOM 122 O PRO A 20 -6.047 17.571 -18.794 1.00 91.65 O +ATOM 123 CB PRO A 20 -4.575 19.665 -16.825 1.00 92.19 C +ATOM 124 CG PRO A 20 -3.376 18.854 -17.169 1.00 90.53 C +ATOM 125 CD PRO A 20 -3.526 17.571 -16.404 1.00 92.98 C +HETATM 126 N HYP A 21 -7.451 19.154 -18.248 1.00 94.38 N +HETATM 127 CA HYP A 21 -8.134 19.036 -19.522 1.00 93.81 C +HETATM 128 C HYP A 21 -7.172 19.579 -20.623 1.00 93.25 C +HETATM 129 O HYP A 21 -7.047 18.902 -21.585 1.00 89.91 O +HETATM 130 CB HYP A 21 -9.315 20.035 -19.460 1.00 92.25 C +HETATM 131 CG HYP A 21 -9.563 20.245 -17.986 1.00 91.37 C +HETATM 132 CD HYP A 21 -8.192 20.047 -17.338 1.00 92.56 C +HETATM 133 OD1 HYP A 21 -10.378 19.186 -17.534 1.00 87.25 O +HETATM 134 OXT HYP A 21 -6.593 20.674 -20.397 1.00 84.28 O +TER 135 HYP A 21 +END diff --git a/protein_pdb_70.txt b/protein_pdb_70.txt new file mode 100644 index 0000000000000000000000000000000000000000..1bd830688a9e36386189d50da5c0468c9f5d5aad --- /dev/null +++ b/protein_pdb_70.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -29.505 -7.511 22.858 1.00 86.91 N +ATOM 2 CA GLY A 1 -28.152 -7.274 23.342 1.00 90.24 C +ATOM 3 C GLY A 1 -27.506 -6.103 22.637 1.00 90.43 C +ATOM 4 O GLY A 1 -28.062 -5.562 21.679 1.00 86.99 O +ATOM 5 N PRO A 2 -26.338 -5.681 23.091 1.00 92.81 N +ATOM 6 CA PRO A 2 -25.650 -4.558 22.454 1.00 94.19 C +ATOM 7 C PRO A 2 -25.155 -4.914 21.054 1.00 94.33 C +ATOM 8 O PRO A 2 -24.985 -6.082 20.730 1.00 92.73 O +ATOM 9 CB PRO A 2 -24.473 -4.263 23.393 1.00 92.29 C +ATOM 10 CG PRO A 2 -24.213 -5.567 24.061 1.00 89.22 C +ATOM 11 CD PRO A 2 -25.549 -6.249 24.188 1.00 90.85 C +HETATM 12 N HYP A 3 -24.999 -3.951 20.270 1.00 89.07 N +HETATM 13 CA HYP A 3 -24.363 -4.078 18.938 1.00 89.85 C +HETATM 14 C HYP A 3 -23.031 -4.795 19.028 1.00 87.75 C +HETATM 15 O HYP A 3 -22.301 -4.662 20.041 1.00 93.65 O +HETATM 16 CB HYP A 3 -24.272 -2.656 18.457 1.00 89.22 C +HETATM 17 CG HYP A 3 -25.361 -1.934 19.178 1.00 85.76 C +HETATM 18 CD HYP A 3 -25.340 -2.586 20.560 1.00 91.83 C +HETATM 19 OD1 HYP A 3 -26.614 -2.128 18.592 1.00 91.17 O +ATOM 20 N GLY A 4 -22.696 -5.538 17.972 1.00 94.10 N +ATOM 21 CA GLY A 4 -21.399 -6.179 17.890 1.00 94.05 C +ATOM 22 C GLY A 4 -20.277 -5.163 17.752 1.00 93.84 C +ATOM 23 O GLY A 4 -20.522 -3.977 17.521 1.00 93.22 O +ATOM 24 N PRO A 5 -19.036 -5.619 17.888 1.00 94.60 N +ATOM 25 CA PRO A 5 -17.894 -4.711 17.771 1.00 94.88 C +ATOM 26 C PRO A 5 -17.736 -4.180 16.346 1.00 95.01 C +ATOM 27 O PRO A 5 -18.199 -4.792 15.390 1.00 94.23 O +ATOM 28 CB PRO A 5 -16.704 -5.570 18.182 1.00 93.48 C +ATOM 29 CG PRO A 5 -17.136 -6.959 17.868 1.00 91.50 C +ATOM 30 CD PRO A 5 -18.624 -6.999 18.102 1.00 93.08 C +HETATM 31 N HYP A 6 -17.112 -3.050 16.227 1.00 91.29 N +HETATM 32 CA HYP A 6 -16.749 -2.488 14.902 1.00 94.45 C +HETATM 33 C HYP A 6 -15.919 -3.471 14.106 1.00 91.26 C +HETATM 34 O HYP A 6 -15.099 -4.236 14.679 1.00 93.55 O +HETATM 35 CB HYP A 6 -15.957 -1.228 15.294 1.00 92.69 C +HETATM 36 CG HYP A 6 -16.521 -0.832 16.612 1.00 87.64 C +HETATM 37 CD HYP A 6 -16.756 -2.162 17.287 1.00 91.44 C +HETATM 38 OD1 HYP A 6 -17.730 -0.130 16.468 1.00 90.97 O +ATOM 39 N GLY A 7 -16.106 -3.416 12.762 1.00 95.81 N +ATOM 40 CA GLY A 7 -15.315 -4.226 11.861 1.00 95.26 C +ATOM 41 C GLY A 7 -13.860 -3.795 11.850 1.00 95.42 C +ATOM 42 O GLY A 7 -13.501 -2.742 12.382 1.00 94.82 O +ATOM 43 N PRO A 8 -13.011 -4.596 11.225 1.00 93.62 N +ATOM 44 CA PRO A 8 -11.586 -4.261 11.162 1.00 93.76 C +ATOM 45 C PRO A 8 -11.329 -3.078 10.239 1.00 93.81 C +ATOM 46 O PRO A 8 -12.131 -2.776 9.358 1.00 92.77 O +ATOM 47 CB PRO A 8 -10.950 -5.542 10.616 1.00 92.41 C +ATOM 48 CG PRO A 8 -12.044 -6.172 9.818 1.00 91.26 C +ATOM 49 CD PRO A 8 -13.325 -5.832 10.529 1.00 92.58 C +HETATM 50 N HYP A 9 -10.225 -2.408 10.414 1.00 89.97 N +HETATM 51 CA HYP A 9 -9.790 -1.342 9.539 1.00 92.99 C +HETATM 52 C HYP A 9 -9.572 -1.820 8.141 1.00 89.15 C +HETATM 53 O HYP A 9 -9.184 -2.982 7.900 1.00 91.82 O +HETATM 54 CB HYP A 9 -8.412 -0.874 10.194 1.00 90.96 C +HETATM 55 CG HYP A 9 -8.598 -1.220 11.623 1.00 87.94 C +HETATM 56 CD HYP A 9 -9.356 -2.538 11.557 1.00 90.14 C +HETATM 57 OD1 HYP A 9 -9.368 -0.252 12.288 1.00 89.34 O +ATOM 58 N GLY A 10 -9.803 -0.902 7.200 1.00 93.63 N +ATOM 59 CA GLY A 10 -9.576 -1.207 5.806 1.00 91.77 C +ATOM 60 C GLY A 10 -8.115 -1.508 5.518 1.00 91.43 C +ATOM 61 O GLY A 10 -7.211 -1.138 6.268 1.00 90.37 O +ATOM 62 N LYS A 11 -7.904 -2.192 4.400 1.00 92.49 N +ATOM 63 CA LYS A 11 -6.562 -2.549 3.952 1.00 92.41 C +ATOM 64 C LYS A 11 -5.769 -1.287 3.601 1.00 92.13 C +ATOM 65 O LYS A 11 -6.333 -0.344 3.048 1.00 92.00 O +ATOM 66 CB LYS A 11 -6.686 -3.470 2.737 1.00 89.76 C +ATOM 67 CG LYS A 11 -5.397 -4.040 2.200 1.00 84.77 C +ATOM 68 CD LYS A 11 -5.681 -5.011 1.069 1.00 82.48 C +ATOM 69 CE LYS A 11 -4.438 -5.740 0.574 1.00 78.13 C +ATOM 70 NZ LYS A 11 -3.587 -4.868 -0.247 1.00 73.83 N +ATOM 71 N PRO A 12 -4.461 -1.242 3.897 1.00 92.88 N +ATOM 72 CA PRO A 12 -3.665 -0.090 3.468 1.00 92.86 C +ATOM 73 C PRO A 12 -3.709 0.092 1.951 1.00 92.73 C +ATOM 74 O PRO A 12 -3.880 -0.879 1.209 1.00 90.12 O +ATOM 75 CB PRO A 12 -2.239 -0.425 3.937 1.00 91.32 C +ATOM 76 CG PRO A 12 -2.446 -1.364 5.072 1.00 89.61 C +ATOM 77 CD PRO A 12 -3.660 -2.171 4.705 1.00 90.21 C +ATOM 78 N GLY A 13 -3.593 1.337 1.530 1.00 94.46 N +ATOM 79 CA GLY A 13 -3.594 1.638 0.111 1.00 93.29 C +ATOM 80 C GLY A 13 -2.373 1.086 -0.601 1.00 93.97 C +ATOM 81 O GLY A 13 -1.409 0.656 0.036 1.00 94.07 O +ATOM 82 N PRO A 14 -2.394 1.091 -1.947 1.00 94.93 N +ATOM 83 CA PRO A 14 -1.268 0.564 -2.709 1.00 95.27 C +ATOM 84 C PRO A 14 -0.052 1.483 -2.631 1.00 95.41 C +ATOM 85 O PRO A 14 -0.183 2.669 -2.363 1.00 94.24 O +ATOM 86 CB PRO A 14 -1.808 0.487 -4.141 1.00 94.08 C +ATOM 87 CG PRO A 14 -2.846 1.548 -4.183 1.00 92.66 C +ATOM 88 CD PRO A 14 -3.455 1.584 -2.811 1.00 93.79 C +HETATM 89 N HYP A 15 1.124 0.943 -2.882 1.00 88.97 N +HETATM 90 CA HYP A 15 2.351 1.703 -2.979 1.00 93.06 C +HETATM 91 C HYP A 15 2.300 2.750 -4.088 1.00 92.38 C +HETATM 92 O HYP A 15 1.608 2.529 -5.106 1.00 91.81 O +HETATM 93 CB HYP A 15 3.370 0.615 -3.294 1.00 90.16 C +HETATM 94 CG HYP A 15 2.786 -0.635 -2.693 1.00 85.79 C +HETATM 95 CD HYP A 15 1.313 -0.484 -2.965 1.00 88.20 C +HETATM 96 OD1 HYP A 15 3.005 -0.712 -1.312 1.00 91.15 O +ATOM 97 N GLY A 16 2.950 3.847 -3.861 1.00 95.83 N +ATOM 98 CA GLY A 16 3.072 4.842 -4.900 1.00 94.95 C +ATOM 99 C GLY A 16 3.937 4.341 -6.050 1.00 95.44 C +ATOM 100 O GLY A 16 4.587 3.299 -5.946 1.00 95.32 O +ATOM 101 N PRO A 17 3.943 5.086 -7.160 1.00 94.71 N +ATOM 102 CA PRO A 17 4.746 4.668 -8.307 1.00 94.75 C +ATOM 103 C PRO A 17 6.237 4.802 -8.028 1.00 94.83 C +ATOM 104 O PRO A 17 6.653 5.567 -7.170 1.00 94.03 O +ATOM 105 CB PRO A 17 4.299 5.623 -9.416 1.00 93.44 C +ATOM 106 CG PRO A 17 3.833 6.825 -8.685 1.00 91.27 C +ATOM 107 CD PRO A 17 3.236 6.335 -7.397 1.00 93.23 C +HETATM 108 N HYP A 18 7.058 4.061 -8.782 1.00 92.79 N +HETATM 109 CA HYP A 18 8.496 4.190 -8.702 1.00 94.26 C +HETATM 110 C HYP A 18 8.969 5.593 -9.114 1.00 92.47 C +HETATM 111 O HYP A 18 8.363 6.239 -9.994 1.00 93.72 O +HETATM 112 CB HYP A 18 8.985 3.154 -9.729 1.00 93.37 C +HETATM 113 CG HYP A 18 7.897 2.144 -9.795 1.00 89.47 C +HETATM 114 CD HYP A 18 6.647 2.981 -9.636 1.00 91.44 C +HETATM 115 OD1 HYP A 18 7.981 1.235 -8.733 1.00 93.45 O +ATOM 116 N GLY A 19 10.017 6.051 -8.448 1.00 94.54 N +ATOM 117 CA GLY A 19 10.613 7.315 -8.810 1.00 93.67 C +ATOM 118 C GLY A 19 11.276 7.227 -10.174 1.00 94.04 C +ATOM 119 O GLY A 19 11.444 6.145 -10.739 1.00 93.77 O +ATOM 120 N PRO A 20 11.671 8.386 -10.720 1.00 93.10 N +ATOM 121 CA PRO A 20 12.335 8.384 -12.023 1.00 92.97 C +ATOM 122 C PRO A 20 13.737 7.787 -11.938 1.00 93.04 C +ATOM 123 O PRO A 20 14.333 7.733 -10.863 1.00 92.05 O +ATOM 124 CB PRO A 20 12.376 9.867 -12.390 1.00 90.81 C +ATOM 125 CG PRO A 20 12.365 10.567 -11.080 1.00 87.39 C +ATOM 126 CD PRO A 20 11.544 9.721 -10.153 1.00 90.06 C +HETATM 127 N HYP A 21 14.295 7.316 -13.099 1.00 93.56 N +HETATM 128 CA HYP A 21 15.655 6.860 -13.154 1.00 92.99 C +HETATM 129 C HYP A 21 16.679 7.907 -12.745 1.00 94.95 C +HETATM 130 O HYP A 21 16.445 9.111 -12.979 1.00 94.29 O +HETATM 131 CB HYP A 21 15.839 6.500 -14.651 1.00 93.43 C +HETATM 132 CG HYP A 21 14.470 6.140 -15.122 1.00 91.72 C +HETATM 133 CD HYP A 21 13.592 7.109 -14.347 1.00 92.91 C +HETATM 134 OD1 HYP A 21 14.154 4.831 -14.768 1.00 92.32 O +ATOM 135 N GLY A 22 17.755 7.500 -12.114 1.00 92.04 N +ATOM 136 CA GLY A 22 18.830 8.403 -11.766 1.00 91.35 C +ATOM 137 C GLY A 22 19.494 8.971 -13.013 1.00 91.74 C +ATOM 138 O GLY A 22 19.231 8.525 -14.131 1.00 91.04 O +ATOM 139 N PRO A 23 20.393 9.952 -12.852 1.00 91.50 N +ATOM 140 CA PRO A 23 21.055 10.547 -14.007 1.00 91.45 C +ATOM 141 C PRO A 23 21.985 9.551 -14.688 1.00 91.50 C +ATOM 142 O PRO A 23 22.520 8.646 -14.045 1.00 88.61 O +ATOM 143 CB PRO A 23 21.834 11.721 -13.413 1.00 88.26 C +ATOM 144 CG PRO A 23 22.043 11.342 -11.988 1.00 84.42 C +ATOM 145 CD PRO A 23 20.845 10.527 -11.595 1.00 88.19 C +HETATM 146 N HYP A 24 22.232 9.710 -15.995 1.00 92.07 N +HETATM 147 CA HYP A 24 23.138 8.827 -16.672 1.00 92.23 C +HETATM 148 C HYP A 24 24.580 8.967 -16.172 1.00 92.45 C +HETATM 149 O HYP A 24 24.860 10.028 -15.589 1.00 93.14 O +HETATM 150 CB HYP A 24 23.111 9.333 -18.196 1.00 93.34 C +HETATM 151 CG HYP A 24 21.830 10.108 -18.319 1.00 91.71 C +HETATM 152 CD HYP A 24 21.568 10.662 -16.899 1.00 91.58 C +HETATM 153 OD1 HYP A 24 20.798 9.215 -18.633 1.00 89.80 O +HETATM 154 OXT HYP A 24 25.378 8.046 -16.408 1.00 87.48 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_71.txt b/protein_pdb_71.txt new file mode 100644 index 0000000000000000000000000000000000000000..5aa2081dd801ac9b4646e204382b89ffa518e3ea --- /dev/null +++ b/protein_pdb_71.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 7.582 -11.582 -4.618 1.00 93.61 N +ATOM 2 CA GLY A 1 6.512 -10.838 -5.187 1.00 94.24 C +ATOM 3 C GLY A 1 6.750 -9.346 -5.259 1.00 94.43 C +ATOM 4 O GLY A 1 7.646 -8.808 -4.606 1.00 92.61 O +ATOM 5 N PRO A 2 5.951 -8.692 -6.018 1.00 94.31 N +ATOM 6 CA PRO A 2 6.060 -7.247 -6.174 1.00 94.39 C +ATOM 7 C PRO A 2 5.523 -6.518 -4.962 1.00 94.03 C +ATOM 8 O PRO A 2 4.876 -7.101 -4.094 1.00 91.87 O +ATOM 9 CB PRO A 2 5.210 -6.985 -7.415 1.00 91.63 C +ATOM 10 CG PRO A 2 4.174 -8.043 -7.349 1.00 89.01 C +ATOM 11 CD PRO A 2 4.901 -9.263 -6.854 1.00 91.95 C +HETATM 12 N HYP A 3 5.815 -5.245 -4.954 1.00 95.07 N +HETATM 13 CA HYP A 3 5.297 -4.425 -3.869 1.00 93.75 C +HETATM 14 C HYP A 3 3.791 -4.408 -3.858 1.00 95.15 C +HETATM 15 O HYP A 3 3.153 -4.548 -4.915 1.00 95.50 O +HETATM 16 CB HYP A 3 5.843 -3.019 -4.256 1.00 90.90 C +HETATM 17 CG HYP A 3 7.079 -3.298 -5.102 1.00 88.67 C +HETATM 18 CD HYP A 3 6.671 -4.570 -5.894 1.00 92.63 C +HETATM 19 OD1 HYP A 3 8.146 -3.614 -4.260 1.00 90.89 O +ATOM 20 N GLY A 4 3.251 -4.305 -2.676 1.00 94.40 N +ATOM 21 CA GLY A 4 1.823 -4.239 -2.538 1.00 94.45 C +ATOM 22 C GLY A 4 1.282 -2.929 -3.077 1.00 95.24 C +ATOM 23 O GLY A 4 2.039 -2.022 -3.433 1.00 94.87 O +ATOM 24 N PRO A 5 -0.036 -2.809 -3.140 1.00 93.90 N +ATOM 25 CA PRO A 5 -0.654 -1.591 -3.649 1.00 94.28 C +ATOM 26 C PRO A 5 -0.518 -0.442 -2.663 1.00 93.71 C +ATOM 27 O PRO A 5 -0.209 -0.642 -1.490 1.00 92.00 O +ATOM 28 CB PRO A 5 -2.109 -1.992 -3.838 1.00 92.65 C +ATOM 29 CG PRO A 5 -2.321 -3.030 -2.790 1.00 90.88 C +ATOM 30 CD PRO A 5 -1.034 -3.798 -2.750 1.00 93.28 C +HETATM 31 N HYP A 6 -0.725 0.767 -3.184 1.00 93.99 N +HETATM 32 CA HYP A 6 -0.735 1.917 -2.317 1.00 95.05 C +HETATM 33 C HYP A 6 -1.735 1.794 -1.214 1.00 94.56 C +HETATM 34 O HYP A 6 -2.791 1.151 -1.390 1.00 94.85 O +HETATM 35 CB HYP A 6 -1.098 3.056 -3.291 1.00 91.82 C +HETATM 36 CG HYP A 6 -0.621 2.574 -4.631 1.00 90.78 C +HETATM 37 CD HYP A 6 -0.955 1.095 -4.578 1.00 92.66 C +HETATM 38 OD1 HYP A 6 0.767 2.747 -4.723 1.00 90.09 O +ATOM 39 N GLY A 7 -1.418 2.345 -0.087 1.00 94.91 N +ATOM 40 CA GLY A 7 -2.306 2.326 1.039 1.00 94.96 C +ATOM 41 C GLY A 7 -3.572 3.107 0.752 1.00 95.32 C +ATOM 42 O GLY A 7 -3.697 3.772 -0.276 1.00 94.83 O +ATOM 43 N PRO A 8 -4.517 3.030 1.657 1.00 94.42 N +ATOM 44 CA PRO A 8 -5.785 3.718 1.455 1.00 94.56 C +ATOM 45 C PRO A 8 -5.635 5.225 1.550 1.00 94.51 C +ATOM 46 O PRO A 8 -4.748 5.740 2.216 1.00 92.84 O +ATOM 47 CB PRO A 8 -6.668 3.172 2.570 1.00 92.83 C +ATOM 48 CG PRO A 8 -5.704 2.820 3.647 1.00 91.27 C +ATOM 49 CD PRO A 8 -4.489 2.297 2.925 1.00 93.55 C +HETATM 50 N HYP A 9 -6.538 5.913 0.878 1.00 93.87 N +HETATM 51 CA HYP A 9 -6.567 7.323 0.932 1.00 91.79 C +HETATM 52 C HYP A 9 -6.982 7.795 2.291 1.00 93.65 C +HETATM 53 O HYP A 9 -7.894 7.217 2.889 1.00 93.86 O +HETATM 54 CB HYP A 9 -7.692 7.697 -0.074 1.00 90.57 C +HETATM 55 CG HYP A 9 -7.850 6.511 -0.957 1.00 89.65 C +HETATM 56 CD HYP A 9 -7.544 5.370 -0.072 1.00 92.38 C +HETATM 57 OD1 HYP A 9 -6.883 6.574 -1.976 1.00 90.06 O +ATOM 58 N GLY A 10 -6.344 8.758 2.844 1.00 93.83 N +ATOM 59 CA GLY A 10 -6.779 9.358 4.076 1.00 93.27 C +ATOM 60 C GLY A 10 -7.837 10.403 3.777 1.00 94.03 C +ATOM 61 O GLY A 10 -7.990 10.835 2.638 1.00 93.51 O +ATOM 62 N PRO A 11 -8.557 10.854 4.800 1.00 91.89 N +ATOM 63 CA PRO A 11 -9.555 11.888 4.558 1.00 92.76 C +ATOM 64 C PRO A 11 -8.934 13.232 4.201 1.00 93.35 C +ATOM 65 O PRO A 11 -9.595 14.077 3.610 1.00 89.92 O +ATOM 66 CB PRO A 11 -10.325 11.958 5.875 1.00 90.53 C +ATOM 67 CG PRO A 11 -9.350 11.481 6.882 1.00 89.11 C +ATOM 68 CD PRO A 11 -8.541 10.415 6.182 1.00 90.57 C +ATOM 69 N GLU A 12 -7.673 13.407 4.557 1.00 93.80 N +ATOM 70 CA GLU A 12 -6.970 14.658 4.306 1.00 94.51 C +ATOM 71 C GLU A 12 -5.542 14.420 3.849 1.00 93.78 C +ATOM 72 O GLU A 12 -4.634 15.161 4.202 1.00 90.37 O +ATOM 73 CB GLU A 12 -6.958 15.515 5.578 1.00 92.39 C +ATOM 74 CG GLU A 12 -8.320 15.903 6.071 1.00 86.74 C +ATOM 75 CD GLU A 12 -8.240 16.713 7.350 1.00 81.97 C +ATOM 76 OE1 GLU A 12 -8.665 16.195 8.393 1.00 76.96 O +ATOM 77 OE2 GLU A 12 -7.737 17.845 7.296 1.00 77.93 O +ATOM 78 N GLY A 13 -5.326 13.394 3.070 1.00 94.36 N +ATOM 79 CA GLY A 13 -3.974 13.100 2.643 1.00 93.89 C +ATOM 80 C GLY A 13 -3.922 12.100 1.520 1.00 94.74 C +ATOM 81 O GLY A 13 -4.931 11.499 1.158 1.00 94.43 O +ATOM 82 N PRO A 14 -2.738 11.919 0.959 1.00 94.73 N +ATOM 83 CA PRO A 14 -2.556 10.999 -0.152 1.00 94.77 C +ATOM 84 C PRO A 14 -2.613 9.550 0.301 1.00 94.71 C +ATOM 85 O PRO A 14 -2.597 9.251 1.492 1.00 93.34 O +ATOM 86 CB PRO A 14 -1.177 11.357 -0.685 1.00 93.11 C +ATOM 87 CG PRO A 14 -0.447 11.813 0.522 1.00 91.38 C +ATOM 88 CD PRO A 14 -1.472 12.568 1.326 1.00 93.11 C +HETATM 89 N HYP A 15 -2.634 8.729 -0.678 1.00 94.67 N +HETATM 90 CA HYP A 15 -2.580 7.285 -0.416 1.00 94.66 C +HETATM 91 C HYP A 15 -1.304 6.938 0.289 1.00 95.68 C +HETATM 92 O HYP A 15 -0.271 7.663 0.142 1.00 94.83 O +HETATM 93 CB HYP A 15 -2.651 6.715 -1.850 1.00 91.83 C +HETATM 94 CG HYP A 15 -3.337 7.793 -2.671 1.00 90.32 C +HETATM 95 CD HYP A 15 -2.786 9.068 -2.091 1.00 92.97 C +HETATM 96 OD1 HYP A 15 -4.711 7.764 -2.492 1.00 91.01 O +ATOM 97 N GLY A 16 -1.351 5.903 1.063 1.00 95.63 N +ATOM 98 CA GLY A 16 -0.174 5.430 1.731 1.00 95.55 C +ATOM 99 C GLY A 16 0.814 4.846 0.739 1.00 96.04 C +ATOM 100 O GLY A 16 0.517 4.712 -0.448 1.00 95.55 O +ATOM 101 N PRO A 17 1.993 4.500 1.220 1.00 93.21 N +ATOM 102 CA PRO A 17 3.011 3.940 0.348 1.00 93.05 C +ATOM 103 C PRO A 17 2.660 2.519 -0.072 1.00 93.23 C +ATOM 104 O PRO A 17 1.808 1.873 0.528 1.00 91.46 O +ATOM 105 CB PRO A 17 4.266 3.974 1.209 1.00 91.21 C +ATOM 106 CG PRO A 17 3.743 3.830 2.591 1.00 89.21 C +ATOM 107 CD PRO A 17 2.459 4.613 2.599 1.00 91.57 C +HETATM 108 N HYP A 18 3.333 2.079 -1.126 1.00 92.09 N +HETATM 109 CA HYP A 18 3.183 0.709 -1.520 1.00 91.76 C +HETATM 110 C HYP A 18 3.526 -0.230 -0.416 1.00 93.47 C +HETATM 111 O HYP A 18 4.376 0.080 0.443 1.00 93.15 O +HETATM 112 CB HYP A 18 4.195 0.597 -2.692 1.00 90.38 C +HETATM 113 CG HYP A 18 4.313 1.992 -3.246 1.00 88.77 C +HETATM 114 CD HYP A 18 4.207 2.843 -1.988 1.00 91.90 C +HETATM 115 OD1 HYP A 18 3.202 2.248 -4.082 1.00 88.94 O +ATOM 116 N GLY A 19 2.859 -1.341 -0.399 1.00 91.54 N +ATOM 117 CA GLY A 19 3.144 -2.354 0.569 1.00 91.87 C +ATOM 118 C GLY A 19 4.524 -2.935 0.341 1.00 92.44 C +ATOM 119 O GLY A 19 5.171 -2.668 -0.667 1.00 92.59 O +ATOM 120 N PRO A 20 4.990 -3.733 1.280 1.00 89.80 N +ATOM 121 CA PRO A 20 6.299 -4.339 1.140 1.00 90.77 C +ATOM 122 C PRO A 20 6.314 -5.390 0.044 1.00 90.34 C +ATOM 123 O PRO A 20 5.270 -5.889 -0.366 1.00 89.14 O +ATOM 124 CB PRO A 20 6.543 -4.963 2.513 1.00 88.22 C +ATOM 125 CG PRO A 20 5.175 -5.266 3.003 1.00 85.54 C +ATOM 126 CD PRO A 20 4.332 -4.121 2.519 1.00 88.56 C +HETATM 127 N HYP A 21 7.515 -5.685 -0.417 1.00 92.26 N +HETATM 128 CA HYP A 21 7.635 -6.722 -1.392 1.00 92.09 C +HETATM 129 C HYP A 21 7.097 -8.039 -0.914 1.00 92.95 C +HETATM 130 O HYP A 21 7.216 -8.343 0.280 1.00 93.30 O +HETATM 131 CB HYP A 21 9.144 -6.844 -1.647 1.00 89.70 C +HETATM 132 CG HYP A 21 9.722 -5.517 -1.222 1.00 86.77 C +HETATM 133 CD HYP A 21 8.822 -5.093 -0.070 1.00 91.15 C +HETATM 134 OD1 HYP A 21 9.541 -4.565 -2.290 1.00 89.17 O +ATOM 135 N GLY A 22 6.448 -8.748 -1.765 1.00 92.04 N +ATOM 136 CA GLY A 22 5.961 -10.048 -1.425 1.00 91.25 C +ATOM 137 C GLY A 22 7.122 -11.023 -1.303 1.00 91.64 C +ATOM 138 O GLY A 22 8.265 -10.681 -1.609 1.00 90.83 O +ATOM 139 N PRO A 23 6.855 -12.240 -0.885 1.00 93.70 N +ATOM 140 CA PRO A 23 7.917 -13.234 -0.783 1.00 93.65 C +ATOM 141 C PRO A 23 8.345 -13.660 -2.175 1.00 92.30 C +ATOM 142 O PRO A 23 7.586 -14.306 -2.894 1.00 88.53 O +ATOM 143 CB PRO A 23 7.260 -14.364 -0.002 1.00 91.07 C +ATOM 144 CG PRO A 23 5.821 -14.233 -0.319 1.00 88.65 C +ATOM 145 CD PRO A 23 5.574 -12.750 -0.455 1.00 91.66 C +HETATM 146 N HYP A 24 9.370 -13.198 -2.661 1.00 96.27 N +HETATM 147 CA HYP A 24 9.701 -13.043 -4.148 1.00 92.43 C +HETATM 148 C HYP A 24 8.964 -12.232 -4.956 1.00 95.95 C +HETATM 149 O HYP A 24 9.497 -11.213 -5.557 1.00 93.76 O +HETATM 150 CB HYP A 24 11.073 -13.453 -4.351 1.00 91.46 C +HETATM 151 CG HYP A 24 11.426 -14.290 -3.108 1.00 90.47 C +HETATM 152 CD HYP A 24 10.394 -13.878 -2.013 1.00 93.84 C +HETATM 153 OD1 HYP A 24 12.721 -14.001 -2.653 1.00 90.94 O +HETATM 154 OXT HYP A 24 8.416 -12.760 -6.077 1.00 89.92 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_72.txt b/protein_pdb_72.txt new file mode 100644 index 0000000000000000000000000000000000000000..bc08ee45db946624346531d5d7efc9c4ac28438e --- /dev/null +++ b/protein_pdb_72.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 6.403 -11.112 5.196 1.00 87.14 N +ATOM 2 CA GLY A 1 5.281 -11.096 4.287 1.00 89.13 C +ATOM 3 C GLY A 1 5.476 -10.133 3.140 1.00 90.23 C +ATOM 4 O GLY A 1 6.482 -9.429 3.077 1.00 88.21 O +ATOM 5 N PRO A 2 4.457 -10.026 2.208 1.00 88.54 N +ATOM 6 CA PRO A 2 4.572 -9.154 1.051 1.00 90.08 C +ATOM 7 C PRO A 2 4.344 -7.702 1.407 1.00 90.13 C +ATOM 8 O PRO A 2 3.831 -7.371 2.471 1.00 87.62 O +ATOM 9 CB PRO A 2 3.469 -9.666 0.125 1.00 87.25 C +ATOM 10 CG PRO A 2 2.457 -10.218 1.056 1.00 83.54 C +ATOM 11 CD PRO A 2 3.232 -10.813 2.197 1.00 85.04 C +HETATM 12 N HYP A 3 4.738 -6.878 0.493 1.00 89.57 N +HETATM 13 CA HYP A 3 4.476 -5.434 0.649 1.00 89.76 C +HETATM 14 C HYP A 3 2.996 -5.163 0.730 1.00 92.48 C +HETATM 15 O HYP A 3 2.185 -5.914 0.159 1.00 91.88 O +HETATM 16 CB HYP A 3 5.020 -4.880 -0.707 1.00 88.55 C +HETATM 17 CG HYP A 3 6.074 -5.882 -1.153 1.00 85.63 C +HETATM 18 CD HYP A 3 5.454 -7.242 -0.716 1.00 88.67 C +HETATM 19 OD1 HYP A 3 7.236 -5.653 -0.399 1.00 86.68 O +ATOM 20 N GLY A 4 2.657 -4.165 1.490 1.00 92.60 N +ATOM 21 CA GLY A 4 1.282 -3.764 1.596 1.00 92.25 C +ATOM 22 C GLY A 4 0.761 -3.191 0.300 1.00 93.31 C +ATOM 23 O GLY A 4 1.512 -2.941 -0.646 1.00 93.18 O +ATOM 24 N PRO A 5 -0.538 -2.973 0.251 1.00 91.14 N +ATOM 25 CA PRO A 5 -1.139 -2.417 -0.951 1.00 91.16 C +ATOM 26 C PRO A 5 -0.797 -0.948 -1.110 1.00 90.84 C +ATOM 27 O PRO A 5 -0.353 -0.290 -0.177 1.00 89.46 O +ATOM 28 CB PRO A 5 -2.629 -2.616 -0.708 1.00 89.88 C +ATOM 29 CG PRO A 5 -2.757 -2.546 0.774 1.00 88.11 C +ATOM 30 CD PRO A 5 -1.514 -3.197 1.308 1.00 90.02 C +HETATM 31 N HYP A 6 -0.999 -0.478 -2.347 1.00 90.28 N +HETATM 32 CA HYP A 6 -0.852 0.945 -2.566 1.00 92.28 C +HETATM 33 C HYP A 6 -1.716 1.747 -1.651 1.00 92.07 C +HETATM 34 O HYP A 6 -2.819 1.290 -1.253 1.00 91.32 O +HETATM 35 CB HYP A 6 -1.293 1.072 -4.048 1.00 86.20 C +HETATM 36 CG HYP A 6 -1.007 -0.280 -4.667 1.00 86.94 C +HETATM 37 CD HYP A 6 -1.386 -1.244 -3.540 1.00 89.96 C +HETATM 38 OD1 HYP A 6 0.380 -0.392 -4.921 1.00 85.88 O +ATOM 39 N GLY A 7 -1.233 2.883 -1.275 1.00 92.62 N +ATOM 40 CA GLY A 7 -1.999 3.777 -0.459 1.00 92.15 C +ATOM 41 C GLY A 7 -3.247 4.249 -1.163 1.00 92.70 C +ATOM 42 O GLY A 7 -3.453 4.016 -2.354 1.00 92.12 O +ATOM 43 N PRO A 8 -4.095 4.922 -0.418 1.00 92.74 N +ATOM 44 CA PRO A 8 -5.342 5.383 -1.001 1.00 92.65 C +ATOM 45 C PRO A 8 -5.114 6.494 -2.004 1.00 92.62 C +ATOM 46 O PRO A 8 -4.147 7.238 -1.934 1.00 91.05 O +ATOM 47 CB PRO A 8 -6.133 5.884 0.207 1.00 91.00 C +ATOM 48 CG PRO A 8 -5.091 6.257 1.190 1.00 89.42 C +ATOM 49 CD PRO A 8 -3.956 5.293 0.985 1.00 91.20 C +HETATM 50 N HYP A 9 -6.038 6.578 -2.947 1.00 87.77 N +HETATM 51 CA HYP A 9 -5.994 7.630 -3.892 1.00 88.27 C +HETATM 52 C HYP A 9 -6.263 8.947 -3.228 1.00 90.68 C +HETATM 53 O HYP A 9 -7.082 9.029 -2.317 1.00 90.84 O +HETATM 54 CB HYP A 9 -7.210 7.301 -4.815 1.00 85.85 C +HETATM 55 CG HYP A 9 -7.506 5.867 -4.625 1.00 82.83 C +HETATM 56 CD HYP A 9 -7.150 5.605 -3.206 1.00 87.89 C +HETATM 57 OD1 HYP A 9 -6.612 5.120 -5.439 1.00 84.45 O +ATOM 58 N GLY A 10 -5.578 9.971 -3.581 1.00 92.01 N +ATOM 59 CA GLY A 10 -5.933 11.302 -3.166 1.00 90.75 C +ATOM 60 C GLY A 10 -7.143 11.787 -3.936 1.00 91.34 C +ATOM 61 O GLY A 10 -7.655 11.097 -4.815 1.00 90.16 O +ATOM 62 N PRO A 11 -7.598 12.994 -3.628 1.00 88.39 N +ATOM 63 CA PRO A 11 -8.722 13.523 -4.398 1.00 90.01 C +ATOM 64 C PRO A 11 -8.446 13.572 -5.885 1.00 90.51 C +ATOM 65 O PRO A 11 -9.357 13.353 -6.688 1.00 88.11 O +ATOM 66 CB PRO A 11 -8.911 14.925 -3.817 1.00 88.57 C +ATOM 67 CG PRO A 11 -8.374 14.816 -2.430 1.00 87.95 C +ATOM 68 CD PRO A 11 -7.205 13.873 -2.532 1.00 88.35 C +ATOM 69 N THR A 12 -7.204 13.851 -6.239 1.00 92.46 N +ATOM 70 CA THR A 12 -6.786 13.869 -7.635 1.00 93.42 C +ATOM 71 C THR A 12 -5.503 13.092 -7.874 1.00 93.09 C +ATOM 72 O THR A 12 -5.252 12.667 -9.001 1.00 90.16 O +ATOM 73 CB THR A 12 -6.573 15.312 -8.119 1.00 91.62 C +ATOM 74 OG1 THR A 12 -5.550 15.925 -7.350 1.00 88.03 O +ATOM 75 CG2 THR A 12 -7.851 16.133 -7.992 1.00 86.23 C +ATOM 76 N GLY A 13 -4.688 12.928 -6.862 1.00 93.47 N +ATOM 77 CA GLY A 13 -3.393 12.318 -7.025 1.00 92.54 C +ATOM 78 C GLY A 13 -3.426 10.809 -7.115 1.00 93.61 C +ATOM 79 O GLY A 13 -4.464 10.174 -6.933 1.00 93.41 O +ATOM 80 N PRO A 14 -2.275 10.231 -7.387 1.00 92.81 N +ATOM 81 CA PRO A 14 -2.167 8.788 -7.537 1.00 92.68 C +ATOM 82 C PRO A 14 -2.206 8.084 -6.192 1.00 92.81 C +ATOM 83 O PRO A 14 -2.080 8.694 -5.140 1.00 91.21 O +ATOM 84 CB PRO A 14 -0.809 8.607 -8.206 1.00 91.44 C +ATOM 85 CG PRO A 14 -0.003 9.749 -7.695 1.00 90.36 C +ATOM 86 CD PRO A 14 -0.973 10.894 -7.582 1.00 91.29 C +HETATM 87 N HYP A 15 -2.328 6.791 -6.312 1.00 92.96 N +HETATM 88 CA HYP A 15 -2.253 5.973 -5.119 1.00 92.08 C +HETATM 89 C HYP A 15 -0.888 6.087 -4.496 1.00 94.28 C +HETATM 90 O HYP A 15 0.102 6.365 -5.183 1.00 92.74 O +HETATM 91 CB HYP A 15 -2.451 4.551 -5.712 1.00 89.72 C +HETATM 92 CG HYP A 15 -3.211 4.761 -7.013 1.00 88.29 C +HETATM 93 CD HYP A 15 -2.600 6.023 -7.546 1.00 91.37 C +HETATM 94 OD1 HYP A 15 -4.574 4.978 -6.763 1.00 89.00 O +ATOM 95 N GLY A 16 -0.856 5.937 -3.215 1.00 94.51 N +ATOM 96 CA GLY A 16 0.400 5.926 -2.524 1.00 94.25 C +ATOM 97 C GLY A 16 1.209 4.689 -2.855 1.00 94.83 C +ATOM 98 O GLY A 16 0.737 3.776 -3.535 1.00 94.54 O +ATOM 99 N PRO A 17 2.439 4.667 -2.372 1.00 92.20 N +ATOM 100 CA PRO A 17 3.292 3.523 -2.623 1.00 92.08 C +ATOM 101 C PRO A 17 2.841 2.306 -1.834 1.00 92.32 C +ATOM 102 O PRO A 17 2.078 2.413 -0.881 1.00 90.83 O +ATOM 103 CB PRO A 17 4.663 4.005 -2.163 1.00 91.10 C +ATOM 104 CG PRO A 17 4.347 4.992 -1.102 1.00 89.73 C +ATOM 105 CD PRO A 17 3.089 5.676 -1.546 1.00 90.83 C +HETATM 106 N HYP A 18 3.340 1.134 -2.268 1.00 89.09 N +HETATM 107 CA HYP A 18 3.096 -0.033 -1.507 1.00 89.48 C +HETATM 108 C HYP A 18 3.572 0.107 -0.103 1.00 92.25 C +HETATM 109 O HYP A 18 4.571 0.799 0.171 1.00 89.17 O +HETATM 110 CB HYP A 18 3.900 -1.103 -2.263 1.00 87.40 C +HETATM 111 CG HYP A 18 3.949 -0.609 -3.708 1.00 86.98 C +HETATM 112 CD HYP A 18 4.090 0.885 -3.505 1.00 90.08 C +HETATM 113 OD1 HYP A 18 2.709 -0.882 -4.347 1.00 86.79 O +ATOM 114 N GLY A 19 2.850 -0.481 0.794 1.00 89.20 N +ATOM 115 CA GLY A 19 3.253 -0.496 2.164 1.00 89.29 C +ATOM 116 C GLY A 19 4.538 -1.272 2.354 1.00 89.91 C +ATOM 117 O GLY A 19 5.042 -1.915 1.439 1.00 90.29 O +ATOM 118 N PRO A 20 5.068 -1.204 3.557 1.00 82.01 N +ATOM 119 CA PRO A 20 6.298 -1.921 3.837 1.00 82.25 C +ATOM 120 C PRO A 20 6.075 -3.424 3.835 1.00 82.41 C +ATOM 121 O PRO A 20 4.952 -3.903 3.967 1.00 83.02 O +ATOM 122 CB PRO A 20 6.681 -1.420 5.227 1.00 80.78 C +ATOM 123 CG PRO A 20 5.385 -1.047 5.841 1.00 78.19 C +ATOM 124 CD PRO A 20 4.547 -0.505 4.723 1.00 78.79 C +HETATM 125 N HYP A 21 7.174 -4.121 3.683 1.00 87.66 N +HETATM 126 CA HYP A 21 7.084 -5.548 3.765 1.00 88.38 C +HETATM 127 C HYP A 21 6.549 -6.006 5.093 1.00 88.26 C +HETATM 128 O HYP A 21 6.785 -5.357 6.108 1.00 90.66 O +HETATM 129 CB HYP A 21 8.536 -6.027 3.593 1.00 86.33 C +HETATM 130 CG HYP A 21 9.212 -4.916 2.832 1.00 83.69 C +HETATM 131 CD HYP A 21 8.550 -3.663 3.368 1.00 88.17 C +HETATM 132 OD1 HYP A 21 8.885 -5.023 1.436 1.00 82.89 O +ATOM 133 N GLY A 22 5.723 -6.996 5.046 1.00 87.51 N +ATOM 134 CA GLY A 22 5.234 -7.585 6.261 1.00 85.96 C +ATOM 135 C GLY A 22 6.354 -8.284 7.009 1.00 85.74 C +ATOM 136 O GLY A 22 7.495 -8.340 6.556 1.00 85.09 O +ATOM 137 N PRO A 23 6.037 -8.834 8.160 1.00 88.11 N +ATOM 138 CA PRO A 23 7.049 -9.569 8.902 1.00 88.16 C +ATOM 139 C PRO A 23 7.492 -10.792 8.118 1.00 86.63 C +ATOM 140 O PRO A 23 6.721 -11.367 7.351 1.00 82.88 O +ATOM 141 CB PRO A 23 6.336 -9.951 10.195 1.00 84.59 C +ATOM 142 CG PRO A 23 4.900 -9.913 9.854 1.00 81.59 C +ATOM 143 CD PRO A 23 4.738 -8.864 8.798 1.00 83.06 C +HETATM 144 N HYP A 24 8.635 -11.172 8.220 1.00 89.77 N +HETATM 145 CA HYP A 24 9.168 -12.221 7.318 1.00 84.92 C +HETATM 146 C HYP A 24 8.373 -12.479 6.149 1.00 88.69 C +HETATM 147 O HYP A 24 8.894 -12.397 4.993 1.00 85.11 O +HETATM 148 CB HYP A 24 10.219 -12.875 7.933 1.00 85.02 C +HETATM 149 CG HYP A 24 10.548 -12.014 9.165 1.00 84.16 C +HETATM 150 CD HYP A 24 9.294 -11.204 9.434 1.00 88.10 C +HETATM 151 OD1 HYP A 24 11.588 -11.080 8.864 1.00 83.68 O +HETATM 152 OXT HYP A 24 7.278 -13.111 6.321 1.00 80.94 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_73.txt b/protein_pdb_73.txt new file mode 100644 index 0000000000000000000000000000000000000000..9c3c83806d8fa9d7b141e51286f8062ca30f3a6a --- /dev/null +++ b/protein_pdb_73.txt @@ -0,0 +1,136 @@ +ATOM 1 N GLY A 1 4.304 -7.135 2.454 1.00 81.53 N +ATOM 2 CA GLY A 1 4.345 -6.047 1.517 1.00 81.60 C +ATOM 3 C GLY A 1 4.062 -4.649 2.056 1.00 82.32 C +ATOM 4 O GLY A 1 3.442 -4.478 3.099 1.00 80.60 O +ATOM 5 N PRO A 2 4.529 -3.593 1.359 1.00 85.32 N +ATOM 6 CA PRO A 2 4.355 -2.203 1.735 1.00 86.37 C +ATOM 7 C PRO A 2 2.996 -1.655 1.328 1.00 86.44 C +ATOM 8 O PRO A 2 2.301 -2.232 0.508 1.00 83.73 O +ATOM 9 CB PRO A 2 5.479 -1.497 0.981 1.00 82.93 C +ATOM 10 CG PRO A 2 5.692 -2.337 -0.220 1.00 80.05 C +ATOM 11 CD PRO A 2 5.382 -3.753 0.181 1.00 82.74 C +HETATM 12 N HYP A 3 2.614 -0.405 1.895 1.00 83.97 N +HETATM 13 CA HYP A 3 1.357 0.150 1.560 1.00 89.56 C +HETATM 14 C HYP A 3 1.262 0.646 0.110 1.00 87.49 C +HETATM 15 O HYP A 3 2.264 1.019 -0.525 1.00 86.47 O +HETATM 16 CB HYP A 3 1.417 1.410 2.487 1.00 83.02 C +HETATM 17 CG HYP A 3 2.200 0.957 3.648 1.00 83.27 C +HETATM 18 CD HYP A 3 3.292 0.181 2.992 1.00 84.52 C +HETATM 19 OD1 HYP A 3 1.425 0.110 4.466 1.00 82.88 O +ATOM 20 N GLY A 4 0.079 0.555 -0.394 1.00 88.43 N +ATOM 21 CA GLY A 4 -0.154 1.067 -1.717 1.00 87.35 C +ATOM 22 C GLY A 4 -0.077 2.586 -1.737 1.00 87.03 C +ATOM 23 O GLY A 4 0.095 3.233 -0.708 1.00 85.32 O +ATOM 24 N PRO A 5 -0.189 3.153 -2.910 1.00 86.84 N +ATOM 25 CA PRO A 5 -0.153 4.606 -3.027 1.00 85.57 C +ATOM 26 C PRO A 5 -1.413 5.222 -2.439 1.00 85.23 C +ATOM 27 O PRO A 5 -2.420 4.553 -2.244 1.00 82.90 O +ATOM 28 CB PRO A 5 -0.067 4.832 -4.528 1.00 83.69 C +ATOM 29 CG PRO A 5 -0.765 3.646 -5.104 1.00 81.97 C +ATOM 30 CD PRO A 5 -0.426 2.505 -4.184 1.00 83.43 C +HETATM 31 N HYP A 6 -1.350 6.545 -2.196 1.00 83.38 N +HETATM 32 CA HYP A 6 -2.499 7.190 -1.727 1.00 87.05 C +HETATM 33 C HYP A 6 -3.736 7.090 -2.590 1.00 85.49 C +HETATM 34 O HYP A 6 -3.632 7.142 -3.833 1.00 86.12 O +HETATM 35 CB HYP A 6 -2.013 8.619 -1.581 1.00 84.47 C +HETATM 36 CG HYP A 6 -0.586 8.444 -1.218 1.00 84.19 C +HETATM 37 CD HYP A 6 -0.184 7.336 -2.118 1.00 86.24 C +HETATM 38 OD1 HYP A 6 -0.419 8.059 0.108 1.00 83.59 O +ATOM 39 N GLY A 7 -4.832 6.796 -1.937 1.00 87.32 N +ATOM 40 CA GLY A 7 -6.093 6.696 -2.621 1.00 85.27 C +ATOM 41 C GLY A 7 -6.653 8.071 -2.927 1.00 86.00 C +ATOM 42 O GLY A 7 -6.008 9.093 -2.688 1.00 84.61 O +ATOM 43 N PRO A 8 -7.868 8.110 -3.441 1.00 87.33 N +ATOM 44 CA PRO A 8 -8.501 9.391 -3.738 1.00 87.67 C +ATOM 45 C PRO A 8 -8.810 10.160 -2.459 1.00 87.63 C +ATOM 46 O PRO A 8 -9.057 9.577 -1.405 1.00 85.61 O +ATOM 47 CB PRO A 8 -9.768 8.998 -4.485 1.00 85.59 C +ATOM 48 CG PRO A 8 -10.039 7.606 -4.072 1.00 84.36 C +ATOM 49 CD PRO A 8 -8.716 6.971 -3.767 1.00 84.82 C +HETATM 50 N HYP A 9 -8.748 11.469 -2.552 1.00 86.36 N +HETATM 51 CA HYP A 9 -9.187 12.261 -1.403 1.00 88.26 C +HETATM 52 C HYP A 9 -8.553 11.981 -0.198 1.00 85.19 C +HETATM 53 O HYP A 9 -9.260 11.747 0.800 1.00 82.67 O +HETATM 54 CB HYP A 9 -9.368 13.602 -1.976 1.00 83.34 C +HETATM 55 CG HYP A 9 -8.769 13.560 -3.393 1.00 86.44 C +HETATM 56 CD HYP A 9 -8.591 12.141 -3.728 1.00 86.07 C +HETATM 57 OD1 HYP A 9 -7.540 14.205 -3.498 1.00 81.61 O +ATOM 58 N GLY A 10 -7.257 11.873 -0.162 1.00 88.20 N +ATOM 59 CA GLY A 10 -6.458 11.784 1.030 1.00 87.06 C +ATOM 60 C GLY A 10 -6.535 10.465 1.763 1.00 87.69 C +ATOM 61 O GLY A 10 -5.941 10.332 2.838 1.00 84.77 O +ATOM 62 N THR A 11 -7.251 9.494 1.220 1.00 86.95 N +ATOM 63 CA THR A 11 -7.311 8.180 1.854 1.00 86.61 C +ATOM 64 C THR A 11 -6.178 7.320 1.330 1.00 86.29 C +ATOM 65 O THR A 11 -5.907 7.289 0.136 1.00 84.30 O +ATOM 66 CB THR A 11 -8.652 7.483 1.595 1.00 84.46 C +ATOM 67 OG1 THR A 11 -8.800 7.229 0.204 1.00 81.51 O +ATOM 68 CG2 THR A 11 -9.809 8.347 2.069 1.00 81.11 C +HETATM 69 N HYP A 12 -5.552 6.595 2.197 1.00 87.78 N +HETATM 70 CA HYP A 12 -4.450 5.775 1.780 1.00 89.78 C +HETATM 71 C HYP A 12 -4.942 4.645 0.873 1.00 91.73 C +HETATM 72 O HYP A 12 -6.040 4.117 1.017 1.00 86.96 O +HETATM 73 CB HYP A 12 -3.898 5.250 3.064 1.00 84.51 C +HETATM 74 CG HYP A 12 -4.189 6.352 3.982 1.00 83.18 C +HETATM 75 CD HYP A 12 -5.556 6.750 3.603 1.00 86.79 C +HETATM 76 OD1 HYP A 12 -3.298 7.408 3.822 1.00 83.39 O +ATOM 77 N GLY A 13 -4.041 4.320 -0.034 1.00 89.24 N +ATOM 78 CA GLY A 13 -4.320 3.178 -0.873 1.00 88.09 C +ATOM 79 C GLY A 13 -4.267 1.902 -0.064 1.00 88.73 C +ATOM 80 O GLY A 13 -3.855 1.890 1.098 1.00 87.15 O +ATOM 81 N PRO A 14 -4.688 0.816 -0.671 1.00 89.21 N +ATOM 82 CA PRO A 14 -4.627 -0.466 0.022 1.00 89.55 C +ATOM 83 C PRO A 14 -3.184 -0.921 0.167 1.00 89.70 C +ATOM 84 O PRO A 14 -2.292 -0.443 -0.528 1.00 86.76 O +ATOM 85 CB PRO A 14 -5.401 -1.400 -0.899 1.00 87.37 C +ATOM 86 CG PRO A 14 -5.218 -0.803 -2.250 1.00 86.49 C +ATOM 87 CD PRO A 14 -5.169 0.688 -2.023 1.00 88.51 C +HETATM 88 N HYP A 15 -2.944 -1.820 1.073 1.00 88.05 N +HETATM 89 CA HYP A 15 -1.661 -2.363 1.185 1.00 89.28 C +HETATM 90 C HYP A 15 -1.140 -2.947 -0.084 1.00 88.86 C +HETATM 91 O HYP A 15 -1.929 -3.485 -0.893 1.00 87.92 O +HETATM 92 CB HYP A 15 -1.867 -3.355 2.294 1.00 86.18 C +HETATM 93 CG HYP A 15 -2.930 -2.755 3.123 1.00 83.82 C +HETATM 94 CD HYP A 15 -3.858 -2.210 2.098 1.00 87.85 C +HETATM 95 OD1 HYP A 15 -2.436 -1.718 3.927 1.00 83.79 O +ATOM 96 N GLY A 16 0.139 -2.780 -0.304 1.00 85.91 N +ATOM 97 CA GLY A 16 0.770 -3.382 -1.444 1.00 84.49 C +ATOM 98 C GLY A 16 0.731 -4.896 -1.350 1.00 84.40 C +ATOM 99 O GLY A 16 0.289 -5.464 -0.352 1.00 82.04 O +ATOM 100 N PRO A 17 1.188 -5.539 -2.383 1.00 82.31 N +ATOM 101 CA PRO A 17 1.206 -6.992 -2.362 1.00 81.87 C +ATOM 102 C PRO A 17 2.203 -7.501 -1.335 1.00 81.32 C +ATOM 103 O PRO A 17 3.144 -6.801 -0.969 1.00 78.10 O +ATOM 104 CB PRO A 17 1.626 -7.362 -3.785 1.00 79.71 C +ATOM 105 CG PRO A 17 2.411 -6.186 -4.244 1.00 78.95 C +ATOM 106 CD PRO A 17 1.768 -4.995 -3.596 1.00 80.48 C +HETATM 107 N HYP A 18 2.012 -8.694 -0.879 1.00 80.45 N +HETATM 108 CA HYP A 18 2.920 -9.274 0.009 1.00 85.27 C +HETATM 109 C HYP A 18 4.306 -9.294 -0.491 1.00 82.55 C +HETATM 110 O HYP A 18 4.534 -9.429 -1.700 1.00 78.98 O +HETATM 111 CB HYP A 18 2.333 -10.634 0.248 1.00 79.42 C +HETATM 112 CG HYP A 18 0.842 -10.426 0.088 1.00 81.23 C +HETATM 113 CD HYP A 18 0.800 -9.457 -1.027 1.00 84.36 C +HETATM 114 OD1 HYP A 18 0.291 -9.837 1.231 1.00 80.57 O +ATOM 115 N GLY A 19 5.248 -8.979 0.361 1.00 80.80 N +ATOM 116 CA GLY A 19 6.647 -9.071 0.017 1.00 77.76 C +ATOM 117 C GLY A 19 7.047 -10.526 -0.189 1.00 77.73 C +ATOM 118 O GLY A 19 6.246 -11.437 -0.027 1.00 75.35 O +ATOM 119 N PRO A 20 8.283 -10.727 -0.513 1.00 69.13 N +ATOM 120 CA PRO A 20 8.752 -12.096 -0.656 1.00 73.65 C +ATOM 121 C PRO A 20 8.911 -12.758 0.716 1.00 73.33 C +ATOM 122 O PRO A 20 9.525 -12.200 1.597 1.00 69.81 O +ATOM 123 CB PRO A 20 10.099 -11.915 -1.375 1.00 69.58 C +ATOM 124 CG PRO A 20 10.550 -10.556 -0.965 1.00 65.96 C +ATOM 125 CD PRO A 20 9.297 -9.740 -0.801 1.00 67.36 C +HETATM 126 N HYP A 21 8.018 -13.531 0.728 1.00 66.38 N +HETATM 127 CA HYP A 21 6.791 -14.083 0.529 1.00 56.41 C +HETATM 128 C HYP A 21 5.547 -13.596 0.097 1.00 60.85 C +HETATM 129 O HYP A 21 4.390 -13.877 0.402 1.00 58.72 O +HETATM 130 CB HYP A 21 6.703 -15.475 0.769 1.00 59.27 C +HETATM 131 CG HYP A 21 8.096 -15.879 0.638 1.00 66.40 C +HETATM 132 CD HYP A 21 8.863 -14.576 0.929 1.00 67.38 C +HETATM 133 OD1 HYP A 21 8.518 -16.946 1.405 1.00 70.13 O +HETATM 134 OXT HYP A 21 5.564 -12.765 -0.797 1.00 65.65 O +TER 135 HYP A 21 +END diff --git a/protein_pdb_74.txt b/protein_pdb_74.txt new file mode 100644 index 0000000000000000000000000000000000000000..5b04b4673a587bc0765ed206c344e948debf3cc1 --- /dev/null +++ b/protein_pdb_74.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 6.549 -1.622 -13.882 1.00 83.50 N +ATOM 2 CA GLY A 1 6.783 -0.314 -13.294 1.00 85.42 C +ATOM 3 C GLY A 1 7.130 -0.431 -11.833 1.00 86.31 C +ATOM 4 O GLY A 1 7.163 -1.528 -11.281 1.00 83.88 O +ATOM 5 N PRO A 2 7.367 0.686 -11.179 1.00 88.40 N +ATOM 6 CA PRO A 2 7.721 0.651 -9.764 1.00 89.28 C +ATOM 7 C PRO A 2 6.552 0.241 -8.891 1.00 89.74 C +ATOM 8 O PRO A 2 5.401 0.285 -9.306 1.00 88.01 O +ATOM 9 CB PRO A 2 8.150 2.095 -9.478 1.00 85.84 C +ATOM 10 CG PRO A 2 7.393 2.899 -10.462 1.00 82.23 C +ATOM 11 CD PRO A 2 7.348 2.054 -11.706 1.00 83.34 C +HETATM 12 N HYP A 3 6.868 -0.196 -7.725 1.00 87.38 N +HETATM 13 CA HYP A 3 5.829 -0.511 -6.747 1.00 84.78 C +HETATM 14 C HYP A 3 4.938 0.679 -6.495 1.00 87.87 C +HETATM 15 O HYP A 3 5.393 1.835 -6.580 1.00 90.60 O +HETATM 16 CB HYP A 3 6.649 -0.877 -5.484 1.00 88.04 C +HETATM 17 CG HYP A 3 7.938 -1.422 -6.053 1.00 85.71 C +HETATM 18 CD HYP A 3 8.173 -0.478 -7.245 1.00 87.77 C +HETATM 19 OD1 HYP A 3 7.707 -2.718 -6.526 1.00 87.36 O +ATOM 20 N GLY A 4 3.696 0.380 -6.245 1.00 89.72 N +ATOM 21 CA GLY A 4 2.760 1.423 -5.955 1.00 89.28 C +ATOM 22 C GLY A 4 3.068 2.070 -4.618 1.00 89.00 C +ATOM 23 O GLY A 4 3.911 1.597 -3.860 1.00 89.88 O +ATOM 24 N PRO A 5 2.384 3.173 -4.326 1.00 89.51 N +ATOM 25 CA PRO A 5 2.615 3.862 -3.065 1.00 88.68 C +ATOM 26 C PRO A 5 2.037 3.090 -1.892 1.00 88.63 C +ATOM 27 O PRO A 5 1.219 2.196 -2.066 1.00 87.87 O +ATOM 28 CB PRO A 5 1.900 5.194 -3.265 1.00 86.88 C +ATOM 29 CG PRO A 5 0.789 4.855 -4.199 1.00 85.19 C +ATOM 30 CD PRO A 5 1.376 3.842 -5.140 1.00 86.87 C +HETATM 31 N HYP A 6 2.496 3.433 -0.688 1.00 88.45 N +HETATM 32 CA HYP A 6 1.931 2.829 0.495 1.00 91.49 C +HETATM 33 C HYP A 6 0.452 3.082 0.615 1.00 89.39 C +HETATM 34 O HYP A 6 -0.053 4.144 0.162 1.00 90.04 O +HETATM 35 CB HYP A 6 2.694 3.604 1.617 1.00 87.25 C +HETATM 36 CG HYP A 6 3.989 3.994 0.972 1.00 87.29 C +HETATM 37 CD HYP A 6 3.559 4.356 -0.426 1.00 89.01 C +HETATM 38 OD1 HYP A 6 4.845 2.871 0.928 1.00 87.28 O +ATOM 39 N GLY A 7 -0.235 2.110 1.131 1.00 91.21 N +ATOM 40 CA GLY A 7 -1.651 2.249 1.326 1.00 90.29 C +ATOM 41 C GLY A 7 -1.941 3.277 2.395 1.00 90.52 C +ATOM 42 O GLY A 7 -1.035 3.776 3.070 1.00 90.74 O +ATOM 43 N PRO A 8 -3.215 3.611 2.561 1.00 91.02 N +ATOM 44 CA PRO A 8 -3.584 4.586 3.574 1.00 90.46 C +ATOM 45 C PRO A 8 -3.485 3.989 4.973 1.00 90.74 C +ATOM 46 O PRO A 8 -3.440 2.774 5.146 1.00 89.38 O +ATOM 47 CB PRO A 8 -5.028 4.922 3.222 1.00 88.06 C +ATOM 48 CG PRO A 8 -5.534 3.671 2.607 1.00 87.15 C +ATOM 49 CD PRO A 8 -4.369 3.124 1.819 1.00 88.34 C +HETATM 50 N HYP A 9 -3.450 4.862 5.976 1.00 84.17 N +HETATM 51 CA HYP A 9 -3.453 4.413 7.316 1.00 88.48 C +HETATM 52 C HYP A 9 -4.727 3.641 7.656 1.00 85.27 C +HETATM 53 O HYP A 9 -5.785 3.922 7.068 1.00 89.21 O +HETATM 54 CB HYP A 9 -3.422 5.734 8.148 1.00 84.87 C +HETATM 55 CG HYP A 9 -2.746 6.695 7.244 1.00 82.83 C +HETATM 56 CD HYP A 9 -3.250 6.316 5.890 1.00 86.76 C +HETATM 57 OD1 HYP A 9 -1.356 6.483 7.284 1.00 82.76 O +ATOM 58 N GLY A 10 -4.646 2.684 8.502 1.00 90.69 N +ATOM 59 CA GLY A 10 -5.827 2.016 8.980 1.00 88.18 C +ATOM 60 C GLY A 10 -6.590 2.957 9.891 1.00 88.41 C +ATOM 61 O GLY A 10 -6.325 4.154 9.923 1.00 86.73 O +ATOM 62 N GLN A 11 -7.533 2.411 10.643 1.00 90.61 N +ATOM 63 CA GLN A 11 -8.285 3.253 11.566 1.00 91.04 C +ATOM 64 C GLN A 11 -7.342 4.085 12.422 1.00 90.94 C +ATOM 65 O GLN A 11 -7.540 5.282 12.601 1.00 86.37 O +ATOM 66 CB GLN A 11 -9.172 2.388 12.464 1.00 88.76 C +ATOM 67 CG GLN A 11 -10.335 1.749 11.732 1.00 82.62 C +ATOM 68 CD GLN A 11 -11.425 2.750 11.365 1.00 75.84 C +ATOM 69 OE1 GLN A 11 -11.404 3.897 11.807 1.00 72.44 O +ATOM 70 NE2 GLN A 11 -12.374 2.323 10.561 1.00 69.29 N +ATOM 71 N ARG A 12 -6.308 3.445 12.941 1.00 91.10 N +ATOM 72 CA ARG A 12 -5.251 4.112 13.687 1.00 92.21 C +ATOM 73 C ARG A 12 -3.920 3.417 13.442 1.00 92.42 C +ATOM 74 O ARG A 12 -2.993 3.540 14.243 1.00 88.71 O +ATOM 75 CB ARG A 12 -5.561 4.118 15.193 1.00 89.04 C +ATOM 76 CG ARG A 12 -6.740 4.987 15.567 1.00 82.02 C +ATOM 77 CD ARG A 12 -7.056 4.943 17.047 1.00 77.97 C +ATOM 78 NE ARG A 12 -5.991 5.477 17.863 1.00 73.60 N +ATOM 79 CZ ARG A 12 -5.120 4.748 18.564 1.00 69.65 C +ATOM 80 NH1 ARG A 12 -5.190 3.420 18.528 1.00 67.55 N +ATOM 81 NH2 ARG A 12 -4.197 5.329 19.272 1.00 62.56 N +ATOM 82 N GLY A 13 -3.833 2.684 12.340 1.00 93.92 N +ATOM 83 CA GLY A 13 -2.665 1.879 12.058 1.00 93.14 C +ATOM 84 C GLY A 13 -1.718 2.512 11.072 1.00 93.53 C +ATOM 85 O GLY A 13 -1.953 3.611 10.575 1.00 93.07 O +ATOM 86 N PRO A 14 -0.625 1.815 10.792 1.00 93.62 N +ATOM 87 CA PRO A 14 0.365 2.316 9.853 1.00 93.17 C +ATOM 88 C PRO A 14 -0.139 2.229 8.427 1.00 93.21 C +ATOM 89 O PRO A 14 -1.143 1.588 8.145 1.00 92.44 O +ATOM 90 CB PRO A 14 1.550 1.380 10.071 1.00 91.63 C +ATOM 91 CG PRO A 14 0.916 0.094 10.484 1.00 91.05 C +ATOM 92 CD PRO A 14 -0.261 0.510 11.331 1.00 91.84 C +HETATM 93 N HYP A 15 0.595 2.884 7.561 1.00 92.89 N +HETATM 94 CA HYP A 15 0.282 2.773 6.148 1.00 91.17 C +HETATM 95 C HYP A 15 0.332 1.363 5.663 1.00 93.68 C +HETATM 96 O HYP A 15 1.113 0.551 6.217 1.00 92.90 O +HETATM 97 CB HYP A 15 1.380 3.659 5.532 1.00 90.72 C +HETATM 98 CG HYP A 15 1.752 4.621 6.642 1.00 89.46 C +HETATM 99 CD HYP A 15 1.665 3.767 7.887 1.00 91.54 C +HETATM 100 OD1 HYP A 15 0.821 5.672 6.711 1.00 89.67 O +ATOM 101 N GLY A 16 -0.463 1.055 4.683 1.00 94.30 N +ATOM 102 CA GLY A 16 -0.454 -0.256 4.107 1.00 93.75 C +ATOM 103 C GLY A 16 0.827 -0.489 3.334 1.00 94.21 C +ATOM 104 O GLY A 16 1.628 0.425 3.141 1.00 94.13 O +ATOM 105 N PRO A 17 1.023 -1.730 2.883 1.00 94.14 N +ATOM 106 CA PRO A 17 2.226 -2.046 2.130 1.00 93.59 C +ATOM 107 C PRO A 17 2.198 -1.413 0.755 1.00 94.23 C +ATOM 108 O PRO A 17 1.150 -1.019 0.253 1.00 93.57 O +ATOM 109 CB PRO A 17 2.194 -3.574 2.053 1.00 92.25 C +ATOM 110 CG PRO A 17 0.747 -3.899 2.111 1.00 91.22 C +ATOM 111 CD PRO A 17 0.156 -2.891 3.053 1.00 92.65 C +HETATM 112 N HYP A 18 3.368 -1.309 0.142 1.00 92.17 N +HETATM 113 CA HYP A 18 3.443 -0.832 -1.209 1.00 92.88 C +HETATM 114 C HYP A 18 2.623 -1.659 -2.145 1.00 92.46 C +HETATM 115 O HYP A 18 2.458 -2.889 -1.930 1.00 92.81 O +HETATM 116 CB HYP A 18 4.940 -0.963 -1.518 1.00 90.79 C +HETATM 117 CG HYP A 18 5.610 -0.864 -0.172 1.00 90.14 C +HETATM 118 CD HYP A 18 4.640 -1.614 0.722 1.00 92.09 C +HETATM 119 OD1 HYP A 18 5.663 0.499 0.233 1.00 90.22 O +ATOM 120 N GLY A 19 2.093 -1.047 -3.155 1.00 92.92 N +ATOM 121 CA GLY A 19 1.346 -1.749 -4.162 1.00 92.65 C +ATOM 122 C GLY A 19 2.265 -2.606 -5.007 1.00 92.71 C +ATOM 123 O GLY A 19 3.488 -2.518 -4.915 1.00 92.86 O +ATOM 124 N PRO A 20 1.671 -3.449 -5.842 1.00 90.10 N +ATOM 125 CA PRO A 20 2.472 -4.312 -6.695 1.00 89.16 C +ATOM 126 C PRO A 20 3.143 -3.522 -7.802 1.00 89.22 C +ATOM 127 O PRO A 20 2.772 -2.392 -8.090 1.00 89.60 O +ATOM 128 CB PRO A 20 1.439 -5.298 -7.246 1.00 86.80 C +ATOM 129 CG PRO A 20 0.181 -4.515 -7.257 1.00 84.80 C +ATOM 130 CD PRO A 20 0.238 -3.654 -6.032 1.00 85.76 C +HETATM 131 N HYP A 21 4.164 -4.122 -8.399 1.00 89.16 N +HETATM 132 CA HYP A 21 4.792 -3.527 -9.541 1.00 88.19 C +HETATM 133 C HYP A 21 3.834 -3.175 -10.654 1.00 89.27 C +HETATM 134 O HYP A 21 2.840 -3.909 -10.843 1.00 93.10 O +HETATM 135 CB HYP A 21 5.801 -4.578 -9.994 1.00 88.42 C +HETATM 136 CG HYP A 21 6.118 -5.347 -8.741 1.00 86.78 C +HETATM 137 CD HYP A 21 4.809 -5.385 -8.021 1.00 89.64 C +HETATM 138 OD1 HYP A 21 7.030 -4.592 -7.938 1.00 88.63 O +ATOM 139 N GLY A 22 4.039 -2.076 -11.318 1.00 90.84 N +ATOM 140 CA GLY A 22 3.197 -1.676 -12.405 1.00 88.97 C +ATOM 141 C GLY A 22 3.362 -2.609 -13.594 1.00 88.82 C +ATOM 142 O GLY A 22 4.186 -3.520 -13.571 1.00 88.57 O +ATOM 143 N PRO A 23 2.585 -2.384 -14.650 1.00 93.00 N +ATOM 144 CA PRO A 23 2.672 -3.241 -15.824 1.00 92.69 C +ATOM 145 C PRO A 23 4.005 -3.069 -16.529 1.00 91.92 C +ATOM 146 O PRO A 23 4.688 -2.068 -16.368 1.00 89.84 O +ATOM 147 CB PRO A 23 1.510 -2.778 -16.684 1.00 90.12 C +ATOM 148 CG PRO A 23 1.323 -1.360 -16.293 1.00 88.08 C +ATOM 149 CD PRO A 23 1.615 -1.322 -14.823 1.00 90.42 C +HETATM 150 N HYP A 24 4.382 -3.957 -17.324 1.00 91.89 N +HETATM 151 CA HYP A 24 5.666 -3.865 -18.039 1.00 85.52 C +HETATM 152 C HYP A 24 5.971 -2.513 -18.509 1.00 88.08 C +HETATM 153 O HYP A 24 5.248 -2.009 -19.377 1.00 84.45 O +HETATM 154 CB HYP A 24 5.581 -4.957 -19.069 1.00 87.26 C +HETATM 155 CG HYP A 24 4.531 -5.907 -18.606 1.00 86.78 C +HETATM 156 CD HYP A 24 3.570 -5.058 -17.804 1.00 90.55 C +HETATM 157 OD1 HYP A 24 5.092 -6.856 -17.712 1.00 86.06 O +HETATM 158 OXT HYP A 24 6.947 -1.944 -17.928 1.00 84.03 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_75.txt b/protein_pdb_75.txt new file mode 100644 index 0000000000000000000000000000000000000000..3e77390643d1cc430c95e1a39dae5cbf00b40aa6 --- /dev/null +++ b/protein_pdb_75.txt @@ -0,0 +1,160 @@ +ATOM 1 N GLY A 1 -25.728 22.899 3.787 1.00 93.50 N +ATOM 2 CA GLY A 1 -24.485 23.467 3.273 1.00 95.22 C +ATOM 3 C GLY A 1 -23.947 22.681 2.105 1.00 95.41 C +ATOM 4 O GLY A 1 -24.442 21.589 1.807 1.00 94.12 O +ATOM 5 N PRO A 2 -22.931 23.184 1.419 1.00 95.30 N +ATOM 6 CA PRO A 2 -22.346 22.485 0.276 1.00 96.18 C +ATOM 7 C PRO A 2 -21.574 21.241 0.710 1.00 96.24 C +ATOM 8 O PRO A 2 -21.181 21.121 1.869 1.00 95.56 O +ATOM 9 CB PRO A 2 -21.424 23.528 -0.353 1.00 95.42 C +ATOM 10 CG PRO A 2 -21.009 24.359 0.810 1.00 92.79 C +ATOM 11 CD PRO A 2 -22.251 24.452 1.669 1.00 94.23 C +HETATM 12 N HYP A 3 -21.421 20.382 -0.160 1.00 95.58 N +HETATM 13 CA HYP A 3 -20.580 19.137 0.065 1.00 94.08 C +HETATM 14 C HYP A 3 -19.154 19.486 0.468 1.00 94.77 C +HETATM 15 O HYP A 3 -18.590 20.491 0.003 1.00 95.78 O +HETATM 16 CB HYP A 3 -20.648 18.430 -1.277 1.00 94.12 C +HETATM 17 CG HYP A 3 -21.936 18.945 -1.955 1.00 93.25 C +HETATM 18 CD HYP A 3 -21.967 20.414 -1.506 1.00 95.13 C +HETATM 19 OD1 HYP A 3 -23.091 18.292 -1.502 1.00 94.38 O +ATOM 20 N GLY A 4 -18.567 18.666 1.346 1.00 96.12 N +ATOM 21 CA GLY A 4 -17.210 18.881 1.783 1.00 95.78 C +ATOM 22 C GLY A 4 -16.217 18.523 0.687 1.00 95.80 C +ATOM 23 O GLY A 4 -16.589 17.950 -0.341 1.00 95.87 O +ATOM 24 N PRO A 5 -14.931 18.839 0.904 1.00 96.91 N +ATOM 25 CA PRO A 5 -13.905 18.533 -0.086 1.00 96.88 C +ATOM 26 C PRO A 5 -13.637 17.031 -0.161 1.00 96.93 C +ATOM 27 O PRO A 5 -13.958 16.294 0.769 1.00 96.59 O +ATOM 28 CB PRO A 5 -12.688 19.300 0.411 1.00 96.16 C +ATOM 29 CG PRO A 5 -12.882 19.318 1.893 1.00 94.40 C +ATOM 30 CD PRO A 5 -14.367 19.494 2.077 1.00 95.81 C +HETATM 31 N HYP A 6 -13.072 16.619 -1.262 1.00 94.75 N +HETATM 32 CA HYP A 6 -12.627 15.184 -1.370 1.00 95.19 C +HETATM 33 C HYP A 6 -11.681 14.777 -0.301 1.00 94.79 C +HETATM 34 O HYP A 6 -10.867 15.622 0.160 1.00 94.78 O +HETATM 35 CB HYP A 6 -12.006 15.169 -2.780 1.00 91.60 C +HETATM 36 CG HYP A 6 -12.684 16.298 -3.567 1.00 91.63 C +HETATM 37 CD HYP A 6 -12.851 17.362 -2.479 1.00 93.00 C +HETATM 38 OD1 HYP A 6 -13.945 15.905 -4.062 1.00 92.54 O +ATOM 39 N GLY A 7 -11.764 13.508 0.171 1.00 96.21 N +ATOM 40 CA GLY A 7 -10.894 12.996 1.199 1.00 95.59 C +ATOM 41 C GLY A 7 -9.472 12.824 0.705 1.00 95.72 C +ATOM 42 O GLY A 7 -9.201 12.968 -0.494 1.00 95.80 O +ATOM 43 N PRO A 8 -8.543 12.509 1.620 1.00 95.82 N +ATOM 44 CA PRO A 8 -7.147 12.323 1.242 1.00 95.76 C +ATOM 45 C PRO A 8 -6.949 11.032 0.460 1.00 95.64 C +ATOM 46 O PRO A 8 -7.789 10.135 0.499 1.00 95.34 O +ATOM 47 CB PRO A 8 -6.421 12.282 2.584 1.00 95.12 C +ATOM 48 CG PRO A 8 -7.450 11.701 3.500 1.00 94.31 C +ATOM 49 CD PRO A 8 -8.756 12.316 3.038 1.00 95.52 C +HETATM 50 N HYP A 9 -5.868 10.909 -0.230 1.00 93.37 N +HETATM 51 CA HYP A 9 -5.496 9.701 -0.956 1.00 93.68 C +HETATM 52 C HYP A 9 -5.394 8.504 -0.055 1.00 92.27 C +HETATM 53 O HYP A 9 -4.947 8.645 1.121 1.00 92.42 O +HETATM 54 CB HYP A 9 -4.107 10.068 -1.561 1.00 91.05 C +HETATM 55 CG HYP A 9 -4.116 11.565 -1.631 1.00 91.49 C +HETATM 56 CD HYP A 9 -4.921 11.958 -0.412 1.00 92.53 C +HETATM 57 OD1 HYP A 9 -4.773 11.982 -2.801 1.00 88.32 O +ATOM 58 N GLY A 10 -5.733 7.323 -0.562 1.00 93.81 N +ATOM 59 CA GLY A 10 -5.637 6.109 0.208 1.00 92.38 C +ATOM 60 C GLY A 10 -4.189 5.796 0.551 1.00 92.01 C +ATOM 61 O GLY A 10 -3.251 6.277 -0.091 1.00 91.00 O +ATOM 62 N LYS A 11 -3.994 4.950 1.585 1.00 92.97 N +ATOM 63 CA LYS A 11 -2.651 4.559 2.010 1.00 92.34 C +ATOM 64 C LYS A 11 -2.025 3.603 0.990 1.00 91.74 C +ATOM 65 O LYS A 11 -2.711 2.810 0.351 1.00 89.70 O +ATOM 66 CB LYS A 11 -2.699 3.882 3.379 1.00 89.74 C +ATOM 67 CG LYS A 11 -3.146 4.805 4.505 1.00 85.18 C +ATOM 68 CD LYS A 11 -3.177 4.080 5.828 1.00 80.93 C +ATOM 69 CE LYS A 11 -3.633 5.003 6.953 1.00 76.49 C +ATOM 70 NZ LYS A 11 -3.672 4.292 8.248 1.00 70.80 N +ATOM 71 N ARG A 12 -0.709 3.683 0.859 1.00 93.80 N +ATOM 72 CA ARG A 12 0.024 2.781 -0.024 1.00 94.15 C +ATOM 73 C ARG A 12 -0.061 1.366 0.543 1.00 95.02 C +ATOM 74 O ARG A 12 -0.044 1.176 1.762 1.00 93.05 O +ATOM 75 CB ARG A 12 1.488 3.230 -0.137 1.00 91.36 C +ATOM 76 CG ARG A 12 2.313 2.404 -1.109 1.00 84.49 C +ATOM 77 CD ARG A 12 3.741 2.918 -1.210 1.00 81.72 C +ATOM 78 NE ARG A 12 3.810 4.233 -1.843 1.00 76.87 N +ATOM 79 CZ ARG A 12 3.789 4.462 -3.145 1.00 74.39 C +ATOM 80 NH1 ARG A 12 3.721 3.457 -4.013 1.00 71.14 N +ATOM 81 NH2 ARG A 12 3.846 5.701 -3.603 1.00 67.24 N +ATOM 82 N GLY A 13 -0.158 0.398 -0.362 1.00 93.12 N +ATOM 83 CA GLY A 13 -0.221 -0.991 0.058 1.00 91.74 C +ATOM 84 C GLY A 13 1.064 -1.450 0.717 1.00 92.73 C +ATOM 85 O GLY A 13 2.090 -0.762 0.648 1.00 93.03 O +ATOM 86 N PRO A 14 1.042 -2.627 1.377 1.00 93.32 N +ATOM 87 CA PRO A 14 2.229 -3.140 2.051 1.00 93.57 C +ATOM 88 C PRO A 14 3.287 -3.594 1.053 1.00 93.71 C +ATOM 89 O PRO A 14 2.986 -3.855 -0.103 1.00 93.57 O +ATOM 90 CB PRO A 14 1.692 -4.321 2.866 1.00 92.48 C +ATOM 91 CG PRO A 14 0.527 -4.799 2.064 1.00 91.16 C +ATOM 92 CD PRO A 14 -0.100 -3.525 1.532 1.00 92.29 C +HETATM 93 N HYP A 15 4.541 -3.715 1.515 1.00 88.89 N +HETATM 94 CA HYP A 15 5.630 -4.202 0.706 1.00 87.47 C +HETATM 95 C HYP A 15 5.363 -5.637 0.201 1.00 90.28 C +HETATM 96 O HYP A 15 4.646 -6.399 0.895 1.00 88.43 O +HETATM 97 CB HYP A 15 6.795 -4.162 1.708 1.00 88.58 C +HETATM 98 CG HYP A 15 6.400 -3.089 2.708 1.00 85.39 C +HETATM 99 CD HYP A 15 4.913 -3.258 2.814 1.00 89.56 C +HETATM 100 OD1 HYP A 15 6.698 -1.805 2.202 1.00 89.16 O +ATOM 101 N GLY A 16 5.866 -5.969 -0.927 1.00 94.90 N +ATOM 102 CA GLY A 16 5.734 -7.310 -1.427 1.00 94.15 C +ATOM 103 C GLY A 16 6.560 -8.277 -0.591 1.00 94.41 C +ATOM 104 O GLY A 16 7.329 -7.860 0.280 1.00 95.19 O +ATOM 105 N PRO A 17 6.407 -9.593 -0.845 1.00 91.24 N +ATOM 106 CA PRO A 17 7.155 -10.588 -0.082 1.00 91.79 C +ATOM 107 C PRO A 17 8.639 -10.535 -0.403 1.00 91.93 C +ATOM 108 O PRO A 17 9.036 -10.053 -1.457 1.00 92.59 O +ATOM 109 CB PRO A 17 6.522 -11.908 -0.515 1.00 90.51 C +ATOM 110 CG PRO A 17 6.050 -11.629 -1.899 1.00 87.67 C +ATOM 111 CD PRO A 17 5.550 -10.207 -1.852 1.00 88.84 C +HETATM 112 N HYP A 18 9.482 -11.061 0.497 1.00 88.97 N +HETATM 113 CA HYP A 18 10.896 -11.132 0.250 1.00 94.78 C +HETATM 114 C HYP A 18 11.253 -11.945 -0.983 1.00 91.16 C +HETATM 115 O HYP A 18 10.543 -12.942 -1.292 1.00 92.48 O +HETATM 116 CB HYP A 18 11.425 -11.812 1.521 1.00 90.45 C +HETATM 117 CG HYP A 18 10.407 -11.501 2.599 1.00 89.25 C +HETATM 118 CD HYP A 18 9.099 -11.506 1.817 1.00 92.22 C +HETATM 119 OD1 HYP A 18 10.612 -10.234 3.167 1.00 92.78 O +ATOM 120 N GLY A 19 12.262 -11.519 -1.728 1.00 94.72 N +ATOM 121 CA GLY A 19 12.707 -12.236 -2.894 1.00 94.15 C +ATOM 122 C GLY A 19 13.344 -13.556 -2.494 1.00 94.31 C +ATOM 123 O GLY A 19 13.608 -13.800 -1.314 1.00 94.36 O +ATOM 124 N PRO A 20 13.615 -14.425 -3.468 1.00 94.20 N +ATOM 125 CA PRO A 20 14.215 -15.719 -3.169 1.00 93.86 C +ATOM 126 C PRO A 20 15.677 -15.566 -2.772 1.00 93.62 C +ATOM 127 O PRO A 20 16.317 -14.571 -3.093 1.00 93.05 O +ATOM 128 CB PRO A 20 14.062 -16.481 -4.486 1.00 92.02 C +ATOM 129 CG PRO A 20 14.108 -15.399 -5.511 1.00 88.97 C +ATOM 130 CD PRO A 20 13.348 -14.251 -4.887 1.00 91.03 C +HETATM 131 N HYP A 21 16.229 -16.554 -2.052 1.00 94.46 N +HETATM 132 CA HYP A 21 17.632 -16.570 -1.720 1.00 92.69 C +HETATM 133 C HYP A 21 18.548 -16.553 -2.941 1.00 92.47 C +HETATM 134 O HYP A 21 18.159 -17.084 -3.974 1.00 95.58 O +HETATM 135 CB HYP A 21 17.790 -17.932 -0.964 1.00 92.06 C +HETATM 136 CG HYP A 21 16.409 -18.226 -0.391 1.00 89.80 C +HETATM 137 CD HYP A 21 15.494 -17.681 -1.450 1.00 92.53 C +HETATM 138 OD1 HYP A 21 16.185 -17.517 0.820 1.00 92.90 O +ATOM 139 N GLY A 22 19.694 -15.906 -2.870 1.00 95.04 N +ATOM 140 CA GLY A 22 20.631 -15.858 -3.954 1.00 94.77 C +ATOM 141 C GLY A 22 21.168 -17.242 -4.280 1.00 95.12 C +ATOM 142 O GLY A 22 20.945 -18.193 -3.522 1.00 94.49 O +ATOM 143 N PRO A 23 21.900 -17.382 -5.385 1.00 95.70 N +ATOM 144 CA PRO A 23 22.437 -18.688 -5.769 1.00 95.79 C +ATOM 145 C PRO A 23 23.527 -19.128 -4.807 1.00 95.32 C +ATOM 146 O PRO A 23 24.213 -18.305 -4.208 1.00 93.79 O +ATOM 147 CB PRO A 23 22.971 -18.452 -7.176 1.00 94.29 C +ATOM 148 CG PRO A 23 23.330 -17.005 -7.179 1.00 91.40 C +ATOM 149 CD PRO A 23 22.247 -16.354 -6.350 1.00 93.80 C +HETATM 150 N HYP A 24 23.774 -20.427 -4.659 1.00 95.09 N +HETATM 151 CA HYP A 24 24.842 -20.878 -3.793 1.00 93.22 C +HETATM 152 C HYP A 24 26.170 -20.288 -4.092 1.00 91.38 C +HETATM 153 O HYP A 24 26.412 -20.007 -5.274 1.00 94.05 O +HETATM 154 CB HYP A 24 24.837 -22.435 -3.956 1.00 93.89 C +HETATM 155 CG HYP A 24 23.489 -22.789 -4.442 1.00 92.17 C +HETATM 156 CD HYP A 24 23.073 -21.569 -5.275 1.00 94.38 C +HETATM 157 OD1 HYP A 24 22.602 -22.936 -3.351 1.00 90.62 O +HETATM 158 OXT HYP A 24 26.975 -20.154 -3.132 1.00 91.30 O +TER 159 HYP A 24 +END diff --git a/protein_pdb_76.txt b/protein_pdb_76.txt new file mode 100644 index 0000000000000000000000000000000000000000..59c0f8843fc3ada0761f08f99c434e82324fda51 --- /dev/null +++ b/protein_pdb_76.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -0.089 -4.915 7.925 1.00 69.51 N +ATOM 2 CA GLY A 1 -0.150 -3.462 7.977 1.00 73.54 C +ATOM 3 C GLY A 1 -1.180 -2.917 7.022 1.00 75.73 C +ATOM 4 O GLY A 1 -1.832 -3.677 6.307 1.00 72.09 O +ATOM 5 N PRO A 2 -1.338 -1.603 6.984 1.00 70.81 N +ATOM 6 CA PRO A 2 -2.345 -0.991 6.130 1.00 73.99 C +ATOM 7 C PRO A 2 -1.968 -1.051 4.659 1.00 74.33 C +ATOM 8 O PRO A 2 -0.804 -1.165 4.308 1.00 71.73 O +ATOM 9 CB PRO A 2 -2.393 0.452 6.621 1.00 70.49 C +ATOM 10 CG PRO A 2 -1.035 0.694 7.163 1.00 66.40 C +ATOM 11 CD PRO A 2 -0.599 -0.611 7.758 1.00 66.64 C +HETATM 12 N HYP A 3 -2.931 -0.976 3.815 1.00 74.67 N +HETATM 13 CA HYP A 3 -2.751 -0.892 2.388 1.00 74.95 C +HETATM 14 C HYP A 3 -1.969 0.321 1.961 1.00 75.75 C +HETATM 15 O HYP A 3 -2.009 1.383 2.658 1.00 79.23 O +HETATM 16 CB HYP A 3 -4.223 -0.841 1.885 1.00 76.24 C +HETATM 17 CG HYP A 3 -4.998 -1.565 2.961 1.00 74.36 C +HETATM 18 CD HYP A 3 -4.314 -1.078 4.218 1.00 76.48 C +HETATM 19 OD1 HYP A 3 -4.847 -2.959 2.837 1.00 77.76 O +ATOM 20 N GLY A 4 -1.216 0.224 0.945 1.00 80.30 N +ATOM 21 CA GLY A 4 -0.469 1.338 0.433 1.00 77.55 C +ATOM 22 C GLY A 4 -1.372 2.392 -0.181 1.00 76.14 C +ATOM 23 O GLY A 4 -2.590 2.231 -0.255 1.00 73.25 O +ATOM 24 N PRO A 5 -0.773 3.480 -0.639 1.00 77.30 N +ATOM 25 CA PRO A 5 -1.536 4.571 -1.218 1.00 74.98 C +ATOM 26 C PRO A 5 -2.038 4.240 -2.615 1.00 74.11 C +ATOM 27 O PRO A 5 -1.564 3.310 -3.258 1.00 71.13 O +ATOM 28 CB PRO A 5 -0.530 5.710 -1.250 1.00 71.44 C +ATOM 29 CG PRO A 5 0.777 5.022 -1.413 1.00 70.03 C +ATOM 30 CD PRO A 5 0.663 3.757 -0.614 1.00 71.88 C +HETATM 31 N HYP A 6 -2.985 5.011 -3.094 1.00 74.69 N +HETATM 32 CA HYP A 6 -3.462 4.928 -4.451 1.00 77.65 C +HETATM 33 C HYP A 6 -2.391 5.156 -5.472 1.00 75.46 C +HETATM 34 O HYP A 6 -1.372 5.774 -5.144 1.00 77.13 O +HETATM 35 CB HYP A 6 -4.599 5.942 -4.454 1.00 72.50 C +HETATM 36 CG HYP A 6 -5.121 5.950 -3.026 1.00 71.36 C +HETATM 37 CD HYP A 6 -3.844 5.856 -2.248 1.00 76.21 C +HETATM 38 OD1 HYP A 6 -5.933 4.824 -2.752 1.00 71.25 O +ATOM 39 N GLY A 7 -2.557 4.695 -6.651 1.00 73.91 N +ATOM 40 CA GLY A 7 -1.589 4.844 -7.702 1.00 72.56 C +ATOM 41 C GLY A 7 -1.346 6.291 -8.084 1.00 73.22 C +ATOM 42 O GLY A 7 -1.942 7.210 -7.523 1.00 71.34 O +ATOM 43 N PRO A 8 -0.470 6.499 -9.069 1.00 72.52 N +ATOM 44 CA PRO A 8 -0.092 7.845 -9.474 1.00 73.96 C +ATOM 45 C PRO A 8 -1.213 8.582 -10.185 1.00 73.81 C +ATOM 46 O PRO A 8 -2.158 7.985 -10.696 1.00 71.78 O +ATOM 47 CB PRO A 8 1.100 7.611 -10.397 1.00 71.21 C +ATOM 48 CG PRO A 8 0.855 6.262 -10.961 1.00 70.69 C +ATOM 49 CD PRO A 8 0.211 5.478 -9.847 1.00 71.91 C +HETATM 50 N HYP A 9 -1.070 9.891 -10.244 1.00 74.07 N +HETATM 51 CA HYP A 9 -1.958 10.734 -10.948 1.00 77.49 C +HETATM 52 C HYP A 9 -2.171 10.343 -12.353 1.00 77.15 C +HETATM 53 O HYP A 9 -1.266 9.751 -12.950 1.00 77.18 O +HETATM 54 CB HYP A 9 -1.470 12.111 -10.761 1.00 76.66 C +HETATM 55 CG HYP A 9 -0.696 12.042 -9.478 1.00 73.15 C +HETATM 56 CD HYP A 9 -0.121 10.660 -9.502 1.00 76.15 C +HETATM 57 OD1 HYP A 9 -1.542 12.133 -8.355 1.00 72.18 O +ATOM 58 N GLY A 10 -3.215 10.698 -12.975 1.00 75.33 N +ATOM 59 CA GLY A 10 -3.509 10.420 -14.355 1.00 74.43 C +ATOM 60 C GLY A 10 -3.949 8.998 -14.608 1.00 73.75 C +ATOM 61 O GLY A 10 -4.322 8.671 -15.731 1.00 71.79 O +ATOM 62 N LEU A 11 -3.932 8.162 -13.621 1.00 72.59 N +ATOM 63 CA LEU A 11 -4.305 6.770 -13.748 1.00 73.96 C +ATOM 64 C LEU A 11 -4.744 6.277 -12.381 1.00 72.83 C +ATOM 65 O LEU A 11 -3.927 6.177 -11.476 1.00 69.57 O +ATOM 66 CB LEU A 11 -3.115 5.951 -14.252 1.00 69.76 C +ATOM 67 CG LEU A 11 -3.367 4.463 -14.460 1.00 64.15 C +ATOM 68 CD1 LEU A 11 -4.329 4.225 -15.586 1.00 62.74 C +ATOM 69 CD2 LEU A 11 -2.052 3.727 -14.703 1.00 60.88 C +HETATM 70 N HYP A 12 -6.055 5.907 -12.239 1.00 74.08 N +HETATM 71 CA HYP A 12 -6.434 5.493 -10.930 1.00 74.71 C +HETATM 72 C HYP A 12 -5.740 4.193 -10.571 1.00 77.88 C +HETATM 73 O HYP A 12 -6.046 3.140 -11.211 1.00 77.93 O +HETATM 74 CB HYP A 12 -7.926 5.303 -10.882 1.00 73.08 C +HETATM 75 CG HYP A 12 -8.383 6.042 -12.099 1.00 70.19 C +HETATM 76 CD HYP A 12 -7.263 5.904 -13.091 1.00 74.64 C +HETATM 77 OD1 HYP A 12 -8.547 7.420 -11.811 1.00 73.11 O +ATOM 78 N GLY A 13 -4.810 4.269 -9.742 1.00 77.81 N +ATOM 79 CA GLY A 13 -4.111 3.075 -9.350 1.00 76.19 C +ATOM 80 C GLY A 13 -4.836 2.361 -8.230 1.00 76.84 C +ATOM 81 O GLY A 13 -5.626 2.958 -7.499 1.00 75.25 O +ATOM 82 N PRO A 14 -4.564 1.073 -8.092 1.00 74.93 N +ATOM 83 CA PRO A 14 -5.135 0.332 -6.983 1.00 74.57 C +ATOM 84 C PRO A 14 -4.422 0.706 -5.693 1.00 74.81 C +ATOM 85 O PRO A 14 -3.329 1.261 -5.710 1.00 71.98 O +ATOM 86 CB PRO A 14 -4.865 -1.118 -7.355 1.00 71.23 C +ATOM 87 CG PRO A 14 -3.600 -1.047 -8.135 1.00 70.18 C +ATOM 88 CD PRO A 14 -3.680 0.241 -8.905 1.00 70.11 C +HETATM 89 N HYP A 15 -5.044 0.397 -4.617 1.00 72.47 N +HETATM 90 CA HYP A 15 -4.366 0.560 -3.360 1.00 76.96 C +HETATM 91 C HYP A 15 -3.101 -0.240 -3.331 1.00 79.68 C +HETATM 92 O HYP A 15 -3.037 -1.303 -4.007 1.00 75.75 O +HETATM 93 CB HYP A 15 -5.431 0.098 -2.373 1.00 76.43 C +HETATM 94 CG HYP A 15 -6.734 0.438 -3.086 1.00 73.51 C +HETATM 95 CD HYP A 15 -6.437 0.036 -4.510 1.00 77.08 C +HETATM 96 OD1 HYP A 15 -7.008 1.813 -3.018 1.00 74.82 O +ATOM 97 N GLY A 16 -2.145 0.229 -2.672 1.00 73.53 N +ATOM 98 CA GLY A 16 -0.918 -0.507 -2.550 1.00 71.65 C +ATOM 99 C GLY A 16 -1.111 -1.786 -1.759 1.00 73.44 C +ATOM 100 O GLY A 16 -2.183 -2.042 -1.209 1.00 72.87 O +ATOM 101 N PRO A 17 -0.069 -2.584 -1.708 1.00 70.31 N +ATOM 102 CA PRO A 17 -0.152 -3.833 -0.966 1.00 71.25 C +ATOM 103 C PRO A 17 -0.216 -3.577 0.528 1.00 70.53 C +ATOM 104 O PRO A 17 0.152 -2.512 1.007 1.00 68.39 O +ATOM 105 CB PRO A 17 1.132 -4.555 -1.354 1.00 68.72 C +ATOM 106 CG PRO A 17 2.077 -3.462 -1.674 1.00 67.25 C +ATOM 107 CD PRO A 17 1.245 -2.384 -2.302 1.00 67.04 C +HETATM 108 N HYP A 18 -0.656 -4.540 1.244 1.00 71.39 N +HETATM 109 CA HYP A 18 -0.663 -4.453 2.667 1.00 76.76 C +HETATM 110 C HYP A 18 0.707 -4.186 3.195 1.00 71.57 C +HETATM 111 O HYP A 18 1.708 -4.611 2.592 1.00 77.21 O +HETATM 112 CB HYP A 18 -1.230 -5.801 3.079 1.00 73.54 C +HETATM 113 CG HYP A 18 -2.108 -6.220 1.925 1.00 71.08 C +HETATM 114 CD HYP A 18 -1.304 -5.748 0.742 1.00 77.88 C +HETATM 115 OD1 HYP A 18 -3.349 -5.522 1.947 1.00 76.76 O +ATOM 116 N GLY A 19 0.790 -3.444 4.252 1.00 74.44 N +ATOM 117 CA GLY A 19 2.049 -3.198 4.894 1.00 72.07 C +ATOM 118 C GLY A 19 2.643 -4.471 5.466 1.00 72.94 C +ATOM 119 O GLY A 19 2.037 -5.542 5.407 1.00 72.02 O +ATOM 120 N PRO A 20 3.828 -4.343 6.021 1.00 71.20 N +ATOM 121 CA PRO A 20 4.489 -5.518 6.567 1.00 71.97 C +ATOM 122 C PRO A 20 3.767 -6.052 7.791 1.00 70.64 C +ATOM 123 O PRO A 20 3.000 -5.338 8.436 1.00 69.42 O +ATOM 124 CB PRO A 20 5.882 -5.004 6.920 1.00 68.82 C +ATOM 125 CG PRO A 20 5.694 -3.551 7.134 1.00 66.88 C +ATOM 126 CD PRO A 20 4.614 -3.133 6.180 1.00 66.70 C +HETATM 127 N HYP A 21 4.007 -7.275 8.131 1.00 75.16 N +HETATM 128 CA HYP A 21 3.446 -7.879 9.280 1.00 75.19 C +HETATM 129 C HYP A 21 3.837 -7.152 10.556 1.00 71.85 C +HETATM 130 O HYP A 21 4.925 -6.551 10.614 1.00 77.59 O +HETATM 131 CB HYP A 21 4.032 -9.278 9.250 1.00 75.33 C +HETATM 132 CG HYP A 21 4.307 -9.547 7.795 1.00 71.60 C +HETATM 133 CD HYP A 21 4.746 -8.205 7.287 1.00 77.90 C +HETATM 134 OD1 HYP A 21 3.121 -9.921 7.104 1.00 77.31 O +ATOM 135 N GLY A 22 2.959 -7.083 11.497 1.00 70.44 N +ATOM 136 CA GLY A 22 3.241 -6.471 12.769 1.00 68.15 C +ATOM 137 C GLY A 22 4.260 -7.277 13.565 1.00 66.84 C +ATOM 138 O GLY A 22 4.757 -8.301 13.110 1.00 65.24 O +ATOM 139 N PRO A 23 4.551 -6.807 14.764 1.00 69.10 N +ATOM 140 CA PRO A 23 5.513 -7.510 15.607 1.00 71.85 C +ATOM 141 C PRO A 23 5.028 -8.899 15.961 1.00 71.10 C +ATOM 142 O PRO A 23 3.829 -9.146 16.046 1.00 68.14 O +ATOM 143 CB PRO A 23 5.587 -6.643 16.862 1.00 66.03 C +ATOM 144 CG PRO A 23 5.064 -5.327 16.446 1.00 61.24 C +ATOM 145 CD PRO A 23 4.041 -5.608 15.400 1.00 63.47 C +HETATM 146 N HYP A 24 5.882 -9.783 16.257 1.00 76.07 N +HETATM 147 CA HYP A 24 5.474 -11.128 16.630 1.00 70.23 C +HETATM 148 C HYP A 24 4.617 -11.113 17.877 1.00 65.35 C +HETATM 149 O HYP A 24 4.572 -10.054 18.513 1.00 72.50 O +HETATM 150 CB HYP A 24 6.849 -11.784 16.949 1.00 69.40 C +HETATM 151 CG HYP A 24 7.884 -10.952 16.259 1.00 70.83 C +HETATM 152 CD HYP A 24 7.307 -9.545 16.281 1.00 74.70 C +HETATM 153 OD1 HYP A 24 8.003 -11.364 14.906 1.00 75.28 O +HETATM 154 OXT HYP A 24 4.043 -12.194 18.219 1.00 72.77 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_77.txt b/protein_pdb_77.txt new file mode 100644 index 0000000000000000000000000000000000000000..59c0f8843fc3ada0761f08f99c434e82324fda51 --- /dev/null +++ b/protein_pdb_77.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -0.089 -4.915 7.925 1.00 69.51 N +ATOM 2 CA GLY A 1 -0.150 -3.462 7.977 1.00 73.54 C +ATOM 3 C GLY A 1 -1.180 -2.917 7.022 1.00 75.73 C +ATOM 4 O GLY A 1 -1.832 -3.677 6.307 1.00 72.09 O +ATOM 5 N PRO A 2 -1.338 -1.603 6.984 1.00 70.81 N +ATOM 6 CA PRO A 2 -2.345 -0.991 6.130 1.00 73.99 C +ATOM 7 C PRO A 2 -1.968 -1.051 4.659 1.00 74.33 C +ATOM 8 O PRO A 2 -0.804 -1.165 4.308 1.00 71.73 O +ATOM 9 CB PRO A 2 -2.393 0.452 6.621 1.00 70.49 C +ATOM 10 CG PRO A 2 -1.035 0.694 7.163 1.00 66.40 C +ATOM 11 CD PRO A 2 -0.599 -0.611 7.758 1.00 66.64 C +HETATM 12 N HYP A 3 -2.931 -0.976 3.815 1.00 74.67 N +HETATM 13 CA HYP A 3 -2.751 -0.892 2.388 1.00 74.95 C +HETATM 14 C HYP A 3 -1.969 0.321 1.961 1.00 75.75 C +HETATM 15 O HYP A 3 -2.009 1.383 2.658 1.00 79.23 O +HETATM 16 CB HYP A 3 -4.223 -0.841 1.885 1.00 76.24 C +HETATM 17 CG HYP A 3 -4.998 -1.565 2.961 1.00 74.36 C +HETATM 18 CD HYP A 3 -4.314 -1.078 4.218 1.00 76.48 C +HETATM 19 OD1 HYP A 3 -4.847 -2.959 2.837 1.00 77.76 O +ATOM 20 N GLY A 4 -1.216 0.224 0.945 1.00 80.30 N +ATOM 21 CA GLY A 4 -0.469 1.338 0.433 1.00 77.55 C +ATOM 22 C GLY A 4 -1.372 2.392 -0.181 1.00 76.14 C +ATOM 23 O GLY A 4 -2.590 2.231 -0.255 1.00 73.25 O +ATOM 24 N PRO A 5 -0.773 3.480 -0.639 1.00 77.30 N +ATOM 25 CA PRO A 5 -1.536 4.571 -1.218 1.00 74.98 C +ATOM 26 C PRO A 5 -2.038 4.240 -2.615 1.00 74.11 C +ATOM 27 O PRO A 5 -1.564 3.310 -3.258 1.00 71.13 O +ATOM 28 CB PRO A 5 -0.530 5.710 -1.250 1.00 71.44 C +ATOM 29 CG PRO A 5 0.777 5.022 -1.413 1.00 70.03 C +ATOM 30 CD PRO A 5 0.663 3.757 -0.614 1.00 71.88 C +HETATM 31 N HYP A 6 -2.985 5.011 -3.094 1.00 74.69 N +HETATM 32 CA HYP A 6 -3.462 4.928 -4.451 1.00 77.65 C +HETATM 33 C HYP A 6 -2.391 5.156 -5.472 1.00 75.46 C +HETATM 34 O HYP A 6 -1.372 5.774 -5.144 1.00 77.13 O +HETATM 35 CB HYP A 6 -4.599 5.942 -4.454 1.00 72.50 C +HETATM 36 CG HYP A 6 -5.121 5.950 -3.026 1.00 71.36 C +HETATM 37 CD HYP A 6 -3.844 5.856 -2.248 1.00 76.21 C +HETATM 38 OD1 HYP A 6 -5.933 4.824 -2.752 1.00 71.25 O +ATOM 39 N GLY A 7 -2.557 4.695 -6.651 1.00 73.91 N +ATOM 40 CA GLY A 7 -1.589 4.844 -7.702 1.00 72.56 C +ATOM 41 C GLY A 7 -1.346 6.291 -8.084 1.00 73.22 C +ATOM 42 O GLY A 7 -1.942 7.210 -7.523 1.00 71.34 O +ATOM 43 N PRO A 8 -0.470 6.499 -9.069 1.00 72.52 N +ATOM 44 CA PRO A 8 -0.092 7.845 -9.474 1.00 73.96 C +ATOM 45 C PRO A 8 -1.213 8.582 -10.185 1.00 73.81 C +ATOM 46 O PRO A 8 -2.158 7.985 -10.696 1.00 71.78 O +ATOM 47 CB PRO A 8 1.100 7.611 -10.397 1.00 71.21 C +ATOM 48 CG PRO A 8 0.855 6.262 -10.961 1.00 70.69 C +ATOM 49 CD PRO A 8 0.211 5.478 -9.847 1.00 71.91 C +HETATM 50 N HYP A 9 -1.070 9.891 -10.244 1.00 74.07 N +HETATM 51 CA HYP A 9 -1.958 10.734 -10.948 1.00 77.49 C +HETATM 52 C HYP A 9 -2.171 10.343 -12.353 1.00 77.15 C +HETATM 53 O HYP A 9 -1.266 9.751 -12.950 1.00 77.18 O +HETATM 54 CB HYP A 9 -1.470 12.111 -10.761 1.00 76.66 C +HETATM 55 CG HYP A 9 -0.696 12.042 -9.478 1.00 73.15 C +HETATM 56 CD HYP A 9 -0.121 10.660 -9.502 1.00 76.15 C +HETATM 57 OD1 HYP A 9 -1.542 12.133 -8.355 1.00 72.18 O +ATOM 58 N GLY A 10 -3.215 10.698 -12.975 1.00 75.33 N +ATOM 59 CA GLY A 10 -3.509 10.420 -14.355 1.00 74.43 C +ATOM 60 C GLY A 10 -3.949 8.998 -14.608 1.00 73.75 C +ATOM 61 O GLY A 10 -4.322 8.671 -15.731 1.00 71.79 O +ATOM 62 N LEU A 11 -3.932 8.162 -13.621 1.00 72.59 N +ATOM 63 CA LEU A 11 -4.305 6.770 -13.748 1.00 73.96 C +ATOM 64 C LEU A 11 -4.744 6.277 -12.381 1.00 72.83 C +ATOM 65 O LEU A 11 -3.927 6.177 -11.476 1.00 69.57 O +ATOM 66 CB LEU A 11 -3.115 5.951 -14.252 1.00 69.76 C +ATOM 67 CG LEU A 11 -3.367 4.463 -14.460 1.00 64.15 C +ATOM 68 CD1 LEU A 11 -4.329 4.225 -15.586 1.00 62.74 C +ATOM 69 CD2 LEU A 11 -2.052 3.727 -14.703 1.00 60.88 C +HETATM 70 N HYP A 12 -6.055 5.907 -12.239 1.00 74.08 N +HETATM 71 CA HYP A 12 -6.434 5.493 -10.930 1.00 74.71 C +HETATM 72 C HYP A 12 -5.740 4.193 -10.571 1.00 77.88 C +HETATM 73 O HYP A 12 -6.046 3.140 -11.211 1.00 77.93 O +HETATM 74 CB HYP A 12 -7.926 5.303 -10.882 1.00 73.08 C +HETATM 75 CG HYP A 12 -8.383 6.042 -12.099 1.00 70.19 C +HETATM 76 CD HYP A 12 -7.263 5.904 -13.091 1.00 74.64 C +HETATM 77 OD1 HYP A 12 -8.547 7.420 -11.811 1.00 73.11 O +ATOM 78 N GLY A 13 -4.810 4.269 -9.742 1.00 77.81 N +ATOM 79 CA GLY A 13 -4.111 3.075 -9.350 1.00 76.19 C +ATOM 80 C GLY A 13 -4.836 2.361 -8.230 1.00 76.84 C +ATOM 81 O GLY A 13 -5.626 2.958 -7.499 1.00 75.25 O +ATOM 82 N PRO A 14 -4.564 1.073 -8.092 1.00 74.93 N +ATOM 83 CA PRO A 14 -5.135 0.332 -6.983 1.00 74.57 C +ATOM 84 C PRO A 14 -4.422 0.706 -5.693 1.00 74.81 C +ATOM 85 O PRO A 14 -3.329 1.261 -5.710 1.00 71.98 O +ATOM 86 CB PRO A 14 -4.865 -1.118 -7.355 1.00 71.23 C +ATOM 87 CG PRO A 14 -3.600 -1.047 -8.135 1.00 70.18 C +ATOM 88 CD PRO A 14 -3.680 0.241 -8.905 1.00 70.11 C +HETATM 89 N HYP A 15 -5.044 0.397 -4.617 1.00 72.47 N +HETATM 90 CA HYP A 15 -4.366 0.560 -3.360 1.00 76.96 C +HETATM 91 C HYP A 15 -3.101 -0.240 -3.331 1.00 79.68 C +HETATM 92 O HYP A 15 -3.037 -1.303 -4.007 1.00 75.75 O +HETATM 93 CB HYP A 15 -5.431 0.098 -2.373 1.00 76.43 C +HETATM 94 CG HYP A 15 -6.734 0.438 -3.086 1.00 73.51 C +HETATM 95 CD HYP A 15 -6.437 0.036 -4.510 1.00 77.08 C +HETATM 96 OD1 HYP A 15 -7.008 1.813 -3.018 1.00 74.82 O +ATOM 97 N GLY A 16 -2.145 0.229 -2.672 1.00 73.53 N +ATOM 98 CA GLY A 16 -0.918 -0.507 -2.550 1.00 71.65 C +ATOM 99 C GLY A 16 -1.111 -1.786 -1.759 1.00 73.44 C +ATOM 100 O GLY A 16 -2.183 -2.042 -1.209 1.00 72.87 O +ATOM 101 N PRO A 17 -0.069 -2.584 -1.708 1.00 70.31 N +ATOM 102 CA PRO A 17 -0.152 -3.833 -0.966 1.00 71.25 C +ATOM 103 C PRO A 17 -0.216 -3.577 0.528 1.00 70.53 C +ATOM 104 O PRO A 17 0.152 -2.512 1.007 1.00 68.39 O +ATOM 105 CB PRO A 17 1.132 -4.555 -1.354 1.00 68.72 C +ATOM 106 CG PRO A 17 2.077 -3.462 -1.674 1.00 67.25 C +ATOM 107 CD PRO A 17 1.245 -2.384 -2.302 1.00 67.04 C +HETATM 108 N HYP A 18 -0.656 -4.540 1.244 1.00 71.39 N +HETATM 109 CA HYP A 18 -0.663 -4.453 2.667 1.00 76.76 C +HETATM 110 C HYP A 18 0.707 -4.186 3.195 1.00 71.57 C +HETATM 111 O HYP A 18 1.708 -4.611 2.592 1.00 77.21 O +HETATM 112 CB HYP A 18 -1.230 -5.801 3.079 1.00 73.54 C +HETATM 113 CG HYP A 18 -2.108 -6.220 1.925 1.00 71.08 C +HETATM 114 CD HYP A 18 -1.304 -5.748 0.742 1.00 77.88 C +HETATM 115 OD1 HYP A 18 -3.349 -5.522 1.947 1.00 76.76 O +ATOM 116 N GLY A 19 0.790 -3.444 4.252 1.00 74.44 N +ATOM 117 CA GLY A 19 2.049 -3.198 4.894 1.00 72.07 C +ATOM 118 C GLY A 19 2.643 -4.471 5.466 1.00 72.94 C +ATOM 119 O GLY A 19 2.037 -5.542 5.407 1.00 72.02 O +ATOM 120 N PRO A 20 3.828 -4.343 6.021 1.00 71.20 N +ATOM 121 CA PRO A 20 4.489 -5.518 6.567 1.00 71.97 C +ATOM 122 C PRO A 20 3.767 -6.052 7.791 1.00 70.64 C +ATOM 123 O PRO A 20 3.000 -5.338 8.436 1.00 69.42 O +ATOM 124 CB PRO A 20 5.882 -5.004 6.920 1.00 68.82 C +ATOM 125 CG PRO A 20 5.694 -3.551 7.134 1.00 66.88 C +ATOM 126 CD PRO A 20 4.614 -3.133 6.180 1.00 66.70 C +HETATM 127 N HYP A 21 4.007 -7.275 8.131 1.00 75.16 N +HETATM 128 CA HYP A 21 3.446 -7.879 9.280 1.00 75.19 C +HETATM 129 C HYP A 21 3.837 -7.152 10.556 1.00 71.85 C +HETATM 130 O HYP A 21 4.925 -6.551 10.614 1.00 77.59 O +HETATM 131 CB HYP A 21 4.032 -9.278 9.250 1.00 75.33 C +HETATM 132 CG HYP A 21 4.307 -9.547 7.795 1.00 71.60 C +HETATM 133 CD HYP A 21 4.746 -8.205 7.287 1.00 77.90 C +HETATM 134 OD1 HYP A 21 3.121 -9.921 7.104 1.00 77.31 O +ATOM 135 N GLY A 22 2.959 -7.083 11.497 1.00 70.44 N +ATOM 136 CA GLY A 22 3.241 -6.471 12.769 1.00 68.15 C +ATOM 137 C GLY A 22 4.260 -7.277 13.565 1.00 66.84 C +ATOM 138 O GLY A 22 4.757 -8.301 13.110 1.00 65.24 O +ATOM 139 N PRO A 23 4.551 -6.807 14.764 1.00 69.10 N +ATOM 140 CA PRO A 23 5.513 -7.510 15.607 1.00 71.85 C +ATOM 141 C PRO A 23 5.028 -8.899 15.961 1.00 71.10 C +ATOM 142 O PRO A 23 3.829 -9.146 16.046 1.00 68.14 O +ATOM 143 CB PRO A 23 5.587 -6.643 16.862 1.00 66.03 C +ATOM 144 CG PRO A 23 5.064 -5.327 16.446 1.00 61.24 C +ATOM 145 CD PRO A 23 4.041 -5.608 15.400 1.00 63.47 C +HETATM 146 N HYP A 24 5.882 -9.783 16.257 1.00 76.07 N +HETATM 147 CA HYP A 24 5.474 -11.128 16.630 1.00 70.23 C +HETATM 148 C HYP A 24 4.617 -11.113 17.877 1.00 65.35 C +HETATM 149 O HYP A 24 4.572 -10.054 18.513 1.00 72.50 O +HETATM 150 CB HYP A 24 6.849 -11.784 16.949 1.00 69.40 C +HETATM 151 CG HYP A 24 7.884 -10.952 16.259 1.00 70.83 C +HETATM 152 CD HYP A 24 7.307 -9.545 16.281 1.00 74.70 C +HETATM 153 OD1 HYP A 24 8.003 -11.364 14.906 1.00 75.28 O +HETATM 154 OXT HYP A 24 4.043 -12.194 18.219 1.00 72.77 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_78.txt b/protein_pdb_78.txt new file mode 100644 index 0000000000000000000000000000000000000000..59c0f8843fc3ada0761f08f99c434e82324fda51 --- /dev/null +++ b/protein_pdb_78.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -0.089 -4.915 7.925 1.00 69.51 N +ATOM 2 CA GLY A 1 -0.150 -3.462 7.977 1.00 73.54 C +ATOM 3 C GLY A 1 -1.180 -2.917 7.022 1.00 75.73 C +ATOM 4 O GLY A 1 -1.832 -3.677 6.307 1.00 72.09 O +ATOM 5 N PRO A 2 -1.338 -1.603 6.984 1.00 70.81 N +ATOM 6 CA PRO A 2 -2.345 -0.991 6.130 1.00 73.99 C +ATOM 7 C PRO A 2 -1.968 -1.051 4.659 1.00 74.33 C +ATOM 8 O PRO A 2 -0.804 -1.165 4.308 1.00 71.73 O +ATOM 9 CB PRO A 2 -2.393 0.452 6.621 1.00 70.49 C +ATOM 10 CG PRO A 2 -1.035 0.694 7.163 1.00 66.40 C +ATOM 11 CD PRO A 2 -0.599 -0.611 7.758 1.00 66.64 C +HETATM 12 N HYP A 3 -2.931 -0.976 3.815 1.00 74.67 N +HETATM 13 CA HYP A 3 -2.751 -0.892 2.388 1.00 74.95 C +HETATM 14 C HYP A 3 -1.969 0.321 1.961 1.00 75.75 C +HETATM 15 O HYP A 3 -2.009 1.383 2.658 1.00 79.23 O +HETATM 16 CB HYP A 3 -4.223 -0.841 1.885 1.00 76.24 C +HETATM 17 CG HYP A 3 -4.998 -1.565 2.961 1.00 74.36 C +HETATM 18 CD HYP A 3 -4.314 -1.078 4.218 1.00 76.48 C +HETATM 19 OD1 HYP A 3 -4.847 -2.959 2.837 1.00 77.76 O +ATOM 20 N GLY A 4 -1.216 0.224 0.945 1.00 80.30 N +ATOM 21 CA GLY A 4 -0.469 1.338 0.433 1.00 77.55 C +ATOM 22 C GLY A 4 -1.372 2.392 -0.181 1.00 76.14 C +ATOM 23 O GLY A 4 -2.590 2.231 -0.255 1.00 73.25 O +ATOM 24 N PRO A 5 -0.773 3.480 -0.639 1.00 77.30 N +ATOM 25 CA PRO A 5 -1.536 4.571 -1.218 1.00 74.98 C +ATOM 26 C PRO A 5 -2.038 4.240 -2.615 1.00 74.11 C +ATOM 27 O PRO A 5 -1.564 3.310 -3.258 1.00 71.13 O +ATOM 28 CB PRO A 5 -0.530 5.710 -1.250 1.00 71.44 C +ATOM 29 CG PRO A 5 0.777 5.022 -1.413 1.00 70.03 C +ATOM 30 CD PRO A 5 0.663 3.757 -0.614 1.00 71.88 C +HETATM 31 N HYP A 6 -2.985 5.011 -3.094 1.00 74.69 N +HETATM 32 CA HYP A 6 -3.462 4.928 -4.451 1.00 77.65 C +HETATM 33 C HYP A 6 -2.391 5.156 -5.472 1.00 75.46 C +HETATM 34 O HYP A 6 -1.372 5.774 -5.144 1.00 77.13 O +HETATM 35 CB HYP A 6 -4.599 5.942 -4.454 1.00 72.50 C +HETATM 36 CG HYP A 6 -5.121 5.950 -3.026 1.00 71.36 C +HETATM 37 CD HYP A 6 -3.844 5.856 -2.248 1.00 76.21 C +HETATM 38 OD1 HYP A 6 -5.933 4.824 -2.752 1.00 71.25 O +ATOM 39 N GLY A 7 -2.557 4.695 -6.651 1.00 73.91 N +ATOM 40 CA GLY A 7 -1.589 4.844 -7.702 1.00 72.56 C +ATOM 41 C GLY A 7 -1.346 6.291 -8.084 1.00 73.22 C +ATOM 42 O GLY A 7 -1.942 7.210 -7.523 1.00 71.34 O +ATOM 43 N PRO A 8 -0.470 6.499 -9.069 1.00 72.52 N +ATOM 44 CA PRO A 8 -0.092 7.845 -9.474 1.00 73.96 C +ATOM 45 C PRO A 8 -1.213 8.582 -10.185 1.00 73.81 C +ATOM 46 O PRO A 8 -2.158 7.985 -10.696 1.00 71.78 O +ATOM 47 CB PRO A 8 1.100 7.611 -10.397 1.00 71.21 C +ATOM 48 CG PRO A 8 0.855 6.262 -10.961 1.00 70.69 C +ATOM 49 CD PRO A 8 0.211 5.478 -9.847 1.00 71.91 C +HETATM 50 N HYP A 9 -1.070 9.891 -10.244 1.00 74.07 N +HETATM 51 CA HYP A 9 -1.958 10.734 -10.948 1.00 77.49 C +HETATM 52 C HYP A 9 -2.171 10.343 -12.353 1.00 77.15 C +HETATM 53 O HYP A 9 -1.266 9.751 -12.950 1.00 77.18 O +HETATM 54 CB HYP A 9 -1.470 12.111 -10.761 1.00 76.66 C +HETATM 55 CG HYP A 9 -0.696 12.042 -9.478 1.00 73.15 C +HETATM 56 CD HYP A 9 -0.121 10.660 -9.502 1.00 76.15 C +HETATM 57 OD1 HYP A 9 -1.542 12.133 -8.355 1.00 72.18 O +ATOM 58 N GLY A 10 -3.215 10.698 -12.975 1.00 75.33 N +ATOM 59 CA GLY A 10 -3.509 10.420 -14.355 1.00 74.43 C +ATOM 60 C GLY A 10 -3.949 8.998 -14.608 1.00 73.75 C +ATOM 61 O GLY A 10 -4.322 8.671 -15.731 1.00 71.79 O +ATOM 62 N LEU A 11 -3.932 8.162 -13.621 1.00 72.59 N +ATOM 63 CA LEU A 11 -4.305 6.770 -13.748 1.00 73.96 C +ATOM 64 C LEU A 11 -4.744 6.277 -12.381 1.00 72.83 C +ATOM 65 O LEU A 11 -3.927 6.177 -11.476 1.00 69.57 O +ATOM 66 CB LEU A 11 -3.115 5.951 -14.252 1.00 69.76 C +ATOM 67 CG LEU A 11 -3.367 4.463 -14.460 1.00 64.15 C +ATOM 68 CD1 LEU A 11 -4.329 4.225 -15.586 1.00 62.74 C +ATOM 69 CD2 LEU A 11 -2.052 3.727 -14.703 1.00 60.88 C +HETATM 70 N HYP A 12 -6.055 5.907 -12.239 1.00 74.08 N +HETATM 71 CA HYP A 12 -6.434 5.493 -10.930 1.00 74.71 C +HETATM 72 C HYP A 12 -5.740 4.193 -10.571 1.00 77.88 C +HETATM 73 O HYP A 12 -6.046 3.140 -11.211 1.00 77.93 O +HETATM 74 CB HYP A 12 -7.926 5.303 -10.882 1.00 73.08 C +HETATM 75 CG HYP A 12 -8.383 6.042 -12.099 1.00 70.19 C +HETATM 76 CD HYP A 12 -7.263 5.904 -13.091 1.00 74.64 C +HETATM 77 OD1 HYP A 12 -8.547 7.420 -11.811 1.00 73.11 O +ATOM 78 N GLY A 13 -4.810 4.269 -9.742 1.00 77.81 N +ATOM 79 CA GLY A 13 -4.111 3.075 -9.350 1.00 76.19 C +ATOM 80 C GLY A 13 -4.836 2.361 -8.230 1.00 76.84 C +ATOM 81 O GLY A 13 -5.626 2.958 -7.499 1.00 75.25 O +ATOM 82 N PRO A 14 -4.564 1.073 -8.092 1.00 74.93 N +ATOM 83 CA PRO A 14 -5.135 0.332 -6.983 1.00 74.57 C +ATOM 84 C PRO A 14 -4.422 0.706 -5.693 1.00 74.81 C +ATOM 85 O PRO A 14 -3.329 1.261 -5.710 1.00 71.98 O +ATOM 86 CB PRO A 14 -4.865 -1.118 -7.355 1.00 71.23 C +ATOM 87 CG PRO A 14 -3.600 -1.047 -8.135 1.00 70.18 C +ATOM 88 CD PRO A 14 -3.680 0.241 -8.905 1.00 70.11 C +HETATM 89 N HYP A 15 -5.044 0.397 -4.617 1.00 72.47 N +HETATM 90 CA HYP A 15 -4.366 0.560 -3.360 1.00 76.96 C +HETATM 91 C HYP A 15 -3.101 -0.240 -3.331 1.00 79.68 C +HETATM 92 O HYP A 15 -3.037 -1.303 -4.007 1.00 75.75 O +HETATM 93 CB HYP A 15 -5.431 0.098 -2.373 1.00 76.43 C +HETATM 94 CG HYP A 15 -6.734 0.438 -3.086 1.00 73.51 C +HETATM 95 CD HYP A 15 -6.437 0.036 -4.510 1.00 77.08 C +HETATM 96 OD1 HYP A 15 -7.008 1.813 -3.018 1.00 74.82 O +ATOM 97 N GLY A 16 -2.145 0.229 -2.672 1.00 73.53 N +ATOM 98 CA GLY A 16 -0.918 -0.507 -2.550 1.00 71.65 C +ATOM 99 C GLY A 16 -1.111 -1.786 -1.759 1.00 73.44 C +ATOM 100 O GLY A 16 -2.183 -2.042 -1.209 1.00 72.87 O +ATOM 101 N PRO A 17 -0.069 -2.584 -1.708 1.00 70.31 N +ATOM 102 CA PRO A 17 -0.152 -3.833 -0.966 1.00 71.25 C +ATOM 103 C PRO A 17 -0.216 -3.577 0.528 1.00 70.53 C +ATOM 104 O PRO A 17 0.152 -2.512 1.007 1.00 68.39 O +ATOM 105 CB PRO A 17 1.132 -4.555 -1.354 1.00 68.72 C +ATOM 106 CG PRO A 17 2.077 -3.462 -1.674 1.00 67.25 C +ATOM 107 CD PRO A 17 1.245 -2.384 -2.302 1.00 67.04 C +HETATM 108 N HYP A 18 -0.656 -4.540 1.244 1.00 71.39 N +HETATM 109 CA HYP A 18 -0.663 -4.453 2.667 1.00 76.76 C +HETATM 110 C HYP A 18 0.707 -4.186 3.195 1.00 71.57 C +HETATM 111 O HYP A 18 1.708 -4.611 2.592 1.00 77.21 O +HETATM 112 CB HYP A 18 -1.230 -5.801 3.079 1.00 73.54 C +HETATM 113 CG HYP A 18 -2.108 -6.220 1.925 1.00 71.08 C +HETATM 114 CD HYP A 18 -1.304 -5.748 0.742 1.00 77.88 C +HETATM 115 OD1 HYP A 18 -3.349 -5.522 1.947 1.00 76.76 O +ATOM 116 N GLY A 19 0.790 -3.444 4.252 1.00 74.44 N +ATOM 117 CA GLY A 19 2.049 -3.198 4.894 1.00 72.07 C +ATOM 118 C GLY A 19 2.643 -4.471 5.466 1.00 72.94 C +ATOM 119 O GLY A 19 2.037 -5.542 5.407 1.00 72.02 O +ATOM 120 N PRO A 20 3.828 -4.343 6.021 1.00 71.20 N +ATOM 121 CA PRO A 20 4.489 -5.518 6.567 1.00 71.97 C +ATOM 122 C PRO A 20 3.767 -6.052 7.791 1.00 70.64 C +ATOM 123 O PRO A 20 3.000 -5.338 8.436 1.00 69.42 O +ATOM 124 CB PRO A 20 5.882 -5.004 6.920 1.00 68.82 C +ATOM 125 CG PRO A 20 5.694 -3.551 7.134 1.00 66.88 C +ATOM 126 CD PRO A 20 4.614 -3.133 6.180 1.00 66.70 C +HETATM 127 N HYP A 21 4.007 -7.275 8.131 1.00 75.16 N +HETATM 128 CA HYP A 21 3.446 -7.879 9.280 1.00 75.19 C +HETATM 129 C HYP A 21 3.837 -7.152 10.556 1.00 71.85 C +HETATM 130 O HYP A 21 4.925 -6.551 10.614 1.00 77.59 O +HETATM 131 CB HYP A 21 4.032 -9.278 9.250 1.00 75.33 C +HETATM 132 CG HYP A 21 4.307 -9.547 7.795 1.00 71.60 C +HETATM 133 CD HYP A 21 4.746 -8.205 7.287 1.00 77.90 C +HETATM 134 OD1 HYP A 21 3.121 -9.921 7.104 1.00 77.31 O +ATOM 135 N GLY A 22 2.959 -7.083 11.497 1.00 70.44 N +ATOM 136 CA GLY A 22 3.241 -6.471 12.769 1.00 68.15 C +ATOM 137 C GLY A 22 4.260 -7.277 13.565 1.00 66.84 C +ATOM 138 O GLY A 22 4.757 -8.301 13.110 1.00 65.24 O +ATOM 139 N PRO A 23 4.551 -6.807 14.764 1.00 69.10 N +ATOM 140 CA PRO A 23 5.513 -7.510 15.607 1.00 71.85 C +ATOM 141 C PRO A 23 5.028 -8.899 15.961 1.00 71.10 C +ATOM 142 O PRO A 23 3.829 -9.146 16.046 1.00 68.14 O +ATOM 143 CB PRO A 23 5.587 -6.643 16.862 1.00 66.03 C +ATOM 144 CG PRO A 23 5.064 -5.327 16.446 1.00 61.24 C +ATOM 145 CD PRO A 23 4.041 -5.608 15.400 1.00 63.47 C +HETATM 146 N HYP A 24 5.882 -9.783 16.257 1.00 76.07 N +HETATM 147 CA HYP A 24 5.474 -11.128 16.630 1.00 70.23 C +HETATM 148 C HYP A 24 4.617 -11.113 17.877 1.00 65.35 C +HETATM 149 O HYP A 24 4.572 -10.054 18.513 1.00 72.50 O +HETATM 150 CB HYP A 24 6.849 -11.784 16.949 1.00 69.40 C +HETATM 151 CG HYP A 24 7.884 -10.952 16.259 1.00 70.83 C +HETATM 152 CD HYP A 24 7.307 -9.545 16.281 1.00 74.70 C +HETATM 153 OD1 HYP A 24 8.003 -11.364 14.906 1.00 75.28 O +HETATM 154 OXT HYP A 24 4.043 -12.194 18.219 1.00 72.77 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_79.txt b/protein_pdb_79.txt new file mode 100644 index 0000000000000000000000000000000000000000..98a864872055f13e261c75d669120be6c68cdb27 --- /dev/null +++ b/protein_pdb_79.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -2.285 -5.084 7.695 1.00 72.04 N +ATOM 2 CA GLY A 1 -3.015 -3.853 7.450 1.00 75.50 C +ATOM 3 C GLY A 1 -3.480 -3.758 6.020 1.00 77.60 C +ATOM 4 O GLY A 1 -3.220 -4.652 5.219 1.00 74.09 O +ATOM 5 N PRO A 2 -4.176 -2.679 5.671 1.00 72.61 N +ATOM 6 CA PRO A 2 -4.717 -2.526 4.329 1.00 76.17 C +ATOM 7 C PRO A 2 -3.642 -2.191 3.311 1.00 76.31 C +ATOM 8 O PRO A 2 -2.571 -1.718 3.648 1.00 73.64 O +ATOM 9 CB PRO A 2 -5.699 -1.367 4.480 1.00 72.99 C +ATOM 10 CG PRO A 2 -5.120 -0.551 5.582 1.00 68.58 C +ATOM 11 CD PRO A 2 -4.512 -1.543 6.530 1.00 67.85 C +HETATM 12 N HYP A 3 -3.929 -2.441 2.093 1.00 75.77 N +HETATM 13 CA HYP A 3 -3.086 -2.056 0.974 1.00 77.75 C +HETATM 14 C HYP A 3 -2.858 -0.574 0.909 1.00 76.37 C +HETATM 15 O HYP A 3 -3.731 0.232 1.362 1.00 79.14 O +HETATM 16 CB HYP A 3 -3.916 -2.598 -0.221 1.00 75.42 C +HETATM 17 CG HYP A 3 -4.671 -3.772 0.362 1.00 72.05 C +HETATM 18 CD HYP A 3 -5.085 -3.240 1.712 1.00 75.34 C +HETATM 19 OD1 HYP A 3 -3.836 -4.889 0.522 1.00 77.36 O +ATOM 20 N GLY A 4 -1.737 -0.164 0.494 1.00 81.14 N +ATOM 21 CA GLY A 4 -1.440 1.234 0.352 1.00 79.25 C +ATOM 22 C GLY A 4 -2.248 1.873 -0.757 1.00 78.22 C +ATOM 23 O GLY A 4 -3.021 1.216 -1.453 1.00 75.85 O +ATOM 24 N PRO A 5 -2.063 3.167 -0.930 1.00 79.21 N +ATOM 25 CA PRO A 5 -2.816 3.895 -1.943 1.00 77.67 C +ATOM 26 C PRO A 5 -2.337 3.577 -3.351 1.00 76.90 C +ATOM 27 O PRO A 5 -1.232 3.084 -3.546 1.00 74.25 O +ATOM 28 CB PRO A 5 -2.550 5.353 -1.579 1.00 74.58 C +ATOM 29 CG PRO A 5 -1.213 5.321 -0.943 1.00 73.51 C +ATOM 30 CD PRO A 5 -1.157 4.028 -0.182 1.00 75.27 C +HETATM 31 N HYP A 6 -3.158 3.883 -4.317 1.00 75.27 N +HETATM 32 CA HYP A 6 -2.801 3.766 -5.707 1.00 77.45 C +HETATM 33 C HYP A 6 -1.637 4.620 -6.083 1.00 75.49 C +HETATM 34 O HYP A 6 -1.371 5.613 -5.403 1.00 76.56 O +HETATM 35 CB HYP A 6 -4.113 4.163 -6.405 1.00 71.61 C +HETATM 36 CG HYP A 6 -5.200 3.775 -5.422 1.00 70.41 C +HETATM 37 CD HYP A 6 -4.588 4.173 -4.122 1.00 76.35 C +HETATM 38 OD1 HYP A 6 -5.436 2.373 -5.432 1.00 71.27 O +ATOM 39 N GLY A 7 -0.921 4.271 -7.093 1.00 77.31 N +ATOM 40 CA GLY A 7 0.219 5.022 -7.541 1.00 75.56 C +ATOM 41 C GLY A 7 -0.142 6.418 -8.000 1.00 75.90 C +ATOM 42 O GLY A 7 -1.317 6.792 -8.046 1.00 74.04 O +ATOM 43 N PRO A 8 0.871 7.200 -8.360 1.00 77.60 N +ATOM 44 CA PRO A 8 0.648 8.578 -8.765 1.00 77.76 C +ATOM 45 C PRO A 8 -0.008 8.685 -10.128 1.00 78.01 C +ATOM 46 O PRO A 8 0.011 7.752 -10.926 1.00 75.59 O +ATOM 47 CB PRO A 8 2.054 9.167 -8.774 1.00 74.77 C +ATOM 48 CG PRO A 8 2.919 8.005 -9.081 1.00 74.54 C +ATOM 49 CD PRO A 8 2.272 6.828 -8.398 1.00 75.38 C +HETATM 50 N HYP A 9 -0.554 9.850 -10.384 1.00 76.28 N +HETATM 51 CA HYP A 9 -1.115 10.175 -11.653 1.00 78.29 C +HETATM 52 C HYP A 9 -0.201 9.981 -12.764 1.00 78.59 C +HETATM 53 O HYP A 9 1.002 10.030 -12.559 1.00 78.95 O +HETATM 54 CB HYP A 9 -1.739 11.486 -11.556 1.00 76.97 C +HETATM 55 CG HYP A 9 -2.020 11.622 -10.090 1.00 74.46 C +HETATM 56 CD HYP A 9 -0.884 10.876 -9.451 1.00 77.91 C +HETATM 57 OD1 HYP A 9 -3.229 10.977 -9.739 1.00 73.86 O +ATOM 58 N GLY A 10 -0.601 9.898 -13.960 1.00 78.98 N +ATOM 59 CA GLY A 10 0.205 9.784 -15.149 1.00 77.95 C +ATOM 60 C GLY A 10 0.524 8.351 -15.500 1.00 76.74 C +ATOM 61 O GLY A 10 0.609 8.011 -16.683 1.00 74.59 O +ATOM 62 N VAL A 11 0.696 7.520 -14.543 1.00 74.96 N +ATOM 63 CA VAL A 11 0.952 6.098 -14.726 1.00 75.08 C +ATOM 64 C VAL A 11 0.184 5.390 -13.624 1.00 74.04 C +ATOM 65 O VAL A 11 0.524 5.516 -12.459 1.00 71.63 O +ATOM 66 CB VAL A 11 2.448 5.759 -14.615 1.00 71.37 C +ATOM 67 CG1 VAL A 11 2.657 4.263 -14.788 1.00 66.57 C +ATOM 68 CG2 VAL A 11 3.265 6.526 -15.652 1.00 68.74 C +HETATM 69 N HYP A 12 -0.854 4.563 -14.014 1.00 75.47 N +HETATM 70 CA HYP A 12 -1.573 3.999 -12.927 1.00 74.48 C +HETATM 71 C HYP A 12 -0.715 3.052 -12.137 1.00 78.34 C +HETATM 72 O HYP A 12 -0.257 2.016 -12.697 1.00 76.59 O +HETATM 73 CB HYP A 12 -2.793 3.281 -13.495 1.00 72.71 C +HETATM 74 CG HYP A 12 -2.967 3.960 -14.825 1.00 70.20 C +HETATM 75 CD HYP A 12 -1.566 4.231 -15.276 1.00 76.38 C +HETATM 76 OD1 HYP A 12 -3.663 5.179 -14.699 1.00 72.35 O +ATOM 77 N GLY A 13 -0.395 3.420 -10.962 1.00 79.92 N +ATOM 78 CA GLY A 13 0.416 2.571 -10.134 1.00 78.57 C +ATOM 79 C GLY A 13 -0.425 1.502 -9.465 1.00 79.81 C +ATOM 80 O GLY A 13 -1.645 1.624 -9.362 1.00 78.21 O +ATOM 81 N PRO A 14 0.228 0.466 -9.004 1.00 75.43 N +ATOM 82 CA PRO A 14 -0.480 -0.572 -8.276 1.00 75.07 C +ATOM 83 C PRO A 14 -0.808 -0.093 -6.873 1.00 75.52 C +ATOM 84 O PRO A 14 -0.239 0.877 -6.383 1.00 72.69 O +ATOM 85 CB PRO A 14 0.517 -1.722 -8.244 1.00 72.01 C +ATOM 86 CG PRO A 14 1.837 -1.032 -8.215 1.00 70.02 C +ATOM 87 CD PRO A 14 1.668 0.188 -9.078 1.00 69.05 C +HETATM 88 N HYP A 15 -1.700 -0.779 -6.255 1.00 75.28 N +HETATM 89 CA HYP A 15 -1.932 -0.516 -4.862 1.00 78.55 C +HETATM 90 C HYP A 15 -0.664 -0.718 -4.088 1.00 81.15 C +HETATM 91 O HYP A 15 0.175 -1.555 -4.497 1.00 76.93 O +HETATM 92 CB HYP A 15 -3.058 -1.501 -4.525 1.00 76.59 C +HETATM 93 CG HYP A 15 -3.806 -1.623 -5.859 1.00 75.33 C +HETATM 94 CD HYP A 15 -2.666 -1.698 -6.849 1.00 78.23 C +HETATM 95 OD1 HYP A 15 -4.590 -0.484 -6.105 1.00 75.18 O +ATOM 96 N GLY A 16 -0.483 0.039 -3.090 1.00 76.84 N +ATOM 97 CA GLY A 16 0.677 -0.113 -2.264 1.00 75.19 C +ATOM 98 C GLY A 16 0.678 -1.444 -1.536 1.00 76.53 C +ATOM 99 O GLY A 16 -0.290 -2.202 -1.590 1.00 75.81 O +ATOM 100 N PRO A 17 1.772 -1.719 -0.868 1.00 72.62 N +ATOM 101 CA PRO A 17 1.863 -2.967 -0.132 1.00 73.86 C +ATOM 102 C PRO A 17 0.942 -2.964 1.071 1.00 73.42 C +ATOM 103 O PRO A 17 0.520 -1.919 1.546 1.00 70.98 O +ATOM 104 CB PRO A 17 3.324 -3.026 0.285 1.00 71.50 C +ATOM 105 CG PRO A 17 3.734 -1.603 0.352 1.00 70.29 C +ATOM 106 CD PRO A 17 2.970 -0.905 -0.727 1.00 69.53 C +HETATM 107 N HYP A 18 0.651 -4.120 1.565 1.00 73.75 N +HETATM 108 CA HYP A 18 -0.121 -4.224 2.752 1.00 77.07 C +HETATM 109 C HYP A 18 0.511 -3.484 3.884 1.00 73.95 C +HETATM 110 O HYP A 18 1.743 -3.372 3.956 1.00 77.61 O +HETATM 111 CB HYP A 18 -0.180 -5.742 2.974 1.00 73.93 C +HETATM 112 CG HYP A 18 -0.065 -6.335 1.590 1.00 73.67 C +HETATM 113 CD HYP A 18 0.934 -5.419 0.949 1.00 78.97 C +HETATM 114 OD1 HYP A 18 -1.293 -6.246 0.884 1.00 77.02 O +ATOM 115 N GLY A 19 -0.292 -2.900 4.714 1.00 77.92 N +ATOM 116 CA GLY A 19 0.202 -2.245 5.892 1.00 76.06 C +ATOM 117 C GLY A 19 0.822 -3.240 6.850 1.00 76.42 C +ATOM 118 O GLY A 19 0.792 -4.451 6.622 1.00 75.44 O +ATOM 119 N PRO A 20 1.382 -2.722 7.925 1.00 72.91 N +ATOM 120 CA PRO A 20 2.020 -3.599 8.891 1.00 73.78 C +ATOM 121 C PRO A 20 1.008 -4.464 9.614 1.00 72.81 C +ATOM 122 O PRO A 20 -0.173 -4.138 9.676 1.00 71.65 O +ATOM 123 CB PRO A 20 2.712 -2.631 9.844 1.00 71.19 C +ATOM 124 CG PRO A 20 1.910 -1.383 9.739 1.00 68.74 C +ATOM 125 CD PRO A 20 1.435 -1.324 8.320 1.00 67.99 C +HETATM 126 N HYP A 21 1.466 -5.542 10.179 1.00 78.16 N +HETATM 127 CA HYP A 21 0.616 -6.399 10.930 1.00 77.79 C +HETATM 128 C HYP A 21 0.029 -5.676 12.137 1.00 74.39 C +HETATM 129 O HYP A 21 0.652 -4.744 12.673 1.00 79.68 O +HETATM 130 CB HYP A 21 1.582 -7.496 11.396 1.00 76.72 C +HETATM 131 CG HYP A 21 2.654 -7.531 10.333 1.00 74.47 C +HETATM 132 CD HYP A 21 2.812 -6.075 9.971 1.00 80.06 C +HETATM 133 OD1 HYP A 21 2.213 -8.236 9.181 1.00 78.36 O +ATOM 134 N GLY A 22 -1.190 -5.973 12.461 1.00 75.44 N +ATOM 135 CA GLY A 22 -1.808 -5.411 13.631 1.00 73.28 C +ATOM 136 C GLY A 22 -1.143 -5.906 14.908 1.00 72.40 C +ATOM 137 O GLY A 22 -0.231 -6.735 14.873 1.00 71.13 O +ATOM 138 N PRO A 23 -1.595 -5.398 16.028 1.00 74.93 N +ATOM 139 CA PRO A 23 -1.039 -5.833 17.305 1.00 78.28 C +ATOM 140 C PRO A 23 -1.317 -7.299 17.550 1.00 77.04 C +ATOM 141 O PRO A 23 -2.309 -7.837 17.070 1.00 73.94 O +ATOM 142 CB PRO A 23 -1.768 -4.974 18.334 1.00 72.97 C +ATOM 143 CG PRO A 23 -2.380 -3.877 17.562 1.00 67.89 C +ATOM 144 CD PRO A 23 -2.649 -4.410 16.203 1.00 70.04 C +HETATM 145 N HYP A 24 -0.575 -7.949 18.336 1.00 82.39 N +HETATM 146 CA HYP A 24 -0.826 -9.329 18.639 1.00 77.31 C +HETATM 147 C HYP A 24 -2.173 -9.498 19.301 1.00 71.66 C +HETATM 148 O HYP A 24 -2.676 -8.479 19.791 1.00 76.87 O +HETATM 149 CB HYP A 24 0.287 -9.670 19.640 1.00 74.73 C +HETATM 150 CG HYP A 24 1.364 -8.665 19.402 1.00 75.80 C +HETATM 151 CD HYP A 24 0.599 -7.412 18.995 1.00 79.87 C +HETATM 152 OD1 HYP A 24 2.175 -9.088 18.322 1.00 78.18 O +HETATM 153 OXT HYP A 24 -2.683 -10.647 19.371 1.00 73.95 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_8.txt b/protein_pdb_8.txt new file mode 100644 index 0000000000000000000000000000000000000000..6f5c3ba1ced13a6a0ca7b63b35eb764c60b7dd0c --- /dev/null +++ b/protein_pdb_8.txt @@ -0,0 +1,136 @@ +ATOM 1 N GLY A 1 30.851 1.164 1.543 1.00 95.93 N +ATOM 2 CA GLY A 1 29.960 0.996 2.686 1.00 96.50 C +ATOM 3 C GLY A 1 28.785 0.109 2.344 1.00 97.02 C +ATOM 4 O GLY A 1 28.604 -0.266 1.187 1.00 96.05 O +ATOM 5 N PRO A 2 27.980 -0.229 3.315 1.00 97.62 N +ATOM 6 CA PRO A 2 26.812 -1.068 3.067 1.00 97.87 C +ATOM 7 C PRO A 2 25.758 -0.321 2.258 1.00 98.04 C +ATOM 8 O PRO A 2 25.753 0.905 2.202 1.00 97.41 O +ATOM 9 CB PRO A 2 26.302 -1.409 4.464 1.00 97.08 C +ATOM 10 CG PRO A 2 26.761 -0.266 5.298 1.00 95.47 C +ATOM 11 CD PRO A 2 28.078 0.169 4.712 1.00 96.89 C +HETATM 12 N HYP A 3 24.933 -1.030 1.622 1.00 98.17 N +HETATM 13 CA HYP A 3 23.782 -0.477 0.923 1.00 97.26 C +HETATM 14 C HYP A 3 22.961 0.402 1.830 1.00 98.39 C +HETATM 15 O HYP A 3 22.888 0.116 3.045 1.00 97.82 O +HETATM 16 CB HYP A 3 23.030 -1.695 0.464 1.00 97.14 C +HETATM 17 CG HYP A 3 24.055 -2.796 0.419 1.00 97.11 C +HETATM 18 CD HYP A 3 24.975 -2.464 1.584 1.00 97.64 C +HETATM 19 OD1 HYP A 3 24.764 -2.800 -0.776 1.00 96.92 O +ATOM 20 N GLY A 4 22.346 1.409 1.236 1.00 98.23 N +ATOM 21 CA GLY A 4 21.473 2.261 2.008 1.00 98.05 C +ATOM 22 C GLY A 4 20.225 1.518 2.452 1.00 98.13 C +ATOM 23 O GLY A 4 19.961 0.396 1.999 1.00 97.77 O +ATOM 24 N PRO A 5 19.445 2.139 3.325 1.00 98.14 N +ATOM 25 CA PRO A 5 18.216 1.495 3.792 1.00 98.07 C +ATOM 26 C PRO A 5 17.185 1.427 2.676 1.00 98.03 C +ATOM 27 O PRO A 5 17.210 2.208 1.732 1.00 97.57 O +ATOM 28 CB PRO A 5 17.748 2.395 4.932 1.00 97.60 C +ATOM 29 CG PRO A 5 18.303 3.729 4.580 1.00 96.64 C +ATOM 30 CD PRO A 5 19.625 3.461 3.895 1.00 97.77 C +HETATM 31 N HYP A 6 16.300 0.516 2.782 1.00 98.28 N +HETATM 32 CA HYP A 6 15.168 0.416 1.884 1.00 97.95 C +HETATM 33 C HYP A 6 14.325 1.657 1.878 1.00 98.29 C +HETATM 34 O HYP A 6 14.222 2.289 2.926 1.00 97.83 O +HETATM 35 CB HYP A 6 14.385 -0.809 2.376 1.00 97.14 C +HETATM 36 CG HYP A 6 15.442 -1.620 3.074 1.00 96.87 C +HETATM 37 CD HYP A 6 16.321 -0.574 3.699 1.00 97.44 C +HETATM 38 OD1 HYP A 6 16.157 -2.389 2.166 1.00 96.30 O +ATOM 39 N GLY A 7 13.736 1.952 0.763 1.00 98.12 N +ATOM 40 CA GLY A 7 12.839 3.084 0.690 1.00 97.97 C +ATOM 41 C GLY A 7 11.608 2.864 1.551 1.00 98.00 C +ATOM 42 O GLY A 7 11.360 1.764 2.051 1.00 97.77 O +ATOM 43 N PRO A 8 10.807 3.915 1.712 1.00 98.17 N +ATOM 44 CA PRO A 8 9.596 3.765 2.516 1.00 97.91 C +ATOM 45 C PRO A 8 8.612 2.808 1.864 1.00 97.83 C +ATOM 46 O PRO A 8 8.574 2.648 0.644 1.00 96.95 O +ATOM 47 CB PRO A 8 9.027 5.186 2.587 1.00 97.51 C +ATOM 48 CG PRO A 8 9.594 5.863 1.389 1.00 96.70 C +ATOM 49 CD PRO A 8 10.952 5.248 1.165 1.00 97.78 C +ATOM 50 N LYS A 9 7.830 2.154 2.705 1.00 97.76 N +ATOM 51 CA LYS A 9 6.820 1.226 2.222 1.00 97.53 C +ATOM 52 C LYS A 9 5.765 1.979 1.423 1.00 97.79 C +ATOM 53 O LYS A 9 5.399 3.102 1.761 1.00 97.16 O +ATOM 54 CB LYS A 9 6.181 0.486 3.402 1.00 96.01 C +ATOM 55 CG LYS A 9 5.255 -0.651 3.015 1.00 89.63 C +ATOM 56 CD LYS A 9 4.674 -1.328 4.247 1.00 87.47 C +ATOM 57 CE LYS A 9 3.909 -2.597 3.900 1.00 81.10 C +ATOM 58 NZ LYS A 9 2.779 -2.334 2.983 1.00 76.46 N +ATOM 59 N GLY A 10 5.301 1.343 0.353 1.00 97.80 N +ATOM 60 CA GLY A 10 4.237 1.942 -0.428 1.00 97.66 C +ATOM 61 C GLY A 10 2.952 2.032 0.360 1.00 97.71 C +ATOM 62 O GLY A 10 2.769 1.357 1.371 1.00 97.30 O +ATOM 63 N SER A 11 2.077 2.890 -0.103 1.00 98.02 N +ATOM 64 CA SER A 11 0.793 3.058 0.558 1.00 97.85 C +ATOM 65 C SER A 11 -0.064 1.818 0.367 1.00 98.01 C +ATOM 66 O SER A 11 0.101 1.066 -0.586 1.00 97.37 O +ATOM 67 CB SER A 11 0.080 4.293 0.021 1.00 96.73 C +ATOM 68 OG SER A 11 -0.166 4.151 -1.353 1.00 90.67 O +HETATM 69 N HYP A 12 -1.009 1.576 1.268 1.00 97.90 N +HETATM 70 CA HYP A 12 -1.944 0.504 1.162 1.00 97.70 C +HETATM 71 C HYP A 12 -2.802 0.652 -0.053 1.00 98.33 C +HETATM 72 O HYP A 12 -3.043 1.804 -0.490 1.00 97.47 O +HETATM 73 CB HYP A 12 -2.721 0.545 2.442 1.00 97.74 C +HETATM 74 CG HYP A 12 -1.820 1.241 3.404 1.00 97.25 C +HETATM 75 CD HYP A 12 -1.121 2.196 2.527 1.00 97.35 C +HETATM 76 OD1 HYP A 12 -0.894 0.362 3.987 1.00 96.65 O +ATOM 77 N GLY A 13 -3.276 -0.443 -0.568 1.00 98.34 N +ATOM 78 CA GLY A 13 -4.205 -0.377 -1.666 1.00 98.29 C +ATOM 79 C GLY A 13 -5.523 0.255 -1.229 1.00 98.43 C +ATOM 80 O GLY A 13 -5.785 0.422 -0.038 1.00 98.27 O +ATOM 81 N PRO A 14 -6.356 0.608 -2.201 1.00 98.21 N +ATOM 82 CA PRO A 14 -7.643 1.205 -1.866 1.00 98.15 C +ATOM 83 C PRO A 14 -8.566 0.199 -1.200 1.00 98.10 C +ATOM 84 O PRO A 14 -8.406 -1.010 -1.352 1.00 97.74 O +ATOM 85 CB PRO A 14 -8.192 1.650 -3.222 1.00 97.62 C +ATOM 86 CG PRO A 14 -7.547 0.720 -4.187 1.00 96.92 C +ATOM 87 CD PRO A 14 -6.180 0.439 -3.632 1.00 97.95 C +HETATM 88 N HYP A 15 -9.533 0.675 -0.468 1.00 98.15 N +HETATM 89 CA HYP A 15 -10.546 -0.171 0.109 1.00 97.38 C +HETATM 90 C HYP A 15 -11.291 -0.968 -0.917 1.00 98.16 C +HETATM 91 O HYP A 15 -11.457 -0.481 -2.053 1.00 98.01 O +HETATM 92 CB HYP A 15 -11.452 0.808 0.840 1.00 97.29 C +HETATM 93 CG HYP A 15 -10.582 1.990 1.127 1.00 96.85 C +HETATM 94 CD HYP A 15 -9.670 2.043 -0.079 1.00 97.43 C +HETATM 95 OD1 HYP A 15 -9.781 1.781 2.281 1.00 96.62 O +ATOM 96 N GLY A 16 -11.716 -2.146 -0.567 1.00 98.01 N +ATOM 97 CA GLY A 16 -12.500 -2.936 -1.475 1.00 97.89 C +ATOM 98 C GLY A 16 -13.838 -2.282 -1.758 1.00 97.90 C +ATOM 99 O GLY A 16 -14.248 -1.344 -1.071 1.00 97.68 O +ATOM 100 N PRO A 17 -14.534 -2.765 -2.778 1.00 97.81 N +ATOM 101 CA PRO A 17 -15.835 -2.197 -3.109 1.00 97.67 C +ATOM 102 C PRO A 17 -16.864 -2.533 -2.049 1.00 97.62 C +ATOM 103 O PRO A 17 -16.720 -3.497 -1.306 1.00 96.83 O +ATOM 104 CB PRO A 17 -16.172 -2.843 -4.454 1.00 96.61 C +ATOM 105 CG PRO A 17 -15.441 -4.134 -4.412 1.00 95.12 C +ATOM 106 CD PRO A 17 -14.166 -3.869 -3.655 1.00 97.06 C +HETATM 107 N HYP A 18 -17.924 -1.760 -1.976 1.00 97.75 N +HETATM 108 CA HYP A 18 -19.008 -2.042 -1.096 1.00 96.77 C +HETATM 109 C HYP A 18 -19.649 -3.370 -1.366 1.00 97.85 C +HETATM 110 O HYP A 18 -19.666 -3.802 -2.538 1.00 97.59 O +HETATM 111 CB HYP A 18 -20.002 -0.903 -1.412 1.00 96.19 C +HETATM 112 CG HYP A 18 -19.145 0.232 -1.946 1.00 95.57 C +HETATM 113 CD HYP A 18 -18.069 -0.514 -2.695 1.00 96.60 C +HETATM 114 OD1 HYP A 18 -18.544 0.957 -0.879 1.00 95.13 O +ATOM 115 N GLY A 19 -20.110 -4.064 -0.364 1.00 96.70 N +ATOM 116 CA GLY A 19 -20.760 -5.333 -0.550 1.00 96.86 C +ATOM 117 C GLY A 19 -22.057 -5.180 -1.326 1.00 97.23 C +ATOM 118 O GLY A 19 -22.539 -4.068 -1.544 1.00 96.62 O +ATOM 119 N PRO A 20 -22.651 -6.301 -1.735 1.00 97.03 N +ATOM 120 CA PRO A 20 -23.899 -6.239 -2.487 1.00 96.95 C +ATOM 121 C PRO A 20 -25.045 -5.803 -1.601 1.00 97.03 C +ATOM 122 O PRO A 20 -25.011 -5.966 -0.383 1.00 95.32 O +ATOM 123 CB PRO A 20 -24.087 -7.672 -2.981 1.00 95.42 C +ATOM 124 CG PRO A 20 -23.379 -8.494 -1.966 1.00 92.99 C +ATOM 125 CD PRO A 20 -22.209 -7.671 -1.520 1.00 95.95 C +HETATM 126 N HYP A 21 -26.082 -5.249 -2.187 1.00 96.98 N +HETATM 127 CA HYP A 21 -27.232 -4.970 -1.383 1.00 94.91 C +HETATM 128 C HYP A 21 -27.800 -6.285 -0.900 1.00 95.95 C +HETATM 129 O HYP A 21 -27.960 -6.355 0.279 1.00 94.15 O +HETATM 130 CB HYP A 21 -28.265 -4.336 -2.385 1.00 94.95 C +HETATM 131 CG HYP A 21 -27.466 -3.811 -3.519 1.00 94.57 C +HETATM 132 CD HYP A 21 -26.243 -4.715 -3.551 1.00 95.60 C +HETATM 133 OD1 HYP A 21 -27.022 -2.511 -3.202 1.00 92.13 O +HETATM 134 OXT HYP A 21 -27.961 -7.212 -1.734 1.00 91.53 O +TER 135 HYP A 21 +END diff --git a/protein_pdb_80.txt b/protein_pdb_80.txt new file mode 100644 index 0000000000000000000000000000000000000000..98a864872055f13e261c75d669120be6c68cdb27 --- /dev/null +++ b/protein_pdb_80.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 -2.285 -5.084 7.695 1.00 72.04 N +ATOM 2 CA GLY A 1 -3.015 -3.853 7.450 1.00 75.50 C +ATOM 3 C GLY A 1 -3.480 -3.758 6.020 1.00 77.60 C +ATOM 4 O GLY A 1 -3.220 -4.652 5.219 1.00 74.09 O +ATOM 5 N PRO A 2 -4.176 -2.679 5.671 1.00 72.61 N +ATOM 6 CA PRO A 2 -4.717 -2.526 4.329 1.00 76.17 C +ATOM 7 C PRO A 2 -3.642 -2.191 3.311 1.00 76.31 C +ATOM 8 O PRO A 2 -2.571 -1.718 3.648 1.00 73.64 O +ATOM 9 CB PRO A 2 -5.699 -1.367 4.480 1.00 72.99 C +ATOM 10 CG PRO A 2 -5.120 -0.551 5.582 1.00 68.58 C +ATOM 11 CD PRO A 2 -4.512 -1.543 6.530 1.00 67.85 C +HETATM 12 N HYP A 3 -3.929 -2.441 2.093 1.00 75.77 N +HETATM 13 CA HYP A 3 -3.086 -2.056 0.974 1.00 77.75 C +HETATM 14 C HYP A 3 -2.858 -0.574 0.909 1.00 76.37 C +HETATM 15 O HYP A 3 -3.731 0.232 1.362 1.00 79.14 O +HETATM 16 CB HYP A 3 -3.916 -2.598 -0.221 1.00 75.42 C +HETATM 17 CG HYP A 3 -4.671 -3.772 0.362 1.00 72.05 C +HETATM 18 CD HYP A 3 -5.085 -3.240 1.712 1.00 75.34 C +HETATM 19 OD1 HYP A 3 -3.836 -4.889 0.522 1.00 77.36 O +ATOM 20 N GLY A 4 -1.737 -0.164 0.494 1.00 81.14 N +ATOM 21 CA GLY A 4 -1.440 1.234 0.352 1.00 79.25 C +ATOM 22 C GLY A 4 -2.248 1.873 -0.757 1.00 78.22 C +ATOM 23 O GLY A 4 -3.021 1.216 -1.453 1.00 75.85 O +ATOM 24 N PRO A 5 -2.063 3.167 -0.930 1.00 79.21 N +ATOM 25 CA PRO A 5 -2.816 3.895 -1.943 1.00 77.67 C +ATOM 26 C PRO A 5 -2.337 3.577 -3.351 1.00 76.90 C +ATOM 27 O PRO A 5 -1.232 3.084 -3.546 1.00 74.25 O +ATOM 28 CB PRO A 5 -2.550 5.353 -1.579 1.00 74.58 C +ATOM 29 CG PRO A 5 -1.213 5.321 -0.943 1.00 73.51 C +ATOM 30 CD PRO A 5 -1.157 4.028 -0.182 1.00 75.27 C +HETATM 31 N HYP A 6 -3.158 3.883 -4.317 1.00 75.27 N +HETATM 32 CA HYP A 6 -2.801 3.766 -5.707 1.00 77.45 C +HETATM 33 C HYP A 6 -1.637 4.620 -6.083 1.00 75.49 C +HETATM 34 O HYP A 6 -1.371 5.613 -5.403 1.00 76.56 O +HETATM 35 CB HYP A 6 -4.113 4.163 -6.405 1.00 71.61 C +HETATM 36 CG HYP A 6 -5.200 3.775 -5.422 1.00 70.41 C +HETATM 37 CD HYP A 6 -4.588 4.173 -4.122 1.00 76.35 C +HETATM 38 OD1 HYP A 6 -5.436 2.373 -5.432 1.00 71.27 O +ATOM 39 N GLY A 7 -0.921 4.271 -7.093 1.00 77.31 N +ATOM 40 CA GLY A 7 0.219 5.022 -7.541 1.00 75.56 C +ATOM 41 C GLY A 7 -0.142 6.418 -8.000 1.00 75.90 C +ATOM 42 O GLY A 7 -1.317 6.792 -8.046 1.00 74.04 O +ATOM 43 N PRO A 8 0.871 7.200 -8.360 1.00 77.60 N +ATOM 44 CA PRO A 8 0.648 8.578 -8.765 1.00 77.76 C +ATOM 45 C PRO A 8 -0.008 8.685 -10.128 1.00 78.01 C +ATOM 46 O PRO A 8 0.011 7.752 -10.926 1.00 75.59 O +ATOM 47 CB PRO A 8 2.054 9.167 -8.774 1.00 74.77 C +ATOM 48 CG PRO A 8 2.919 8.005 -9.081 1.00 74.54 C +ATOM 49 CD PRO A 8 2.272 6.828 -8.398 1.00 75.38 C +HETATM 50 N HYP A 9 -0.554 9.850 -10.384 1.00 76.28 N +HETATM 51 CA HYP A 9 -1.115 10.175 -11.653 1.00 78.29 C +HETATM 52 C HYP A 9 -0.201 9.981 -12.764 1.00 78.59 C +HETATM 53 O HYP A 9 1.002 10.030 -12.559 1.00 78.95 O +HETATM 54 CB HYP A 9 -1.739 11.486 -11.556 1.00 76.97 C +HETATM 55 CG HYP A 9 -2.020 11.622 -10.090 1.00 74.46 C +HETATM 56 CD HYP A 9 -0.884 10.876 -9.451 1.00 77.91 C +HETATM 57 OD1 HYP A 9 -3.229 10.977 -9.739 1.00 73.86 O +ATOM 58 N GLY A 10 -0.601 9.898 -13.960 1.00 78.98 N +ATOM 59 CA GLY A 10 0.205 9.784 -15.149 1.00 77.95 C +ATOM 60 C GLY A 10 0.524 8.351 -15.500 1.00 76.74 C +ATOM 61 O GLY A 10 0.609 8.011 -16.683 1.00 74.59 O +ATOM 62 N VAL A 11 0.696 7.520 -14.543 1.00 74.96 N +ATOM 63 CA VAL A 11 0.952 6.098 -14.726 1.00 75.08 C +ATOM 64 C VAL A 11 0.184 5.390 -13.624 1.00 74.04 C +ATOM 65 O VAL A 11 0.524 5.516 -12.459 1.00 71.63 O +ATOM 66 CB VAL A 11 2.448 5.759 -14.615 1.00 71.37 C +ATOM 67 CG1 VAL A 11 2.657 4.263 -14.788 1.00 66.57 C +ATOM 68 CG2 VAL A 11 3.265 6.526 -15.652 1.00 68.74 C +HETATM 69 N HYP A 12 -0.854 4.563 -14.014 1.00 75.47 N +HETATM 70 CA HYP A 12 -1.573 3.999 -12.927 1.00 74.48 C +HETATM 71 C HYP A 12 -0.715 3.052 -12.137 1.00 78.34 C +HETATM 72 O HYP A 12 -0.257 2.016 -12.697 1.00 76.59 O +HETATM 73 CB HYP A 12 -2.793 3.281 -13.495 1.00 72.71 C +HETATM 74 CG HYP A 12 -2.967 3.960 -14.825 1.00 70.20 C +HETATM 75 CD HYP A 12 -1.566 4.231 -15.276 1.00 76.38 C +HETATM 76 OD1 HYP A 12 -3.663 5.179 -14.699 1.00 72.35 O +ATOM 77 N GLY A 13 -0.395 3.420 -10.962 1.00 79.92 N +ATOM 78 CA GLY A 13 0.416 2.571 -10.134 1.00 78.57 C +ATOM 79 C GLY A 13 -0.425 1.502 -9.465 1.00 79.81 C +ATOM 80 O GLY A 13 -1.645 1.624 -9.362 1.00 78.21 O +ATOM 81 N PRO A 14 0.228 0.466 -9.004 1.00 75.43 N +ATOM 82 CA PRO A 14 -0.480 -0.572 -8.276 1.00 75.07 C +ATOM 83 C PRO A 14 -0.808 -0.093 -6.873 1.00 75.52 C +ATOM 84 O PRO A 14 -0.239 0.877 -6.383 1.00 72.69 O +ATOM 85 CB PRO A 14 0.517 -1.722 -8.244 1.00 72.01 C +ATOM 86 CG PRO A 14 1.837 -1.032 -8.215 1.00 70.02 C +ATOM 87 CD PRO A 14 1.668 0.188 -9.078 1.00 69.05 C +HETATM 88 N HYP A 15 -1.700 -0.779 -6.255 1.00 75.28 N +HETATM 89 CA HYP A 15 -1.932 -0.516 -4.862 1.00 78.55 C +HETATM 90 C HYP A 15 -0.664 -0.718 -4.088 1.00 81.15 C +HETATM 91 O HYP A 15 0.175 -1.555 -4.497 1.00 76.93 O +HETATM 92 CB HYP A 15 -3.058 -1.501 -4.525 1.00 76.59 C +HETATM 93 CG HYP A 15 -3.806 -1.623 -5.859 1.00 75.33 C +HETATM 94 CD HYP A 15 -2.666 -1.698 -6.849 1.00 78.23 C +HETATM 95 OD1 HYP A 15 -4.590 -0.484 -6.105 1.00 75.18 O +ATOM 96 N GLY A 16 -0.483 0.039 -3.090 1.00 76.84 N +ATOM 97 CA GLY A 16 0.677 -0.113 -2.264 1.00 75.19 C +ATOM 98 C GLY A 16 0.678 -1.444 -1.536 1.00 76.53 C +ATOM 99 O GLY A 16 -0.290 -2.202 -1.590 1.00 75.81 O +ATOM 100 N PRO A 17 1.772 -1.719 -0.868 1.00 72.62 N +ATOM 101 CA PRO A 17 1.863 -2.967 -0.132 1.00 73.86 C +ATOM 102 C PRO A 17 0.942 -2.964 1.071 1.00 73.42 C +ATOM 103 O PRO A 17 0.520 -1.919 1.546 1.00 70.98 O +ATOM 104 CB PRO A 17 3.324 -3.026 0.285 1.00 71.50 C +ATOM 105 CG PRO A 17 3.734 -1.603 0.352 1.00 70.29 C +ATOM 106 CD PRO A 17 2.970 -0.905 -0.727 1.00 69.53 C +HETATM 107 N HYP A 18 0.651 -4.120 1.565 1.00 73.75 N +HETATM 108 CA HYP A 18 -0.121 -4.224 2.752 1.00 77.07 C +HETATM 109 C HYP A 18 0.511 -3.484 3.884 1.00 73.95 C +HETATM 110 O HYP A 18 1.743 -3.372 3.956 1.00 77.61 O +HETATM 111 CB HYP A 18 -0.180 -5.742 2.974 1.00 73.93 C +HETATM 112 CG HYP A 18 -0.065 -6.335 1.590 1.00 73.67 C +HETATM 113 CD HYP A 18 0.934 -5.419 0.949 1.00 78.97 C +HETATM 114 OD1 HYP A 18 -1.293 -6.246 0.884 1.00 77.02 O +ATOM 115 N GLY A 19 -0.292 -2.900 4.714 1.00 77.92 N +ATOM 116 CA GLY A 19 0.202 -2.245 5.892 1.00 76.06 C +ATOM 117 C GLY A 19 0.822 -3.240 6.850 1.00 76.42 C +ATOM 118 O GLY A 19 0.792 -4.451 6.622 1.00 75.44 O +ATOM 119 N PRO A 20 1.382 -2.722 7.925 1.00 72.91 N +ATOM 120 CA PRO A 20 2.020 -3.599 8.891 1.00 73.78 C +ATOM 121 C PRO A 20 1.008 -4.464 9.614 1.00 72.81 C +ATOM 122 O PRO A 20 -0.173 -4.138 9.676 1.00 71.65 O +ATOM 123 CB PRO A 20 2.712 -2.631 9.844 1.00 71.19 C +ATOM 124 CG PRO A 20 1.910 -1.383 9.739 1.00 68.74 C +ATOM 125 CD PRO A 20 1.435 -1.324 8.320 1.00 67.99 C +HETATM 126 N HYP A 21 1.466 -5.542 10.179 1.00 78.16 N +HETATM 127 CA HYP A 21 0.616 -6.399 10.930 1.00 77.79 C +HETATM 128 C HYP A 21 0.029 -5.676 12.137 1.00 74.39 C +HETATM 129 O HYP A 21 0.652 -4.744 12.673 1.00 79.68 O +HETATM 130 CB HYP A 21 1.582 -7.496 11.396 1.00 76.72 C +HETATM 131 CG HYP A 21 2.654 -7.531 10.333 1.00 74.47 C +HETATM 132 CD HYP A 21 2.812 -6.075 9.971 1.00 80.06 C +HETATM 133 OD1 HYP A 21 2.213 -8.236 9.181 1.00 78.36 O +ATOM 134 N GLY A 22 -1.190 -5.973 12.461 1.00 75.44 N +ATOM 135 CA GLY A 22 -1.808 -5.411 13.631 1.00 73.28 C +ATOM 136 C GLY A 22 -1.143 -5.906 14.908 1.00 72.40 C +ATOM 137 O GLY A 22 -0.231 -6.735 14.873 1.00 71.13 O +ATOM 138 N PRO A 23 -1.595 -5.398 16.028 1.00 74.93 N +ATOM 139 CA PRO A 23 -1.039 -5.833 17.305 1.00 78.28 C +ATOM 140 C PRO A 23 -1.317 -7.299 17.550 1.00 77.04 C +ATOM 141 O PRO A 23 -2.309 -7.837 17.070 1.00 73.94 O +ATOM 142 CB PRO A 23 -1.768 -4.974 18.334 1.00 72.97 C +ATOM 143 CG PRO A 23 -2.380 -3.877 17.562 1.00 67.89 C +ATOM 144 CD PRO A 23 -2.649 -4.410 16.203 1.00 70.04 C +HETATM 145 N HYP A 24 -0.575 -7.949 18.336 1.00 82.39 N +HETATM 146 CA HYP A 24 -0.826 -9.329 18.639 1.00 77.31 C +HETATM 147 C HYP A 24 -2.173 -9.498 19.301 1.00 71.66 C +HETATM 148 O HYP A 24 -2.676 -8.479 19.791 1.00 76.87 O +HETATM 149 CB HYP A 24 0.287 -9.670 19.640 1.00 74.73 C +HETATM 150 CG HYP A 24 1.364 -8.665 19.402 1.00 75.80 C +HETATM 151 CD HYP A 24 0.599 -7.412 18.995 1.00 79.87 C +HETATM 152 OD1 HYP A 24 2.175 -9.088 18.322 1.00 78.18 O +HETATM 153 OXT HYP A 24 -2.683 -10.647 19.371 1.00 73.95 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_81.txt b/protein_pdb_81.txt new file mode 100644 index 0000000000000000000000000000000000000000..4cfd0e1de7b356df6fcb4cfd6085d0ffcefcab25 --- /dev/null +++ b/protein_pdb_81.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 8.249 -11.030 -5.540 1.00 90.14 N +ATOM 2 CA GLY A 1 7.237 -10.372 -6.324 1.00 91.24 C +ATOM 3 C GLY A 1 7.331 -8.868 -6.233 1.00 92.32 C +ATOM 4 O GLY A 1 8.176 -8.338 -5.512 1.00 90.62 O +ATOM 5 N PRO A 2 6.398 -8.117 -6.919 1.00 92.63 N +ATOM 6 CA PRO A 2 6.422 -6.663 -6.915 1.00 93.29 C +ATOM 7 C PRO A 2 5.927 -6.088 -5.598 1.00 93.31 C +ATOM 8 O PRO A 2 5.300 -6.767 -4.795 1.00 91.75 O +ATOM 9 CB PRO A 2 5.487 -6.299 -8.068 1.00 91.07 C +ATOM 10 CG PRO A 2 4.537 -7.436 -8.140 1.00 87.52 C +ATOM 11 CD PRO A 2 5.343 -8.647 -7.784 1.00 89.62 C +HETATM 12 N HYP A 3 6.212 -4.838 -5.420 1.00 92.25 N +HETATM 13 CA HYP A 3 5.726 -4.113 -4.249 1.00 91.35 C +HETATM 14 C HYP A 3 4.212 -4.100 -4.208 1.00 93.29 C +HETATM 15 O HYP A 3 3.560 -4.123 -5.276 1.00 94.88 O +HETATM 16 CB HYP A 3 6.281 -2.693 -4.472 1.00 91.71 C +HETATM 17 CG HYP A 3 7.520 -2.900 -5.343 1.00 88.64 C +HETATM 18 CD HYP A 3 7.078 -4.056 -6.283 1.00 91.04 C +HETATM 19 OD1 HYP A 3 8.572 -3.338 -4.537 1.00 90.33 O +ATOM 20 N GLY A 4 3.671 -4.144 -3.025 1.00 94.10 N +ATOM 21 CA GLY A 4 2.245 -4.090 -2.865 1.00 93.58 C +ATOM 22 C GLY A 4 1.687 -2.748 -3.298 1.00 93.91 C +ATOM 23 O GLY A 4 2.427 -1.802 -3.574 1.00 94.00 O +ATOM 24 N PRO A 5 0.366 -2.652 -3.350 1.00 95.10 N +ATOM 25 CA PRO A 5 -0.280 -1.409 -3.755 1.00 94.56 C +ATOM 26 C PRO A 5 -0.160 -0.342 -2.683 1.00 94.34 C +ATOM 27 O PRO A 5 0.150 -0.629 -1.532 1.00 93.46 O +ATOM 28 CB PRO A 5 -1.727 -1.828 -3.973 1.00 93.72 C +ATOM 29 CG PRO A 5 -1.917 -2.963 -3.030 1.00 92.12 C +ATOM 30 CD PRO A 5 -0.605 -3.689 -3.019 1.00 93.81 C +HETATM 31 N HYP A 6 -0.411 0.902 -3.105 1.00 93.86 N +HETATM 32 CA HYP A 6 -0.439 1.982 -2.154 1.00 95.16 C +HETATM 33 C HYP A 6 -1.439 1.751 -1.055 1.00 94.69 C +HETATM 34 O HYP A 6 -2.493 1.113 -1.316 1.00 94.12 O +HETATM 35 CB HYP A 6 -0.798 3.198 -3.030 1.00 91.66 C +HETATM 36 CG HYP A 6 -0.286 2.838 -4.410 1.00 91.14 C +HETATM 37 CD HYP A 6 -0.613 1.341 -4.487 1.00 92.75 C +HETATM 38 OD1 HYP A 6 1.098 3.014 -4.467 1.00 90.76 O +ATOM 39 N GLY A 7 -1.104 2.168 0.114 1.00 94.00 N +ATOM 40 CA GLY A 7 -2.000 2.044 1.227 1.00 93.56 C +ATOM 41 C GLY A 7 -3.251 2.882 1.039 1.00 93.92 C +ATOM 42 O GLY A 7 -3.382 3.634 0.072 1.00 93.71 O +ATOM 43 N PRO A 8 -4.178 2.753 1.972 1.00 94.00 N +ATOM 44 CA PRO A 8 -5.429 3.480 1.860 1.00 93.46 C +ATOM 45 C PRO A 8 -5.241 4.970 2.077 1.00 93.73 C +ATOM 46 O PRO A 8 -4.316 5.409 2.761 1.00 92.55 O +ATOM 47 CB PRO A 8 -6.296 2.867 2.954 1.00 91.97 C +ATOM 48 CG PRO A 8 -5.315 2.379 3.962 1.00 90.62 C +ATOM 49 CD PRO A 8 -4.115 1.938 3.175 1.00 91.92 C +HETATM 50 N HYP A 9 -6.150 5.739 1.515 1.00 92.55 N +HETATM 51 CA HYP A 9 -6.135 7.145 1.675 1.00 93.49 C +HETATM 52 C HYP A 9 -6.487 7.528 3.108 1.00 92.75 C +HETATM 53 O HYP A 9 -7.286 6.823 3.765 1.00 92.85 O +HETATM 54 CB HYP A 9 -7.301 7.620 0.731 1.00 90.12 C +HETATM 55 CG HYP A 9 -7.514 6.503 -0.225 1.00 89.49 C +HETATM 56 CD HYP A 9 -7.196 5.269 0.556 1.00 92.59 C +HETATM 57 OD1 HYP A 9 -6.582 6.636 -1.275 1.00 88.99 O +ATOM 58 N GLY A 10 -5.937 8.546 3.624 1.00 93.30 N +ATOM 59 CA GLY A 10 -6.436 9.108 4.853 1.00 91.69 C +ATOM 60 C GLY A 10 -7.794 9.729 4.612 1.00 91.21 C +ATOM 61 O GLY A 10 -8.279 9.810 3.484 1.00 89.98 O +ATOM 62 N LYS A 11 -8.422 10.186 5.693 1.00 92.39 N +ATOM 63 CA LYS A 11 -9.708 10.854 5.529 1.00 93.10 C +ATOM 64 C LYS A 11 -9.569 12.068 4.613 1.00 93.11 C +ATOM 65 O LYS A 11 -10.460 12.355 3.813 1.00 91.35 O +ATOM 66 CB LYS A 11 -10.268 11.256 6.888 1.00 91.22 C +ATOM 67 CG LYS A 11 -10.652 10.049 7.732 1.00 87.81 C +ATOM 68 CD LYS A 11 -11.186 10.443 9.084 1.00 82.18 C +ATOM 69 CE LYS A 11 -11.467 9.214 9.927 1.00 78.80 C +ATOM 70 NZ LYS A 11 -11.935 9.580 11.291 1.00 72.65 N +ATOM 71 N GLN A 12 -8.449 12.745 4.723 1.00 93.39 N +ATOM 72 CA GLN A 12 -8.035 13.820 3.828 1.00 94.09 C +ATOM 73 C GLN A 12 -6.525 13.710 3.721 1.00 94.62 C +ATOM 74 O GLN A 12 -5.803 14.253 4.557 1.00 90.19 O +ATOM 75 CB GLN A 12 -8.415 15.201 4.385 1.00 92.19 C +ATOM 76 CG GLN A 12 -9.906 15.496 4.364 1.00 86.84 C +ATOM 77 CD GLN A 12 -10.407 15.834 2.974 1.00 80.49 C +ATOM 78 OE1 GLN A 12 -11.182 15.089 2.391 1.00 73.85 O +ATOM 79 NE2 GLN A 12 -9.978 16.961 2.430 1.00 72.92 N +ATOM 80 N GLY A 13 -6.036 12.985 2.742 1.00 94.99 N +ATOM 81 CA GLY A 13 -4.604 12.815 2.647 1.00 94.26 C +ATOM 82 C GLY A 13 -4.215 11.805 1.598 1.00 94.64 C +ATOM 83 O GLY A 13 -5.063 11.116 1.039 1.00 93.98 O +ATOM 84 N PRO A 14 -2.928 11.717 1.334 1.00 94.82 N +ATOM 85 CA PRO A 14 -2.432 10.828 0.299 1.00 94.45 C +ATOM 86 C PRO A 14 -2.527 9.365 0.710 1.00 94.52 C +ATOM 87 O PRO A 14 -2.659 9.038 1.882 1.00 92.93 O +ATOM 88 CB PRO A 14 -0.984 11.254 0.116 1.00 93.28 C +ATOM 89 CG PRO A 14 -0.600 11.783 1.447 1.00 92.13 C +ATOM 90 CD PRO A 14 -1.836 12.443 1.988 1.00 93.05 C +HETATM 91 N HYP A 15 -2.426 8.559 -0.286 1.00 93.15 N +HETATM 92 CA HYP A 15 -2.341 7.115 -0.069 1.00 93.35 C +HETATM 93 C HYP A 15 -1.130 6.761 0.725 1.00 94.37 C +HETATM 94 O HYP A 15 -0.121 7.511 0.701 1.00 94.36 O +HETATM 95 CB HYP A 15 -2.330 6.592 -1.518 1.00 90.66 C +HETATM 96 CG HYP A 15 -3.004 7.674 -2.356 1.00 89.61 C +HETATM 97 CD HYP A 15 -2.520 8.953 -1.704 1.00 92.19 C +HETATM 98 OD1 HYP A 15 -4.393 7.574 -2.281 1.00 90.81 O +ATOM 99 N GLY A 16 -1.194 5.683 1.431 1.00 95.52 N +ATOM 100 CA GLY A 16 -0.041 5.183 2.129 1.00 94.95 C +ATOM 101 C GLY A 16 1.010 4.672 1.162 1.00 95.24 C +ATOM 102 O GLY A 16 0.793 4.621 -0.048 1.00 94.93 O +ATOM 103 N PRO A 17 2.157 4.301 1.703 1.00 94.33 N +ATOM 104 CA PRO A 17 3.234 3.804 0.864 1.00 93.88 C +ATOM 105 C PRO A 17 2.916 2.428 0.297 1.00 94.03 C +ATOM 106 O PRO A 17 2.049 1.719 0.805 1.00 92.30 O +ATOM 107 CB PRO A 17 4.427 3.760 1.808 1.00 92.95 C +ATOM 108 CG PRO A 17 3.811 3.547 3.147 1.00 91.25 C +ATOM 109 CD PRO A 17 2.513 4.299 3.117 1.00 93.02 C +HETATM 110 N HYP A 18 3.628 2.076 -0.763 1.00 91.38 N +HETATM 111 CA HYP A 18 3.516 0.748 -1.304 1.00 91.29 C +HETATM 112 C HYP A 18 3.834 -0.313 -0.295 1.00 92.09 C +HETATM 113 O HYP A 18 4.644 -0.063 0.625 1.00 92.87 O +HETATM 114 CB HYP A 18 4.518 0.758 -2.458 1.00 89.29 C +HETATM 115 CG HYP A 18 4.609 2.209 -2.883 1.00 88.48 C +HETATM 116 CD HYP A 18 4.499 2.940 -1.547 1.00 91.62 C +HETATM 117 OD1 HYP A 18 3.512 2.537 -3.705 1.00 89.61 O +ATOM 118 N GLY A 19 3.168 -1.405 -0.400 1.00 91.73 N +ATOM 119 CA GLY A 19 3.455 -2.521 0.456 1.00 91.49 C +ATOM 120 C GLY A 19 4.843 -3.073 0.186 1.00 91.80 C +ATOM 121 O GLY A 19 5.515 -2.687 -0.766 1.00 92.41 O +ATOM 122 N PRO A 20 5.276 -3.984 1.038 1.00 90.02 N +ATOM 123 CA PRO A 20 6.584 -4.581 0.860 1.00 89.89 C +ATOM 124 C PRO A 20 6.627 -5.471 -0.366 1.00 90.00 C +ATOM 125 O PRO A 20 5.598 -5.911 -0.873 1.00 89.71 O +ATOM 126 CB PRO A 20 6.780 -5.389 2.147 1.00 88.65 C +ATOM 127 CG PRO A 20 5.394 -5.719 2.569 1.00 85.70 C +ATOM 128 CD PRO A 20 4.559 -4.531 2.180 1.00 87.48 C +HETATM 129 N HYP A 21 7.835 -5.724 -0.822 1.00 90.25 N +HETATM 130 CA HYP A 21 8.005 -6.634 -1.924 1.00 88.89 C +HETATM 131 C HYP A 21 7.427 -7.997 -1.647 1.00 89.28 C +HETATM 132 O HYP A 21 7.447 -8.440 -0.491 1.00 93.49 O +HETATM 133 CB HYP A 21 9.514 -6.699 -2.117 1.00 88.93 C +HETATM 134 CG HYP A 21 10.049 -5.405 -1.544 1.00 86.00 C +HETATM 135 CD HYP A 21 9.120 -5.143 -0.363 1.00 90.98 C +HETATM 136 OD1 HYP A 21 9.858 -4.350 -2.500 1.00 86.78 O +ATOM 137 N GLY A 22 6.804 -8.579 -2.628 1.00 90.64 N +ATOM 138 CA GLY A 22 6.309 -9.918 -2.496 1.00 88.26 C +ATOM 139 C GLY A 22 7.455 -10.913 -2.382 1.00 88.10 C +ATOM 140 O GLY A 22 8.630 -10.545 -2.483 1.00 88.08 O +ATOM 141 N PRO A 23 7.137 -12.176 -2.185 1.00 92.14 N +ATOM 142 CA PRO A 23 8.183 -13.188 -2.101 1.00 91.57 C +ATOM 143 C PRO A 23 8.897 -13.321 -3.433 1.00 90.40 C +ATOM 144 O PRO A 23 8.286 -13.215 -4.492 1.00 87.00 O +ATOM 145 CB PRO A 23 7.424 -14.457 -1.736 1.00 89.16 C +ATOM 146 CG PRO A 23 6.051 -14.224 -2.241 1.00 86.07 C +ATOM 147 CD PRO A 23 5.806 -12.743 -2.094 1.00 88.64 C +HETATM 148 N HYP A 24 10.112 -13.478 -3.437 1.00 91.75 N +HETATM 149 CA HYP A 24 10.856 -13.429 -4.724 1.00 85.74 C +HETATM 150 C HYP A 24 10.209 -12.716 -5.797 1.00 90.17 C +HETATM 151 O HYP A 24 10.817 -11.770 -6.423 1.00 88.95 O +HETATM 152 CB HYP A 24 11.955 -14.291 -4.645 1.00 88.02 C +HETATM 153 CG HYP A 24 12.070 -14.714 -3.165 1.00 86.75 C +HETATM 154 CD HYP A 24 10.735 -14.335 -2.506 1.00 90.41 C +HETATM 155 OD1 HYP A 24 13.077 -13.953 -2.498 1.00 87.54 O +HETATM 156 OXT HYP A 24 9.192 -13.262 -6.335 1.00 85.95 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_82.txt b/protein_pdb_82.txt new file mode 100644 index 0000000000000000000000000000000000000000..e96f6eacb22aa1302e28abba8d86503766e7c72e --- /dev/null +++ b/protein_pdb_82.txt @@ -0,0 +1,158 @@ +ATOM 1 N GLY A 1 -28.519 -6.490 24.161 1.00 89.44 N +ATOM 2 CA GLY A 1 -27.158 -6.967 24.378 1.00 92.04 C +ATOM 3 C GLY A 1 -26.145 -5.925 23.971 1.00 92.42 C +ATOM 4 O GLY A 1 -26.498 -4.922 23.352 1.00 89.50 O +ATOM 5 N PRO A 2 -24.893 -6.128 24.307 1.00 93.73 N +ATOM 6 CA PRO A 2 -23.850 -5.163 23.949 1.00 94.69 C +ATOM 7 C PRO A 2 -23.613 -5.124 22.450 1.00 94.71 C +ATOM 8 O PRO A 2 -23.898 -6.079 21.738 1.00 93.39 O +ATOM 9 CB PRO A 2 -22.614 -5.672 24.697 1.00 92.49 C +ATOM 10 CG PRO A 2 -22.853 -7.134 24.804 1.00 88.94 C +ATOM 11 CD PRO A 2 -24.338 -7.274 25.034 1.00 90.85 C +HETATM 12 N HYP A 3 -23.159 -4.040 21.982 1.00 92.15 N +HETATM 13 CA HYP A 3 -22.743 -3.878 20.577 1.00 92.05 C +HETATM 14 C HYP A 3 -21.729 -4.945 20.165 1.00 91.09 C +HETATM 15 O HYP A 3 -20.908 -5.421 20.993 1.00 93.94 O +HETATM 16 CB HYP A 3 -22.133 -2.474 20.585 1.00 91.98 C +HETATM 17 CG HYP A 3 -22.804 -1.779 21.701 1.00 89.70 C +HETATM 18 CD HYP A 3 -22.922 -2.857 22.765 1.00 93.31 C +HETATM 19 OD1 HYP A 3 -24.089 -1.329 21.353 1.00 92.51 O +ATOM 20 N GLY A 4 -21.790 -5.323 18.886 1.00 95.40 N +ATOM 21 CA GLY A 4 -20.841 -6.270 18.351 1.00 95.28 C +ATOM 22 C GLY A 4 -19.456 -5.650 18.274 1.00 95.31 C +ATOM 23 O GLY A 4 -19.286 -4.448 18.482 1.00 94.91 O +ATOM 24 N PRO A 5 -18.459 -6.457 17.955 1.00 96.00 N +ATOM 25 CA PRO A 5 -17.090 -5.950 17.864 1.00 95.96 C +ATOM 26 C PRO A 5 -16.918 -5.026 16.665 1.00 96.14 C +ATOM 27 O PRO A 5 -17.689 -5.074 15.710 1.00 95.64 O +ATOM 28 CB PRO A 5 -16.250 -7.217 17.722 1.00 94.78 C +ATOM 29 CG PRO A 5 -17.185 -8.177 17.066 1.00 92.66 C +ATOM 30 CD PRO A 5 -18.532 -7.883 17.672 1.00 94.31 C +HETATM 31 N HYP A 6 -15.932 -4.178 16.723 1.00 92.66 N +HETATM 32 CA HYP A 6 -15.581 -3.330 15.578 1.00 94.96 C +HETATM 33 C HYP A 6 -15.264 -4.131 14.340 1.00 92.69 C +HETATM 34 O HYP A 6 -14.717 -5.270 14.427 1.00 93.80 O +HETATM 35 CB HYP A 6 -14.317 -2.570 16.112 1.00 92.33 C +HETATM 36 CG HYP A 6 -14.513 -2.552 17.593 1.00 89.44 C +HETATM 37 CD HYP A 6 -15.130 -3.910 17.879 1.00 91.85 C +HETATM 38 OD1 HYP A 6 -15.405 -1.533 17.977 1.00 91.35 O +ATOM 39 N GLY A 7 -15.606 -3.550 13.166 1.00 95.90 N +ATOM 40 CA GLY A 7 -15.312 -4.190 11.907 1.00 95.46 C +ATOM 41 C GLY A 7 -13.813 -4.240 11.662 1.00 95.72 C +ATOM 42 O GLY A 7 -13.034 -3.623 12.387 1.00 95.47 O +ATOM 43 N PRO A 8 -13.409 -4.956 10.633 1.00 94.70 N +ATOM 44 CA PRO A 8 -11.989 -5.070 10.325 1.00 94.76 C +ATOM 45 C PRO A 8 -11.428 -3.770 9.762 1.00 94.93 C +ATOM 46 O PRO A 8 -12.163 -2.955 9.214 1.00 94.05 O +ATOM 47 CB PRO A 8 -11.943 -6.192 9.291 1.00 93.13 C +ATOM 48 CG PRO A 8 -13.265 -6.072 8.609 1.00 91.55 C +ATOM 49 CD PRO A 8 -14.231 -5.712 9.711 1.00 92.84 C +HETATM 50 N HYP A 9 -10.167 -3.576 9.864 1.00 92.15 N +HETATM 51 CA HYP A 9 -9.475 -2.436 9.277 1.00 93.89 C +HETATM 52 C HYP A 9 -9.581 -2.422 7.783 1.00 91.25 C +HETATM 53 O HYP A 9 -9.609 -3.478 7.132 1.00 92.63 O +HETATM 54 CB HYP A 9 -7.974 -2.650 9.710 1.00 92.78 C +HETATM 55 CG HYP A 9 -8.106 -3.416 10.983 1.00 91.07 C +HETATM 56 CD HYP A 9 -9.266 -4.353 10.704 1.00 92.49 C +HETATM 57 OD1 HYP A 9 -8.440 -2.573 12.058 1.00 90.93 O +ATOM 58 N GLY A 10 -9.608 -1.215 7.206 1.00 93.90 N +ATOM 59 CA GLY A 10 -9.630 -1.087 5.775 1.00 92.39 C +ATOM 60 C GLY A 10 -8.340 -1.608 5.176 1.00 92.55 C +ATOM 61 O GLY A 10 -7.323 -1.749 5.855 1.00 92.03 O +ATOM 62 N ARG A 11 -8.379 -1.888 3.872 1.00 93.89 N +ATOM 63 CA ARG A 11 -7.188 -2.403 3.212 1.00 93.78 C +ATOM 64 C ARG A 11 -6.124 -1.327 3.098 1.00 93.46 C +ATOM 65 O ARG A 11 -6.428 -0.139 3.089 1.00 92.74 O +ATOM 66 CB ARG A 11 -7.545 -2.952 1.823 1.00 90.73 C +ATOM 67 CG ARG A 11 -7.849 -1.886 0.796 1.00 85.04 C +ATOM 68 CD ARG A 11 -8.215 -2.506 -0.541 1.00 82.21 C +ATOM 69 NE ARG A 11 -7.145 -3.305 -1.109 1.00 78.63 N +ATOM 70 CZ ARG A 11 -6.147 -2.845 -1.843 1.00 74.89 C +ATOM 71 NH1 ARG A 11 -6.045 -1.552 -2.122 1.00 72.08 N +ATOM 72 NH2 ARG A 11 -5.222 -3.663 -2.314 1.00 71.41 N +ATOM 73 N PRO A 12 -4.844 -1.732 3.004 1.00 93.29 N +ATOM 74 CA PRO A 12 -3.776 -0.744 2.835 1.00 92.81 C +ATOM 75 C PRO A 12 -3.984 0.061 1.564 1.00 92.87 C +ATOM 76 O PRO A 12 -4.604 -0.414 0.605 1.00 91.02 O +ATOM 77 CB PRO A 12 -2.502 -1.586 2.760 1.00 91.18 C +ATOM 78 CG PRO A 12 -2.845 -2.812 3.546 1.00 89.67 C +ATOM 79 CD PRO A 12 -4.281 -3.084 3.187 1.00 90.04 C +ATOM 80 N GLY A 13 -3.478 1.289 1.576 1.00 94.39 N +ATOM 81 CA GLY A 13 -3.580 2.135 0.404 1.00 93.16 C +ATOM 82 C GLY A 13 -2.738 1.609 -0.741 1.00 94.05 C +ATOM 83 O GLY A 13 -1.959 0.673 -0.571 1.00 94.25 O +ATOM 84 N PRO A 14 -2.882 2.209 -1.930 1.00 94.12 N +ATOM 85 CA PRO A 14 -2.125 1.764 -3.094 1.00 94.55 C +ATOM 86 C PRO A 14 -0.654 2.133 -2.993 1.00 94.62 C +ATOM 87 O PRO A 14 -0.282 3.033 -2.245 1.00 94.01 O +ATOM 88 CB PRO A 14 -2.805 2.493 -4.255 1.00 93.27 C +ATOM 89 CG PRO A 14 -3.304 3.749 -3.619 1.00 91.36 C +ATOM 90 CD PRO A 14 -3.769 3.324 -2.251 1.00 92.49 C +HETATM 91 N HYP A 15 0.192 1.460 -3.762 1.00 88.95 N +HETATM 92 CA HYP A 15 1.592 1.780 -3.846 1.00 92.65 C +HETATM 93 C HYP A 15 1.855 3.204 -4.350 1.00 91.27 C +HETATM 94 O HYP A 15 1.041 3.720 -5.144 1.00 89.64 O +HETATM 95 CB HYP A 15 2.093 0.749 -4.876 1.00 90.10 C +HETATM 96 CG HYP A 15 1.134 -0.408 -4.712 1.00 84.61 C +HETATM 97 CD HYP A 15 -0.172 0.273 -4.498 1.00 89.48 C +HETATM 98 OD1 HYP A 15 1.443 -1.192 -3.607 1.00 90.75 O +ATOM 99 N GLY A 16 2.877 3.803 -3.841 1.00 95.82 N +ATOM 100 CA GLY A 16 3.244 5.110 -4.314 1.00 94.95 C +ATOM 101 C GLY A 16 3.760 5.020 -5.742 1.00 95.44 C +ATOM 102 O GLY A 16 3.995 3.934 -6.269 1.00 95.61 O +ATOM 103 N PRO A 17 3.938 6.181 -6.381 1.00 94.13 N +ATOM 104 CA PRO A 17 4.420 6.189 -7.762 1.00 93.88 C +ATOM 105 C PRO A 17 5.884 5.780 -7.849 1.00 94.13 C +ATOM 106 O PRO A 17 6.629 5.881 -6.882 1.00 93.66 O +ATOM 107 CB PRO A 17 4.219 7.644 -8.191 1.00 92.29 C +ATOM 108 CG PRO A 17 4.357 8.399 -6.915 1.00 89.77 C +ATOM 109 CD PRO A 17 3.692 7.532 -5.877 1.00 91.74 C +HETATM 110 N HYP A 18 6.310 5.319 -9.028 1.00 91.78 N +HETATM 111 CA HYP A 18 7.703 5.013 -9.260 1.00 93.89 C +HETATM 112 C HYP A 18 8.605 6.248 -9.119 1.00 93.09 C +HETATM 113 O HYP A 18 8.188 7.379 -9.457 1.00 93.68 O +HETATM 114 CB HYP A 18 7.710 4.521 -10.714 1.00 92.97 C +HETATM 115 CG HYP A 18 6.345 3.978 -10.916 1.00 90.72 C +HETATM 116 CD HYP A 18 5.483 4.919 -10.133 1.00 91.33 C +HETATM 117 OD1 HYP A 18 6.227 2.689 -10.401 1.00 92.27 O +ATOM 118 N GLY A 19 9.791 6.043 -8.588 1.00 94.73 N +ATOM 119 CA GLY A 19 10.738 7.118 -8.459 1.00 94.29 C +ATOM 120 C GLY A 19 11.242 7.538 -9.829 1.00 94.60 C +ATOM 121 O GLY A 19 11.001 6.864 -10.832 1.00 94.40 O +ATOM 122 N PRO A 20 11.961 8.653 -9.881 1.00 91.42 N +ATOM 123 CA PRO A 20 12.487 9.125 -11.158 1.00 90.99 C +ATOM 124 C PRO A 20 13.652 8.260 -11.625 1.00 90.70 C +ATOM 125 O PRO A 20 14.269 7.556 -10.836 1.00 90.39 O +ATOM 126 CB PRO A 20 12.939 10.553 -10.833 1.00 88.45 C +ATOM 127 CG PRO A 20 13.311 10.476 -9.391 1.00 85.27 C +ATOM 128 CD PRO A 20 12.293 9.554 -8.776 1.00 87.74 C +HETATM 129 N HYP A 21 13.975 8.302 -12.941 1.00 94.65 N +HETATM 130 CA HYP A 21 15.119 7.598 -13.448 1.00 93.49 C +HETATM 131 C HYP A 21 16.435 8.046 -12.837 1.00 95.58 C +HETATM 132 O HYP A 21 16.566 9.215 -12.476 1.00 94.87 O +HETATM 133 CB HYP A 21 15.108 8.013 -14.951 1.00 93.84 C +HETATM 134 CG HYP A 21 13.684 8.292 -15.256 1.00 92.93 C +HETATM 135 CD HYP A 21 13.195 8.940 -13.987 1.00 93.86 C +HETATM 136 OD1 HYP A 21 12.983 7.104 -15.484 1.00 92.98 O +ATOM 137 N GLY A 22 17.381 7.153 -12.670 1.00 92.74 N +ATOM 138 CA GLY A 22 18.674 7.492 -12.151 1.00 92.36 C +ATOM 139 C GLY A 22 19.416 8.385 -13.138 1.00 92.80 C +ATOM 140 O GLY A 22 18.976 8.572 -14.271 1.00 92.14 O +ATOM 141 N PRO A 23 20.565 8.935 -12.741 1.00 93.24 N +ATOM 142 CA PRO A 23 21.317 9.809 -13.627 1.00 93.17 C +ATOM 143 C PRO A 23 21.901 9.039 -14.799 1.00 93.10 C +ATOM 144 O PRO A 23 22.194 7.851 -14.689 1.00 90.94 O +ATOM 145 CB PRO A 23 22.406 10.377 -12.719 1.00 90.31 C +ATOM 146 CG PRO A 23 22.590 9.320 -11.687 1.00 87.12 C +ATOM 147 CD PRO A 23 21.209 8.775 -11.445 1.00 90.70 C +HETATM 148 N HYP A 24 22.136 9.699 -15.951 1.00 94.75 N +HETATM 149 CA HYP A 24 22.713 9.006 -17.060 1.00 93.24 C +HETATM 150 C HYP A 24 24.147 8.552 -16.786 1.00 94.37 C +HETATM 151 O HYP A 24 24.779 9.173 -15.931 1.00 93.52 O +HETATM 152 CB HYP A 24 22.772 10.127 -18.211 1.00 94.16 C +HETATM 153 CG HYP A 24 21.761 11.156 -17.797 1.00 93.55 C +HETATM 154 CD HYP A 24 21.748 11.075 -16.249 1.00 93.65 C +HETATM 155 OD1 HYP A 24 20.493 10.749 -18.254 1.00 90.94 O +HETATM 156 OXT HYP A 24 24.594 7.612 -17.473 1.00 90.27 O +TER 157 HYP A 24 +END diff --git a/protein_pdb_83.txt b/protein_pdb_83.txt new file mode 100644 index 0000000000000000000000000000000000000000..066c7dbf4cb3c8b617a79e647e0748f883d67990 --- /dev/null +++ b/protein_pdb_83.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 2.439 -10.535 9.032 1.00 76.81 N +ATOM 2 CA GLY A 1 1.958 -9.278 9.575 1.00 80.84 C +ATOM 3 C GLY A 1 0.880 -8.683 8.708 1.00 81.63 C +ATOM 4 O GLY A 1 0.537 -9.236 7.666 1.00 79.97 O +ATOM 5 N PRO A 2 0.356 -7.556 9.124 1.00 79.41 N +ATOM 6 CA PRO A 2 -0.725 -6.933 8.375 1.00 82.89 C +ATOM 7 C PRO A 2 -0.238 -6.314 7.076 1.00 82.83 C +ATOM 8 O PRO A 2 0.939 -6.034 6.906 1.00 83.01 O +ATOM 9 CB PRO A 2 -1.242 -5.859 9.333 1.00 79.52 C +ATOM 10 CG PRO A 2 -0.071 -5.525 10.171 1.00 73.14 C +ATOM 11 CD PRO A 2 0.722 -6.786 10.315 1.00 73.82 C +HETATM 12 N HYP A 3 -1.127 -6.134 6.209 1.00 83.67 N +HETATM 13 CA HYP A 3 -0.870 -5.428 4.951 1.00 84.25 C +HETATM 14 C HYP A 3 -0.331 -4.056 5.164 1.00 83.55 C +HETATM 15 O HYP A 3 -0.645 -3.383 6.198 1.00 86.73 O +HETATM 16 CB HYP A 3 -2.283 -5.425 4.324 1.00 82.93 C +HETATM 17 CG HYP A 3 -2.962 -6.644 4.901 1.00 76.98 C +HETATM 18 CD HYP A 3 -2.477 -6.631 6.354 1.00 81.45 C +HETATM 19 OD1 HYP A 3 -2.501 -7.801 4.270 1.00 81.84 O +ATOM 20 N GLY A 4 0.509 -3.620 4.287 1.00 86.20 N +ATOM 21 CA GLY A 4 1.008 -2.275 4.331 1.00 84.75 C +ATOM 22 C GLY A 4 -0.081 -1.265 4.008 1.00 84.34 C +ATOM 23 O GLY A 4 -1.212 -1.622 3.682 1.00 84.02 O +ATOM 24 N PRO A 5 0.272 0.009 4.085 1.00 85.40 N +ATOM 25 CA PRO A 5 -0.689 1.057 3.783 1.00 84.78 C +ATOM 26 C PRO A 5 -0.977 1.123 2.292 1.00 84.31 C +ATOM 27 O PRO A 5 -0.227 0.610 1.477 1.00 82.68 O +ATOM 28 CB PRO A 5 0.009 2.319 4.273 1.00 81.93 C +ATOM 29 CG PRO A 5 1.454 2.013 4.126 1.00 79.53 C +ATOM 30 CD PRO A 5 1.595 0.550 4.420 1.00 81.96 C +HETATM 31 N HYP A 6 -2.071 1.772 1.962 1.00 83.29 N +HETATM 32 CA HYP A 6 -2.385 2.021 0.563 1.00 88.75 C +HETATM 33 C HYP A 6 -1.289 2.733 -0.146 1.00 86.66 C +HETATM 34 O HYP A 6 -0.552 3.556 0.452 1.00 86.09 O +HETATM 35 CB HYP A 6 -3.674 2.859 0.709 1.00 83.27 C +HETATM 36 CG HYP A 6 -4.291 2.416 2.022 1.00 79.22 C +HETATM 37 CD HYP A 6 -3.082 2.244 2.900 1.00 83.90 C +HETATM 38 OD1 HYP A 6 -4.943 1.180 1.862 1.00 83.83 O +ATOM 39 N GLY A 7 -1.052 2.366 -1.370 1.00 86.21 N +ATOM 40 CA GLY A 7 -0.055 3.008 -2.176 1.00 83.26 C +ATOM 41 C GLY A 7 -0.413 4.452 -2.461 1.00 83.12 C +ATOM 42 O GLY A 7 -1.475 4.940 -2.083 1.00 81.90 O +ATOM 43 N PRO A 8 0.492 5.145 -3.144 1.00 85.72 N +ATOM 44 CA PRO A 8 0.226 6.538 -3.477 1.00 84.96 C +ATOM 45 C PRO A 8 -0.865 6.649 -4.526 1.00 84.81 C +ATOM 46 O PRO A 8 -1.178 5.700 -5.227 1.00 82.70 O +ATOM 47 CB PRO A 8 1.567 7.028 -4.017 1.00 81.81 C +ATOM 48 CG PRO A 8 2.203 5.810 -4.567 1.00 81.38 C +ATOM 49 CD PRO A 8 1.768 4.679 -3.675 1.00 82.84 C +HETATM 50 N HYP A 9 -1.408 7.843 -4.632 1.00 81.97 N +HETATM 51 CA HYP A 9 -2.399 8.093 -5.620 1.00 86.79 C +HETATM 52 C HYP A 9 -1.888 7.894 -7.005 1.00 85.05 C +HETATM 53 O HYP A 9 -0.732 8.162 -7.308 1.00 84.24 O +HETATM 54 CB HYP A 9 -2.664 9.610 -5.365 1.00 80.74 C +HETATM 55 CG HYP A 9 -2.386 9.801 -3.901 1.00 77.93 C +HETATM 56 CD HYP A 9 -1.182 8.943 -3.687 1.00 83.46 C +HETATM 57 OD1 HYP A 9 -3.440 9.305 -3.113 1.00 79.22 O +ATOM 58 N GLY A 10 -2.722 7.265 -7.837 1.00 83.96 N +ATOM 59 CA GLY A 10 -2.391 7.097 -9.225 1.00 81.77 C +ATOM 60 C GLY A 10 -2.392 8.433 -9.934 1.00 82.65 C +ATOM 61 O GLY A 10 -2.616 9.486 -9.334 1.00 80.36 O +ATOM 62 N MET A 11 -2.146 8.392 -11.242 1.00 86.84 N +ATOM 63 CA MET A 11 -2.164 9.595 -12.051 1.00 88.26 C +ATOM 64 C MET A 11 -3.584 10.136 -12.096 1.00 87.33 C +ATOM 65 O MET A 11 -4.465 9.543 -12.719 1.00 84.34 O +ATOM 66 CB MET A 11 -1.666 9.293 -13.459 1.00 85.72 C +ATOM 67 CG MET A 11 -0.166 9.075 -13.526 1.00 80.04 C +ATOM 68 SD MET A 11 0.735 10.583 -13.222 1.00 77.12 S +ATOM 69 CE MET A 11 2.410 9.986 -13.309 1.00 70.71 C +HETATM 70 N HYP A 12 -3.868 11.275 -11.500 1.00 76.40 N +HETATM 71 CA HYP A 12 -5.133 11.601 -11.054 1.00 77.81 C +HETATM 72 C HYP A 12 -6.042 10.550 -10.719 1.00 84.58 C +HETATM 73 O HYP A 12 -7.172 10.397 -11.168 1.00 84.12 O +HETATM 74 CB HYP A 12 -5.514 12.933 -11.550 1.00 75.12 C +HETATM 75 CG HYP A 12 -4.133 13.545 -11.945 1.00 73.03 C +HETATM 76 CD HYP A 12 -3.309 12.351 -12.204 1.00 76.41 C +HETATM 77 OD1 HYP A 12 -3.552 14.249 -10.900 1.00 77.48 O +ATOM 78 N GLY A 13 -5.535 9.627 -9.897 1.00 84.91 N +ATOM 79 CA GLY A 13 -6.248 8.417 -9.565 1.00 83.09 C +ATOM 80 C GLY A 13 -6.315 8.172 -8.071 1.00 83.34 C +ATOM 81 O GLY A 13 -5.749 8.917 -7.275 1.00 82.79 O +ATOM 82 N PRO A 14 -7.017 7.121 -7.695 1.00 82.63 N +ATOM 83 CA PRO A 14 -7.186 6.781 -6.295 1.00 82.87 C +ATOM 84 C PRO A 14 -5.916 6.190 -5.709 1.00 81.81 C +ATOM 85 O PRO A 14 -4.972 5.869 -6.427 1.00 79.80 O +ATOM 86 CB PRO A 14 -8.309 5.749 -6.322 1.00 80.21 C +ATOM 87 CG PRO A 14 -8.142 5.083 -7.638 1.00 78.21 C +ATOM 88 CD PRO A 14 -7.669 6.156 -8.571 1.00 78.27 C +HETATM 89 N HYP A 15 -5.964 6.047 -4.422 1.00 82.57 N +HETATM 90 CA HYP A 15 -4.834 5.414 -3.764 1.00 88.56 C +HETATM 91 C HYP A 15 -4.563 4.058 -4.309 1.00 85.08 C +HETATM 92 O HYP A 15 -5.483 3.371 -4.788 1.00 86.22 O +HETATM 93 CB HYP A 15 -5.373 5.365 -2.298 1.00 82.61 C +HETATM 94 CG HYP A 15 -6.331 6.536 -2.207 1.00 79.49 C +HETATM 95 CD HYP A 15 -7.028 6.485 -3.566 1.00 82.75 C +HETATM 96 OD1 HYP A 15 -5.625 7.741 -2.080 1.00 83.63 O +ATOM 97 N GLY A 16 -3.322 3.707 -4.318 1.00 85.13 N +ATOM 98 CA GLY A 16 -2.944 2.394 -4.766 1.00 83.35 C +ATOM 99 C GLY A 16 -3.433 1.318 -3.815 1.00 84.34 C +ATOM 100 O GLY A 16 -4.031 1.601 -2.772 1.00 84.33 O +ATOM 101 N PRO A 17 -3.177 0.078 -4.188 1.00 86.21 N +ATOM 102 CA PRO A 17 -3.591 -1.027 -3.338 1.00 85.95 C +ATOM 103 C PRO A 17 -2.766 -1.087 -2.067 1.00 86.33 C +ATOM 104 O PRO A 17 -1.694 -0.498 -1.978 1.00 84.70 O +ATOM 105 CB PRO A 17 -3.348 -2.251 -4.218 1.00 83.37 C +ATOM 106 CG PRO A 17 -2.250 -1.835 -5.122 1.00 82.50 C +ATOM 107 CD PRO A 17 -2.454 -0.373 -5.369 1.00 83.98 C +HETATM 108 N HYP A 18 -3.243 -1.777 -1.105 1.00 87.49 N +HETATM 109 CA HYP A 18 -2.497 -2.012 0.095 1.00 92.46 C +HETATM 110 C HYP A 18 -1.150 -2.558 -0.201 1.00 90.47 C +HETATM 111 O HYP A 18 -0.968 -3.310 -1.186 1.00 89.69 O +HETATM 112 CB HYP A 18 -3.404 -2.963 0.837 1.00 87.76 C +HETATM 113 CG HYP A 18 -4.797 -2.632 0.371 1.00 84.70 C +HETATM 114 CD HYP A 18 -4.580 -2.366 -1.103 1.00 88.52 C +HETATM 115 OD1 HYP A 18 -5.256 -1.447 0.988 1.00 86.87 O +ATOM 116 N GLY A 19 -0.201 -2.175 0.584 1.00 88.14 N +ATOM 117 CA GLY A 19 1.126 -2.705 0.451 1.00 87.57 C +ATOM 118 C GLY A 19 1.173 -4.182 0.801 1.00 88.24 C +ATOM 119 O GLY A 19 0.176 -4.782 1.201 1.00 88.10 O +ATOM 120 N PRO A 20 2.338 -4.760 0.642 1.00 85.10 N +ATOM 121 CA PRO A 20 2.475 -6.175 0.946 1.00 84.37 C +ATOM 122 C PRO A 20 2.381 -6.431 2.438 1.00 84.04 C +ATOM 123 O PRO A 20 2.543 -5.523 3.249 1.00 83.43 O +ATOM 124 CB PRO A 20 3.867 -6.516 0.409 1.00 81.36 C +ATOM 125 CG PRO A 20 4.600 -5.232 0.467 1.00 78.90 C +ATOM 126 CD PRO A 20 3.593 -4.162 0.207 1.00 80.64 C +HETATM 127 N HYP A 21 2.136 -7.644 2.809 1.00 87.96 N +HETATM 128 CA HYP A 21 2.079 -8.029 4.154 1.00 89.39 C +HETATM 129 C HYP A 21 3.361 -7.750 4.905 1.00 87.35 C +HETATM 130 O HYP A 21 4.438 -7.825 4.298 1.00 88.52 O +HETATM 131 CB HYP A 21 1.782 -9.497 4.089 1.00 85.73 C +HETATM 132 CG HYP A 21 1.037 -9.661 2.803 1.00 82.53 C +HETATM 133 CD HYP A 21 1.727 -8.700 1.893 1.00 88.11 C +HETATM 134 OD1 HYP A 21 -0.314 -9.252 2.941 1.00 85.62 O +ATOM 135 N GLY A 22 3.255 -7.308 6.102 1.00 85.34 N +ATOM 136 CA GLY A 22 4.404 -7.088 6.934 1.00 83.55 C +ATOM 137 C GLY A 22 5.065 -8.401 7.320 1.00 83.74 C +ATOM 138 O GLY A 22 4.689 -9.470 6.840 1.00 82.87 O +ATOM 139 N PRO A 23 6.045 -8.323 8.200 1.00 82.30 N +ATOM 140 CA PRO A 23 6.713 -9.542 8.631 1.00 83.55 C +ATOM 141 C PRO A 23 5.748 -10.450 9.368 1.00 82.20 C +ATOM 142 O PRO A 23 4.775 -9.991 9.956 1.00 78.88 O +ATOM 143 CB PRO A 23 7.817 -9.058 9.564 1.00 78.61 C +ATOM 144 CG PRO A 23 7.646 -7.613 9.714 1.00 75.29 C +ATOM 145 CD PRO A 23 6.522 -7.136 8.875 1.00 77.88 C +HETATM 146 N HYP A 24 5.971 -11.677 9.422 1.00 85.47 N +HETATM 147 CA HYP A 24 5.044 -12.567 10.056 1.00 78.73 C +HETATM 148 C HYP A 24 4.256 -11.991 11.157 1.00 79.45 C +HETATM 149 O HYP A 24 4.891 -11.231 11.935 1.00 78.37 O +HETATM 150 CB HYP A 24 5.815 -13.806 10.281 1.00 82.01 C +HETATM 151 CG HYP A 24 6.985 -13.702 9.327 1.00 78.74 C +HETATM 152 CD HYP A 24 7.250 -12.214 9.202 1.00 84.31 C +HETATM 153 OD1 HYP A 24 6.624 -14.167 8.031 1.00 82.85 O +HETATM 154 OXT HYP A 24 3.044 -12.328 11.257 1.00 74.27 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_84.txt b/protein_pdb_84.txt new file mode 100644 index 0000000000000000000000000000000000000000..066c7dbf4cb3c8b617a79e647e0748f883d67990 --- /dev/null +++ b/protein_pdb_84.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 2.439 -10.535 9.032 1.00 76.81 N +ATOM 2 CA GLY A 1 1.958 -9.278 9.575 1.00 80.84 C +ATOM 3 C GLY A 1 0.880 -8.683 8.708 1.00 81.63 C +ATOM 4 O GLY A 1 0.537 -9.236 7.666 1.00 79.97 O +ATOM 5 N PRO A 2 0.356 -7.556 9.124 1.00 79.41 N +ATOM 6 CA PRO A 2 -0.725 -6.933 8.375 1.00 82.89 C +ATOM 7 C PRO A 2 -0.238 -6.314 7.076 1.00 82.83 C +ATOM 8 O PRO A 2 0.939 -6.034 6.906 1.00 83.01 O +ATOM 9 CB PRO A 2 -1.242 -5.859 9.333 1.00 79.52 C +ATOM 10 CG PRO A 2 -0.071 -5.525 10.171 1.00 73.14 C +ATOM 11 CD PRO A 2 0.722 -6.786 10.315 1.00 73.82 C +HETATM 12 N HYP A 3 -1.127 -6.134 6.209 1.00 83.67 N +HETATM 13 CA HYP A 3 -0.870 -5.428 4.951 1.00 84.25 C +HETATM 14 C HYP A 3 -0.331 -4.056 5.164 1.00 83.55 C +HETATM 15 O HYP A 3 -0.645 -3.383 6.198 1.00 86.73 O +HETATM 16 CB HYP A 3 -2.283 -5.425 4.324 1.00 82.93 C +HETATM 17 CG HYP A 3 -2.962 -6.644 4.901 1.00 76.98 C +HETATM 18 CD HYP A 3 -2.477 -6.631 6.354 1.00 81.45 C +HETATM 19 OD1 HYP A 3 -2.501 -7.801 4.270 1.00 81.84 O +ATOM 20 N GLY A 4 0.509 -3.620 4.287 1.00 86.20 N +ATOM 21 CA GLY A 4 1.008 -2.275 4.331 1.00 84.75 C +ATOM 22 C GLY A 4 -0.081 -1.265 4.008 1.00 84.34 C +ATOM 23 O GLY A 4 -1.212 -1.622 3.682 1.00 84.02 O +ATOM 24 N PRO A 5 0.272 0.009 4.085 1.00 85.40 N +ATOM 25 CA PRO A 5 -0.689 1.057 3.783 1.00 84.78 C +ATOM 26 C PRO A 5 -0.977 1.123 2.292 1.00 84.31 C +ATOM 27 O PRO A 5 -0.227 0.610 1.477 1.00 82.68 O +ATOM 28 CB PRO A 5 0.009 2.319 4.273 1.00 81.93 C +ATOM 29 CG PRO A 5 1.454 2.013 4.126 1.00 79.53 C +ATOM 30 CD PRO A 5 1.595 0.550 4.420 1.00 81.96 C +HETATM 31 N HYP A 6 -2.071 1.772 1.962 1.00 83.29 N +HETATM 32 CA HYP A 6 -2.385 2.021 0.563 1.00 88.75 C +HETATM 33 C HYP A 6 -1.289 2.733 -0.146 1.00 86.66 C +HETATM 34 O HYP A 6 -0.552 3.556 0.452 1.00 86.09 O +HETATM 35 CB HYP A 6 -3.674 2.859 0.709 1.00 83.27 C +HETATM 36 CG HYP A 6 -4.291 2.416 2.022 1.00 79.22 C +HETATM 37 CD HYP A 6 -3.082 2.244 2.900 1.00 83.90 C +HETATM 38 OD1 HYP A 6 -4.943 1.180 1.862 1.00 83.83 O +ATOM 39 N GLY A 7 -1.052 2.366 -1.370 1.00 86.21 N +ATOM 40 CA GLY A 7 -0.055 3.008 -2.176 1.00 83.26 C +ATOM 41 C GLY A 7 -0.413 4.452 -2.461 1.00 83.12 C +ATOM 42 O GLY A 7 -1.475 4.940 -2.083 1.00 81.90 O +ATOM 43 N PRO A 8 0.492 5.145 -3.144 1.00 85.72 N +ATOM 44 CA PRO A 8 0.226 6.538 -3.477 1.00 84.96 C +ATOM 45 C PRO A 8 -0.865 6.649 -4.526 1.00 84.81 C +ATOM 46 O PRO A 8 -1.178 5.700 -5.227 1.00 82.70 O +ATOM 47 CB PRO A 8 1.567 7.028 -4.017 1.00 81.81 C +ATOM 48 CG PRO A 8 2.203 5.810 -4.567 1.00 81.38 C +ATOM 49 CD PRO A 8 1.768 4.679 -3.675 1.00 82.84 C +HETATM 50 N HYP A 9 -1.408 7.843 -4.632 1.00 81.97 N +HETATM 51 CA HYP A 9 -2.399 8.093 -5.620 1.00 86.79 C +HETATM 52 C HYP A 9 -1.888 7.894 -7.005 1.00 85.05 C +HETATM 53 O HYP A 9 -0.732 8.162 -7.308 1.00 84.24 O +HETATM 54 CB HYP A 9 -2.664 9.610 -5.365 1.00 80.74 C +HETATM 55 CG HYP A 9 -2.386 9.801 -3.901 1.00 77.93 C +HETATM 56 CD HYP A 9 -1.182 8.943 -3.687 1.00 83.46 C +HETATM 57 OD1 HYP A 9 -3.440 9.305 -3.113 1.00 79.22 O +ATOM 58 N GLY A 10 -2.722 7.265 -7.837 1.00 83.96 N +ATOM 59 CA GLY A 10 -2.391 7.097 -9.225 1.00 81.77 C +ATOM 60 C GLY A 10 -2.392 8.433 -9.934 1.00 82.65 C +ATOM 61 O GLY A 10 -2.616 9.486 -9.334 1.00 80.36 O +ATOM 62 N MET A 11 -2.146 8.392 -11.242 1.00 86.84 N +ATOM 63 CA MET A 11 -2.164 9.595 -12.051 1.00 88.26 C +ATOM 64 C MET A 11 -3.584 10.136 -12.096 1.00 87.33 C +ATOM 65 O MET A 11 -4.465 9.543 -12.719 1.00 84.34 O +ATOM 66 CB MET A 11 -1.666 9.293 -13.459 1.00 85.72 C +ATOM 67 CG MET A 11 -0.166 9.075 -13.526 1.00 80.04 C +ATOM 68 SD MET A 11 0.735 10.583 -13.222 1.00 77.12 S +ATOM 69 CE MET A 11 2.410 9.986 -13.309 1.00 70.71 C +HETATM 70 N HYP A 12 -3.868 11.275 -11.500 1.00 76.40 N +HETATM 71 CA HYP A 12 -5.133 11.601 -11.054 1.00 77.81 C +HETATM 72 C HYP A 12 -6.042 10.550 -10.719 1.00 84.58 C +HETATM 73 O HYP A 12 -7.172 10.397 -11.168 1.00 84.12 O +HETATM 74 CB HYP A 12 -5.514 12.933 -11.550 1.00 75.12 C +HETATM 75 CG HYP A 12 -4.133 13.545 -11.945 1.00 73.03 C +HETATM 76 CD HYP A 12 -3.309 12.351 -12.204 1.00 76.41 C +HETATM 77 OD1 HYP A 12 -3.552 14.249 -10.900 1.00 77.48 O +ATOM 78 N GLY A 13 -5.535 9.627 -9.897 1.00 84.91 N +ATOM 79 CA GLY A 13 -6.248 8.417 -9.565 1.00 83.09 C +ATOM 80 C GLY A 13 -6.315 8.172 -8.071 1.00 83.34 C +ATOM 81 O GLY A 13 -5.749 8.917 -7.275 1.00 82.79 O +ATOM 82 N PRO A 14 -7.017 7.121 -7.695 1.00 82.63 N +ATOM 83 CA PRO A 14 -7.186 6.781 -6.295 1.00 82.87 C +ATOM 84 C PRO A 14 -5.916 6.190 -5.709 1.00 81.81 C +ATOM 85 O PRO A 14 -4.972 5.869 -6.427 1.00 79.80 O +ATOM 86 CB PRO A 14 -8.309 5.749 -6.322 1.00 80.21 C +ATOM 87 CG PRO A 14 -8.142 5.083 -7.638 1.00 78.21 C +ATOM 88 CD PRO A 14 -7.669 6.156 -8.571 1.00 78.27 C +HETATM 89 N HYP A 15 -5.964 6.047 -4.422 1.00 82.57 N +HETATM 90 CA HYP A 15 -4.834 5.414 -3.764 1.00 88.56 C +HETATM 91 C HYP A 15 -4.563 4.058 -4.309 1.00 85.08 C +HETATM 92 O HYP A 15 -5.483 3.371 -4.788 1.00 86.22 O +HETATM 93 CB HYP A 15 -5.373 5.365 -2.298 1.00 82.61 C +HETATM 94 CG HYP A 15 -6.331 6.536 -2.207 1.00 79.49 C +HETATM 95 CD HYP A 15 -7.028 6.485 -3.566 1.00 82.75 C +HETATM 96 OD1 HYP A 15 -5.625 7.741 -2.080 1.00 83.63 O +ATOM 97 N GLY A 16 -3.322 3.707 -4.318 1.00 85.13 N +ATOM 98 CA GLY A 16 -2.944 2.394 -4.766 1.00 83.35 C +ATOM 99 C GLY A 16 -3.433 1.318 -3.815 1.00 84.34 C +ATOM 100 O GLY A 16 -4.031 1.601 -2.772 1.00 84.33 O +ATOM 101 N PRO A 17 -3.177 0.078 -4.188 1.00 86.21 N +ATOM 102 CA PRO A 17 -3.591 -1.027 -3.338 1.00 85.95 C +ATOM 103 C PRO A 17 -2.766 -1.087 -2.067 1.00 86.33 C +ATOM 104 O PRO A 17 -1.694 -0.498 -1.978 1.00 84.70 O +ATOM 105 CB PRO A 17 -3.348 -2.251 -4.218 1.00 83.37 C +ATOM 106 CG PRO A 17 -2.250 -1.835 -5.122 1.00 82.50 C +ATOM 107 CD PRO A 17 -2.454 -0.373 -5.369 1.00 83.98 C +HETATM 108 N HYP A 18 -3.243 -1.777 -1.105 1.00 87.49 N +HETATM 109 CA HYP A 18 -2.497 -2.012 0.095 1.00 92.46 C +HETATM 110 C HYP A 18 -1.150 -2.558 -0.201 1.00 90.47 C +HETATM 111 O HYP A 18 -0.968 -3.310 -1.186 1.00 89.69 O +HETATM 112 CB HYP A 18 -3.404 -2.963 0.837 1.00 87.76 C +HETATM 113 CG HYP A 18 -4.797 -2.632 0.371 1.00 84.70 C +HETATM 114 CD HYP A 18 -4.580 -2.366 -1.103 1.00 88.52 C +HETATM 115 OD1 HYP A 18 -5.256 -1.447 0.988 1.00 86.87 O +ATOM 116 N GLY A 19 -0.201 -2.175 0.584 1.00 88.14 N +ATOM 117 CA GLY A 19 1.126 -2.705 0.451 1.00 87.57 C +ATOM 118 C GLY A 19 1.173 -4.182 0.801 1.00 88.24 C +ATOM 119 O GLY A 19 0.176 -4.782 1.201 1.00 88.10 O +ATOM 120 N PRO A 20 2.338 -4.760 0.642 1.00 85.10 N +ATOM 121 CA PRO A 20 2.475 -6.175 0.946 1.00 84.37 C +ATOM 122 C PRO A 20 2.381 -6.431 2.438 1.00 84.04 C +ATOM 123 O PRO A 20 2.543 -5.523 3.249 1.00 83.43 O +ATOM 124 CB PRO A 20 3.867 -6.516 0.409 1.00 81.36 C +ATOM 125 CG PRO A 20 4.600 -5.232 0.467 1.00 78.90 C +ATOM 126 CD PRO A 20 3.593 -4.162 0.207 1.00 80.64 C +HETATM 127 N HYP A 21 2.136 -7.644 2.809 1.00 87.96 N +HETATM 128 CA HYP A 21 2.079 -8.029 4.154 1.00 89.39 C +HETATM 129 C HYP A 21 3.361 -7.750 4.905 1.00 87.35 C +HETATM 130 O HYP A 21 4.438 -7.825 4.298 1.00 88.52 O +HETATM 131 CB HYP A 21 1.782 -9.497 4.089 1.00 85.73 C +HETATM 132 CG HYP A 21 1.037 -9.661 2.803 1.00 82.53 C +HETATM 133 CD HYP A 21 1.727 -8.700 1.893 1.00 88.11 C +HETATM 134 OD1 HYP A 21 -0.314 -9.252 2.941 1.00 85.62 O +ATOM 135 N GLY A 22 3.255 -7.308 6.102 1.00 85.34 N +ATOM 136 CA GLY A 22 4.404 -7.088 6.934 1.00 83.55 C +ATOM 137 C GLY A 22 5.065 -8.401 7.320 1.00 83.74 C +ATOM 138 O GLY A 22 4.689 -9.470 6.840 1.00 82.87 O +ATOM 139 N PRO A 23 6.045 -8.323 8.200 1.00 82.30 N +ATOM 140 CA PRO A 23 6.713 -9.542 8.631 1.00 83.55 C +ATOM 141 C PRO A 23 5.748 -10.450 9.368 1.00 82.20 C +ATOM 142 O PRO A 23 4.775 -9.991 9.956 1.00 78.88 O +ATOM 143 CB PRO A 23 7.817 -9.058 9.564 1.00 78.61 C +ATOM 144 CG PRO A 23 7.646 -7.613 9.714 1.00 75.29 C +ATOM 145 CD PRO A 23 6.522 -7.136 8.875 1.00 77.88 C +HETATM 146 N HYP A 24 5.971 -11.677 9.422 1.00 85.47 N +HETATM 147 CA HYP A 24 5.044 -12.567 10.056 1.00 78.73 C +HETATM 148 C HYP A 24 4.256 -11.991 11.157 1.00 79.45 C +HETATM 149 O HYP A 24 4.891 -11.231 11.935 1.00 78.37 O +HETATM 150 CB HYP A 24 5.815 -13.806 10.281 1.00 82.01 C +HETATM 151 CG HYP A 24 6.985 -13.702 9.327 1.00 78.74 C +HETATM 152 CD HYP A 24 7.250 -12.214 9.202 1.00 84.31 C +HETATM 153 OD1 HYP A 24 6.624 -14.167 8.031 1.00 82.85 O +HETATM 154 OXT HYP A 24 3.044 -12.328 11.257 1.00 74.27 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_85.txt b/protein_pdb_85.txt new file mode 100644 index 0000000000000000000000000000000000000000..3870af232e9bb96e8133c3e4853aa17e0f48143c --- /dev/null +++ b/protein_pdb_85.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -25.972 14.846 -17.201 1.00 87.11 N +ATOM 2 CA GLY A 1 -24.840 14.425 -18.014 1.00 90.74 C +ATOM 3 C GLY A 1 -24.361 13.043 -17.637 1.00 91.43 C +ATOM 4 O GLY A 1 -24.801 12.487 -16.629 1.00 88.97 O +ATOM 5 N PRO A 2 -23.483 12.469 -18.417 1.00 89.61 N +ATOM 6 CA PRO A 2 -22.973 11.133 -18.114 1.00 92.49 C +ATOM 7 C PRO A 2 -22.079 11.143 -16.880 1.00 92.63 C +ATOM 8 O PRO A 2 -21.523 12.172 -16.508 1.00 91.62 O +ATOM 9 CB PRO A 2 -22.187 10.758 -19.370 1.00 90.08 C +ATOM 10 CG PRO A 2 -21.743 12.069 -19.910 1.00 86.45 C +ATOM 11 CD PRO A 2 -22.876 13.024 -19.625 1.00 87.84 C +HETATM 12 N HYP A 3 -21.988 10.038 -16.279 1.00 91.87 N +HETATM 13 CA HYP A 3 -21.045 9.850 -15.138 1.00 91.85 C +HETATM 14 C HYP A 3 -19.621 10.164 -15.547 1.00 90.75 C +HETATM 15 O HYP A 3 -19.213 9.935 -16.699 1.00 92.42 O +HETATM 16 CB HYP A 3 -21.221 8.360 -14.834 1.00 91.33 C +HETATM 17 CG HYP A 3 -22.607 8.018 -15.295 1.00 89.68 C +HETATM 18 CD HYP A 3 -22.732 8.852 -16.594 1.00 91.62 C +HETATM 19 OD1 HYP A 3 -23.587 8.439 -14.394 1.00 90.81 O +ATOM 20 N GLY A 4 -18.868 10.705 -14.595 1.00 95.10 N +ATOM 21 CA GLY A 4 -17.478 10.999 -14.841 1.00 94.95 C +ATOM 22 C GLY A 4 -16.655 9.736 -14.984 1.00 95.04 C +ATOM 23 O GLY A 4 -17.144 8.631 -14.731 1.00 94.21 O +ATOM 24 N PRO A 5 -15.414 9.883 -15.395 1.00 93.50 N +ATOM 25 CA PRO A 5 -14.545 8.719 -15.563 1.00 93.88 C +ATOM 26 C PRO A 5 -14.165 8.121 -14.220 1.00 93.81 C +ATOM 27 O PRO A 5 -14.225 8.777 -13.186 1.00 92.76 O +ATOM 28 CB PRO A 5 -13.327 9.284 -16.288 1.00 91.91 C +ATOM 29 CG PRO A 5 -13.282 10.696 -15.819 1.00 89.81 C +ATOM 30 CD PRO A 5 -14.729 11.127 -15.712 1.00 92.01 C +HETATM 31 N HYP A 6 -13.787 6.861 -14.232 1.00 92.79 N +HETATM 32 CA HYP A 6 -13.247 6.222 -13.014 1.00 94.75 C +HETATM 33 C HYP A 6 -12.037 6.930 -12.485 1.00 93.96 C +HETATM 34 O HYP A 6 -11.244 7.501 -13.246 1.00 93.26 O +HETATM 35 CB HYP A 6 -12.897 4.798 -13.536 1.00 92.62 C +HETATM 36 CG HYP A 6 -13.874 4.582 -14.643 1.00 91.08 C +HETATM 37 CD HYP A 6 -13.928 5.947 -15.321 1.00 92.68 C +HETATM 38 OD1 HYP A 6 -15.145 4.206 -14.173 1.00 90.35 O +ATOM 39 N GLY A 7 -11.889 6.906 -11.147 1.00 95.41 N +ATOM 40 CA GLY A 7 -10.748 7.512 -10.505 1.00 95.16 C +ATOM 41 C GLY A 7 -9.468 6.776 -10.838 1.00 95.62 C +ATOM 42 O GLY A 7 -9.484 5.713 -11.466 1.00 94.92 O +ATOM 43 N PRO A 8 -8.346 7.329 -10.400 1.00 94.62 N +ATOM 44 CA PRO A 8 -7.058 6.694 -10.659 1.00 94.96 C +ATOM 45 C PRO A 8 -6.896 5.415 -9.852 1.00 95.11 C +ATOM 46 O PRO A 8 -7.601 5.195 -8.872 1.00 94.23 O +ATOM 47 CB PRO A 8 -6.049 7.756 -10.238 1.00 93.42 C +ATOM 48 CG PRO A 8 -6.775 8.519 -9.185 1.00 92.17 C +ATOM 49 CD PRO A 8 -8.207 8.559 -9.640 1.00 93.34 C +HETATM 50 N HYP A 9 -5.986 4.588 -10.238 1.00 94.07 N +HETATM 51 CA HYP A 9 -5.654 3.362 -9.507 1.00 95.19 C +HETATM 52 C HYP A 9 -5.233 3.654 -8.116 1.00 94.45 C +HETATM 53 O HYP A 9 -4.640 4.700 -7.819 1.00 93.85 O +HETATM 54 CB HYP A 9 -4.424 2.806 -10.340 1.00 93.70 C +HETATM 55 CG HYP A 9 -4.721 3.281 -11.708 1.00 92.26 C +HETATM 56 CD HYP A 9 -5.255 4.681 -11.474 1.00 93.56 C +HETATM 57 OD1 HYP A 9 -5.725 2.487 -12.336 1.00 90.28 O +ATOM 58 N GLY A 10 -5.543 2.713 -7.203 1.00 94.76 N +ATOM 59 CA GLY A 10 -5.156 2.844 -5.820 1.00 93.87 C +ATOM 60 C GLY A 10 -3.646 2.848 -5.655 1.00 94.23 C +ATOM 61 O GLY A 10 -2.889 2.516 -6.564 1.00 93.39 O +ATOM 62 N GLN A 11 -3.226 3.223 -4.448 1.00 92.54 N +ATOM 63 CA GLN A 11 -1.803 3.269 -4.128 1.00 92.21 C +ATOM 64 C GLN A 11 -1.210 1.868 -4.104 1.00 92.23 C +ATOM 65 O GLN A 11 -1.896 0.901 -3.792 1.00 91.04 O +ATOM 66 CB GLN A 11 -1.603 3.927 -2.767 1.00 89.15 C +ATOM 67 CG GLN A 11 -2.054 5.371 -2.712 1.00 85.19 C +ATOM 68 CD GLN A 11 -1.228 6.250 -3.623 1.00 81.67 C +ATOM 69 OE1 GLN A 11 -1.705 6.702 -4.666 1.00 77.27 O +ATOM 70 NE2 GLN A 11 0.018 6.472 -3.253 1.00 75.40 N +ATOM 71 N PRO A 12 0.083 1.748 -4.393 1.00 92.70 N +ATOM 72 CA PRO A 12 0.738 0.448 -4.256 1.00 92.66 C +ATOM 73 C PRO A 12 0.656 -0.021 -2.811 1.00 92.43 C +ATOM 74 O PRO A 12 0.619 0.788 -1.884 1.00 90.64 O +ATOM 75 CB PRO A 12 2.188 0.713 -4.668 1.00 90.58 C +ATOM 76 CG PRO A 12 2.110 1.905 -5.567 1.00 88.87 C +ATOM 77 CD PRO A 12 1.018 2.743 -4.972 1.00 90.00 C +ATOM 78 N GLY A 13 0.604 -1.325 -2.652 1.00 95.26 N +ATOM 79 CA GLY A 13 0.573 -1.885 -1.315 1.00 94.29 C +ATOM 80 C GLY A 13 1.880 -1.665 -0.581 1.00 95.07 C +ATOM 81 O GLY A 13 2.881 -1.270 -1.179 1.00 95.30 O +ATOM 82 N PRO A 14 1.888 -1.931 0.728 1.00 94.03 N +ATOM 83 CA PRO A 14 3.107 -1.751 1.512 1.00 94.37 C +ATOM 84 C PRO A 14 4.132 -2.830 1.191 1.00 94.41 C +ATOM 85 O PRO A 14 3.793 -3.884 0.665 1.00 94.25 O +ATOM 86 CB PRO A 14 2.616 -1.861 2.956 1.00 93.28 C +ATOM 87 CG PRO A 14 1.435 -2.759 2.856 1.00 92.16 C +ATOM 88 CD PRO A 14 0.767 -2.383 1.560 1.00 93.25 C +HETATM 89 N HYP A 15 5.397 -2.576 1.500 1.00 90.97 N +HETATM 90 CA HYP A 15 6.441 -3.575 1.391 1.00 94.66 C +HETATM 91 C HYP A 15 6.151 -4.820 2.190 1.00 93.18 C +HETATM 92 O HYP A 15 5.469 -4.739 3.224 1.00 91.70 O +HETATM 93 CB HYP A 15 7.658 -2.789 1.908 1.00 92.36 C +HETATM 94 CG HYP A 15 7.332 -1.362 1.556 1.00 88.93 C +HETATM 95 CD HYP A 15 5.867 -1.275 1.830 1.00 92.40 C +HETATM 96 OD1 HYP A 15 7.578 -1.073 0.201 1.00 92.55 O +ATOM 97 N GLY A 16 6.597 -5.942 1.706 1.00 96.73 N +ATOM 98 CA GLY A 16 6.460 -7.172 2.434 1.00 96.05 C +ATOM 99 C GLY A 16 7.312 -7.153 3.696 1.00 96.54 C +ATOM 100 O GLY A 16 8.112 -6.242 3.910 1.00 96.30 O +ATOM 101 N PRO A 17 7.147 -8.182 4.533 1.00 94.21 N +ATOM 102 CA PRO A 17 7.925 -8.238 5.769 1.00 93.95 C +ATOM 103 C PRO A 17 9.393 -8.527 5.486 1.00 93.93 C +ATOM 104 O PRO A 17 9.743 -9.051 4.442 1.00 93.38 O +ATOM 105 CB PRO A 17 7.270 -9.377 6.543 1.00 92.37 C +ATOM 106 CG PRO A 17 6.709 -10.253 5.471 1.00 90.88 C +ATOM 107 CD PRO A 17 6.230 -9.312 4.399 1.00 92.57 C +HETATM 108 N HYP A 18 10.266 -8.198 6.403 1.00 92.99 N +HETATM 109 CA HYP A 18 11.667 -8.517 6.335 1.00 94.76 C +HETATM 110 C HYP A 18 11.923 -10.011 6.221 1.00 94.27 C +HETATM 111 O HYP A 18 11.143 -10.836 6.759 1.00 93.96 O +HETATM 112 CB HYP A 18 12.195 -7.962 7.654 1.00 94.20 C +HETATM 113 CG HYP A 18 11.247 -6.863 8.006 1.00 91.61 C +HETATM 114 CD HYP A 18 9.920 -7.388 7.532 1.00 92.81 C +HETATM 115 OD1 HYP A 18 11.545 -5.690 7.314 1.00 93.03 O +ATOM 116 N GLY A 19 12.964 -10.384 5.537 1.00 95.54 N +ATOM 117 CA GLY A 19 13.356 -11.762 5.454 1.00 94.87 C +ATOM 118 C GLY A 19 13.848 -12.266 6.808 1.00 95.34 C +ATOM 119 O GLY A 19 14.007 -11.496 7.753 1.00 95.25 O +ATOM 120 N PRO A 20 14.108 -13.565 6.900 1.00 91.50 N +ATOM 121 CA PRO A 20 14.581 -14.129 8.163 1.00 91.37 C +ATOM 122 C PRO A 20 16.000 -13.680 8.471 1.00 91.14 C +ATOM 123 O PRO A 20 16.749 -13.277 7.579 1.00 90.75 O +ATOM 124 CB PRO A 20 14.499 -15.636 7.922 1.00 88.82 C +ATOM 125 CG PRO A 20 14.665 -15.759 6.443 1.00 85.23 C +ATOM 126 CD PRO A 20 13.961 -14.564 5.859 1.00 88.11 C +HETATM 127 N HYP A 21 16.419 -13.747 9.742 1.00 94.76 N +HETATM 128 CA HYP A 21 17.749 -13.428 10.140 1.00 93.99 C +HETATM 129 C HYP A 21 18.812 -14.309 9.483 1.00 95.15 C +HETATM 130 O HYP A 21 18.511 -15.481 9.177 1.00 93.85 O +HETATM 131 CB HYP A 21 17.745 -13.680 11.671 1.00 94.06 C +HETATM 132 CG HYP A 21 16.321 -13.461 12.083 1.00 93.18 C +HETATM 133 CD HYP A 21 15.552 -14.000 10.885 1.00 94.51 C +HETATM 134 OD1 HYP A 21 16.040 -12.079 12.202 1.00 91.99 O +ATOM 135 N GLY A 22 19.960 -13.780 9.206 1.00 92.04 N +ATOM 136 CA GLY A 22 21.039 -14.553 8.663 1.00 91.45 C +ATOM 137 C GLY A 22 21.511 -15.597 9.660 1.00 91.74 C +ATOM 138 O GLY A 22 21.093 -15.595 10.821 1.00 91.45 O +ATOM 139 N PRO A 23 22.409 -16.490 9.249 1.00 90.10 N +ATOM 140 CA PRO A 23 22.889 -17.533 10.146 1.00 90.65 C +ATOM 141 C PRO A 23 23.762 -16.938 11.241 1.00 90.20 C +ATOM 142 O PRO A 23 24.400 -15.905 11.059 1.00 87.67 O +ATOM 143 CB PRO A 23 23.686 -18.457 9.227 1.00 87.27 C +ATOM 144 CG PRO A 23 24.131 -17.564 8.129 1.00 82.71 C +ATOM 145 CD PRO A 23 23.005 -16.586 7.920 1.00 85.73 C +HETATM 146 N HYP A 24 23.847 -17.608 12.401 1.00 92.67 N +HETATM 147 CA HYP A 24 24.751 -17.072 13.417 1.00 91.53 C +HETATM 148 C HYP A 24 26.177 -17.416 12.949 1.00 93.65 C +HETATM 149 O HYP A 24 26.835 -16.432 12.697 1.00 93.11 O +HETATM 150 CB HYP A 24 24.461 -17.992 14.692 1.00 93.25 C +HETATM 151 CG HYP A 24 23.112 -18.589 14.483 1.00 92.28 C +HETATM 152 CD HYP A 24 22.949 -18.655 12.936 1.00 92.57 C +HETATM 153 OD1 HYP A 24 22.140 -17.676 14.977 1.00 89.48 O +HETATM 154 OXT HYP A 24 26.525 -18.609 12.780 1.00 87.98 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_86.txt b/protein_pdb_86.txt new file mode 100644 index 0000000000000000000000000000000000000000..66e6c238276c089f5335766e3c36cf165450bf85 --- /dev/null +++ b/protein_pdb_86.txt @@ -0,0 +1,137 @@ +ATOM 1 N GLY A 1 11.113 -25.064 9.786 1.00 95.23 N +ATOM 2 CA GLY A 1 10.212 -25.961 9.426 1.00 95.53 C +ATOM 3 C GLY A 1 9.205 -25.574 8.454 1.00 96.13 C +ATOM 4 O GLY A 1 9.441 -25.484 7.263 1.00 95.18 O +ATOM 5 N PRO A 2 8.047 -25.574 8.989 1.00 97.34 N +ATOM 6 CA PRO A 2 6.982 -25.149 8.073 1.00 97.35 C +ATOM 7 C PRO A 2 7.204 -23.701 7.589 1.00 97.42 C +ATOM 8 O PRO A 2 7.864 -22.917 8.260 1.00 96.72 O +ATOM 9 CB PRO A 2 5.702 -25.266 8.905 1.00 96.54 C +ATOM 10 CG PRO A 2 6.159 -25.103 10.309 1.00 94.40 C +ATOM 11 CD PRO A 2 7.580 -25.598 10.356 1.00 96.14 C +HETATM 12 N HYP A 3 6.702 -23.408 6.467 1.00 96.97 N +HETATM 13 CA HYP A 3 6.754 -21.983 5.909 1.00 97.09 C +HETATM 14 C HYP A 3 6.129 -20.961 6.847 1.00 97.88 C +HETATM 15 O HYP A 3 5.150 -21.261 7.552 1.00 97.40 O +HETATM 16 CB HYP A 3 6.002 -22.118 4.629 1.00 96.96 C +HETATM 17 CG HYP A 3 6.075 -23.579 4.225 1.00 96.34 C +HETATM 18 CD HYP A 3 6.040 -24.336 5.561 1.00 96.92 C +HETATM 19 OD1 HYP A 3 7.281 -23.870 3.536 1.00 95.92 O +ATOM 20 N GLY A 4 6.661 -19.702 6.841 1.00 96.94 N +ATOM 21 CA GLY A 4 6.122 -18.636 7.662 1.00 96.78 C +ATOM 22 C GLY A 4 4.756 -18.174 7.168 1.00 96.93 C +ATOM 23 O GLY A 4 4.310 -18.572 6.086 1.00 96.32 O +ATOM 24 N PRO A 5 4.092 -17.318 7.946 1.00 97.50 N +ATOM 25 CA PRO A 5 2.781 -16.801 7.553 1.00 97.36 C +ATOM 26 C PRO A 5 2.908 -15.809 6.402 1.00 97.44 C +ATOM 27 O PRO A 5 3.984 -15.270 6.149 1.00 96.51 O +ATOM 28 CB PRO A 5 2.266 -16.132 8.817 1.00 96.25 C +ATOM 29 CG PRO A 5 3.520 -15.662 9.491 1.00 93.96 C +ATOM 30 CD PRO A 5 4.543 -16.742 9.199 1.00 96.27 C +HETATM 31 N HYP A 6 1.834 -15.557 5.702 1.00 97.05 N +HETATM 32 CA HYP A 6 1.771 -14.504 4.666 1.00 96.77 C +HETATM 33 C HYP A 6 2.148 -13.141 5.166 1.00 97.56 C +HETATM 34 O HYP A 6 1.769 -12.797 6.290 1.00 96.67 O +HETATM 35 CB HYP A 6 0.345 -14.577 4.139 1.00 96.32 C +HETATM 36 CG HYP A 6 -0.150 -15.959 4.474 1.00 95.96 C +HETATM 37 CD HYP A 6 0.556 -16.266 5.780 1.00 96.67 C +HETATM 38 OD1 HYP A 6 0.226 -16.899 3.476 1.00 94.96 O +ATOM 39 N GLY A 7 2.827 -12.349 4.355 1.00 96.74 N +ATOM 40 CA GLY A 7 3.213 -11.009 4.740 1.00 96.27 C +ATOM 41 C GLY A 7 1.991 -10.125 4.952 1.00 96.60 C +ATOM 42 O GLY A 7 0.872 -10.479 4.565 1.00 95.97 O +ATOM 43 N PRO A 8 2.202 -8.936 5.550 1.00 97.55 N +ATOM 44 CA PRO A 8 1.083 -8.021 5.769 1.00 97.33 C +ATOM 45 C PRO A 8 0.563 -7.462 4.450 1.00 97.40 C +ATOM 46 O PRO A 8 1.258 -7.449 3.434 1.00 96.11 O +ATOM 47 CB PRO A 8 1.687 -6.922 6.650 1.00 96.32 C +ATOM 48 CG PRO A 8 3.133 -6.929 6.266 1.00 94.87 C +ATOM 49 CD PRO A 8 3.464 -8.381 6.002 1.00 96.48 C +ATOM 50 N LYS A 9 -0.684 -6.978 4.468 1.00 95.35 N +ATOM 51 CA LYS A 9 -1.290 -6.371 3.283 1.00 95.23 C +ATOM 52 C LYS A 9 -0.487 -5.130 2.887 1.00 95.65 C +ATOM 53 O LYS A 9 -0.004 -4.396 3.742 1.00 93.44 O +ATOM 54 CB LYS A 9 -2.754 -6.011 3.573 1.00 92.79 C +ATOM 55 CG LYS A 9 -3.496 -5.470 2.367 1.00 88.07 C +ATOM 56 CD LYS A 9 -4.964 -5.237 2.665 1.00 85.40 C +ATOM 57 CE LYS A 9 -5.702 -4.724 1.429 1.00 80.39 C +ATOM 58 NZ LYS A 9 -7.141 -4.534 1.707 1.00 75.13 N +ATOM 59 N GLY A 10 -0.357 -4.919 1.583 1.00 97.10 N +ATOM 60 CA GLY A 10 0.363 -3.755 1.093 1.00 96.87 C +ATOM 61 C GLY A 10 -0.315 -2.464 1.484 1.00 97.10 C +ATOM 62 O GLY A 10 -1.499 -2.425 1.821 1.00 96.29 O +ATOM 63 N THR A 11 0.452 -1.385 1.443 1.00 97.77 N +ATOM 64 CA THR A 11 -0.066 -0.063 1.781 1.00 97.50 C +ATOM 65 C THR A 11 -0.972 0.443 0.665 1.00 97.89 C +ATOM 66 O THR A 11 -0.875 0.006 -0.477 1.00 97.19 O +ATOM 67 CB THR A 11 1.076 0.928 2.002 1.00 96.65 C +ATOM 68 OG1 THR A 11 1.861 1.020 0.820 1.00 94.02 O +ATOM 69 CG2 THR A 11 1.963 0.479 3.152 1.00 92.93 C +HETATM 70 N HYP A 12 -1.870 1.409 0.972 1.00 97.45 N +HETATM 71 CA HYP A 12 -2.716 2.072 -0.048 1.00 96.89 C +HETATM 72 C HYP A 12 -1.886 2.805 -1.078 1.00 97.91 C +HETATM 73 O HYP A 12 -0.774 3.274 -0.739 1.00 97.13 O +HETATM 74 CB HYP A 12 -3.602 2.992 0.783 1.00 97.41 C +HETATM 75 CG HYP A 12 -3.623 2.368 2.153 1.00 96.47 C +HETATM 76 CD HYP A 12 -2.261 1.804 2.298 1.00 96.91 C +HETATM 77 OD1 HYP A 12 -4.583 1.331 2.256 1.00 96.27 O +ATOM 78 N GLY A 13 -2.380 2.950 -2.262 1.00 97.13 N +ATOM 79 CA GLY A 13 -1.696 3.717 -3.272 1.00 96.95 C +ATOM 80 C GLY A 13 -1.646 5.192 -2.890 1.00 97.41 C +ATOM 81 O GLY A 13 -2.284 5.620 -1.935 1.00 97.11 O +ATOM 82 N PRO A 14 -0.884 5.989 -3.656 1.00 97.52 N +ATOM 83 CA PRO A 14 -0.793 7.410 -3.366 1.00 97.48 C +ATOM 84 C PRO A 14 -2.108 8.117 -3.666 1.00 97.63 C +ATOM 85 O PRO A 14 -2.902 7.650 -4.474 1.00 97.06 O +ATOM 86 CB PRO A 14 0.329 7.899 -4.290 1.00 96.74 C +ATOM 87 CG PRO A 14 0.262 6.949 -5.433 1.00 95.35 C +ATOM 88 CD PRO A 14 -0.104 5.614 -4.829 1.00 96.92 C +HETATM 89 N HYP A 15 -2.355 9.270 -3.024 1.00 97.67 N +HETATM 90 CA HYP A 15 -3.510 10.100 -3.310 1.00 97.06 C +HETATM 91 C HYP A 15 -3.557 10.581 -4.775 1.00 97.67 C +HETATM 92 O HYP A 15 -2.469 10.722 -5.379 1.00 97.51 O +HETATM 93 CB HYP A 15 -3.347 11.264 -2.330 1.00 96.97 C +HETATM 94 CG HYP A 15 -2.470 10.740 -1.204 1.00 96.72 C +HETATM 95 CD HYP A 15 -1.583 9.764 -1.910 1.00 97.10 C +HETATM 96 OD1 HYP A 15 -3.234 10.046 -0.238 1.00 96.49 O +ATOM 97 N GLY A 16 -4.710 10.776 -5.299 1.00 96.72 N +ATOM 98 CA GLY A 16 -4.817 11.306 -6.635 1.00 96.15 C +ATOM 99 C GLY A 16 -4.277 12.730 -6.689 1.00 96.41 C +ATOM 100 O GLY A 16 -4.063 13.364 -5.650 1.00 95.84 O +ATOM 101 N PRO A 17 -4.059 13.252 -7.899 1.00 96.71 N +ATOM 102 CA PRO A 17 -3.557 14.614 -8.032 1.00 96.35 C +ATOM 103 C PRO A 17 -4.617 15.628 -7.618 1.00 96.21 C +ATOM 104 O PRO A 17 -5.808 15.325 -7.625 1.00 94.67 O +ATOM 105 CB PRO A 17 -3.216 14.724 -9.514 1.00 94.89 C +ATOM 106 CG PRO A 17 -4.157 13.768 -10.159 1.00 92.56 C +ATOM 107 CD PRO A 17 -4.280 12.618 -9.185 1.00 94.95 C +HETATM 108 N HYP A 18 -4.214 16.884 -7.286 1.00 96.65 N +HETATM 109 CA HYP A 18 -5.126 17.936 -6.966 1.00 95.78 C +HETATM 110 C HYP A 18 -6.093 18.289 -8.110 1.00 97.47 C +HETATM 111 O HYP A 18 -5.700 18.109 -9.288 1.00 96.83 O +HETATM 112 CB HYP A 18 -4.209 19.175 -6.684 1.00 95.84 C +HETATM 113 CG HYP A 18 -2.895 18.566 -6.259 1.00 95.28 C +HETATM 114 CD HYP A 18 -2.845 17.272 -7.035 1.00 95.86 C +HETATM 115 OD1 HYP A 18 -2.920 18.259 -4.879 1.00 94.04 O +ATOM 116 N GLY A 19 -7.300 18.612 -7.831 1.00 94.91 N +ATOM 117 CA GLY A 19 -8.260 18.963 -8.849 1.00 94.35 C +ATOM 118 C GLY A 19 -7.825 20.224 -9.582 1.00 94.72 C +ATOM 119 O GLY A 19 -6.820 20.842 -9.224 1.00 93.50 O +ATOM 120 N PRO A 20 -8.602 20.667 -10.603 1.00 95.50 N +ATOM 121 CA PRO A 20 -8.260 21.882 -11.334 1.00 95.39 C +ATOM 122 C PRO A 20 -8.380 23.094 -10.428 1.00 95.11 C +ATOM 123 O PRO A 20 -9.174 23.087 -9.483 1.00 92.41 O +ATOM 124 CB PRO A 20 -9.286 21.908 -12.467 1.00 93.41 C +ATOM 125 CG PRO A 20 -10.443 21.152 -11.920 1.00 90.37 C +ATOM 126 CD PRO A 20 -9.833 20.059 -11.076 1.00 94.13 C +HETATM 127 N HYP A 21 -7.726 24.322 -10.771 1.00 95.86 N +HETATM 128 CA HYP A 21 -7.889 25.185 -9.952 1.00 94.42 C +HETATM 129 C HYP A 21 -9.378 26.306 -11.007 1.00 96.28 C +HETATM 130 O HYP A 21 -10.307 25.631 -10.995 1.00 94.87 O +HETATM 131 CB HYP A 21 -7.049 26.679 -10.490 1.00 94.93 C +HETATM 132 CG HYP A 21 -5.937 26.067 -10.978 1.00 94.05 C +HETATM 133 CD HYP A 21 -6.503 24.702 -11.506 1.00 95.48 C +HETATM 134 OD1 HYP A 21 -5.113 25.830 -9.891 1.00 90.33 O +HETATM 135 OXT HYP A 21 -9.408 27.404 -11.725 1.00 91.87 O +TER 136 HYP A 21 +END diff --git a/protein_pdb_87.txt b/protein_pdb_87.txt new file mode 100644 index 0000000000000000000000000000000000000000..8db82b2ddbd2200fc6bb6b26505ae26837067216 --- /dev/null +++ b/protein_pdb_87.txt @@ -0,0 +1,1581 @@ +ATOM 1 N GLY A 1 -2.022 -0.157 -21.381 1.00 55.37 N +ATOM 2 CA GLY A 1 -3.390 -0.049 -20.839 1.00 60.03 C +ATOM 3 C GLY A 1 -3.547 1.274 -20.119 1.00 57.33 C +ATOM 4 O GLY A 1 -2.553 1.774 -19.599 1.00 54.67 O +ATOM 5 N LEU A 2 -4.755 1.853 -20.152 1.00 64.60 N +ATOM 6 CA LEU A 2 -5.045 3.064 -19.392 1.00 70.39 C +ATOM 7 C LEU A 2 -4.949 2.758 -17.885 1.00 65.84 C +ATOM 8 O LEU A 2 -5.245 1.633 -17.476 1.00 64.11 O +ATOM 9 CB LEU A 2 -6.437 3.602 -19.770 1.00 69.34 C +ATOM 10 CG LEU A 2 -6.532 4.159 -21.201 1.00 62.08 C +ATOM 11 CD1 LEU A 2 -7.997 4.446 -21.563 1.00 58.63 C +ATOM 12 CD2 LEU A 2 -5.737 5.458 -21.365 1.00 57.26 C +ATOM 13 N PRO A 3 -4.540 3.741 -17.051 1.00 66.01 N +ATOM 14 CA PRO A 3 -4.564 3.576 -15.601 1.00 70.94 C +ATOM 15 C PRO A 3 -5.977 3.241 -15.119 1.00 67.28 C +ATOM 16 O PRO A 3 -6.930 3.894 -15.536 1.00 63.54 O +ATOM 17 CB PRO A 3 -4.091 4.917 -15.024 1.00 70.02 C +ATOM 18 CG PRO A 3 -3.345 5.578 -16.177 1.00 65.06 C +ATOM 19 CD PRO A 3 -4.062 5.063 -17.411 1.00 64.87 C +ATOM 20 N GLY A 4 -6.107 2.261 -14.246 1.00 63.19 N +ATOM 21 CA GLY A 4 -7.390 1.949 -13.608 1.00 64.28 C +ATOM 22 C GLY A 4 -7.953 3.160 -12.843 1.00 63.25 C +ATOM 23 O GLY A 4 -7.169 4.013 -12.392 1.00 61.61 O +ATOM 24 N PRO A 5 -9.292 3.268 -12.716 1.00 67.77 N +ATOM 25 CA PRO A 5 -9.921 4.356 -11.996 1.00 71.36 C +ATOM 26 C PRO A 5 -9.402 4.433 -10.556 1.00 68.96 C +ATOM 27 O PRO A 5 -9.028 3.419 -9.954 1.00 66.05 O +ATOM 28 CB PRO A 5 -11.428 4.102 -12.082 1.00 69.78 C +ATOM 29 CG PRO A 5 -11.523 2.592 -12.291 1.00 66.20 C +ATOM 30 CD PRO A 5 -10.274 2.273 -13.104 1.00 66.38 C +ATOM 31 N ARG A 6 -9.350 5.654 -10.010 1.00 72.67 N +ATOM 32 CA ARG A 6 -8.995 5.871 -8.605 1.00 76.65 C +ATOM 33 C ARG A 6 -10.024 5.146 -7.731 1.00 73.68 C +ATOM 34 O ARG A 6 -11.213 5.283 -7.987 1.00 69.19 O +ATOM 35 CB ARG A 6 -8.961 7.376 -8.324 1.00 72.08 C +ATOM 36 CG ARG A 6 -8.299 7.717 -6.983 1.00 67.02 C +ATOM 37 CD ARG A 6 -8.258 9.236 -6.798 1.00 63.87 C +ATOM 38 NE ARG A 6 -7.276 9.658 -5.789 1.00 61.06 N +ATOM 39 CZ ARG A 6 -6.923 10.900 -5.502 1.00 55.46 C +ATOM 40 NH1 ARG A 6 -7.497 11.929 -6.069 1.00 55.43 N +ATOM 41 NH2 ARG A 6 -5.978 11.138 -4.648 1.00 54.59 N +ATOM 42 N GLY A 7 -9.561 4.397 -6.729 1.00 70.87 N +ATOM 43 CA GLY A 7 -10.457 3.728 -5.787 1.00 71.48 C +ATOM 44 C GLY A 7 -11.440 4.721 -5.158 1.00 71.93 C +ATOM 45 O GLY A 7 -11.065 5.866 -4.885 1.00 69.94 O +ATOM 46 N GLU A 8 -12.684 4.290 -4.985 1.00 64.97 N +ATOM 47 CA GLU A 8 -13.726 5.109 -4.353 1.00 71.57 C +ATOM 48 C GLU A 8 -13.286 5.518 -2.941 1.00 69.20 C +ATOM 49 O GLU A 8 -12.610 4.769 -2.225 1.00 67.74 O +ATOM 50 CB GLU A 8 -15.073 4.375 -4.333 1.00 69.03 C +ATOM 51 CG GLU A 8 -15.654 4.168 -5.755 1.00 62.89 C +ATOM 52 CD GLU A 8 -17.050 3.499 -5.767 1.00 59.69 C +ATOM 53 OE1 GLU A 8 -17.667 3.481 -6.853 1.00 56.35 O +ATOM 54 OE2 GLU A 8 -17.484 2.993 -4.712 1.00 56.10 O +ATOM 55 N GLN A 9 -13.643 6.754 -2.553 1.00 67.15 N +ATOM 56 CA GLN A 9 -13.382 7.237 -1.211 1.00 72.19 C +ATOM 57 C GLN A 9 -14.134 6.363 -0.207 1.00 70.37 C +ATOM 58 O GLN A 9 -15.330 6.135 -0.370 1.00 65.30 O +ATOM 59 CB GLN A 9 -13.780 8.717 -1.131 1.00 69.62 C +ATOM 60 CG GLN A 9 -13.405 9.375 0.196 1.00 65.63 C +ATOM 61 CD GLN A 9 -13.626 10.895 0.188 1.00 62.38 C +ATOM 62 OE1 GLN A 9 -14.058 11.502 -0.776 1.00 61.46 O +ATOM 63 NE2 GLN A 9 -13.311 11.579 1.260 1.00 58.19 N +ATOM 64 N GLY A 10 -13.449 5.856 0.803 1.00 67.15 N +ATOM 65 CA GLY A 10 -14.070 5.017 1.822 1.00 69.28 C +ATOM 66 C GLY A 10 -15.259 5.725 2.490 1.00 69.91 C +ATOM 67 O GLY A 10 -15.226 6.951 2.642 1.00 68.43 O +ATOM 68 N PRO A 11 -16.302 4.977 2.889 1.00 60.98 N +ATOM 69 CA PRO A 11 -17.465 5.560 3.549 1.00 65.62 C +ATOM 70 C PRO A 11 -17.050 6.294 4.825 1.00 63.42 C +ATOM 71 O PRO A 11 -16.135 5.876 5.537 1.00 61.70 O +ATOM 72 CB PRO A 11 -18.423 4.396 3.816 1.00 64.84 C +ATOM 73 CG PRO A 11 -17.499 3.185 3.879 1.00 61.65 C +ATOM 74 CD PRO A 11 -16.400 3.529 2.867 1.00 62.06 C +ATOM 75 N THR A 12 -17.760 7.389 5.127 1.00 66.17 N +ATOM 76 CA THR A 12 -17.587 8.113 6.387 1.00 70.93 C +ATOM 77 C THR A 12 -17.833 7.161 7.555 1.00 68.16 C +ATOM 78 O THR A 12 -18.827 6.440 7.567 1.00 64.21 O +ATOM 79 CB THR A 12 -18.553 9.299 6.464 1.00 69.37 C +ATOM 80 OG1 THR A 12 -18.417 10.118 5.314 1.00 66.41 O +ATOM 81 CG2 THR A 12 -18.304 10.186 7.672 1.00 65.67 C +ATOM 82 N GLY A 13 -16.926 7.147 8.527 1.00 68.59 N +ATOM 83 CA GLY A 13 -17.062 6.308 9.710 1.00 70.90 C +ATOM 84 C GLY A 13 -18.395 6.554 10.444 1.00 70.74 C +ATOM 85 O GLY A 13 -18.896 7.683 10.447 1.00 68.80 O +ATOM 86 N PRO A 14 -18.977 5.509 11.064 1.00 59.97 N +ATOM 87 CA PRO A 14 -20.221 5.653 11.808 1.00 64.41 C +ATOM 88 C PRO A 14 -20.063 6.671 12.943 1.00 60.73 C +ATOM 89 O PRO A 14 -19.015 6.764 13.577 1.00 60.34 O +ATOM 90 CB PRO A 14 -20.565 4.249 12.317 1.00 64.61 C +ATOM 91 CG PRO A 14 -19.210 3.549 12.389 1.00 62.61 C +ATOM 92 CD PRO A 14 -18.436 4.169 11.216 1.00 63.47 C +ATOM 93 N THR A 15 -21.138 7.420 13.199 1.00 67.15 N +ATOM 94 CA THR A 15 -21.192 8.321 14.359 1.00 70.81 C +ATOM 95 C THR A 15 -20.987 7.505 15.634 1.00 67.38 C +ATOM 96 O THR A 15 -21.636 6.481 15.814 1.00 63.38 O +ATOM 97 CB THR A 15 -22.537 9.059 14.419 1.00 69.55 C +ATOM 98 OG1 THR A 15 -22.793 9.707 13.190 1.00 67.24 O +ATOM 99 CG2 THR A 15 -22.593 10.133 15.501 1.00 66.23 C +ATOM 100 N GLY A 16 -20.095 7.954 16.511 1.00 67.38 N +ATOM 101 CA GLY A 16 -19.833 7.276 17.780 1.00 68.91 C +ATOM 102 C GLY A 16 -21.111 7.081 18.615 1.00 68.74 C +ATOM 103 O GLY A 16 -22.025 7.903 18.538 1.00 66.62 O +ATOM 104 N PRO A 17 -21.192 5.988 19.410 1.00 62.19 N +ATOM 105 CA PRO A 17 -22.349 5.724 20.250 1.00 66.30 C +ATOM 106 C PRO A 17 -22.569 6.873 21.241 1.00 61.98 C +ATOM 107 O PRO A 17 -21.624 7.469 21.748 1.00 61.15 O +ATOM 108 CB PRO A 17 -22.068 4.384 20.948 1.00 66.34 C +ATOM 109 CG PRO A 17 -20.544 4.299 20.961 1.00 64.27 C +ATOM 110 CD PRO A 17 -20.139 4.996 19.656 1.00 65.75 C +ATOM 111 N ALA A 18 -23.858 7.163 21.527 1.00 66.19 N +ATOM 112 CA ALA A 18 -24.205 8.148 22.548 1.00 69.73 C +ATOM 113 C ALA A 18 -23.630 7.729 23.913 1.00 66.47 C +ATOM 114 O ALA A 18 -23.707 6.558 24.290 1.00 61.81 O +ATOM 115 CB ALA A 18 -25.731 8.314 22.594 1.00 67.67 C +ATOM 116 N GLY A 19 -23.065 8.677 24.634 1.00 62.29 N +ATOM 117 CA GLY A 19 -22.533 8.436 25.977 1.00 64.86 C +ATOM 118 C GLY A 19 -23.597 7.872 26.933 1.00 65.62 C +ATOM 119 O GLY A 19 -24.790 8.135 26.757 1.00 63.36 O +ATOM 120 N PRO A 20 -23.191 7.082 27.943 1.00 57.45 N +ATOM 121 CA PRO A 20 -24.115 6.491 28.898 1.00 62.47 C +ATOM 122 C PRO A 20 -24.930 7.578 29.616 1.00 59.38 C +ATOM 123 O PRO A 20 -24.421 8.643 29.965 1.00 58.52 O +ATOM 124 CB PRO A 20 -23.260 5.659 29.861 1.00 62.49 C +ATOM 125 CG PRO A 20 -21.887 6.314 29.772 1.00 60.29 C +ATOM 126 CD PRO A 20 -21.807 6.789 28.321 1.00 62.98 C +ATOM 127 N ARG A 21 -26.235 7.274 29.820 1.00 53.18 N +ATOM 128 CA ARG A 21 -27.145 8.170 30.539 1.00 57.85 C +ATOM 129 C ARG A 21 -26.640 8.367 31.973 1.00 54.45 C +ATOM 130 O ARG A 21 -26.523 7.407 32.719 1.00 53.28 O +ATOM 131 CB ARG A 21 -28.560 7.570 30.487 1.00 58.04 C +ATOM 132 CG ARG A 21 -29.649 8.499 31.058 1.00 54.25 C +ATOM 133 CD ARG A 21 -31.023 7.840 30.895 1.00 54.21 C +ATOM 134 NE ARG A 21 -32.114 8.703 31.351 1.00 52.10 N +ATOM 135 CZ ARG A 21 -33.407 8.452 31.253 1.00 46.80 C +ATOM 136 NH1 ARG A 21 -33.856 7.343 30.739 1.00 47.70 N +ATOM 137 NH2 ARG A 21 -34.288 9.314 31.673 1.00 45.96 N +ATOM 138 N GLY A 22 -26.350 9.598 32.346 1.00 54.75 N +ATOM 139 CA GLY A 22 -25.962 9.945 33.714 1.00 57.26 C +ATOM 140 C GLY A 22 -27.048 9.578 34.739 1.00 57.53 C +ATOM 141 O GLY A 22 -28.239 9.626 34.426 1.00 55.01 O +ATOM 142 N LEU A 23 -26.624 9.172 35.939 1.00 47.42 N +ATOM 143 CA LEU A 23 -27.517 8.935 37.066 1.00 52.68 C +ATOM 144 C LEU A 23 -28.337 10.200 37.367 1.00 51.61 C +ATOM 145 O LEU A 23 -27.823 11.317 37.319 1.00 51.58 O +ATOM 146 CB LEU A 23 -26.718 8.468 38.296 1.00 52.73 C +ATOM 147 CG LEU A 23 -26.113 7.059 38.164 1.00 49.47 C +ATOM 148 CD1 LEU A 23 -25.150 6.792 39.314 1.00 48.09 C +ATOM 149 CD2 LEU A 23 -27.187 5.968 38.186 1.00 46.69 C +ATOM 150 N GLN A 24 -29.629 9.993 37.628 1.00 49.93 N +ATOM 151 CA GLN A 24 -30.613 11.057 37.756 1.00 52.51 C +ATOM 152 C GLN A 24 -30.317 11.947 38.975 1.00 49.45 C +ATOM 153 O GLN A 24 -30.592 11.574 40.113 1.00 48.68 O +ATOM 154 CB GLN A 24 -32.005 10.407 37.796 1.00 53.51 C +ATOM 155 CG GLN A 24 -33.171 11.405 37.717 1.00 50.19 C +ATOM 156 CD GLN A 24 -34.530 10.695 37.593 1.00 48.36 C +ATOM 157 OE1 GLN A 24 -34.651 9.480 37.613 1.00 48.23 O +ATOM 158 NE2 GLN A 24 -35.601 11.429 37.426 1.00 45.92 N +ATOM 159 N GLY A 25 -29.789 13.130 38.713 1.00 44.54 N +ATOM 160 CA GLY A 25 -29.683 14.195 39.702 1.00 48.13 C +ATOM 161 C GLY A 25 -29.449 15.533 38.994 1.00 47.91 C +ATOM 162 O GLY A 25 -28.418 15.689 38.373 1.00 46.90 O +ATOM 163 N LEU A 26 -30.453 16.408 39.073 1.00 43.53 N +ATOM 164 CA LEU A 26 -30.526 17.749 38.454 1.00 48.18 C +ATOM 165 C LEU A 26 -30.171 17.780 36.956 1.00 47.31 C +ATOM 166 O LEU A 26 -29.107 17.355 36.532 1.00 47.84 O +ATOM 167 CB LEU A 26 -29.706 18.766 39.272 1.00 48.93 C +ATOM 168 CG LEU A 26 -30.247 18.993 40.700 1.00 46.30 C +ATOM 169 CD1 LEU A 26 -29.261 19.814 41.527 1.00 45.44 C +ATOM 170 CD2 LEU A 26 -31.589 19.730 40.699 1.00 44.13 C +ATOM 171 N GLN A 27 -31.103 18.278 36.140 1.00 44.13 N +ATOM 172 CA GLN A 27 -30.984 18.307 34.682 1.00 47.51 C +ATOM 173 C GLN A 27 -29.729 19.085 34.250 1.00 45.89 C +ATOM 174 O GLN A 27 -29.765 20.296 34.078 1.00 45.92 O +ATOM 175 CB GLN A 27 -32.307 18.881 34.127 1.00 48.59 C +ATOM 176 CG GLN A 27 -32.456 18.766 32.603 1.00 44.80 C +ATOM 177 CD GLN A 27 -33.857 19.189 32.131 1.00 42.41 C +ATOM 178 OE1 GLN A 27 -34.705 19.639 32.884 1.00 42.45 O +ATOM 179 NE2 GLN A 27 -34.162 19.046 30.865 1.00 40.79 N +ATOM 180 N GLY A 28 -28.606 18.367 34.134 1.00 44.34 N +ATOM 181 CA GLY A 28 -27.375 18.888 33.554 1.00 47.14 C +ATOM 182 C GLY A 28 -27.584 19.156 32.065 1.00 46.84 C +ATOM 183 O GLY A 28 -28.313 18.422 31.398 1.00 45.82 O +ATOM 184 N LEU A 29 -26.948 20.223 31.570 1.00 48.90 N +ATOM 185 CA LEU A 29 -26.940 20.593 30.159 1.00 53.49 C +ATOM 186 C LEU A 29 -26.628 19.352 29.302 1.00 53.31 C +ATOM 187 O LEU A 29 -25.760 18.558 29.635 1.00 53.04 O +ATOM 188 CB LEU A 29 -25.903 21.705 29.934 1.00 52.89 C +ATOM 189 CG LEU A 29 -26.243 23.047 30.620 1.00 49.98 C +ATOM 190 CD1 LEU A 29 -25.046 23.983 30.593 1.00 48.91 C +ATOM 191 CD2 LEU A 29 -27.429 23.738 29.947 1.00 47.68 C +ATOM 192 N GLN A 30 -27.417 19.190 28.230 1.00 51.80 N +ATOM 193 CA GLN A 30 -27.223 18.111 27.266 1.00 55.71 C +ATOM 194 C GLN A 30 -25.758 18.108 26.813 1.00 54.48 C +ATOM 195 O GLN A 30 -25.285 19.107 26.290 1.00 53.20 O +ATOM 196 CB GLN A 30 -28.206 18.344 26.103 1.00 55.38 C +ATOM 197 CG GLN A 30 -28.127 17.285 24.995 1.00 51.07 C +ATOM 198 CD GLN A 30 -29.179 17.490 23.902 1.00 49.32 C +ATOM 199 OE1 GLN A 30 -30.070 18.322 23.976 1.00 50.23 O +ATOM 200 NE2 GLN A 30 -29.134 16.728 22.836 1.00 47.61 N +ATOM 201 N GLY A 31 -25.039 16.988 27.037 1.00 50.22 N +ATOM 202 CA GLY A 31 -23.652 16.851 26.596 1.00 53.71 C +ATOM 203 C GLY A 31 -23.542 17.098 25.093 1.00 55.24 C +ATOM 204 O GLY A 31 -24.423 16.683 24.333 1.00 53.90 O +ATOM 205 N GLU A 32 -22.489 17.796 24.684 1.00 53.12 N +ATOM 206 CA GLU A 32 -22.240 18.094 23.279 1.00 60.32 C +ATOM 207 C GLU A 32 -22.185 16.796 22.462 1.00 59.80 C +ATOM 208 O GLU A 32 -21.697 15.754 22.905 1.00 58.67 O +ATOM 209 CB GLU A 32 -20.961 18.926 23.108 1.00 58.38 C +ATOM 210 CG GLU A 32 -21.117 20.324 23.744 1.00 54.12 C +ATOM 211 CD GLU A 32 -19.945 21.273 23.432 1.00 50.93 C +ATOM 212 OE1 GLU A 32 -20.177 22.499 23.547 1.00 48.67 O +ATOM 213 OE2 GLU A 32 -18.847 20.772 23.102 1.00 48.48 O +ATOM 214 N ARG A 33 -22.778 16.848 21.261 1.00 59.08 N +ATOM 215 CA ARG A 33 -22.771 15.727 20.322 1.00 64.67 C +ATOM 216 C ARG A 33 -21.315 15.402 19.987 1.00 62.39 C +ATOM 217 O ARG A 33 -20.600 16.280 19.530 1.00 59.61 O +ATOM 218 CB ARG A 33 -23.584 16.121 19.080 1.00 63.00 C +ATOM 219 CG ARG A 33 -23.706 14.993 18.046 1.00 59.30 C +ATOM 220 CD ARG A 33 -24.581 15.473 16.875 1.00 59.31 C +ATOM 221 NE ARG A 33 -24.804 14.426 15.877 1.00 58.78 N +ATOM 222 CZ ARG A 33 -25.598 14.504 14.828 1.00 54.19 C +ATOM 223 NH1 ARG A 33 -26.283 15.590 14.561 1.00 54.46 N +ATOM 224 NH2 ARG A 33 -25.719 13.498 14.016 1.00 53.23 N +ATOM 225 N GLY A 34 -20.902 14.142 20.196 1.00 54.69 N +ATOM 226 CA GLY A 34 -19.554 13.706 19.849 1.00 57.48 C +ATOM 227 C GLY A 34 -19.205 14.047 18.394 1.00 58.50 C +ATOM 228 O GLY A 34 -20.057 13.932 17.515 1.00 56.57 O +ATOM 229 N GLU A 35 -17.971 14.483 18.182 1.00 56.38 N +ATOM 230 CA GLU A 35 -17.479 14.845 16.853 1.00 63.96 C +ATOM 231 C GLU A 35 -17.614 13.666 15.887 1.00 62.61 C +ATOM 232 O GLU A 35 -17.444 12.492 16.232 1.00 61.47 O +ATOM 233 CB GLU A 35 -16.031 15.345 16.912 1.00 61.41 C +ATOM 234 CG GLU A 35 -15.891 16.676 17.682 1.00 56.35 C +ATOM 235 CD GLU A 35 -14.467 17.276 17.593 1.00 53.35 C +ATOM 236 OE1 GLU A 35 -14.350 18.495 17.822 1.00 50.56 O +ATOM 237 OE2 GLU A 35 -13.532 16.507 17.283 1.00 50.47 O +ATOM 238 N GLN A 36 -17.966 13.981 14.635 1.00 59.97 N +ATOM 239 CA GLN A 36 -18.066 12.997 13.573 1.00 65.19 C +ATOM 240 C GLN A 36 -16.684 12.366 13.341 1.00 62.66 C +ATOM 241 O GLN A 36 -15.703 13.083 13.158 1.00 59.83 O +ATOM 242 CB GLN A 36 -18.621 13.686 12.316 1.00 65.35 C +ATOM 243 CG GLN A 36 -18.852 12.723 11.143 1.00 63.65 C +ATOM 244 CD GLN A 36 -19.551 13.402 9.954 1.00 60.81 C +ATOM 245 OE1 GLN A 36 -19.908 14.562 9.963 1.00 62.28 O +ATOM 246 NE2 GLN A 36 -19.801 12.689 8.890 1.00 58.62 N +ATOM 247 N GLY A 37 -16.615 11.033 13.344 1.00 56.15 N +ATOM 248 CA GLY A 37 -15.363 10.331 13.096 1.00 59.88 C +ATOM 249 C GLY A 37 -14.728 10.744 11.759 1.00 59.80 C +ATOM 250 O GLY A 37 -15.449 11.042 10.807 1.00 58.41 O +ATOM 251 N PRO A 38 -13.389 10.755 11.669 1.00 57.45 N +ATOM 252 CA PRO A 38 -12.702 11.140 10.455 1.00 62.21 C +ATOM 253 C PRO A 38 -13.109 10.239 9.283 1.00 59.74 C +ATOM 254 O PRO A 38 -13.357 9.040 9.454 1.00 58.45 O +ATOM 255 CB PRO A 38 -11.206 11.063 10.763 1.00 61.98 C +ATOM 256 CG PRO A 38 -11.135 10.057 11.905 1.00 59.41 C +ATOM 257 CD PRO A 38 -12.436 10.319 12.671 1.00 59.20 C +ATOM 258 N THR A 39 -13.162 10.823 8.079 1.00 61.17 N +ATOM 259 CA THR A 39 -13.393 10.074 6.844 1.00 65.24 C +ATOM 260 C THR A 39 -12.317 9.010 6.682 1.00 61.79 C +ATOM 261 O THR A 39 -11.129 9.317 6.802 1.00 59.29 O +ATOM 262 CB THR A 39 -13.397 11.015 5.631 1.00 64.54 C +ATOM 263 OG1 THR A 39 -14.317 12.066 5.830 1.00 63.19 O +ATOM 264 CG2 THR A 39 -13.796 10.318 4.337 1.00 63.01 C +ATOM 265 N GLY A 40 -12.717 7.763 6.399 1.00 55.09 N +ATOM 266 CA GLY A 40 -11.773 6.685 6.153 1.00 59.00 C +ATOM 267 C GLY A 40 -10.814 7.014 5.003 1.00 59.22 C +ATOM 268 O GLY A 40 -11.172 7.750 4.084 1.00 58.10 O +ATOM 269 N PRO A 41 -9.577 6.477 5.027 1.00 55.48 N +ATOM 270 CA PRO A 41 -8.620 6.685 3.953 1.00 60.51 C +ATOM 271 C PRO A 41 -9.187 6.184 2.621 1.00 58.36 C +ATOM 272 O PRO A 41 -9.971 5.238 2.573 1.00 57.74 O +ATOM 273 CB PRO A 41 -7.350 5.935 4.372 1.00 60.74 C +ATOM 274 CG PRO A 41 -7.873 4.856 5.312 1.00 59.15 C +ATOM 275 CD PRO A 41 -9.056 5.536 6.003 1.00 58.82 C +ATOM 276 N ALA A 42 -8.772 6.829 1.516 1.00 61.77 N +ATOM 277 CA ALA A 42 -9.138 6.378 0.184 1.00 67.30 C +ATOM 278 C ALA A 42 -8.660 4.932 -0.040 1.00 65.09 C +ATOM 279 O ALA A 42 -7.537 4.591 0.333 1.00 60.80 O +ATOM 280 CB ALA A 42 -8.548 7.338 -0.863 1.00 65.18 C +ATOM 281 N GLY A 43 -9.513 4.105 -0.660 1.00 55.06 N +ATOM 282 CA GLY A 43 -9.157 2.727 -0.995 1.00 59.36 C +ATOM 283 C GLY A 43 -7.897 2.669 -1.876 1.00 59.94 C +ATOM 284 O GLY A 43 -7.636 3.594 -2.652 1.00 57.39 O +ATOM 285 N PRO A 44 -7.103 1.583 -1.774 1.00 54.57 N +ATOM 286 CA PRO A 44 -5.918 1.411 -2.590 1.00 59.18 C +ATOM 287 C PRO A 44 -6.272 1.433 -4.082 1.00 57.89 C +ATOM 288 O PRO A 44 -7.356 1.025 -4.498 1.00 56.34 O +ATOM 289 CB PRO A 44 -5.284 0.083 -2.155 1.00 58.94 C +ATOM 290 CG PRO A 44 -6.468 -0.699 -1.591 1.00 56.91 C +ATOM 291 CD PRO A 44 -7.339 0.395 -0.967 1.00 56.43 C +ATOM 292 N ARG A 45 -5.333 1.936 -4.902 1.00 58.07 N +ATOM 293 CA ARG A 45 -5.485 1.945 -6.360 1.00 64.29 C +ATOM 294 C ARG A 45 -5.619 0.506 -6.864 1.00 61.57 C +ATOM 295 O ARG A 45 -4.780 -0.327 -6.544 1.00 58.01 O +ATOM 296 CB ARG A 45 -4.280 2.667 -6.967 1.00 63.09 C +ATOM 297 CG ARG A 45 -4.380 2.852 -8.485 1.00 60.36 C +ATOM 298 CD ARG A 45 -3.165 3.631 -8.968 1.00 61.42 C +ATOM 299 NE ARG A 45 -3.205 3.885 -10.411 1.00 58.34 N +ATOM 300 CZ ARG A 45 -2.303 4.564 -11.106 1.00 52.44 C +ATOM 301 NH1 ARG A 45 -1.253 5.075 -10.541 1.00 52.52 N +ATOM 302 NH2 ARG A 45 -2.444 4.727 -12.380 1.00 50.47 N +ATOM 303 N GLY A 46 -6.656 0.235 -7.675 1.00 54.76 N +ATOM 304 CA GLY A 46 -6.810 -1.072 -8.308 1.00 57.39 C +ATOM 305 C GLY A 46 -5.562 -1.456 -9.108 1.00 58.62 C +ATOM 306 O GLY A 46 -4.962 -0.605 -9.764 1.00 55.32 O +ATOM 307 N LEU A 47 -5.171 -2.729 -9.036 1.00 55.90 N +ATOM 308 CA LEU A 47 -4.046 -3.251 -9.804 1.00 61.88 C +ATOM 309 C LEU A 47 -4.335 -3.109 -11.308 1.00 60.11 C +ATOM 310 O LEU A 47 -5.483 -3.229 -11.732 1.00 58.36 O +ATOM 311 CB LEU A 47 -3.766 -4.713 -9.418 1.00 60.54 C +ATOM 312 CG LEU A 47 -3.284 -4.924 -7.974 1.00 56.93 C +ATOM 313 CD1 LEU A 47 -3.163 -6.415 -7.671 1.00 55.53 C +ATOM 314 CD2 LEU A 47 -1.937 -4.261 -7.706 1.00 53.61 C +ATOM 315 N PRO A 48 -3.306 -2.826 -12.136 1.00 59.94 N +ATOM 316 CA PRO A 48 -3.457 -2.875 -13.585 1.00 65.03 C +ATOM 317 C PRO A 48 -3.983 -4.255 -14.011 1.00 62.89 C +ATOM 318 O PRO A 48 -3.486 -5.261 -13.525 1.00 60.78 O +ATOM 319 CB PRO A 48 -2.069 -2.598 -14.171 1.00 64.70 C +ATOM 320 CG PRO A 48 -1.334 -1.891 -13.041 1.00 60.34 C +ATOM 321 CD PRO A 48 -1.931 -2.495 -11.783 1.00 60.92 C +ATOM 322 N GLY A 49 -4.962 -4.277 -14.930 1.00 55.96 N +ATOM 323 CA GLY A 49 -5.395 -5.538 -15.533 1.00 58.79 C +ATOM 324 C GLY A 49 -4.219 -6.241 -16.221 1.00 60.50 C +ATOM 325 O GLY A 49 -3.356 -5.580 -16.804 1.00 58.17 O +ATOM 326 N GLU A 50 -4.192 -7.578 -16.153 1.00 51.70 N +ATOM 327 CA GLU A 50 -3.163 -8.385 -16.807 1.00 58.82 C +ATOM 328 C GLU A 50 -3.144 -8.109 -18.307 1.00 57.01 C +ATOM 329 O GLU A 50 -4.171 -7.874 -18.954 1.00 55.93 O +ATOM 330 CB GLU A 50 -3.361 -9.876 -16.504 1.00 58.34 C +ATOM 331 CG GLU A 50 -3.146 -10.180 -15.004 1.00 55.32 C +ATOM 332 CD GLU A 50 -3.160 -11.683 -14.679 1.00 51.84 C +ATOM 333 OE1 GLU A 50 -2.626 -12.010 -13.600 1.00 49.80 O +ATOM 334 OE2 GLU A 50 -3.711 -12.450 -15.485 1.00 49.47 O +ATOM 335 N ARG A 51 -1.936 -8.043 -18.870 1.00 60.28 N +ATOM 336 CA ARG A 51 -1.751 -7.881 -20.312 1.00 66.26 C +ATOM 337 C ARG A 51 -2.283 -9.143 -20.982 1.00 62.89 C +ATOM 338 O ARG A 51 -1.796 -10.221 -20.679 1.00 59.26 O +ATOM 339 CB ARG A 51 -0.270 -7.637 -20.601 1.00 64.51 C +ATOM 340 CG ARG A 51 -0.015 -7.188 -22.043 1.00 60.57 C +ATOM 341 CD ARG A 51 1.485 -6.984 -22.260 1.00 59.60 C +ATOM 342 NE ARG A 51 1.770 -5.950 -23.251 1.00 58.23 N +ATOM 343 CZ ARG A 51 2.949 -5.420 -23.506 1.00 53.25 C +ATOM 344 NH1 ARG A 51 4.042 -5.851 -22.935 1.00 54.07 N +ATOM 345 NH2 ARG A 51 3.059 -4.423 -24.335 1.00 52.25 N +ATOM 346 N GLY A 52 -3.253 -8.987 -21.900 1.00 55.87 N +ATOM 347 CA GLY A 52 -3.715 -10.122 -22.697 1.00 57.87 C +ATOM 348 C GLY A 52 -2.546 -10.831 -23.383 1.00 59.71 C +ATOM 349 O GLY A 52 -1.614 -10.163 -23.848 1.00 57.50 O +ATOM 350 N GLU A 53 -2.589 -12.169 -23.440 1.00 49.48 N +ATOM 351 CA GLU A 53 -1.561 -12.985 -24.086 1.00 55.17 C +ATOM 352 C GLU A 53 -1.376 -12.554 -25.540 1.00 52.32 C +ATOM 353 O GLU A 53 -2.322 -12.226 -26.262 1.00 51.66 O +ATOM 354 CB GLU A 53 -1.892 -14.473 -23.990 1.00 55.68 C +ATOM 355 CG GLU A 53 -1.847 -15.001 -22.540 1.00 52.66 C +ATOM 356 CD GLU A 53 -1.999 -16.530 -22.448 1.00 50.12 C +ATOM 357 OE1 GLU A 53 -1.592 -17.078 -21.405 1.00 48.23 O +ATOM 358 OE2 GLU A 53 -2.501 -17.133 -23.427 1.00 48.87 O +ATOM 359 N GLN A 54 -0.117 -12.496 -25.972 1.00 56.77 N +ATOM 360 CA GLN A 54 0.219 -12.160 -27.347 1.00 61.59 C +ATOM 361 C GLN A 54 -0.300 -13.270 -28.262 1.00 58.18 C +ATOM 362 O GLN A 54 0.088 -14.421 -28.121 1.00 54.91 O +ATOM 363 CB GLN A 54 1.738 -11.951 -27.444 1.00 61.13 C +ATOM 364 CG GLN A 54 2.203 -11.535 -28.838 1.00 58.07 C +ATOM 365 CD GLN A 54 3.695 -11.188 -28.895 1.00 55.32 C +ATOM 366 OE1 GLN A 54 4.396 -11.084 -27.907 1.00 56.13 O +ATOM 367 NE2 GLN A 54 4.230 -10.970 -30.070 1.00 53.06 N +ATOM 368 N GLY A 55 -1.180 -12.901 -29.205 1.00 54.07 N +ATOM 369 CA GLY A 55 -1.659 -13.852 -30.211 1.00 56.39 C +ATOM 370 C GLY A 55 -0.502 -14.465 -31.019 1.00 57.33 C +ATOM 371 O GLY A 55 0.535 -13.817 -31.178 1.00 55.18 O +ATOM 372 N PRO A 56 -0.659 -15.692 -31.548 1.00 48.57 N +ATOM 373 CA PRO A 56 0.387 -16.376 -32.294 1.00 53.82 C +ATOM 374 C PRO A 56 0.830 -15.554 -33.511 1.00 51.60 C +ATOM 375 O PRO A 56 0.012 -14.938 -34.198 1.00 51.34 O +ATOM 376 CB PRO A 56 -0.192 -17.741 -32.683 1.00 55.25 C +ATOM 377 CG PRO A 56 -1.703 -17.516 -32.665 1.00 54.03 C +ATOM 378 CD PRO A 56 -1.884 -16.487 -31.542 1.00 54.05 C +ATOM 379 N THR A 57 2.137 -15.548 -33.773 1.00 51.29 N +ATOM 380 CA THR A 57 2.759 -14.828 -34.885 1.00 55.54 C +ATOM 381 C THR A 57 2.173 -15.305 -36.223 1.00 52.58 C +ATOM 382 O THR A 57 2.336 -16.462 -36.596 1.00 51.21 O +ATOM 383 CB THR A 57 4.284 -15.045 -34.874 1.00 56.21 C +ATOM 384 OG1 THR A 57 4.802 -14.740 -33.598 1.00 55.33 O +ATOM 385 CG2 THR A 57 5.021 -14.170 -35.871 1.00 56.13 C +ATOM 386 N GLY A 58 1.520 -14.383 -36.948 1.00 49.78 N +ATOM 387 CA GLY A 58 1.119 -14.626 -38.333 1.00 52.18 C +ATOM 388 C GLY A 58 2.339 -14.741 -39.262 1.00 52.77 C +ATOM 389 O GLY A 58 3.345 -14.066 -39.060 1.00 50.59 O +ATOM 390 N LEU A 59 2.244 -15.597 -40.295 1.00 46.39 N +ATOM 391 CA LEU A 59 3.285 -15.763 -41.317 1.00 52.79 C +ATOM 392 C LEU A 59 3.603 -14.416 -42.000 1.00 49.94 C +ATOM 393 O LEU A 59 2.711 -13.626 -42.293 1.00 49.81 O +ATOM 394 CB LEU A 59 2.839 -16.824 -42.340 1.00 53.34 C +ATOM 395 CG LEU A 59 2.797 -18.259 -41.797 1.00 50.91 C +ATOM 396 CD1 LEU A 59 2.071 -19.179 -42.780 1.00 49.72 C +ATOM 397 CD2 LEU A 59 4.202 -18.826 -41.570 1.00 47.81 C +ATOM 398 N ALA A 60 4.895 -14.164 -42.253 1.00 52.91 N +ATOM 399 CA ALA A 60 5.440 -12.899 -42.713 1.00 59.68 C +ATOM 400 C ALA A 60 4.795 -12.387 -44.021 1.00 56.49 C +ATOM 401 O ALA A 60 4.964 -12.970 -45.090 1.00 54.42 O +ATOM 402 CB ALA A 60 6.957 -13.067 -42.867 1.00 59.17 C +ATOM 403 N GLY A 61 4.136 -11.207 -43.922 1.00 50.55 N +ATOM 404 CA GLY A 61 3.815 -10.351 -45.064 1.00 54.57 C +ATOM 405 C GLY A 61 4.902 -9.294 -45.269 1.00 54.33 C +ATOM 406 O GLY A 61 5.537 -8.853 -44.315 1.00 53.03 O +ATOM 407 N LYS A 62 5.148 -8.894 -46.543 1.00 49.41 N +ATOM 408 CA LYS A 62 6.194 -7.931 -46.932 1.00 58.06 C +ATOM 409 C LYS A 62 6.033 -6.580 -46.213 1.00 53.80 C +ATOM 410 O LYS A 62 4.920 -6.108 -46.038 1.00 55.31 O +ATOM 411 CB LYS A 62 6.180 -7.732 -48.457 1.00 58.08 C +ATOM 412 CG LYS A 62 6.625 -8.987 -49.228 1.00 54.49 C +ATOM 413 CD LYS A 62 6.573 -8.738 -50.747 1.00 52.21 C +ATOM 414 CE LYS A 62 7.055 -9.972 -51.502 1.00 49.54 C +ATOM 415 NZ LYS A 62 6.988 -9.781 -52.967 1.00 44.12 N +ATOM 416 N ALA A 63 7.162 -5.947 -45.872 1.00 53.21 N +ATOM 417 CA ALA A 63 7.249 -4.687 -45.143 1.00 59.32 C +ATOM 418 C ALA A 63 6.529 -3.525 -45.858 1.00 56.73 C +ATOM 419 O ALA A 63 6.787 -3.248 -47.021 1.00 54.36 O +ATOM 420 CB ALA A 63 8.741 -4.373 -44.944 1.00 58.63 C +ATOM 421 N GLY A 64 5.683 -2.812 -45.117 1.00 52.25 N +ATOM 422 CA GLY A 64 5.152 -1.491 -45.468 1.00 55.90 C +ATOM 423 C GLY A 64 5.846 -0.406 -44.644 1.00 56.06 C +ATOM 424 O GLY A 64 6.277 -0.658 -43.524 1.00 54.25 O +ATOM 425 N GLU A 65 5.995 0.807 -45.250 1.00 40.68 N +ATOM 426 CA GLU A 65 6.745 1.932 -44.695 1.00 49.04 C +ATOM 427 C GLU A 65 6.152 2.484 -43.381 1.00 45.73 C +ATOM 428 O GLU A 65 4.954 2.406 -43.116 1.00 47.43 O +ATOM 429 CB GLU A 65 6.851 3.059 -45.743 1.00 51.21 C +ATOM 430 CG GLU A 65 7.720 2.659 -46.950 1.00 45.45 C +ATOM 431 CD GLU A 65 7.835 3.774 -48.000 1.00 40.99 C +ATOM 432 OE1 GLU A 65 8.871 3.794 -48.699 1.00 38.55 O +ATOM 433 OE2 GLU A 65 6.890 4.581 -48.109 1.00 42.94 O +ATOM 434 N ALA A 66 7.032 3.070 -42.545 1.00 57.38 N +ATOM 435 CA ALA A 66 6.704 3.578 -41.220 1.00 64.43 C +ATOM 436 C ALA A 66 5.818 4.841 -41.260 1.00 61.69 C +ATOM 437 O ALA A 66 6.172 5.844 -41.866 1.00 59.37 O +ATOM 438 CB ALA A 66 8.023 3.858 -40.488 1.00 64.20 C +ATOM 439 N GLY A 67 4.697 4.824 -40.552 1.00 55.38 N +ATOM 440 CA GLY A 67 3.856 5.999 -40.312 1.00 59.53 C +ATOM 441 C GLY A 67 4.409 6.915 -39.211 1.00 61.16 C +ATOM 442 O GLY A 67 4.994 6.450 -38.234 1.00 59.46 O +ATOM 443 N ALA A 68 4.215 8.249 -39.391 1.00 51.35 N +ATOM 444 CA ALA A 68 4.718 9.289 -38.495 1.00 60.33 C +ATOM 445 C ALA A 68 4.079 9.255 -37.089 1.00 57.79 C +ATOM 446 O ALA A 68 2.922 8.886 -36.906 1.00 56.86 O +ATOM 447 CB ALA A 68 4.526 10.651 -39.178 1.00 59.68 C +ATOM 448 N LYS A 69 4.869 9.696 -36.092 1.00 55.84 N +ATOM 449 CA LYS A 69 4.501 9.765 -34.669 1.00 64.44 C +ATOM 450 C LYS A 69 3.381 10.788 -34.432 1.00 59.94 C +ATOM 451 O LYS A 69 3.554 11.956 -34.747 1.00 59.09 O +ATOM 452 CB LYS A 69 5.778 10.131 -33.895 1.00 63.55 C +ATOM 453 CG LYS A 69 5.632 10.160 -32.365 1.00 62.22 C +ATOM 454 CD LYS A 69 6.994 10.477 -31.725 1.00 62.41 C +ATOM 455 CE LYS A 69 6.891 10.512 -30.201 1.00 59.49 C +ATOM 456 NZ LYS A 69 8.194 10.834 -29.578 1.00 54.13 N +ATOM 457 N GLY A 70 2.271 10.379 -33.831 1.00 57.29 N +ATOM 458 CA GLY A 70 1.179 11.272 -33.425 1.00 60.40 C +ATOM 459 C GLY A 70 1.481 12.068 -32.147 1.00 62.25 C +ATOM 460 O GLY A 70 2.164 11.567 -31.250 1.00 59.83 O +ATOM 461 N GLU A 71 0.966 13.315 -32.086 1.00 47.77 N +ATOM 462 CA GLU A 71 1.143 14.245 -30.965 1.00 56.43 C +ATOM 463 C GLU A 71 0.347 13.825 -29.716 1.00 53.17 C +ATOM 464 O GLU A 71 -0.677 13.156 -29.778 1.00 52.37 O +ATOM 465 CB GLU A 71 0.772 15.677 -31.389 1.00 57.30 C +ATOM 466 CG GLU A 71 1.716 16.236 -32.471 1.00 54.44 C +ATOM 467 CD GLU A 71 1.428 17.705 -32.811 1.00 49.82 C +ATOM 468 OE1 GLU A 71 2.371 18.361 -33.317 1.00 47.57 O +ATOM 469 OE2 GLU A 71 0.292 18.160 -32.578 1.00 49.43 O +ATOM 470 N THR A 72 0.847 14.251 -28.547 1.00 59.27 N +ATOM 471 CA THR A 72 0.254 13.942 -27.236 1.00 64.31 C +ATOM 472 C THR A 72 -0.994 14.805 -26.989 1.00 61.02 C +ATOM 473 O THR A 72 -0.893 16.026 -26.955 1.00 58.45 O +ATOM 474 CB THR A 72 1.283 14.189 -26.125 1.00 64.66 C +ATOM 475 OG1 THR A 72 2.461 13.444 -26.371 1.00 63.20 O +ATOM 476 CG2 THR A 72 0.796 13.782 -24.731 1.00 61.86 C +ATOM 477 N GLY A 73 -2.159 14.188 -26.758 1.00 58.28 N +ATOM 478 CA GLY A 73 -3.402 14.898 -26.419 1.00 61.74 C +ATOM 479 C GLY A 73 -3.490 15.355 -24.955 1.00 62.81 C +ATOM 480 O GLY A 73 -2.833 14.780 -24.083 1.00 61.89 O +ATOM 481 N PRO A 74 -4.323 16.392 -24.664 1.00 55.97 N +ATOM 482 CA PRO A 74 -4.496 16.948 -23.322 1.00 62.11 C +ATOM 483 C PRO A 74 -5.258 16.000 -22.376 1.00 60.09 C +ATOM 484 O PRO A 74 -6.013 15.133 -22.808 1.00 59.87 O +ATOM 485 CB PRO A 74 -5.224 18.283 -23.521 1.00 62.48 C +ATOM 486 CG PRO A 74 -6.047 18.043 -24.786 1.00 60.61 C +ATOM 487 CD PRO A 74 -5.144 17.126 -25.619 1.00 61.10 C +ATOM 488 N ALA A 75 -5.078 16.203 -21.054 1.00 62.65 N +ATOM 489 CA ALA A 75 -5.715 15.404 -20.010 1.00 69.54 C +ATOM 490 C ALA A 75 -7.246 15.584 -19.980 1.00 67.69 C +ATOM 491 O ALA A 75 -7.740 16.711 -19.969 1.00 63.30 O +ATOM 492 CB ALA A 75 -5.082 15.764 -18.663 1.00 68.57 C +ATOM 493 N GLY A 76 -7.991 14.481 -19.943 1.00 59.37 N +ATOM 494 CA GLY A 76 -9.459 14.477 -19.922 1.00 63.59 C +ATOM 495 C GLY A 76 -10.075 14.548 -18.513 1.00 64.72 C +ATOM 496 O GLY A 76 -9.409 14.208 -17.534 1.00 63.58 O +ATOM 497 N PRO A 77 -11.361 14.976 -18.417 1.00 58.08 N +ATOM 498 CA PRO A 77 -12.088 15.082 -17.154 1.00 63.69 C +ATOM 499 C PRO A 77 -12.460 13.712 -16.557 1.00 62.39 C +ATOM 500 O PRO A 77 -12.467 12.688 -17.237 1.00 60.97 O +ATOM 501 CB PRO A 77 -13.326 15.933 -17.477 1.00 62.94 C +ATOM 502 CG PRO A 77 -13.609 15.593 -18.936 1.00 60.29 C +ATOM 503 CD PRO A 77 -12.211 15.390 -19.522 1.00 59.70 C +ATOM 504 N GLN A 78 -12.808 13.710 -15.266 1.00 59.02 N +ATOM 505 CA GLN A 78 -13.186 12.527 -14.480 1.00 65.83 C +ATOM 506 C GLN A 78 -14.435 11.834 -15.055 1.00 62.29 C +ATOM 507 O GLN A 78 -15.467 12.472 -15.213 1.00 59.23 O +ATOM 508 CB GLN A 78 -13.393 13.001 -13.033 1.00 65.96 C +ATOM 509 CG GLN A 78 -13.733 11.903 -12.022 1.00 64.79 C +ATOM 510 CD GLN A 78 -13.822 12.428 -10.584 1.00 62.24 C +ATOM 511 OE1 GLN A 78 -13.504 13.561 -10.265 1.00 63.24 O +ATOM 512 NE2 GLN A 78 -14.247 11.611 -9.640 1.00 59.93 N +ATOM 513 N GLY A 79 -14.342 10.533 -15.344 1.00 58.26 N +ATOM 514 CA GLY A 79 -15.422 9.756 -15.970 1.00 62.17 C +ATOM 515 C GLY A 79 -16.306 8.976 -14.981 1.00 63.64 C +ATOM 516 O GLY A 79 -15.846 8.644 -13.886 1.00 61.88 O +ATOM 517 N PRO A 80 -17.582 8.668 -15.379 1.00 58.79 N +ATOM 518 CA PRO A 80 -18.510 7.858 -14.594 1.00 64.06 C +ATOM 519 C PRO A 80 -18.144 6.360 -14.601 1.00 62.58 C +ATOM 520 O PRO A 80 -17.351 5.891 -15.418 1.00 60.66 O +ATOM 521 CB PRO A 80 -19.890 8.125 -15.211 1.00 62.74 C +ATOM 522 CG PRO A 80 -19.561 8.369 -16.686 1.00 59.46 C +ATOM 523 CD PRO A 80 -18.205 9.081 -16.626 1.00 58.81 C +ATOM 524 N ARG A 81 -18.781 5.582 -13.693 1.00 61.49 N +ATOM 525 CA ARG A 81 -18.616 4.135 -13.490 1.00 68.88 C +ATOM 526 C ARG A 81 -18.815 3.345 -14.789 1.00 64.95 C +ATOM 527 O ARG A 81 -19.840 3.498 -15.437 1.00 60.83 O +ATOM 528 CB ARG A 81 -19.632 3.720 -12.409 1.00 67.03 C +ATOM 529 CG ARG A 81 -19.596 2.238 -12.005 1.00 63.96 C +ATOM 530 CD ARG A 81 -20.595 2.006 -10.876 1.00 63.48 C +ATOM 531 NE ARG A 81 -20.625 0.611 -10.416 1.00 61.36 N +ATOM 532 CZ ARG A 81 -21.224 0.164 -9.321 1.00 57.13 C +ATOM 533 NH1 ARG A 81 -21.888 0.958 -8.527 1.00 56.52 N +ATOM 534 NH2 ARG A 81 -21.167 -1.093 -9.011 1.00 55.41 N +ATOM 535 N GLY A 82 -17.866 2.486 -15.154 1.00 58.36 N +ATOM 536 CA GLY A 82 -17.943 1.669 -16.365 1.00 61.08 C +ATOM 537 C GLY A 82 -18.825 0.419 -16.224 1.00 62.83 C +ATOM 538 O GLY A 82 -18.738 -0.278 -15.219 1.00 60.87 O +ATOM 539 N GLU A 83 -19.637 0.146 -17.260 1.00 54.97 N +ATOM 540 CA GLU A 83 -20.397 -1.098 -17.409 1.00 62.66 C +ATOM 541 C GLU A 83 -19.489 -2.259 -17.861 1.00 59.34 C +ATOM 542 O GLU A 83 -18.448 -2.062 -18.480 1.00 57.91 O +ATOM 543 CB GLU A 83 -21.564 -0.909 -18.393 1.00 61.18 C +ATOM 544 CG GLU A 83 -22.643 0.065 -17.855 1.00 56.40 C +ATOM 545 CD GLU A 83 -23.867 0.191 -18.775 1.00 53.14 C +ATOM 546 OE1 GLU A 83 -24.914 0.645 -18.261 1.00 50.24 O +ATOM 547 OE2 GLU A 83 -23.755 -0.148 -19.969 1.00 51.30 O +ATOM 548 N GLN A 84 -19.906 -3.501 -17.538 1.00 60.37 N +ATOM 549 CA GLN A 84 -19.186 -4.721 -17.905 1.00 65.66 C +ATOM 550 C GLN A 84 -19.184 -4.915 -19.432 1.00 62.25 C +ATOM 551 O GLN A 84 -20.238 -4.925 -20.053 1.00 58.54 O +ATOM 552 CB GLN A 84 -19.845 -5.897 -17.163 1.00 65.72 C +ATOM 553 CG GLN A 84 -19.172 -7.256 -17.397 1.00 63.91 C +ATOM 554 CD GLN A 84 -19.801 -8.390 -16.570 1.00 61.11 C +ATOM 555 OE1 GLN A 84 -20.626 -8.185 -15.695 1.00 62.62 O +ATOM 556 NE2 GLN A 84 -19.422 -9.619 -16.801 1.00 59.84 N +ATOM 557 N GLY A 85 -18.001 -5.061 -20.039 1.00 58.55 N +ATOM 558 CA GLY A 85 -17.881 -5.237 -21.494 1.00 61.97 C +ATOM 559 C GLY A 85 -18.407 -6.589 -21.992 1.00 63.42 C +ATOM 560 O GLY A 85 -18.242 -7.595 -21.303 1.00 61.97 O +ATOM 561 N PRO A 86 -19.006 -6.641 -23.215 1.00 52.59 N +ATOM 562 CA PRO A 86 -19.482 -7.885 -23.810 1.00 58.19 C +ATOM 563 C PRO A 86 -18.321 -8.794 -24.267 1.00 56.75 C +ATOM 564 O PRO A 86 -17.236 -8.334 -24.618 1.00 55.59 O +ATOM 565 CB PRO A 86 -20.382 -7.464 -24.980 1.00 57.86 C +ATOM 566 CG PRO A 86 -19.783 -6.127 -25.410 1.00 55.31 C +ATOM 567 CD PRO A 86 -19.292 -5.516 -24.087 1.00 55.61 C +ATOM 568 N GLN A 87 -18.597 -10.117 -24.293 1.00 55.63 N +ATOM 569 CA GLN A 87 -17.659 -11.144 -24.763 1.00 62.22 C +ATOM 570 C GLN A 87 -17.337 -10.958 -26.258 1.00 58.29 C +ATOM 571 O GLN A 87 -18.237 -10.767 -27.073 1.00 55.66 O +ATOM 572 CB GLN A 87 -18.288 -12.517 -24.461 1.00 62.97 C +ATOM 573 CG GLN A 87 -17.396 -13.721 -24.795 1.00 60.76 C +ATOM 574 CD GLN A 87 -18.021 -15.060 -24.378 1.00 58.20 C +ATOM 575 OE1 GLN A 87 -19.039 -15.134 -23.712 1.00 58.29 O +ATOM 576 NE2 GLN A 87 -17.424 -16.166 -24.744 1.00 54.54 N +ATOM 577 N GLY A 88 -16.047 -10.997 -26.635 1.00 53.83 N +ATOM 578 CA GLY A 88 -15.601 -10.851 -28.023 1.00 57.04 C +ATOM 579 C GLY A 88 -16.044 -12.009 -28.923 1.00 58.13 C +ATOM 580 O GLY A 88 -16.034 -13.164 -28.495 1.00 55.06 O +ATOM 581 N LEU A 89 -16.416 -11.690 -30.179 1.00 50.94 N +ATOM 582 CA LEU A 89 -16.783 -12.683 -31.192 1.00 56.36 C +ATOM 583 C LEU A 89 -15.524 -13.369 -31.779 1.00 54.63 C +ATOM 584 O LEU A 89 -14.486 -12.717 -31.898 1.00 54.21 O +ATOM 585 CB LEU A 89 -17.608 -12.021 -32.312 1.00 55.31 C +ATOM 586 CG LEU A 89 -18.992 -11.490 -31.882 1.00 52.34 C +ATOM 587 CD1 LEU A 89 -19.633 -10.718 -33.036 1.00 51.29 C +ATOM 588 CD2 LEU A 89 -19.949 -12.614 -31.474 1.00 48.88 C +ATOM 589 N PRO A 90 -15.614 -14.647 -32.211 1.00 54.04 N +ATOM 590 CA PRO A 90 -14.529 -15.336 -32.898 1.00 59.33 C +ATOM 591 C PRO A 90 -14.123 -14.641 -34.211 1.00 57.27 C +ATOM 592 O PRO A 90 -14.974 -14.127 -34.938 1.00 56.74 O +ATOM 593 CB PRO A 90 -15.028 -16.766 -33.169 1.00 60.43 C +ATOM 594 CG PRO A 90 -16.163 -16.959 -32.168 1.00 57.16 C +ATOM 595 CD PRO A 90 -16.750 -15.563 -32.009 1.00 57.32 C +ATOM 596 N GLY A 91 -12.824 -14.623 -34.524 1.00 53.31 N +ATOM 597 CA GLY A 91 -12.299 -14.107 -35.796 1.00 56.43 C +ATOM 598 C GLY A 91 -12.742 -14.968 -36.989 1.00 57.69 C +ATOM 599 O GLY A 91 -12.914 -16.175 -36.844 1.00 55.01 O +ATOM 600 N LYS A 92 -12.927 -14.333 -38.171 1.00 52.79 N +ATOM 601 CA LYS A 92 -13.259 -15.041 -39.418 1.00 59.81 C +ATOM 602 C LYS A 92 -12.005 -15.680 -40.026 1.00 58.08 C +ATOM 603 O LYS A 92 -10.943 -15.068 -40.006 1.00 57.82 O +ATOM 604 CB LYS A 92 -13.916 -14.096 -40.438 1.00 57.54 C +ATOM 605 CG LYS A 92 -15.289 -13.560 -39.982 1.00 53.66 C +ATOM 606 CD LYS A 92 -15.892 -12.684 -41.072 1.00 51.48 C +ATOM 607 CE LYS A 92 -17.255 -12.139 -40.645 1.00 48.66 C +ATOM 608 NZ LYS A 92 -17.843 -11.275 -41.694 1.00 43.68 N +ATOM 609 N ASP A 93 -12.159 -16.857 -40.617 1.00 55.52 N +ATOM 610 CA ASP A 93 -11.095 -17.543 -41.349 1.00 61.97 C +ATOM 611 C ASP A 93 -10.635 -16.718 -42.565 1.00 59.14 C +ATOM 612 O ASP A 93 -11.432 -16.042 -43.222 1.00 55.37 O +ATOM 613 CB ASP A 93 -11.556 -18.948 -41.777 1.00 58.83 C +ATOM 614 CG ASP A 93 -11.863 -19.871 -40.588 1.00 55.64 C +ATOM 615 OD1 ASP A 93 -11.177 -19.743 -39.552 1.00 53.98 O +ATOM 616 OD2 ASP A 93 -12.803 -20.688 -40.723 1.00 50.33 O +ATOM 617 N GLY A 94 -9.323 -16.744 -42.871 1.00 51.77 N +ATOM 618 CA GLY A 94 -8.744 -16.056 -44.023 1.00 54.96 C +ATOM 619 C GLY A 94 -9.129 -16.720 -45.351 1.00 56.33 C +ATOM 620 O GLY A 94 -9.190 -17.944 -45.443 1.00 53.47 O +ATOM 621 N GLU A 95 -9.359 -15.895 -46.399 1.00 46.07 N +ATOM 622 CA GLU A 95 -9.665 -16.388 -47.749 1.00 53.21 C +ATOM 623 C GLU A 95 -8.438 -17.073 -48.380 1.00 50.42 C +ATOM 624 O GLU A 95 -7.299 -16.617 -48.258 1.00 50.00 O +ATOM 625 CB GLU A 95 -10.179 -15.250 -48.644 1.00 53.78 C +ATOM 626 CG GLU A 95 -11.573 -14.737 -48.208 1.00 48.21 C +ATOM 627 CD GLU A 95 -12.150 -13.651 -49.133 1.00 44.48 C +ATOM 628 OE1 GLU A 95 -13.392 -13.478 -49.105 1.00 41.97 O +ATOM 629 OE2 GLU A 95 -11.367 -12.981 -49.839 1.00 43.90 O +ATOM 630 N ALA A 96 -8.674 -18.178 -49.096 1.00 57.87 N +ATOM 631 CA ALA A 96 -7.632 -18.897 -49.832 1.00 63.82 C +ATOM 632 C ALA A 96 -7.091 -18.067 -51.007 1.00 61.65 C +ATOM 633 O ALA A 96 -7.854 -17.457 -51.752 1.00 58.68 O +ATOM 634 CB ALA A 96 -8.198 -20.246 -50.293 1.00 61.62 C +ATOM 635 N GLY A 97 -5.765 -18.049 -51.184 1.00 48.95 N +ATOM 636 CA GLY A 97 -5.110 -17.325 -52.275 1.00 53.12 C +ATOM 637 C GLY A 97 -5.511 -17.854 -53.657 1.00 53.99 C +ATOM 638 O GLY A 97 -5.649 -19.061 -53.853 1.00 52.05 O +ATOM 639 N ALA A 98 -5.651 -16.925 -54.644 1.00 47.31 N +ATOM 640 CA ALA A 98 -6.001 -17.262 -56.016 1.00 56.45 C +ATOM 641 C ALA A 98 -4.876 -18.059 -56.725 1.00 55.50 C +ATOM 642 O ALA A 98 -3.693 -17.756 -56.588 1.00 54.30 O +ATOM 643 CB ALA A 98 -6.351 -15.973 -56.768 1.00 55.43 C +ATOM 644 N GLN A 99 -5.270 -19.049 -57.536 1.00 47.02 N +ATOM 645 CA GLN A 99 -4.352 -19.839 -58.365 1.00 56.31 C +ATOM 646 C GLN A 99 -3.704 -18.962 -59.449 1.00 53.65 C +ATOM 647 O GLN A 99 -4.382 -18.207 -60.138 1.00 52.03 O +ATOM 648 CB GLN A 99 -5.151 -21.018 -58.957 1.00 57.43 C +ATOM 649 CG GLN A 99 -4.304 -22.001 -59.776 1.00 53.42 C +ATOM 650 CD GLN A 99 -5.106 -23.212 -60.266 1.00 48.95 C +ATOM 651 OE1 GLN A 99 -6.228 -23.478 -59.871 1.00 48.82 O +ATOM 652 NE2 GLN A 99 -4.548 -24.005 -61.145 1.00 47.32 N +ATOM 653 N GLY A 100 -2.378 -19.028 -59.591 1.00 47.25 N +ATOM 654 CA GLY A 100 -1.635 -18.256 -60.590 1.00 51.49 C +ATOM 655 C GLY A 100 -1.981 -18.648 -62.041 1.00 52.33 C +ATOM 656 O GLY A 100 -2.363 -19.792 -62.279 1.00 51.57 O +ATOM 657 N PRO A 101 -1.818 -17.709 -63.037 1.00 45.97 N +ATOM 658 CA PRO A 101 -2.108 -17.973 -64.438 1.00 53.84 C +ATOM 659 C PRO A 101 -1.132 -19.005 -65.035 1.00 51.95 C +ATOM 660 O PRO A 101 0.046 -19.061 -64.663 1.00 52.65 O +ATOM 661 CB PRO A 101 -2.031 -16.618 -65.146 1.00 55.62 C +ATOM 662 CG PRO A 101 -1.052 -15.829 -64.279 1.00 52.85 C +ATOM 663 CD PRO A 101 -1.336 -16.339 -62.863 1.00 52.47 C +ATOM 664 N ALA A 102 -1.608 -19.782 -66.031 1.00 51.88 N +ATOM 665 CA ALA A 102 -0.777 -20.735 -66.764 1.00 59.54 C +ATOM 666 C ALA A 102 0.315 -20.011 -67.584 1.00 56.99 C +ATOM 667 O ALA A 102 0.056 -19.001 -68.219 1.00 54.58 O +ATOM 668 CB ALA A 102 -1.679 -21.593 -67.661 1.00 58.87 C +ATOM 669 N GLY A 103 1.545 -20.519 -67.548 1.00 47.66 N +ATOM 670 CA GLY A 103 2.680 -19.942 -68.272 1.00 52.18 C +ATOM 671 C GLY A 103 2.545 -20.060 -69.799 1.00 52.34 C +ATOM 672 O GLY A 103 1.895 -20.982 -70.288 1.00 52.17 O +ATOM 673 N PRO A 104 3.187 -19.132 -70.584 1.00 46.00 N +ATOM 674 CA PRO A 104 3.160 -19.172 -72.036 1.00 53.41 C +ATOM 675 C PRO A 104 3.927 -20.384 -72.590 1.00 51.68 C +ATOM 676 O PRO A 104 4.893 -20.870 -71.994 1.00 52.14 O +ATOM 677 CB PRO A 104 3.770 -17.835 -72.494 1.00 54.79 C +ATOM 678 CG PRO A 104 4.713 -17.476 -71.345 1.00 52.34 C +ATOM 679 CD PRO A 104 3.991 -18.014 -70.114 1.00 52.46 C +ATOM 680 N MET A 105 3.501 -20.851 -73.787 1.00 51.38 N +ATOM 681 CA MET A 105 4.158 -21.950 -74.505 1.00 60.32 C +ATOM 682 C MET A 105 5.577 -21.549 -74.945 1.00 60.45 C +ATOM 683 O MET A 105 5.771 -20.484 -75.517 1.00 57.95 O +ATOM 684 CB MET A 105 3.275 -22.347 -75.697 1.00 59.45 C +ATOM 685 CG MET A 105 3.677 -23.669 -76.346 1.00 53.30 C +ATOM 686 SD MET A 105 2.462 -24.268 -77.573 1.00 50.61 S +ATOM 687 CE MET A 105 2.708 -23.068 -78.894 1.00 46.01 C +ATOM 688 N GLY A 106 6.589 -22.373 -74.663 1.00 46.77 N +ATOM 689 CA GLY A 106 7.996 -22.076 -74.955 1.00 50.48 C +ATOM 690 C GLY A 106 8.317 -22.050 -76.459 1.00 50.74 C +ATOM 691 O GLY A 106 7.674 -22.759 -77.227 1.00 50.36 O +ATOM 692 N PRO A 107 9.328 -21.226 -76.910 1.00 46.58 N +ATOM 693 CA PRO A 107 9.792 -21.187 -78.289 1.00 52.14 C +ATOM 694 C PRO A 107 10.513 -22.485 -78.687 1.00 50.29 C +ATOM 695 O PRO A 107 11.009 -23.236 -77.840 1.00 50.87 O +ATOM 696 CB PRO A 107 10.689 -19.946 -78.389 1.00 53.26 C +ATOM 697 CG PRO A 107 11.256 -19.816 -76.978 1.00 52.14 C +ATOM 698 CD PRO A 107 10.107 -20.296 -76.085 1.00 52.13 C +ATOM 699 N ALA A 108 10.572 -22.742 -80.022 1.00 53.47 N +ATOM 700 CA ALA A 108 11.270 -23.904 -80.572 1.00 60.90 C +ATOM 701 C ALA A 108 12.782 -23.861 -80.284 1.00 59.39 C +ATOM 702 O ALA A 108 13.399 -22.807 -80.369 1.00 56.44 O +ATOM 703 CB ALA A 108 10.979 -23.990 -82.081 1.00 58.60 C +ATOM 704 N GLY A 109 13.382 -25.001 -79.933 1.00 48.36 N +ATOM 705 CA GLY A 109 14.762 -25.082 -79.467 1.00 52.04 C +ATOM 706 C GLY A 109 15.807 -24.714 -80.525 1.00 53.06 C +ATOM 707 O GLY A 109 15.773 -25.213 -81.644 1.00 51.31 O +ATOM 708 N GLU A 110 16.776 -23.860 -80.141 1.00 45.82 N +ATOM 709 CA GLU A 110 17.964 -23.536 -80.927 1.00 51.80 C +ATOM 710 C GLU A 110 19.043 -24.620 -80.798 1.00 50.41 C +ATOM 711 O GLU A 110 19.083 -25.422 -79.853 1.00 50.02 O +ATOM 712 CB GLU A 110 18.501 -22.132 -80.569 1.00 50.99 C +ATOM 713 CG GLU A 110 17.501 -21.032 -80.989 1.00 47.14 C +ATOM 714 CD GLU A 110 18.071 -19.613 -80.888 1.00 43.78 C +ATOM 715 OE1 GLU A 110 17.497 -18.727 -81.577 1.00 42.03 O +ATOM 716 OE2 GLU A 110 19.045 -19.413 -80.135 1.00 42.56 O +ATOM 717 N ARG A 111 19.920 -24.674 -81.810 1.00 50.66 N +ATOM 718 CA ARG A 111 21.008 -25.660 -81.898 1.00 55.86 C +ATOM 719 C ARG A 111 22.047 -25.403 -80.800 1.00 52.59 C +ATOM 720 O ARG A 111 22.551 -24.302 -80.686 1.00 51.75 O +ATOM 721 CB ARG A 111 21.619 -25.548 -83.302 1.00 55.86 C +ATOM 722 CG ARG A 111 22.697 -26.594 -83.593 1.00 51.21 C +ATOM 723 CD ARG A 111 23.190 -26.405 -85.029 1.00 51.30 C +ATOM 724 NE ARG A 111 24.148 -27.445 -85.443 1.00 48.72 N +ATOM 725 CZ ARG A 111 24.677 -27.583 -86.640 1.00 45.75 C +ATOM 726 NH1 ARG A 111 24.397 -26.752 -87.614 1.00 46.06 N +ATOM 727 NH2 ARG A 111 25.493 -28.556 -86.895 1.00 44.36 N +ATOM 728 N GLY A 112 22.413 -26.421 -80.058 1.00 52.87 N +ATOM 729 CA GLY A 112 23.295 -26.298 -78.901 1.00 55.55 C +ATOM 730 C GLY A 112 24.661 -25.697 -79.227 1.00 56.33 C +ATOM 731 O GLY A 112 25.374 -26.189 -80.103 1.00 53.95 O +ATOM 732 N GLU A 113 25.049 -24.633 -78.478 1.00 48.00 N +ATOM 733 CA GLU A 113 26.375 -24.023 -78.513 1.00 54.51 C +ATOM 734 C GLU A 113 27.376 -24.815 -77.667 1.00 52.39 C +ATOM 735 O GLU A 113 27.039 -25.608 -76.786 1.00 52.34 O +ATOM 736 CB GLU A 113 26.311 -22.538 -78.115 1.00 54.29 C +ATOM 737 CG GLU A 113 25.509 -21.712 -79.137 1.00 50.93 C +ATOM 738 CD GLU A 113 25.708 -20.198 -78.976 1.00 47.77 C +ATOM 739 OE1 GLU A 113 25.549 -19.497 -80.006 1.00 46.40 O +ATOM 740 OE2 GLU A 113 26.049 -19.766 -77.853 1.00 46.97 O +ATOM 741 N LYS A 114 28.681 -24.629 -78.026 1.00 59.71 N +ATOM 742 CA LYS A 114 29.799 -25.291 -77.344 1.00 65.39 C +ATOM 743 C LYS A 114 29.890 -24.792 -75.902 1.00 60.86 C +ATOM 744 O LYS A 114 29.952 -23.601 -75.677 1.00 60.85 O +ATOM 745 CB LYS A 114 31.072 -24.989 -78.145 1.00 63.74 C +ATOM 746 CG LYS A 114 32.336 -25.666 -77.605 1.00 58.45 C +ATOM 747 CD LYS A 114 33.518 -25.310 -78.509 1.00 57.65 C +ATOM 748 CE LYS A 114 34.803 -25.965 -78.014 1.00 54.82 C +ATOM 749 NZ LYS A 114 35.956 -25.599 -78.860 1.00 50.18 N +ATOM 750 N GLY A 115 29.964 -25.683 -74.936 1.00 57.06 N +ATOM 751 CA GLY A 115 29.989 -25.341 -73.517 1.00 58.81 C +ATOM 752 C GLY A 115 31.135 -24.395 -73.141 1.00 59.19 C +ATOM 753 O GLY A 115 32.288 -24.670 -73.454 1.00 56.07 O +ATOM 754 N GLU A 116 30.810 -23.286 -72.478 1.00 45.21 N +ATOM 755 CA GLU A 116 31.764 -22.339 -71.916 1.00 52.26 C +ATOM 756 C GLU A 116 32.463 -22.913 -70.664 1.00 49.78 C +ATOM 757 O GLU A 116 31.919 -23.789 -69.983 1.00 50.83 O +ATOM 758 CB GLU A 116 31.080 -21.001 -71.598 1.00 52.65 C +ATOM 759 CG GLU A 116 30.584 -20.271 -72.861 1.00 49.10 C +ATOM 760 CD GLU A 116 30.183 -18.813 -72.575 1.00 45.49 C +ATOM 761 OE1 GLU A 116 30.330 -17.992 -73.516 1.00 43.84 O +ATOM 762 OE2 GLU A 116 29.788 -18.520 -71.425 1.00 46.06 O +ATOM 763 N PRO A 117 33.715 -22.421 -70.364 1.00 55.15 N +ATOM 764 CA PRO A 117 34.383 -22.788 -69.116 1.00 60.28 C +ATOM 765 C PRO A 117 33.531 -22.398 -67.902 1.00 56.87 C +ATOM 766 O PRO A 117 32.984 -21.299 -67.849 1.00 57.17 O +ATOM 767 CB PRO A 117 35.727 -22.036 -69.111 1.00 62.14 C +ATOM 768 CG PRO A 117 35.957 -21.674 -70.571 1.00 57.25 C +ATOM 769 CD PRO A 117 34.553 -21.493 -71.123 1.00 58.69 C +ATOM 770 N GLY A 118 33.460 -23.250 -66.901 1.00 53.79 N +ATOM 771 CA GLY A 118 32.690 -22.997 -65.690 1.00 56.54 C +ATOM 772 C GLY A 118 33.105 -21.694 -64.997 1.00 56.78 C +ATOM 773 O GLY A 118 34.289 -21.460 -64.762 1.00 54.52 O +ATOM 774 N THR A 119 32.144 -20.841 -64.673 1.00 44.60 N +ATOM 775 CA THR A 119 32.371 -19.592 -63.941 1.00 50.23 C +ATOM 776 C THR A 119 32.771 -19.879 -62.494 1.00 47.91 C +ATOM 777 O THR A 119 32.293 -20.825 -61.861 1.00 47.80 O +ATOM 778 CB THR A 119 31.144 -18.671 -64.002 1.00 50.29 C +ATOM 779 OG1 THR A 119 29.985 -19.362 -63.594 1.00 46.97 O +ATOM 780 CG2 THR A 119 30.886 -18.171 -65.427 1.00 46.32 C +ATOM 781 N GLN A 120 33.696 -19.038 -61.985 1.00 48.24 N +ATOM 782 CA GLN A 120 34.104 -19.107 -60.584 1.00 54.47 C +ATOM 783 C GLN A 120 32.877 -18.914 -59.678 1.00 51.43 C +ATOM 784 O GLN A 120 32.108 -17.977 -59.865 1.00 50.52 O +ATOM 785 CB GLN A 120 35.192 -18.039 -60.345 1.00 54.45 C +ATOM 786 CG GLN A 120 35.759 -18.048 -58.917 1.00 49.35 C +ATOM 787 CD GLN A 120 36.920 -17.053 -58.734 1.00 44.86 C +ATOM 788 OE1 GLN A 120 37.403 -16.400 -59.638 1.00 43.64 O +ATOM 789 NE2 GLN A 120 37.430 -16.904 -57.528 1.00 43.27 N +ATOM 790 N GLY A 121 32.694 -19.765 -58.681 1.00 51.25 N +ATOM 791 CA GLY A 121 31.566 -19.688 -57.755 1.00 54.15 C +ATOM 792 C GLY A 121 31.500 -18.334 -57.045 1.00 53.89 C +ATOM 793 O GLY A 121 32.526 -17.804 -56.614 1.00 51.97 O +ATOM 794 N ALA A 122 30.311 -17.765 -56.946 1.00 48.06 N +ATOM 795 CA ALA A 122 30.088 -16.500 -56.256 1.00 54.80 C +ATOM 796 C ALA A 122 30.516 -16.603 -54.784 1.00 53.26 C +ATOM 797 O ALA A 122 30.341 -17.632 -54.124 1.00 52.83 O +ATOM 798 CB ALA A 122 28.608 -16.099 -56.399 1.00 53.71 C +ATOM 799 N LYS A 123 31.104 -15.492 -54.274 1.00 53.10 N +ATOM 800 CA LYS A 123 31.480 -15.382 -52.858 1.00 59.00 C +ATOM 801 C LYS A 123 30.233 -15.571 -51.985 1.00 55.90 C +ATOM 802 O LYS A 123 29.241 -14.889 -52.204 1.00 55.50 O +ATOM 803 CB LYS A 123 32.137 -14.018 -52.637 1.00 58.05 C +ATOM 804 CG LYS A 123 32.587 -13.799 -51.187 1.00 52.62 C +ATOM 805 CD LYS A 123 33.346 -12.470 -51.072 1.00 51.39 C +ATOM 806 CE LYS A 123 33.830 -12.283 -49.645 1.00 49.56 C +ATOM 807 NZ LYS A 123 34.675 -11.080 -49.524 1.00 45.12 N +ATOM 808 N GLY A 124 30.321 -16.427 -51.000 1.00 53.17 N +ATOM 809 CA GLY A 124 29.204 -16.632 -50.075 1.00 56.09 C +ATOM 810 C GLY A 124 28.841 -15.337 -49.320 1.00 57.42 C +ATOM 811 O GLY A 124 29.724 -14.605 -48.888 1.00 54.41 O +ATOM 812 N ASP A 125 27.561 -15.081 -49.180 1.00 49.17 N +ATOM 813 CA ASP A 125 27.056 -13.930 -48.449 1.00 55.43 C +ATOM 814 C ASP A 125 27.503 -13.967 -46.982 1.00 53.72 C +ATOM 815 O ASP A 125 27.686 -15.023 -46.368 1.00 53.03 O +ATOM 816 CB ASP A 125 25.514 -13.849 -48.554 1.00 54.35 C +ATOM 817 CG ASP A 125 25.039 -13.544 -49.972 1.00 52.07 C +ATOM 818 OD1 ASP A 125 25.711 -12.730 -50.645 1.00 50.13 O +ATOM 819 OD2 ASP A 125 24.015 -14.135 -50.364 1.00 47.34 O +ATOM 820 N ARG A 126 27.732 -12.759 -46.406 1.00 53.30 N +ATOM 821 CA ARG A 126 28.063 -12.636 -44.987 1.00 57.64 C +ATOM 822 C ARG A 126 26.871 -13.111 -44.164 1.00 54.74 C +ATOM 823 O ARG A 126 25.761 -12.653 -44.389 1.00 53.53 O +ATOM 824 CB ARG A 126 28.453 -11.184 -44.670 1.00 57.31 C +ATOM 825 CG ARG A 126 28.903 -11.003 -43.207 1.00 52.80 C +ATOM 826 CD ARG A 126 29.339 -9.553 -42.975 1.00 53.22 C +ATOM 827 NE ARG A 126 29.824 -9.344 -41.610 1.00 51.75 N +ATOM 828 CZ ARG A 126 30.307 -8.212 -41.112 1.00 48.00 C +ATOM 829 NH1 ARG A 126 30.391 -7.131 -41.834 1.00 48.87 N +ATOM 830 NH2 ARG A 126 30.704 -8.148 -39.873 1.00 46.64 N +ATOM 831 N GLY A 127 27.106 -13.957 -43.200 1.00 57.05 N +ATOM 832 CA GLY A 127 26.043 -14.393 -42.293 1.00 58.85 C +ATOM 833 C GLY A 127 25.404 -13.202 -41.559 1.00 60.32 C +ATOM 834 O GLY A 127 26.103 -12.272 -41.157 1.00 56.90 O +ATOM 835 N GLU A 128 24.098 -13.236 -41.404 1.00 50.98 N +ATOM 836 CA GLU A 128 23.348 -12.213 -40.672 1.00 57.10 C +ATOM 837 C GLU A 128 23.784 -12.155 -39.206 1.00 54.99 C +ATOM 838 O GLU A 128 24.160 -13.155 -38.588 1.00 54.55 O +ATOM 839 CB GLU A 128 21.832 -12.467 -40.783 1.00 56.78 C +ATOM 840 CG GLU A 128 21.321 -12.331 -42.232 1.00 53.18 C +ATOM 841 CD GLU A 128 19.797 -12.462 -42.352 1.00 50.29 C +ATOM 842 OE1 GLU A 128 19.273 -12.053 -43.413 1.00 48.94 O +ATOM 843 OE2 GLU A 128 19.171 -12.973 -41.399 1.00 48.91 O +ATOM 844 N THR A 129 23.776 -10.926 -38.649 1.00 59.99 N +ATOM 845 CA THR A 129 24.029 -10.727 -37.219 1.00 62.63 C +ATOM 846 C THR A 129 22.906 -11.396 -36.425 1.00 59.83 C +ATOM 847 O THR A 129 21.738 -11.222 -36.745 1.00 56.98 O +ATOM 848 CB THR A 129 24.124 -9.233 -36.886 1.00 61.80 C +ATOM 849 OG1 THR A 129 25.143 -8.639 -37.655 1.00 58.92 O +ATOM 850 CG2 THR A 129 24.474 -8.958 -35.427 1.00 59.16 C +ATOM 851 N GLY A 130 23.263 -12.134 -35.399 1.00 58.67 N +ATOM 852 CA GLY A 130 22.264 -12.751 -34.532 1.00 60.74 C +ATOM 853 C GLY A 130 21.342 -11.709 -33.878 1.00 61.51 C +ATOM 854 O GLY A 130 21.769 -10.578 -33.647 1.00 58.47 O +ATOM 855 N PRO A 131 20.096 -12.063 -33.556 1.00 56.78 N +ATOM 856 CA PRO A 131 19.169 -11.143 -32.914 1.00 61.24 C +ATOM 857 C PRO A 131 19.706 -10.684 -31.553 1.00 58.84 C +ATOM 858 O PRO A 131 20.391 -11.437 -30.844 1.00 57.51 O +ATOM 859 CB PRO A 131 17.845 -11.910 -32.785 1.00 60.68 C +ATOM 860 CG PRO A 131 18.286 -13.375 -32.767 1.00 58.44 C +ATOM 861 CD PRO A 131 19.506 -13.379 -33.693 1.00 59.39 C +ATOM 862 N VAL A 132 19.376 -9.430 -31.167 1.00 61.30 N +ATOM 863 CA VAL A 132 19.669 -8.903 -29.830 1.00 65.82 C +ATOM 864 C VAL A 132 18.961 -9.769 -28.782 1.00 63.63 C +ATOM 865 O VAL A 132 17.805 -10.154 -28.968 1.00 59.80 O +ATOM 866 CB VAL A 132 19.268 -7.418 -29.719 1.00 63.48 C +ATOM 867 CG1 VAL A 132 19.536 -6.832 -28.333 1.00 59.34 C +ATOM 868 CG2 VAL A 132 20.030 -6.563 -30.731 1.00 59.91 C +ATOM 869 N GLY A 133 19.660 -10.082 -27.708 1.00 58.08 N +ATOM 870 CA GLY A 133 19.077 -10.839 -26.612 1.00 60.50 C +ATOM 871 C GLY A 133 17.854 -10.137 -26.001 1.00 62.31 C +ATOM 872 O GLY A 133 17.774 -8.908 -26.022 1.00 59.73 O +ATOM 873 N PRO A 134 16.910 -10.887 -25.436 1.00 57.09 N +ATOM 874 CA PRO A 134 15.754 -10.286 -24.795 1.00 61.55 C +ATOM 875 C PRO A 134 16.186 -9.367 -23.642 1.00 59.45 C +ATOM 876 O PRO A 134 17.172 -9.632 -22.949 1.00 57.71 O +ATOM 877 CB PRO A 134 14.887 -11.455 -24.311 1.00 61.06 C +ATOM 878 CG PRO A 134 15.891 -12.590 -24.138 1.00 58.24 C +ATOM 879 CD PRO A 134 16.910 -12.325 -25.250 1.00 58.44 C +ATOM 880 N ARG A 135 15.418 -8.273 -23.433 1.00 61.15 N +ATOM 881 CA ARG A 135 15.638 -7.372 -22.293 1.00 65.79 C +ATOM 882 C ARG A 135 15.460 -8.139 -20.987 1.00 64.07 C +ATOM 883 O ARG A 135 14.516 -8.912 -20.855 1.00 60.63 O +ATOM 884 CB ARG A 135 14.684 -6.186 -22.406 1.00 62.99 C +ATOM 885 CG ARG A 135 14.986 -5.116 -21.348 1.00 58.38 C +ATOM 886 CD ARG A 135 14.100 -3.898 -21.571 1.00 57.15 C +ATOM 887 NE ARG A 135 14.442 -2.843 -20.605 1.00 56.05 N +ATOM 888 CZ ARG A 135 13.889 -1.646 -20.536 1.00 50.10 C +ATOM 889 NH1 ARG A 135 12.921 -1.290 -21.340 1.00 50.37 N +ATOM 890 NH2 ARG A 135 14.311 -0.784 -19.654 1.00 49.20 N +ATOM 891 N GLY A 136 16.347 -7.880 -20.016 1.00 58.15 N +ATOM 892 CA GLY A 136 16.235 -8.472 -18.692 1.00 59.96 C +ATOM 893 C GLY A 136 14.912 -8.118 -18.000 1.00 61.70 C +ATOM 894 O GLY A 136 14.359 -7.035 -18.203 1.00 58.84 O +ATOM 895 N GLU A 137 14.425 -9.037 -17.186 1.00 55.42 N +ATOM 896 CA GLU A 137 13.221 -8.826 -16.383 1.00 61.30 C +ATOM 897 C GLU A 137 13.416 -7.660 -15.405 1.00 59.32 C +ATOM 898 O GLU A 137 14.522 -7.369 -14.934 1.00 57.70 O +ATOM 899 CB GLU A 137 12.821 -10.106 -15.651 1.00 59.92 C +ATOM 900 CG GLU A 137 12.418 -11.215 -16.648 1.00 55.73 C +ATOM 901 CD GLU A 137 11.926 -12.505 -15.966 1.00 52.42 C +ATOM 902 OE1 GLU A 137 11.324 -13.320 -16.697 1.00 50.05 O +ATOM 903 OE2 GLU A 137 12.184 -12.663 -14.754 1.00 49.51 O +ATOM 904 N ARG A 138 12.317 -6.933 -15.119 1.00 62.38 N +ATOM 905 CA ARG A 138 12.338 -5.859 -14.123 1.00 65.96 C +ATOM 906 C ARG A 138 12.633 -6.463 -12.754 1.00 64.65 C +ATOM 907 O ARG A 138 12.035 -7.468 -12.395 1.00 61.25 O +ATOM 908 CB ARG A 138 11.003 -5.086 -14.148 1.00 63.68 C +ATOM 909 CG ARG A 138 11.008 -3.867 -13.213 1.00 59.33 C +ATOM 910 CD ARG A 138 9.703 -3.069 -13.324 1.00 58.12 C +ATOM 911 NE ARG A 138 9.719 -1.889 -12.454 1.00 57.18 N +ATOM 912 CZ ARG A 138 8.733 -1.030 -12.239 1.00 51.70 C +ATOM 913 NH1 ARG A 138 7.590 -1.126 -12.855 1.00 52.19 N +ATOM 914 NH2 ARG A 138 8.874 -0.049 -11.390 1.00 50.72 N +ATOM 915 N GLY A 139 13.534 -5.823 -11.986 1.00 58.55 N +ATOM 916 CA GLY A 139 13.794 -6.236 -10.617 1.00 59.97 C +ATOM 917 C GLY A 139 12.533 -6.174 -9.754 1.00 60.91 C +ATOM 918 O GLY A 139 11.686 -5.300 -9.952 1.00 58.42 O +ATOM 919 N GLU A 140 12.430 -7.098 -8.806 1.00 53.37 N +ATOM 920 CA GLU A 140 11.344 -7.101 -7.826 1.00 57.93 C +ATOM 921 C GLU A 140 11.345 -5.812 -6.998 1.00 55.24 C +ATOM 922 O GLU A 140 12.399 -5.229 -6.714 1.00 54.50 O +ATOM 923 CB GLU A 140 11.438 -8.333 -6.910 1.00 58.17 C +ATOM 924 CG GLU A 140 11.226 -9.655 -7.684 1.00 54.30 C +ATOM 925 CD GLU A 140 11.245 -10.898 -6.773 1.00 51.83 C +ATOM 926 OE1 GLU A 140 10.784 -11.956 -7.252 1.00 50.30 O +ATOM 927 OE2 GLU A 140 11.732 -10.782 -5.626 1.00 49.96 O +ATOM 928 N ALA A 141 10.140 -5.336 -6.615 1.00 60.57 N +ATOM 929 CA ALA A 141 10.018 -4.196 -5.723 1.00 63.02 C +ATOM 930 C ALA A 141 10.663 -4.516 -4.360 1.00 61.75 C +ATOM 931 O ALA A 141 10.595 -5.639 -3.876 1.00 58.83 O +ATOM 932 CB ALA A 141 8.538 -3.814 -5.587 1.00 61.35 C +ATOM 933 N GLY A 142 11.289 -3.508 -3.749 1.00 57.09 N +ATOM 934 CA GLY A 142 11.816 -3.659 -2.400 1.00 58.49 C +ATOM 935 C GLY A 142 10.703 -3.988 -1.396 1.00 59.14 C +ATOM 936 O GLY A 142 9.569 -3.553 -1.583 1.00 57.25 O +ATOM 937 N PRO A 143 11.021 -4.726 -0.315 1.00 55.37 N +ATOM 938 CA PRO A 143 10.046 -4.995 0.734 1.00 59.82 C +ATOM 939 C PRO A 143 9.555 -3.686 1.361 1.00 57.18 C +ATOM 940 O PRO A 143 10.304 -2.710 1.460 1.00 55.85 O +ATOM 941 CB PRO A 143 10.766 -5.888 1.746 1.00 60.82 C +ATOM 942 CG PRO A 143 12.240 -5.531 1.556 1.00 58.81 C +ATOM 943 CD PRO A 143 12.330 -5.233 0.058 1.00 59.65 C +ATOM 944 N ALA A 144 8.284 -3.675 1.809 1.00 60.09 N +ATOM 945 CA ALA A 144 7.735 -2.554 2.556 1.00 63.23 C +ATOM 946 C ALA A 144 8.582 -2.255 3.812 1.00 61.65 C +ATOM 947 O ALA A 144 9.169 -3.160 4.418 1.00 58.94 O +ATOM 948 CB ALA A 144 6.266 -2.840 2.908 1.00 61.86 C +ATOM 949 N GLY A 145 8.658 -0.975 4.181 1.00 58.27 N +ATOM 950 CA GLY A 145 9.291 -0.571 5.426 1.00 60.48 C +ATOM 951 C GLY A 145 8.594 -1.215 6.629 1.00 61.90 C +ATOM 952 O GLY A 145 7.389 -1.432 6.609 1.00 60.17 O +ATOM 953 N LYS A 146 9.367 -1.532 7.667 1.00 58.18 N +ATOM 954 CA LYS A 146 8.790 -2.019 8.926 1.00 64.20 C +ATOM 955 C LYS A 146 7.953 -0.918 9.576 1.00 63.26 C +ATOM 956 O LYS A 146 8.319 0.254 9.501 1.00 62.48 O +ATOM 957 CB LYS A 146 9.888 -2.490 9.891 1.00 62.08 C +ATOM 958 CG LYS A 146 10.675 -3.693 9.344 1.00 58.06 C +ATOM 959 CD LYS A 146 11.713 -4.146 10.372 1.00 56.32 C +ATOM 960 CE LYS A 146 12.514 -5.335 9.835 1.00 53.20 C +ATOM 961 NZ LYS A 146 13.519 -5.789 10.813 1.00 47.35 N +ATOM 962 N ASP A 147 6.873 -1.325 10.254 1.00 64.61 N +ATOM 963 CA ASP A 147 6.080 -0.403 11.062 1.00 69.76 C +ATOM 964 C ASP A 147 6.954 0.287 12.111 1.00 69.41 C +ATOM 965 O ASP A 147 7.932 -0.281 12.613 1.00 65.78 O +ATOM 966 CB ASP A 147 4.896 -1.131 11.715 1.00 66.69 C +ATOM 967 CG ASP A 147 3.904 -1.683 10.693 1.00 62.54 C +ATOM 968 OD1 ASP A 147 3.823 -1.111 9.576 1.00 59.79 O +ATOM 969 OD2 ASP A 147 3.248 -2.701 11.016 1.00 57.29 O +ATOM 970 N GLY A 148 6.613 1.550 12.415 1.00 64.86 N +ATOM 971 CA GLY A 148 7.274 2.280 13.480 1.00 66.78 C +ATOM 972 C GLY A 148 7.073 1.592 14.836 1.00 68.50 C +ATOM 973 O GLY A 148 6.029 1.012 15.104 1.00 66.37 O +ATOM 974 N GLU A 149 8.086 1.656 15.677 1.00 58.72 N +ATOM 975 CA GLU A 149 7.975 1.142 17.044 1.00 65.00 C +ATOM 976 C GLU A 149 6.881 1.903 17.811 1.00 63.84 C +ATOM 977 O GLU A 149 6.719 3.121 17.668 1.00 62.58 O +ATOM 978 CB GLU A 149 9.316 1.218 17.780 1.00 64.05 C +ATOM 979 CG GLU A 149 10.369 0.279 17.152 1.00 59.25 C +ATOM 980 CD GLU A 149 11.711 0.254 17.901 1.00 55.36 C +ATOM 981 OE1 GLU A 149 12.506 -0.675 17.612 1.00 52.85 O +ATOM 982 OE2 GLU A 149 11.962 1.159 18.726 1.00 52.14 O +ATOM 983 N ARG A 150 6.122 1.171 18.644 1.00 63.86 N +ATOM 984 CA ARG A 150 5.121 1.771 19.530 1.00 68.49 C +ATOM 985 C ARG A 150 5.796 2.761 20.475 1.00 66.16 C +ATOM 986 O ARG A 150 6.852 2.472 21.036 1.00 62.02 O +ATOM 987 CB ARG A 150 4.365 0.665 20.283 1.00 66.62 C +ATOM 988 CG ARG A 150 3.154 1.216 21.066 1.00 63.21 C +ATOM 989 CD ARG A 150 2.359 0.083 21.709 1.00 62.47 C +ATOM 990 NE ARG A 150 1.129 0.588 22.337 1.00 59.52 N +ATOM 991 CZ ARG A 150 0.223 -0.121 22.997 1.00 54.27 C +ATOM 992 NH1 ARG A 150 0.346 -1.395 23.203 1.00 54.11 N +ATOM 993 NH2 ARG A 150 -0.840 0.460 23.465 1.00 52.15 N +ATOM 994 N GLY A 151 5.180 3.926 20.652 1.00 67.91 N +ATOM 995 CA GLY A 151 5.670 4.914 21.605 1.00 68.50 C +ATOM 996 C GLY A 151 5.762 4.336 23.028 1.00 70.11 C +ATOM 997 O GLY A 151 4.986 3.445 23.381 1.00 68.33 O +ATOM 998 N PRO A 152 6.691 4.834 23.852 1.00 64.18 N +ATOM 999 CA PRO A 152 6.796 4.390 25.236 1.00 68.62 C +ATOM 1000 C PRO A 152 5.495 4.685 25.999 1.00 66.33 C +ATOM 1001 O PRO A 152 4.837 5.706 25.757 1.00 63.84 O +ATOM 1002 CB PRO A 152 7.994 5.136 25.827 1.00 68.34 C +ATOM 1003 CG PRO A 152 8.081 6.403 24.974 1.00 65.57 C +ATOM 1004 CD PRO A 152 7.619 5.918 23.598 1.00 67.00 C +ATOM 1005 N VAL A 153 5.159 3.801 26.942 1.00 70.94 N +ATOM 1006 CA VAL A 153 4.046 4.022 27.872 1.00 74.92 C +ATOM 1007 C VAL A 153 4.289 5.319 28.655 1.00 73.71 C +ATOM 1008 O VAL A 153 5.419 5.603 29.061 1.00 69.57 O +ATOM 1009 CB VAL A 153 3.860 2.810 28.812 1.00 71.92 C +ATOM 1010 CG1 VAL A 153 2.707 2.999 29.801 1.00 66.02 C +ATOM 1011 CG2 VAL A 153 3.575 1.533 28.019 1.00 67.36 C +ATOM 1012 N GLY A 154 3.237 6.112 28.829 1.00 67.16 N +ATOM 1013 CA GLY A 154 3.298 7.325 29.626 1.00 67.84 C +ATOM 1014 C GLY A 154 3.743 7.041 31.074 1.00 69.01 C +ATOM 1015 O GLY A 154 3.525 5.946 31.581 1.00 68.00 O +ATOM 1016 N PRO A 155 4.364 8.007 31.736 1.00 64.25 N +ATOM 1017 CA PRO A 155 4.758 7.843 33.137 1.00 68.73 C +ATOM 1018 C PRO A 155 3.533 7.560 34.013 1.00 66.16 C +ATOM 1019 O PRO A 155 2.445 8.093 33.755 1.00 63.58 O +ATOM 1020 CB PRO A 155 5.462 9.148 33.525 1.00 68.63 C +ATOM 1021 CG PRO A 155 4.849 10.179 32.572 1.00 66.70 C +ATOM 1022 CD PRO A 155 4.612 9.364 31.295 1.00 67.79 C +ATOM 1023 N ALA A 156 3.734 6.752 35.054 1.00 70.49 N +ATOM 1024 CA ALA A 156 2.691 6.503 36.047 1.00 74.02 C +ATOM 1025 C ALA A 156 2.168 7.818 36.657 1.00 71.87 C +ATOM 1026 O ALA A 156 2.902 8.805 36.789 1.00 67.65 O +ATOM 1027 CB ALA A 156 3.239 5.555 37.125 1.00 72.20 C +ATOM 1028 N GLY A 157 0.875 7.807 36.993 1.00 68.38 N +ATOM 1029 CA GLY A 157 0.266 8.914 37.719 1.00 69.39 C +ATOM 1030 C GLY A 157 0.965 9.168 39.055 1.00 70.12 C +ATOM 1031 O GLY A 157 1.549 8.263 39.648 1.00 68.46 O +ATOM 1032 N LYS A 158 0.925 10.407 39.507 1.00 65.55 N +ATOM 1033 CA LYS A 158 1.452 10.741 40.833 1.00 70.54 C +ATOM 1034 C LYS A 158 0.602 10.067 41.910 1.00 69.19 C +ATOM 1035 O LYS A 158 -0.617 9.999 41.765 1.00 68.06 O +ATOM 1036 CB LYS A 158 1.467 12.261 41.054 1.00 68.14 C +ATOM 1037 CG LYS A 158 2.428 12.980 40.103 1.00 64.18 C +ATOM 1038 CD LYS A 158 2.435 14.477 40.398 1.00 62.14 C +ATOM 1039 CE LYS A 158 3.387 15.203 39.433 1.00 58.55 C +ATOM 1040 NZ LYS A 158 3.423 16.651 39.686 1.00 52.17 N +ATOM 1041 N ASP A 159 1.261 9.654 42.981 1.00 69.03 N +ATOM 1042 CA ASP A 159 0.578 9.106 44.154 1.00 72.86 C +ATOM 1043 C ASP A 159 -0.516 10.062 44.653 1.00 70.60 C +ATOM 1044 O ASP A 159 -0.395 11.294 44.582 1.00 66.09 O +ATOM 1045 CB ASP A 159 1.579 8.805 45.280 1.00 70.33 C +ATOM 1046 CG ASP A 159 2.640 7.772 44.905 1.00 65.98 C +ATOM 1047 OD1 ASP A 159 2.392 6.981 43.966 1.00 62.92 O +ATOM 1048 OD2 ASP A 159 3.728 7.828 45.519 1.00 60.86 O +ATOM 1049 N GLY A 160 -1.613 9.469 45.157 1.00 74.29 N +ATOM 1050 CA GLY A 160 -2.681 10.218 45.791 1.00 74.43 C +ATOM 1051 C GLY A 160 -2.176 10.997 47.011 1.00 75.04 C +ATOM 1052 O GLY A 160 -1.258 10.575 47.710 1.00 72.55 O +ATOM 1053 N GLN A 161 -2.783 12.129 47.230 1.00 63.82 N +ATOM 1054 CA GLN A 161 -2.478 12.888 48.450 1.00 67.94 C +ATOM 1055 C GLN A 161 -2.970 12.109 49.681 1.00 67.30 C +ATOM 1056 O GLN A 161 -4.025 11.476 49.636 1.00 64.64 O +ATOM 1057 CB GLN A 161 -3.112 14.285 48.397 1.00 66.51 C +ATOM 1058 CG GLN A 161 -2.462 15.162 47.313 1.00 63.12 C +ATOM 1059 CD GLN A 161 -3.027 16.574 47.241 1.00 57.97 C +ATOM 1060 OE1 GLN A 161 -4.031 16.930 47.840 1.00 58.03 O +ATOM 1061 NE2 GLN A 161 -2.416 17.458 46.488 1.00 53.50 N +ATOM 1062 N ASN A 162 -2.219 12.194 50.772 1.00 73.75 N +ATOM 1063 CA ASN A 162 -2.638 11.618 52.044 1.00 76.17 C +ATOM 1064 C ASN A 162 -4.019 12.152 52.450 1.00 73.91 C +ATOM 1065 O ASN A 162 -4.366 13.306 52.182 1.00 69.70 O +ATOM 1066 CB ASN A 162 -1.582 11.924 53.127 1.00 72.97 C +ATOM 1067 CG ASN A 162 -0.256 11.213 52.897 1.00 67.37 C +ATOM 1068 OD1 ASN A 162 -0.130 10.292 52.117 1.00 63.97 O +ATOM 1069 ND2 ASN A 162 0.786 11.628 53.583 1.00 61.01 N +ATOM 1070 N GLY A 163 -4.807 11.286 53.084 1.00 75.22 N +ATOM 1071 CA GLY A 163 -6.073 11.695 53.674 1.00 75.43 C +ATOM 1072 C GLY A 163 -5.870 12.795 54.724 1.00 76.42 C +ATOM 1073 O GLY A 163 -4.809 12.901 55.332 1.00 74.56 O +ATOM 1074 N GLN A 164 -6.899 13.604 54.894 1.00 65.92 N +ATOM 1075 CA GLN A 164 -6.883 14.602 55.959 1.00 69.92 C +ATOM 1076 C GLN A 164 -6.925 13.915 57.324 1.00 69.60 C +ATOM 1077 O GLN A 164 -7.595 12.888 57.484 1.00 67.09 O +ATOM 1078 CB GLN A 164 -8.076 15.571 55.812 1.00 68.55 C +ATOM 1079 CG GLN A 164 -7.924 16.463 54.564 1.00 64.96 C +ATOM 1080 CD GLN A 164 -9.080 17.447 54.382 1.00 60.66 C +ATOM 1081 OE1 GLN A 164 -10.129 17.391 54.997 1.00 59.47 O +ATOM 1082 NE2 GLN A 164 -8.947 18.409 53.497 1.00 54.87 N +ATOM 1083 N ASP A 165 -6.245 14.501 58.281 1.00 71.97 N +ATOM 1084 CA ASP A 165 -6.281 14.023 59.668 1.00 74.45 C +ATOM 1085 C ASP A 165 -7.720 13.935 60.184 1.00 73.20 C +ATOM 1086 O ASP A 165 -8.601 14.726 59.823 1.00 67.97 O +ATOM 1087 CB ASP A 165 -5.443 14.939 60.580 1.00 71.34 C +ATOM 1088 CG ASP A 165 -3.955 14.963 60.230 1.00 67.71 C +ATOM 1089 OD1 ASP A 165 -3.472 13.986 59.616 1.00 64.55 O +ATOM 1090 OD2 ASP A 165 -3.310 15.988 60.558 1.00 62.16 O +ATOM 1091 N GLY A 166 -7.968 12.932 61.022 1.00 75.59 N +ATOM 1092 CA GLY A 166 -9.252 12.787 61.696 1.00 75.30 C +ATOM 1093 C GLY A 166 -9.582 14.015 62.552 1.00 76.05 C +ATOM 1094 O GLY A 166 -8.704 14.679 63.095 1.00 73.82 O +ATOM 1095 N LEU A 167 -10.877 14.284 62.679 1.00 69.13 N +ATOM 1096 CA LEU A 167 -11.326 15.370 63.551 1.00 72.66 C +ATOM 1097 C LEU A 167 -10.955 15.063 65.020 1.00 72.43 C +ATOM 1098 O LEU A 167 -11.018 13.900 65.420 1.00 71.52 O +ATOM 1099 CB LEU A 167 -12.844 15.582 63.411 1.00 71.04 C +ATOM 1100 CG LEU A 167 -13.299 16.101 62.037 1.00 65.87 C +ATOM 1101 CD1 LEU A 167 -14.821 16.157 61.990 1.00 63.05 C +ATOM 1102 CD2 LEU A 167 -12.766 17.503 61.730 1.00 61.62 C +ATOM 1103 N PRO A 168 -10.644 16.088 65.811 1.00 72.73 N +ATOM 1104 CA PRO A 168 -10.412 15.918 67.238 1.00 75.23 C +ATOM 1105 C PRO A 168 -11.565 15.168 67.922 1.00 72.78 C +ATOM 1106 O PRO A 168 -12.732 15.318 67.563 1.00 69.76 O +ATOM 1107 CB PRO A 168 -10.242 17.331 67.813 1.00 73.92 C +ATOM 1108 CG PRO A 168 -9.728 18.137 66.618 1.00 69.13 C +ATOM 1109 CD PRO A 168 -10.425 17.491 65.429 1.00 71.26 C +ATOM 1110 N GLY A 169 -11.219 14.345 68.891 1.00 74.84 N +ATOM 1111 CA GLY A 169 -12.209 13.699 69.741 1.00 74.03 C +ATOM 1112 C GLY A 169 -13.085 14.724 70.473 1.00 74.27 C +ATOM 1113 O GLY A 169 -12.667 15.858 70.710 1.00 73.00 O +ATOM 1114 N LYS A 170 -14.318 14.300 70.807 1.00 70.99 N +ATOM 1115 CA LYS A 170 -15.204 15.161 71.605 1.00 74.43 C +ATOM 1116 C LYS A 170 -14.686 15.254 73.035 1.00 74.77 C +ATOM 1117 O LYS A 170 -14.255 14.250 73.590 1.00 74.22 O +ATOM 1118 CB LYS A 170 -16.649 14.620 71.604 1.00 71.06 C +ATOM 1119 CG LYS A 170 -17.274 14.684 70.206 1.00 65.33 C +ATOM 1120 CD LYS A 170 -18.726 14.209 70.251 1.00 62.55 C +ATOM 1121 CE LYS A 170 -19.318 14.281 68.842 1.00 58.53 C +ATOM 1122 NZ LYS A 170 -20.739 13.874 68.819 1.00 51.87 N +ATOM 1123 N ASP A 171 -14.837 16.419 73.608 1.00 73.51 N +ATOM 1124 CA ASP A 171 -14.504 16.635 75.013 1.00 74.88 C +ATOM 1125 C ASP A 171 -15.223 15.627 75.919 1.00 72.81 C +ATOM 1126 O ASP A 171 -16.352 15.178 75.647 1.00 68.82 O +ATOM 1127 CB ASP A 171 -14.841 18.080 75.429 1.00 72.16 C +ATOM 1128 CG ASP A 171 -14.062 19.140 74.642 1.00 67.45 C +ATOM 1129 OD1 ASP A 171 -12.963 18.811 74.139 1.00 64.34 O +ATOM 1130 OD2 ASP A 171 -14.605 20.254 74.491 1.00 62.45 O +ATOM 1131 N GLY A 172 -14.556 15.237 76.976 1.00 74.74 N +ATOM 1132 CA GLY A 172 -15.139 14.395 78.009 1.00 73.57 C +ATOM 1133 C GLY A 172 -16.361 15.064 78.652 1.00 73.61 C +ATOM 1134 O GLY A 172 -16.487 16.279 78.678 1.00 72.27 O +ATOM 1135 N LYS A 173 -17.284 14.212 79.150 1.00 70.27 N +ATOM 1136 CA LYS A 173 -18.439 14.750 79.884 1.00 72.70 C +ATOM 1137 C LYS A 173 -17.990 15.306 81.235 1.00 72.17 C +ATOM 1138 O LYS A 173 -17.227 14.649 81.931 1.00 71.19 O +ATOM 1139 CB LYS A 173 -19.514 13.676 80.098 1.00 69.62 C +ATOM 1140 CG LYS A 173 -20.152 13.222 78.786 1.00 63.53 C +ATOM 1141 CD LYS A 173 -21.263 12.202 79.068 1.00 61.66 C +ATOM 1142 CE LYS A 173 -21.903 11.740 77.757 1.00 57.58 C +ATOM 1143 NZ LYS A 173 -22.988 10.772 78.002 1.00 51.33 N +ATOM 1144 N ASP A 174 -18.551 16.442 81.576 1.00 69.90 N +ATOM 1145 CA ASP A 174 -18.314 17.033 82.888 1.00 71.35 C +ATOM 1146 C ASP A 174 -18.605 16.038 84.016 1.00 69.70 C +ATOM 1147 O ASP A 174 -19.542 15.223 83.949 1.00 66.31 O +ATOM 1148 CB ASP A 174 -19.166 18.300 83.082 1.00 69.12 C +ATOM 1149 CG ASP A 174 -18.850 19.420 82.085 1.00 63.97 C +ATOM 1150 OD1 ASP A 174 -17.708 19.444 81.595 1.00 60.78 O +ATOM 1151 OD2 ASP A 174 -19.778 20.206 81.815 1.00 58.93 O +ATOM 1152 N GLY A 175 -17.813 16.092 85.049 1.00 68.46 N +ATOM 1153 CA GLY A 175 -18.015 15.307 86.258 1.00 67.83 C +ATOM 1154 C GLY A 175 -19.359 15.619 86.931 1.00 67.74 C +ATOM 1155 O GLY A 175 -19.850 16.743 86.891 1.00 66.38 O +ATOM 1156 N GLN A 176 -19.939 14.586 87.516 1.00 63.82 N +ATOM 1157 CA GLN A 176 -21.177 14.805 88.286 1.00 66.32 C +ATOM 1158 C GLN A 176 -20.870 15.538 89.600 1.00 65.60 C +ATOM 1159 O GLN A 176 -19.971 15.134 90.338 1.00 63.50 O +ATOM 1160 CB GLN A 176 -21.896 13.473 88.553 1.00 64.78 C +ATOM 1161 CG GLN A 176 -22.456 12.849 87.261 1.00 60.56 C +ATOM 1162 CD GLN A 176 -23.259 11.573 87.509 1.00 57.26 C +ATOM 1163 OE1 GLN A 176 -23.301 10.983 88.573 1.00 55.56 O +ATOM 1164 NE2 GLN A 176 -23.946 11.065 86.500 1.00 51.11 N +ATOM 1165 N ASN A 177 -21.655 16.551 89.900 1.00 69.47 N +ATOM 1166 CA ASN A 177 -21.537 17.253 91.177 1.00 70.07 C +ATOM 1167 C ASN A 177 -21.755 16.283 92.343 1.00 67.74 C +ATOM 1168 O ASN A 177 -22.738 15.533 92.380 1.00 64.24 O +ATOM 1169 CB ASN A 177 -22.548 18.417 91.232 1.00 67.22 C +ATOM 1170 CG ASN A 177 -22.205 19.561 90.285 1.00 60.64 C +ATOM 1171 OD1 ASN A 177 -21.096 19.698 89.811 1.00 57.85 O +ATOM 1172 ND2 ASN A 177 -23.144 20.431 89.982 1.00 55.60 N +ATOM 1173 N GLY A 178 -20.856 16.311 93.291 1.00 64.73 N +ATOM 1174 CA GLY A 178 -20.990 15.531 94.514 1.00 64.10 C +ATOM 1175 C GLY A 178 -22.147 16.035 95.383 1.00 63.47 C +ATOM 1176 O GLY A 178 -22.403 17.236 95.446 1.00 60.59 O +ATOM 1177 N LYS A 179 -22.826 15.075 96.042 1.00 72.68 N +ATOM 1178 CA LYS A 179 -23.695 15.439 97.171 1.00 74.53 C +ATOM 1179 C LYS A 179 -22.786 15.560 98.392 1.00 74.29 C +ATOM 1180 O LYS A 179 -22.267 14.545 98.847 1.00 71.11 O +ATOM 1181 CB LYS A 179 -24.807 14.402 97.378 1.00 70.93 C +ATOM 1182 CG LYS A 179 -25.829 14.408 96.240 1.00 64.44 C +ATOM 1183 CD LYS A 179 -26.968 13.427 96.533 1.00 61.57 C +ATOM 1184 CE LYS A 179 -28.001 13.436 95.393 1.00 57.46 C +ATOM 1185 NZ LYS A 179 -29.131 12.501 95.669 1.00 49.34 N +ATOM 1186 N ASP A 180 -22.561 16.767 98.823 1.00 67.92 N +ATOM 1187 CA ASP A 180 -21.743 17.108 99.994 1.00 70.35 C +ATOM 1188 C ASP A 180 -20.231 16.783 99.889 1.00 70.50 C +ATOM 1189 O ASP A 180 -19.566 16.482 100.875 1.00 65.67 O +ATOM 1190 CB ASP A 180 -22.419 16.600 101.291 1.00 66.55 C +ATOM 1191 CG ASP A 180 -23.896 17.003 101.354 1.00 59.98 C +ATOM 1192 OD1 ASP A 180 -24.187 18.182 101.034 1.00 56.24 O +ATOM 1193 OD2 ASP A 180 -24.740 16.126 101.661 1.00 54.49 O +ATOM 1194 N GLY A 181 -19.650 16.863 98.715 1.00 63.55 N +ATOM 1195 CA GLY A 181 -18.210 16.690 98.460 1.00 65.20 C +ATOM 1196 C GLY A 181 -17.814 17.052 97.021 1.00 66.30 C +ATOM 1197 O GLY A 181 -18.693 17.272 96.187 1.00 64.53 O +ATOM 1198 N PRO A 182 -16.482 17.112 96.704 1.00 66.56 N +ATOM 1199 CA PRO A 182 -16.032 17.382 95.344 1.00 69.19 C +ATOM 1200 C PRO A 182 -16.508 16.271 94.388 1.00 68.83 C +ATOM 1201 O PRO A 182 -16.413 15.078 94.706 1.00 65.19 O +ATOM 1202 CB PRO A 182 -14.499 17.497 95.415 1.00 67.52 C +ATOM 1203 CG PRO A 182 -14.136 16.695 96.654 1.00 63.88 C +ATOM 1204 CD PRO A 182 -15.337 16.880 97.587 1.00 65.76 C +ATOM 1205 N GLY A 183 -17.038 16.638 93.258 1.00 66.91 N +ATOM 1206 CA GLY A 183 -17.431 15.714 92.198 1.00 68.10 C +ATOM 1207 C GLY A 183 -16.221 14.985 91.612 1.00 69.06 C +ATOM 1208 O GLY A 183 -15.092 15.457 91.720 1.00 68.18 O +ATOM 1209 N LYS A 184 -16.441 13.783 90.984 1.00 69.28 N +ATOM 1210 CA LYS A 184 -15.390 13.070 90.255 1.00 72.63 C +ATOM 1211 C LYS A 184 -15.153 13.758 88.919 1.00 73.29 C +ATOM 1212 O LYS A 184 -16.124 14.131 88.252 1.00 72.16 O +ATOM 1213 CB LYS A 184 -15.752 11.594 90.036 1.00 69.12 C +ATOM 1214 CG LYS A 184 -15.811 10.805 91.352 1.00 62.89 C +ATOM 1215 CD LYS A 184 -16.100 9.327 91.075 1.00 61.01 C +ATOM 1216 CE LYS A 184 -16.156 8.571 92.399 1.00 56.50 C +ATOM 1217 NZ LYS A 184 -16.417 7.119 92.200 1.00 50.33 N +ATOM 1218 N ASP A 185 -13.875 13.836 88.510 1.00 71.24 N +ATOM 1219 CA ASP A 185 -13.511 14.366 87.205 1.00 72.79 C +ATOM 1220 C ASP A 185 -14.230 13.613 86.076 1.00 72.12 C +ATOM 1221 O ASP A 185 -14.509 12.410 86.166 1.00 68.81 O +ATOM 1222 CB ASP A 185 -11.984 14.332 87.013 1.00 69.61 C +ATOM 1223 CG ASP A 185 -11.226 15.185 88.040 1.00 64.66 C +ATOM 1224 OD1 ASP A 185 -11.836 16.150 88.558 1.00 61.80 O +ATOM 1225 OD2 ASP A 185 -10.073 14.823 88.345 1.00 60.29 O +ATOM 1226 N GLY A 186 -14.580 14.312 85.025 1.00 74.10 N +ATOM 1227 CA GLY A 186 -15.119 13.737 83.805 1.00 73.47 C +ATOM 1228 C GLY A 186 -14.128 12.773 83.151 1.00 73.94 C +ATOM 1229 O GLY A 186 -12.916 12.872 83.354 1.00 72.68 O +ATOM 1230 N LYS A 187 -14.626 11.780 82.377 1.00 71.67 N +ATOM 1231 CA LYS A 187 -13.745 10.894 81.600 1.00 74.40 C +ATOM 1232 C LYS A 187 -13.152 11.670 80.428 1.00 74.58 C +ATOM 1233 O LYS A 187 -13.885 12.401 79.761 1.00 73.90 O +ATOM 1234 CB LYS A 187 -14.504 9.666 81.080 1.00 70.92 C +ATOM 1235 CG LYS A 187 -14.960 8.735 82.211 1.00 64.66 C +ATOM 1236 CD LYS A 187 -15.609 7.480 81.613 1.00 62.28 C +ATOM 1237 CE LYS A 187 -16.040 6.530 82.727 1.00 57.78 C +ATOM 1238 NZ LYS A 187 -16.587 5.272 82.176 1.00 51.71 N +ATOM 1239 N ASP A 188 -11.878 11.413 80.123 1.00 75.70 N +ATOM 1240 CA ASP A 188 -11.212 11.977 78.957 1.00 77.29 C +ATOM 1241 C ASP A 188 -11.999 11.708 77.669 1.00 76.81 C +ATOM 1242 O ASP A 188 -12.644 10.661 77.502 1.00 72.64 O +ATOM 1243 CB ASP A 188 -9.776 11.430 78.825 1.00 73.68 C +ATOM 1244 CG ASP A 188 -8.875 11.782 80.009 1.00 68.68 C +ATOM 1245 OD1 ASP A 188 -9.149 12.814 80.669 1.00 65.18 O +ATOM 1246 OD2 ASP A 188 -7.954 10.988 80.275 1.00 63.08 O +ATOM 1247 N GLY A 189 -11.962 12.631 76.750 1.00 77.99 N +ATOM 1248 CA GLY A 189 -12.532 12.483 75.414 1.00 77.14 C +ATOM 1249 C GLY A 189 -11.850 11.356 74.630 1.00 77.34 C +ATOM 1250 O GLY A 189 -10.679 11.042 74.843 1.00 75.75 O +ATOM 1251 N GLN A 190 -12.594 10.701 73.726 1.00 72.62 N +ATOM 1252 CA GLN A 190 -12.009 9.696 72.834 1.00 74.90 C +ATOM 1253 C GLN A 190 -11.195 10.379 71.737 1.00 75.22 C +ATOM 1254 O GLN A 190 -11.662 11.358 71.153 1.00 73.24 O +ATOM 1255 CB GLN A 190 -13.097 8.800 72.222 1.00 72.16 C +ATOM 1256 CG GLN A 190 -13.770 7.915 73.287 1.00 66.54 C +ATOM 1257 CD GLN A 190 -14.810 6.958 72.710 1.00 61.88 C +ATOM 1258 OE1 GLN A 190 -15.245 7.011 71.574 1.00 60.60 O +ATOM 1259 NE2 GLN A 190 -15.274 6.016 73.505 1.00 55.96 N +ATOM 1260 N ASN A 191 -10.021 9.809 71.424 1.00 78.29 N +ATOM 1261 CA ASN A 191 -9.225 10.276 70.297 1.00 79.38 C +ATOM 1262 C ASN A 191 -10.042 10.251 69.001 1.00 77.62 C +ATOM 1263 O ASN A 191 -10.889 9.372 68.795 1.00 73.59 O +ATOM 1264 CB ASN A 191 -7.939 9.435 70.172 1.00 75.42 C +ATOM 1265 CG ASN A 191 -6.965 9.625 71.332 1.00 70.11 C +ATOM 1266 OD1 ASN A 191 -7.066 10.547 72.123 1.00 66.87 O +ATOM 1267 ND2 ASN A 191 -5.995 8.763 71.471 1.00 63.90 N +ATOM 1268 N GLY A 192 -9.792 11.187 68.105 1.00 77.50 N +ATOM 1269 CA GLY A 192 -10.329 11.193 66.746 1.00 76.73 C +ATOM 1270 C GLY A 192 -9.899 9.949 65.975 1.00 77.07 C +ATOM 1271 O GLY A 192 -8.878 9.333 66.275 1.00 75.45 O +ATOM 1272 N LYS A 193 -10.712 9.520 64.999 1.00 73.96 N +ATOM 1273 CA LYS A 193 -10.328 8.430 64.088 1.00 77.62 C +ATOM 1274 C LYS A 193 -9.285 8.944 63.099 1.00 77.69 C +ATOM 1275 O LYS A 193 -9.425 10.053 62.606 1.00 76.29 O +ATOM 1276 CB LYS A 193 -11.546 7.881 63.337 1.00 73.92 C +ATOM 1277 CG LYS A 193 -12.553 7.206 64.279 1.00 68.53 C +ATOM 1278 CD LYS A 193 -13.702 6.619 63.465 1.00 66.07 C +ATOM 1279 CE LYS A 193 -14.710 5.951 64.403 1.00 61.91 C +ATOM 1280 NZ LYS A 193 -15.818 5.331 63.646 1.00 55.93 N +ATOM 1281 N ASP A 194 -8.317 8.061 62.743 1.00 76.60 N +ATOM 1282 CA ASP A 194 -7.343 8.360 61.700 1.00 77.67 C +ATOM 1283 C ASP A 194 -8.033 8.701 60.377 1.00 77.02 C +ATOM 1284 O ASP A 194 -9.102 8.176 60.042 1.00 71.74 O +ATOM 1285 CB ASP A 194 -6.369 7.173 61.513 1.00 73.76 C +ATOM 1286 CG ASP A 194 -5.581 6.822 62.774 1.00 70.55 C +ATOM 1287 OD1 ASP A 194 -5.395 7.720 63.623 1.00 67.30 O +ATOM 1288 OD2 ASP A 194 -5.225 5.632 62.911 1.00 64.42 O +ATOM 1289 N GLY A 195 -7.425 9.595 59.603 1.00 78.78 N +ATOM 1290 CA GLY A 195 -7.859 9.923 58.251 1.00 77.81 C +ATOM 1291 C GLY A 195 -7.799 8.701 57.330 1.00 78.47 C +ATOM 1292 O GLY A 195 -6.980 7.800 57.508 1.00 76.25 O +ATOM 1293 N LEU A 196 -8.686 8.644 56.329 1.00 73.54 N +ATOM 1294 CA LEU A 196 -8.638 7.574 55.322 1.00 76.15 C +ATOM 1295 C LEU A 196 -7.412 7.761 54.416 1.00 76.13 C +ATOM 1296 O LEU A 196 -7.074 8.900 54.087 1.00 75.16 O +ATOM 1297 CB LEU A 196 -9.939 7.562 54.492 1.00 73.87 C +ATOM 1298 CG LEU A 196 -11.202 7.180 55.291 1.00 68.42 C +ATOM 1299 CD1 LEU A 196 -12.425 7.327 54.394 1.00 65.42 C +ATOM 1300 CD2 LEU A 196 -11.154 5.747 55.808 1.00 63.79 C +ATOM 1301 N PRO A 197 -6.775 6.657 53.959 1.00 76.22 N +ATOM 1302 CA PRO A 197 -5.709 6.741 52.964 1.00 77.73 C +ATOM 1303 C PRO A 197 -6.135 7.525 51.720 1.00 76.38 C +ATOM 1304 O PRO A 197 -7.299 7.487 51.308 1.00 72.59 O +ATOM 1305 CB PRO A 197 -5.340 5.289 52.614 1.00 75.61 C +ATOM 1306 CG PRO A 197 -5.747 4.508 53.862 1.00 72.61 C +ATOM 1307 CD PRO A 197 -6.971 5.263 54.367 1.00 74.71 C +ATOM 1308 N GLY A 198 -5.190 8.212 51.105 1.00 76.91 N +ATOM 1309 CA GLY A 198 -5.387 8.848 49.809 1.00 76.60 C +ATOM 1310 C GLY A 198 -5.734 7.823 48.721 1.00 77.27 C +ATOM 1311 O GLY A 198 -5.398 6.648 48.829 1.00 75.91 O +ATOM 1312 N LYS A 199 -6.435 8.258 47.666 1.00 73.35 N +ATOM 1313 CA LYS A 199 -6.718 7.394 46.508 1.00 76.74 C +ATOM 1314 C LYS A 199 -5.453 7.226 45.668 1.00 77.46 C +ATOM 1315 O LYS A 199 -4.735 8.197 45.467 1.00 76.47 O +ATOM 1316 CB LYS A 199 -7.845 7.981 45.647 1.00 73.22 C +ATOM 1317 CG LYS A 199 -9.185 8.010 46.393 1.00 68.29 C +ATOM 1318 CD LYS A 199 -10.287 8.550 45.479 1.00 65.00 C +ATOM 1319 CE LYS A 199 -11.604 8.587 46.241 1.00 60.92 C +ATOM 1320 NZ LYS A 199 -12.696 9.118 45.414 1.00 54.31 N +ATOM 1321 N ASP A 200 -5.269 6.017 45.101 1.00 75.93 N +ATOM 1322 CA ASP A 200 -4.181 5.743 44.169 1.00 77.79 C +ATOM 1323 C ASP A 200 -4.209 6.720 42.980 1.00 76.70 C +ATOM 1324 O ASP A 200 -5.274 7.177 42.530 1.00 72.27 O +ATOM 1325 CB ASP A 200 -4.233 4.282 43.684 1.00 74.45 C +ATOM 1326 CG ASP A 200 -4.117 3.260 44.821 1.00 70.42 C +ATOM 1327 OD1 ASP A 200 -3.522 3.610 45.865 1.00 67.56 O +ATOM 1328 OD2 ASP A 200 -4.686 2.164 44.666 1.00 64.80 O +ATOM 1329 N GLY A 201 -3.030 7.046 42.489 1.00 79.53 N +ATOM 1330 CA GLY A 201 -2.872 7.817 41.263 1.00 78.89 C +ATOM 1331 C GLY A 201 -3.474 7.079 40.063 1.00 79.12 C +ATOM 1332 O GLY A 201 -3.560 5.855 40.036 1.00 77.53 O +ATOM 1333 N LYS A 202 -3.897 7.825 39.036 1.00 76.16 N +ATOM 1334 CA LYS A 202 -4.369 7.208 37.784 1.00 78.44 C +ATOM 1335 C LYS A 202 -3.179 6.667 36.993 1.00 78.76 C +ATOM 1336 O LYS A 202 -2.151 7.337 36.912 1.00 77.43 O +ATOM 1337 CB LYS A 202 -5.152 8.213 36.927 1.00 74.47 C +ATOM 1338 CG LYS A 202 -6.467 8.649 37.599 1.00 68.71 C +ATOM 1339 CD LYS A 202 -7.213 9.612 36.669 1.00 65.48 C +ATOM 1340 CE LYS A 202 -8.510 10.067 37.326 1.00 61.34 C +ATOM 1341 NZ LYS A 202 -9.243 11.019 36.454 1.00 54.97 N +ATOM 1342 N ASP A 203 -3.378 5.509 36.328 1.00 75.54 N +ATOM 1343 CA ASP A 203 -2.391 4.957 35.413 1.00 77.98 C +ATOM 1344 C ASP A 203 -2.043 5.965 34.304 1.00 77.70 C +ATOM 1345 O ASP A 203 -2.873 6.768 33.858 1.00 73.57 O +ATOM 1346 CB ASP A 203 -2.890 3.636 34.810 1.00 74.21 C +ATOM 1347 CG ASP A 203 -3.100 2.533 35.857 1.00 69.87 C +ATOM 1348 OD1 ASP A 203 -2.385 2.571 36.882 1.00 66.51 O +ATOM 1349 OD2 ASP A 203 -3.994 1.691 35.626 1.00 63.56 O +ATOM 1350 N GLY A 204 -0.782 5.910 33.861 1.00 79.57 N +ATOM 1351 CA GLY A 204 -0.329 6.675 32.711 1.00 78.93 C +ATOM 1352 C GLY A 204 -1.059 6.253 31.427 1.00 79.33 C +ATOM 1353 O GLY A 204 -1.467 5.111 31.271 1.00 77.86 O +ATOM 1354 N GLN A 205 -1.214 7.185 30.491 1.00 73.91 N +ATOM 1355 CA GLN A 205 -1.793 6.875 29.178 1.00 76.21 C +ATOM 1356 C GLN A 205 -0.787 6.094 28.328 1.00 76.33 C +ATOM 1357 O GLN A 205 0.407 6.376 28.347 1.00 74.25 O +ATOM 1358 CB GLN A 205 -2.243 8.147 28.461 1.00 73.69 C +ATOM 1359 CG GLN A 205 -3.435 8.819 29.177 1.00 69.00 C +ATOM 1360 CD GLN A 205 -3.957 10.062 28.464 1.00 63.34 C +ATOM 1361 OE1 GLN A 205 -3.377 10.609 27.538 1.00 61.91 O +ATOM 1362 NE2 GLN A 205 -5.083 10.584 28.883 1.00 58.23 N +ATOM 1363 N ASP A 206 -1.298 5.136 27.540 1.00 78.79 N +ATOM 1364 CA ASP A 206 -0.493 4.429 26.557 1.00 80.47 C +ATOM 1365 C ASP A 206 0.151 5.406 25.556 1.00 80.23 C +ATOM 1366 O ASP A 206 -0.457 6.402 25.141 1.00 75.77 O +ATOM 1367 CB ASP A 206 -1.344 3.395 25.811 1.00 76.53 C +ATOM 1368 CG ASP A 206 -1.660 2.141 26.615 1.00 72.54 C +ATOM 1369 OD1 ASP A 206 -1.007 1.908 27.655 1.00 68.78 O +ATOM 1370 OD2 ASP A 206 -2.469 1.335 26.091 1.00 66.23 O +ATOM 1371 N GLY A 207 1.371 5.102 25.148 1.00 80.41 N +ATOM 1372 CA GLY A 207 2.032 5.808 24.061 1.00 80.26 C +ATOM 1373 C GLY A 207 1.266 5.662 22.743 1.00 80.41 C +ATOM 1374 O GLY A 207 0.601 4.653 22.496 1.00 78.94 O +ATOM 1375 N LYS A 208 1.371 6.668 21.876 1.00 78.35 N +ATOM 1376 CA LYS A 208 0.776 6.600 20.536 1.00 81.13 C +ATOM 1377 C LYS A 208 1.513 5.568 19.682 1.00 80.95 C +ATOM 1378 O LYS A 208 2.740 5.458 19.770 1.00 80.04 O +ATOM 1379 CB LYS A 208 0.795 7.978 19.851 1.00 77.29 C +ATOM 1380 CG LYS A 208 -0.100 8.991 20.579 1.00 72.28 C +ATOM 1381 CD LYS A 208 -0.098 10.328 19.841 1.00 68.70 C +ATOM 1382 CE LYS A 208 -0.978 11.338 20.596 1.00 64.01 C +ATOM 1383 NZ LYS A 208 -0.999 12.662 19.933 1.00 57.97 N +ATOM 1384 N ASP A 209 0.770 4.865 18.830 1.00 79.13 N +ATOM 1385 CA ASP A 209 1.358 3.948 17.862 1.00 80.86 C +ATOM 1386 C ASP A 209 2.332 4.684 16.925 1.00 80.50 C +ATOM 1387 O ASP A 209 2.142 5.857 16.581 1.00 75.43 O +ATOM 1388 CB ASP A 209 0.258 3.218 17.070 1.00 76.95 C +ATOM 1389 CG ASP A 209 -0.631 2.340 17.949 1.00 73.86 C +ATOM 1390 OD1 ASP A 209 -0.136 1.831 18.989 1.00 69.86 O +ATOM 1391 OD2 ASP A 209 -1.817 2.208 17.596 1.00 66.78 O +ATOM 1392 N GLY A 210 3.387 3.977 16.522 1.00 80.26 N +ATOM 1393 CA GLY A 210 4.330 4.470 15.532 1.00 80.03 C +ATOM 1394 C GLY A 210 3.666 4.695 14.167 1.00 80.19 C +ATOM 1395 O GLY A 210 2.678 4.054 13.821 1.00 77.94 O +ATOM 1396 N LEU A 211 4.213 5.615 13.391 1.00 75.34 N +ATOM 1397 CA LEU A 211 3.748 5.830 12.023 1.00 78.37 C +ATOM 1398 C LEU A 211 4.103 4.613 11.142 1.00 78.24 C +ATOM 1399 O LEU A 211 5.180 4.040 11.338 1.00 77.60 O +ATOM 1400 CB LEU A 211 4.342 7.124 11.436 1.00 75.82 C +ATOM 1401 CG LEU A 211 3.881 8.415 12.141 1.00 70.91 C +ATOM 1402 CD1 LEU A 211 4.632 9.614 11.550 1.00 67.34 C +ATOM 1403 CD2 LEU A 211 2.377 8.667 11.966 1.00 65.57 C +ATOM 1404 N PRO A 212 3.265 4.272 10.131 1.00 78.11 N +ATOM 1405 CA PRO A 212 3.589 3.229 9.170 1.00 80.54 C +ATOM 1406 C PRO A 212 4.955 3.463 8.515 1.00 79.98 C +ATOM 1407 O PRO A 212 5.346 4.598 8.224 1.00 77.21 O +ATOM 1408 CB PRO A 212 2.464 3.242 8.130 1.00 78.46 C +ATOM 1409 CG PRO A 212 1.280 3.811 8.903 1.00 76.52 C +ATOM 1410 CD PRO A 212 1.923 4.800 9.869 1.00 77.95 C +ATOM 1411 N GLY A 213 5.669 2.368 8.252 1.00 79.44 N +ATOM 1412 CA GLY A 213 6.907 2.400 7.486 1.00 79.44 C +ATOM 1413 C GLY A 213 6.694 2.940 6.071 1.00 78.57 C +ATOM 1414 O GLY A 213 5.620 2.820 5.493 1.00 77.46 O +ATOM 1415 N LYS A 214 7.734 3.551 5.496 1.00 77.98 N +ATOM 1416 CA LYS A 214 7.685 4.020 4.106 1.00 79.42 C +ATOM 1417 C LYS A 214 7.717 2.829 3.145 1.00 79.55 C +ATOM 1418 O LYS A 214 8.418 1.856 3.400 1.00 78.44 O +ATOM 1419 CB LYS A 214 8.839 4.983 3.808 1.00 75.95 C +ATOM 1420 CG LYS A 214 8.724 6.276 4.620 1.00 71.00 C +ATOM 1421 CD LYS A 214 9.862 7.241 4.276 1.00 67.15 C +ATOM 1422 CE LYS A 214 9.728 8.502 5.131 1.00 62.35 C +ATOM 1423 NZ LYS A 214 10.824 9.458 4.879 1.00 56.09 N +ATOM 1424 N ASP A 215 7.031 2.980 1.999 1.00 75.72 N +ATOM 1425 CA ASP A 215 7.078 1.997 0.924 1.00 77.48 C +ATOM 1426 C ASP A 215 8.524 1.726 0.472 1.00 76.94 C +ATOM 1427 O ASP A 215 9.382 2.620 0.444 1.00 72.50 O +ATOM 1428 CB ASP A 215 6.227 2.457 -0.270 1.00 74.10 C +ATOM 1429 CG ASP A 215 4.740 2.609 0.052 1.00 70.43 C +ATOM 1430 OD1 ASP A 215 4.267 1.923 0.981 1.00 66.65 O +ATOM 1431 OD2 ASP A 215 4.096 3.440 -0.629 1.00 64.08 O +ATOM 1432 N GLY A 216 8.787 0.467 0.117 1.00 78.44 N +ATOM 1433 CA GLY A 216 10.058 0.066 -0.460 1.00 78.39 C +ATOM 1434 C GLY A 216 10.320 0.770 -1.798 1.00 78.01 C +ATOM 1435 O GLY A 216 9.406 1.109 -2.540 1.00 76.70 O +ATOM 1436 N LYS A 217 11.600 0.990 -2.111 1.00 76.39 N +ATOM 1437 CA LYS A 217 11.982 1.570 -3.401 1.00 78.73 C +ATOM 1438 C LYS A 217 11.730 0.563 -4.529 1.00 78.85 C +ATOM 1439 O LYS A 217 11.967 -0.632 -4.359 1.00 77.55 O +ATOM 1440 CB LYS A 217 13.446 2.013 -3.397 1.00 74.87 C +ATOM 1441 CG LYS A 217 13.701 3.179 -2.437 1.00 69.18 C +ATOM 1442 CD LYS A 217 15.168 3.609 -2.498 1.00 66.17 C +ATOM 1443 CE LYS A 217 15.425 4.753 -1.508 1.00 60.49 C +ATOM 1444 NZ LYS A 217 16.850 5.152 -1.496 1.00 54.64 N +ATOM 1445 N ASP A 218 11.320 1.082 -5.695 1.00 74.70 N +ATOM 1446 CA ASP A 218 11.192 0.270 -6.905 1.00 76.75 C +ATOM 1447 C ASP A 218 12.504 -0.464 -7.229 1.00 76.80 C +ATOM 1448 O ASP A 218 13.600 0.091 -7.108 1.00 72.34 O +ATOM 1449 CB ASP A 218 10.805 1.152 -8.102 1.00 73.20 C +ATOM 1450 CG ASP A 218 9.351 1.624 -8.107 1.00 70.03 C +ATOM 1451 OD1 ASP A 218 8.542 1.094 -7.320 1.00 66.62 O +ATOM 1452 OD2 ASP A 218 9.046 2.428 -9.017 1.00 63.63 O +ATOM 1453 N GLY A 219 12.369 -1.704 -7.691 1.00 78.76 N +ATOM 1454 CA GLY A 219 13.492 -2.472 -8.206 1.00 79.00 C +ATOM 1455 C GLY A 219 14.149 -1.798 -9.413 1.00 79.19 C +ATOM 1456 O GLY A 219 13.496 -1.128 -10.217 1.00 77.15 O +ATOM 1457 N LEU A 220 15.459 -1.968 -9.544 1.00 72.52 N +ATOM 1458 CA LEU A 220 16.197 -1.435 -10.686 1.00 75.98 C +ATOM 1459 C LEU A 220 15.762 -2.134 -11.982 1.00 75.92 C +ATOM 1460 O LEU A 220 15.462 -3.331 -11.966 1.00 74.83 O +ATOM 1461 CB LEU A 220 17.715 -1.570 -10.463 1.00 73.60 C +ATOM 1462 CG LEU A 220 18.273 -0.720 -9.305 1.00 68.69 C +ATOM 1463 CD1 LEU A 220 19.748 -1.027 -9.110 1.00 64.59 C +ATOM 1464 CD2 LEU A 220 18.126 0.783 -9.560 1.00 63.44 C +ATOM 1465 N PRO A 221 15.760 -1.415 -13.134 1.00 74.31 N +ATOM 1466 CA PRO A 221 15.528 -2.044 -14.431 1.00 76.82 C +ATOM 1467 C PRO A 221 16.494 -3.209 -14.671 1.00 75.86 C +ATOM 1468 O PRO A 221 17.676 -3.126 -14.329 1.00 72.60 O +ATOM 1469 CB PRO A 221 15.705 -0.937 -15.472 1.00 75.27 C +ATOM 1470 CG PRO A 221 15.430 0.345 -14.688 1.00 73.09 C +ATOM 1471 CD PRO A 221 15.951 0.020 -13.292 1.00 73.89 C +ATOM 1472 N GLY A 222 15.995 -4.268 -15.294 1.00 78.14 N +ATOM 1473 CA GLY A 222 16.836 -5.359 -15.757 1.00 78.40 C +ATOM 1474 C GLY A 222 17.878 -4.870 -16.776 1.00 78.39 C +ATOM 1475 O GLY A 222 17.646 -3.900 -17.496 1.00 76.79 O +ATOM 1476 N LYS A 223 19.033 -5.536 -16.809 1.00 73.19 N +ATOM 1477 CA LYS A 223 20.093 -5.219 -17.780 1.00 75.92 C +ATOM 1478 C LYS A 223 19.639 -5.624 -19.183 1.00 76.86 C +ATOM 1479 O LYS A 223 19.006 -6.662 -19.350 1.00 75.72 O +ATOM 1480 CB LYS A 223 21.408 -5.911 -17.415 1.00 71.71 C +ATOM 1481 CG LYS A 223 21.993 -5.376 -16.098 1.00 66.55 C +ATOM 1482 CD LYS A 223 23.331 -6.051 -15.779 1.00 62.71 C +ATOM 1483 CE LYS A 223 23.870 -5.517 -14.446 1.00 58.67 C +ATOM 1484 NZ LYS A 223 25.141 -6.171 -14.059 1.00 52.27 N +ATOM 1485 N ASP A 224 20.020 -4.815 -20.176 1.00 74.40 N +ATOM 1486 CA ASP A 224 19.761 -5.148 -21.569 1.00 76.68 C +ATOM 1487 C ASP A 224 20.444 -6.479 -21.941 1.00 75.41 C +ATOM 1488 O ASP A 224 21.504 -6.837 -21.417 1.00 70.61 O +ATOM 1489 CB ASP A 224 20.187 -4.002 -22.487 1.00 73.36 C +ATOM 1490 CG ASP A 224 19.378 -2.714 -22.251 1.00 69.45 C +ATOM 1491 OD1 ASP A 224 18.198 -2.805 -21.834 1.00 65.64 O +ATOM 1492 OD2 ASP A 224 19.959 -1.626 -22.457 1.00 63.07 O +ATOM 1493 N GLY A 225 19.801 -7.223 -22.824 1.00 78.61 N +ATOM 1494 CA GLY A 225 20.364 -8.447 -23.374 1.00 78.25 C +ATOM 1495 C GLY A 225 21.648 -8.166 -24.158 1.00 78.02 C +ATOM 1496 O GLY A 225 21.830 -7.091 -24.715 1.00 75.88 O +ATOM 1497 N LYS A 226 22.553 -9.134 -24.190 1.00 74.29 N +ATOM 1498 CA LYS A 226 23.792 -9.010 -24.975 1.00 76.74 C +ATOM 1499 C LYS A 226 23.478 -9.034 -26.465 1.00 77.19 C +ATOM 1500 O LYS A 226 22.643 -9.825 -26.899 1.00 76.06 O +ATOM 1501 CB LYS A 226 24.783 -10.127 -24.623 1.00 72.34 C +ATOM 1502 CG LYS A 226 25.298 -10.030 -23.180 1.00 66.18 C +ATOM 1503 CD LYS A 226 26.318 -11.141 -22.908 1.00 63.01 C +ATOM 1504 CE LYS A 226 26.811 -11.065 -21.468 1.00 58.67 C +ATOM 1505 NZ LYS A 226 27.776 -12.156 -21.161 1.00 52.66 N +ATOM 1506 N ASP A 227 24.204 -8.207 -27.224 1.00 75.13 N +ATOM 1507 CA ASP A 227 24.121 -8.238 -28.679 1.00 77.26 C +ATOM 1508 C ASP A 227 24.417 -9.637 -29.224 1.00 75.62 C +ATOM 1509 O ASP A 227 25.292 -10.358 -28.725 1.00 71.14 O +ATOM 1510 CB ASP A 227 25.086 -7.211 -29.296 1.00 74.34 C +ATOM 1511 CG ASP A 227 24.738 -5.772 -28.945 1.00 70.32 C +ATOM 1512 OD1 ASP A 227 23.552 -5.498 -28.694 1.00 65.99 O +ATOM 1513 OD2 ASP A 227 25.688 -4.947 -28.925 1.00 63.57 O +ATOM 1514 N GLY A 228 23.696 -10.007 -30.276 1.00 78.15 N +ATOM 1515 CA GLY A 228 23.967 -11.227 -31.002 1.00 78.03 C +ATOM 1516 C GLY A 228 25.365 -11.224 -31.633 1.00 78.22 C +ATOM 1517 O GLY A 228 25.866 -10.189 -32.075 1.00 75.24 O +ATOM 1518 N GLN A 229 26.003 -12.380 -31.661 1.00 73.01 N +ATOM 1519 CA GLN A 229 27.316 -12.493 -32.296 1.00 75.31 C +ATOM 1520 C GLN A 229 27.198 -12.331 -33.815 1.00 74.40 C +ATOM 1521 O GLN A 229 26.255 -12.846 -34.407 1.00 72.93 O +ATOM 1522 CB GLN A 229 27.994 -13.821 -31.940 1.00 72.27 C +ATOM 1523 CG GLN A 229 28.389 -13.880 -30.456 1.00 67.45 C +ATOM 1524 CD GLN A 229 29.210 -15.116 -30.086 1.00 62.42 C +ATOM 1525 OE1 GLN A 229 29.433 -16.029 -30.866 1.00 60.34 O +ATOM 1526 NE2 GLN A 229 29.703 -15.189 -28.875 1.00 56.52 N +ATOM 1527 N PRO A 230 28.175 -11.637 -34.470 1.00 74.80 N +ATOM 1528 CA PRO A 230 28.217 -11.563 -35.921 1.00 76.88 C +ATOM 1529 C PRO A 230 28.229 -12.957 -36.550 1.00 74.90 C +ATOM 1530 O PRO A 230 28.953 -13.846 -36.097 1.00 71.27 O +ATOM 1531 CB PRO A 230 29.483 -10.780 -36.270 1.00 75.24 C +ATOM 1532 CG PRO A 230 29.743 -9.951 -35.020 1.00 72.29 C +ATOM 1533 CD PRO A 230 29.256 -10.847 -33.885 1.00 74.30 C +ATOM 1534 N GLY A 231 27.474 -13.111 -37.622 1.00 72.71 N +ATOM 1535 CA GLY A 231 27.502 -14.339 -38.411 1.00 73.00 C +ATOM 1536 C GLY A 231 28.904 -14.619 -38.976 1.00 72.67 C +ATOM 1537 O GLY A 231 29.653 -13.706 -39.324 1.00 69.36 O +ATOM 1538 N LYS A 232 29.263 -15.895 -39.058 1.00 70.15 N +ATOM 1539 CA LYS A 232 30.558 -16.309 -39.610 1.00 74.93 C +ATOM 1540 C LYS A 232 30.604 -16.006 -41.111 1.00 73.40 C +ATOM 1541 O LYS A 232 29.608 -16.212 -41.793 1.00 72.21 O +ATOM 1542 CB LYS A 232 30.833 -17.795 -39.342 1.00 71.30 C +ATOM 1543 CG LYS A 232 31.026 -18.084 -37.846 1.00 66.11 C +ATOM 1544 CD LYS A 232 31.348 -19.569 -37.592 1.00 63.38 C +ATOM 1545 CE LYS A 232 31.499 -19.816 -36.089 1.00 58.73 C +ATOM 1546 NZ LYS A 232 31.752 -21.237 -35.781 1.00 52.95 N +ATOM 1547 N PRO A 233 31.755 -15.539 -41.634 1.00 71.16 N +ATOM 1548 CA PRO A 233 31.931 -15.398 -43.075 1.00 73.69 C +ATOM 1549 C PRO A 233 31.653 -16.721 -43.805 1.00 70.54 C +ATOM 1550 O PRO A 233 32.061 -17.784 -43.325 1.00 65.46 O +ATOM 1551 CB PRO A 233 33.375 -14.941 -43.287 1.00 72.31 C +ATOM 1552 CG PRO A 233 33.761 -14.331 -41.939 1.00 69.82 C +ATOM 1553 CD PRO A 233 32.970 -15.153 -40.931 1.00 71.79 C +ATOM 1554 N GLY A 234 30.995 -16.602 -44.947 1.00 64.81 N +ATOM 1555 CA GLY A 234 30.857 -17.752 -45.839 1.00 65.13 C +ATOM 1556 C GLY A 234 32.229 -18.288 -46.265 1.00 62.45 C +ATOM 1557 O GLY A 234 33.169 -17.515 -46.459 1.00 58.40 O +ATOM 1558 N LYS A 235 32.359 -19.608 -46.358 1.00 68.78 N +ATOM 1559 CA LYS A 235 33.579 -20.256 -46.863 1.00 73.47 C +ATOM 1560 C LYS A 235 33.555 -20.234 -48.384 1.00 67.60 C +ATOM 1561 O LYS A 235 32.490 -20.420 -48.963 1.00 63.34 O +ATOM 1562 CB LYS A 235 33.708 -21.689 -46.328 1.00 69.83 C +ATOM 1563 CG LYS A 235 33.928 -21.737 -44.808 1.00 62.72 C +ATOM 1564 CD LYS A 235 34.149 -23.182 -44.349 1.00 60.04 C +ATOM 1565 CE LYS A 235 34.397 -23.246 -42.837 1.00 56.73 C +ATOM 1566 NZ LYS A 235 34.664 -24.638 -42.397 1.00 50.73 N +ATOM 1567 N TYR A 236 34.724 -19.949 -48.974 1.00 74.16 N +ATOM 1568 CA TYR A 236 34.953 -20.049 -50.414 1.00 73.71 C +ATOM 1569 C TYR A 236 35.050 -21.511 -50.853 1.00 63.84 C +ATOM 1570 O TYR A 236 35.561 -22.316 -50.049 1.00 57.40 O +ATOM 1571 CB TYR A 236 36.240 -19.311 -50.794 1.00 67.43 C +ATOM 1572 CG TYR A 236 36.187 -17.812 -50.619 1.00 60.40 C +ATOM 1573 CD1 TYR A 236 35.720 -17.005 -51.680 1.00 56.55 C +ATOM 1574 CD2 TYR A 236 36.642 -17.220 -49.427 1.00 56.13 C +ATOM 1575 CE1 TYR A 236 35.738 -15.608 -51.546 1.00 51.29 C +ATOM 1576 CE2 TYR A 236 36.653 -15.824 -49.290 1.00 60.13 C +ATOM 1577 CZ TYR A 236 36.215 -15.013 -50.361 1.00 53.41 C +ATOM 1578 OH TYR A 236 36.264 -13.672 -50.249 1.00 54.23 O +ATOM 1579 OXT TYR A 236 34.638 -21.741 -52.005 1.00 52.85 O +TER 1580 TYR A 236 +END diff --git a/protein_pdb_88.txt b/protein_pdb_88.txt new file mode 100644 index 0000000000000000000000000000000000000000..27caceae724d3564ff3d9dbf792a0acc94132be4 --- /dev/null +++ b/protein_pdb_88.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 1.471 -9.404 10.447 1.00 72.91 N +ATOM 2 CA GLY A 1 0.536 -8.308 10.634 1.00 77.14 C +ATOM 3 C GLY A 1 -0.244 -8.021 9.377 1.00 77.43 C +ATOM 4 O GLY A 1 -0.026 -8.655 8.350 1.00 75.50 O +ATOM 5 N PRO A 2 -1.139 -7.065 9.445 1.00 72.91 N +ATOM 6 CA PRO A 2 -1.974 -6.752 8.296 1.00 78.19 C +ATOM 7 C PRO A 2 -1.209 -6.005 7.217 1.00 78.53 C +ATOM 8 O PRO A 2 -0.155 -5.432 7.460 1.00 77.70 O +ATOM 9 CB PRO A 2 -3.071 -5.869 8.894 1.00 74.76 C +ATOM 10 CG PRO A 2 -2.408 -5.207 10.047 1.00 68.42 C +ATOM 11 CD PRO A 2 -1.447 -6.221 10.598 1.00 66.81 C +HETATM 12 N HYP A 3 -1.734 -6.043 6.080 1.00 76.47 N +HETATM 13 CA HYP A 3 -1.215 -5.267 4.949 1.00 76.25 C +HETATM 14 C HYP A 3 -1.174 -3.811 5.230 1.00 77.05 C +HETATM 15 O HYP A 3 -1.998 -3.274 6.032 1.00 82.08 O +HETATM 16 CB HYP A 3 -2.248 -5.614 3.849 1.00 75.56 C +HETATM 17 CG HYP A 3 -2.750 -6.984 4.227 1.00 70.24 C +HETATM 18 CD HYP A 3 -2.860 -6.879 5.757 1.00 76.92 C +HETATM 19 OD1 HYP A 3 -1.798 -7.950 3.896 1.00 78.12 O +ATOM 20 N GLY A 4 -0.220 -3.141 4.677 1.00 83.20 N +ATOM 21 CA GLY A 4 -0.135 -1.714 4.803 1.00 81.45 C +ATOM 22 C GLY A 4 -1.244 -1.019 4.038 1.00 80.04 C +ATOM 23 O GLY A 4 -2.060 -1.654 3.371 1.00 78.37 O +ATOM 24 N PRO A 5 -1.271 0.297 4.128 1.00 81.90 N +ATOM 25 CA PRO A 5 -2.295 1.065 3.434 1.00 81.08 C +ATOM 26 C PRO A 5 -2.049 1.081 1.935 1.00 80.21 C +ATOM 27 O PRO A 5 -0.954 0.801 1.467 1.00 77.28 O +ATOM 28 CB PRO A 5 -2.148 2.457 4.034 1.00 77.77 C +ATOM 29 CG PRO A 5 -0.719 2.539 4.411 1.00 76.39 C +ATOM 30 CD PRO A 5 -0.338 1.157 4.860 1.00 77.74 C +HETATM 31 N HYP A 6 -3.088 1.429 1.203 1.00 78.29 N +HETATM 32 CA HYP A 6 -2.940 1.603 -0.235 1.00 84.95 C +HETATM 33 C HYP A 6 -1.911 2.615 -0.581 1.00 81.96 C +HETATM 34 O HYP A 6 -1.711 3.596 0.163 1.00 81.73 O +HETATM 35 CB HYP A 6 -4.369 2.045 -0.626 1.00 77.26 C +HETATM 36 CG HYP A 6 -5.262 1.438 0.432 1.00 75.45 C +HETATM 37 CD HYP A 6 -4.450 1.607 1.687 1.00 79.47 C +HETATM 38 OD1 HYP A 6 -5.455 0.063 0.173 1.00 78.73 O +ATOM 39 N GLY A 7 -1.175 2.363 -1.617 1.00 82.91 N +ATOM 40 CA GLY A 7 -0.183 3.290 -2.087 1.00 79.36 C +ATOM 41 C GLY A 7 -0.810 4.564 -2.609 1.00 79.52 C +ATOM 42 O GLY A 7 -2.031 4.703 -2.666 1.00 77.26 O +ATOM 43 N PRO A 8 0.038 5.504 -3.000 1.00 80.12 N +ATOM 44 CA PRO A 8 -0.476 6.764 -3.515 1.00 79.56 C +ATOM 45 C PRO A 8 -1.077 6.589 -4.897 1.00 79.81 C +ATOM 46 O PRO A 8 -0.792 5.624 -5.603 1.00 76.61 O +ATOM 47 CB PRO A 8 0.761 7.651 -3.561 1.00 75.96 C +ATOM 48 CG PRO A 8 1.874 6.693 -3.759 1.00 75.60 C +ATOM 49 CD PRO A 8 1.486 5.451 -2.995 1.00 76.28 C +HETATM 50 N HYP A 9 -1.885 7.555 -5.284 1.00 74.57 N +HETATM 51 CA HYP A 9 -2.448 7.549 -6.595 1.00 76.49 C +HETATM 52 C HYP A 9 -1.405 7.651 -7.656 1.00 77.95 C +HETATM 53 O HYP A 9 -0.379 8.296 -7.486 1.00 77.38 O +HETATM 54 CB HYP A 9 -3.257 8.889 -6.575 1.00 73.17 C +HETATM 55 CG HYP A 9 -3.639 9.073 -5.153 1.00 71.04 C +HETATM 56 CD HYP A 9 -2.415 8.634 -4.431 1.00 77.03 C +HETATM 57 OD1 HYP A 9 -4.707 8.222 -4.811 1.00 72.23 O +ATOM 58 N GLY A 10 -1.611 6.912 -8.745 1.00 76.83 N +ATOM 59 CA GLY A 10 -0.766 7.034 -9.896 1.00 74.87 C +ATOM 60 C GLY A 10 -1.017 8.359 -10.578 1.00 75.63 C +ATOM 61 O GLY A 10 -1.694 9.243 -10.052 1.00 73.07 O +ATOM 62 N ILE A 11 -0.472 8.504 -11.776 1.00 73.59 N +ATOM 63 CA ILE A 11 -0.686 9.704 -12.561 1.00 76.01 C +ATOM 64 C ILE A 11 -2.019 9.548 -13.283 1.00 72.75 C +ATOM 65 O ILE A 11 -2.153 8.720 -14.181 1.00 69.45 O +ATOM 66 CB ILE A 11 0.462 9.922 -13.544 1.00 74.72 C +ATOM 67 CG1 ILE A 11 1.801 10.003 -12.793 1.00 71.60 C +ATOM 68 CG2 ILE A 11 0.232 11.180 -14.369 1.00 69.80 C +ATOM 69 CD1 ILE A 11 1.866 11.100 -11.743 1.00 65.40 C +HETATM 70 N HYP A 12 -3.017 10.300 -12.961 1.00 67.38 N +HETATM 71 CA HYP A 12 -4.340 9.906 -13.041 1.00 66.91 C +HETATM 72 C HYP A 12 -4.716 8.573 -12.807 1.00 76.53 C +HETATM 73 O HYP A 12 -5.534 7.933 -13.481 1.00 76.74 O +HETATM 74 CB HYP A 12 -5.207 10.925 -13.631 1.00 67.48 C +HETATM 75 CG HYP A 12 -4.289 12.165 -13.635 1.00 65.71 C +HETATM 76 CD HYP A 12 -2.935 11.582 -13.558 1.00 68.54 C +HETATM 77 OD1 HYP A 12 -4.483 12.957 -12.500 1.00 72.19 O +ATOM 78 N GLY A 13 -4.066 7.960 -11.828 1.00 78.91 N +ATOM 79 CA GLY A 13 -4.253 6.567 -11.503 1.00 75.99 C +ATOM 80 C GLY A 13 -4.875 6.366 -10.138 1.00 76.94 C +ATOM 81 O GLY A 13 -4.939 7.286 -9.323 1.00 75.19 O +ATOM 82 N PRO A 14 -5.333 5.161 -9.885 1.00 70.83 N +ATOM 83 CA PRO A 14 -5.939 4.829 -8.609 1.00 71.57 C +ATOM 84 C PRO A 14 -4.879 4.621 -7.542 1.00 70.61 C +ATOM 85 O PRO A 14 -3.690 4.582 -7.827 1.00 68.57 O +ATOM 86 CB PRO A 14 -6.669 3.525 -8.914 1.00 68.81 C +ATOM 87 CG PRO A 14 -5.811 2.881 -9.938 1.00 66.08 C +ATOM 88 CD PRO A 14 -5.286 4.012 -10.787 1.00 64.07 C +HETATM 89 N HYP A 15 -5.375 4.475 -6.336 1.00 72.37 N +HETATM 90 CA HYP A 15 -4.445 4.161 -5.277 1.00 76.66 C +HETATM 91 C HYP A 15 -3.670 2.926 -5.567 1.00 76.98 C +HETATM 92 O HYP A 15 -4.166 2.025 -6.269 1.00 78.81 O +HETATM 93 CB HYP A 15 -5.409 3.963 -4.078 1.00 73.86 C +HETATM 94 CG HYP A 15 -6.592 4.834 -4.420 1.00 70.26 C +HETATM 95 CD HYP A 15 -6.749 4.602 -5.910 1.00 75.00 C +HETATM 96 OD1 HYP A 15 -6.290 6.179 -4.171 1.00 76.76 O +ATOM 97 N GLY A 16 -2.470 2.893 -5.109 1.00 79.13 N +ATOM 98 CA GLY A 16 -1.661 1.720 -5.280 1.00 77.45 C +ATOM 99 C GLY A 16 -2.168 0.565 -4.440 1.00 78.64 C +ATOM 100 O GLY A 16 -3.129 0.698 -3.684 1.00 77.62 O +ATOM 101 N PRO A 17 -1.519 -0.572 -4.597 1.00 79.81 N +ATOM 102 CA PRO A 17 -1.921 -1.741 -3.828 1.00 79.65 C +ATOM 103 C PRO A 17 -1.564 -1.578 -2.360 1.00 80.53 C +ATOM 104 O PRO A 17 -0.752 -0.741 -1.993 1.00 78.02 O +ATOM 105 CB PRO A 17 -1.124 -2.872 -4.473 1.00 76.62 C +ATOM 106 CG PRO A 17 0.095 -2.197 -4.985 1.00 75.75 C +ATOM 107 CD PRO A 17 -0.354 -0.840 -5.432 1.00 76.11 C +HETATM 108 N HYP A 18 -2.156 -2.371 -1.545 1.00 79.69 N +HETATM 109 CA HYP A 18 -1.799 -2.407 -0.168 1.00 85.36 C +HETATM 110 C HYP A 18 -0.341 -2.618 0.027 1.00 85.57 C +HETATM 111 O HYP A 18 0.309 -3.302 -0.789 1.00 84.26 O +HETATM 112 CB HYP A 18 -2.652 -3.537 0.359 1.00 83.36 C +HETATM 113 CG HYP A 18 -3.869 -3.561 -0.548 1.00 79.36 C +HETATM 114 CD HYP A 18 -3.263 -3.275 -1.889 1.00 82.10 C +HETATM 115 OD1 HYP A 18 -4.747 -2.507 -0.200 1.00 82.29 O +ATOM 116 N GLY A 19 0.197 -2.018 1.028 1.00 84.74 N +ATOM 117 CA GLY A 19 1.574 -2.226 1.361 1.00 84.07 C +ATOM 118 C GLY A 19 1.822 -3.639 1.847 1.00 85.14 C +ATOM 119 O GLY A 19 0.903 -4.451 1.961 1.00 84.07 O +ATOM 120 N PRO A 20 3.067 -3.928 2.121 1.00 79.10 N +ATOM 121 CA PRO A 20 3.406 -5.265 2.578 1.00 78.87 C +ATOM 122 C PRO A 20 2.869 -5.515 3.976 1.00 79.04 C +ATOM 123 O PRO A 20 2.558 -4.587 4.715 1.00 76.74 O +ATOM 124 CB PRO A 20 4.928 -5.275 2.559 1.00 75.14 C +ATOM 125 CG PRO A 20 5.300 -3.852 2.738 1.00 73.15 C +ATOM 126 CD PRO A 20 4.231 -3.056 2.054 1.00 73.21 C +HETATM 127 N HYP A 21 2.780 -6.744 4.346 1.00 82.36 N +HETATM 128 CA HYP A 21 2.361 -7.115 5.633 1.00 83.19 C +HETATM 129 C HYP A 21 3.235 -6.560 6.729 1.00 80.55 C +HETATM 130 O HYP A 21 4.438 -6.401 6.508 1.00 84.12 O +HETATM 131 CB HYP A 21 2.398 -8.620 5.619 1.00 81.26 C +HETATM 132 CG HYP A 21 2.184 -8.963 4.172 1.00 78.24 C +HETATM 133 CD HYP A 21 2.930 -7.895 3.455 1.00 82.64 C +HETATM 134 OD1 HYP A 21 0.808 -8.857 3.824 1.00 81.05 O +ATOM 135 N GLY A 22 2.656 -6.132 7.778 1.00 80.24 N +ATOM 136 CA GLY A 22 3.398 -5.665 8.914 1.00 78.85 C +ATOM 137 C GLY A 22 4.098 -6.822 9.618 1.00 79.04 C +ATOM 138 O GLY A 22 4.095 -7.953 9.142 1.00 76.60 O +ATOM 139 N PRO A 23 4.692 -6.534 10.758 1.00 76.00 N +ATOM 140 CA PRO A 23 5.338 -7.592 11.529 1.00 77.95 C +ATOM 141 C PRO A 23 4.322 -8.645 11.921 1.00 77.50 C +ATOM 142 O PRO A 23 3.144 -8.348 12.090 1.00 73.53 O +ATOM 143 CB PRO A 23 5.860 -6.869 12.767 1.00 73.02 C +ATOM 144 CG PRO A 23 5.892 -5.442 12.387 1.00 69.99 C +ATOM 145 CD PRO A 23 4.778 -5.247 11.416 1.00 71.45 C +HETATM 146 N HYP A 24 4.660 -9.809 12.143 1.00 80.17 N +HETATM 147 CA HYP A 24 3.700 -10.818 12.450 1.00 76.53 C +HETATM 148 C HYP A 24 2.437 -10.357 13.056 1.00 71.25 C +HETATM 149 O HYP A 24 2.560 -9.504 13.960 1.00 73.42 O +HETATM 150 CB HYP A 24 4.446 -11.924 13.062 1.00 75.19 C +HETATM 151 CG HYP A 24 5.864 -11.697 12.605 1.00 73.35 C +HETATM 152 CD HYP A 24 5.981 -10.178 12.454 1.00 78.71 C +HETATM 153 OD1 HYP A 24 6.082 -12.267 11.312 1.00 76.02 O +HETATM 154 OXT HYP A 24 1.365 -10.891 12.643 1.00 68.00 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_89.txt b/protein_pdb_89.txt new file mode 100644 index 0000000000000000000000000000000000000000..27caceae724d3564ff3d9dbf792a0acc94132be4 --- /dev/null +++ b/protein_pdb_89.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 1.471 -9.404 10.447 1.00 72.91 N +ATOM 2 CA GLY A 1 0.536 -8.308 10.634 1.00 77.14 C +ATOM 3 C GLY A 1 -0.244 -8.021 9.377 1.00 77.43 C +ATOM 4 O GLY A 1 -0.026 -8.655 8.350 1.00 75.50 O +ATOM 5 N PRO A 2 -1.139 -7.065 9.445 1.00 72.91 N +ATOM 6 CA PRO A 2 -1.974 -6.752 8.296 1.00 78.19 C +ATOM 7 C PRO A 2 -1.209 -6.005 7.217 1.00 78.53 C +ATOM 8 O PRO A 2 -0.155 -5.432 7.460 1.00 77.70 O +ATOM 9 CB PRO A 2 -3.071 -5.869 8.894 1.00 74.76 C +ATOM 10 CG PRO A 2 -2.408 -5.207 10.047 1.00 68.42 C +ATOM 11 CD PRO A 2 -1.447 -6.221 10.598 1.00 66.81 C +HETATM 12 N HYP A 3 -1.734 -6.043 6.080 1.00 76.47 N +HETATM 13 CA HYP A 3 -1.215 -5.267 4.949 1.00 76.25 C +HETATM 14 C HYP A 3 -1.174 -3.811 5.230 1.00 77.05 C +HETATM 15 O HYP A 3 -1.998 -3.274 6.032 1.00 82.08 O +HETATM 16 CB HYP A 3 -2.248 -5.614 3.849 1.00 75.56 C +HETATM 17 CG HYP A 3 -2.750 -6.984 4.227 1.00 70.24 C +HETATM 18 CD HYP A 3 -2.860 -6.879 5.757 1.00 76.92 C +HETATM 19 OD1 HYP A 3 -1.798 -7.950 3.896 1.00 78.12 O +ATOM 20 N GLY A 4 -0.220 -3.141 4.677 1.00 83.20 N +ATOM 21 CA GLY A 4 -0.135 -1.714 4.803 1.00 81.45 C +ATOM 22 C GLY A 4 -1.244 -1.019 4.038 1.00 80.04 C +ATOM 23 O GLY A 4 -2.060 -1.654 3.371 1.00 78.37 O +ATOM 24 N PRO A 5 -1.271 0.297 4.128 1.00 81.90 N +ATOM 25 CA PRO A 5 -2.295 1.065 3.434 1.00 81.08 C +ATOM 26 C PRO A 5 -2.049 1.081 1.935 1.00 80.21 C +ATOM 27 O PRO A 5 -0.954 0.801 1.467 1.00 77.28 O +ATOM 28 CB PRO A 5 -2.148 2.457 4.034 1.00 77.77 C +ATOM 29 CG PRO A 5 -0.719 2.539 4.411 1.00 76.39 C +ATOM 30 CD PRO A 5 -0.338 1.157 4.860 1.00 77.74 C +HETATM 31 N HYP A 6 -3.088 1.429 1.203 1.00 78.29 N +HETATM 32 CA HYP A 6 -2.940 1.603 -0.235 1.00 84.95 C +HETATM 33 C HYP A 6 -1.911 2.615 -0.581 1.00 81.96 C +HETATM 34 O HYP A 6 -1.711 3.596 0.163 1.00 81.73 O +HETATM 35 CB HYP A 6 -4.369 2.045 -0.626 1.00 77.26 C +HETATM 36 CG HYP A 6 -5.262 1.438 0.432 1.00 75.45 C +HETATM 37 CD HYP A 6 -4.450 1.607 1.687 1.00 79.47 C +HETATM 38 OD1 HYP A 6 -5.455 0.063 0.173 1.00 78.73 O +ATOM 39 N GLY A 7 -1.175 2.363 -1.617 1.00 82.91 N +ATOM 40 CA GLY A 7 -0.183 3.290 -2.087 1.00 79.36 C +ATOM 41 C GLY A 7 -0.810 4.564 -2.609 1.00 79.52 C +ATOM 42 O GLY A 7 -2.031 4.703 -2.666 1.00 77.26 O +ATOM 43 N PRO A 8 0.038 5.504 -3.000 1.00 80.12 N +ATOM 44 CA PRO A 8 -0.476 6.764 -3.515 1.00 79.56 C +ATOM 45 C PRO A 8 -1.077 6.589 -4.897 1.00 79.81 C +ATOM 46 O PRO A 8 -0.792 5.624 -5.603 1.00 76.61 O +ATOM 47 CB PRO A 8 0.761 7.651 -3.561 1.00 75.96 C +ATOM 48 CG PRO A 8 1.874 6.693 -3.759 1.00 75.60 C +ATOM 49 CD PRO A 8 1.486 5.451 -2.995 1.00 76.28 C +HETATM 50 N HYP A 9 -1.885 7.555 -5.284 1.00 74.57 N +HETATM 51 CA HYP A 9 -2.448 7.549 -6.595 1.00 76.49 C +HETATM 52 C HYP A 9 -1.405 7.651 -7.656 1.00 77.95 C +HETATM 53 O HYP A 9 -0.379 8.296 -7.486 1.00 77.38 O +HETATM 54 CB HYP A 9 -3.257 8.889 -6.575 1.00 73.17 C +HETATM 55 CG HYP A 9 -3.639 9.073 -5.153 1.00 71.04 C +HETATM 56 CD HYP A 9 -2.415 8.634 -4.431 1.00 77.03 C +HETATM 57 OD1 HYP A 9 -4.707 8.222 -4.811 1.00 72.23 O +ATOM 58 N GLY A 10 -1.611 6.912 -8.745 1.00 76.83 N +ATOM 59 CA GLY A 10 -0.766 7.034 -9.896 1.00 74.87 C +ATOM 60 C GLY A 10 -1.017 8.359 -10.578 1.00 75.63 C +ATOM 61 O GLY A 10 -1.694 9.243 -10.052 1.00 73.07 O +ATOM 62 N ILE A 11 -0.472 8.504 -11.776 1.00 73.59 N +ATOM 63 CA ILE A 11 -0.686 9.704 -12.561 1.00 76.01 C +ATOM 64 C ILE A 11 -2.019 9.548 -13.283 1.00 72.75 C +ATOM 65 O ILE A 11 -2.153 8.720 -14.181 1.00 69.45 O +ATOM 66 CB ILE A 11 0.462 9.922 -13.544 1.00 74.72 C +ATOM 67 CG1 ILE A 11 1.801 10.003 -12.793 1.00 71.60 C +ATOM 68 CG2 ILE A 11 0.232 11.180 -14.369 1.00 69.80 C +ATOM 69 CD1 ILE A 11 1.866 11.100 -11.743 1.00 65.40 C +HETATM 70 N HYP A 12 -3.017 10.300 -12.961 1.00 67.38 N +HETATM 71 CA HYP A 12 -4.340 9.906 -13.041 1.00 66.91 C +HETATM 72 C HYP A 12 -4.716 8.573 -12.807 1.00 76.53 C +HETATM 73 O HYP A 12 -5.534 7.933 -13.481 1.00 76.74 O +HETATM 74 CB HYP A 12 -5.207 10.925 -13.631 1.00 67.48 C +HETATM 75 CG HYP A 12 -4.289 12.165 -13.635 1.00 65.71 C +HETATM 76 CD HYP A 12 -2.935 11.582 -13.558 1.00 68.54 C +HETATM 77 OD1 HYP A 12 -4.483 12.957 -12.500 1.00 72.19 O +ATOM 78 N GLY A 13 -4.066 7.960 -11.828 1.00 78.91 N +ATOM 79 CA GLY A 13 -4.253 6.567 -11.503 1.00 75.99 C +ATOM 80 C GLY A 13 -4.875 6.366 -10.138 1.00 76.94 C +ATOM 81 O GLY A 13 -4.939 7.286 -9.323 1.00 75.19 O +ATOM 82 N PRO A 14 -5.333 5.161 -9.885 1.00 70.83 N +ATOM 83 CA PRO A 14 -5.939 4.829 -8.609 1.00 71.57 C +ATOM 84 C PRO A 14 -4.879 4.621 -7.542 1.00 70.61 C +ATOM 85 O PRO A 14 -3.690 4.582 -7.827 1.00 68.57 O +ATOM 86 CB PRO A 14 -6.669 3.525 -8.914 1.00 68.81 C +ATOM 87 CG PRO A 14 -5.811 2.881 -9.938 1.00 66.08 C +ATOM 88 CD PRO A 14 -5.286 4.012 -10.787 1.00 64.07 C +HETATM 89 N HYP A 15 -5.375 4.475 -6.336 1.00 72.37 N +HETATM 90 CA HYP A 15 -4.445 4.161 -5.277 1.00 76.66 C +HETATM 91 C HYP A 15 -3.670 2.926 -5.567 1.00 76.98 C +HETATM 92 O HYP A 15 -4.166 2.025 -6.269 1.00 78.81 O +HETATM 93 CB HYP A 15 -5.409 3.963 -4.078 1.00 73.86 C +HETATM 94 CG HYP A 15 -6.592 4.834 -4.420 1.00 70.26 C +HETATM 95 CD HYP A 15 -6.749 4.602 -5.910 1.00 75.00 C +HETATM 96 OD1 HYP A 15 -6.290 6.179 -4.171 1.00 76.76 O +ATOM 97 N GLY A 16 -2.470 2.893 -5.109 1.00 79.13 N +ATOM 98 CA GLY A 16 -1.661 1.720 -5.280 1.00 77.45 C +ATOM 99 C GLY A 16 -2.168 0.565 -4.440 1.00 78.64 C +ATOM 100 O GLY A 16 -3.129 0.698 -3.684 1.00 77.62 O +ATOM 101 N PRO A 17 -1.519 -0.572 -4.597 1.00 79.81 N +ATOM 102 CA PRO A 17 -1.921 -1.741 -3.828 1.00 79.65 C +ATOM 103 C PRO A 17 -1.564 -1.578 -2.360 1.00 80.53 C +ATOM 104 O PRO A 17 -0.752 -0.741 -1.993 1.00 78.02 O +ATOM 105 CB PRO A 17 -1.124 -2.872 -4.473 1.00 76.62 C +ATOM 106 CG PRO A 17 0.095 -2.197 -4.985 1.00 75.75 C +ATOM 107 CD PRO A 17 -0.354 -0.840 -5.432 1.00 76.11 C +HETATM 108 N HYP A 18 -2.156 -2.371 -1.545 1.00 79.69 N +HETATM 109 CA HYP A 18 -1.799 -2.407 -0.168 1.00 85.36 C +HETATM 110 C HYP A 18 -0.341 -2.618 0.027 1.00 85.57 C +HETATM 111 O HYP A 18 0.309 -3.302 -0.789 1.00 84.26 O +HETATM 112 CB HYP A 18 -2.652 -3.537 0.359 1.00 83.36 C +HETATM 113 CG HYP A 18 -3.869 -3.561 -0.548 1.00 79.36 C +HETATM 114 CD HYP A 18 -3.263 -3.275 -1.889 1.00 82.10 C +HETATM 115 OD1 HYP A 18 -4.747 -2.507 -0.200 1.00 82.29 O +ATOM 116 N GLY A 19 0.197 -2.018 1.028 1.00 84.74 N +ATOM 117 CA GLY A 19 1.574 -2.226 1.361 1.00 84.07 C +ATOM 118 C GLY A 19 1.822 -3.639 1.847 1.00 85.14 C +ATOM 119 O GLY A 19 0.903 -4.451 1.961 1.00 84.07 O +ATOM 120 N PRO A 20 3.067 -3.928 2.121 1.00 79.10 N +ATOM 121 CA PRO A 20 3.406 -5.265 2.578 1.00 78.87 C +ATOM 122 C PRO A 20 2.869 -5.515 3.976 1.00 79.04 C +ATOM 123 O PRO A 20 2.558 -4.587 4.715 1.00 76.74 O +ATOM 124 CB PRO A 20 4.928 -5.275 2.559 1.00 75.14 C +ATOM 125 CG PRO A 20 5.300 -3.852 2.738 1.00 73.15 C +ATOM 126 CD PRO A 20 4.231 -3.056 2.054 1.00 73.21 C +HETATM 127 N HYP A 21 2.780 -6.744 4.346 1.00 82.36 N +HETATM 128 CA HYP A 21 2.361 -7.115 5.633 1.00 83.19 C +HETATM 129 C HYP A 21 3.235 -6.560 6.729 1.00 80.55 C +HETATM 130 O HYP A 21 4.438 -6.401 6.508 1.00 84.12 O +HETATM 131 CB HYP A 21 2.398 -8.620 5.619 1.00 81.26 C +HETATM 132 CG HYP A 21 2.184 -8.963 4.172 1.00 78.24 C +HETATM 133 CD HYP A 21 2.930 -7.895 3.455 1.00 82.64 C +HETATM 134 OD1 HYP A 21 0.808 -8.857 3.824 1.00 81.05 O +ATOM 135 N GLY A 22 2.656 -6.132 7.778 1.00 80.24 N +ATOM 136 CA GLY A 22 3.398 -5.665 8.914 1.00 78.85 C +ATOM 137 C GLY A 22 4.098 -6.822 9.618 1.00 79.04 C +ATOM 138 O GLY A 22 4.095 -7.953 9.142 1.00 76.60 O +ATOM 139 N PRO A 23 4.692 -6.534 10.758 1.00 76.00 N +ATOM 140 CA PRO A 23 5.338 -7.592 11.529 1.00 77.95 C +ATOM 141 C PRO A 23 4.322 -8.645 11.921 1.00 77.50 C +ATOM 142 O PRO A 23 3.144 -8.348 12.090 1.00 73.53 O +ATOM 143 CB PRO A 23 5.860 -6.869 12.767 1.00 73.02 C +ATOM 144 CG PRO A 23 5.892 -5.442 12.387 1.00 69.99 C +ATOM 145 CD PRO A 23 4.778 -5.247 11.416 1.00 71.45 C +HETATM 146 N HYP A 24 4.660 -9.809 12.143 1.00 80.17 N +HETATM 147 CA HYP A 24 3.700 -10.818 12.450 1.00 76.53 C +HETATM 148 C HYP A 24 2.437 -10.357 13.056 1.00 71.25 C +HETATM 149 O HYP A 24 2.560 -9.504 13.960 1.00 73.42 O +HETATM 150 CB HYP A 24 4.446 -11.924 13.062 1.00 75.19 C +HETATM 151 CG HYP A 24 5.864 -11.697 12.605 1.00 73.35 C +HETATM 152 CD HYP A 24 5.981 -10.178 12.454 1.00 78.71 C +HETATM 153 OD1 HYP A 24 6.082 -12.267 11.312 1.00 76.02 O +HETATM 154 OXT HYP A 24 1.365 -10.891 12.643 1.00 68.00 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_9.txt b/protein_pdb_9.txt new file mode 100644 index 0000000000000000000000000000000000000000..1577f25c6673e7dd4b390172d77fdd20d578efbc --- /dev/null +++ b/protein_pdb_9.txt @@ -0,0 +1,197 @@ +ATOM 1 N GLY A 1 -8.482 -16.273 -9.276 1.00 74.31 N +ATOM 2 CA GLY A 1 -7.536 -16.535 -8.203 1.00 78.43 C +ATOM 3 C GLY A 1 -7.515 -15.403 -7.209 1.00 78.71 C +ATOM 4 O GLY A 1 -8.251 -14.430 -7.362 1.00 77.64 O +ATOM 5 N PRO A 2 -6.682 -15.506 -6.193 1.00 81.23 N +ATOM 6 CA PRO A 2 -6.614 -14.462 -5.186 1.00 83.75 C +ATOM 7 C PRO A 2 -5.964 -13.200 -5.717 1.00 83.30 C +ATOM 8 O PRO A 2 -5.285 -13.223 -6.739 1.00 83.62 O +ATOM 9 CB PRO A 2 -5.779 -15.091 -4.071 1.00 80.23 C +ATOM 10 CG PRO A 2 -4.923 -16.085 -4.770 1.00 73.63 C +ATOM 11 CD PRO A 2 -5.749 -16.600 -5.915 1.00 74.44 C +HETATM 12 N HYP A 3 -6.194 -12.150 -5.062 1.00 80.29 N +HETATM 13 CA HYP A 3 -5.540 -10.886 -5.373 1.00 81.75 C +HETATM 14 C HYP A 3 -4.041 -11.006 -5.302 1.00 83.99 C +HETATM 15 O HYP A 3 -3.493 -11.836 -4.519 1.00 83.90 O +HETATM 16 CB HYP A 3 -6.075 -9.950 -4.274 1.00 81.92 C +HETATM 17 CG HYP A 3 -7.409 -10.545 -3.921 1.00 75.03 C +HETATM 18 CD HYP A 3 -7.123 -12.054 -3.976 1.00 80.30 C +HETATM 19 OD1 HYP A 3 -8.363 -10.219 -4.885 1.00 80.91 O +ATOM 20 N GLY A 4 -3.387 -10.255 -6.142 1.00 86.30 N +ATOM 21 CA GLY A 4 -1.954 -10.236 -6.113 1.00 83.46 C +ATOM 22 C GLY A 4 -1.443 -9.581 -4.835 1.00 84.04 C +ATOM 23 O GLY A 4 -2.217 -9.039 -4.041 1.00 85.18 O +ATOM 24 N PRO A 5 -0.127 -9.637 -4.631 1.00 85.71 N +ATOM 25 CA PRO A 5 0.444 -9.053 -3.426 1.00 85.38 C +ATOM 26 C PRO A 5 0.406 -7.532 -3.459 1.00 84.93 C +ATOM 27 O PRO A 5 0.273 -6.927 -4.514 1.00 83.94 O +ATOM 28 CB PRO A 5 1.872 -9.579 -3.421 1.00 82.09 C +ATOM 29 CG PRO A 5 2.176 -9.858 -4.843 1.00 78.32 C +ATOM 30 CD PRO A 5 0.881 -10.262 -5.478 1.00 79.85 C +HETATM 31 N HYP A 6 0.541 -6.936 -2.303 1.00 83.86 N +HETATM 32 CA HYP A 6 0.617 -5.500 -2.212 1.00 87.96 C +HETATM 33 C HYP A 6 1.821 -4.973 -2.935 1.00 86.28 C +HETATM 34 O HYP A 6 2.880 -5.635 -3.024 1.00 86.05 O +HETATM 35 CB HYP A 6 0.741 -5.293 -0.665 1.00 86.51 C +HETATM 36 CG HYP A 6 0.063 -6.507 -0.068 1.00 82.94 C +HETATM 37 CD HYP A 6 0.484 -7.612 -1.025 1.00 84.96 C +HETATM 38 OD1 HYP A 6 -1.337 -6.340 -0.103 1.00 83.12 O +ATOM 39 N GLY A 7 1.659 -3.813 -3.517 1.00 85.84 N +ATOM 40 CA GLY A 7 2.759 -3.152 -4.154 1.00 83.69 C +ATOM 41 C GLY A 7 3.762 -2.663 -3.126 1.00 84.32 C +ATOM 42 O GLY A 7 3.563 -2.794 -1.918 1.00 83.82 O +ATOM 43 N PRO A 8 4.864 -2.095 -3.613 1.00 84.80 N +ATOM 44 CA PRO A 8 5.882 -1.601 -2.699 1.00 84.67 C +ATOM 45 C PRO A 8 5.410 -0.356 -1.958 1.00 84.41 C +ATOM 46 O PRO A 8 4.437 0.286 -2.355 1.00 83.79 O +ATOM 47 CB PRO A 8 7.063 -1.290 -3.612 1.00 81.79 C +ATOM 48 CG PRO A 8 6.454 -1.042 -4.936 1.00 79.36 C +ATOM 49 CD PRO A 8 5.225 -1.894 -5.006 1.00 80.39 C +HETATM 50 N HYP A 9 6.094 -0.003 -0.874 1.00 84.68 N +HETATM 51 CA HYP A 9 5.791 1.180 -0.141 1.00 89.07 C +HETATM 52 C HYP A 9 5.899 2.401 -1.010 1.00 84.66 C +HETATM 53 O HYP A 9 6.714 2.452 -1.930 1.00 86.05 O +HETATM 54 CB HYP A 9 6.883 1.148 0.971 1.00 84.05 C +HETATM 55 CG HYP A 9 7.159 -0.313 1.165 1.00 83.08 C +HETATM 56 CD HYP A 9 7.126 -0.823 -0.239 1.00 83.83 C +HETATM 57 OD1 HYP A 9 6.114 -0.921 1.908 1.00 83.34 O +ATOM 58 N GLY A 10 5.021 3.348 -0.796 1.00 84.68 N +ATOM 59 CA GLY A 10 5.042 4.580 -1.523 1.00 80.87 C +ATOM 60 C GLY A 10 6.244 5.427 -1.167 1.00 82.14 C +ATOM 61 O GLY A 10 7.075 5.052 -0.337 1.00 81.22 O +ATOM 62 N GLN A 11 6.325 6.575 -1.809 1.00 90.93 N +ATOM 63 CA GLN A 11 7.416 7.507 -1.578 1.00 89.76 C +ATOM 64 C GLN A 11 7.374 8.042 -0.164 1.00 88.94 C +ATOM 65 O GLN A 11 6.312 8.121 0.445 1.00 87.80 O +ATOM 66 CB GLN A 11 7.302 8.680 -2.542 1.00 86.77 C +ATOM 67 CG GLN A 11 7.210 8.257 -3.981 1.00 82.22 C +ATOM 68 CD GLN A 11 8.476 8.575 -4.725 1.00 78.78 C +ATOM 69 OE1 GLN A 11 8.804 9.743 -4.916 1.00 74.78 O +ATOM 70 NE2 GLN A 11 9.194 7.549 -5.123 1.00 73.48 N +HETATM 71 N HYP A 12 8.548 8.438 0.358 1.00 85.10 N +HETATM 72 CA HYP A 12 8.582 9.073 1.591 1.00 88.74 C +HETATM 73 C HYP A 12 7.851 10.369 1.622 1.00 84.91 C +HETATM 74 O HYP A 12 7.916 11.138 0.692 1.00 85.65 O +HETATM 75 CB HYP A 12 10.062 9.253 1.917 1.00 84.00 C +HETATM 76 CG HYP A 12 10.705 8.087 1.242 1.00 80.05 C +HETATM 77 CD HYP A 12 9.920 7.985 0.003 1.00 86.35 C +HETATM 78 OD1 HYP A 12 10.557 6.908 1.994 1.00 84.60 O +ATOM 79 N GLY A 13 7.023 10.539 2.638 1.00 88.60 N +ATOM 80 CA GLY A 13 6.306 11.768 2.843 1.00 85.80 C +ATOM 81 C GLY A 13 7.192 12.762 3.564 1.00 87.15 C +ATOM 82 O GLY A 13 8.367 12.509 3.836 1.00 85.87 O +ATOM 83 N LEU A 14 6.616 13.897 3.898 1.00 84.86 N +ATOM 84 CA LEU A 14 7.305 14.894 4.681 1.00 86.99 C +ATOM 85 C LEU A 14 7.668 14.295 6.034 1.00 86.22 C +ATOM 86 O LEU A 14 6.847 13.613 6.647 1.00 82.67 O +ATOM 87 CB LEU A 14 6.390 16.111 4.856 1.00 83.56 C +ATOM 88 CG LEU A 14 6.999 17.484 4.640 1.00 76.49 C +ATOM 89 CD1 LEU A 14 7.915 17.545 3.446 1.00 76.70 C +ATOM 90 CD2 LEU A 14 5.882 18.508 4.505 1.00 73.08 C +HETATM 91 N HYP A 15 8.891 14.544 6.483 1.00 80.49 N +HETATM 92 CA HYP A 15 9.535 13.785 7.489 1.00 80.22 C +HETATM 93 C HYP A 15 9.943 12.433 7.180 1.00 84.66 C +HETATM 94 O HYP A 15 10.272 11.584 8.034 1.00 85.03 O +HETATM 95 CB HYP A 15 9.484 14.350 8.751 1.00 79.59 C +HETATM 96 CG HYP A 15 9.346 15.816 8.335 1.00 76.42 C +HETATM 97 CD HYP A 15 8.738 15.771 6.948 1.00 80.46 C +HETATM 98 OD1 HYP A 15 10.556 16.507 8.259 1.00 82.20 O +ATOM 99 N GLY A 16 9.927 12.164 5.899 1.00 87.84 N +ATOM 100 CA GLY A 16 10.519 10.969 5.357 1.00 86.11 C +ATOM 101 C GLY A 16 9.765 9.691 5.639 1.00 86.07 C +ATOM 102 O GLY A 16 10.308 8.605 5.454 1.00 83.72 O +ATOM 103 N LEU A 17 8.518 9.790 6.062 1.00 88.17 N +ATOM 104 CA LEU A 17 7.708 8.620 6.370 1.00 88.75 C +ATOM 105 C LEU A 17 7.333 7.917 5.078 1.00 88.11 C +ATOM 106 O LEU A 17 6.782 8.534 4.179 1.00 86.09 O +ATOM 107 CB LEU A 17 6.453 9.064 7.108 1.00 84.25 C +ATOM 108 CG LEU A 17 5.885 8.131 8.167 1.00 76.56 C +ATOM 109 CD1 LEU A 17 6.881 7.857 9.255 1.00 76.76 C +ATOM 110 CD2 LEU A 17 4.606 8.746 8.732 1.00 74.46 C +HETATM 111 N HYP A 18 7.580 6.609 4.980 1.00 83.99 N +HETATM 112 CA HYP A 18 7.246 5.912 3.778 1.00 85.81 C +HETATM 113 C HYP A 18 5.746 5.880 3.562 1.00 87.95 C +HETATM 114 O HYP A 18 4.979 5.840 4.542 1.00 85.23 O +HETATM 115 CB HYP A 18 7.728 4.482 3.994 1.00 84.07 C +HETATM 116 CG HYP A 18 8.849 4.673 4.984 1.00 79.41 C +HETATM 117 CD HYP A 18 8.326 5.763 5.898 1.00 84.47 C +HETATM 118 OD1 HYP A 18 9.996 5.119 4.313 1.00 84.93 O +ATOM 119 N GLY A 19 5.361 5.933 2.341 1.00 87.14 N +ATOM 120 CA GLY A 19 3.968 5.816 2.021 1.00 84.77 C +ATOM 121 C GLY A 19 3.478 4.408 2.296 1.00 85.24 C +ATOM 122 O GLY A 19 4.267 3.497 2.561 1.00 86.04 O +ATOM 123 N PRO A 20 2.171 4.217 2.227 1.00 88.12 N +ATOM 124 CA PRO A 20 1.621 2.892 2.463 1.00 86.68 C +ATOM 125 C PRO A 20 1.945 1.952 1.315 1.00 86.92 C +ATOM 126 O PRO A 20 2.264 2.387 0.213 1.00 86.44 O +ATOM 127 CB PRO A 20 0.122 3.145 2.581 1.00 83.77 C +ATOM 128 CG PRO A 20 -0.104 4.364 1.764 1.00 82.60 C +ATOM 129 CD PRO A 20 1.140 5.201 1.922 1.00 84.19 C +HETATM 130 N HYP A 21 1.866 0.687 1.560 1.00 87.38 N +HETATM 131 CA HYP A 21 2.016 -0.297 0.524 1.00 90.08 C +HETATM 132 C HYP A 21 1.022 -0.045 -0.565 1.00 90.76 C +HETATM 133 O HYP A 21 -0.092 0.459 -0.291 1.00 88.47 O +HETATM 134 CB HYP A 21 1.792 -1.606 1.272 1.00 86.62 C +HETATM 135 CG HYP A 21 2.236 -1.300 2.694 1.00 84.97 C +HETATM 136 CD HYP A 21 1.725 0.106 2.879 1.00 88.49 C +HETATM 137 OD1 HYP A 21 3.649 -1.297 2.762 1.00 87.36 O +ATOM 138 N GLY A 22 1.384 -0.363 -1.763 1.00 89.00 N +ATOM 139 CA GLY A 22 0.486 -0.242 -2.871 1.00 87.85 C +ATOM 140 C GLY A 22 -0.693 -1.180 -2.722 1.00 88.73 C +ATOM 141 O GLY A 22 -0.706 -2.061 -1.856 1.00 89.09 O +ATOM 142 N PRO A 23 -1.699 -0.990 -3.564 1.00 87.44 N +ATOM 143 CA PRO A 23 -2.873 -1.852 -3.489 1.00 86.38 C +ATOM 144 C PRO A 23 -2.553 -3.262 -3.954 1.00 86.73 C +ATOM 145 O PRO A 23 -1.588 -3.497 -4.664 1.00 86.08 O +ATOM 146 CB PRO A 23 -3.868 -1.167 -4.413 1.00 83.02 C +ATOM 147 CG PRO A 23 -3.032 -0.422 -5.376 1.00 81.91 C +ATOM 148 CD PRO A 23 -1.804 0.004 -4.624 1.00 83.69 C +HETATM 149 N HYP A 24 -3.377 -4.189 -3.562 1.00 83.69 N +HETATM 150 CA HYP A 24 -3.259 -5.546 -4.017 1.00 87.95 C +HETATM 151 C HYP A 24 -3.380 -5.613 -5.522 1.00 84.86 C +HETATM 152 O HYP A 24 -4.073 -4.787 -6.130 1.00 88.45 O +HETATM 153 CB HYP A 24 -4.412 -6.243 -3.325 1.00 85.05 C +HETATM 154 CG HYP A 24 -4.665 -5.433 -2.093 1.00 82.96 C +HETATM 155 CD HYP A 24 -4.417 -4.025 -2.573 1.00 87.97 C +HETATM 156 OD1 HYP A 24 -3.731 -5.762 -1.083 1.00 87.79 O +ATOM 157 N GLY A 25 -2.692 -6.521 -6.114 1.00 87.40 N +ATOM 158 CA GLY A 25 -2.821 -6.733 -7.526 1.00 85.57 C +ATOM 159 C GLY A 25 -4.203 -7.263 -7.874 1.00 86.54 C +ATOM 160 O GLY A 25 -5.009 -7.576 -6.995 1.00 87.09 O +ATOM 161 N PRO A 26 -4.482 -7.377 -9.159 1.00 84.60 N +ATOM 162 CA PRO A 26 -5.780 -7.891 -9.562 1.00 83.89 C +ATOM 163 C PRO A 26 -5.912 -9.374 -9.260 1.00 84.04 C +ATOM 164 O PRO A 26 -4.926 -10.060 -9.008 1.00 84.48 O +ATOM 165 CB PRO A 26 -5.810 -7.616 -11.063 1.00 80.49 C +ATOM 166 CG PRO A 26 -4.395 -7.573 -11.466 1.00 77.90 C +ATOM 167 CD PRO A 26 -3.631 -7.038 -10.292 1.00 79.99 C +HETATM 168 N HYP A 27 -7.130 -9.877 -9.277 1.00 84.09 N +HETATM 169 CA HYP A 27 -7.366 -11.253 -9.088 1.00 85.95 C +HETATM 170 C HYP A 27 -6.659 -12.105 -10.121 1.00 85.27 C +HETATM 171 O HYP A 27 -6.477 -11.646 -11.259 1.00 87.11 O +HETATM 172 CB HYP A 27 -8.858 -11.428 -9.177 1.00 83.11 C +HETATM 173 CG HYP A 27 -9.360 -10.080 -8.730 1.00 77.87 C +HETATM 174 CD HYP A 27 -8.363 -9.129 -9.311 1.00 84.88 C +HETATM 175 OD1 HYP A 27 -9.329 -9.979 -7.319 1.00 84.58 O +ATOM 176 N GLY A 28 -6.131 -13.209 -9.710 1.00 81.30 N +ATOM 177 CA GLY A 28 -5.470 -14.105 -10.616 1.00 78.39 C +ATOM 178 C GLY A 28 -6.450 -14.683 -11.620 1.00 77.43 C +ATOM 179 O GLY A 28 -7.647 -14.405 -11.579 1.00 77.86 O +ATOM 180 N PRO A 29 -5.959 -15.521 -12.533 1.00 80.63 N +ATOM 181 CA PRO A 29 -6.840 -16.115 -13.535 1.00 82.49 C +ATOM 182 C PRO A 29 -7.806 -17.095 -12.907 1.00 81.24 C +ATOM 183 O PRO A 29 -7.582 -17.606 -11.817 1.00 77.92 O +ATOM 184 CB PRO A 29 -5.871 -16.805 -14.486 1.00 77.47 C +ATOM 185 CG PRO A 29 -4.676 -17.073 -13.671 1.00 74.23 C +ATOM 186 CD PRO A 29 -4.586 -15.967 -12.671 1.00 77.27 C +HETATM 187 N HYP A 30 -8.852 -17.432 -13.558 1.00 85.36 N +HETATM 188 CA HYP A 30 -9.807 -18.316 -12.989 1.00 77.50 C +HETATM 189 C HYP A 30 -9.229 -19.505 -12.324 1.00 79.66 C +HETATM 190 O HYP A 30 -8.421 -20.204 -12.991 1.00 81.03 O +HETATM 191 CB HYP A 30 -10.768 -18.632 -14.141 1.00 80.99 C +HETATM 192 CG HYP A 30 -10.556 -17.540 -15.148 1.00 76.68 C +HETATM 193 CD HYP A 30 -9.118 -17.130 -14.955 1.00 84.01 C +HETATM 194 OD1 HYP A 30 -11.377 -16.419 -14.821 1.00 80.10 O +HETATM 195 OXT HYP A 30 -9.545 -19.658 -11.115 1.00 78.59 O +TER 196 HYP A 30 +END diff --git a/protein_pdb_90.txt b/protein_pdb_90.txt new file mode 100644 index 0000000000000000000000000000000000000000..aba05ae6360290d516994757dd9ff48d09c75bac --- /dev/null +++ b/protein_pdb_90.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -29.597 17.716 -2.423 1.00 79.34 N +ATOM 2 CA GLY A 1 -28.408 18.187 -1.713 1.00 82.42 C +ATOM 3 C GLY A 1 -27.179 18.135 -2.591 1.00 82.83 C +ATOM 4 O GLY A 1 -27.219 17.592 -3.696 1.00 80.70 O +ATOM 5 N PRO A 2 -26.073 18.694 -2.128 1.00 82.41 N +ATOM 6 CA PRO A 2 -24.832 18.695 -2.904 1.00 86.56 C +ATOM 7 C PRO A 2 -24.233 17.304 -3.008 1.00 86.22 C +ATOM 8 O PRO A 2 -24.569 16.405 -2.241 1.00 85.35 O +ATOM 9 CB PRO A 2 -23.926 19.643 -2.121 1.00 84.03 C +ATOM 10 CG PRO A 2 -24.402 19.524 -0.726 1.00 78.38 C +ATOM 11 CD PRO A 2 -25.900 19.337 -0.821 1.00 79.20 C +HETATM 12 N HYP A 3 -23.429 17.157 -3.940 1.00 85.35 N +HETATM 13 CA HYP A 3 -22.641 15.871 -4.108 1.00 85.06 C +HETATM 14 C HYP A 3 -21.842 15.557 -2.875 1.00 82.59 C +HETATM 15 O HYP A 3 -21.373 16.461 -2.173 1.00 84.23 O +HETATM 16 CB HYP A 3 -21.771 16.186 -5.311 1.00 81.24 C +HETATM 17 CG HYP A 3 -22.540 17.247 -6.120 1.00 79.19 C +HETATM 18 CD HYP A 3 -23.149 18.112 -4.993 1.00 82.52 C +HETATM 19 OD1 HYP A 3 -23.576 16.680 -6.859 1.00 83.92 O +ATOM 20 N GLY A 4 -21.706 14.244 -2.581 1.00 88.32 N +ATOM 21 CA GLY A 4 -20.953 13.804 -1.433 1.00 87.59 C +ATOM 22 C GLY A 4 -19.467 14.088 -1.597 1.00 87.21 C +ATOM 23 O GLY A 4 -18.998 14.426 -2.685 1.00 86.88 O +ATOM 24 N PRO A 5 -18.717 13.947 -0.511 1.00 84.20 N +ATOM 25 CA PRO A 5 -17.279 14.191 -0.570 1.00 85.69 C +ATOM 26 C PRO A 5 -16.562 13.094 -1.347 1.00 85.00 C +ATOM 27 O PRO A 5 -17.101 12.012 -1.558 1.00 83.74 O +ATOM 28 CB PRO A 5 -16.860 14.205 0.900 1.00 83.40 C +ATOM 29 CG PRO A 5 -17.853 13.305 1.551 1.00 80.85 C +ATOM 30 CD PRO A 5 -19.155 13.533 0.814 1.00 82.04 C +HETATM 31 N HYP A 6 -15.374 13.406 -1.790 1.00 86.05 N +HETATM 32 CA HYP A 6 -14.506 12.335 -2.375 1.00 90.08 C +HETATM 33 C HYP A 6 -14.300 11.190 -1.482 1.00 85.08 C +HETATM 34 O HYP A 6 -14.265 11.349 -0.251 1.00 84.41 O +HETATM 35 CB HYP A 6 -13.219 13.124 -2.681 1.00 83.55 C +HETATM 36 CG HYP A 6 -13.673 14.569 -2.903 1.00 82.69 C +HETATM 37 CD HYP A 6 -14.761 14.701 -1.843 1.00 84.69 C +HETATM 38 OD1 HYP A 6 -14.220 14.757 -4.181 1.00 82.64 O +ATOM 39 N GLY A 7 -14.197 9.961 -2.036 1.00 89.74 N +ATOM 40 CA GLY A 7 -14.005 8.751 -1.280 1.00 88.27 C +ATOM 41 C GLY A 7 -12.665 8.726 -0.575 1.00 88.21 C +ATOM 42 O GLY A 7 -11.799 9.572 -0.815 1.00 87.33 O +ATOM 43 N PRO A 8 -12.471 7.739 0.298 1.00 83.61 N +ATOM 44 CA PRO A 8 -11.214 7.619 1.026 1.00 83.99 C +ATOM 45 C PRO A 8 -10.086 7.158 0.110 1.00 83.51 C +ATOM 46 O PRO A 8 -10.320 6.676 -0.994 1.00 82.27 O +ATOM 47 CB PRO A 8 -11.521 6.587 2.104 1.00 82.09 C +ATOM 48 CG PRO A 8 -12.566 5.730 1.480 1.00 82.01 C +ATOM 49 CD PRO A 8 -13.406 6.677 0.653 1.00 83.00 C +HETATM 50 N HYP A 9 -8.878 7.304 0.543 1.00 82.18 N +HETATM 51 CA HYP A 9 -7.727 6.767 -0.159 1.00 86.17 C +HETATM 52 C HYP A 9 -7.823 5.320 -0.376 1.00 83.59 C +HETATM 53 O HYP A 9 -8.339 4.578 0.453 1.00 82.89 O +HETATM 54 CB HYP A 9 -6.574 7.130 0.782 1.00 81.78 C +HETATM 55 CG HYP A 9 -7.051 8.305 1.543 1.00 80.99 C +HETATM 56 CD HYP A 9 -8.503 8.004 1.723 1.00 83.57 C +HETATM 57 OD1 HYP A 9 -6.898 9.503 0.799 1.00 82.08 O +ATOM 58 N GLY A 10 -7.279 4.833 -1.500 1.00 86.62 N +ATOM 59 CA GLY A 10 -7.287 3.430 -1.826 1.00 84.06 C +ATOM 60 C GLY A 10 -6.467 2.617 -0.833 1.00 84.10 C +ATOM 61 O GLY A 10 -5.819 3.163 0.060 1.00 83.28 O +ATOM 62 N PRO A 11 -6.470 1.283 -1.008 1.00 82.08 N +ATOM 63 CA PRO A 11 -5.700 0.443 -0.092 1.00 83.33 C +ATOM 64 C PRO A 11 -4.208 0.688 -0.211 1.00 82.47 C +ATOM 65 O PRO A 11 -3.706 1.156 -1.232 1.00 80.36 O +ATOM 66 CB PRO A 11 -6.062 -0.994 -0.503 1.00 81.38 C +ATOM 67 CG PRO A 11 -6.836 -0.890 -1.734 1.00 81.94 C +ATOM 68 CD PRO A 11 -7.202 0.527 -2.009 1.00 81.32 C +ATOM 69 N ALA A 12 -3.494 0.372 0.864 1.00 82.35 N +ATOM 70 CA ALA A 12 -2.053 0.504 0.856 1.00 82.12 C +ATOM 71 C ALA A 12 -1.453 -0.406 -0.203 1.00 83.29 C +ATOM 72 O ALA A 12 -2.017 -1.454 -0.535 1.00 78.77 O +ATOM 73 CB ALA A 12 -1.477 0.162 2.228 1.00 78.13 C +ATOM 74 N GLY A 13 -0.327 0.016 -0.728 1.00 83.46 N +ATOM 75 CA GLY A 13 0.343 -0.779 -1.738 1.00 81.46 C +ATOM 76 C GLY A 13 0.865 -2.089 -1.183 1.00 82.03 C +ATOM 77 O GLY A 13 0.836 -2.326 0.030 1.00 81.79 O +ATOM 78 N PRO A 14 1.355 -2.969 -2.059 1.00 81.13 N +ATOM 79 CA PRO A 14 1.862 -4.264 -1.624 1.00 82.87 C +ATOM 80 C PRO A 14 3.165 -4.119 -0.847 1.00 82.50 C +ATOM 81 O PRO A 14 3.829 -3.093 -0.901 1.00 81.91 O +ATOM 82 CB PRO A 14 2.082 -5.024 -2.939 1.00 81.76 C +ATOM 83 CG PRO A 14 2.345 -3.954 -3.929 1.00 79.41 C +ATOM 84 CD PRO A 14 1.469 -2.800 -3.512 1.00 77.95 C +HETATM 85 N HYP A 15 3.554 -5.182 -0.116 1.00 79.19 N +HETATM 86 CA HYP A 15 4.781 -5.206 0.572 1.00 77.95 C +HETATM 87 C HYP A 15 5.989 -5.021 -0.364 1.00 81.39 C +HETATM 88 O HYP A 15 5.894 -5.417 -1.543 1.00 73.41 O +HETATM 89 CB HYP A 15 4.783 -6.611 1.185 1.00 80.32 C +HETATM 90 CG HYP A 15 3.321 -6.926 1.353 1.00 77.47 C +HETATM 91 CD HYP A 15 2.756 -6.334 0.106 1.00 81.26 C +HETATM 92 OD1 HYP A 15 2.804 -6.290 2.481 1.00 81.46 O +ATOM 93 N GLY A 16 7.002 -4.400 0.102 1.00 85.53 N +ATOM 94 CA GLY A 16 8.179 -4.220 -0.694 1.00 84.18 C +ATOM 95 C GLY A 16 8.856 -5.557 -0.974 1.00 85.50 C +ATOM 96 O GLY A 16 8.513 -6.578 -0.375 1.00 85.37 O +ATOM 97 N PRO A 17 9.817 -5.551 -1.889 1.00 78.64 N +ATOM 98 CA PRO A 17 10.521 -6.784 -2.218 1.00 81.27 C +ATOM 99 C PRO A 17 11.426 -7.226 -1.078 1.00 81.02 C +ATOM 100 O PRO A 17 11.764 -6.445 -0.197 1.00 81.78 O +ATOM 101 CB PRO A 17 11.325 -6.418 -3.460 1.00 80.69 C +ATOM 102 CG PRO A 17 11.557 -4.953 -3.318 1.00 78.09 C +ATOM 103 CD PRO A 17 10.310 -4.412 -2.666 1.00 77.11 C +HETATM 104 N HYP A 18 11.813 -8.465 -1.074 1.00 81.55 N +HETATM 105 CA HYP A 18 12.789 -8.973 -0.148 1.00 85.89 C +HETATM 106 C HYP A 18 14.081 -8.195 -0.197 1.00 80.98 C +HETATM 107 O HYP A 18 14.489 -7.711 -1.259 1.00 84.84 O +HETATM 108 CB HYP A 18 12.940 -10.425 -0.590 1.00 81.68 C +HETATM 109 CG HYP A 18 11.618 -10.785 -1.259 1.00 80.84 C +HETATM 110 CD HYP A 18 11.261 -9.497 -1.926 1.00 82.82 C +HETATM 111 OD1 HYP A 18 10.628 -11.100 -0.314 1.00 84.54 O +ATOM 112 N GLY A 19 14.713 -8.015 0.956 1.00 85.82 N +ATOM 113 CA GLY A 19 15.966 -7.314 1.039 1.00 84.95 C +ATOM 114 C GLY A 19 17.054 -8.066 0.286 1.00 85.12 C +ATOM 115 O GLY A 19 16.864 -9.203 -0.143 1.00 84.39 O +ATOM 116 N PRO A 20 18.219 -7.434 0.148 1.00 80.22 N +ATOM 117 CA PRO A 20 19.318 -8.077 -0.564 1.00 81.16 C +ATOM 118 C PRO A 20 19.893 -9.234 0.234 1.00 80.21 C +ATOM 119 O PRO A 20 19.705 -9.328 1.446 1.00 78.84 O +ATOM 120 CB PRO A 20 20.330 -6.946 -0.733 1.00 78.60 C +ATOM 121 CG PRO A 20 20.063 -6.057 0.426 1.00 76.47 C +ATOM 122 CD PRO A 20 18.568 -6.101 0.633 1.00 76.80 C +HETATM 123 N HYP A 21 20.589 -10.118 -0.411 1.00 89.25 N +HETATM 124 CA HYP A 21 21.265 -11.217 0.225 1.00 87.46 C +HETATM 125 C HYP A 21 22.331 -10.724 1.222 1.00 85.59 C +HETATM 126 O HYP A 21 22.899 -9.659 1.022 1.00 87.44 O +HETATM 127 CB HYP A 21 21.956 -11.964 -0.932 1.00 85.68 C +HETATM 128 CG HYP A 21 21.122 -11.633 -2.152 1.00 83.32 C +HETATM 129 CD HYP A 21 20.697 -10.208 -1.863 1.00 86.72 C +HETATM 130 OD1 HYP A 21 19.963 -12.443 -2.224 1.00 84.81 O +ATOM 131 N GLY A 22 22.518 -11.430 2.279 1.00 83.82 N +ATOM 132 CA GLY A 22 23.540 -11.105 3.238 1.00 82.49 C +ATOM 133 C GLY A 22 24.921 -11.268 2.621 1.00 82.22 C +ATOM 134 O GLY A 22 25.068 -11.751 1.497 1.00 80.85 O +ATOM 135 N PRO A 23 25.963 -10.895 3.362 1.00 81.90 N +ATOM 136 CA PRO A 23 27.316 -11.020 2.834 1.00 83.76 C +ATOM 137 C PRO A 23 27.713 -12.482 2.706 1.00 82.84 C +ATOM 138 O PRO A 23 27.154 -13.357 3.362 1.00 79.36 O +ATOM 139 CB PRO A 23 28.169 -10.281 3.869 1.00 79.72 C +ATOM 140 CG PRO A 23 27.383 -10.388 5.120 1.00 76.77 C +ATOM 141 CD PRO A 23 25.937 -10.347 4.711 1.00 77.64 C +HETATM 142 N HYP A 24 28.691 -12.795 1.923 1.00 84.28 N +HETATM 143 CA HYP A 24 29.125 -14.174 1.779 1.00 82.63 C +HETATM 144 C HYP A 24 29.518 -14.741 3.061 1.00 81.55 C +HETATM 145 O HYP A 24 30.228 -14.049 3.807 1.00 80.09 O +HETATM 146 CB HYP A 24 30.297 -14.109 0.780 1.00 83.57 C +HETATM 147 CG HYP A 24 30.111 -12.826 0.032 1.00 81.20 C +HETATM 148 CD HYP A 24 29.425 -11.911 1.063 1.00 83.66 C +HETATM 149 OD1 HYP A 24 29.213 -13.039 -1.046 1.00 80.99 O +HETATM 150 OXT HYP A 24 29.114 -15.892 3.312 1.00 77.68 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_91.txt b/protein_pdb_91.txt new file mode 100644 index 0000000000000000000000000000000000000000..aba05ae6360290d516994757dd9ff48d09c75bac --- /dev/null +++ b/protein_pdb_91.txt @@ -0,0 +1,152 @@ +ATOM 1 N GLY A 1 -29.597 17.716 -2.423 1.00 79.34 N +ATOM 2 CA GLY A 1 -28.408 18.187 -1.713 1.00 82.42 C +ATOM 3 C GLY A 1 -27.179 18.135 -2.591 1.00 82.83 C +ATOM 4 O GLY A 1 -27.219 17.592 -3.696 1.00 80.70 O +ATOM 5 N PRO A 2 -26.073 18.694 -2.128 1.00 82.41 N +ATOM 6 CA PRO A 2 -24.832 18.695 -2.904 1.00 86.56 C +ATOM 7 C PRO A 2 -24.233 17.304 -3.008 1.00 86.22 C +ATOM 8 O PRO A 2 -24.569 16.405 -2.241 1.00 85.35 O +ATOM 9 CB PRO A 2 -23.926 19.643 -2.121 1.00 84.03 C +ATOM 10 CG PRO A 2 -24.402 19.524 -0.726 1.00 78.38 C +ATOM 11 CD PRO A 2 -25.900 19.337 -0.821 1.00 79.20 C +HETATM 12 N HYP A 3 -23.429 17.157 -3.940 1.00 85.35 N +HETATM 13 CA HYP A 3 -22.641 15.871 -4.108 1.00 85.06 C +HETATM 14 C HYP A 3 -21.842 15.557 -2.875 1.00 82.59 C +HETATM 15 O HYP A 3 -21.373 16.461 -2.173 1.00 84.23 O +HETATM 16 CB HYP A 3 -21.771 16.186 -5.311 1.00 81.24 C +HETATM 17 CG HYP A 3 -22.540 17.247 -6.120 1.00 79.19 C +HETATM 18 CD HYP A 3 -23.149 18.112 -4.993 1.00 82.52 C +HETATM 19 OD1 HYP A 3 -23.576 16.680 -6.859 1.00 83.92 O +ATOM 20 N GLY A 4 -21.706 14.244 -2.581 1.00 88.32 N +ATOM 21 CA GLY A 4 -20.953 13.804 -1.433 1.00 87.59 C +ATOM 22 C GLY A 4 -19.467 14.088 -1.597 1.00 87.21 C +ATOM 23 O GLY A 4 -18.998 14.426 -2.685 1.00 86.88 O +ATOM 24 N PRO A 5 -18.717 13.947 -0.511 1.00 84.20 N +ATOM 25 CA PRO A 5 -17.279 14.191 -0.570 1.00 85.69 C +ATOM 26 C PRO A 5 -16.562 13.094 -1.347 1.00 85.00 C +ATOM 27 O PRO A 5 -17.101 12.012 -1.558 1.00 83.74 O +ATOM 28 CB PRO A 5 -16.860 14.205 0.900 1.00 83.40 C +ATOM 29 CG PRO A 5 -17.853 13.305 1.551 1.00 80.85 C +ATOM 30 CD PRO A 5 -19.155 13.533 0.814 1.00 82.04 C +HETATM 31 N HYP A 6 -15.374 13.406 -1.790 1.00 86.05 N +HETATM 32 CA HYP A 6 -14.506 12.335 -2.375 1.00 90.08 C +HETATM 33 C HYP A 6 -14.300 11.190 -1.482 1.00 85.08 C +HETATM 34 O HYP A 6 -14.265 11.349 -0.251 1.00 84.41 O +HETATM 35 CB HYP A 6 -13.219 13.124 -2.681 1.00 83.55 C +HETATM 36 CG HYP A 6 -13.673 14.569 -2.903 1.00 82.69 C +HETATM 37 CD HYP A 6 -14.761 14.701 -1.843 1.00 84.69 C +HETATM 38 OD1 HYP A 6 -14.220 14.757 -4.181 1.00 82.64 O +ATOM 39 N GLY A 7 -14.197 9.961 -2.036 1.00 89.74 N +ATOM 40 CA GLY A 7 -14.005 8.751 -1.280 1.00 88.27 C +ATOM 41 C GLY A 7 -12.665 8.726 -0.575 1.00 88.21 C +ATOM 42 O GLY A 7 -11.799 9.572 -0.815 1.00 87.33 O +ATOM 43 N PRO A 8 -12.471 7.739 0.298 1.00 83.61 N +ATOM 44 CA PRO A 8 -11.214 7.619 1.026 1.00 83.99 C +ATOM 45 C PRO A 8 -10.086 7.158 0.110 1.00 83.51 C +ATOM 46 O PRO A 8 -10.320 6.676 -0.994 1.00 82.27 O +ATOM 47 CB PRO A 8 -11.521 6.587 2.104 1.00 82.09 C +ATOM 48 CG PRO A 8 -12.566 5.730 1.480 1.00 82.01 C +ATOM 49 CD PRO A 8 -13.406 6.677 0.653 1.00 83.00 C +HETATM 50 N HYP A 9 -8.878 7.304 0.543 1.00 82.18 N +HETATM 51 CA HYP A 9 -7.727 6.767 -0.159 1.00 86.17 C +HETATM 52 C HYP A 9 -7.823 5.320 -0.376 1.00 83.59 C +HETATM 53 O HYP A 9 -8.339 4.578 0.453 1.00 82.89 O +HETATM 54 CB HYP A 9 -6.574 7.130 0.782 1.00 81.78 C +HETATM 55 CG HYP A 9 -7.051 8.305 1.543 1.00 80.99 C +HETATM 56 CD HYP A 9 -8.503 8.004 1.723 1.00 83.57 C +HETATM 57 OD1 HYP A 9 -6.898 9.503 0.799 1.00 82.08 O +ATOM 58 N GLY A 10 -7.279 4.833 -1.500 1.00 86.62 N +ATOM 59 CA GLY A 10 -7.287 3.430 -1.826 1.00 84.06 C +ATOM 60 C GLY A 10 -6.467 2.617 -0.833 1.00 84.10 C +ATOM 61 O GLY A 10 -5.819 3.163 0.060 1.00 83.28 O +ATOM 62 N PRO A 11 -6.470 1.283 -1.008 1.00 82.08 N +ATOM 63 CA PRO A 11 -5.700 0.443 -0.092 1.00 83.33 C +ATOM 64 C PRO A 11 -4.208 0.688 -0.211 1.00 82.47 C +ATOM 65 O PRO A 11 -3.706 1.156 -1.232 1.00 80.36 O +ATOM 66 CB PRO A 11 -6.062 -0.994 -0.503 1.00 81.38 C +ATOM 67 CG PRO A 11 -6.836 -0.890 -1.734 1.00 81.94 C +ATOM 68 CD PRO A 11 -7.202 0.527 -2.009 1.00 81.32 C +ATOM 69 N ALA A 12 -3.494 0.372 0.864 1.00 82.35 N +ATOM 70 CA ALA A 12 -2.053 0.504 0.856 1.00 82.12 C +ATOM 71 C ALA A 12 -1.453 -0.406 -0.203 1.00 83.29 C +ATOM 72 O ALA A 12 -2.017 -1.454 -0.535 1.00 78.77 O +ATOM 73 CB ALA A 12 -1.477 0.162 2.228 1.00 78.13 C +ATOM 74 N GLY A 13 -0.327 0.016 -0.728 1.00 83.46 N +ATOM 75 CA GLY A 13 0.343 -0.779 -1.738 1.00 81.46 C +ATOM 76 C GLY A 13 0.865 -2.089 -1.183 1.00 82.03 C +ATOM 77 O GLY A 13 0.836 -2.326 0.030 1.00 81.79 O +ATOM 78 N PRO A 14 1.355 -2.969 -2.059 1.00 81.13 N +ATOM 79 CA PRO A 14 1.862 -4.264 -1.624 1.00 82.87 C +ATOM 80 C PRO A 14 3.165 -4.119 -0.847 1.00 82.50 C +ATOM 81 O PRO A 14 3.829 -3.093 -0.901 1.00 81.91 O +ATOM 82 CB PRO A 14 2.082 -5.024 -2.939 1.00 81.76 C +ATOM 83 CG PRO A 14 2.345 -3.954 -3.929 1.00 79.41 C +ATOM 84 CD PRO A 14 1.469 -2.800 -3.512 1.00 77.95 C +HETATM 85 N HYP A 15 3.554 -5.182 -0.116 1.00 79.19 N +HETATM 86 CA HYP A 15 4.781 -5.206 0.572 1.00 77.95 C +HETATM 87 C HYP A 15 5.989 -5.021 -0.364 1.00 81.39 C +HETATM 88 O HYP A 15 5.894 -5.417 -1.543 1.00 73.41 O +HETATM 89 CB HYP A 15 4.783 -6.611 1.185 1.00 80.32 C +HETATM 90 CG HYP A 15 3.321 -6.926 1.353 1.00 77.47 C +HETATM 91 CD HYP A 15 2.756 -6.334 0.106 1.00 81.26 C +HETATM 92 OD1 HYP A 15 2.804 -6.290 2.481 1.00 81.46 O +ATOM 93 N GLY A 16 7.002 -4.400 0.102 1.00 85.53 N +ATOM 94 CA GLY A 16 8.179 -4.220 -0.694 1.00 84.18 C +ATOM 95 C GLY A 16 8.856 -5.557 -0.974 1.00 85.50 C +ATOM 96 O GLY A 16 8.513 -6.578 -0.375 1.00 85.37 O +ATOM 97 N PRO A 17 9.817 -5.551 -1.889 1.00 78.64 N +ATOM 98 CA PRO A 17 10.521 -6.784 -2.218 1.00 81.27 C +ATOM 99 C PRO A 17 11.426 -7.226 -1.078 1.00 81.02 C +ATOM 100 O PRO A 17 11.764 -6.445 -0.197 1.00 81.78 O +ATOM 101 CB PRO A 17 11.325 -6.418 -3.460 1.00 80.69 C +ATOM 102 CG PRO A 17 11.557 -4.953 -3.318 1.00 78.09 C +ATOM 103 CD PRO A 17 10.310 -4.412 -2.666 1.00 77.11 C +HETATM 104 N HYP A 18 11.813 -8.465 -1.074 1.00 81.55 N +HETATM 105 CA HYP A 18 12.789 -8.973 -0.148 1.00 85.89 C +HETATM 106 C HYP A 18 14.081 -8.195 -0.197 1.00 80.98 C +HETATM 107 O HYP A 18 14.489 -7.711 -1.259 1.00 84.84 O +HETATM 108 CB HYP A 18 12.940 -10.425 -0.590 1.00 81.68 C +HETATM 109 CG HYP A 18 11.618 -10.785 -1.259 1.00 80.84 C +HETATM 110 CD HYP A 18 11.261 -9.497 -1.926 1.00 82.82 C +HETATM 111 OD1 HYP A 18 10.628 -11.100 -0.314 1.00 84.54 O +ATOM 112 N GLY A 19 14.713 -8.015 0.956 1.00 85.82 N +ATOM 113 CA GLY A 19 15.966 -7.314 1.039 1.00 84.95 C +ATOM 114 C GLY A 19 17.054 -8.066 0.286 1.00 85.12 C +ATOM 115 O GLY A 19 16.864 -9.203 -0.143 1.00 84.39 O +ATOM 116 N PRO A 20 18.219 -7.434 0.148 1.00 80.22 N +ATOM 117 CA PRO A 20 19.318 -8.077 -0.564 1.00 81.16 C +ATOM 118 C PRO A 20 19.893 -9.234 0.234 1.00 80.21 C +ATOM 119 O PRO A 20 19.705 -9.328 1.446 1.00 78.84 O +ATOM 120 CB PRO A 20 20.330 -6.946 -0.733 1.00 78.60 C +ATOM 121 CG PRO A 20 20.063 -6.057 0.426 1.00 76.47 C +ATOM 122 CD PRO A 20 18.568 -6.101 0.633 1.00 76.80 C +HETATM 123 N HYP A 21 20.589 -10.118 -0.411 1.00 89.25 N +HETATM 124 CA HYP A 21 21.265 -11.217 0.225 1.00 87.46 C +HETATM 125 C HYP A 21 22.331 -10.724 1.222 1.00 85.59 C +HETATM 126 O HYP A 21 22.899 -9.659 1.022 1.00 87.44 O +HETATM 127 CB HYP A 21 21.956 -11.964 -0.932 1.00 85.68 C +HETATM 128 CG HYP A 21 21.122 -11.633 -2.152 1.00 83.32 C +HETATM 129 CD HYP A 21 20.697 -10.208 -1.863 1.00 86.72 C +HETATM 130 OD1 HYP A 21 19.963 -12.443 -2.224 1.00 84.81 O +ATOM 131 N GLY A 22 22.518 -11.430 2.279 1.00 83.82 N +ATOM 132 CA GLY A 22 23.540 -11.105 3.238 1.00 82.49 C +ATOM 133 C GLY A 22 24.921 -11.268 2.621 1.00 82.22 C +ATOM 134 O GLY A 22 25.068 -11.751 1.497 1.00 80.85 O +ATOM 135 N PRO A 23 25.963 -10.895 3.362 1.00 81.90 N +ATOM 136 CA PRO A 23 27.316 -11.020 2.834 1.00 83.76 C +ATOM 137 C PRO A 23 27.713 -12.482 2.706 1.00 82.84 C +ATOM 138 O PRO A 23 27.154 -13.357 3.362 1.00 79.36 O +ATOM 139 CB PRO A 23 28.169 -10.281 3.869 1.00 79.72 C +ATOM 140 CG PRO A 23 27.383 -10.388 5.120 1.00 76.77 C +ATOM 141 CD PRO A 23 25.937 -10.347 4.711 1.00 77.64 C +HETATM 142 N HYP A 24 28.691 -12.795 1.923 1.00 84.28 N +HETATM 143 CA HYP A 24 29.125 -14.174 1.779 1.00 82.63 C +HETATM 144 C HYP A 24 29.518 -14.741 3.061 1.00 81.55 C +HETATM 145 O HYP A 24 30.228 -14.049 3.807 1.00 80.09 O +HETATM 146 CB HYP A 24 30.297 -14.109 0.780 1.00 83.57 C +HETATM 147 CG HYP A 24 30.111 -12.826 0.032 1.00 81.20 C +HETATM 148 CD HYP A 24 29.425 -11.911 1.063 1.00 83.66 C +HETATM 149 OD1 HYP A 24 29.213 -13.039 -1.046 1.00 80.99 O +HETATM 150 OXT HYP A 24 29.114 -15.892 3.312 1.00 77.68 O +TER 151 HYP A 24 +END diff --git a/protein_pdb_92.txt b/protein_pdb_92.txt new file mode 100644 index 0000000000000000000000000000000000000000..364c6ddd9980828a37ecd0a3e98d4074fffb61e5 --- /dev/null +++ b/protein_pdb_92.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -6.560 14.310 5.147 1.00 71.71 N +ATOM 2 CA GLY A 1 -7.588 13.276 5.166 1.00 74.44 C +ATOM 3 C GLY A 1 -7.049 11.983 5.722 1.00 73.83 C +ATOM 4 O GLY A 1 -5.892 11.909 6.130 1.00 73.21 O +ATOM 5 N PRO A 2 -7.860 10.960 5.742 1.00 73.61 N +ATOM 6 CA PRO A 2 -7.444 9.687 6.295 1.00 77.29 C +ATOM 7 C PRO A 2 -6.408 8.998 5.425 1.00 76.63 C +ATOM 8 O PRO A 2 -6.257 9.301 4.250 1.00 75.42 O +ATOM 9 CB PRO A 2 -8.741 8.876 6.348 1.00 74.93 C +ATOM 10 CG PRO A 2 -9.588 9.467 5.294 1.00 69.33 C +ATOM 11 CD PRO A 2 -9.230 10.922 5.226 1.00 68.27 C +HETATM 12 N HYP A 3 -5.714 8.120 6.032 1.00 72.77 N +HETATM 13 CA HYP A 3 -4.785 7.278 5.300 1.00 77.65 C +HETATM 14 C HYP A 3 -5.452 6.546 4.184 1.00 79.35 C +HETATM 15 O HYP A 3 -6.659 6.215 4.254 1.00 82.29 O +HETATM 16 CB HYP A 3 -4.322 6.329 6.400 1.00 73.40 C +HETATM 17 CG HYP A 3 -4.457 7.126 7.678 1.00 69.69 C +HETATM 18 CD HYP A 3 -5.755 7.876 7.448 1.00 73.36 C +HETATM 19 OD1 HYP A 3 -3.399 8.036 7.793 1.00 76.53 O +ATOM 20 N GLY A 4 -4.720 6.349 3.119 1.00 85.00 N +ATOM 21 CA GLY A 4 -5.220 5.586 2.017 1.00 82.95 C +ATOM 22 C GLY A 4 -5.421 4.128 2.390 1.00 81.54 C +ATOM 23 O GLY A 4 -5.041 3.686 3.477 1.00 81.06 O +ATOM 24 N PRO A 5 -6.012 3.374 1.488 1.00 84.50 N +ATOM 25 CA PRO A 5 -6.229 1.960 1.748 1.00 83.38 C +ATOM 26 C PRO A 5 -4.922 1.190 1.693 1.00 82.71 C +ATOM 27 O PRO A 5 -3.921 1.666 1.170 1.00 80.29 O +ATOM 28 CB PRO A 5 -7.167 1.538 0.621 1.00 80.74 C +ATOM 29 CG PRO A 5 -6.840 2.469 -0.486 1.00 78.80 C +ATOM 30 CD PRO A 5 -6.476 3.771 0.156 1.00 79.48 C +HETATM 31 N HYP A 6 -4.946 0.011 2.235 1.00 79.49 N +HETATM 32 CA HYP A 6 -3.809 -0.872 2.136 1.00 84.85 C +HETATM 33 C HYP A 6 -3.403 -1.105 0.725 1.00 82.06 C +HETATM 34 O HYP A 6 -4.247 -1.108 -0.191 1.00 83.41 O +HETATM 35 CB HYP A 6 -4.352 -2.134 2.794 1.00 79.93 C +HETATM 36 CG HYP A 6 -5.408 -1.644 3.765 1.00 78.50 C +HETATM 37 CD HYP A 6 -6.039 -0.527 2.990 1.00 78.79 C +HETATM 38 OD1 HYP A 6 -4.798 -1.136 4.928 1.00 81.02 O +ATOM 39 N GLY A 7 -2.126 -1.210 0.504 1.00 83.71 N +ATOM 40 CA GLY A 7 -1.606 -1.492 -0.803 1.00 80.46 C +ATOM 41 C GLY A 7 -1.970 -2.891 -1.268 1.00 80.02 C +ATOM 42 O GLY A 7 -2.599 -3.665 -0.550 1.00 78.79 O +ATOM 43 N PRO A 8 -1.557 -3.213 -2.477 1.00 82.92 N +ATOM 44 CA PRO A 8 -1.856 -4.535 -3.008 1.00 81.96 C +ATOM 45 C PRO A 8 -1.103 -5.626 -2.269 1.00 81.91 C +ATOM 46 O PRO A 8 -0.088 -5.384 -1.629 1.00 79.56 O +ATOM 47 CB PRO A 8 -1.424 -4.460 -4.472 1.00 79.08 C +ATOM 48 CG PRO A 8 -0.613 -3.247 -4.597 1.00 79.20 C +ATOM 49 CD PRO A 8 -0.818 -2.379 -3.408 1.00 79.29 C +HETATM 50 N HYP A 9 -1.596 -6.843 -2.400 1.00 75.87 N +HETATM 51 CA HYP A 9 -0.959 -7.950 -1.829 1.00 78.89 C +HETATM 52 C HYP A 9 0.403 -8.194 -2.387 1.00 74.85 C +HETATM 53 O HYP A 9 0.683 -7.859 -3.526 1.00 77.99 O +HETATM 54 CB HYP A 9 -1.902 -9.100 -2.293 1.00 72.62 C +HETATM 55 CG HYP A 9 -3.241 -8.460 -2.406 1.00 71.89 C +HETATM 56 CD HYP A 9 -2.898 -7.143 -2.960 1.00 75.97 C +HETATM 57 OD1 HYP A 9 -3.825 -8.299 -1.132 1.00 74.37 O +ATOM 58 N GLY A 10 1.329 -8.646 -1.549 1.00 79.13 N +ATOM 59 CA GLY A 10 2.666 -8.973 -1.967 1.00 76.47 C +ATOM 60 C GLY A 10 2.690 -10.273 -2.755 1.00 76.63 C +ATOM 61 O GLY A 10 1.762 -10.583 -3.503 1.00 74.19 O +ATOM 62 N ASN A 11 3.756 -11.053 -2.582 1.00 78.74 N +ATOM 63 CA ASN A 11 3.910 -12.334 -3.278 1.00 81.81 C +ATOM 64 C ASN A 11 3.084 -13.395 -2.570 1.00 80.15 C +ATOM 65 O ASN A 11 3.603 -14.100 -1.704 1.00 78.63 O +ATOM 66 CB ASN A 11 5.374 -12.748 -3.290 1.00 78.45 C +ATOM 67 CG ASN A 11 6.237 -11.838 -4.122 1.00 73.21 C +ATOM 68 OD1 ASN A 11 5.751 -10.933 -4.786 1.00 68.83 O +ATOM 69 ND2 ASN A 11 7.537 -12.088 -4.097 1.00 68.02 N +HETATM 70 N HYP A 12 1.908 -13.670 -2.920 1.00 70.50 N +HETATM 71 CA HYP A 12 0.955 -14.068 -2.039 1.00 74.16 C +HETATM 72 C HYP A 12 1.057 -13.654 -0.676 1.00 75.23 C +HETATM 73 O HYP A 12 0.797 -14.345 0.319 1.00 73.29 O +HETATM 74 CB HYP A 12 0.059 -15.042 -2.577 1.00 71.00 C +HETATM 75 CG HYP A 12 0.512 -15.153 -4.055 1.00 67.97 C +HETATM 76 CD HYP A 12 1.819 -14.427 -4.085 1.00 70.28 C +HETATM 77 OD1 HYP A 12 -0.377 -14.498 -4.914 1.00 73.10 O +ATOM 78 N GLY A 13 1.495 -12.382 -0.532 1.00 81.01 N +ATOM 79 CA GLY A 13 1.737 -11.761 0.748 1.00 79.19 C +ATOM 80 C GLY A 13 0.602 -10.870 1.181 1.00 79.54 C +ATOM 81 O GLY A 13 -0.427 -10.772 0.514 1.00 78.89 O +ATOM 82 N PRO A 14 0.796 -10.221 2.303 1.00 79.53 N +ATOM 83 CA PRO A 14 -0.247 -9.380 2.863 1.00 79.87 C +ATOM 84 C PRO A 14 -0.392 -8.080 2.092 1.00 79.01 C +ATOM 85 O PRO A 14 0.477 -7.684 1.326 1.00 77.04 O +ATOM 86 CB PRO A 14 0.244 -9.115 4.281 1.00 77.13 C +ATOM 87 CG PRO A 14 1.723 -9.158 4.159 1.00 75.88 C +ATOM 88 CD PRO A 14 2.011 -10.214 3.125 1.00 75.90 C +HETATM 89 N HYP A 15 -1.481 -7.457 2.342 1.00 75.07 N +HETATM 90 CA HYP A 15 -1.678 -6.136 1.801 1.00 80.36 C +HETATM 91 C HYP A 15 -0.604 -5.204 2.251 1.00 79.78 C +HETATM 92 O HYP A 15 -0.044 -5.375 3.344 1.00 82.11 O +HETATM 93 CB HYP A 15 -3.043 -5.765 2.481 1.00 75.56 C +HETATM 94 CG HYP A 15 -3.723 -7.101 2.667 1.00 74.17 C +HETATM 95 CD HYP A 15 -2.584 -7.987 3.095 1.00 78.22 C +HETATM 96 OD1 HYP A 15 -4.262 -7.542 1.462 1.00 77.36 O +ATOM 97 N GLY A 16 -0.260 -4.301 1.400 1.00 84.43 N +ATOM 98 CA GLY A 16 0.707 -3.308 1.757 1.00 82.95 C +ATOM 99 C GLY A 16 0.189 -2.393 2.846 1.00 84.04 C +ATOM 100 O GLY A 16 -0.963 -2.494 3.275 1.00 83.52 O +ATOM 101 N PRO A 17 1.058 -1.511 3.294 1.00 83.81 N +ATOM 102 CA PRO A 17 0.648 -0.579 4.332 1.00 83.95 C +ATOM 103 C PRO A 17 -0.342 0.442 3.797 1.00 84.33 C +ATOM 104 O PRO A 17 -0.493 0.611 2.590 1.00 81.65 O +ATOM 105 CB PRO A 17 1.960 0.088 4.741 1.00 81.14 C +ATOM 106 CG PRO A 17 2.801 -0.001 3.527 1.00 81.13 C +ATOM 107 CD PRO A 17 2.427 -1.281 2.847 1.00 81.93 C +HETATM 108 N HYP A 18 -1.004 1.101 4.683 1.00 81.79 N +HETATM 109 CA HYP A 18 -1.888 2.151 4.307 1.00 87.86 C +HETATM 110 C HYP A 18 -1.196 3.173 3.488 1.00 86.67 C +HETATM 111 O HYP A 18 0.007 3.455 3.689 1.00 86.23 O +HETATM 112 CB HYP A 18 -2.291 2.729 5.652 1.00 82.65 C +HETATM 113 CG HYP A 18 -2.166 1.585 6.621 1.00 79.54 C +HETATM 114 CD HYP A 18 -0.930 0.895 6.110 1.00 83.81 C +HETATM 115 OD1 HYP A 18 -3.263 0.711 6.493 1.00 82.15 O +ATOM 116 N GLY A 19 -1.898 3.677 2.539 1.00 86.44 N +ATOM 117 CA GLY A 19 -1.381 4.735 1.723 1.00 85.57 C +ATOM 118 C GLY A 19 -1.168 6.000 2.527 1.00 86.44 C +ATOM 119 O GLY A 19 -1.481 6.072 3.713 1.00 85.62 O +ATOM 120 N PRO A 20 -0.625 7.003 1.878 1.00 83.40 N +ATOM 121 CA PRO A 20 -0.393 8.261 2.569 1.00 83.57 C +ATOM 122 C PRO A 20 -1.699 8.942 2.919 1.00 83.24 C +ATOM 123 O PRO A 20 -2.746 8.647 2.355 1.00 80.68 O +ATOM 124 CB PRO A 20 0.410 9.071 1.556 1.00 80.78 C +ATOM 125 CG PRO A 20 0.019 8.507 0.243 1.00 78.94 C +ATOM 126 CD PRO A 20 -0.247 7.052 0.472 1.00 80.16 C +HETATM 127 N HYP A 21 -1.643 9.868 3.847 1.00 79.86 N +HETATM 128 CA HYP A 21 -2.769 10.614 4.190 1.00 85.09 C +HETATM 129 C HYP A 21 -3.365 11.357 3.019 1.00 81.15 C +HETATM 130 O HYP A 21 -2.601 11.786 2.157 1.00 81.81 O +HETATM 131 CB HYP A 21 -2.273 11.585 5.235 1.00 80.04 C +HETATM 132 CG HYP A 21 -1.109 10.855 5.860 1.00 77.07 C +HETATM 133 CD HYP A 21 -0.491 10.160 4.691 1.00 83.12 C +HETATM 134 OD1 HYP A 21 -1.584 9.879 6.784 1.00 81.30 O +ATOM 135 N GLY A 22 -4.638 11.326 2.928 1.00 79.14 N +ATOM 136 CA GLY A 22 -5.297 12.054 1.885 1.00 76.75 C +ATOM 137 C GLY A 22 -5.143 13.553 2.074 1.00 76.54 C +ATOM 138 O GLY A 22 -4.504 14.014 3.017 1.00 74.96 O +ATOM 139 N PRO A 23 -5.734 14.314 1.182 1.00 74.60 N +ATOM 140 CA PRO A 23 -5.678 15.759 1.324 1.00 77.25 C +ATOM 141 C PRO A 23 -6.456 16.195 2.551 1.00 75.70 C +ATOM 142 O PRO A 23 -7.340 15.492 3.021 1.00 73.36 O +ATOM 143 CB PRO A 23 -6.318 16.260 0.036 1.00 73.59 C +ATOM 144 CG PRO A 23 -7.195 15.149 -0.403 1.00 69.73 C +ATOM 145 CD PRO A 23 -6.530 13.888 0.042 1.00 70.61 C +HETATM 146 N HYP A 24 -6.200 17.293 3.088 1.00 81.07 N +HETATM 147 CA HYP A 24 -6.858 17.654 4.271 1.00 77.23 C +HETATM 148 C HYP A 24 -8.056 16.919 4.638 1.00 75.55 C +HETATM 149 O HYP A 24 -8.977 16.991 3.794 1.00 76.60 O +HETATM 150 CB HYP A 24 -6.743 19.112 4.442 1.00 77.45 C +HETATM 151 CG HYP A 24 -5.626 19.485 3.502 1.00 74.70 C +HETATM 152 CD HYP A 24 -5.661 18.402 2.418 1.00 80.69 C +HETATM 153 OD1 HYP A 24 -4.352 19.390 4.146 1.00 77.89 O +HETATM 154 OXT HYP A 24 -8.060 16.339 5.757 1.00 69.90 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_93.txt b/protein_pdb_93.txt new file mode 100644 index 0000000000000000000000000000000000000000..364c6ddd9980828a37ecd0a3e98d4074fffb61e5 --- /dev/null +++ b/protein_pdb_93.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 -6.560 14.310 5.147 1.00 71.71 N +ATOM 2 CA GLY A 1 -7.588 13.276 5.166 1.00 74.44 C +ATOM 3 C GLY A 1 -7.049 11.983 5.722 1.00 73.83 C +ATOM 4 O GLY A 1 -5.892 11.909 6.130 1.00 73.21 O +ATOM 5 N PRO A 2 -7.860 10.960 5.742 1.00 73.61 N +ATOM 6 CA PRO A 2 -7.444 9.687 6.295 1.00 77.29 C +ATOM 7 C PRO A 2 -6.408 8.998 5.425 1.00 76.63 C +ATOM 8 O PRO A 2 -6.257 9.301 4.250 1.00 75.42 O +ATOM 9 CB PRO A 2 -8.741 8.876 6.348 1.00 74.93 C +ATOM 10 CG PRO A 2 -9.588 9.467 5.294 1.00 69.33 C +ATOM 11 CD PRO A 2 -9.230 10.922 5.226 1.00 68.27 C +HETATM 12 N HYP A 3 -5.714 8.120 6.032 1.00 72.77 N +HETATM 13 CA HYP A 3 -4.785 7.278 5.300 1.00 77.65 C +HETATM 14 C HYP A 3 -5.452 6.546 4.184 1.00 79.35 C +HETATM 15 O HYP A 3 -6.659 6.215 4.254 1.00 82.29 O +HETATM 16 CB HYP A 3 -4.322 6.329 6.400 1.00 73.40 C +HETATM 17 CG HYP A 3 -4.457 7.126 7.678 1.00 69.69 C +HETATM 18 CD HYP A 3 -5.755 7.876 7.448 1.00 73.36 C +HETATM 19 OD1 HYP A 3 -3.399 8.036 7.793 1.00 76.53 O +ATOM 20 N GLY A 4 -4.720 6.349 3.119 1.00 85.00 N +ATOM 21 CA GLY A 4 -5.220 5.586 2.017 1.00 82.95 C +ATOM 22 C GLY A 4 -5.421 4.128 2.390 1.00 81.54 C +ATOM 23 O GLY A 4 -5.041 3.686 3.477 1.00 81.06 O +ATOM 24 N PRO A 5 -6.012 3.374 1.488 1.00 84.50 N +ATOM 25 CA PRO A 5 -6.229 1.960 1.748 1.00 83.38 C +ATOM 26 C PRO A 5 -4.922 1.190 1.693 1.00 82.71 C +ATOM 27 O PRO A 5 -3.921 1.666 1.170 1.00 80.29 O +ATOM 28 CB PRO A 5 -7.167 1.538 0.621 1.00 80.74 C +ATOM 29 CG PRO A 5 -6.840 2.469 -0.486 1.00 78.80 C +ATOM 30 CD PRO A 5 -6.476 3.771 0.156 1.00 79.48 C +HETATM 31 N HYP A 6 -4.946 0.011 2.235 1.00 79.49 N +HETATM 32 CA HYP A 6 -3.809 -0.872 2.136 1.00 84.85 C +HETATM 33 C HYP A 6 -3.403 -1.105 0.725 1.00 82.06 C +HETATM 34 O HYP A 6 -4.247 -1.108 -0.191 1.00 83.41 O +HETATM 35 CB HYP A 6 -4.352 -2.134 2.794 1.00 79.93 C +HETATM 36 CG HYP A 6 -5.408 -1.644 3.765 1.00 78.50 C +HETATM 37 CD HYP A 6 -6.039 -0.527 2.990 1.00 78.79 C +HETATM 38 OD1 HYP A 6 -4.798 -1.136 4.928 1.00 81.02 O +ATOM 39 N GLY A 7 -2.126 -1.210 0.504 1.00 83.71 N +ATOM 40 CA GLY A 7 -1.606 -1.492 -0.803 1.00 80.46 C +ATOM 41 C GLY A 7 -1.970 -2.891 -1.268 1.00 80.02 C +ATOM 42 O GLY A 7 -2.599 -3.665 -0.550 1.00 78.79 O +ATOM 43 N PRO A 8 -1.557 -3.213 -2.477 1.00 82.92 N +ATOM 44 CA PRO A 8 -1.856 -4.535 -3.008 1.00 81.96 C +ATOM 45 C PRO A 8 -1.103 -5.626 -2.269 1.00 81.91 C +ATOM 46 O PRO A 8 -0.088 -5.384 -1.629 1.00 79.56 O +ATOM 47 CB PRO A 8 -1.424 -4.460 -4.472 1.00 79.08 C +ATOM 48 CG PRO A 8 -0.613 -3.247 -4.597 1.00 79.20 C +ATOM 49 CD PRO A 8 -0.818 -2.379 -3.408 1.00 79.29 C +HETATM 50 N HYP A 9 -1.596 -6.843 -2.400 1.00 75.87 N +HETATM 51 CA HYP A 9 -0.959 -7.950 -1.829 1.00 78.89 C +HETATM 52 C HYP A 9 0.403 -8.194 -2.387 1.00 74.85 C +HETATM 53 O HYP A 9 0.683 -7.859 -3.526 1.00 77.99 O +HETATM 54 CB HYP A 9 -1.902 -9.100 -2.293 1.00 72.62 C +HETATM 55 CG HYP A 9 -3.241 -8.460 -2.406 1.00 71.89 C +HETATM 56 CD HYP A 9 -2.898 -7.143 -2.960 1.00 75.97 C +HETATM 57 OD1 HYP A 9 -3.825 -8.299 -1.132 1.00 74.37 O +ATOM 58 N GLY A 10 1.329 -8.646 -1.549 1.00 79.13 N +ATOM 59 CA GLY A 10 2.666 -8.973 -1.967 1.00 76.47 C +ATOM 60 C GLY A 10 2.690 -10.273 -2.755 1.00 76.63 C +ATOM 61 O GLY A 10 1.762 -10.583 -3.503 1.00 74.19 O +ATOM 62 N ASN A 11 3.756 -11.053 -2.582 1.00 78.74 N +ATOM 63 CA ASN A 11 3.910 -12.334 -3.278 1.00 81.81 C +ATOM 64 C ASN A 11 3.084 -13.395 -2.570 1.00 80.15 C +ATOM 65 O ASN A 11 3.603 -14.100 -1.704 1.00 78.63 O +ATOM 66 CB ASN A 11 5.374 -12.748 -3.290 1.00 78.45 C +ATOM 67 CG ASN A 11 6.237 -11.838 -4.122 1.00 73.21 C +ATOM 68 OD1 ASN A 11 5.751 -10.933 -4.786 1.00 68.83 O +ATOM 69 ND2 ASN A 11 7.537 -12.088 -4.097 1.00 68.02 N +HETATM 70 N HYP A 12 1.908 -13.670 -2.920 1.00 70.50 N +HETATM 71 CA HYP A 12 0.955 -14.068 -2.039 1.00 74.16 C +HETATM 72 C HYP A 12 1.057 -13.654 -0.676 1.00 75.23 C +HETATM 73 O HYP A 12 0.797 -14.345 0.319 1.00 73.29 O +HETATM 74 CB HYP A 12 0.059 -15.042 -2.577 1.00 71.00 C +HETATM 75 CG HYP A 12 0.512 -15.153 -4.055 1.00 67.97 C +HETATM 76 CD HYP A 12 1.819 -14.427 -4.085 1.00 70.28 C +HETATM 77 OD1 HYP A 12 -0.377 -14.498 -4.914 1.00 73.10 O +ATOM 78 N GLY A 13 1.495 -12.382 -0.532 1.00 81.01 N +ATOM 79 CA GLY A 13 1.737 -11.761 0.748 1.00 79.19 C +ATOM 80 C GLY A 13 0.602 -10.870 1.181 1.00 79.54 C +ATOM 81 O GLY A 13 -0.427 -10.772 0.514 1.00 78.89 O +ATOM 82 N PRO A 14 0.796 -10.221 2.303 1.00 79.53 N +ATOM 83 CA PRO A 14 -0.247 -9.380 2.863 1.00 79.87 C +ATOM 84 C PRO A 14 -0.392 -8.080 2.092 1.00 79.01 C +ATOM 85 O PRO A 14 0.477 -7.684 1.326 1.00 77.04 O +ATOM 86 CB PRO A 14 0.244 -9.115 4.281 1.00 77.13 C +ATOM 87 CG PRO A 14 1.723 -9.158 4.159 1.00 75.88 C +ATOM 88 CD PRO A 14 2.011 -10.214 3.125 1.00 75.90 C +HETATM 89 N HYP A 15 -1.481 -7.457 2.342 1.00 75.07 N +HETATM 90 CA HYP A 15 -1.678 -6.136 1.801 1.00 80.36 C +HETATM 91 C HYP A 15 -0.604 -5.204 2.251 1.00 79.78 C +HETATM 92 O HYP A 15 -0.044 -5.375 3.344 1.00 82.11 O +HETATM 93 CB HYP A 15 -3.043 -5.765 2.481 1.00 75.56 C +HETATM 94 CG HYP A 15 -3.723 -7.101 2.667 1.00 74.17 C +HETATM 95 CD HYP A 15 -2.584 -7.987 3.095 1.00 78.22 C +HETATM 96 OD1 HYP A 15 -4.262 -7.542 1.462 1.00 77.36 O +ATOM 97 N GLY A 16 -0.260 -4.301 1.400 1.00 84.43 N +ATOM 98 CA GLY A 16 0.707 -3.308 1.757 1.00 82.95 C +ATOM 99 C GLY A 16 0.189 -2.393 2.846 1.00 84.04 C +ATOM 100 O GLY A 16 -0.963 -2.494 3.275 1.00 83.52 O +ATOM 101 N PRO A 17 1.058 -1.511 3.294 1.00 83.81 N +ATOM 102 CA PRO A 17 0.648 -0.579 4.332 1.00 83.95 C +ATOM 103 C PRO A 17 -0.342 0.442 3.797 1.00 84.33 C +ATOM 104 O PRO A 17 -0.493 0.611 2.590 1.00 81.65 O +ATOM 105 CB PRO A 17 1.960 0.088 4.741 1.00 81.14 C +ATOM 106 CG PRO A 17 2.801 -0.001 3.527 1.00 81.13 C +ATOM 107 CD PRO A 17 2.427 -1.281 2.847 1.00 81.93 C +HETATM 108 N HYP A 18 -1.004 1.101 4.683 1.00 81.79 N +HETATM 109 CA HYP A 18 -1.888 2.151 4.307 1.00 87.86 C +HETATM 110 C HYP A 18 -1.196 3.173 3.488 1.00 86.67 C +HETATM 111 O HYP A 18 0.007 3.455 3.689 1.00 86.23 O +HETATM 112 CB HYP A 18 -2.291 2.729 5.652 1.00 82.65 C +HETATM 113 CG HYP A 18 -2.166 1.585 6.621 1.00 79.54 C +HETATM 114 CD HYP A 18 -0.930 0.895 6.110 1.00 83.81 C +HETATM 115 OD1 HYP A 18 -3.263 0.711 6.493 1.00 82.15 O +ATOM 116 N GLY A 19 -1.898 3.677 2.539 1.00 86.44 N +ATOM 117 CA GLY A 19 -1.381 4.735 1.723 1.00 85.57 C +ATOM 118 C GLY A 19 -1.168 6.000 2.527 1.00 86.44 C +ATOM 119 O GLY A 19 -1.481 6.072 3.713 1.00 85.62 O +ATOM 120 N PRO A 20 -0.625 7.003 1.878 1.00 83.40 N +ATOM 121 CA PRO A 20 -0.393 8.261 2.569 1.00 83.57 C +ATOM 122 C PRO A 20 -1.699 8.942 2.919 1.00 83.24 C +ATOM 123 O PRO A 20 -2.746 8.647 2.355 1.00 80.68 O +ATOM 124 CB PRO A 20 0.410 9.071 1.556 1.00 80.78 C +ATOM 125 CG PRO A 20 0.019 8.507 0.243 1.00 78.94 C +ATOM 126 CD PRO A 20 -0.247 7.052 0.472 1.00 80.16 C +HETATM 127 N HYP A 21 -1.643 9.868 3.847 1.00 79.86 N +HETATM 128 CA HYP A 21 -2.769 10.614 4.190 1.00 85.09 C +HETATM 129 C HYP A 21 -3.365 11.357 3.019 1.00 81.15 C +HETATM 130 O HYP A 21 -2.601 11.786 2.157 1.00 81.81 O +HETATM 131 CB HYP A 21 -2.273 11.585 5.235 1.00 80.04 C +HETATM 132 CG HYP A 21 -1.109 10.855 5.860 1.00 77.07 C +HETATM 133 CD HYP A 21 -0.491 10.160 4.691 1.00 83.12 C +HETATM 134 OD1 HYP A 21 -1.584 9.879 6.784 1.00 81.30 O +ATOM 135 N GLY A 22 -4.638 11.326 2.928 1.00 79.14 N +ATOM 136 CA GLY A 22 -5.297 12.054 1.885 1.00 76.75 C +ATOM 137 C GLY A 22 -5.143 13.553 2.074 1.00 76.54 C +ATOM 138 O GLY A 22 -4.504 14.014 3.017 1.00 74.96 O +ATOM 139 N PRO A 23 -5.734 14.314 1.182 1.00 74.60 N +ATOM 140 CA PRO A 23 -5.678 15.759 1.324 1.00 77.25 C +ATOM 141 C PRO A 23 -6.456 16.195 2.551 1.00 75.70 C +ATOM 142 O PRO A 23 -7.340 15.492 3.021 1.00 73.36 O +ATOM 143 CB PRO A 23 -6.318 16.260 0.036 1.00 73.59 C +ATOM 144 CG PRO A 23 -7.195 15.149 -0.403 1.00 69.73 C +ATOM 145 CD PRO A 23 -6.530 13.888 0.042 1.00 70.61 C +HETATM 146 N HYP A 24 -6.200 17.293 3.088 1.00 81.07 N +HETATM 147 CA HYP A 24 -6.858 17.654 4.271 1.00 77.23 C +HETATM 148 C HYP A 24 -8.056 16.919 4.638 1.00 75.55 C +HETATM 149 O HYP A 24 -8.977 16.991 3.794 1.00 76.60 O +HETATM 150 CB HYP A 24 -6.743 19.112 4.442 1.00 77.45 C +HETATM 151 CG HYP A 24 -5.626 19.485 3.502 1.00 74.70 C +HETATM 152 CD HYP A 24 -5.661 18.402 2.418 1.00 80.69 C +HETATM 153 OD1 HYP A 24 -4.352 19.390 4.146 1.00 77.89 O +HETATM 154 OXT HYP A 24 -8.060 16.339 5.757 1.00 69.90 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_94.txt b/protein_pdb_94.txt new file mode 100644 index 0000000000000000000000000000000000000000..fd7b0ee5a9d30c3724ba0ac16ffba2eb8628c511 --- /dev/null +++ b/protein_pdb_94.txt @@ -0,0 +1,155 @@ +ATOM 1 N GLY A 1 19.184 -27.812 -11.113 1.00 86.24 N +ATOM 2 CA GLY A 1 19.635 -26.635 -10.373 1.00 89.10 C +ATOM 3 C GLY A 1 18.580 -26.146 -9.407 1.00 89.90 C +ATOM 4 O GLY A 1 17.435 -26.600 -9.450 1.00 86.04 O +ATOM 5 N PRO A 2 18.913 -25.211 -8.534 1.00 84.51 N +ATOM 6 CA PRO A 2 17.945 -24.693 -7.571 1.00 88.17 C +ATOM 7 C PRO A 2 16.887 -23.833 -8.238 1.00 88.51 C +ATOM 8 O PRO A 2 17.113 -23.263 -9.302 1.00 85.12 O +ATOM 9 CB PRO A 2 18.803 -23.866 -6.608 1.00 84.35 C +ATOM 10 CG PRO A 2 19.958 -23.436 -7.441 1.00 81.51 C +ATOM 11 CD PRO A 2 20.223 -24.583 -8.387 1.00 82.46 C +HETATM 12 N HYP A 3 15.807 -23.772 -7.666 1.00 93.47 N +HETATM 13 CA HYP A 3 14.685 -22.885 -8.089 1.00 89.05 C +HETATM 14 C HYP A 3 15.112 -21.447 -8.118 1.00 93.57 C +HETATM 15 O HYP A 3 15.975 -21.001 -7.346 1.00 91.87 O +HETATM 16 CB HYP A 3 13.669 -23.141 -7.026 1.00 89.70 C +HETATM 17 CG HYP A 3 13.990 -24.473 -6.423 1.00 88.10 C +HETATM 18 CD HYP A 3 15.501 -24.508 -6.474 1.00 91.30 C +HETATM 19 OD1 HYP A 3 13.475 -25.519 -7.196 1.00 90.77 O +ATOM 20 N GLY A 4 14.497 -20.659 -9.008 1.00 93.64 N +ATOM 21 CA GLY A 4 14.752 -19.241 -9.078 1.00 92.85 C +ATOM 22 C GLY A 4 14.143 -18.517 -7.887 1.00 93.02 C +ATOM 23 O GLY A 4 13.359 -19.089 -7.127 1.00 91.94 O +ATOM 24 N PRO A 5 14.487 -17.246 -7.711 1.00 93.11 N +ATOM 25 CA PRO A 5 13.961 -16.476 -6.584 1.00 93.17 C +ATOM 26 C PRO A 5 12.491 -16.132 -6.766 1.00 93.20 C +ATOM 27 O PRO A 5 11.992 -16.063 -7.889 1.00 91.12 O +ATOM 28 CB PRO A 5 14.828 -15.224 -6.569 1.00 90.91 C +ATOM 29 CG PRO A 5 15.208 -15.053 -8.000 1.00 89.51 C +ATOM 30 CD PRO A 5 15.392 -16.453 -8.533 1.00 91.68 C +HETATM 31 N HYP A 6 11.818 -15.930 -5.687 1.00 93.77 N +HETATM 32 CA HYP A 6 10.430 -15.410 -5.719 1.00 91.95 C +HETATM 33 C HYP A 6 10.338 -14.073 -6.383 1.00 92.59 C +HETATM 34 O HYP A 6 11.311 -13.286 -6.373 1.00 91.13 O +HETATM 35 CB HYP A 6 10.096 -15.271 -4.224 1.00 90.89 C +HETATM 36 CG HYP A 6 10.992 -16.235 -3.512 1.00 87.61 C +HETATM 37 CD HYP A 6 12.252 -16.172 -4.349 1.00 91.58 C +HETATM 38 OD1 HYP A 6 10.450 -17.534 -3.546 1.00 88.25 O +ATOM 39 N GLY A 7 9.193 -13.736 -6.976 1.00 94.51 N +ATOM 40 CA GLY A 7 8.976 -12.446 -7.583 1.00 93.66 C +ATOM 41 C GLY A 7 8.885 -11.355 -6.530 1.00 94.10 C +ATOM 42 O GLY A 7 8.805 -11.625 -5.331 1.00 93.44 O +ATOM 43 N PRO A 8 8.892 -10.095 -6.969 1.00 92.20 N +ATOM 44 CA PRO A 8 8.808 -8.979 -6.027 1.00 92.16 C +ATOM 45 C PRO A 8 7.419 -8.870 -5.410 1.00 92.31 C +ATOM 46 O PRO A 8 6.434 -9.320 -5.983 1.00 90.58 O +ATOM 47 CB PRO A 8 9.129 -7.760 -6.885 1.00 90.26 C +ATOM 48 CG PRO A 8 8.673 -8.168 -8.245 1.00 89.71 C +ATOM 49 CD PRO A 8 8.987 -9.646 -8.354 1.00 91.23 C +HETATM 50 N HYP A 9 7.323 -8.260 -4.276 1.00 93.98 N +HETATM 51 CA HYP A 9 6.069 -7.957 -3.613 1.00 92.09 C +HETATM 52 C HYP A 9 5.235 -7.037 -4.428 1.00 94.09 C +HETATM 53 O HYP A 9 5.759 -6.169 -5.168 1.00 91.76 O +HETATM 54 CB HYP A 9 6.520 -7.205 -2.315 1.00 92.03 C +HETATM 55 CG HYP A 9 7.896 -7.721 -2.059 1.00 88.79 C +HETATM 56 CD HYP A 9 8.439 -7.904 -3.453 1.00 92.80 C +HETATM 57 OD1 HYP A 9 7.842 -8.982 -1.416 1.00 86.98 O +ATOM 58 N GLY A 10 3.901 -7.158 -4.370 1.00 94.60 N +ATOM 59 CA GLY A 10 2.992 -6.282 -5.076 1.00 93.40 C +ATOM 60 C GLY A 10 3.043 -4.862 -4.530 1.00 93.56 C +ATOM 61 O GLY A 10 3.615 -4.592 -3.473 1.00 92.63 O +ATOM 62 N ASP A 11 2.422 -3.942 -5.278 1.00 93.96 N +ATOM 63 CA ASP A 11 2.378 -2.544 -4.862 1.00 93.73 C +ATOM 64 C ASP A 11 1.502 -2.376 -3.629 1.00 93.97 C +ATOM 65 O ASP A 11 0.554 -3.132 -3.418 1.00 92.16 O +ATOM 66 CB ASP A 11 1.812 -1.671 -5.982 1.00 91.34 C +ATOM 67 CG ASP A 11 2.716 -1.579 -7.182 1.00 87.10 C +ATOM 68 OD1 ASP A 11 3.943 -1.700 -7.027 1.00 84.60 O +ATOM 69 OD2 ASP A 11 2.185 -1.361 -8.295 1.00 82.87 O +ATOM 70 N PRO A 12 1.774 -1.350 -2.797 1.00 89.04 N +ATOM 71 CA PRO A 12 0.882 -1.061 -1.681 1.00 88.40 C +ATOM 72 C PRO A 12 -0.494 -0.658 -2.196 1.00 88.54 C +ATOM 73 O PRO A 12 -0.638 -0.183 -3.322 1.00 85.34 O +ATOM 74 CB PRO A 12 1.559 0.119 -0.956 1.00 84.92 C +ATOM 75 CG PRO A 12 2.983 0.070 -1.383 1.00 84.16 C +ATOM 76 CD PRO A 12 2.956 -0.450 -2.792 1.00 86.44 C +ATOM 77 N GLY A 13 -1.491 -0.878 -1.359 1.00 92.76 N +ATOM 78 CA GLY A 13 -2.838 -0.464 -1.718 1.00 92.07 C +ATOM 79 C GLY A 13 -2.975 1.047 -1.716 1.00 93.08 C +ATOM 80 O GLY A 13 -2.064 1.769 -1.301 1.00 93.01 O +ATOM 81 N PRO A 14 -4.128 1.561 -2.168 1.00 90.83 N +ATOM 82 CA PRO A 14 -4.339 3.005 -2.206 1.00 91.37 C +ATOM 83 C PRO A 14 -4.473 3.592 -0.806 1.00 91.32 C +ATOM 84 O PRO A 14 -4.819 2.893 0.139 1.00 89.43 O +ATOM 85 CB PRO A 14 -5.640 3.155 -3.000 1.00 89.59 C +ATOM 86 CG PRO A 14 -6.355 1.872 -2.759 1.00 88.55 C +ATOM 87 CD PRO A 14 -5.278 0.822 -2.692 1.00 89.94 C +HETATM 88 N HYP A 15 -4.238 4.889 -0.677 1.00 90.68 N +HETATM 89 CA HYP A 15 -4.417 5.595 0.564 1.00 90.75 C +HETATM 90 C HYP A 15 -5.859 5.557 1.066 1.00 91.05 C +HETATM 91 O HYP A 15 -6.788 5.426 0.262 1.00 87.77 O +HETATM 92 CB HYP A 15 -4.070 7.037 0.162 1.00 89.78 C +HETATM 93 CG HYP A 15 -3.126 6.882 -0.999 1.00 86.44 C +HETATM 94 CD HYP A 15 -3.697 5.712 -1.703 1.00 90.27 C +HETATM 95 OD1 HYP A 15 -1.831 6.573 -0.574 1.00 88.74 O +ATOM 96 N GLY A 16 -6.038 5.571 2.338 1.00 94.74 N +ATOM 97 CA GLY A 16 -7.365 5.600 2.900 1.00 93.99 C +ATOM 98 C GLY A 16 -8.052 6.921 2.618 1.00 94.33 C +ATOM 99 O GLY A 16 -7.437 7.868 2.121 1.00 94.13 O +ATOM 100 N PRO A 17 -9.354 7.005 2.935 1.00 91.12 N +ATOM 101 CA PRO A 17 -10.104 8.233 2.677 1.00 91.36 C +ATOM 102 C PRO A 17 -9.704 9.354 3.617 1.00 91.22 C +ATOM 103 O PRO A 17 -9.209 9.120 4.712 1.00 88.66 O +ATOM 104 CB PRO A 17 -11.558 7.804 2.902 1.00 89.18 C +ATOM 105 CG PRO A 17 -11.448 6.710 3.898 1.00 88.06 C +ATOM 106 CD PRO A 17 -10.186 5.966 3.538 1.00 89.79 C +HETATM 107 N HYP A 18 -9.936 10.585 3.212 1.00 92.45 N +HETATM 108 CA HYP A 18 -9.734 11.748 4.050 1.00 90.47 C +HETATM 109 C HYP A 18 -10.655 11.741 5.270 1.00 92.65 C +HETATM 110 O HYP A 18 -11.730 11.137 5.251 1.00 91.88 O +HETATM 111 CB HYP A 18 -10.169 12.892 3.127 1.00 91.72 C +HETATM 112 CG HYP A 18 -9.959 12.406 1.743 1.00 90.13 C +HETATM 113 CD HYP A 18 -10.297 10.944 1.871 1.00 91.24 C +HETATM 114 OD1 HYP A 18 -8.614 12.531 1.342 1.00 89.07 O +ATOM 115 N GLY A 19 -10.215 12.346 6.339 1.00 90.32 N +ATOM 116 CA GLY A 19 -11.027 12.456 7.519 1.00 88.86 C +ATOM 117 C GLY A 19 -12.216 13.370 7.274 1.00 90.02 C +ATOM 118 O GLY A 19 -12.310 14.033 6.238 1.00 89.98 O +ATOM 119 N PRO A 20 -13.139 13.423 8.232 1.00 89.21 N +ATOM 120 CA PRO A 20 -14.330 14.258 8.068 1.00 89.48 C +ATOM 121 C PRO A 20 -13.998 15.740 8.136 1.00 89.11 C +ATOM 122 O PRO A 20 -13.013 16.140 8.747 1.00 86.47 O +ATOM 123 CB PRO A 20 -15.218 13.824 9.232 1.00 86.72 C +ATOM 124 CG PRO A 20 -14.251 13.358 10.256 1.00 85.43 C +ATOM 125 CD PRO A 20 -13.140 12.700 9.494 1.00 88.08 C +HETATM 126 N HYP A 21 -14.831 16.585 7.562 1.00 93.76 N +HETATM 127 CA HYP A 21 -14.677 18.010 7.607 1.00 92.19 C +HETATM 128 C HYP A 21 -14.864 18.557 9.014 1.00 94.29 C +HETATM 129 O HYP A 21 -15.539 17.944 9.849 1.00 92.37 O +HETATM 130 CB HYP A 21 -15.917 18.499 6.807 1.00 92.17 C +HETATM 131 CG HYP A 21 -16.235 17.407 5.861 1.00 90.65 C +HETATM 132 CD HYP A 21 -15.901 16.177 6.678 1.00 92.29 C +HETATM 133 OD1 HYP A 21 -15.363 17.476 4.744 1.00 87.42 O +ATOM 134 N GLY A 22 -14.216 19.645 9.326 1.00 86.54 N +ATOM 135 CA GLY A 22 -14.388 20.295 10.594 1.00 84.88 C +ATOM 136 C GLY A 22 -15.784 20.890 10.713 1.00 85.50 C +ATOM 137 O GLY A 22 -16.546 20.913 9.737 1.00 83.61 O +ATOM 138 N PRO A 23 -16.141 21.423 11.880 1.00 85.93 N +ATOM 139 CA PRO A 23 -17.473 21.983 12.075 1.00 86.48 C +ATOM 140 C PRO A 23 -17.652 23.274 11.301 1.00 85.94 C +ATOM 141 O PRO A 23 -16.687 23.983 11.019 1.00 80.12 O +ATOM 142 CB PRO A 23 -17.541 22.214 13.583 1.00 81.21 C +ATOM 143 CG PRO A 23 -16.124 22.424 13.971 1.00 77.90 C +ATOM 144 CD PRO A 23 -15.324 21.504 13.083 1.00 80.51 C +HETATM 145 N HYP A 24 -18.925 23.664 11.022 1.00 89.09 N +HETATM 146 CA HYP A 24 -19.107 24.924 10.282 1.00 85.71 C +HETATM 147 C HYP A 24 -18.872 26.077 11.286 1.00 88.66 C +HETATM 148 O HYP A 24 -18.968 27.207 10.971 1.00 85.39 O +HETATM 149 CB HYP A 24 -20.685 24.950 10.078 1.00 87.85 C +HETATM 150 CG HYP A 24 -21.173 23.553 10.214 1.00 84.65 C +HETATM 151 CD HYP A 24 -20.160 22.908 11.167 1.00 86.58 C +HETATM 152 OD1 HYP A 24 -21.049 22.921 8.954 1.00 82.07 O +HETATM 153 OXT HYP A 24 -18.569 25.780 12.427 1.00 80.45 O +TER 154 HYP A 24 +END diff --git a/protein_pdb_95.txt b/protein_pdb_95.txt new file mode 100644 index 0000000000000000000000000000000000000000..26329ba547ffaf882326e2a57f3f5208854208da --- /dev/null +++ b/protein_pdb_95.txt @@ -0,0 +1,154 @@ +ATOM 1 N GLY A 1 -3.831 -4.125 7.926 1.00 69.04 N +ATOM 2 CA GLY A 1 -3.954 -2.687 7.733 1.00 71.23 C +ATOM 3 C GLY A 1 -4.462 -2.355 6.352 1.00 72.33 C +ATOM 4 O GLY A 1 -4.694 -3.248 5.539 1.00 69.15 O +ATOM 5 N PRO A 2 -4.629 -1.078 6.068 1.00 72.04 N +ATOM 6 CA PRO A 2 -5.161 -0.660 4.780 1.00 73.88 C +ATOM 7 C PRO A 2 -4.154 -0.830 3.654 1.00 74.23 C +ATOM 8 O PRO A 2 -2.951 -0.893 3.882 1.00 72.61 O +ATOM 9 CB PRO A 2 -5.483 0.818 4.995 1.00 71.41 C +ATOM 10 CG PRO A 2 -4.500 1.245 6.021 1.00 67.12 C +ATOM 11 CD PRO A 2 -4.343 0.066 6.935 1.00 65.65 C +HETATM 12 N HYP A 3 -4.638 -0.917 2.476 1.00 75.37 N +HETATM 13 CA HYP A 3 -3.822 -0.934 1.305 1.00 77.46 C +HETATM 14 C HYP A 3 -2.952 0.281 1.156 1.00 78.28 C +HETATM 15 O HYP A 3 -3.343 1.382 1.630 1.00 79.14 O +HETATM 16 CB HYP A 3 -4.842 -1.101 0.184 1.00 75.37 C +HETATM 17 CG HYP A 3 -5.976 -1.826 0.853 1.00 72.06 C +HETATM 18 CD HYP A 3 -6.024 -1.139 2.206 1.00 75.66 C +HETATM 19 OD1 HYP A 3 -5.690 -3.184 1.040 1.00 74.45 O +ATOM 20 N GLY A 4 -1.797 0.136 0.627 1.00 80.00 N +ATOM 21 CA GLY A 4 -0.922 1.258 0.400 1.00 77.95 C +ATOM 22 C GLY A 4 -1.482 2.197 -0.648 1.00 77.41 C +ATOM 23 O GLY A 4 -2.510 1.927 -1.274 1.00 74.99 O +ATOM 24 N PRO A 5 -0.802 3.302 -0.860 1.00 76.44 N +ATOM 25 CA PRO A 5 -1.260 4.287 -1.826 1.00 74.66 C +ATOM 26 C PRO A 5 -1.025 3.823 -3.256 1.00 74.64 C +ATOM 27 O PRO A 5 -0.239 2.924 -3.512 1.00 72.53 O +ATOM 28 CB PRO A 5 -0.409 5.510 -1.492 1.00 71.12 C +ATOM 29 CG PRO A 5 0.853 4.924 -0.968 1.00 68.25 C +ATOM 30 CD PRO A 5 0.434 3.705 -0.198 1.00 68.16 C +HETATM 31 N HYP A 6 -1.699 4.447 -4.186 1.00 73.88 N +HETATM 32 CA HYP A 6 -1.459 4.233 -5.565 1.00 76.08 C +HETATM 33 C HYP A 6 -0.046 4.494 -5.980 1.00 75.37 C +HETATM 34 O HYP A 6 0.620 5.297 -5.332 1.00 74.60 O +HETATM 35 CB HYP A 6 -2.504 5.135 -6.211 1.00 72.38 C +HETATM 36 CG HYP A 6 -3.640 5.164 -5.200 1.00 69.96 C +HETATM 37 CD HYP A 6 -2.885 5.244 -3.916 1.00 74.13 C +HETATM 38 OD1 HYP A 6 -4.411 3.979 -5.221 1.00 69.29 O +ATOM 39 N GLY A 7 0.405 3.829 -6.991 1.00 73.52 N +ATOM 40 CA GLY A 7 1.746 3.998 -7.473 1.00 71.95 C +ATOM 41 C GLY A 7 1.997 5.399 -7.994 1.00 71.90 C +ATOM 42 O GLY A 7 1.089 6.228 -8.065 1.00 69.93 O +ATOM 43 N PRO A 8 3.236 5.664 -8.386 1.00 73.04 N +ATOM 44 CA PRO A 8 3.613 6.990 -8.841 1.00 73.95 C +ATOM 45 C PRO A 8 3.037 7.328 -10.205 1.00 73.82 C +ATOM 46 O PRO A 8 2.665 6.454 -10.982 1.00 72.15 O +ATOM 47 CB PRO A 8 5.135 6.924 -8.878 1.00 71.05 C +ATOM 48 CG PRO A 8 5.420 5.493 -9.153 1.00 70.14 C +ATOM 49 CD PRO A 8 4.358 4.735 -8.405 1.00 70.60 C +HETATM 50 N HYP A 9 3.010 8.597 -10.472 1.00 74.67 N +HETATM 51 CA HYP A 9 2.628 9.105 -11.734 1.00 75.17 C +HETATM 52 C HYP A 9 3.430 8.562 -12.842 1.00 76.38 C +HETATM 53 O HYP A 9 4.475 8.001 -12.622 1.00 76.64 O +HETATM 54 CB HYP A 9 2.541 10.553 -11.652 1.00 75.41 C +HETATM 55 CG HYP A 9 2.383 10.817 -10.200 1.00 69.99 C +HETATM 56 CD HYP A 9 3.137 9.685 -9.559 1.00 74.21 C +HETATM 57 OD1 HYP A 9 1.027 10.710 -9.813 1.00 70.63 O +ATOM 58 N GLY A 10 3.103 8.795 -14.043 1.00 76.61 N +ATOM 59 CA GLY A 10 3.855 8.440 -15.216 1.00 74.85 C +ATOM 60 C GLY A 10 3.453 7.114 -15.812 1.00 73.54 C +ATOM 61 O GLY A 10 3.592 6.920 -17.021 1.00 70.61 O +ATOM 62 N SER A 11 2.949 6.224 -15.019 1.00 75.63 N +ATOM 63 CA SER A 11 2.522 4.923 -15.512 1.00 74.57 C +ATOM 64 C SER A 11 1.570 4.253 -14.525 1.00 74.81 C +ATOM 65 O SER A 11 1.676 3.071 -14.253 1.00 71.40 O +ATOM 66 CB SER A 11 3.733 4.031 -15.770 1.00 69.37 C +ATOM 67 OG SER A 11 3.344 2.832 -16.399 1.00 63.65 O +HETATM 68 N HYP A 12 0.639 4.876 -14.026 1.00 74.00 N +HETATM 69 CA HYP A 12 -0.102 4.522 -12.855 1.00 74.42 C +HETATM 70 C HYP A 12 0.301 3.207 -12.245 1.00 79.02 C +HETATM 71 O HYP A 12 0.118 2.131 -12.860 1.00 76.58 O +HETATM 72 CB HYP A 12 -1.550 4.697 -13.157 1.00 72.29 C +HETATM 73 CG HYP A 12 -1.512 5.640 -14.336 1.00 70.32 C +HETATM 74 CD HYP A 12 -0.285 5.186 -15.086 1.00 74.85 C +HETATM 75 OD1 HYP A 12 -1.329 6.971 -13.956 1.00 71.44 O +ATOM 76 N GLY A 13 0.907 3.295 -11.143 1.00 78.40 N +ATOM 77 CA GLY A 13 1.284 2.095 -10.439 1.00 77.17 C +ATOM 78 C GLY A 13 0.097 1.476 -9.730 1.00 77.71 C +ATOM 79 O GLY A 13 -0.955 2.106 -9.586 1.00 75.74 O +ATOM 80 N PRO A 14 0.258 0.255 -9.277 1.00 77.31 N +ATOM 81 CA PRO A 14 -0.814 -0.406 -8.544 1.00 76.98 C +ATOM 82 C PRO A 14 -0.908 0.131 -7.129 1.00 77.71 C +ATOM 83 O PRO A 14 0.006 0.781 -6.634 1.00 74.59 O +ATOM 84 CB PRO A 14 -0.388 -1.869 -8.552 1.00 73.84 C +ATOM 85 CG PRO A 14 1.101 -1.788 -8.541 1.00 73.35 C +ATOM 86 CD PRO A 14 1.438 -0.601 -9.398 1.00 72.50 C +HETATM 87 N HYP A 15 -1.992 -0.151 -6.475 1.00 77.36 N +HETATM 88 CA HYP A 15 -2.090 0.152 -5.096 1.00 79.48 C +HETATM 89 C HYP A 15 -0.991 -0.534 -4.341 1.00 82.58 C +HETATM 90 O HYP A 15 -0.545 -1.608 -4.746 1.00 78.01 O +HETATM 91 CB HYP A 15 -3.490 -0.351 -4.764 1.00 76.97 C +HETATM 92 CG HYP A 15 -4.224 -0.165 -6.066 1.00 74.71 C +HETATM 93 CD HYP A 15 -3.200 -0.622 -7.072 1.00 76.96 C +HETATM 94 OD1 HYP A 15 -4.550 1.183 -6.285 1.00 73.33 O +ATOM 95 N GLY A 16 -0.557 0.113 -3.311 1.00 75.81 N +ATOM 96 CA GLY A 16 0.449 -0.483 -2.482 1.00 74.95 C +ATOM 97 C GLY A 16 -0.062 -1.732 -1.791 1.00 76.33 C +ATOM 98 O GLY A 16 -1.255 -2.053 -1.837 1.00 75.18 O +ATOM 99 N PRO A 17 0.832 -2.443 -1.141 1.00 73.60 N +ATOM 100 CA PRO A 17 0.432 -3.643 -0.433 1.00 75.38 C +ATOM 101 C PRO A 17 -0.379 -3.302 0.802 1.00 75.32 C +ATOM 102 O PRO A 17 -0.338 -2.187 1.299 1.00 72.19 O +ATOM 103 CB PRO A 17 1.768 -4.293 -0.062 1.00 72.93 C +ATOM 104 CG PRO A 17 2.696 -3.144 0.049 1.00 72.13 C +ATOM 105 CD PRO A 17 2.258 -2.166 -1.006 1.00 71.80 C +HETATM 106 N HYP A 18 -1.095 -4.240 1.294 1.00 78.69 N +HETATM 107 CA HYP A 18 -1.798 -4.068 2.510 1.00 79.18 C +HETATM 108 C HYP A 18 -0.893 -3.645 3.615 1.00 78.45 C +HETATM 109 O HYP A 18 0.288 -4.033 3.639 1.00 79.50 O +HETATM 110 CB HYP A 18 -2.445 -5.433 2.720 1.00 75.14 C +HETATM 111 CG HYP A 18 -2.650 -5.948 1.319 1.00 76.20 C +HETATM 112 CD HYP A 18 -1.394 -5.497 0.641 1.00 80.20 C +HETATM 113 OD1 HYP A 18 -3.749 -5.336 0.682 1.00 76.57 O +ATOM 114 N GLY A 19 -1.397 -2.803 4.484 1.00 73.50 N +ATOM 115 CA GLY A 19 -0.652 -2.400 5.642 1.00 71.29 C +ATOM 116 C GLY A 19 -0.413 -3.572 6.572 1.00 70.91 C +ATOM 117 O GLY A 19 -0.912 -4.679 6.353 1.00 69.30 O +ATOM 118 N PRO A 20 0.348 -3.332 7.622 1.00 72.21 N +ATOM 119 CA PRO A 20 0.652 -4.399 8.557 1.00 73.25 C +ATOM 120 C PRO A 20 -0.574 -4.808 9.349 1.00 72.51 C +ATOM 121 O PRO A 20 -1.532 -4.054 9.471 1.00 70.82 O +ATOM 122 CB PRO A 20 1.715 -3.786 9.460 1.00 71.56 C +ATOM 123 CG PRO A 20 1.432 -2.333 9.403 1.00 69.71 C +ATOM 124 CD PRO A 20 0.957 -2.065 8.005 1.00 69.06 C +HETATM 125 N HYP A 21 -0.551 -5.995 9.901 1.00 80.26 N +HETATM 126 CA HYP A 21 -1.595 -6.446 10.727 1.00 79.28 C +HETATM 127 C HYP A 21 -1.799 -5.539 11.941 1.00 74.76 C +HETATM 128 O HYP A 21 -0.833 -4.918 12.393 1.00 77.28 O +HETATM 129 CB HYP A 21 -1.097 -7.817 11.183 1.00 74.03 C +HETATM 130 CG HYP A 21 -0.223 -8.274 10.065 1.00 72.43 C +HETATM 131 CD HYP A 21 0.445 -7.000 9.636 1.00 79.06 C +HETATM 132 OD1 HYP A 21 -0.986 -8.778 8.981 1.00 75.74 O +ATOM 133 N GLY A 22 -3.021 -5.369 12.345 1.00 69.71 N +ATOM 134 CA GLY A 22 -3.318 -4.616 13.531 1.00 66.76 C +ATOM 135 C GLY A 22 -2.828 -5.331 14.780 1.00 65.64 C +ATOM 136 O GLY A 22 -2.271 -6.429 14.710 1.00 65.34 O +ATOM 137 N PRO A 23 -3.049 -4.716 15.923 1.00 66.91 N +ATOM 138 CA PRO A 23 -2.631 -5.333 17.173 1.00 72.46 C +ATOM 139 C PRO A 23 -3.361 -6.633 17.427 1.00 71.53 C +ATOM 140 O PRO A 23 -4.485 -6.818 16.965 1.00 70.14 O +ATOM 141 CB PRO A 23 -3.015 -4.294 18.231 1.00 68.48 C +ATOM 142 CG PRO A 23 -3.178 -3.033 17.478 1.00 63.32 C +ATOM 143 CD PRO A 23 -3.672 -3.422 16.126 1.00 64.42 C +HETATM 144 N HYP A 24 -2.820 -7.502 18.190 1.00 74.27 N +HETATM 145 CA HYP A 24 -3.512 -8.708 18.523 1.00 67.22 C +HETATM 146 C HYP A 24 -4.820 -8.427 19.217 1.00 64.49 C +HETATM 147 O HYP A 24 -4.989 -7.271 19.624 1.00 69.57 O +HETATM 148 CB HYP A 24 -2.537 -9.396 19.485 1.00 68.81 C +HETATM 149 CG HYP A 24 -1.199 -8.808 19.179 1.00 71.28 C +HETATM 150 CD HYP A 24 -1.525 -7.390 18.760 1.00 71.00 C +HETATM 151 OD1 HYP A 24 -0.624 -9.484 18.075 1.00 71.31 O +HETATM 152 OXT HYP A 24 -5.630 -9.359 19.395 1.00 67.50 O +TER 153 HYP A 24 +END diff --git a/protein_pdb_96.txt b/protein_pdb_96.txt new file mode 100644 index 0000000000000000000000000000000000000000..e20859b73e4356076c884d5ec918e3afd3fd69b0 --- /dev/null +++ b/protein_pdb_96.txt @@ -0,0 +1,1582 @@ +ATOM 1 N GLY A 1 -89.107 92.051 -13.349 1.00 34.59 N +ATOM 2 CA GLY A 1 -87.635 92.040 -13.333 1.00 40.90 C +ATOM 3 C GLY A 1 -87.162 90.718 -13.881 1.00 40.53 C +ATOM 4 O GLY A 1 -87.824 89.714 -13.636 1.00 38.43 O +ATOM 5 N LEU A 2 -86.133 90.755 -14.662 1.00 42.21 N +ATOM 6 CA LEU A 2 -85.524 89.521 -15.169 1.00 50.56 C +ATOM 7 C LEU A 2 -84.868 88.750 -13.997 1.00 47.14 C +ATOM 8 O LEU A 2 -84.333 89.385 -13.087 1.00 47.87 O +ATOM 9 CB LEU A 2 -84.487 89.863 -16.252 1.00 52.20 C +ATOM 10 CG LEU A 2 -85.095 90.408 -17.560 1.00 45.91 C +ATOM 11 CD1 LEU A 2 -84.011 91.010 -18.452 1.00 43.41 C +ATOM 12 CD2 LEU A 2 -85.822 89.317 -18.341 1.00 40.42 C +ATOM 13 N PRO A 3 -84.898 87.405 -13.990 1.00 45.41 N +ATOM 14 CA PRO A 3 -84.188 86.608 -12.992 1.00 50.91 C +ATOM 15 C PRO A 3 -82.686 86.905 -13.032 1.00 49.37 C +ATOM 16 O PRO A 3 -82.111 87.003 -14.116 1.00 48.99 O +ATOM 17 CB PRO A 3 -84.468 85.140 -13.331 1.00 51.75 C +ATOM 18 CG PRO A 3 -85.691 85.180 -14.242 1.00 49.29 C +ATOM 19 CD PRO A 3 -85.577 86.526 -14.935 1.00 49.20 C +ATOM 20 N GLY A 4 -82.091 87.028 -11.867 1.00 47.96 N +ATOM 21 CA GLY A 4 -80.642 87.188 -11.761 1.00 51.77 C +ATOM 22 C GLY A 4 -79.868 86.001 -12.360 1.00 50.57 C +ATOM 23 O GLY A 4 -80.425 84.899 -12.455 1.00 49.80 O +ATOM 24 N PRO A 5 -78.627 86.215 -12.772 1.00 46.45 N +ATOM 25 CA PRO A 5 -77.804 85.158 -13.348 1.00 53.39 C +ATOM 26 C PRO A 5 -77.626 84.002 -12.359 1.00 50.75 C +ATOM 27 O PRO A 5 -77.521 84.198 -11.147 1.00 51.08 O +ATOM 28 CB PRO A 5 -76.471 85.820 -13.737 1.00 54.83 C +ATOM 29 CG PRO A 5 -76.374 87.004 -12.782 1.00 52.66 C +ATOM 30 CD PRO A 5 -77.833 87.427 -12.611 1.00 52.86 C +ATOM 31 N ARG A 6 -77.646 82.794 -12.867 1.00 52.75 N +ATOM 32 CA ARG A 6 -77.383 81.581 -12.092 1.00 59.65 C +ATOM 33 C ARG A 6 -75.996 81.677 -11.470 1.00 56.35 C +ATOM 34 O ARG A 6 -75.037 81.937 -12.178 1.00 53.88 O +ATOM 35 CB ARG A 6 -77.530 80.352 -13.009 1.00 58.57 C +ATOM 36 CG ARG A 6 -77.367 79.021 -12.262 1.00 54.43 C +ATOM 37 CD ARG A 6 -77.621 77.854 -13.229 1.00 52.17 C +ATOM 38 NE ARG A 6 -77.488 76.534 -12.582 1.00 50.22 N +ATOM 39 CZ ARG A 6 -77.773 75.365 -13.115 1.00 45.91 C +ATOM 40 NH1 ARG A 6 -78.225 75.267 -14.345 1.00 47.00 N +ATOM 41 NH2 ARG A 6 -77.613 74.263 -12.436 1.00 46.25 N +ATOM 42 N GLY A 7 -75.911 81.468 -10.155 1.00 50.85 N +ATOM 43 CA GLY A 7 -74.630 81.479 -9.449 1.00 53.69 C +ATOM 44 C GLY A 7 -73.644 80.473 -10.038 1.00 52.62 C +ATOM 45 O GLY A 7 -74.040 79.396 -10.490 1.00 50.96 O +ATOM 46 N GLU A 8 -72.393 80.863 -10.055 1.00 46.46 N +ATOM 47 CA GLU A 8 -71.308 80.012 -10.541 1.00 55.55 C +ATOM 48 C GLU A 8 -71.222 78.724 -9.726 1.00 53.02 C +ATOM 49 O GLU A 8 -71.476 78.681 -8.520 1.00 53.24 O +ATOM 50 CB GLU A 8 -69.964 80.761 -10.539 1.00 55.77 C +ATOM 51 CG GLU A 8 -69.955 81.928 -11.537 1.00 50.35 C +ATOM 52 CD GLU A 8 -68.577 82.601 -11.688 1.00 46.47 C +ATOM 53 OE1 GLU A 8 -68.395 83.290 -12.720 1.00 43.29 O +ATOM 54 OE2 GLU A 8 -67.729 82.427 -10.784 1.00 44.63 O +ATOM 55 N GLN A 9 -70.933 77.650 -10.413 1.00 48.69 N +ATOM 56 CA GLN A 9 -70.744 76.354 -9.784 1.00 57.09 C +ATOM 57 C GLN A 9 -69.562 76.437 -8.815 1.00 54.35 C +ATOM 58 O GLN A 9 -68.480 76.858 -9.187 1.00 52.31 O +ATOM 59 CB GLN A 9 -70.549 75.287 -10.879 1.00 58.48 C +ATOM 60 CG GLN A 9 -70.415 73.860 -10.322 1.00 55.07 C +ATOM 61 CD GLN A 9 -70.362 72.795 -11.428 1.00 51.51 C +ATOM 62 OE1 GLN A 9 -70.567 73.033 -12.606 1.00 51.15 O +ATOM 63 NE2 GLN A 9 -70.108 71.550 -11.078 1.00 48.16 N +ATOM 64 N GLY A 10 -69.776 76.020 -7.560 1.00 49.59 N +ATOM 65 CA GLY A 10 -68.715 76.008 -6.558 1.00 52.99 C +ATOM 66 C GLY A 10 -67.523 75.151 -6.996 1.00 51.33 C +ATOM 67 O GLY A 10 -67.705 74.192 -7.753 1.00 49.92 O +ATOM 68 N PRO A 11 -66.328 75.496 -6.541 1.00 48.58 N +ATOM 69 CA PRO A 11 -65.133 74.765 -6.920 1.00 56.90 C +ATOM 70 C PRO A 11 -65.244 73.297 -6.514 1.00 54.53 C +ATOM 71 O PRO A 11 -65.779 72.965 -5.456 1.00 54.29 O +ATOM 72 CB PRO A 11 -63.960 75.478 -6.230 1.00 57.62 C +ATOM 73 CG PRO A 11 -64.615 76.147 -5.030 1.00 54.12 C +ATOM 74 CD PRO A 11 -66.000 76.516 -5.557 1.00 53.51 C +ATOM 75 N THR A 12 -64.737 72.439 -7.347 1.00 50.67 N +ATOM 76 CA THR A 12 -64.634 71.005 -7.044 1.00 57.11 C +ATOM 77 C THR A 12 -63.858 70.820 -5.742 1.00 52.79 C +ATOM 78 O THR A 12 -62.796 71.410 -5.563 1.00 50.94 O +ATOM 79 CB THR A 12 -63.955 70.250 -8.201 1.00 58.22 C +ATOM 80 OG1 THR A 12 -64.620 70.526 -9.407 1.00 57.23 O +ATOM 81 CG2 THR A 12 -63.960 68.741 -8.013 1.00 56.02 C +ATOM 82 N GLY A 13 -64.402 70.030 -4.823 1.00 46.26 N +ATOM 83 CA GLY A 13 -63.750 69.753 -3.550 1.00 49.43 C +ATOM 84 C GLY A 13 -62.345 69.172 -3.726 1.00 48.82 C +ATOM 85 O GLY A 13 -62.067 68.539 -4.747 1.00 48.26 O +ATOM 86 N PRO A 14 -61.471 69.411 -2.749 1.00 48.41 N +ATOM 87 CA PRO A 14 -60.112 68.914 -2.835 1.00 55.20 C +ATOM 88 C PRO A 14 -60.095 67.386 -2.958 1.00 52.59 C +ATOM 89 O PRO A 14 -60.907 66.680 -2.360 1.00 52.43 O +ATOM 90 CB PRO A 14 -59.400 69.403 -1.564 1.00 55.72 C +ATOM 91 CG PRO A 14 -60.542 69.595 -0.580 1.00 53.49 C +ATOM 92 CD PRO A 14 -61.703 70.041 -1.461 1.00 53.39 C +ATOM 93 N MET A 15 -59.182 66.888 -3.741 1.00 53.96 N +ATOM 94 CA MET A 15 -58.954 65.458 -3.913 1.00 61.80 C +ATOM 95 C MET A 15 -58.654 64.803 -2.559 1.00 59.58 C +ATOM 96 O MET A 15 -57.855 65.312 -1.779 1.00 55.21 O +ATOM 97 CB MET A 15 -57.814 65.258 -4.922 1.00 60.69 C +ATOM 98 CG MET A 15 -57.586 63.808 -5.337 1.00 57.52 C +ATOM 99 SD MET A 15 -56.353 63.720 -6.673 1.00 56.52 S +ATOM 100 CE MET A 15 -56.364 61.954 -7.011 1.00 53.57 C +ATOM 101 N GLY A 16 -59.301 63.681 -2.255 1.00 48.39 N +ATOM 102 CA GLY A 16 -59.069 62.941 -1.010 1.00 50.55 C +ATOM 103 C GLY A 16 -57.611 62.500 -0.875 1.00 50.31 C +ATOM 104 O GLY A 16 -56.945 62.288 -1.890 1.00 49.21 O +ATOM 105 N PRO A 17 -57.127 62.370 0.371 1.00 50.85 N +ATOM 106 CA PRO A 17 -55.756 61.934 0.592 1.00 55.11 C +ATOM 107 C PRO A 17 -55.528 60.555 -0.020 1.00 52.57 C +ATOM 108 O PRO A 17 -56.401 59.686 0.012 1.00 52.28 O +ATOM 109 CB PRO A 17 -55.547 61.943 2.111 1.00 55.44 C +ATOM 110 CG PRO A 17 -56.955 61.768 2.661 1.00 54.72 C +ATOM 111 CD PRO A 17 -57.831 62.498 1.643 1.00 55.24 C +ATOM 112 N ALA A 18 -54.340 60.354 -0.569 1.00 56.59 N +ATOM 113 CA ALA A 18 -53.949 59.059 -1.097 1.00 60.30 C +ATOM 114 C ALA A 18 -54.031 57.981 -0.006 1.00 57.58 C +ATOM 115 O ALA A 18 -53.632 58.207 1.133 1.00 54.65 O +ATOM 116 CB ALA A 18 -52.538 59.158 -1.695 1.00 58.64 C +ATOM 117 N GLY A 19 -54.541 56.793 -0.363 1.00 48.67 N +ATOM 118 CA GLY A 19 -54.602 55.657 0.551 1.00 51.08 C +ATOM 119 C GLY A 19 -53.215 55.267 1.063 1.00 51.60 C +ATOM 120 O GLY A 19 -52.210 55.501 0.384 1.00 50.00 O +ATOM 121 N PRO A 20 -53.148 54.702 2.274 1.00 51.35 N +ATOM 122 CA PRO A 20 -51.874 54.287 2.845 1.00 54.86 C +ATOM 123 C PRO A 20 -51.172 53.283 1.924 1.00 53.05 C +ATOM 124 O PRO A 20 -51.799 52.412 1.323 1.00 52.50 O +ATOM 125 CB PRO A 20 -52.194 53.702 4.227 1.00 54.51 C +ATOM 126 CG PRO A 20 -53.649 53.260 4.094 1.00 53.63 C +ATOM 127 CD PRO A 20 -54.249 54.289 3.138 1.00 54.07 C +ATOM 128 N ARG A 21 -49.845 53.407 1.811 1.00 50.55 N +ATOM 129 CA ARG A 21 -49.007 52.489 1.042 1.00 54.37 C +ATOM 130 C ARG A 21 -49.166 51.066 1.579 1.00 51.69 C +ATOM 131 O ARG A 21 -49.071 50.866 2.787 1.00 50.79 O +ATOM 132 CB ARG A 21 -47.559 52.972 1.102 1.00 54.79 C +ATOM 133 CG ARG A 21 -46.589 52.140 0.246 1.00 53.50 C +ATOM 134 CD ARG A 21 -45.184 52.739 0.320 1.00 55.25 C +ATOM 135 NE ARG A 21 -44.211 52.001 -0.491 1.00 54.34 N +ATOM 136 CZ ARG A 21 -42.941 52.308 -0.671 1.00 48.89 C +ATOM 137 NH1 ARG A 21 -42.397 53.353 -0.102 1.00 49.75 N +ATOM 138 NH2 ARG A 21 -42.181 51.573 -1.433 1.00 48.17 N +ATOM 139 N GLY A 22 -49.370 50.095 0.713 1.00 49.36 N +ATOM 140 CA GLY A 22 -49.423 48.682 1.088 1.00 51.09 C +ATOM 141 C GLY A 22 -48.168 48.253 1.847 1.00 50.90 C +ATOM 142 O GLY A 22 -47.062 48.718 1.553 1.00 48.99 O +ATOM 143 N LEU A 23 -48.371 47.404 2.858 1.00 49.24 N +ATOM 144 CA LEU A 23 -47.255 46.875 3.644 1.00 52.88 C +ATOM 145 C LEU A 23 -46.312 46.070 2.738 1.00 52.04 C +ATOM 146 O LEU A 23 -46.744 45.329 1.866 1.00 51.20 O +ATOM 147 CB LEU A 23 -47.770 46.019 4.817 1.00 51.29 C +ATOM 148 CG LEU A 23 -48.540 46.808 5.902 1.00 48.49 C +ATOM 149 CD1 LEU A 23 -49.107 45.844 6.948 1.00 47.29 C +ATOM 150 CD2 LEU A 23 -47.652 47.822 6.626 1.00 45.48 C +ATOM 151 N GLN A 24 -45.023 46.240 2.979 1.00 50.72 N +ATOM 152 CA GLN A 24 -44.005 45.474 2.280 1.00 55.24 C +ATOM 153 C GLN A 24 -44.199 43.982 2.559 1.00 52.36 C +ATOM 154 O GLN A 24 -44.360 43.587 3.710 1.00 51.00 O +ATOM 155 CB GLN A 24 -42.617 45.993 2.714 1.00 55.44 C +ATOM 156 CG GLN A 24 -41.462 45.315 1.973 1.00 53.81 C +ATOM 157 CD GLN A 24 -40.091 45.920 2.314 1.00 52.54 C +ATOM 158 OE1 GLN A 24 -39.950 46.898 3.042 1.00 51.88 O +ATOM 159 NE2 GLN A 24 -39.023 45.381 1.790 1.00 48.04 N +ATOM 160 N GLY A 25 -44.161 43.138 1.531 1.00 47.62 N +ATOM 161 CA GLY A 25 -44.223 41.684 1.672 1.00 49.73 C +ATOM 162 C GLY A 25 -43.128 41.168 2.611 1.00 49.22 C +ATOM 163 O GLY A 25 -41.998 41.663 2.593 1.00 47.47 O +ATOM 164 N LEU A 26 -43.508 40.218 3.469 1.00 46.41 N +ATOM 165 CA LEU A 26 -42.548 39.593 4.377 1.00 50.26 C +ATOM 166 C LEU A 26 -41.458 38.873 3.572 1.00 50.02 C +ATOM 167 O LEU A 26 -41.726 38.260 2.539 1.00 49.40 O +ATOM 168 CB LEU A 26 -43.267 38.619 5.342 1.00 48.56 C +ATOM 169 CG LEU A 26 -44.225 39.298 6.347 1.00 45.30 C +ATOM 170 CD1 LEU A 26 -44.982 38.232 7.142 1.00 43.78 C +ATOM 171 CD2 LEU A 26 -43.483 40.189 7.336 1.00 42.02 C +ATOM 172 N GLN A 27 -40.223 38.957 4.066 1.00 49.82 N +ATOM 173 CA GLN A 27 -39.100 38.228 3.486 1.00 55.41 C +ATOM 174 C GLN A 27 -39.393 36.723 3.499 1.00 53.29 C +ATOM 175 O GLN A 27 -39.825 36.187 4.511 1.00 51.08 O +ATOM 176 CB GLN A 27 -37.833 38.597 4.277 1.00 54.92 C +ATOM 177 CG GLN A 27 -36.557 37.945 3.715 1.00 52.52 C +ATOM 178 CD GLN A 27 -35.291 38.401 4.445 1.00 50.38 C +ATOM 179 OE1 GLN A 27 -35.284 39.270 5.305 1.00 49.97 O +ATOM 180 NE2 GLN A 27 -34.149 37.842 4.118 1.00 46.39 N +ATOM 181 N GLY A 28 -39.151 36.039 2.375 1.00 46.52 N +ATOM 182 CA GLY A 28 -39.307 34.591 2.274 1.00 48.53 C +ATOM 183 C GLY A 28 -38.477 33.863 3.340 1.00 48.44 C +ATOM 184 O GLY A 28 -37.367 34.286 3.664 1.00 46.86 O +ATOM 185 N LEU A 29 -39.051 32.798 3.906 1.00 46.44 N +ATOM 186 CA LEU A 29 -38.347 31.966 4.877 1.00 50.16 C +ATOM 187 C LEU A 29 -37.101 31.344 4.225 1.00 49.64 C +ATOM 188 O LEU A 29 -37.126 30.938 3.064 1.00 49.24 O +ATOM 189 CB LEU A 29 -39.284 30.896 5.463 1.00 48.93 C +ATOM 190 CG LEU A 29 -40.442 31.448 6.319 1.00 46.44 C +ATOM 191 CD1 LEU A 29 -41.373 30.312 6.732 1.00 45.07 C +ATOM 192 CD2 LEU A 29 -39.944 32.146 7.587 1.00 43.74 C +ATOM 193 N GLN A 30 -36.024 31.291 4.998 1.00 50.11 N +ATOM 194 CA GLN A 30 -34.804 30.615 4.560 1.00 55.31 C +ATOM 195 C GLN A 30 -35.117 29.131 4.315 1.00 52.35 C +ATOM 196 O GLN A 30 -35.675 28.471 5.187 1.00 50.33 O +ATOM 197 CB GLN A 30 -33.719 30.831 5.622 1.00 53.97 C +ATOM 198 CG GLN A 30 -32.374 30.177 5.265 1.00 50.64 C +ATOM 199 CD GLN A 30 -31.263 30.463 6.279 1.00 48.22 C +ATOM 200 OE1 GLN A 30 -31.338 31.315 7.146 1.00 48.76 O +ATOM 201 NE2 GLN A 30 -30.154 29.770 6.183 1.00 45.77 N +ATOM 202 N GLY A 31 -34.749 28.605 3.148 1.00 45.62 N +ATOM 203 CA GLY A 31 -34.910 27.177 2.838 1.00 46.84 C +ATOM 204 C GLY A 31 -34.192 26.299 3.862 1.00 46.84 C +ATOM 205 O GLY A 31 -33.125 26.660 4.362 1.00 45.41 O +ATOM 206 N GLU A 32 -34.807 25.155 4.196 1.00 44.21 N +ATOM 207 CA GLU A 32 -34.211 24.190 5.116 1.00 48.42 C +ATOM 208 C GLU A 32 -32.859 23.697 4.589 1.00 47.44 C +ATOM 209 O GLU A 32 -32.621 23.565 3.384 1.00 46.90 O +ATOM 210 CB GLU A 32 -35.162 23.007 5.390 1.00 47.65 C +ATOM 211 CG GLU A 32 -36.419 23.463 6.159 1.00 44.00 C +ATOM 212 CD GLU A 32 -37.296 22.292 6.632 1.00 40.98 C +ATOM 213 OE1 GLU A 32 -38.103 22.539 7.561 1.00 38.53 O +ATOM 214 OE2 GLU A 32 -37.160 21.188 6.070 1.00 39.18 O +ATOM 215 N ARG A 33 -31.925 23.487 5.526 1.00 47.46 N +ATOM 216 CA ARG A 33 -30.596 22.966 5.210 1.00 49.86 C +ATOM 217 C ARG A 33 -30.745 21.560 4.626 1.00 47.76 C +ATOM 218 O ARG A 33 -31.314 20.702 5.272 1.00 47.47 O +ATOM 219 CB ARG A 33 -29.739 22.986 6.483 1.00 49.47 C +ATOM 220 CG ARG A 33 -28.302 22.499 6.265 1.00 45.95 C +ATOM 221 CD ARG A 33 -27.516 22.586 7.574 1.00 45.93 C +ATOM 222 NE ARG A 33 -26.137 22.121 7.425 1.00 45.69 N +ATOM 223 CZ ARG A 33 -25.204 22.103 8.372 1.00 42.19 C +ATOM 224 NH1 ARG A 33 -25.453 22.527 9.575 1.00 43.44 N +ATOM 225 NH2 ARG A 33 -24.012 21.654 8.114 1.00 42.71 N +ATOM 226 N GLY A 34 -30.212 21.325 3.439 1.00 43.66 N +ATOM 227 CA GLY A 34 -30.189 19.987 2.843 1.00 44.55 C +ATOM 228 C GLY A 34 -29.510 18.965 3.765 1.00 44.94 C +ATOM 229 O GLY A 34 -28.563 19.312 4.479 1.00 43.74 O +ATOM 230 N GLU A 35 -30.019 17.729 3.756 1.00 43.46 N +ATOM 231 CA GLU A 35 -29.449 16.638 4.546 1.00 47.37 C +ATOM 232 C GLU A 35 -27.952 16.470 4.258 1.00 45.93 C +ATOM 233 O GLU A 35 -27.471 16.605 3.134 1.00 45.54 O +ATOM 234 CB GLU A 35 -30.186 15.318 4.312 1.00 46.82 C +ATOM 235 CG GLU A 35 -31.618 15.325 4.880 1.00 42.70 C +ATOM 236 CD GLU A 35 -32.282 13.930 4.838 1.00 40.09 C +ATOM 237 OE1 GLU A 35 -33.251 13.735 5.603 1.00 38.06 O +ATOM 238 OE2 GLU A 35 -31.812 13.081 4.049 1.00 38.64 O +ATOM 239 N GLN A 36 -27.200 16.209 5.332 1.00 48.35 N +ATOM 240 CA GLN A 36 -25.755 16.071 5.277 1.00 50.99 C +ATOM 241 C GLN A 36 -25.376 14.843 4.439 1.00 48.88 C +ATOM 242 O GLN A 36 -25.477 13.713 4.889 1.00 47.23 O +ATOM 243 CB GLN A 36 -25.229 16.023 6.720 1.00 49.66 C +ATOM 244 CG GLN A 36 -23.702 15.952 6.821 1.00 46.38 C +ATOM 245 CD GLN A 36 -23.200 16.019 8.264 1.00 43.85 C +ATOM 246 OE1 GLN A 36 -23.919 16.272 9.214 1.00 44.24 O +ATOM 247 NE2 GLN A 36 -21.924 15.822 8.486 1.00 41.63 N +ATOM 248 N GLY A 37 -24.897 15.069 3.221 1.00 43.18 N +ATOM 249 CA GLY A 37 -24.223 14.016 2.456 1.00 44.28 C +ATOM 250 C GLY A 37 -22.933 13.563 3.146 1.00 44.13 C +ATOM 251 O GLY A 37 -22.338 14.338 3.897 1.00 42.97 O +ATOM 252 N PRO A 38 -22.473 12.328 2.899 1.00 43.67 N +ATOM 253 CA PRO A 38 -21.264 11.821 3.525 1.00 45.94 C +ATOM 254 C PRO A 38 -20.068 12.744 3.224 1.00 44.30 C +ATOM 255 O PRO A 38 -19.716 12.961 2.068 1.00 44.82 O +ATOM 256 CB PRO A 38 -21.080 10.397 2.993 1.00 46.88 C +ATOM 257 CG PRO A 38 -21.838 10.390 1.670 1.00 46.71 C +ATOM 258 CD PRO A 38 -22.982 11.386 1.929 1.00 47.40 C +ATOM 259 N THR A 39 -19.540 13.312 4.285 1.00 44.07 N +ATOM 260 CA THR A 39 -18.353 14.149 4.476 1.00 45.11 C +ATOM 261 C THR A 39 -17.700 14.738 3.207 1.00 43.85 C +ATOM 262 O THR A 39 -16.719 14.223 2.689 1.00 44.13 O +ATOM 263 CB THR A 39 -17.319 13.411 5.346 1.00 44.84 C +ATOM 264 OG1 THR A 39 -17.979 12.591 6.300 1.00 42.99 O +ATOM 265 CG2 THR A 39 -16.467 14.380 6.160 1.00 42.73 C +ATOM 266 N GLY A 40 -18.180 15.884 2.802 1.00 39.68 N +ATOM 267 CA GLY A 40 -17.471 16.854 1.968 1.00 40.43 C +ATOM 268 C GLY A 40 -17.628 18.255 2.571 1.00 40.41 C +ATOM 269 O GLY A 40 -18.500 18.445 3.419 1.00 39.54 O +ATOM 270 N PRO A 41 -16.802 19.256 2.198 1.00 42.17 N +ATOM 271 CA PRO A 41 -16.899 20.603 2.738 1.00 43.84 C +ATOM 272 C PRO A 41 -18.322 21.154 2.553 1.00 42.75 C +ATOM 273 O PRO A 41 -18.968 20.901 1.535 1.00 43.46 O +ATOM 274 CB PRO A 41 -15.847 21.434 2.001 1.00 44.51 C +ATOM 275 CG PRO A 41 -15.628 20.668 0.694 1.00 44.78 C +ATOM 276 CD PRO A 41 -15.845 19.207 1.105 1.00 46.09 C +ATOM 277 N ALA A 42 -18.801 21.900 3.555 1.00 42.76 N +ATOM 278 CA ALA A 42 -20.113 22.517 3.495 1.00 44.63 C +ATOM 279 C ALA A 42 -20.258 23.333 2.200 1.00 43.88 C +ATOM 280 O ALA A 42 -19.413 24.171 1.903 1.00 43.66 O +ATOM 281 CB ALA A 42 -20.326 23.389 4.742 1.00 43.61 C +ATOM 282 N GLY A 43 -21.304 23.052 1.436 1.00 40.29 N +ATOM 283 CA GLY A 43 -21.581 23.798 0.211 1.00 42.27 C +ATOM 284 C GLY A 43 -21.736 25.298 0.496 1.00 42.81 C +ATOM 285 O GLY A 43 -22.101 25.680 1.618 1.00 42.09 O +ATOM 286 N PRO A 44 -21.481 26.179 -0.489 1.00 39.18 N +ATOM 287 CA PRO A 44 -21.638 27.612 -0.324 1.00 42.35 C +ATOM 288 C PRO A 44 -23.063 27.952 0.113 1.00 41.37 C +ATOM 289 O PRO A 44 -24.032 27.309 -0.295 1.00 41.72 O +ATOM 290 CB PRO A 44 -21.268 28.240 -1.676 1.00 43.16 C +ATOM 291 CG PRO A 44 -21.518 27.109 -2.673 1.00 42.65 C +ATOM 292 CD PRO A 44 -21.169 25.850 -1.868 1.00 43.63 C +ATOM 293 N ARG A 45 -23.191 28.982 0.970 1.00 38.89 N +ATOM 294 CA ARG A 45 -24.487 29.489 1.429 1.00 42.49 C +ATOM 295 C ARG A 45 -25.346 29.856 0.216 1.00 41.37 C +ATOM 296 O ARG A 45 -24.886 30.595 -0.644 1.00 41.65 O +ATOM 297 CB ARG A 45 -24.249 30.687 2.353 1.00 42.40 C +ATOM 298 CG ARG A 45 -25.537 31.283 2.948 1.00 38.48 C +ATOM 299 CD ARG A 45 -25.200 32.444 3.875 1.00 36.57 C +ATOM 300 NE ARG A 45 -26.406 33.054 4.451 1.00 34.05 N +ATOM 301 CZ ARG A 45 -26.446 34.056 5.318 1.00 32.15 C +ATOM 302 NH1 ARG A 45 -25.362 34.627 5.760 1.00 33.09 N +ATOM 303 NH2 ARG A 45 -27.582 34.503 5.748 1.00 32.12 N +ATOM 304 N GLY A 46 -26.569 29.355 0.160 1.00 39.98 N +ATOM 305 CA GLY A 46 -27.514 29.721 -0.894 1.00 42.47 C +ATOM 306 C GLY A 46 -27.689 31.244 -0.978 1.00 42.94 C +ATOM 307 O GLY A 46 -27.649 31.933 0.045 1.00 42.09 O +ATOM 308 N LEU A 47 -27.849 31.756 -2.195 1.00 38.00 N +ATOM 309 CA LEU A 47 -28.083 33.181 -2.407 1.00 42.48 C +ATOM 310 C LEU A 47 -29.395 33.600 -1.718 1.00 41.11 C +ATOM 311 O LEU A 47 -30.344 32.806 -1.680 1.00 41.88 O +ATOM 312 CB LEU A 47 -28.104 33.509 -3.912 1.00 42.74 C +ATOM 313 CG LEU A 47 -26.758 33.329 -4.637 1.00 40.42 C +ATOM 314 CD1 LEU A 47 -26.934 33.548 -6.138 1.00 39.05 C +ATOM 315 CD2 LEU A 47 -25.693 34.302 -4.133 1.00 37.21 C +ATOM 316 N PRO A 48 -29.469 34.831 -1.170 1.00 43.72 N +ATOM 317 CA PRO A 48 -30.723 35.364 -0.660 1.00 48.33 C +ATOM 318 C PRO A 48 -31.810 35.296 -1.744 1.00 46.68 C +ATOM 319 O PRO A 48 -31.535 35.610 -2.897 1.00 47.29 O +ATOM 320 CB PRO A 48 -30.433 36.808 -0.251 1.00 48.95 C +ATOM 321 CG PRO A 48 -28.922 36.832 -0.028 1.00 46.38 C +ATOM 322 CD PRO A 48 -28.396 35.816 -1.036 1.00 47.01 C +ATOM 323 N GLY A 49 -33.011 34.910 -1.344 1.00 40.17 N +ATOM 324 CA GLY A 49 -34.152 34.944 -2.257 1.00 42.18 C +ATOM 325 C GLY A 49 -34.365 36.351 -2.838 1.00 42.62 C +ATOM 326 O GLY A 49 -34.094 37.353 -2.168 1.00 41.70 O +ATOM 327 N GLU A 50 -34.852 36.434 -4.076 1.00 35.71 N +ATOM 328 CA GLU A 50 -35.113 37.705 -4.735 1.00 40.33 C +ATOM 329 C GLU A 50 -36.132 38.530 -3.951 1.00 39.94 C +ATOM 330 O GLU A 50 -37.045 38.021 -3.292 1.00 39.53 O +ATOM 331 CB GLU A 50 -35.555 37.516 -6.195 1.00 39.21 C +ATOM 332 CG GLU A 50 -34.414 36.936 -7.059 1.00 34.90 C +ATOM 333 CD GLU A 50 -34.728 36.949 -8.562 1.00 31.56 C +ATOM 334 OE1 GLU A 50 -33.746 36.890 -9.342 1.00 28.94 O +ATOM 335 OE2 GLU A 50 -35.922 37.022 -8.912 1.00 31.67 O +ATOM 336 N ARG A 51 -35.949 39.851 -3.974 1.00 39.28 N +ATOM 337 CA ARG A 51 -36.856 40.788 -3.319 1.00 42.07 C +ATOM 338 C ARG A 51 -38.216 40.713 -3.996 1.00 40.45 C +ATOM 339 O ARG A 51 -38.297 40.946 -5.193 1.00 40.72 O +ATOM 340 CB ARG A 51 -36.249 42.197 -3.382 1.00 42.11 C +ATOM 341 CG ARG A 51 -37.111 43.258 -2.695 1.00 38.68 C +ATOM 342 CD ARG A 51 -36.425 44.613 -2.793 1.00 38.24 C +ATOM 343 NE ARG A 51 -37.207 45.671 -2.156 1.00 36.17 N +ATOM 344 CZ ARG A 51 -36.864 46.945 -2.059 1.00 35.35 C +ATOM 345 NH1 ARG A 51 -35.746 47.401 -2.549 1.00 36.36 N +ATOM 346 NH2 ARG A 51 -37.653 47.795 -1.469 1.00 35.72 N +ATOM 347 N GLY A 52 -39.267 40.445 -3.223 1.00 40.56 N +ATOM 348 CA GLY A 52 -40.626 40.446 -3.764 1.00 41.77 C +ATOM 349 C GLY A 52 -40.954 41.754 -4.482 1.00 42.01 C +ATOM 350 O GLY A 52 -40.548 42.833 -4.037 1.00 40.83 O +ATOM 351 N GLU A 53 -41.716 41.673 -5.599 1.00 38.26 N +ATOM 352 CA GLU A 53 -42.111 42.828 -6.398 1.00 42.66 C +ATOM 353 C GLU A 53 -42.951 43.807 -5.584 1.00 41.73 C +ATOM 354 O GLU A 53 -43.717 43.449 -4.683 1.00 41.53 O +ATOM 355 CB GLU A 53 -42.850 42.406 -7.673 1.00 41.96 C +ATOM 356 CG GLU A 53 -41.938 41.656 -8.668 1.00 37.65 C +ATOM 357 CD GLU A 53 -42.610 41.453 -10.048 1.00 34.43 C +ATOM 358 OE1 GLU A 53 -41.854 41.266 -11.021 1.00 31.97 O +ATOM 359 OE2 GLU A 53 -43.854 41.531 -10.107 1.00 34.28 O +ATOM 360 N GLN A 54 -42.786 45.100 -5.875 1.00 36.65 N +ATOM 361 CA GLN A 54 -43.552 46.147 -5.230 1.00 39.56 C +ATOM 362 C GLN A 54 -45.014 46.048 -5.661 1.00 38.25 C +ATOM 363 O GLN A 54 -45.318 46.115 -6.842 1.00 37.88 O +ATOM 364 CB GLN A 54 -42.910 47.509 -5.565 1.00 39.07 C +ATOM 365 CG GLN A 54 -43.644 48.685 -4.904 1.00 34.93 C +ATOM 366 CD GLN A 54 -42.968 50.029 -5.168 1.00 32.54 C +ATOM 367 OE1 GLN A 54 -41.795 50.155 -5.458 1.00 31.54 O +ATOM 368 NE2 GLN A 54 -43.689 51.116 -5.027 1.00 31.75 N +ATOM 369 N GLY A 55 -45.908 45.925 -4.680 1.00 37.29 N +ATOM 370 CA GLY A 55 -47.343 45.891 -4.971 1.00 38.36 C +ATOM 371 C GLY A 55 -47.817 47.135 -5.740 1.00 37.74 C +ATOM 372 O GLY A 55 -47.269 48.225 -5.539 1.00 36.83 O +ATOM 373 N PRO A 56 -48.848 46.993 -6.615 1.00 36.66 N +ATOM 374 CA PRO A 56 -49.322 48.089 -7.445 1.00 40.42 C +ATOM 375 C PRO A 56 -49.848 49.247 -6.596 1.00 39.12 C +ATOM 376 O PRO A 56 -50.482 49.056 -5.551 1.00 39.80 O +ATOM 377 CB PRO A 56 -50.398 47.487 -8.355 1.00 40.96 C +ATOM 378 CG PRO A 56 -50.888 46.270 -7.583 1.00 40.43 C +ATOM 379 CD PRO A 56 -49.623 45.797 -6.858 1.00 41.51 C +ATOM 380 N THR A 57 -49.607 50.478 -7.053 1.00 33.06 N +ATOM 381 CA THR A 57 -50.135 51.691 -6.420 1.00 34.44 C +ATOM 382 C THR A 57 -51.657 51.706 -6.558 1.00 33.58 C +ATOM 383 O THR A 57 -52.184 51.615 -7.659 1.00 33.62 O +ATOM 384 CB THR A 57 -49.522 52.951 -7.052 1.00 34.05 C +ATOM 385 OG1 THR A 57 -48.114 52.870 -7.021 1.00 31.88 O +ATOM 386 CG2 THR A 57 -49.908 54.234 -6.314 1.00 31.66 C +ATOM 387 N GLY A 58 -52.344 51.818 -5.430 1.00 31.39 N +ATOM 388 CA GLY A 58 -53.805 51.860 -5.438 1.00 32.39 C +ATOM 389 C GLY A 58 -54.346 53.052 -6.233 1.00 31.95 C +ATOM 390 O GLY A 58 -53.824 54.162 -6.136 1.00 31.12 O +ATOM 391 N LEU A 59 -55.428 52.831 -7.031 1.00 31.39 N +ATOM 392 CA LEU A 59 -56.138 53.881 -7.757 1.00 34.46 C +ATOM 393 C LEU A 59 -56.863 54.805 -6.764 1.00 33.33 C +ATOM 394 O LEU A 59 -57.462 54.361 -5.789 1.00 33.89 O +ATOM 395 CB LEU A 59 -57.118 53.264 -8.770 1.00 34.18 C +ATOM 396 CG LEU A 59 -56.455 52.548 -9.962 1.00 32.30 C +ATOM 397 CD1 LEU A 59 -57.512 51.788 -10.771 1.00 30.46 C +ATOM 398 CD2 LEU A 59 -55.753 53.526 -10.904 1.00 29.97 C +ATOM 399 N ALA A 60 -56.813 56.112 -7.025 1.00 26.21 N +ATOM 400 CA ALA A 60 -57.511 57.091 -6.212 1.00 27.66 C +ATOM 401 C ALA A 60 -59.029 56.925 -6.327 1.00 27.07 C +ATOM 402 O ALA A 60 -59.571 56.903 -7.428 1.00 27.15 O +ATOM 403 CB ALA A 60 -57.044 58.492 -6.633 1.00 26.77 C +ATOM 404 N GLY A 61 -59.707 56.838 -5.171 1.00 24.08 N +ATOM 405 CA GLY A 61 -61.169 56.943 -5.120 1.00 24.86 C +ATOM 406 C GLY A 61 -61.931 55.659 -4.798 1.00 24.41 C +ATOM 407 O GLY A 61 -62.837 55.303 -5.529 1.00 23.81 O +ATOM 408 N LYS A 62 -61.619 55.039 -3.726 1.00 25.13 N +ATOM 409 CA LYS A 62 -62.418 54.280 -2.731 1.00 27.39 C +ATOM 410 C LYS A 62 -61.406 53.725 -1.728 1.00 26.22 C +ATOM 411 O LYS A 62 -60.240 53.569 -2.093 1.00 26.05 O +ATOM 412 CB LYS A 62 -63.236 53.133 -3.373 1.00 27.13 C +ATOM 413 CG LYS A 62 -64.674 53.582 -3.730 1.00 25.71 C +ATOM 414 CD LYS A 62 -65.379 52.574 -4.642 1.00 24.01 C +ATOM 415 CE LYS A 62 -66.718 53.123 -5.129 1.00 22.39 C +ATOM 416 NZ LYS A 62 -67.473 52.125 -5.925 1.00 23.16 N +ATOM 417 N ALA A 63 -61.818 53.518 -0.440 1.00 27.90 N +ATOM 418 CA ALA A 63 -60.905 52.874 0.510 1.00 29.61 C +ATOM 419 C ALA A 63 -60.382 51.582 -0.133 1.00 29.03 C +ATOM 420 O ALA A 63 -61.148 50.659 -0.379 1.00 29.04 O +ATOM 421 CB ALA A 63 -61.650 52.609 1.827 1.00 28.54 C +ATOM 422 N GLY A 64 -59.099 51.595 -0.498 1.00 30.85 N +ATOM 423 CA GLY A 64 -58.520 50.518 -1.283 1.00 31.61 C +ATOM 424 C GLY A 64 -58.514 49.226 -0.486 1.00 31.47 C +ATOM 425 O GLY A 64 -58.139 49.222 0.685 1.00 30.53 O +ATOM 426 N GLU A 65 -58.991 48.168 -1.110 1.00 34.25 N +ATOM 427 CA GLU A 65 -58.783 46.826 -0.572 1.00 36.81 C +ATOM 428 C GLU A 65 -57.294 46.626 -0.293 1.00 35.30 C +ATOM 429 O GLU A 65 -56.428 47.092 -1.030 1.00 35.13 O +ATOM 430 CB GLU A 65 -59.324 45.755 -1.536 1.00 36.60 C +ATOM 431 CG GLU A 65 -60.865 45.767 -1.599 1.00 33.56 C +ATOM 432 CD GLU A 65 -61.445 44.687 -2.523 1.00 30.87 C +ATOM 433 OE1 GLU A 65 -62.592 44.268 -2.253 1.00 29.09 O +ATOM 434 OE2 GLU A 65 -60.769 44.322 -3.513 1.00 32.09 O +ATOM 435 N ALA A 66 -57.000 45.978 0.828 1.00 36.88 N +ATOM 436 CA ALA A 66 -55.619 45.661 1.164 1.00 38.24 C +ATOM 437 C ALA A 66 -54.984 44.888 -0.000 1.00 37.28 C +ATOM 438 O ALA A 66 -55.546 43.902 -0.467 1.00 36.95 O +ATOM 439 CB ALA A 66 -55.582 44.865 2.473 1.00 37.43 C +ATOM 440 N GLY A 67 -53.829 45.373 -0.467 1.00 42.59 N +ATOM 441 CA GLY A 67 -53.122 44.723 -1.564 1.00 43.64 C +ATOM 442 C GLY A 67 -52.886 43.245 -1.245 1.00 43.88 C +ATOM 443 O GLY A 67 -52.553 42.892 -0.116 1.00 42.64 O +ATOM 444 N ALA A 68 -53.093 42.382 -2.240 1.00 44.49 N +ATOM 445 CA ALA A 68 -52.855 40.955 -2.093 1.00 47.84 C +ATOM 446 C ALA A 68 -51.420 40.696 -1.590 1.00 46.69 C +ATOM 447 O ALA A 68 -50.465 41.360 -1.998 1.00 46.30 O +ATOM 448 CB ALA A 68 -53.139 40.249 -3.425 1.00 47.14 C +ATOM 449 N LYS A 69 -51.288 39.738 -0.663 1.00 50.22 N +ATOM 450 CA LYS A 69 -49.981 39.315 -0.147 1.00 54.24 C +ATOM 451 C LYS A 69 -49.111 38.876 -1.331 1.00 52.10 C +ATOM 452 O LYS A 69 -49.545 38.048 -2.118 1.00 51.82 O +ATOM 453 CB LYS A 69 -50.192 38.189 0.879 1.00 53.88 C +ATOM 454 CG LYS A 69 -48.896 37.699 1.530 1.00 51.91 C +ATOM 455 CD LYS A 69 -49.198 36.586 2.547 1.00 52.34 C +ATOM 456 CE LYS A 69 -47.898 36.065 3.175 1.00 51.35 C +ATOM 457 NZ LYS A 69 -48.148 34.942 4.105 1.00 47.09 N +ATOM 458 N GLY A 70 -47.906 39.428 -1.423 1.00 48.45 N +ATOM 459 CA GLY A 70 -46.963 39.033 -2.470 1.00 49.43 C +ATOM 460 C GLY A 70 -46.679 37.529 -2.423 1.00 50.19 C +ATOM 461 O GLY A 70 -46.623 36.941 -1.341 1.00 48.18 O +ATOM 462 N GLU A 71 -46.547 36.910 -3.594 1.00 46.08 N +ATOM 463 CA GLU A 71 -46.216 35.490 -3.701 1.00 50.10 C +ATOM 464 C GLU A 71 -44.876 35.192 -3.019 1.00 48.49 C +ATOM 465 O GLU A 71 -43.937 35.981 -3.029 1.00 47.95 O +ATOM 466 CB GLU A 71 -46.217 35.017 -5.164 1.00 50.23 C +ATOM 467 CG GLU A 71 -47.624 35.074 -5.785 1.00 48.29 C +ATOM 468 CD GLU A 71 -47.700 34.425 -7.184 1.00 45.85 C +ATOM 469 OE1 GLU A 71 -48.834 34.091 -7.582 1.00 44.77 O +ATOM 470 OE2 GLU A 71 -46.640 34.275 -7.821 1.00 44.54 O +ATOM 471 N THR A 72 -44.823 34.033 -2.361 1.00 52.15 N +ATOM 472 CA THR A 72 -43.584 33.573 -1.731 1.00 53.61 C +ATOM 473 C THR A 72 -42.560 33.283 -2.821 1.00 51.52 C +ATOM 474 O THR A 72 -42.854 32.517 -3.731 1.00 50.74 O +ATOM 475 CB THR A 72 -43.843 32.323 -0.877 1.00 53.79 C +ATOM 476 OG1 THR A 72 -44.851 32.593 0.086 1.00 52.99 O +ATOM 477 CG2 THR A 72 -42.616 31.849 -0.104 1.00 53.10 C +ATOM 478 N GLY A 73 -41.374 33.891 -2.736 1.00 50.06 N +ATOM 479 CA GLY A 73 -40.307 33.634 -3.703 1.00 50.74 C +ATOM 480 C GLY A 73 -39.953 32.143 -3.771 1.00 50.41 C +ATOM 481 O GLY A 73 -40.039 31.449 -2.756 1.00 48.77 O +ATOM 482 N PRO A 74 -39.571 31.651 -4.946 1.00 47.97 N +ATOM 483 CA PRO A 74 -39.196 30.253 -5.103 1.00 50.32 C +ATOM 484 C PRO A 74 -38.042 29.887 -4.175 1.00 48.07 C +ATOM 485 O PRO A 74 -37.152 30.696 -3.895 1.00 48.47 O +ATOM 486 CB PRO A 74 -38.844 30.076 -6.586 1.00 51.08 C +ATOM 487 CG PRO A 74 -38.434 31.480 -7.032 1.00 51.07 C +ATOM 488 CD PRO A 74 -39.336 32.387 -6.181 1.00 51.46 C +ATOM 489 N ALA A 75 -38.035 28.636 -3.686 1.00 52.49 N +ATOM 490 CA ALA A 75 -36.925 28.125 -2.892 1.00 53.94 C +ATOM 491 C ALA A 75 -35.613 28.202 -3.699 1.00 52.48 C +ATOM 492 O ALA A 75 -35.591 27.871 -4.880 1.00 50.97 O +ATOM 493 CB ALA A 75 -37.233 26.689 -2.440 1.00 52.94 C +ATOM 494 N GLY A 76 -34.541 28.653 -3.042 1.00 49.65 N +ATOM 495 CA GLY A 76 -33.231 28.724 -3.687 1.00 50.65 C +ATOM 496 C GLY A 76 -32.778 27.343 -4.191 1.00 51.24 C +ATOM 497 O GLY A 76 -33.073 26.331 -3.546 1.00 49.57 O +ATOM 498 N PRO A 77 -32.054 27.292 -5.312 1.00 50.39 N +ATOM 499 CA PRO A 77 -31.564 26.028 -5.838 1.00 53.35 C +ATOM 500 C PRO A 77 -30.662 25.332 -4.816 1.00 51.38 C +ATOM 501 O PRO A 77 -29.874 25.964 -4.107 1.00 51.07 O +ATOM 502 CB PRO A 77 -30.834 26.370 -7.138 1.00 53.67 C +ATOM 503 CG PRO A 77 -30.415 27.827 -6.951 1.00 52.48 C +ATOM 504 CD PRO A 77 -31.557 28.405 -6.107 1.00 52.33 C +ATOM 505 N GLN A 78 -30.764 23.990 -4.752 1.00 52.52 N +ATOM 506 CA GLN A 78 -29.876 23.189 -3.923 1.00 55.94 C +ATOM 507 C GLN A 78 -28.419 23.431 -4.339 1.00 53.77 C +ATOM 508 O GLN A 78 -28.089 23.393 -5.521 1.00 51.91 O +ATOM 509 CB GLN A 78 -30.274 21.708 -4.040 1.00 55.43 C +ATOM 510 CG GLN A 78 -29.457 20.789 -3.123 1.00 53.66 C +ATOM 511 CD GLN A 78 -29.894 19.317 -3.197 1.00 52.03 C +ATOM 512 OE1 GLN A 78 -30.825 18.936 -3.883 1.00 53.64 O +ATOM 513 NE2 GLN A 78 -29.231 18.435 -2.486 1.00 50.20 N +ATOM 514 N GLY A 79 -27.533 23.681 -3.360 1.00 51.98 N +ATOM 515 CA GLY A 79 -26.105 23.861 -3.635 1.00 52.85 C +ATOM 516 C GLY A 79 -25.514 22.636 -4.342 1.00 54.00 C +ATOM 517 O GLY A 79 -25.896 21.508 -4.028 1.00 52.34 O +ATOM 518 N PRO A 80 -24.585 22.839 -5.285 1.00 54.69 N +ATOM 519 CA PRO A 80 -23.947 21.728 -5.967 1.00 57.28 C +ATOM 520 C PRO A 80 -23.251 20.820 -4.945 1.00 55.56 C +ATOM 521 O PRO A 80 -22.641 21.279 -3.983 1.00 54.71 O +ATOM 522 CB PRO A 80 -22.973 22.342 -6.973 1.00 56.86 C +ATOM 523 CG PRO A 80 -22.669 23.717 -6.376 1.00 54.63 C +ATOM 524 CD PRO A 80 -23.982 24.103 -5.689 1.00 54.32 C +ATOM 525 N ARG A 81 -23.344 19.495 -5.169 1.00 56.55 N +ATOM 526 CA ARG A 81 -22.613 18.509 -4.372 1.00 60.35 C +ATOM 527 C ARG A 81 -21.115 18.803 -4.471 1.00 58.45 C +ATOM 528 O ARG A 81 -20.601 18.979 -5.568 1.00 56.46 O +ATOM 529 CB ARG A 81 -22.961 17.094 -4.875 1.00 59.23 C +ATOM 530 CG ARG A 81 -22.292 15.978 -4.059 1.00 55.08 C +ATOM 531 CD ARG A 81 -22.748 14.613 -4.580 1.00 54.62 C +ATOM 532 NE ARG A 81 -22.107 13.510 -3.853 1.00 54.46 N +ATOM 533 CZ ARG A 81 -22.341 12.212 -4.024 1.00 49.00 C +ATOM 534 NH1 ARG A 81 -23.196 11.788 -4.907 1.00 49.69 N +ATOM 535 NH2 ARG A 81 -21.702 11.328 -3.318 1.00 49.31 N +ATOM 536 N GLY A 82 -20.412 18.848 -3.329 1.00 54.89 N +ATOM 537 CA GLY A 82 -18.955 19.000 -3.329 1.00 55.26 C +ATOM 538 C GLY A 82 -18.290 17.886 -4.146 1.00 56.63 C +ATOM 539 O GLY A 82 -18.701 16.731 -4.053 1.00 54.63 O +ATOM 540 N GLU A 83 -17.314 18.268 -4.972 1.00 51.68 N +ATOM 541 CA GLU A 83 -16.547 17.284 -5.731 1.00 56.36 C +ATOM 542 C GLU A 83 -15.876 16.302 -4.758 1.00 54.44 C +ATOM 543 O GLU A 83 -15.265 16.693 -3.764 1.00 53.43 O +ATOM 544 CB GLU A 83 -15.507 17.946 -6.644 1.00 55.87 C +ATOM 545 CG GLU A 83 -16.157 18.730 -7.808 1.00 51.94 C +ATOM 546 CD GLU A 83 -15.126 19.302 -8.797 1.00 49.27 C +ATOM 547 OE1 GLU A 83 -15.558 19.707 -9.912 1.00 47.71 O +ATOM 548 OE2 GLU A 83 -13.917 19.369 -8.466 1.00 46.34 O +ATOM 549 N GLN A 84 -16.009 15.003 -5.047 1.00 57.06 N +ATOM 550 CA GLN A 84 -15.298 13.977 -4.302 1.00 58.88 C +ATOM 551 C GLN A 84 -13.797 14.192 -4.488 1.00 56.55 C +ATOM 552 O GLN A 84 -13.335 14.364 -5.608 1.00 54.46 O +ATOM 553 CB GLN A 84 -15.771 12.596 -4.787 1.00 57.92 C +ATOM 554 CG GLN A 84 -15.175 11.431 -3.988 1.00 55.34 C +ATOM 555 CD GLN A 84 -15.756 10.085 -4.390 1.00 53.36 C +ATOM 556 OE1 GLN A 84 -16.697 9.960 -5.154 1.00 54.68 O +ATOM 557 NE2 GLN A 84 -15.237 8.996 -3.866 1.00 50.63 N +ATOM 558 N GLY A 85 -13.034 14.218 -3.386 1.00 53.07 N +ATOM 559 CA GLY A 85 -11.578 14.326 -3.467 1.00 53.09 C +ATOM 560 C GLY A 85 -11.001 13.211 -4.354 1.00 53.90 C +ATOM 561 O GLY A 85 -11.538 12.101 -4.347 1.00 52.44 O +ATOM 562 N PRO A 86 -9.940 13.502 -5.127 1.00 51.75 N +ATOM 563 CA PRO A 86 -9.338 12.490 -5.972 1.00 53.95 C +ATOM 564 C PRO A 86 -8.915 11.281 -5.129 1.00 52.38 C +ATOM 565 O PRO A 86 -8.375 11.443 -4.034 1.00 52.00 O +ATOM 566 CB PRO A 86 -8.153 13.170 -6.669 1.00 54.28 C +ATOM 567 CG PRO A 86 -7.805 14.325 -5.729 1.00 52.88 C +ATOM 568 CD PRO A 86 -9.161 14.720 -5.145 1.00 52.86 C +ATOM 569 N GLN A 87 -9.175 10.077 -5.649 1.00 52.30 N +ATOM 570 CA GLN A 87 -8.715 8.844 -5.019 1.00 55.00 C +ATOM 571 C GLN A 87 -7.190 8.885 -4.866 1.00 53.47 C +ATOM 572 O GLN A 87 -6.483 9.308 -5.780 1.00 51.80 O +ATOM 573 CB GLN A 87 -9.196 7.648 -5.858 1.00 54.27 C +ATOM 574 CG GLN A 87 -8.904 6.288 -5.214 1.00 51.84 C +ATOM 575 CD GLN A 87 -9.510 5.119 -5.989 1.00 49.82 C +ATOM 576 OE1 GLN A 87 -10.222 5.279 -6.964 1.00 50.32 O +ATOM 577 NE2 GLN A 87 -9.260 3.896 -5.577 1.00 46.72 N +ATOM 578 N GLY A 88 -6.691 8.485 -3.693 1.00 50.14 N +ATOM 579 CA GLY A 88 -5.252 8.376 -3.471 1.00 50.52 C +ATOM 580 C GLY A 88 -4.616 7.443 -4.503 1.00 51.02 C +ATOM 581 O GLY A 88 -5.223 6.443 -4.887 1.00 49.47 O +ATOM 582 N LEU A 89 -3.429 7.794 -4.979 1.00 48.52 N +ATOM 583 CA LEU A 89 -2.709 6.917 -5.899 1.00 51.87 C +ATOM 584 C LEU A 89 -2.424 5.575 -5.203 1.00 50.40 C +ATOM 585 O LEU A 89 -2.099 5.583 -4.009 1.00 50.09 O +ATOM 586 CB LEU A 89 -1.402 7.582 -6.369 1.00 51.82 C +ATOM 587 CG LEU A 89 -1.596 8.830 -7.243 1.00 50.06 C +ATOM 588 CD1 LEU A 89 -0.243 9.463 -7.545 1.00 48.99 C +ATOM 589 CD2 LEU A 89 -2.270 8.508 -8.575 1.00 47.68 C +ATOM 590 N PRO A 90 -2.481 4.441 -5.931 1.00 51.60 N +ATOM 591 CA PRO A 90 -2.068 3.146 -5.394 1.00 52.62 C +ATOM 592 C PRO A 90 -0.668 3.225 -4.784 1.00 50.68 C +ATOM 593 O PRO A 90 0.208 3.939 -5.286 1.00 50.53 O +ATOM 594 CB PRO A 90 -2.111 2.165 -6.572 1.00 53.00 C +ATOM 595 CG PRO A 90 -3.146 2.786 -7.513 1.00 52.40 C +ATOM 596 CD PRO A 90 -2.955 4.280 -7.306 1.00 53.01 C +ATOM 597 N GLY A 91 -0.462 2.513 -3.672 1.00 48.84 N +ATOM 598 CA GLY A 91 0.870 2.333 -3.106 1.00 49.32 C +ATOM 599 C GLY A 91 1.804 1.702 -4.147 1.00 49.89 C +ATOM 600 O GLY A 91 1.369 0.910 -4.974 1.00 48.23 O +ATOM 601 N LYS A 92 3.078 2.100 -4.137 1.00 49.55 N +ATOM 602 CA LYS A 92 4.058 1.422 -4.985 1.00 52.61 C +ATOM 603 C LYS A 92 4.191 -0.028 -4.514 1.00 51.49 C +ATOM 604 O LYS A 92 4.208 -0.262 -3.310 1.00 50.84 O +ATOM 605 CB LYS A 92 5.422 2.110 -4.934 1.00 51.74 C +ATOM 606 CG LYS A 92 5.389 3.510 -5.556 1.00 49.35 C +ATOM 607 CD LYS A 92 6.811 4.067 -5.609 1.00 47.84 C +ATOM 608 CE LYS A 92 6.838 5.419 -6.299 1.00 46.44 C +ATOM 609 NZ LYS A 92 8.227 5.851 -6.555 1.00 42.43 N +ATOM 610 N ASP A 93 4.364 -0.935 -5.464 1.00 52.63 N +ATOM 611 CA ASP A 93 4.676 -2.328 -5.168 1.00 54.38 C +ATOM 612 C ASP A 93 5.862 -2.412 -4.208 1.00 53.54 C +ATOM 613 O ASP A 93 6.805 -1.618 -4.279 1.00 52.28 O +ATOM 614 CB ASP A 93 4.962 -3.113 -6.455 1.00 52.58 C +ATOM 615 CG ASP A 93 3.821 -3.069 -7.477 1.00 50.62 C +ATOM 616 OD1 ASP A 93 2.680 -2.757 -7.067 1.00 48.74 O +ATOM 617 OD2 ASP A 93 4.133 -3.229 -8.675 1.00 47.60 O +ATOM 618 N GLY A 94 5.792 -3.365 -3.266 1.00 47.69 N +ATOM 619 CA GLY A 94 6.904 -3.650 -2.371 1.00 47.96 C +ATOM 620 C GLY A 94 8.152 -4.022 -3.169 1.00 48.51 C +ATOM 621 O GLY A 94 8.073 -4.713 -4.182 1.00 47.08 O +ATOM 622 N GLU A 95 9.309 -3.547 -2.716 1.00 45.99 N +ATOM 623 CA GLU A 95 10.574 -4.004 -3.306 1.00 48.13 C +ATOM 624 C GLU A 95 10.674 -5.528 -3.165 1.00 46.73 C +ATOM 625 O GLU A 95 10.317 -6.093 -2.133 1.00 46.60 O +ATOM 626 CB GLU A 95 11.776 -3.295 -2.660 1.00 48.04 C +ATOM 627 CG GLU A 95 11.828 -1.801 -3.048 1.00 45.75 C +ATOM 628 CD GLU A 95 13.011 -1.025 -2.432 1.00 43.78 C +ATOM 629 OE1 GLU A 95 13.211 0.140 -2.863 1.00 43.04 O +ATOM 630 OE2 GLU A 95 13.667 -1.541 -1.509 1.00 42.15 O +ATOM 631 N ALA A 96 11.155 -6.191 -4.219 1.00 50.18 N +ATOM 632 CA ALA A 96 11.383 -7.628 -4.190 1.00 50.72 C +ATOM 633 C ALA A 96 12.266 -7.998 -2.986 1.00 49.68 C +ATOM 634 O ALA A 96 13.247 -7.322 -2.701 1.00 48.87 O +ATOM 635 CB ALA A 96 12.024 -8.067 -5.516 1.00 49.50 C +ATOM 636 N GLY A 97 11.886 -9.072 -2.293 1.00 46.97 N +ATOM 637 CA GLY A 97 12.668 -9.569 -1.165 1.00 47.34 C +ATOM 638 C GLY A 97 14.125 -9.787 -1.567 1.00 47.77 C +ATOM 639 O GLY A 97 14.411 -10.270 -2.662 1.00 46.53 O +ATOM 640 N ALA A 98 15.045 -9.379 -0.690 1.00 46.04 N +ATOM 641 CA ALA A 98 16.463 -9.595 -0.933 1.00 47.95 C +ATOM 642 C ALA A 98 16.724 -11.095 -1.148 1.00 47.43 C +ATOM 643 O ALA A 98 16.167 -11.938 -0.440 1.00 47.01 O +ATOM 644 CB ALA A 98 17.273 -9.027 0.240 1.00 46.63 C +ATOM 645 N GLN A 99 17.569 -11.402 -2.125 1.00 46.62 N +ATOM 646 CA GLN A 99 18.024 -12.773 -2.346 1.00 48.93 C +ATOM 647 C GLN A 99 18.566 -13.353 -1.040 1.00 47.79 C +ATOM 648 O GLN A 99 19.332 -12.685 -0.334 1.00 47.24 O +ATOM 649 CB GLN A 99 19.076 -12.772 -3.463 1.00 48.69 C +ATOM 650 CG GLN A 99 19.603 -14.173 -3.821 1.00 46.58 C +ATOM 651 CD GLN A 99 20.577 -14.164 -5.005 1.00 44.62 C +ATOM 652 OE1 GLN A 99 20.749 -13.185 -5.699 1.00 45.47 O +ATOM 653 NE2 GLN A 99 21.235 -15.264 -5.280 1.00 42.67 N +ATOM 654 N GLY A 100 18.143 -14.565 -0.697 1.00 43.35 N +ATOM 655 CA GLY A 100 18.643 -15.254 0.486 1.00 44.09 C +ATOM 656 C GLY A 100 20.172 -15.264 0.491 1.00 44.24 C +ATOM 657 O GLY A 100 20.776 -15.444 -0.566 1.00 43.38 O +ATOM 658 N PRO A 101 20.814 -15.019 1.651 1.00 43.19 N +ATOM 659 CA PRO A 101 22.267 -15.008 1.710 1.00 45.04 C +ATOM 660 C PRO A 101 22.813 -16.360 1.249 1.00 43.25 C +ATOM 661 O PRO A 101 22.297 -17.405 1.643 1.00 43.82 O +ATOM 662 CB PRO A 101 22.617 -14.697 3.169 1.00 45.82 C +ATOM 663 CG PRO A 101 21.374 -15.138 3.945 1.00 46.28 C +ATOM 664 CD PRO A 101 20.234 -14.856 2.956 1.00 47.26 C +ATOM 665 N ALA A 102 23.880 -16.319 0.441 1.00 43.08 N +ATOM 666 CA ALA A 102 24.646 -17.519 0.127 1.00 43.60 C +ATOM 667 C ALA A 102 25.038 -18.240 1.429 1.00 42.65 C +ATOM 668 O ALA A 102 25.362 -17.603 2.427 1.00 42.69 O +ATOM 669 CB ALA A 102 25.874 -17.130 -0.707 1.00 42.90 C +ATOM 670 N GLY A 103 24.959 -19.573 1.395 1.00 40.25 N +ATOM 671 CA GLY A 103 25.287 -20.394 2.562 1.00 40.69 C +ATOM 672 C GLY A 103 26.625 -19.976 3.190 1.00 40.82 C +ATOM 673 O GLY A 103 27.562 -19.634 2.468 1.00 39.76 O +ATOM 674 N PRO A 104 26.710 -19.939 4.526 1.00 37.23 N +ATOM 675 CA PRO A 104 27.794 -19.239 5.207 1.00 38.91 C +ATOM 676 C PRO A 104 29.161 -19.852 4.910 1.00 37.75 C +ATOM 677 O PRO A 104 29.459 -20.981 5.294 1.00 37.93 O +ATOM 678 CB PRO A 104 27.434 -19.293 6.696 1.00 39.28 C +ATOM 679 CG PRO A 104 26.513 -20.505 6.819 1.00 39.11 C +ATOM 680 CD PRO A 104 25.781 -20.508 5.475 1.00 40.48 C +ATOM 681 N MET A 105 30.044 -19.042 4.304 1.00 40.25 N +ATOM 682 CA MET A 105 31.471 -19.159 4.561 1.00 43.00 C +ATOM 683 C MET A 105 31.715 -18.722 6.015 1.00 43.15 C +ATOM 684 O MET A 105 31.098 -17.771 6.483 1.00 42.98 O +ATOM 685 CB MET A 105 32.247 -18.309 3.539 1.00 42.00 C +ATOM 686 CG MET A 105 33.722 -18.683 3.459 1.00 38.34 C +ATOM 687 SD MET A 105 34.613 -17.900 2.073 1.00 36.48 S +ATOM 688 CE MET A 105 34.811 -16.227 2.718 1.00 34.49 C +ATOM 689 N GLY A 106 32.523 -19.449 6.751 1.00 37.19 N +ATOM 690 CA GLY A 106 32.696 -19.290 8.198 1.00 38.39 C +ATOM 691 C GLY A 106 32.925 -17.844 8.691 1.00 38.01 C +ATOM 692 O GLY A 106 33.325 -16.984 7.905 1.00 37.31 O +ATOM 693 N PRO A 107 32.645 -17.557 9.984 1.00 38.46 N +ATOM 694 CA PRO A 107 32.319 -16.216 10.467 1.00 41.91 C +ATOM 695 C PRO A 107 33.495 -15.238 10.415 1.00 40.49 C +ATOM 696 O PRO A 107 34.586 -15.519 10.902 1.00 41.05 O +ATOM 697 CB PRO A 107 31.818 -16.423 11.905 1.00 43.21 C +ATOM 698 CG PRO A 107 32.509 -17.708 12.353 1.00 42.54 C +ATOM 699 CD PRO A 107 32.554 -18.528 11.065 1.00 43.52 C +ATOM 700 N ALA A 108 33.237 -14.039 9.888 1.00 37.69 N +ATOM 701 CA ALA A 108 34.057 -12.850 10.091 1.00 40.34 C +ATOM 702 C ALA A 108 33.353 -11.899 11.087 1.00 39.46 C +ATOM 703 O ALA A 108 32.132 -11.828 11.116 1.00 39.27 O +ATOM 704 CB ALA A 108 34.330 -12.191 8.737 1.00 38.89 C +ATOM 705 N GLY A 109 34.139 -11.216 11.925 1.00 36.29 N +ATOM 706 CA GLY A 109 33.678 -10.564 13.155 1.00 37.90 C +ATOM 707 C GLY A 109 32.781 -9.321 13.018 1.00 38.05 C +ATOM 708 O GLY A 109 32.656 -8.716 11.953 1.00 37.01 O +ATOM 709 N GLU A 110 32.186 -8.947 14.159 1.00 34.51 N +ATOM 710 CA GLU A 110 31.126 -7.951 14.329 1.00 39.94 C +ATOM 711 C GLU A 110 31.565 -6.489 14.100 1.00 38.84 C +ATOM 712 O GLU A 110 32.711 -6.106 14.352 1.00 38.63 O +ATOM 713 CB GLU A 110 30.526 -8.103 15.736 1.00 39.89 C +ATOM 714 CG GLU A 110 29.889 -9.491 15.989 1.00 35.77 C +ATOM 715 CD GLU A 110 29.275 -9.634 17.391 1.00 32.32 C +ATOM 716 OE1 GLU A 110 28.414 -10.534 17.529 1.00 30.10 O +ATOM 717 OE2 GLU A 110 29.685 -8.885 18.297 1.00 33.18 O +ATOM 718 N ARG A 111 30.614 -5.643 13.644 1.00 38.55 N +ATOM 719 CA ARG A 111 30.774 -4.192 13.446 1.00 41.89 C +ATOM 720 C ARG A 111 29.862 -3.414 14.400 1.00 40.06 C +ATOM 721 O ARG A 111 28.690 -3.725 14.500 1.00 40.44 O +ATOM 722 CB ARG A 111 30.481 -3.847 11.979 1.00 41.47 C +ATOM 723 CG ARG A 111 30.712 -2.365 11.644 1.00 37.18 C +ATOM 724 CD ARG A 111 30.423 -2.098 10.163 1.00 36.65 C +ATOM 725 NE ARG A 111 30.638 -0.692 9.821 1.00 34.26 N +ATOM 726 CZ ARG A 111 30.438 -0.135 8.643 1.00 33.87 C +ATOM 727 NH1 ARG A 111 29.984 -0.822 7.624 1.00 34.42 N +ATOM 728 NH2 ARG A 111 30.687 1.136 8.458 1.00 33.57 N +ATOM 729 N GLY A 112 30.401 -2.363 15.035 1.00 39.27 N +ATOM 730 CA GLY A 112 29.706 -1.580 16.069 1.00 41.67 C +ATOM 731 C GLY A 112 28.559 -0.664 15.602 1.00 41.93 C +ATOM 732 O GLY A 112 28.475 -0.295 14.430 1.00 41.23 O +ATOM 733 N GLU A 113 27.714 -0.291 16.572 1.00 37.02 N +ATOM 734 CA GLU A 113 26.432 0.395 16.421 1.00 43.42 C +ATOM 735 C GLU A 113 26.542 1.892 16.058 1.00 41.27 C +ATOM 736 O GLU A 113 27.526 2.572 16.342 1.00 42.04 O +ATOM 737 CB GLU A 113 25.606 0.241 17.710 1.00 44.86 C +ATOM 738 CG GLU A 113 25.276 -1.223 18.054 1.00 41.25 C +ATOM 739 CD GLU A 113 24.389 -1.352 19.309 1.00 37.51 C +ATOM 740 OE1 GLU A 113 23.711 -2.397 19.404 1.00 34.91 O +ATOM 741 OE2 GLU A 113 24.407 -0.425 20.136 1.00 38.98 O +ATOM 742 N LYS A 114 25.487 2.439 15.411 1.00 47.24 N +ATOM 743 CA LYS A 114 25.349 3.845 15.004 1.00 52.77 C +ATOM 744 C LYS A 114 24.315 4.566 15.890 1.00 49.26 C +ATOM 745 O LYS A 114 23.226 4.056 16.078 1.00 50.88 O +ATOM 746 CB LYS A 114 24.947 3.893 13.516 1.00 53.24 C +ATOM 747 CG LYS A 114 24.832 5.314 12.955 1.00 47.67 C +ATOM 748 CD LYS A 114 24.431 5.288 11.475 1.00 45.87 C +ATOM 749 CE LYS A 114 24.274 6.719 10.949 1.00 42.32 C +ATOM 750 NZ LYS A 114 23.789 6.732 9.557 1.00 39.25 N +ATOM 751 N GLY A 115 24.654 5.776 16.367 1.00 40.09 N +ATOM 752 CA GLY A 115 23.793 6.567 17.259 1.00 42.13 C +ATOM 753 C GLY A 115 22.583 7.238 16.596 1.00 41.99 C +ATOM 754 O GLY A 115 22.579 7.495 15.389 1.00 40.71 O +ATOM 755 N GLU A 116 21.563 7.525 17.416 1.00 33.90 N +ATOM 756 CA GLU A 116 20.253 8.054 17.021 1.00 40.15 C +ATOM 757 C GLU A 116 20.253 9.565 16.675 1.00 37.58 C +ATOM 758 O GLU A 116 21.007 10.340 17.264 1.00 38.85 O +ATOM 759 CB GLU A 116 19.228 7.810 18.139 1.00 41.49 C +ATOM 760 CG GLU A 116 18.968 6.322 18.436 1.00 37.62 C +ATOM 761 CD GLU A 116 17.833 6.117 19.457 1.00 33.16 C +ATOM 762 OE1 GLU A 116 17.215 5.031 19.407 1.00 30.48 O +ATOM 763 OE2 GLU A 116 17.585 7.037 20.262 1.00 36.30 O +ATOM 764 N PRO A 117 19.389 10.034 15.747 1.00 43.26 N +ATOM 765 CA PRO A 117 19.198 11.454 15.444 1.00 49.88 C +ATOM 766 C PRO A 117 18.246 12.171 16.424 1.00 48.79 C +ATOM 767 O PRO A 117 17.233 11.607 16.834 1.00 48.62 O +ATOM 768 CB PRO A 117 18.642 11.518 14.013 1.00 50.35 C +ATOM 769 CG PRO A 117 18.695 10.082 13.506 1.00 46.27 C +ATOM 770 CD PRO A 117 18.683 9.240 14.763 1.00 47.57 C +ATOM 771 N GLY A 118 18.529 13.437 16.723 1.00 36.48 N +ATOM 772 CA GLY A 118 17.715 14.277 17.618 1.00 39.02 C +ATOM 773 C GLY A 118 16.397 14.796 17.020 1.00 38.65 C +ATOM 774 O GLY A 118 16.242 14.915 15.809 1.00 37.81 O +ATOM 775 N THR A 119 15.449 15.144 17.909 1.00 33.70 N +ATOM 776 CA THR A 119 14.075 15.550 17.580 1.00 39.40 C +ATOM 777 C THR A 119 13.958 17.008 17.104 1.00 37.72 C +ATOM 778 O THR A 119 14.609 17.908 17.632 1.00 38.12 O +ATOM 779 CB THR A 119 13.148 15.321 18.782 1.00 39.66 C +ATOM 780 OG1 THR A 119 13.673 15.950 19.927 1.00 35.90 O +ATOM 781 CG2 THR A 119 13.000 13.842 19.131 1.00 34.42 C +ATOM 782 N GLN A 120 13.099 17.270 16.128 1.00 37.82 N +ATOM 783 CA GLN A 120 12.818 18.599 15.560 1.00 44.18 C +ATOM 784 C GLN A 120 11.665 19.307 16.302 1.00 43.03 C +ATOM 785 O GLN A 120 10.650 18.695 16.608 1.00 42.90 O +ATOM 786 CB GLN A 120 12.541 18.440 14.062 1.00 43.53 C +ATOM 787 CG GLN A 120 12.356 19.776 13.315 1.00 37.68 C +ATOM 788 CD GLN A 120 12.198 19.630 11.808 1.00 33.74 C +ATOM 789 OE1 GLN A 120 12.303 18.575 11.210 1.00 31.55 O +ATOM 790 NE2 GLN A 120 11.933 20.715 11.104 1.00 33.88 N +ATOM 791 N GLY A 121 11.826 20.606 16.564 1.00 35.97 N +ATOM 792 CA GLY A 121 10.853 21.427 17.302 1.00 38.07 C +ATOM 793 C GLY A 121 9.522 21.684 16.570 1.00 37.76 C +ATOM 794 O GLY A 121 9.456 21.675 15.341 1.00 36.86 O +ATOM 795 N ALA A 122 8.468 21.928 17.370 1.00 35.26 N +ATOM 796 CA ALA A 122 7.091 22.084 16.909 1.00 41.83 C +ATOM 797 C ALA A 122 6.866 23.363 16.080 1.00 40.55 C +ATOM 798 O ALA A 122 7.389 24.433 16.380 1.00 41.27 O +ATOM 799 CB ALA A 122 6.165 22.034 18.130 1.00 41.96 C +ATOM 800 N LYS A 123 6.059 23.254 15.028 1.00 36.53 N +ATOM 801 CA LYS A 123 5.615 24.350 14.147 1.00 40.74 C +ATOM 802 C LYS A 123 4.213 24.809 14.550 1.00 38.50 C +ATOM 803 O LYS A 123 3.365 23.980 14.833 1.00 39.96 O +ATOM 804 CB LYS A 123 5.675 23.843 12.696 1.00 42.01 C +ATOM 805 CG LYS A 123 5.333 24.924 11.653 1.00 38.34 C +ATOM 806 CD LYS A 123 5.522 24.358 10.243 1.00 36.75 C +ATOM 807 CE LYS A 123 5.207 25.421 9.195 1.00 34.46 C +ATOM 808 NZ LYS A 123 5.459 24.902 7.833 1.00 33.00 N +ATOM 809 N GLY A 124 4.000 26.117 14.552 1.00 38.99 N +ATOM 810 CA GLY A 124 2.750 26.739 15.002 1.00 41.15 C +ATOM 811 C GLY A 124 1.508 26.407 14.158 1.00 41.74 C +ATOM 812 O GLY A 124 1.615 26.037 12.990 1.00 40.19 O +ATOM 813 N ASP A 125 0.353 26.574 14.808 1.00 36.49 N +ATOM 814 CA ASP A 125 -0.953 26.165 14.310 1.00 43.20 C +ATOM 815 C ASP A 125 -1.325 26.843 12.984 1.00 41.00 C +ATOM 816 O ASP A 125 -1.242 28.052 12.813 1.00 40.89 O +ATOM 817 CB ASP A 125 -2.023 26.439 15.387 1.00 43.65 C +ATOM 818 CG ASP A 125 -1.730 25.710 16.702 1.00 41.78 C +ATOM 819 OD1 ASP A 125 -1.370 24.514 16.628 1.00 39.15 O +ATOM 820 OD2 ASP A 125 -1.800 26.377 17.760 1.00 36.29 O +ATOM 821 N ARG A 126 -1.739 26.042 12.018 1.00 39.23 N +ATOM 822 CA ARG A 126 -2.244 26.465 10.710 1.00 42.04 C +ATOM 823 C ARG A 126 -3.753 26.218 10.664 1.00 40.23 C +ATOM 824 O ARG A 126 -4.188 25.156 11.066 1.00 41.02 O +ATOM 825 CB ARG A 126 -1.489 25.711 9.609 1.00 42.42 C +ATOM 826 CG ARG A 126 -1.825 26.201 8.194 1.00 39.08 C +ATOM 827 CD ARG A 126 -0.968 25.470 7.159 1.00 39.21 C +ATOM 828 NE ARG A 126 -1.218 25.971 5.812 1.00 37.46 N +ATOM 829 CZ ARG A 126 -0.543 25.650 4.714 1.00 36.68 C +ATOM 830 NH1 ARG A 126 0.453 24.814 4.745 1.00 38.08 N +ATOM 831 NH2 ARG A 126 -0.864 26.169 3.559 1.00 37.04 N +ATOM 832 N GLY A 127 -4.490 27.192 10.171 1.00 44.68 N +ATOM 833 CA GLY A 127 -5.956 27.147 10.101 1.00 45.56 C +ATOM 834 C GLY A 127 -6.518 25.888 9.441 1.00 45.80 C +ATOM 835 O GLY A 127 -5.860 25.263 8.604 1.00 44.04 O +ATOM 836 N GLU A 128 -7.745 25.534 9.863 1.00 39.35 N +ATOM 837 CA GLU A 128 -8.422 24.282 9.544 1.00 43.72 C +ATOM 838 C GLU A 128 -8.388 23.963 8.046 1.00 41.68 C +ATOM 839 O GLU A 128 -8.902 24.686 7.197 1.00 41.63 O +ATOM 840 CB GLU A 128 -9.867 24.310 10.061 1.00 44.19 C +ATOM 841 CG GLU A 128 -9.940 24.378 11.600 1.00 41.17 C +ATOM 842 CD GLU A 128 -11.381 24.299 12.150 1.00 38.30 C +ATOM 843 OE1 GLU A 128 -11.502 24.003 13.356 1.00 36.52 O +ATOM 844 OE2 GLU A 128 -12.319 24.542 11.371 1.00 38.69 O +ATOM 845 N THR A 129 -7.735 22.879 7.716 1.00 45.35 N +ATOM 846 CA THR A 129 -7.639 22.336 6.362 1.00 45.64 C +ATOM 847 C THR A 129 -8.843 21.429 6.139 1.00 44.14 C +ATOM 848 O THR A 129 -9.220 20.689 7.035 1.00 44.51 O +ATOM 849 CB THR A 129 -6.309 21.590 6.191 1.00 45.10 C +ATOM 850 OG1 THR A 129 -5.230 22.434 6.539 1.00 43.44 O +ATOM 851 CG2 THR A 129 -6.044 21.141 4.758 1.00 43.53 C +ATOM 852 N GLY A 130 -9.456 21.492 4.966 1.00 48.68 N +ATOM 853 CA GLY A 130 -10.574 20.619 4.614 1.00 49.33 C +ATOM 854 C GLY A 130 -10.233 19.127 4.794 1.00 50.03 C +ATOM 855 O GLY A 130 -9.052 18.772 4.819 1.00 48.28 O +ATOM 856 N PRO A 131 -11.269 18.268 4.920 1.00 46.86 N +ATOM 857 CA PRO A 131 -11.055 16.860 5.244 1.00 49.61 C +ATOM 858 C PRO A 131 -10.061 16.218 4.269 1.00 47.92 C +ATOM 859 O PRO A 131 -10.165 16.367 3.053 1.00 48.44 O +ATOM 860 CB PRO A 131 -12.438 16.205 5.202 1.00 50.31 C +ATOM 861 CG PRO A 131 -13.268 17.146 4.330 1.00 49.77 C +ATOM 862 CD PRO A 131 -12.674 18.518 4.645 1.00 50.42 C +ATOM 863 N VAL A 132 -9.081 15.530 4.837 1.00 51.84 N +ATOM 864 CA VAL A 132 -8.072 14.775 4.097 1.00 54.24 C +ATOM 865 C VAL A 132 -8.772 13.640 3.342 1.00 53.71 C +ATOM 866 O VAL A 132 -9.654 12.985 3.889 1.00 52.34 O +ATOM 867 CB VAL A 132 -6.984 14.250 5.059 1.00 52.60 C +ATOM 868 CG1 VAL A 132 -5.878 13.476 4.342 1.00 49.63 C +ATOM 869 CG2 VAL A 132 -6.308 15.403 5.813 1.00 49.11 C +ATOM 870 N GLY A 133 -8.409 13.445 2.075 1.00 50.55 N +ATOM 871 CA GLY A 133 -8.914 12.326 1.292 1.00 51.40 C +ATOM 872 C GLY A 133 -8.590 10.974 1.948 1.00 52.70 C +ATOM 873 O GLY A 133 -7.671 10.898 2.773 1.00 51.27 O +ATOM 874 N PRO A 134 -9.346 9.913 1.620 1.00 50.18 N +ATOM 875 CA PRO A 134 -9.106 8.604 2.209 1.00 53.07 C +ATOM 876 C PRO A 134 -7.645 8.179 2.023 1.00 51.88 C +ATOM 877 O PRO A 134 -7.035 8.439 0.985 1.00 52.01 O +ATOM 878 CB PRO A 134 -10.088 7.650 1.523 1.00 53.35 C +ATOM 879 CG PRO A 134 -10.388 8.343 0.189 1.00 52.30 C +ATOM 880 CD PRO A 134 -10.318 9.825 0.549 1.00 52.13 C +ATOM 881 N ARG A 135 -7.099 7.521 3.050 1.00 53.25 N +ATOM 882 CA ARG A 135 -5.759 6.933 2.996 1.00 56.68 C +ATOM 883 C ARG A 135 -5.681 5.933 1.845 1.00 55.68 C +ATOM 884 O ARG A 135 -6.597 5.142 1.662 1.00 54.24 O +ATOM 885 CB ARG A 135 -5.449 6.281 4.348 1.00 55.66 C +ATOM 886 CG ARG A 135 -4.004 5.765 4.438 1.00 51.52 C +ATOM 887 CD ARG A 135 -3.746 5.188 5.826 1.00 50.59 C +ATOM 888 NE ARG A 135 -2.346 4.773 5.980 1.00 50.29 N +ATOM 889 CZ ARG A 135 -1.809 4.182 7.026 1.00 45.18 C +ATOM 890 NH1 ARG A 135 -2.509 3.845 8.072 1.00 45.56 N +ATOM 891 NH2 ARG A 135 -0.553 3.910 7.053 1.00 45.28 N +ATOM 892 N GLY A 136 -4.588 5.978 1.079 1.00 51.85 N +ATOM 893 CA GLY A 136 -4.341 4.998 0.031 1.00 52.46 C +ATOM 894 C GLY A 136 -4.281 3.572 0.590 1.00 53.72 C +ATOM 895 O GLY A 136 -3.872 3.367 1.738 1.00 52.03 O +ATOM 896 N GLU A 137 -4.715 2.607 -0.212 1.00 47.62 N +ATOM 897 CA GLU A 137 -4.630 1.198 0.175 1.00 51.54 C +ATOM 898 C GLU A 137 -3.171 0.788 0.414 1.00 50.24 C +ATOM 899 O GLU A 137 -2.232 1.315 -0.186 1.00 49.96 O +ATOM 900 CB GLU A 137 -5.294 0.299 -0.873 1.00 51.73 C +ATOM 901 CG GLU A 137 -6.810 0.551 -0.950 1.00 48.75 C +ATOM 902 CD GLU A 137 -7.554 -0.391 -1.911 1.00 46.11 C +ATOM 903 OE1 GLU A 137 -8.801 -0.416 -1.814 1.00 44.93 O +ATOM 904 OE2 GLU A 137 -6.880 -1.039 -2.739 1.00 43.72 O +ATOM 905 N ARG A 138 -2.995 -0.157 1.333 1.00 55.05 N +ATOM 906 CA ARG A 138 -1.682 -0.731 1.632 1.00 57.09 C +ATOM 907 C ARG A 138 -1.144 -1.430 0.384 1.00 55.66 C +ATOM 908 O ARG A 138 -1.862 -2.195 -0.241 1.00 54.38 O +ATOM 909 CB ARG A 138 -1.817 -1.691 2.816 1.00 56.13 C +ATOM 910 CG ARG A 138 -0.458 -2.224 3.276 1.00 52.71 C +ATOM 911 CD ARG A 138 -0.650 -3.143 4.471 1.00 52.25 C +ATOM 912 NE ARG A 138 0.632 -3.577 5.020 1.00 52.37 N +ATOM 913 CZ ARG A 138 0.835 -4.636 5.777 1.00 47.66 C +ATOM 914 NH1 ARG A 138 -0.124 -5.447 6.118 1.00 48.35 N +ATOM 915 NH2 ARG A 138 2.038 -4.893 6.222 1.00 47.62 N +ATOM 916 N GLY A 139 0.132 -1.184 0.048 1.00 51.59 N +ATOM 917 CA GLY A 139 0.786 -1.897 -1.049 1.00 51.86 C +ATOM 918 C GLY A 139 0.830 -3.407 -0.798 1.00 52.72 C +ATOM 919 O GLY A 139 0.906 -3.852 0.352 1.00 51.09 O +ATOM 920 N GLU A 140 0.775 -4.176 -1.874 1.00 47.99 N +ATOM 921 CA GLU A 140 0.911 -5.633 -1.793 1.00 50.80 C +ATOM 922 C GLU A 140 2.276 -6.022 -1.196 1.00 49.01 C +ATOM 923 O GLU A 140 3.276 -5.319 -1.334 1.00 48.97 O +ATOM 924 CB GLU A 140 0.684 -6.292 -3.149 1.00 51.58 C +ATOM 925 CG GLU A 140 -0.763 -6.105 -3.654 1.00 49.12 C +ATOM 926 CD GLU A 140 -1.084 -6.933 -4.911 1.00 46.95 C +ATOM 927 OE1 GLU A 140 -2.301 -7.121 -5.164 1.00 46.42 O +ATOM 928 OE2 GLU A 140 -0.144 -7.385 -5.583 1.00 45.15 O +ATOM 929 N ALA A 141 2.303 -7.167 -0.498 1.00 54.29 N +ATOM 930 CA ALA A 141 3.551 -7.704 0.025 1.00 54.82 C +ATOM 931 C ALA A 141 4.501 -8.059 -1.131 1.00 53.75 C +ATOM 932 O ALA A 141 4.072 -8.568 -2.160 1.00 52.23 O +ATOM 933 CB ALA A 141 3.252 -8.916 0.914 1.00 53.75 C +ATOM 934 N GLY A 142 5.783 -7.777 -0.949 1.00 52.07 N +ATOM 935 CA GLY A 142 6.787 -8.189 -1.928 1.00 52.29 C +ATOM 936 C GLY A 142 6.817 -9.719 -2.076 1.00 52.73 C +ATOM 937 O GLY A 142 6.497 -10.433 -1.127 1.00 51.12 O +ATOM 938 N PRO A 143 7.223 -10.225 -3.255 1.00 52.28 N +ATOM 939 CA PRO A 143 7.364 -11.661 -3.454 1.00 54.84 C +ATOM 940 C PRO A 143 8.367 -12.252 -2.449 1.00 52.57 C +ATOM 941 O PRO A 143 9.337 -11.597 -2.066 1.00 52.46 O +ATOM 942 CB PRO A 143 7.814 -11.843 -4.907 1.00 56.16 C +ATOM 943 CG PRO A 143 8.509 -10.522 -5.228 1.00 55.33 C +ATOM 944 CD PRO A 143 7.703 -9.504 -4.415 1.00 56.18 C +ATOM 945 N ALA A 144 8.143 -13.517 -2.078 1.00 55.67 N +ATOM 946 CA ALA A 144 9.074 -14.249 -1.228 1.00 57.03 C +ATOM 947 C ALA A 144 10.488 -14.281 -1.839 1.00 55.15 C +ATOM 948 O ALA A 144 10.656 -14.325 -3.061 1.00 53.49 O +ATOM 949 CB ALA A 144 8.527 -15.661 -0.981 1.00 56.52 C +ATOM 950 N GLY A 145 11.496 -14.227 -0.979 1.00 52.07 N +ATOM 951 CA GLY A 145 12.883 -14.391 -1.403 1.00 52.88 C +ATOM 952 C GLY A 145 13.099 -15.760 -2.045 1.00 53.60 C +ATOM 953 O GLY A 145 12.435 -16.728 -1.701 1.00 51.97 O +ATOM 954 N LYS A 146 14.034 -15.822 -2.984 1.00 54.07 N +ATOM 955 CA LYS A 146 14.422 -17.107 -3.578 1.00 59.52 C +ATOM 956 C LYS A 146 15.094 -17.982 -2.520 1.00 58.28 C +ATOM 957 O LYS A 146 15.814 -17.472 -1.667 1.00 57.60 O +ATOM 958 CB LYS A 146 15.357 -16.910 -4.772 1.00 58.37 C +ATOM 959 CG LYS A 146 14.682 -16.178 -5.936 1.00 55.11 C +ATOM 960 CD LYS A 146 15.641 -16.073 -7.114 1.00 53.51 C +ATOM 961 CE LYS A 146 14.980 -15.309 -8.275 1.00 51.34 C +ATOM 962 NZ LYS A 146 15.899 -15.180 -9.426 1.00 45.85 N +ATOM 963 N ASP A 147 14.912 -19.296 -2.660 1.00 60.04 N +ATOM 964 CA ASP A 147 15.608 -20.270 -1.821 1.00 63.45 C +ATOM 965 C ASP A 147 17.119 -20.046 -1.853 1.00 62.90 C +ATOM 966 O ASP A 147 17.701 -19.659 -2.870 1.00 59.76 O +ATOM 967 CB ASP A 147 15.281 -21.706 -2.269 1.00 60.78 C +ATOM 968 CG ASP A 147 13.790 -22.040 -2.243 1.00 57.46 C +ATOM 969 OD1 ASP A 147 13.036 -21.297 -1.573 1.00 54.96 O +ATOM 970 OD2 ASP A 147 13.409 -22.977 -2.985 1.00 53.66 O +ATOM 971 N GLY A 148 17.766 -20.267 -0.714 1.00 54.97 N +ATOM 972 CA GLY A 148 19.207 -20.215 -0.622 1.00 56.06 C +ATOM 973 C GLY A 148 19.871 -21.254 -1.536 1.00 57.73 C +ATOM 974 O GLY A 148 19.353 -22.348 -1.737 1.00 55.95 O +ATOM 975 N GLU A 149 21.027 -20.893 -2.069 1.00 51.13 N +ATOM 976 CA GLU A 149 21.802 -21.843 -2.869 1.00 57.04 C +ATOM 977 C GLU A 149 22.191 -23.069 -2.029 1.00 56.24 C +ATOM 978 O GLU A 149 22.463 -22.980 -0.828 1.00 55.35 O +ATOM 979 CB GLU A 149 23.040 -21.177 -3.492 1.00 56.23 C +ATOM 980 CG GLU A 149 22.649 -20.115 -4.541 1.00 52.02 C +ATOM 981 CD GLU A 149 23.863 -19.494 -5.272 1.00 48.72 C +ATOM 982 OE1 GLU A 149 23.607 -18.793 -6.272 1.00 46.68 O +ATOM 983 OE2 GLU A 149 25.006 -19.711 -4.819 1.00 45.19 O +ATOM 984 N ARG A 150 22.214 -24.243 -2.676 1.00 56.17 N +ATOM 985 CA ARG A 150 22.671 -25.479 -2.046 1.00 60.06 C +ATOM 986 C ARG A 150 24.108 -25.307 -1.551 1.00 57.35 C +ATOM 987 O ARG A 150 24.952 -24.801 -2.283 1.00 55.72 O +ATOM 988 CB ARG A 150 22.539 -26.645 -3.040 1.00 60.25 C +ATOM 989 CG ARG A 150 22.812 -28.007 -2.389 1.00 57.63 C +ATOM 990 CD ARG A 150 22.621 -29.126 -3.415 1.00 58.38 C +ATOM 991 NE ARG A 150 22.743 -30.447 -2.782 1.00 57.15 N +ATOM 992 CZ ARG A 150 22.959 -31.606 -3.373 1.00 51.54 C +ATOM 993 NH1 ARG A 150 23.095 -31.742 -4.660 1.00 52.16 N +ATOM 994 NH2 ARG A 150 23.057 -32.685 -2.666 1.00 50.46 N +ATOM 995 N GLY A 151 24.370 -25.719 -0.333 1.00 57.01 N +ATOM 996 CA GLY A 151 25.729 -25.702 0.200 1.00 57.40 C +ATOM 997 C GLY A 151 26.691 -26.513 -0.681 1.00 58.00 C +ATOM 998 O GLY A 151 26.261 -27.449 -1.363 1.00 56.33 O +ATOM 999 N PRO A 152 27.980 -26.165 -0.677 1.00 55.65 N +ATOM 1000 CA PRO A 152 28.961 -26.912 -1.443 1.00 58.81 C +ATOM 1001 C PRO A 152 28.979 -28.384 -1.008 1.00 56.73 C +ATOM 1002 O PRO A 152 28.798 -28.694 0.171 1.00 56.23 O +ATOM 1003 CB PRO A 152 30.305 -26.219 -1.201 1.00 59.29 C +ATOM 1004 CG PRO A 152 30.115 -25.553 0.156 1.00 57.08 C +ATOM 1005 CD PRO A 152 28.625 -25.161 0.148 1.00 57.50 C +ATOM 1006 N VAL A 153 29.219 -29.263 -1.978 1.00 61.83 N +ATOM 1007 CA VAL A 153 29.424 -30.684 -1.708 1.00 65.82 C +ATOM 1008 C VAL A 153 30.597 -30.849 -0.733 1.00 63.84 C +ATOM 1009 O VAL A 153 31.620 -30.173 -0.865 1.00 60.60 O +ATOM 1010 CB VAL A 153 29.653 -31.465 -3.024 1.00 64.40 C +ATOM 1011 CG1 VAL A 153 29.876 -32.957 -2.796 1.00 59.98 C +ATOM 1012 CG2 VAL A 153 28.453 -31.320 -3.967 1.00 61.23 C +ATOM 1013 N GLY A 154 30.420 -31.707 0.255 1.00 56.56 N +ATOM 1014 CA GLY A 154 31.495 -32.021 1.186 1.00 57.20 C +ATOM 1015 C GLY A 154 32.708 -32.602 0.457 1.00 57.31 C +ATOM 1016 O GLY A 154 32.558 -33.216 -0.593 1.00 55.58 O +ATOM 1017 N PRO A 155 33.909 -32.417 1.010 1.00 54.25 N +ATOM 1018 CA PRO A 155 35.095 -33.012 0.407 1.00 58.40 C +ATOM 1019 C PRO A 155 34.926 -34.530 0.315 1.00 55.77 C +ATOM 1020 O PRO A 155 34.361 -35.149 1.225 1.00 55.06 O +ATOM 1021 CB PRO A 155 36.265 -32.612 1.312 1.00 59.13 C +ATOM 1022 CG PRO A 155 35.600 -32.386 2.666 1.00 57.72 C +ATOM 1023 CD PRO A 155 34.221 -31.819 2.289 1.00 58.14 C +ATOM 1024 N ALA A 156 35.451 -35.109 -0.758 1.00 58.59 N +ATOM 1025 CA ALA A 156 35.480 -36.556 -0.901 1.00 62.63 C +ATOM 1026 C ALA A 156 36.169 -37.209 0.308 1.00 59.46 C +ATOM 1027 O ALA A 156 37.091 -36.650 0.905 1.00 57.04 O +ATOM 1028 CB ALA A 156 36.173 -36.923 -2.224 1.00 62.13 C +ATOM 1029 N GLY A 157 35.683 -38.388 0.668 1.00 54.39 N +ATOM 1030 CA GLY A 157 36.343 -39.217 1.663 1.00 55.36 C +ATOM 1031 C GLY A 157 37.777 -39.534 1.235 1.00 55.63 C +ATOM 1032 O GLY A 157 38.088 -39.577 0.049 1.00 53.93 O +ATOM 1033 N LYS A 158 38.649 -39.720 2.208 1.00 55.15 N +ATOM 1034 CA LYS A 158 40.004 -40.170 1.897 1.00 60.81 C +ATOM 1035 C LYS A 158 39.946 -41.586 1.337 1.00 58.96 C +ATOM 1036 O LYS A 158 39.175 -42.397 1.847 1.00 58.42 O +ATOM 1037 CB LYS A 158 40.901 -40.132 3.135 1.00 60.13 C +ATOM 1038 CG LYS A 158 41.125 -38.709 3.649 1.00 57.62 C +ATOM 1039 CD LYS A 158 42.068 -38.732 4.851 1.00 56.14 C +ATOM 1040 CE LYS A 158 42.285 -37.308 5.368 1.00 53.43 C +ATOM 1041 NZ LYS A 158 43.197 -37.292 6.539 1.00 47.95 N +ATOM 1042 N ASP A 159 40.793 -41.844 0.372 1.00 56.51 N +ATOM 1043 CA ASP A 159 40.956 -43.199 -0.144 1.00 60.25 C +ATOM 1044 C ASP A 159 41.230 -44.178 0.996 1.00 58.34 C +ATOM 1045 O ASP A 159 41.892 -43.859 1.992 1.00 55.75 O +ATOM 1046 CB ASP A 159 42.078 -43.253 -1.192 1.00 59.16 C +ATOM 1047 CG ASP A 159 41.866 -42.293 -2.365 1.00 56.59 C +ATOM 1048 OD1 ASP A 159 40.707 -41.870 -2.586 1.00 54.31 O +ATOM 1049 OD2 ASP A 159 42.895 -41.901 -2.971 1.00 52.74 O +ATOM 1050 N GLY A 160 40.708 -45.387 0.846 1.00 54.46 N +ATOM 1051 CA GLY A 160 41.007 -46.480 1.753 1.00 54.83 C +ATOM 1052 C GLY A 160 42.502 -46.783 1.771 1.00 55.42 C +ATOM 1053 O GLY A 160 43.202 -46.625 0.772 1.00 53.52 O +ATOM 1054 N GLN A 161 42.980 -47.188 2.915 1.00 52.80 N +ATOM 1055 CA GLN A 161 44.358 -47.668 2.979 1.00 56.53 C +ATOM 1056 C GLN A 161 44.480 -48.951 2.163 1.00 56.43 C +ATOM 1057 O GLN A 161 43.600 -49.810 2.222 1.00 54.93 O +ATOM 1058 CB GLN A 161 44.794 -47.898 4.425 1.00 56.04 C +ATOM 1059 CG GLN A 161 44.900 -46.574 5.207 1.00 53.95 C +ATOM 1060 CD GLN A 161 45.402 -46.745 6.639 1.00 50.46 C +ATOM 1061 OE1 GLN A 161 45.475 -47.812 7.215 1.00 50.14 O +ATOM 1062 NE2 GLN A 161 45.763 -45.662 7.301 1.00 46.75 N +ATOM 1063 N ASN A 162 45.589 -49.074 1.442 1.00 60.09 N +ATOM 1064 CA ASN A 162 45.882 -50.310 0.736 1.00 64.69 C +ATOM 1065 C ASN A 162 45.847 -51.505 1.702 1.00 62.33 C +ATOM 1066 O ASN A 162 46.250 -51.397 2.865 1.00 59.01 O +ATOM 1067 CB ASN A 162 47.252 -50.211 0.031 1.00 62.72 C +ATOM 1068 CG ASN A 162 47.296 -49.170 -1.071 1.00 59.15 C +ATOM 1069 OD1 ASN A 162 46.329 -48.486 -1.376 1.00 57.33 O +ATOM 1070 ND2 ASN A 162 48.433 -48.980 -1.699 1.00 54.35 N +ATOM 1071 N GLY A 163 45.363 -52.627 1.214 1.00 56.50 N +ATOM 1072 CA GLY A 163 45.425 -53.881 1.955 1.00 56.84 C +ATOM 1073 C GLY A 163 46.873 -54.248 2.281 1.00 57.41 C +ATOM 1074 O GLY A 163 47.797 -53.934 1.536 1.00 55.90 O +ATOM 1075 N GLN A 164 47.054 -54.896 3.406 1.00 54.63 N +ATOM 1076 CA GLN A 164 48.367 -55.442 3.721 1.00 58.42 C +ATOM 1077 C GLN A 164 48.704 -56.570 2.753 1.00 58.51 C +ATOM 1078 O GLN A 164 47.831 -57.356 2.388 1.00 56.73 O +ATOM 1079 CB GLN A 164 48.417 -55.948 5.173 1.00 57.79 C +ATOM 1080 CG GLN A 164 48.317 -54.781 6.171 1.00 54.99 C +ATOM 1081 CD GLN A 164 48.397 -55.226 7.635 1.00 51.69 C +ATOM 1082 OE1 GLN A 164 48.373 -56.385 7.998 1.00 51.08 O +ATOM 1083 NE2 GLN A 164 48.482 -54.289 8.560 1.00 47.60 N +ATOM 1084 N ASP A 165 49.944 -56.620 2.384 1.00 57.67 N +ATOM 1085 CA ASP A 165 50.428 -57.719 1.564 1.00 61.76 C +ATOM 1086 C ASP A 165 50.098 -59.065 2.207 1.00 59.93 C +ATOM 1087 O ASP A 165 50.108 -59.223 3.433 1.00 56.54 O +ATOM 1088 CB ASP A 165 51.944 -57.596 1.325 1.00 60.25 C +ATOM 1089 CG ASP A 165 52.347 -56.355 0.529 1.00 57.44 C +ATOM 1090 OD1 ASP A 165 51.472 -55.811 -0.189 1.00 55.20 O +ATOM 1091 OD2 ASP A 165 53.517 -55.952 0.669 1.00 52.95 O +ATOM 1092 N GLY A 166 49.806 -60.046 1.367 1.00 57.66 N +ATOM 1093 CA GLY A 166 49.594 -61.406 1.826 1.00 57.63 C +ATOM 1094 C GLY A 166 50.840 -61.954 2.529 1.00 57.96 C +ATOM 1095 O GLY A 166 51.965 -61.643 2.165 1.00 56.00 O +ATOM 1096 N LEU A 167 50.610 -62.775 3.533 1.00 54.44 N +ATOM 1097 CA LEU A 167 51.726 -63.450 4.195 1.00 58.57 C +ATOM 1098 C LEU A 167 52.462 -64.347 3.187 1.00 57.70 C +ATOM 1099 O LEU A 167 51.809 -64.976 2.350 1.00 57.12 O +ATOM 1100 CB LEU A 167 51.228 -64.272 5.395 1.00 58.33 C +ATOM 1101 CG LEU A 167 50.657 -63.428 6.551 1.00 55.09 C +ATOM 1102 CD1 LEU A 167 50.084 -64.363 7.611 1.00 53.41 C +ATOM 1103 CD2 LEU A 167 51.711 -62.545 7.213 1.00 52.52 C +ATOM 1104 N PRO A 168 53.776 -64.444 3.305 1.00 60.53 N +ATOM 1105 CA PRO A 168 54.543 -65.381 2.499 1.00 63.84 C +ATOM 1106 C PRO A 168 53.964 -66.799 2.578 1.00 60.88 C +ATOM 1107 O PRO A 168 53.469 -67.231 3.615 1.00 58.70 O +ATOM 1108 CB PRO A 168 55.980 -65.329 3.035 1.00 63.58 C +ATOM 1109 CG PRO A 168 56.080 -63.930 3.618 1.00 58.92 C +ATOM 1110 CD PRO A 168 54.685 -63.663 4.162 1.00 60.04 C +ATOM 1111 N GLY A 169 54.038 -67.491 1.470 1.00 58.63 N +ATOM 1112 CA GLY A 169 53.670 -68.892 1.444 1.00 58.93 C +ATOM 1113 C GLY A 169 54.516 -69.699 2.424 1.00 59.06 C +ATOM 1114 O GLY A 169 55.658 -69.358 2.710 1.00 57.42 O +ATOM 1115 N LYS A 170 53.939 -70.767 2.971 1.00 57.17 N +ATOM 1116 CA LYS A 170 54.704 -71.671 3.837 1.00 61.83 C +ATOM 1117 C LYS A 170 55.762 -72.380 3.004 1.00 61.38 C +ATOM 1118 O LYS A 170 55.467 -72.813 1.888 1.00 60.65 O +ATOM 1119 CB LYS A 170 53.791 -72.689 4.525 1.00 60.19 C +ATOM 1120 CG LYS A 170 52.827 -72.019 5.499 1.00 56.09 C +ATOM 1121 CD LYS A 170 51.976 -73.069 6.226 1.00 54.10 C +ATOM 1122 CE LYS A 170 51.023 -72.351 7.178 1.00 51.79 C +ATOM 1123 NZ LYS A 170 50.170 -73.300 7.925 1.00 46.07 N +ATOM 1124 N ASP A 171 56.902 -72.522 3.597 1.00 59.53 N +ATOM 1125 CA ASP A 171 57.972 -73.301 2.987 1.00 62.25 C +ATOM 1126 C ASP A 171 57.472 -74.686 2.573 1.00 59.43 C +ATOM 1127 O ASP A 171 56.598 -75.294 3.205 1.00 56.84 O +ATOM 1128 CB ASP A 171 59.167 -73.417 3.944 1.00 61.04 C +ATOM 1129 CG ASP A 171 59.779 -72.072 4.331 1.00 57.16 C +ATOM 1130 OD1 ASP A 171 59.587 -71.092 3.572 1.00 55.28 O +ATOM 1131 OD2 ASP A 171 60.390 -72.022 5.417 1.00 53.87 O +ATOM 1132 N GLY A 172 58.027 -75.168 1.482 1.00 60.03 N +ATOM 1133 CA GLY A 172 57.765 -76.519 1.033 1.00 59.68 C +ATOM 1134 C GLY A 172 58.168 -77.545 2.091 1.00 59.84 C +ATOM 1135 O GLY A 172 59.081 -77.319 2.883 1.00 57.63 O +ATOM 1136 N LYS A 173 57.460 -78.662 2.114 1.00 57.38 N +ATOM 1137 CA LYS A 173 57.858 -79.749 3.012 1.00 60.92 C +ATOM 1138 C LYS A 173 59.223 -80.273 2.593 1.00 59.49 C +ATOM 1139 O LYS A 173 59.448 -80.479 1.399 1.00 58.59 O +ATOM 1140 CB LYS A 173 56.829 -80.878 3.007 1.00 60.21 C +ATOM 1141 CG LYS A 173 55.478 -80.458 3.605 1.00 56.01 C +ATOM 1142 CD LYS A 173 54.525 -81.656 3.603 1.00 54.91 C +ATOM 1143 CE LYS A 173 53.164 -81.247 4.184 1.00 52.09 C +ATOM 1144 NZ LYS A 173 52.210 -82.380 4.168 1.00 46.69 N +ATOM 1145 N ASP A 174 60.034 -80.532 3.585 1.00 59.94 N +ATOM 1146 CA ASP A 174 61.325 -81.173 3.352 1.00 61.47 C +ATOM 1147 C ASP A 174 61.169 -82.424 2.483 1.00 59.23 C +ATOM 1148 O ASP A 174 60.181 -83.170 2.577 1.00 56.84 O +ATOM 1149 CB ASP A 174 62.004 -81.536 4.678 1.00 60.63 C +ATOM 1150 CG ASP A 174 62.293 -80.344 5.581 1.00 56.12 C +ATOM 1151 OD1 ASP A 174 62.399 -79.227 5.040 1.00 53.73 O +ATOM 1152 OD2 ASP A 174 62.349 -80.561 6.804 1.00 52.51 O +ATOM 1153 N GLY A 175 62.147 -82.638 1.625 1.00 56.87 N +ATOM 1154 CA GLY A 175 62.214 -83.845 0.812 1.00 56.60 C +ATOM 1155 C GLY A 175 62.192 -85.100 1.689 1.00 56.81 C +ATOM 1156 O GLY A 175 62.768 -85.142 2.771 1.00 54.88 O +ATOM 1157 N GLN A 176 61.503 -86.126 1.240 1.00 50.73 N +ATOM 1158 CA GLN A 176 61.525 -87.400 1.952 1.00 53.71 C +ATOM 1159 C GLN A 176 62.930 -88.000 1.878 1.00 53.31 C +ATOM 1160 O GLN A 176 63.517 -88.082 0.797 1.00 51.99 O +ATOM 1161 CB GLN A 176 60.484 -88.374 1.385 1.00 53.62 C +ATOM 1162 CG GLN A 176 59.048 -87.908 1.668 1.00 50.18 C +ATOM 1163 CD GLN A 176 57.981 -88.886 1.193 1.00 47.65 C +ATOM 1164 OE1 GLN A 176 58.208 -89.868 0.511 1.00 46.30 O +ATOM 1165 NE2 GLN A 176 56.727 -88.651 1.541 1.00 43.31 N +ATOM 1166 N ASN A 177 63.396 -88.399 3.024 1.00 58.25 N +ATOM 1167 CA ASN A 177 64.668 -89.106 3.071 1.00 59.05 C +ATOM 1168 C ASN A 177 64.659 -90.277 2.074 1.00 57.10 C +ATOM 1169 O ASN A 177 63.671 -90.998 1.948 1.00 55.00 O +ATOM 1170 CB ASN A 177 64.951 -89.595 4.503 1.00 57.97 C +ATOM 1171 CG ASN A 177 65.230 -88.465 5.490 1.00 52.46 C +ATOM 1172 OD1 ASN A 177 65.528 -87.352 5.121 1.00 50.10 O +ATOM 1173 ND2 ASN A 177 65.142 -88.707 6.770 1.00 48.70 N +ATOM 1174 N GLY A 178 65.769 -90.422 1.388 1.00 53.60 N +ATOM 1175 CA GLY A 178 65.955 -91.544 0.487 1.00 53.71 C +ATOM 1176 C GLY A 178 65.739 -92.872 1.210 1.00 53.87 C +ATOM 1177 O GLY A 178 66.121 -93.027 2.368 1.00 51.93 O +ATOM 1178 N LYS A 179 65.082 -93.824 0.537 1.00 56.58 N +ATOM 1179 CA LYS A 179 64.950 -95.182 1.085 1.00 58.84 C +ATOM 1180 C LYS A 179 66.338 -95.813 1.212 1.00 58.38 C +ATOM 1181 O LYS A 179 67.144 -95.671 0.297 1.00 55.86 O +ATOM 1182 CB LYS A 179 64.050 -96.051 0.194 1.00 57.48 C +ATOM 1183 CG LYS A 179 62.590 -95.588 0.211 1.00 52.57 C +ATOM 1184 CD LYS A 179 61.716 -96.507 -0.651 1.00 50.82 C +ATOM 1185 CE LYS A 179 60.265 -96.042 -0.622 1.00 48.04 C +ATOM 1186 NZ LYS A 179 59.399 -96.878 -1.476 1.00 43.23 N +ATOM 1187 N ASP A 180 66.562 -96.488 2.330 1.00 54.92 N +ATOM 1188 CA ASP A 180 67.819 -97.165 2.621 1.00 56.67 C +ATOM 1189 C ASP A 180 68.265 -98.062 1.468 1.00 56.43 C +ATOM 1190 O ASP A 180 67.688 -99.123 1.204 1.00 53.14 O +ATOM 1191 CB ASP A 180 67.695 -97.985 3.922 1.00 54.81 C +ATOM 1192 CG ASP A 180 67.463 -97.115 5.155 1.00 49.63 C +ATOM 1193 OD1 ASP A 180 68.143 -96.068 5.258 1.00 46.63 O +ATOM 1194 OD2 ASP A 180 66.598 -97.499 5.977 1.00 45.16 O +ATOM 1195 N GLY A 181 69.292 -97.581 0.767 1.00 51.99 N +ATOM 1196 CA GLY A 181 69.926 -98.250 -0.356 1.00 53.83 C +ATOM 1197 C GLY A 181 70.998 -97.342 -0.959 1.00 54.13 C +ATOM 1198 O GLY A 181 70.883 -96.129 -0.854 1.00 51.81 O +ATOM 1199 N PRO A 182 72.082 -97.910 -1.561 1.00 55.45 N +ATOM 1200 CA PRO A 182 73.241 -97.104 -1.887 1.00 58.27 C +ATOM 1201 C PRO A 182 72.943 -96.057 -2.976 1.00 58.32 C +ATOM 1202 O PRO A 182 72.746 -96.401 -4.143 1.00 56.27 O +ATOM 1203 CB PRO A 182 74.351 -98.096 -2.278 1.00 58.22 C +ATOM 1204 CG PRO A 182 73.566 -99.296 -2.792 1.00 54.82 C +ATOM 1205 CD PRO A 182 72.299 -99.283 -1.943 1.00 56.38 C +ATOM 1206 N GLY A 183 72.993 -94.797 -2.580 1.00 48.52 N +ATOM 1207 CA GLY A 183 73.412 -93.654 -3.356 1.00 50.30 C +ATOM 1208 C GLY A 183 72.401 -93.015 -4.307 1.00 51.69 C +ATOM 1209 O GLY A 183 72.605 -93.057 -5.514 1.00 49.82 O +ATOM 1210 N LYS A 184 71.414 -92.316 -3.786 1.00 51.85 N +ATOM 1211 CA LYS A 184 70.940 -91.028 -4.338 1.00 56.02 C +ATOM 1212 C LYS A 184 70.371 -90.194 -3.193 1.00 57.28 C +ATOM 1213 O LYS A 184 69.410 -90.624 -2.559 1.00 55.43 O +ATOM 1214 CB LYS A 184 69.866 -91.189 -5.435 1.00 54.88 C +ATOM 1215 CG LYS A 184 70.449 -91.729 -6.733 1.00 49.74 C +ATOM 1216 CD LYS A 184 69.490 -91.712 -7.921 1.00 48.20 C +ATOM 1217 CE LYS A 184 70.249 -92.341 -9.091 1.00 44.80 C +ATOM 1218 NZ LYS A 184 69.407 -92.503 -10.292 1.00 41.19 N +ATOM 1219 N ASP A 185 70.962 -89.017 -2.989 1.00 53.51 N +ATOM 1220 CA ASP A 185 70.430 -88.037 -2.055 1.00 56.66 C +ATOM 1221 C ASP A 185 68.982 -87.706 -2.418 1.00 56.54 C +ATOM 1222 O ASP A 185 68.601 -87.669 -3.595 1.00 55.23 O +ATOM 1223 CB ASP A 185 71.334 -86.786 -2.035 1.00 55.93 C +ATOM 1224 CG ASP A 185 72.791 -87.097 -1.674 1.00 51.62 C +ATOM 1225 OD1 ASP A 185 73.004 -88.060 -0.908 1.00 49.36 O +ATOM 1226 OD2 ASP A 185 73.687 -86.440 -2.241 1.00 48.19 O +ATOM 1227 N GLY A 186 68.193 -87.574 -1.420 1.00 54.93 N +ATOM 1228 CA GLY A 186 66.820 -87.134 -1.606 1.00 55.75 C +ATOM 1229 C GLY A 186 66.799 -85.774 -2.306 1.00 56.00 C +ATOM 1230 O GLY A 186 67.675 -84.943 -2.076 1.00 54.36 O +ATOM 1231 N LYS A 187 65.856 -85.567 -3.191 1.00 56.87 N +ATOM 1232 CA LYS A 187 65.710 -84.247 -3.816 1.00 61.14 C +ATOM 1233 C LYS A 187 65.229 -83.261 -2.766 1.00 61.17 C +ATOM 1234 O LYS A 187 64.268 -83.557 -2.057 1.00 60.72 O +ATOM 1235 CB LYS A 187 64.723 -84.283 -4.990 1.00 60.20 C +ATOM 1236 CG LYS A 187 65.249 -85.093 -6.175 1.00 55.43 C +ATOM 1237 CD LYS A 187 64.253 -85.006 -7.328 1.00 54.00 C +ATOM 1238 CE LYS A 187 64.757 -85.790 -8.547 1.00 51.14 C +ATOM 1239 NZ LYS A 187 63.817 -85.683 -9.685 1.00 46.01 N +ATOM 1240 N ASP A 188 65.882 -82.087 -2.749 1.00 64.23 N +ATOM 1241 CA ASP A 188 65.441 -80.992 -1.887 1.00 66.39 C +ATOM 1242 C ASP A 188 63.956 -80.695 -2.112 1.00 65.54 C +ATOM 1243 O ASP A 188 63.428 -80.805 -3.229 1.00 62.45 O +ATOM 1244 CB ASP A 188 66.290 -79.729 -2.139 1.00 63.91 C +ATOM 1245 CG ASP A 188 67.782 -79.928 -1.861 1.00 59.32 C +ATOM 1246 OD1 ASP A 188 68.110 -80.801 -1.032 1.00 56.67 O +ATOM 1247 OD2 ASP A 188 68.582 -79.242 -2.532 1.00 55.16 O +ATOM 1248 N GLY A 189 63.305 -80.386 -1.049 1.00 65.28 N +ATOM 1249 CA GLY A 189 61.922 -79.939 -1.112 1.00 64.74 C +ATOM 1250 C GLY A 189 61.798 -78.674 -1.971 1.00 64.93 C +ATOM 1251 O GLY A 189 62.682 -77.821 -1.967 1.00 62.93 O +ATOM 1252 N GLN A 190 60.740 -78.572 -2.728 1.00 61.34 N +ATOM 1253 CA GLN A 190 60.476 -77.336 -3.460 1.00 65.32 C +ATOM 1254 C GLN A 190 60.021 -76.251 -2.487 1.00 65.52 C +ATOM 1255 O GLN A 190 59.137 -76.504 -1.661 1.00 63.48 O +ATOM 1256 CB GLN A 190 59.421 -77.543 -4.559 1.00 63.49 C +ATOM 1257 CG GLN A 190 59.945 -78.448 -5.680 1.00 59.54 C +ATOM 1258 CD GLN A 190 58.955 -78.627 -6.836 1.00 55.63 C +ATOM 1259 OE1 GLN A 190 57.808 -78.238 -6.824 1.00 54.93 O +ATOM 1260 NE2 GLN A 190 59.381 -79.260 -7.898 1.00 50.49 N +ATOM 1261 N ASN A 191 60.599 -75.064 -2.627 1.00 71.65 N +ATOM 1262 CA ASN A 191 60.151 -73.918 -1.853 1.00 73.05 C +ATOM 1263 C ASN A 191 58.649 -73.695 -2.068 1.00 71.12 C +ATOM 1264 O ASN A 191 58.116 -73.911 -3.156 1.00 67.35 O +ATOM 1265 CB ASN A 191 60.966 -72.666 -2.229 1.00 69.60 C +ATOM 1266 CG ASN A 191 62.435 -72.748 -1.859 1.00 64.05 C +ATOM 1267 OD1 ASN A 191 62.904 -73.672 -1.210 1.00 61.73 O +ATOM 1268 ND2 ASN A 191 63.230 -71.796 -2.275 1.00 59.37 N +ATOM 1269 N GLY A 192 57.997 -73.281 -1.031 1.00 71.91 N +ATOM 1270 CA GLY A 192 56.614 -72.846 -1.114 1.00 70.91 C +ATOM 1271 C GLY A 192 56.465 -71.656 -2.064 1.00 71.59 C +ATOM 1272 O GLY A 192 57.382 -70.853 -2.223 1.00 69.72 O +ATOM 1273 N LYS A 193 55.334 -71.569 -2.729 1.00 66.09 N +ATOM 1274 CA LYS A 193 55.043 -70.381 -3.544 1.00 70.13 C +ATOM 1275 C LYS A 193 54.754 -69.207 -2.625 1.00 70.45 C +ATOM 1276 O LYS A 193 54.059 -69.380 -1.625 1.00 69.16 O +ATOM 1277 CB LYS A 193 53.854 -70.627 -4.476 1.00 66.88 C +ATOM 1278 CG LYS A 193 54.162 -71.689 -5.537 1.00 62.13 C +ATOM 1279 CD LYS A 193 52.970 -71.837 -6.487 1.00 59.85 C +ATOM 1280 CE LYS A 193 53.274 -72.903 -7.535 1.00 56.57 C +ATOM 1281 NZ LYS A 193 52.147 -73.070 -8.485 1.00 50.56 N +ATOM 1282 N ASP A 194 55.223 -68.036 -3.033 1.00 71.24 N +ATOM 1283 CA ASP A 194 54.890 -66.801 -2.333 1.00 73.36 C +ATOM 1284 C ASP A 194 53.376 -66.632 -2.210 1.00 72.60 C +ATOM 1285 O ASP A 194 52.596 -67.053 -3.075 1.00 67.65 O +ATOM 1286 CB ASP A 194 55.522 -65.594 -3.049 1.00 69.84 C +ATOM 1287 CG ASP A 194 57.045 -65.676 -3.143 1.00 66.31 C +ATOM 1288 OD1 ASP A 194 57.649 -66.383 -2.307 1.00 63.71 O +ATOM 1289 OD2 ASP A 194 57.586 -65.096 -4.108 1.00 60.77 O +ATOM 1290 N GLY A 195 52.985 -66.055 -1.133 1.00 73.68 N +ATOM 1291 CA GLY A 195 51.593 -65.693 -0.931 1.00 72.62 C +ATOM 1292 C GLY A 195 51.130 -64.665 -1.970 1.00 73.06 C +ATOM 1293 O GLY A 195 51.914 -63.863 -2.454 1.00 71.04 O +ATOM 1294 N LEU A 196 49.878 -64.719 -2.304 1.00 64.71 N +ATOM 1295 CA LEU A 196 49.316 -63.690 -3.177 1.00 67.79 C +ATOM 1296 C LEU A 196 49.306 -62.343 -2.447 1.00 67.13 C +ATOM 1297 O LEU A 196 48.998 -62.319 -1.251 1.00 65.45 O +ATOM 1298 CB LEU A 196 47.894 -64.072 -3.623 1.00 65.82 C +ATOM 1299 CG LEU A 196 47.822 -65.310 -4.538 1.00 61.70 C +ATOM 1300 CD1 LEU A 196 46.368 -65.664 -4.803 1.00 59.32 C +ATOM 1301 CD2 LEU A 196 48.516 -65.084 -5.884 1.00 58.27 C +ATOM 1302 N PRO A 197 49.570 -61.226 -3.153 1.00 70.01 N +ATOM 1303 CA PRO A 197 49.423 -59.889 -2.580 1.00 72.73 C +ATOM 1304 C PRO A 197 48.033 -59.697 -1.973 1.00 70.37 C +ATOM 1305 O PRO A 197 47.038 -60.232 -2.468 1.00 66.43 O +ATOM 1306 CB PRO A 197 49.683 -58.900 -3.719 1.00 71.08 C +ATOM 1307 CG PRO A 197 50.589 -59.676 -4.664 1.00 66.85 C +ATOM 1308 CD PRO A 197 50.097 -61.110 -4.518 1.00 67.54 C +ATOM 1309 N GLY A 198 47.998 -58.963 -0.908 1.00 72.74 N +ATOM 1310 CA GLY A 198 46.734 -58.523 -0.340 1.00 72.64 C +ATOM 1311 C GLY A 198 45.928 -57.705 -1.353 1.00 72.95 C +ATOM 1312 O GLY A 198 46.488 -57.066 -2.240 1.00 71.38 O +ATOM 1313 N LYS A 199 44.631 -57.764 -1.243 1.00 66.25 N +ATOM 1314 CA LYS A 199 43.783 -56.903 -2.076 1.00 70.30 C +ATOM 1315 C LYS A 199 43.886 -55.471 -1.583 1.00 69.69 C +ATOM 1316 O LYS A 199 43.864 -55.250 -0.378 1.00 67.78 O +ATOM 1317 CB LYS A 199 42.322 -57.362 -2.045 1.00 67.31 C +ATOM 1318 CG LYS A 199 42.146 -58.732 -2.701 1.00 62.91 C +ATOM 1319 CD LYS A 199 40.657 -59.122 -2.725 1.00 59.59 C +ATOM 1320 CE LYS A 199 40.502 -60.497 -3.374 1.00 56.62 C +ATOM 1321 NZ LYS A 199 39.087 -60.909 -3.430 1.00 50.34 N +ATOM 1322 N ASP A 200 43.902 -54.530 -2.516 1.00 68.60 N +ATOM 1323 CA ASP A 200 43.836 -53.116 -2.183 1.00 71.15 C +ATOM 1324 C ASP A 200 42.619 -52.815 -1.301 1.00 68.71 C +ATOM 1325 O ASP A 200 41.564 -53.456 -1.402 1.00 63.90 O +ATOM 1326 CB ASP A 200 43.823 -52.255 -3.466 1.00 68.13 C +ATOM 1327 CG ASP A 200 45.061 -52.464 -4.341 1.00 64.01 C +ATOM 1328 OD1 ASP A 200 46.107 -52.880 -3.793 1.00 61.42 O +ATOM 1329 OD2 ASP A 200 44.927 -52.275 -5.572 1.00 58.64 O +ATOM 1330 N GLY A 201 42.802 -51.872 -0.417 1.00 70.90 N +ATOM 1331 CA GLY A 201 41.706 -51.349 0.387 1.00 70.35 C +ATOM 1332 C GLY A 201 40.621 -50.743 -0.508 1.00 70.12 C +ATOM 1333 O GLY A 201 40.889 -50.269 -1.605 1.00 68.43 O +ATOM 1334 N LYS A 202 39.409 -50.792 -0.034 1.00 64.07 N +ATOM 1335 CA LYS A 202 38.323 -50.115 -0.753 1.00 67.40 C +ATOM 1336 C LYS A 202 38.511 -48.609 -0.635 1.00 66.09 C +ATOM 1337 O LYS A 202 38.818 -48.126 0.451 1.00 63.75 O +ATOM 1338 CB LYS A 202 36.949 -50.508 -0.196 1.00 64.83 C +ATOM 1339 CG LYS A 202 36.619 -51.988 -0.444 1.00 60.35 C +ATOM 1340 CD LYS A 202 35.213 -52.280 0.078 1.00 58.06 C +ATOM 1341 CE LYS A 202 34.850 -53.747 -0.153 1.00 54.37 C +ATOM 1342 NZ LYS A 202 33.494 -54.035 0.343 1.00 48.81 N +ATOM 1343 N ASP A 203 38.221 -47.896 -1.729 1.00 65.24 N +ATOM 1344 CA ASP A 203 38.191 -46.440 -1.719 1.00 68.05 C +ATOM 1345 C ASP A 203 37.286 -45.920 -0.591 1.00 66.31 C +ATOM 1346 O ASP A 203 36.267 -46.532 -0.233 1.00 62.03 O +ATOM 1347 CB ASP A 203 37.732 -45.890 -3.084 1.00 65.45 C +ATOM 1348 CG ASP A 203 38.608 -46.353 -4.249 1.00 61.50 C +ATOM 1349 OD1 ASP A 203 39.776 -46.736 -3.997 1.00 58.90 O +ATOM 1350 OD2 ASP A 203 38.062 -46.418 -5.379 1.00 56.56 O +ATOM 1351 N GLY A 204 37.694 -44.811 -0.019 1.00 66.38 N +ATOM 1352 CA GLY A 204 36.868 -44.106 0.943 1.00 66.32 C +ATOM 1353 C GLY A 204 35.528 -43.695 0.323 1.00 66.04 C +ATOM 1354 O GLY A 204 35.433 -43.403 -0.861 1.00 64.14 O +ATOM 1355 N GLN A 205 34.493 -43.676 1.138 1.00 60.24 N +ATOM 1356 CA GLN A 205 33.199 -43.167 0.669 1.00 63.52 C +ATOM 1357 C GLN A 205 33.303 -41.668 0.414 1.00 62.61 C +ATOM 1358 O GLN A 205 33.906 -40.939 1.204 1.00 59.47 O +ATOM 1359 CB GLN A 205 32.089 -43.454 1.686 1.00 61.34 C +ATOM 1360 CG GLN A 205 31.785 -44.967 1.779 1.00 57.55 C +ATOM 1361 CD GLN A 205 30.642 -45.301 2.725 1.00 53.14 C +ATOM 1362 OE1 GLN A 205 30.138 -44.516 3.506 1.00 51.84 O +ATOM 1363 NE2 GLN A 205 30.184 -46.526 2.718 1.00 48.64 N +ATOM 1364 N ASP A 206 32.657 -41.208 -0.655 1.00 66.68 N +ATOM 1365 CA ASP A 206 32.535 -39.789 -0.932 1.00 69.79 C +ATOM 1366 C ASP A 206 31.967 -39.041 0.280 1.00 68.40 C +ATOM 1367 O ASP A 206 31.136 -39.558 1.040 1.00 64.14 O +ATOM 1368 CB ASP A 206 31.649 -39.544 -2.165 1.00 66.54 C +ATOM 1369 CG ASP A 206 32.241 -40.081 -3.469 1.00 62.84 C +ATOM 1370 OD1 ASP A 206 33.479 -40.233 -3.520 1.00 60.43 O +ATOM 1371 OD2 ASP A 206 31.436 -40.340 -4.390 1.00 58.12 O +ATOM 1372 N GLY A 207 32.434 -37.823 0.452 1.00 67.83 N +ATOM 1373 CA GLY A 207 31.885 -36.935 1.456 1.00 67.96 C +ATOM 1374 C GLY A 207 30.382 -36.739 1.252 1.00 68.12 C +ATOM 1375 O GLY A 207 29.883 -36.710 0.132 1.00 66.14 O +ATOM 1376 N LYS A 208 29.660 -36.603 2.349 1.00 65.77 N +ATOM 1377 CA LYS A 208 28.233 -36.304 2.266 1.00 69.93 C +ATOM 1378 C LYS A 208 28.033 -34.953 1.590 1.00 69.96 C +ATOM 1379 O LYS A 208 28.765 -34.006 1.865 1.00 68.07 O +ATOM 1380 CB LYS A 208 27.570 -36.323 3.647 1.00 66.61 C +ATOM 1381 CG LYS A 208 27.566 -37.730 4.259 1.00 62.53 C +ATOM 1382 CD LYS A 208 26.840 -37.714 5.607 1.00 59.81 C +ATOM 1383 CE LYS A 208 26.866 -39.124 6.208 1.00 55.43 C +ATOM 1384 NZ LYS A 208 26.194 -39.164 7.529 1.00 49.86 N +ATOM 1385 N ASP A 209 27.007 -34.876 0.766 1.00 66.93 N +ATOM 1386 CA ASP A 209 26.572 -33.613 0.190 1.00 69.88 C +ATOM 1387 C ASP A 209 26.387 -32.543 1.263 1.00 68.91 C +ATOM 1388 O ASP A 209 25.927 -32.822 2.378 1.00 64.43 O +ATOM 1389 CB ASP A 209 25.252 -33.821 -0.562 1.00 66.70 C +ATOM 1390 CG ASP A 209 25.374 -34.644 -1.845 1.00 63.78 C +ATOM 1391 OD1 ASP A 209 26.506 -34.839 -2.316 1.00 61.21 O +ATOM 1392 OD2 ASP A 209 24.293 -34.962 -2.395 1.00 58.50 O +ATOM 1393 N GLY A 210 26.744 -31.317 0.918 1.00 70.07 N +ATOM 1394 CA GLY A 210 26.445 -30.171 1.757 1.00 70.32 C +ATOM 1395 C GLY A 210 24.943 -30.059 2.035 1.00 70.87 C +ATOM 1396 O GLY A 210 24.112 -30.406 1.197 1.00 68.80 O +ATOM 1397 N LEU A 211 24.620 -29.587 3.223 1.00 63.51 N +ATOM 1398 CA LEU A 211 23.223 -29.351 3.566 1.00 67.99 C +ATOM 1399 C LEU A 211 22.604 -28.327 2.596 1.00 67.71 C +ATOM 1400 O LEU A 211 23.301 -27.381 2.213 1.00 67.03 O +ATOM 1401 CB LEU A 211 23.085 -28.883 5.026 1.00 66.08 C +ATOM 1402 CG LEU A 211 23.485 -29.937 6.077 1.00 62.03 C +ATOM 1403 CD1 LEU A 211 23.434 -29.319 7.471 1.00 59.20 C +ATOM 1404 CD2 LEU A 211 22.552 -31.159 6.061 1.00 57.50 C +ATOM 1405 N PRO A 212 21.335 -28.480 2.228 1.00 68.84 N +ATOM 1406 CA PRO A 212 20.625 -27.459 1.466 1.00 72.40 C +ATOM 1407 C PRO A 212 20.759 -26.085 2.128 1.00 70.68 C +ATOM 1408 O PRO A 212 20.785 -25.975 3.353 1.00 67.83 O +ATOM 1409 CB PRO A 212 19.160 -27.920 1.399 1.00 71.17 C +ATOM 1410 CG PRO A 212 19.257 -29.432 1.565 1.00 68.15 C +ATOM 1411 CD PRO A 212 20.452 -29.609 2.502 1.00 69.67 C +ATOM 1412 N GLY A 213 20.866 -25.050 1.302 1.00 69.32 N +ATOM 1413 CA GLY A 213 20.754 -23.684 1.777 1.00 70.63 C +ATOM 1414 C GLY A 213 19.408 -23.467 2.472 1.00 70.18 C +ATOM 1415 O GLY A 213 18.426 -24.133 2.165 1.00 69.34 O +ATOM 1416 N LYS A 214 19.390 -22.561 3.442 1.00 69.06 N +ATOM 1417 CA LYS A 214 18.123 -22.184 4.072 1.00 73.31 C +ATOM 1418 C LYS A 214 17.261 -21.425 3.077 1.00 73.29 C +ATOM 1419 O LYS A 214 17.792 -20.618 2.320 1.00 71.96 O +ATOM 1420 CB LYS A 214 18.355 -21.330 5.325 1.00 69.88 C +ATOM 1421 CG LYS A 214 19.064 -22.111 6.436 1.00 64.74 C +ATOM 1422 CD LYS A 214 19.212 -21.241 7.682 1.00 61.37 C +ATOM 1423 CE LYS A 214 19.913 -22.032 8.777 1.00 56.61 C +ATOM 1424 NZ LYS A 214 20.059 -21.237 10.017 1.00 50.51 N +ATOM 1425 N ASP A 215 15.955 -21.621 3.167 1.00 69.33 N +ATOM 1426 CA ASP A 215 14.997 -20.858 2.380 1.00 71.85 C +ATOM 1427 C ASP A 215 15.222 -19.352 2.562 1.00 70.74 C +ATOM 1428 O ASP A 215 15.599 -18.868 3.641 1.00 67.07 O +ATOM 1429 CB ASP A 215 13.558 -21.253 2.746 1.00 69.28 C +ATOM 1430 CG ASP A 215 13.272 -22.756 2.608 1.00 64.62 C +ATOM 1431 OD1 ASP A 215 14.069 -23.450 1.928 1.00 60.82 O +ATOM 1432 OD2 ASP A 215 12.335 -23.219 3.291 1.00 58.84 O +ATOM 1433 N GLY A 216 15.030 -18.616 1.476 1.00 71.92 N +ATOM 1434 CA GLY A 216 15.037 -17.163 1.503 1.00 72.25 C +ATOM 1435 C GLY A 216 13.960 -16.632 2.451 1.00 72.00 C +ATOM 1436 O GLY A 216 12.893 -17.210 2.602 1.00 70.49 O +ATOM 1437 N LYS A 217 14.246 -15.512 3.106 1.00 67.65 N +ATOM 1438 CA LYS A 217 13.219 -14.858 3.919 1.00 71.61 C +ATOM 1439 C LYS A 217 12.140 -14.273 3.020 1.00 71.17 C +ATOM 1440 O LYS A 217 12.449 -13.735 1.953 1.00 70.07 O +ATOM 1441 CB LYS A 217 13.828 -13.760 4.801 1.00 68.75 C +ATOM 1442 CG LYS A 217 14.774 -14.326 5.876 1.00 63.71 C +ATOM 1443 CD LYS A 217 15.290 -13.198 6.761 1.00 61.00 C +ATOM 1444 CE LYS A 217 16.230 -13.753 7.827 1.00 56.08 C +ATOM 1445 NZ LYS A 217 16.740 -12.682 8.715 1.00 50.37 N +ATOM 1446 N ASP A 218 10.914 -14.304 3.503 1.00 69.14 N +ATOM 1447 CA ASP A 218 9.802 -13.639 2.832 1.00 71.18 C +ATOM 1448 C ASP A 218 10.114 -12.156 2.578 1.00 70.71 C +ATOM 1449 O ASP A 218 10.797 -11.485 3.361 1.00 66.37 O +ATOM 1450 CB ASP A 218 8.517 -13.759 3.659 1.00 68.27 C +ATOM 1451 CG ASP A 218 8.045 -15.196 3.848 1.00 64.36 C +ATOM 1452 OD1 ASP A 218 8.416 -16.049 3.017 1.00 60.88 O +ATOM 1453 OD2 ASP A 218 7.327 -15.421 4.849 1.00 58.25 O +ATOM 1454 N GLY A 219 9.603 -11.652 1.460 1.00 70.36 N +ATOM 1455 CA GLY A 219 9.682 -10.238 1.136 1.00 70.52 C +ATOM 1456 C GLY A 219 9.016 -9.379 2.212 1.00 70.38 C +ATOM 1457 O GLY A 219 8.017 -9.749 2.816 1.00 68.44 O +ATOM 1458 N LEU A 220 9.584 -8.206 2.446 1.00 61.84 N +ATOM 1459 CA LEU A 220 8.963 -7.260 3.369 1.00 66.17 C +ATOM 1460 C LEU A 220 7.608 -6.795 2.811 1.00 65.63 C +ATOM 1461 O LEU A 220 7.482 -6.599 1.600 1.00 64.55 O +ATOM 1462 CB LEU A 220 9.894 -6.067 3.639 1.00 64.83 C +ATOM 1463 CG LEU A 220 11.182 -6.427 4.400 1.00 60.54 C +ATOM 1464 CD1 LEU A 220 12.061 -5.179 4.523 1.00 57.91 C +ATOM 1465 CD2 LEU A 220 10.906 -6.951 5.808 1.00 56.69 C +ATOM 1466 N PRO A 221 6.616 -6.560 3.678 1.00 67.33 N +ATOM 1467 CA PRO A 221 5.360 -5.969 3.248 1.00 70.00 C +ATOM 1468 C PRO A 221 5.570 -4.661 2.487 1.00 68.55 C +ATOM 1469 O PRO A 221 6.428 -3.851 2.862 1.00 65.91 O +ATOM 1470 CB PRO A 221 4.543 -5.753 4.522 1.00 68.88 C +ATOM 1471 CG PRO A 221 5.104 -6.787 5.489 1.00 65.35 C +ATOM 1472 CD PRO A 221 6.573 -6.863 5.107 1.00 66.03 C +ATOM 1473 N GLY A 222 4.772 -4.437 1.456 1.00 67.53 N +ATOM 1474 CA GLY A 222 4.756 -3.171 0.740 1.00 68.32 C +ATOM 1475 C GLY A 222 4.454 -1.995 1.672 1.00 68.59 C +ATOM 1476 O GLY A 222 3.729 -2.127 2.667 1.00 66.66 O +ATOM 1477 N LYS A 223 5.029 -0.840 1.363 1.00 61.75 N +ATOM 1478 CA LYS A 223 4.757 0.388 2.122 1.00 66.32 C +ATOM 1479 C LYS A 223 3.319 0.839 1.877 1.00 66.47 C +ATOM 1480 O LYS A 223 2.803 0.717 0.768 1.00 65.05 O +ATOM 1481 CB LYS A 223 5.759 1.496 1.763 1.00 63.83 C +ATOM 1482 CG LYS A 223 7.178 1.139 2.219 1.00 59.36 C +ATOM 1483 CD LYS A 223 8.185 2.233 1.842 1.00 56.51 C +ATOM 1484 CE LYS A 223 9.585 1.785 2.250 1.00 53.30 C +ATOM 1485 NZ LYS A 223 10.648 2.670 1.728 1.00 47.15 N +ATOM 1486 N ASP A 224 2.711 1.400 2.912 1.00 64.23 N +ATOM 1487 CA ASP A 224 1.390 1.998 2.787 1.00 67.06 C +ATOM 1488 C ASP A 224 1.377 3.079 1.700 1.00 65.40 C +ATOM 1489 O ASP A 224 2.351 3.815 1.515 1.00 61.73 O +ATOM 1490 CB ASP A 224 0.945 2.594 4.127 1.00 65.02 C +ATOM 1491 CG ASP A 224 0.772 1.554 5.238 1.00 61.12 C +ATOM 1492 OD1 ASP A 224 0.537 0.371 4.924 1.00 57.74 O +ATOM 1493 OD2 ASP A 224 0.830 1.971 6.408 1.00 55.64 O +ATOM 1494 N GLY A 225 0.268 3.167 0.982 1.00 65.70 N +ATOM 1495 CA GLY A 225 0.041 4.232 0.017 1.00 65.98 C +ATOM 1496 C GLY A 225 0.102 5.610 0.683 1.00 66.24 C +ATOM 1497 O GLY A 225 -0.212 5.773 1.851 1.00 63.62 O +ATOM 1498 N LYS A 226 0.526 6.613 -0.085 1.00 61.05 N +ATOM 1499 CA LYS A 226 0.515 7.998 0.406 1.00 65.94 C +ATOM 1500 C LYS A 226 -0.931 8.451 0.629 1.00 65.48 C +ATOM 1501 O LYS A 226 -1.805 8.127 -0.168 1.00 63.78 O +ATOM 1502 CB LYS A 226 1.219 8.945 -0.569 1.00 63.83 C +ATOM 1503 CG LYS A 226 2.726 8.664 -0.658 1.00 59.16 C +ATOM 1504 CD LYS A 226 3.399 9.699 -1.564 1.00 56.53 C +ATOM 1505 CE LYS A 226 4.902 9.436 -1.648 1.00 53.23 C +ATOM 1506 NZ LYS A 226 5.576 10.473 -2.457 1.00 47.68 N +ATOM 1507 N ASP A 227 -1.124 9.252 1.668 1.00 63.93 N +ATOM 1508 CA ASP A 227 -2.409 9.886 1.917 1.00 67.07 C +ATOM 1509 C ASP A 227 -2.868 10.684 0.692 1.00 65.11 C +ATOM 1510 O ASP A 227 -2.064 11.294 -0.022 1.00 61.05 O +ATOM 1511 CB ASP A 227 -2.335 10.788 3.153 1.00 65.08 C +ATOM 1512 CG ASP A 227 -2.008 10.035 4.441 1.00 60.96 C +ATOM 1513 OD1 ASP A 227 -2.301 8.819 4.512 1.00 57.67 O +ATOM 1514 OD2 ASP A 227 -1.439 10.680 5.343 1.00 54.98 O +ATOM 1515 N GLY A 228 -4.166 10.667 0.444 1.00 63.97 N +ATOM 1516 CA GLY A 228 -4.773 11.461 -0.612 1.00 64.03 C +ATOM 1517 C GLY A 228 -4.469 12.949 -0.435 1.00 64.43 C +ATOM 1518 O GLY A 228 -4.397 13.458 0.679 1.00 61.38 O +ATOM 1519 N GLN A 229 -4.280 13.659 -1.538 1.00 56.94 N +ATOM 1520 CA GLN A 229 -4.075 15.105 -1.467 1.00 60.62 C +ATOM 1521 C GLN A 229 -5.326 15.790 -0.903 1.00 59.12 C +ATOM 1522 O GLN A 229 -6.439 15.386 -1.240 1.00 58.01 O +ATOM 1523 CB GLN A 229 -3.699 15.689 -2.834 1.00 59.98 C +ATOM 1524 CG GLN A 229 -2.297 15.248 -3.280 1.00 56.73 C +ATOM 1525 CD GLN A 229 -1.827 15.932 -4.562 1.00 52.66 C +ATOM 1526 OE1 GLN A 229 -2.512 16.691 -5.222 1.00 52.32 O +ATOM 1527 NE2 GLN A 229 -0.596 15.702 -4.966 1.00 48.23 N +ATOM 1528 N PRO A 230 -5.151 16.846 -0.079 1.00 63.53 N +ATOM 1529 CA PRO A 230 -6.274 17.646 0.375 1.00 65.89 C +ATOM 1530 C PRO A 230 -7.110 18.142 -0.809 1.00 62.54 C +ATOM 1531 O PRO A 230 -6.566 18.545 -1.834 1.00 60.11 O +ATOM 1532 CB PRO A 230 -5.674 18.813 1.169 1.00 66.13 C +ATOM 1533 CG PRO A 230 -4.322 18.273 1.621 1.00 61.48 C +ATOM 1534 CD PRO A 230 -3.898 17.350 0.483 1.00 62.16 C +ATOM 1535 N GLY A 231 -8.423 18.148 -0.643 1.00 63.14 N +ATOM 1536 CA GLY A 231 -9.318 18.731 -1.638 1.00 63.02 C +ATOM 1537 C GLY A 231 -8.932 20.185 -1.941 1.00 62.48 C +ATOM 1538 O GLY A 231 -8.504 20.916 -1.049 1.00 59.60 O +ATOM 1539 N LYS A 232 -9.064 20.600 -3.201 1.00 56.15 N +ATOM 1540 CA LYS A 232 -8.787 21.990 -3.575 1.00 60.84 C +ATOM 1541 C LYS A 232 -9.715 22.921 -2.791 1.00 58.21 C +ATOM 1542 O LYS A 232 -10.901 22.617 -2.678 1.00 57.65 O +ATOM 1543 CB LYS A 232 -8.953 22.212 -5.088 1.00 59.88 C +ATOM 1544 CG LYS A 232 -7.858 21.513 -5.912 1.00 55.89 C +ATOM 1545 CD LYS A 232 -8.058 21.774 -7.414 1.00 54.26 C +ATOM 1546 CE LYS A 232 -6.995 21.032 -8.228 1.00 51.26 C +ATOM 1547 NZ LYS A 232 -7.246 21.145 -9.687 1.00 46.36 N +ATOM 1548 N PRO A 233 -9.208 24.065 -2.278 1.00 59.58 N +ATOM 1549 CA PRO A 233 -10.071 25.064 -1.667 1.00 61.39 C +ATOM 1550 C PRO A 233 -11.203 25.449 -2.626 1.00 57.61 C +ATOM 1551 O PRO A 233 -10.949 25.645 -3.821 1.00 55.33 O +ATOM 1552 CB PRO A 233 -9.172 26.267 -1.343 1.00 61.51 C +ATOM 1553 CG PRO A 233 -7.773 25.670 -1.287 1.00 58.43 C +ATOM 1554 CD PRO A 233 -7.826 24.519 -2.290 1.00 59.86 C +ATOM 1555 N GLY A 234 -12.419 25.536 -2.105 1.00 55.71 N +ATOM 1556 CA GLY A 234 -13.539 26.028 -2.891 1.00 56.23 C +ATOM 1557 C GLY A 234 -13.207 27.400 -3.484 1.00 53.89 C +ATOM 1558 O GLY A 234 -12.609 28.237 -2.807 1.00 51.33 O +ATOM 1559 N LYS A 235 -13.530 27.623 -4.759 1.00 54.85 N +ATOM 1560 CA LYS A 235 -13.405 28.946 -5.377 1.00 59.99 C +ATOM 1561 C LYS A 235 -14.453 29.852 -4.737 1.00 54.20 C +ATOM 1562 O LYS A 235 -15.611 29.465 -4.687 1.00 51.82 O +ATOM 1563 CB LYS A 235 -13.563 28.873 -6.902 1.00 59.08 C +ATOM 1564 CG LYS A 235 -12.389 28.151 -7.581 1.00 53.93 C +ATOM 1565 CD LYS A 235 -12.563 28.174 -9.106 1.00 51.51 C +ATOM 1566 CE LYS A 235 -11.389 27.476 -9.800 1.00 49.35 C +ATOM 1567 NZ LYS A 235 -11.548 27.478 -11.276 1.00 44.04 N +ATOM 1568 N TYR A 236 -13.991 30.973 -4.217 1.00 60.16 N +ATOM 1569 CA TYR A 236 -14.842 32.022 -3.673 1.00 62.33 C +ATOM 1570 C TYR A 236 -15.718 32.638 -4.762 1.00 54.02 C +ATOM 1571 O TYR A 236 -15.243 32.732 -5.911 1.00 48.98 O +ATOM 1572 CB TYR A 236 -13.979 33.110 -3.014 1.00 57.26 C +ATOM 1573 CG TYR A 236 -13.205 32.643 -1.801 1.00 51.84 C +ATOM 1574 CD1 TYR A 236 -13.829 32.604 -0.536 1.00 48.39 C +ATOM 1575 CD2 TYR A 236 -11.853 32.260 -1.918 1.00 47.18 C +ATOM 1576 CE1 TYR A 236 -13.112 32.175 0.593 1.00 43.55 C +ATOM 1577 CE2 TYR A 236 -11.137 31.831 -0.793 1.00 51.30 C +ATOM 1578 CZ TYR A 236 -11.762 31.789 0.471 1.00 45.56 C +ATOM 1579 OH TYR A 236 -11.073 31.375 1.558 1.00 47.42 O +ATOM 1580 OXT TYR A 236 -16.859 33.001 -4.387 1.00 46.53 O +TER 1581 TYR A 236 +END diff --git a/protein_pdb_97.txt b/protein_pdb_97.txt new file mode 100644 index 0000000000000000000000000000000000000000..bf84dbb1a1841e24ca5f426127f7afe7b0b7545d --- /dev/null +++ b/protein_pdb_97.txt @@ -0,0 +1,150 @@ +ATOM 1 N GLY A 1 -16.151 -8.813 32.448 1.00 80.63 N +ATOM 2 CA GLY A 1 -15.833 -9.828 31.447 1.00 84.73 C +ATOM 3 C GLY A 1 -14.619 -9.433 30.637 1.00 85.33 C +ATOM 4 O GLY A 1 -14.163 -8.292 30.708 1.00 82.21 O +ATOM 5 N PRO A 2 -14.074 -10.348 29.860 1.00 78.23 N +ATOM 6 CA PRO A 2 -12.891 -10.043 29.054 1.00 84.65 C +ATOM 7 C PRO A 2 -13.222 -9.087 27.918 1.00 85.22 C +ATOM 8 O PRO A 2 -14.362 -9.001 27.475 1.00 83.77 O +ATOM 9 CB PRO A 2 -12.452 -11.411 28.519 1.00 81.76 C +ATOM 10 CG PRO A 2 -13.722 -12.190 28.470 1.00 78.14 C +ATOM 11 CD PRO A 2 -14.508 -11.737 29.680 1.00 79.15 C +HETATM 12 N HYP A 3 -12.293 -8.399 27.529 1.00 82.56 N +HETATM 13 CA HYP A 3 -12.415 -7.483 26.321 1.00 82.87 C +HETATM 14 C HYP A 3 -12.828 -8.274 25.105 1.00 75.35 C +HETATM 15 O HYP A 3 -12.493 -9.455 24.955 1.00 83.04 O +HETATM 16 CB HYP A 3 -10.990 -6.951 26.195 1.00 77.28 C +HETATM 17 CG HYP A 3 -10.352 -7.065 27.564 1.00 76.96 C +HETATM 18 CD HYP A 3 -10.961 -8.362 28.118 1.00 77.65 C +HETATM 19 OD1 HYP A 3 -10.731 -5.995 28.400 1.00 83.38 O +ATOM 20 N GLY A 4 -13.554 -7.600 24.217 1.00 89.74 N +ATOM 21 CA GLY A 4 -13.958 -8.218 22.978 1.00 89.27 C +ATOM 22 C GLY A 4 -12.770 -8.398 22.041 1.00 89.01 C +ATOM 23 O GLY A 4 -11.682 -7.868 22.291 1.00 87.47 O +ATOM 24 N PRO A 5 -12.973 -9.132 20.951 1.00 86.41 N +ATOM 25 CA PRO A 5 -11.876 -9.364 20.009 1.00 86.75 C +ATOM 26 C PRO A 5 -11.523 -8.092 19.246 1.00 85.94 C +ATOM 27 O PRO A 5 -12.332 -7.183 19.122 1.00 84.31 O +ATOM 28 CB PRO A 5 -12.429 -10.444 19.080 1.00 84.48 C +ATOM 29 CG PRO A 5 -13.898 -10.215 19.123 1.00 83.38 C +ATOM 30 CD PRO A 5 -14.190 -9.810 20.551 1.00 84.90 C +HETATM 31 N HYP A 6 -10.328 -8.048 18.773 1.00 87.87 N +HETATM 32 CA HYP A 6 -9.905 -6.907 17.890 1.00 88.65 C +HETATM 33 C HYP A 6 -10.719 -6.837 16.658 1.00 87.47 C +HETATM 34 O HYP A 6 -11.203 -7.861 16.149 1.00 87.56 O +HETATM 35 CB HYP A 6 -8.454 -7.273 17.584 1.00 84.97 C +HETATM 36 CG HYP A 6 -7.997 -8.123 18.753 1.00 82.53 C +HETATM 37 CD HYP A 6 -9.221 -8.913 19.086 1.00 87.28 C +HETATM 38 OD1 HYP A 6 -7.618 -7.315 19.841 1.00 83.71 O +ATOM 39 N GLY A 7 -10.916 -5.605 16.133 1.00 89.41 N +ATOM 40 CA GLY A 7 -11.649 -5.401 14.904 1.00 88.66 C +ATOM 41 C GLY A 7 -10.847 -5.879 13.704 1.00 89.73 C +ATOM 42 O GLY A 7 -9.675 -6.243 13.824 1.00 88.86 O +ATOM 43 N PRO A 8 -11.468 -5.873 12.528 1.00 84.51 N +ATOM 44 CA PRO A 8 -10.773 -6.323 11.319 1.00 84.88 C +ATOM 45 C PRO A 8 -9.713 -5.319 10.883 1.00 84.60 C +ATOM 46 O PRO A 8 -9.775 -4.144 11.219 1.00 81.87 O +ATOM 47 CB PRO A 8 -11.889 -6.443 10.292 1.00 82.14 C +ATOM 48 CG PRO A 8 -12.876 -5.418 10.743 1.00 83.12 C +ATOM 49 CD PRO A 8 -12.838 -5.476 12.252 1.00 83.99 C +HETATM 50 N HYP A 9 -8.770 -5.760 10.132 1.00 85.88 N +HETATM 51 CA HYP A 9 -7.738 -4.888 9.552 1.00 84.39 C +HETATM 52 C HYP A 9 -8.321 -3.908 8.622 1.00 85.06 C +HETATM 53 O HYP A 9 -9.294 -4.199 7.908 1.00 83.42 O +HETATM 54 CB HYP A 9 -6.832 -5.891 8.807 1.00 84.02 C +HETATM 55 CG HYP A 9 -7.003 -7.169 9.556 1.00 79.96 C +HETATM 56 CD HYP A 9 -8.458 -7.142 9.912 1.00 85.20 C +HETATM 57 OD1 HYP A 9 -6.219 -7.172 10.716 1.00 83.04 O +ATOM 58 N GLY A 10 -7.740 -2.682 8.538 1.00 87.85 N +ATOM 59 CA GLY A 10 -8.208 -1.651 7.642 1.00 86.34 C +ATOM 60 C GLY A 10 -7.996 -2.039 6.189 1.00 86.51 C +ATOM 61 O GLY A 10 -7.189 -2.916 5.866 1.00 84.65 O +ATOM 62 N ALA A 11 -8.724 -1.378 5.318 1.00 83.84 N +ATOM 63 CA ALA A 11 -8.594 -1.625 3.891 1.00 83.98 C +ATOM 64 C ALA A 11 -7.238 -1.138 3.394 1.00 83.12 C +ATOM 65 O ALA A 11 -6.647 -0.212 3.953 1.00 79.72 O +ATOM 66 CB ALA A 11 -9.710 -0.924 3.137 1.00 80.50 C +ATOM 67 N ALA A 12 -6.751 -1.763 2.324 1.00 79.10 N +ATOM 68 CA ALA A 12 -5.489 -1.349 1.734 1.00 78.80 C +ATOM 69 C ALA A 12 -5.611 0.083 1.231 1.00 78.56 C +ATOM 70 O ALA A 12 -6.676 0.507 0.779 1.00 73.40 O +ATOM 71 CB ALA A 12 -5.104 -2.276 0.585 1.00 75.25 C +ATOM 72 N GLY A 13 -4.527 0.822 1.331 1.00 83.78 N +ATOM 73 CA GLY A 13 -4.526 2.196 0.871 1.00 82.27 C +ATOM 74 C GLY A 13 -4.577 2.293 -0.642 1.00 83.21 C +ATOM 75 O GLY A 13 -4.451 1.285 -1.342 1.00 83.69 O +ATOM 76 N PRO A 14 -4.759 3.507 -1.180 1.00 77.90 N +ATOM 77 CA PRO A 14 -4.824 3.698 -2.624 1.00 79.88 C +ATOM 78 C PRO A 14 -3.452 3.526 -3.268 1.00 79.91 C +ATOM 79 O PRO A 14 -2.428 3.589 -2.597 1.00 79.36 O +ATOM 80 CB PRO A 14 -5.331 5.131 -2.769 1.00 77.90 C +ATOM 81 CG PRO A 14 -4.814 5.804 -1.549 1.00 77.33 C +ATOM 82 CD PRO A 14 -4.935 4.770 -0.459 1.00 76.84 C +HETATM 83 N HYP A 15 -3.428 3.320 -4.598 1.00 74.58 N +HETATM 84 CA HYP A 15 -2.184 3.251 -5.341 1.00 72.87 C +HETATM 85 C HYP A 15 -1.354 4.498 -5.219 1.00 71.48 C +HETATM 86 O HYP A 15 -1.925 5.590 -5.044 1.00 76.00 O +HETATM 87 CB HYP A 15 -2.692 3.077 -6.777 1.00 72.35 C +HETATM 88 CG HYP A 15 -4.040 2.409 -6.615 1.00 73.84 C +HETATM 89 CD HYP A 15 -4.579 3.041 -5.389 1.00 78.59 C +HETATM 90 OD1 HYP A 15 -3.919 1.039 -6.416 1.00 79.37 O +ATOM 91 N GLY A 16 -0.065 4.371 -5.199 1.00 88.90 N +ATOM 92 CA GLY A 16 0.802 5.512 -5.123 1.00 87.56 C +ATOM 93 C GLY A 16 0.747 6.334 -6.399 1.00 88.33 C +ATOM 94 O GLY A 16 0.154 5.906 -7.399 1.00 87.63 O +ATOM 95 N PRO A 17 1.373 7.516 -6.397 1.00 74.01 N +ATOM 96 CA PRO A 17 1.365 8.369 -7.584 1.00 74.59 C +ATOM 97 C PRO A 17 2.232 7.782 -8.695 1.00 73.93 C +ATOM 98 O PRO A 17 3.112 6.961 -8.444 1.00 74.42 O +ATOM 99 CB PRO A 17 1.925 9.690 -7.073 1.00 73.61 C +ATOM 100 CG PRO A 17 2.806 9.287 -5.941 1.00 72.25 C +ATOM 101 CD PRO A 17 2.090 8.131 -5.286 1.00 69.83 C +HETATM 102 N HYP A 18 2.007 8.186 -9.941 1.00 78.37 N +HETATM 103 CA HYP A 18 2.836 7.811 -11.055 1.00 82.56 C +HETATM 104 C HYP A 18 4.262 8.231 -10.914 1.00 74.49 C +HETATM 105 O HYP A 18 4.553 9.273 -10.294 1.00 82.21 O +HETATM 106 CB HYP A 18 2.168 8.513 -12.230 1.00 77.34 C +HETATM 107 CG HYP A 18 0.729 8.640 -11.841 1.00 78.41 C +HETATM 108 CD HYP A 18 0.827 8.884 -10.366 1.00 80.53 C +HETATM 109 OD1 HYP A 18 0.012 7.462 -12.073 1.00 84.01 O +ATOM 110 N GLY A 19 5.188 7.434 -11.394 1.00 83.42 N +ATOM 111 CA GLY A 19 6.588 7.749 -11.336 1.00 81.45 C +ATOM 112 C GLY A 19 6.918 8.917 -12.250 1.00 81.84 C +ATOM 113 O GLY A 19 6.070 9.373 -13.025 1.00 81.03 O +ATOM 114 N PRO A 20 8.154 9.398 -12.197 1.00 75.20 N +ATOM 115 CA PRO A 20 8.557 10.518 -13.041 1.00 76.07 C +ATOM 116 C PRO A 20 8.708 10.090 -14.497 1.00 75.71 C +ATOM 117 O PRO A 20 8.862 8.910 -14.793 1.00 74.12 O +ATOM 118 CB PRO A 20 9.892 10.948 -12.432 1.00 73.38 C +ATOM 119 CG PRO A 20 10.434 9.682 -11.872 1.00 72.19 C +ATOM 120 CD PRO A 20 9.229 8.947 -11.321 1.00 71.93 C +HETATM 121 N HYP A 21 8.689 11.021 -15.433 1.00 86.17 N +HETATM 122 CA HYP A 21 8.922 10.775 -16.822 1.00 82.76 C +HETATM 123 C HYP A 21 10.284 10.210 -17.108 1.00 85.75 C +HETATM 124 O HYP A 21 11.250 10.551 -16.406 1.00 85.87 O +HETATM 125 CB HYP A 21 8.826 12.164 -17.461 1.00 84.58 C +HETATM 126 CG HYP A 21 7.940 12.944 -16.531 1.00 82.07 C +HETATM 127 CD HYP A 21 8.308 12.394 -15.195 1.00 84.22 C +HETATM 128 OD1 HYP A 21 6.566 12.683 -16.784 1.00 83.55 O +ATOM 129 N GLY A 22 10.421 9.314 -18.056 1.00 82.31 N +ATOM 130 CA GLY A 22 11.691 8.762 -18.433 1.00 81.29 C +ATOM 131 C GLY A 22 12.556 9.824 -19.096 1.00 81.04 C +ATOM 132 O GLY A 22 12.101 10.946 -19.343 1.00 79.06 O +ATOM 133 N PRO A 23 13.805 9.493 -19.441 1.00 82.63 N +ATOM 134 CA PRO A 23 14.693 10.465 -20.075 1.00 84.95 C +ATOM 135 C PRO A 23 14.234 10.779 -21.485 1.00 83.62 C +ATOM 136 O PRO A 23 13.583 9.961 -22.139 1.00 79.31 O +ATOM 137 CB PRO A 23 16.056 9.781 -20.042 1.00 80.15 C +ATOM 138 CG PRO A 23 15.722 8.331 -20.050 1.00 75.46 C +ATOM 139 CD PRO A 23 14.468 8.209 -19.218 1.00 76.92 C +HETATM 140 N HYP A 24 14.619 11.933 -22.059 1.00 85.26 N +HETATM 141 CA HYP A 24 14.160 12.248 -23.415 1.00 85.04 C +HETATM 142 C HYP A 24 14.981 11.389 -24.418 1.00 81.75 C +HETATM 143 O HYP A 24 14.680 11.402 -25.558 1.00 84.63 O +HETATM 144 CB HYP A 24 14.720 13.721 -23.591 1.00 86.28 C +HETATM 145 CG HYP A 24 14.959 14.261 -22.235 1.00 83.81 C +HETATM 146 CD HYP A 24 15.281 13.023 -21.404 1.00 85.70 C +HETATM 147 OD1 HYP A 24 13.764 14.827 -21.738 1.00 79.78 O +HETATM 148 OXT HYP A 24 15.907 10.724 -23.990 1.00 79.75 O +TER 149 HYP A 24 +END diff --git a/protein_pdb_98.txt b/protein_pdb_98.txt new file mode 100644 index 0000000000000000000000000000000000000000..bd317c4d5626a53be7de0272a9e9f4c8df09f342 --- /dev/null +++ b/protein_pdb_98.txt @@ -0,0 +1,156 @@ +ATOM 1 N GLY A 1 14.073 -1.405 -3.295 1.00 82.11 N +ATOM 2 CA GLY A 1 13.085 -0.884 -4.230 1.00 83.74 C +ATOM 3 C GLY A 1 12.161 0.094 -3.554 1.00 85.33 C +ATOM 4 O GLY A 1 12.245 0.295 -2.345 1.00 82.91 O +ATOM 5 N PRO A 2 11.269 0.705 -4.304 1.00 84.01 N +ATOM 6 CA PRO A 2 10.356 1.689 -3.737 1.00 85.89 C +ATOM 7 C PRO A 2 9.285 1.042 -2.887 1.00 86.33 C +ATOM 8 O PRO A 2 9.050 -0.158 -2.954 1.00 84.82 O +ATOM 9 CB PRO A 2 9.748 2.355 -4.972 1.00 82.40 C +ATOM 10 CG PRO A 2 9.798 1.293 -6.009 1.00 77.76 C +ATOM 11 CD PRO A 2 11.060 0.525 -5.753 1.00 78.13 C +HETATM 12 N HYP A 3 8.684 1.853 -2.082 1.00 84.97 N +HETATM 13 CA HYP A 3 7.535 1.388 -1.285 1.00 84.95 C +HETATM 14 C HYP A 3 6.450 0.828 -2.173 1.00 87.25 C +HETATM 15 O HYP A 3 6.255 1.333 -3.314 1.00 89.09 O +HETATM 16 CB HYP A 3 7.040 2.703 -0.595 1.00 86.81 C +HETATM 17 CG HYP A 3 8.287 3.572 -0.513 1.00 83.02 C +HETATM 18 CD HYP A 3 8.997 3.266 -1.856 1.00 84.97 C +HETATM 19 OD1 HYP A 3 9.080 3.103 0.543 1.00 85.30 O +ATOM 20 N GLY A 4 5.827 -0.220 -1.717 1.00 89.60 N +ATOM 21 CA GLY A 4 4.722 -0.775 -2.446 1.00 88.75 C +ATOM 22 C GLY A 4 3.531 0.160 -2.454 1.00 89.54 C +ATOM 23 O GLY A 4 3.483 1.139 -1.709 1.00 89.81 O +ATOM 24 N PRO A 5 2.565 -0.137 -3.310 1.00 89.60 N +ATOM 25 CA PRO A 5 1.376 0.695 -3.386 1.00 89.48 C +ATOM 26 C PRO A 5 0.491 0.510 -2.169 1.00 89.21 C +ATOM 27 O PRO A 5 0.621 -0.464 -1.428 1.00 88.79 O +ATOM 28 CB PRO A 5 0.684 0.195 -4.654 1.00 87.80 C +ATOM 29 CG PRO A 5 1.098 -1.238 -4.737 1.00 85.51 C +ATOM 30 CD PRO A 5 2.503 -1.275 -4.231 1.00 87.22 C +HETATM 31 N HYP A 6 -0.394 1.487 -1.976 1.00 88.39 N +HETATM 32 CA HYP A 6 -1.383 1.335 -0.911 1.00 90.55 C +HETATM 33 C HYP A 6 -2.187 0.093 -1.091 1.00 90.66 C +HETATM 34 O HYP A 6 -2.455 -0.319 -2.260 1.00 90.04 O +HETATM 35 CB HYP A 6 -2.251 2.608 -1.100 1.00 86.59 C +HETATM 36 CG HYP A 6 -1.334 3.612 -1.748 1.00 85.63 C +HETATM 37 CD HYP A 6 -0.507 2.750 -2.691 1.00 88.12 C +HETATM 38 OD1 HYP A 6 -0.484 4.168 -0.767 1.00 85.88 O +ATOM 39 N GLY A 7 -2.529 -0.558 -0.017 1.00 88.41 N +ATOM 40 CA GLY A 7 -3.368 -1.725 -0.077 1.00 87.06 C +ATOM 41 C GLY A 7 -4.742 -1.394 -0.617 1.00 87.42 C +ATOM 42 O GLY A 7 -5.124 -0.232 -0.727 1.00 87.55 O +ATOM 43 N PRO A 8 -5.496 -2.430 -0.951 1.00 90.62 N +ATOM 44 CA PRO A 8 -6.828 -2.207 -1.489 1.00 90.36 C +ATOM 45 C PRO A 8 -7.793 -1.736 -0.410 1.00 90.71 C +ATOM 46 O PRO A 8 -7.571 -1.938 0.774 1.00 90.05 O +ATOM 47 CB PRO A 8 -7.223 -3.578 -2.024 1.00 87.69 C +ATOM 48 CG PRO A 8 -6.474 -4.526 -1.159 1.00 85.19 C +ATOM 49 CD PRO A 8 -5.167 -3.843 -0.854 1.00 86.38 C +HETATM 50 N HYP A 9 -8.858 -1.098 -0.850 1.00 85.57 N +HETATM 51 CA HYP A 9 -9.889 -0.704 0.048 1.00 87.79 C +HETATM 52 C HYP A 9 -10.534 -1.895 0.700 1.00 88.95 C +HETATM 53 O HYP A 9 -10.679 -2.949 0.042 1.00 88.49 O +HETATM 54 CB HYP A 9 -10.914 -0.004 -0.900 1.00 84.56 C +HETATM 55 CG HYP A 9 -10.117 0.450 -2.078 1.00 81.01 C +HETATM 56 CD HYP A 9 -9.078 -0.608 -2.238 1.00 86.95 C +HETATM 57 OD1 HYP A 9 -9.465 1.663 -1.748 1.00 82.65 O +ATOM 58 N GLY A 10 -10.838 -1.868 1.952 1.00 88.56 N +ATOM 59 CA GLY A 10 -11.638 -2.885 2.583 1.00 85.43 C +ATOM 60 C GLY A 10 -13.090 -2.745 2.162 1.00 85.93 C +ATOM 61 O GLY A 10 -13.427 -1.959 1.273 1.00 85.29 O +ATOM 62 N ALA A 11 -13.945 -3.500 2.822 1.00 89.24 N +ATOM 63 CA ALA A 11 -15.374 -3.414 2.537 1.00 91.21 C +ATOM 64 C ALA A 11 -15.950 -2.145 3.176 1.00 92.05 C +ATOM 65 O ALA A 11 -16.889 -2.202 3.960 1.00 90.18 O +ATOM 66 CB ALA A 11 -16.078 -4.657 3.058 1.00 89.45 C +ATOM 67 N ARG A 12 -15.378 -1.058 2.843 1.00 91.28 N +ATOM 68 CA ARG A 12 -15.531 0.324 3.312 1.00 91.96 C +ATOM 69 C ARG A 12 -14.296 0.825 4.037 1.00 92.53 C +ATOM 70 O ARG A 12 -14.220 2.003 4.373 1.00 89.68 O +ATOM 71 CB ARG A 12 -16.736 0.547 4.233 1.00 88.87 C +ATOM 72 CG ARG A 12 -18.065 0.236 3.610 1.00 83.03 C +ATOM 73 CD ARG A 12 -19.162 0.957 4.353 1.00 78.51 C +ATOM 74 NE ARG A 12 -20.458 0.357 4.116 1.00 76.82 N +ATOM 75 CZ ARG A 12 -21.066 -0.466 4.949 1.00 72.59 C +ATOM 76 NH1 ARG A 12 -20.498 -0.815 6.099 1.00 70.78 N +ATOM 77 NH2 ARG A 12 -22.260 -0.947 4.635 1.00 67.57 N +ATOM 78 N GLY A 13 -13.346 -0.052 4.269 1.00 92.81 N +ATOM 79 CA GLY A 13 -12.127 0.360 4.927 1.00 92.01 C +ATOM 80 C GLY A 13 -11.257 1.212 4.031 1.00 92.44 C +ATOM 81 O GLY A 13 -11.374 1.171 2.802 1.00 92.24 O +ATOM 82 N PRO A 14 -10.374 1.984 4.636 1.00 92.13 N +ATOM 83 CA PRO A 14 -9.448 2.793 3.856 1.00 91.67 C +ATOM 84 C PRO A 14 -8.381 1.926 3.207 1.00 91.71 C +ATOM 85 O PRO A 14 -8.191 0.772 3.573 1.00 90.70 O +ATOM 86 CB PRO A 14 -8.839 3.733 4.897 1.00 89.93 C +ATOM 87 CG PRO A 14 -8.889 2.944 6.156 1.00 88.88 C +ATOM 88 CD PRO A 14 -10.155 2.136 6.075 1.00 89.28 C +HETATM 89 N HYP A 15 -7.692 2.555 2.258 1.00 91.07 N +HETATM 90 CA HYP A 15 -6.576 1.861 1.663 1.00 89.96 C +HETATM 91 C HYP A 15 -5.552 1.490 2.703 1.00 91.48 C +HETATM 92 O HYP A 15 -5.385 2.227 3.695 1.00 91.96 O +HETATM 93 CB HYP A 15 -6.004 2.958 0.714 1.00 86.47 C +HETATM 94 CG HYP A 15 -7.196 3.833 0.379 1.00 85.45 C +HETATM 95 CD HYP A 15 -7.960 3.873 1.678 1.00 90.43 C +HETATM 96 OD1 HYP A 15 -7.961 3.213 -0.621 1.00 89.48 O +ATOM 97 N GLY A 16 -4.939 0.351 2.516 1.00 92.63 N +ATOM 98 CA GLY A 16 -3.882 -0.050 3.401 1.00 91.75 C +ATOM 99 C GLY A 16 -2.669 0.845 3.253 1.00 92.54 C +ATOM 100 O GLY A 16 -2.582 1.657 2.328 1.00 92.38 O +ATOM 101 N PRO A 17 -1.733 0.698 4.179 1.00 91.11 N +ATOM 102 CA PRO A 17 -0.516 1.497 4.106 1.00 90.45 C +ATOM 103 C PRO A 17 0.353 1.069 2.938 1.00 91.13 C +ATOM 104 O PRO A 17 0.199 -0.023 2.400 1.00 90.13 O +ATOM 105 CB PRO A 17 0.164 1.217 5.439 1.00 88.97 C +ATOM 106 CG PRO A 17 -0.309 -0.146 5.797 1.00 87.67 C +ATOM 107 CD PRO A 17 -1.716 -0.233 5.299 1.00 88.42 C +HETATM 108 N HYP A 18 1.266 1.962 2.558 1.00 88.69 N +HETATM 109 CA HYP A 18 2.223 1.599 1.565 1.00 88.16 C +HETATM 110 C HYP A 18 2.982 0.368 1.950 1.00 89.87 C +HETATM 111 O HYP A 18 3.247 0.152 3.160 1.00 89.30 O +HETATM 112 CB HYP A 18 3.161 2.819 1.524 1.00 86.81 C +HETATM 113 CG HYP A 18 2.305 3.961 1.963 1.00 86.29 C +HETATM 114 CD HYP A 18 1.444 3.326 3.035 1.00 89.59 C +HETATM 115 OD1 HYP A 18 1.483 4.385 0.880 1.00 86.97 O +ATOM 116 N GLY A 19 3.257 -0.491 0.998 1.00 86.84 N +ATOM 117 CA GLY A 19 4.041 -1.659 1.250 1.00 86.17 C +ATOM 118 C GLY A 19 5.460 -1.301 1.651 1.00 86.44 C +ATOM 119 O GLY A 19 5.891 -0.158 1.504 1.00 87.27 O +ATOM 120 N PRO A 20 6.185 -2.283 2.153 1.00 86.20 N +ATOM 121 CA PRO A 20 7.558 -2.030 2.555 1.00 85.57 C +ATOM 122 C PRO A 20 8.460 -1.823 1.349 1.00 85.84 C +ATOM 123 O PRO A 20 8.109 -2.174 0.228 1.00 86.70 O +ATOM 124 CB PRO A 20 7.931 -3.299 3.317 1.00 83.46 C +ATOM 125 CG PRO A 20 7.082 -4.347 2.699 1.00 79.97 C +ATOM 126 CD PRO A 20 5.790 -3.671 2.357 1.00 80.38 C +HETATM 127 N HYP A 21 9.594 -1.232 1.619 1.00 87.16 N +HETATM 128 CA HYP A 21 10.589 -1.105 0.572 1.00 87.19 C +HETATM 129 C HYP A 21 10.971 -2.433 -0.054 1.00 88.65 C +HETATM 130 O HYP A 21 10.958 -3.435 0.671 1.00 90.64 O +HETATM 131 CB HYP A 21 11.770 -0.456 1.280 1.00 86.46 C +HETATM 132 CG HYP A 21 11.148 0.309 2.436 1.00 82.60 C +HETATM 133 CD HYP A 21 10.027 -0.600 2.880 1.00 87.72 C +HETATM 134 OD1 HYP A 21 10.575 1.520 1.955 1.00 83.38 O +ATOM 135 N GLY A 22 11.150 -2.474 -1.317 1.00 86.24 N +ATOM 136 CA GLY A 22 11.558 -3.683 -1.976 1.00 83.75 C +ATOM 137 C GLY A 22 12.962 -4.094 -1.575 1.00 83.74 C +ATOM 138 O GLY A 22 13.611 -3.444 -0.755 1.00 83.86 O +ATOM 139 N PRO A 23 13.475 -5.184 -2.164 1.00 88.80 N +ATOM 140 CA PRO A 23 14.828 -5.628 -1.857 1.00 88.55 C +ATOM 141 C PRO A 23 15.842 -4.552 -2.187 1.00 87.50 C +ATOM 142 O PRO A 23 15.599 -3.691 -3.029 1.00 84.72 O +ATOM 143 CB PRO A 23 15.027 -6.843 -2.759 1.00 84.96 C +ATOM 144 CG PRO A 23 13.676 -7.237 -3.182 1.00 82.20 C +ATOM 145 CD PRO A 23 12.841 -6.012 -3.175 1.00 83.78 C +HETATM 146 N HYP A 24 16.939 -4.569 -1.599 1.00 87.87 N +HETATM 147 CA HYP A 24 17.932 -3.557 -1.934 1.00 82.03 C +HETATM 148 C HYP A 24 17.863 -3.160 -3.356 1.00 85.55 C +HETATM 149 O HYP A 24 18.758 -3.443 -4.144 1.00 80.53 O +HETATM 150 CB HYP A 24 19.211 -4.108 -1.431 1.00 83.62 C +HETATM 151 CG HYP A 24 18.851 -5.159 -0.398 1.00 83.97 C +HETATM 152 CD HYP A 24 17.467 -5.648 -0.783 1.00 86.32 C +HETATM 153 OD1 HYP A 24 18.751 -4.576 0.886 1.00 84.04 O +HETATM 154 OXT HYP A 24 16.845 -2.531 -3.677 1.00 82.28 O +TER 155 HYP A 24 +END diff --git a/protein_pdb_99.txt b/protein_pdb_99.txt new file mode 100644 index 0000000000000000000000000000000000000000..6677ba745a5d017a0606c3131cadae0a5d731595 --- /dev/null +++ b/protein_pdb_99.txt @@ -0,0 +1,157 @@ +ATOM 1 N GLY A 1 6.198 -0.300 -14.064 1.00 89.84 N +ATOM 2 CA GLY A 1 6.545 0.845 -13.259 1.00 91.61 C +ATOM 3 C GLY A 1 6.892 0.450 -11.845 1.00 92.40 C +ATOM 4 O GLY A 1 6.823 -0.725 -11.485 1.00 90.14 O +ATOM 5 N PRO A 2 7.232 1.413 -10.908 1.00 90.74 N +ATOM 6 CA PRO A 2 7.591 1.134 -9.525 1.00 91.55 C +ATOM 7 C PRO A 2 6.384 0.727 -8.687 1.00 91.23 C +ATOM 8 O PRO A 2 5.243 0.940 -9.079 1.00 89.60 O +ATOM 9 CB PRO A 2 8.183 2.454 -9.049 1.00 88.53 C +ATOM 10 CG PRO A 2 7.493 3.469 -9.888 1.00 84.82 C +ATOM 11 CD PRO A 2 7.344 2.830 -11.237 1.00 87.50 C +HETATM 12 N HYP A 3 6.682 0.144 -7.543 1.00 91.55 N +HETATM 13 CA HYP A 3 5.592 -0.200 -6.614 1.00 89.58 C +HETATM 14 C HYP A 3 4.850 1.041 -6.193 1.00 92.68 C +HETATM 15 O HYP A 3 5.450 2.143 -6.127 1.00 93.35 O +HETATM 16 CB HYP A 3 6.369 -0.793 -5.402 1.00 89.50 C +HETATM 17 CG HYP A 3 7.617 -1.394 -6.024 1.00 86.14 C +HETATM 18 CD HYP A 3 7.961 -0.348 -7.121 1.00 89.65 C +HETATM 19 OD1 HYP A 3 7.271 -2.608 -6.624 1.00 88.87 O +ATOM 20 N GLY A 4 3.563 0.862 -5.979 1.00 93.91 N +ATOM 21 CA GLY A 4 2.747 1.954 -5.535 1.00 93.77 C +ATOM 22 C GLY A 4 3.119 2.389 -4.131 1.00 94.50 C +ATOM 23 O GLY A 4 3.871 1.704 -3.434 1.00 94.78 O +ATOM 24 N PRO A 5 2.596 3.532 -3.698 1.00 92.14 N +ATOM 25 CA PRO A 5 2.893 4.020 -2.358 1.00 92.69 C +ATOM 26 C PRO A 5 2.193 3.186 -1.296 1.00 92.50 C +ATOM 27 O PRO A 5 1.254 2.455 -1.582 1.00 91.46 O +ATOM 28 CB PRO A 5 2.365 5.453 -2.386 1.00 90.93 C +ATOM 29 CG PRO A 5 1.240 5.384 -3.361 1.00 88.32 C +ATOM 30 CD PRO A 5 1.701 4.429 -4.422 1.00 91.13 C +HETATM 31 N HYP A 6 2.691 3.314 -0.073 1.00 94.06 N +HETATM 32 CA HYP A 6 2.041 2.654 1.033 1.00 93.75 C +HETATM 33 C HYP A 6 0.621 3.119 1.211 1.00 95.55 C +HETATM 34 O HYP A 6 0.287 4.288 0.922 1.00 93.99 O +HETATM 35 CB HYP A 6 2.897 3.129 2.239 1.00 92.05 C +HETATM 36 CG HYP A 6 4.244 3.383 1.634 1.00 89.81 C +HETATM 37 CD HYP A 6 3.889 3.999 0.292 1.00 92.34 C +HETATM 38 OD1 HYP A 6 4.912 2.158 1.444 1.00 89.97 O +ATOM 39 N GLY A 7 -0.216 2.204 1.619 1.00 93.43 N +ATOM 40 CA GLY A 7 -1.587 2.537 1.872 1.00 92.75 C +ATOM 41 C GLY A 7 -1.711 3.443 3.081 1.00 93.34 C +ATOM 42 O GLY A 7 -0.749 3.665 3.812 1.00 93.30 O +ATOM 43 N PRO A 8 -2.896 3.978 3.304 1.00 94.30 N +ATOM 44 CA PRO A 8 -3.107 4.852 4.448 1.00 94.15 C +ATOM 45 C PRO A 8 -3.145 4.061 5.743 1.00 94.02 C +ATOM 46 O PRO A 8 -3.325 2.848 5.746 1.00 92.36 O +ATOM 47 CB PRO A 8 -4.458 5.491 4.150 1.00 92.19 C +ATOM 48 CG PRO A 8 -5.173 4.440 3.375 1.00 90.67 C +ATOM 49 CD PRO A 8 -4.113 3.813 2.510 1.00 92.80 C +HETATM 50 N HYP A 9 -2.964 4.787 6.869 1.00 93.49 N +HETATM 51 CA HYP A 9 -3.080 4.168 8.131 1.00 92.85 C +HETATM 52 C HYP A 9 -4.461 3.628 8.385 1.00 94.58 C +HETATM 53 O HYP A 9 -5.451 4.244 7.958 1.00 93.14 O +HETATM 54 CB HYP A 9 -2.805 5.326 9.147 1.00 90.62 C +HETATM 55 CG HYP A 9 -1.999 6.299 8.376 1.00 89.50 C +HETATM 56 CD HYP A 9 -2.535 6.201 6.989 1.00 92.15 C +HETATM 57 OD1 HYP A 9 -0.651 5.868 8.385 1.00 89.38 O +ATOM 58 N GLY A 10 -4.609 2.483 8.982 1.00 93.65 N +ATOM 59 CA GLY A 10 -5.904 1.997 9.408 1.00 92.19 C +ATOM 60 C GLY A 10 -6.377 2.848 10.569 1.00 92.54 C +ATOM 61 O GLY A 10 -5.647 3.713 11.065 1.00 91.28 O +ATOM 62 N GLU A 11 -7.598 2.592 11.044 1.00 91.07 N +ATOM 63 CA GLU A 11 -8.103 3.423 12.134 1.00 92.96 C +ATOM 64 C GLU A 11 -7.220 3.350 13.378 1.00 92.88 C +ATOM 65 O GLU A 11 -7.191 4.293 14.162 1.00 89.50 O +ATOM 66 CB GLU A 11 -9.555 3.066 12.462 1.00 90.11 C +ATOM 67 CG GLU A 11 -9.763 1.716 13.092 1.00 83.86 C +ATOM 68 CD GLU A 11 -11.212 1.485 13.508 1.00 77.76 C +ATOM 69 OE1 GLU A 11 -12.061 2.361 13.262 1.00 73.23 O +ATOM 70 OE2 GLU A 11 -11.488 0.426 14.086 1.00 73.97 O +ATOM 71 N MET A 12 -6.497 2.252 13.535 1.00 94.38 N +ATOM 72 CA MET A 12 -5.553 2.097 14.643 1.00 95.13 C +ATOM 73 C MET A 12 -4.275 1.412 14.195 1.00 94.79 C +ATOM 74 O MET A 12 -3.535 0.878 15.022 1.00 90.26 O +ATOM 75 CB MET A 12 -6.180 1.268 15.774 1.00 93.47 C +ATOM 76 CG MET A 12 -7.396 1.884 16.404 1.00 89.54 C +ATOM 77 SD MET A 12 -8.020 0.907 17.770 1.00 85.50 S +ATOM 78 CE MET A 12 -6.747 1.180 18.980 1.00 76.61 C +ATOM 79 N GLY A 13 -4.005 1.412 12.896 1.00 94.57 N +ATOM 80 CA GLY A 13 -2.922 0.600 12.379 1.00 93.98 C +ATOM 81 C GLY A 13 -1.903 1.311 11.530 1.00 94.33 C +ATOM 82 O GLY A 13 -2.041 2.490 11.207 1.00 93.89 O +ATOM 83 N PRO A 14 -0.862 0.582 11.167 1.00 93.70 N +ATOM 84 CA PRO A 14 0.203 1.118 10.334 1.00 94.06 C +ATOM 85 C PRO A 14 -0.261 1.290 8.901 1.00 94.01 C +ATOM 86 O PRO A 14 -1.325 0.821 8.514 1.00 92.48 O +ATOM 87 CB PRO A 14 1.294 0.051 10.430 1.00 92.07 C +ATOM 88 CG PRO A 14 0.527 -1.211 10.595 1.00 90.41 C +ATOM 89 CD PRO A 14 -0.635 -0.833 11.479 1.00 92.35 C +HETATM 90 N HYP A 15 0.587 1.949 8.162 1.00 94.77 N +HETATM 91 CA HYP A 15 0.319 2.081 6.738 1.00 92.87 C +HETATM 92 C HYP A 15 0.229 0.756 6.066 1.00 94.98 C +HETATM 93 O HYP A 15 0.893 -0.216 6.492 1.00 94.19 O +HETATM 94 CB HYP A 15 1.573 2.866 6.257 1.00 90.52 C +HETATM 95 CG HYP A 15 2.060 3.615 7.490 1.00 87.59 C +HETATM 96 CD HYP A 15 1.787 2.628 8.609 1.00 91.84 C +HETATM 97 OD1 HYP A 15 1.283 4.761 7.679 1.00 90.65 O +ATOM 98 N GLY A 16 -0.602 0.675 5.050 1.00 94.94 N +ATOM 99 CA GLY A 16 -0.721 -0.546 4.292 1.00 95.07 C +ATOM 100 C GLY A 16 0.540 -0.808 3.492 1.00 95.71 C +ATOM 101 O GLY A 16 1.432 0.036 3.418 1.00 95.58 O +ATOM 102 N PRO A 17 0.614 -1.996 2.893 1.00 92.93 N +ATOM 103 CA PRO A 17 1.785 -2.342 2.105 1.00 93.55 C +ATOM 104 C PRO A 17 1.832 -1.556 0.807 1.00 93.92 C +ATOM 105 O PRO A 17 0.837 -0.998 0.367 1.00 92.62 O +ATOM 106 CB PRO A 17 1.602 -3.841 1.852 1.00 91.62 C +ATOM 107 CG PRO A 17 0.126 -4.019 1.866 1.00 89.77 C +ATOM 108 CD PRO A 17 -0.372 -3.078 2.919 1.00 92.22 C +HETATM 109 N HYP A 18 3.007 -1.530 0.203 1.00 93.07 N +HETATM 110 CA HYP A 18 3.147 -0.922 -1.083 1.00 92.75 C +HETATM 111 C HYP A 18 2.256 -1.565 -2.110 1.00 94.56 C +HETATM 112 O HYP A 18 1.971 -2.789 -2.041 1.00 93.35 O +HETATM 113 CB HYP A 18 4.625 -1.228 -1.435 1.00 90.53 C +HETATM 114 CG HYP A 18 5.317 -1.347 -0.097 1.00 88.77 C +HETATM 115 CD HYP A 18 4.246 -2.047 0.748 1.00 92.63 C +HETATM 116 OD1 HYP A 18 5.541 -0.045 0.438 1.00 90.00 O +ATOM 117 N GLY A 19 1.779 -0.780 -3.032 1.00 92.83 N +ATOM 118 CA GLY A 19 0.981 -1.292 -4.112 1.00 92.78 C +ATOM 119 C GLY A 19 1.826 -2.106 -5.070 1.00 93.30 C +ATOM 120 O GLY A 19 3.053 -2.134 -4.977 1.00 93.84 O +ATOM 121 N PRO A 20 1.173 -2.785 -5.994 1.00 86.03 N +ATOM 122 CA PRO A 20 1.892 -3.600 -6.963 1.00 87.16 C +ATOM 123 C PRO A 20 2.623 -2.735 -7.975 1.00 86.61 C +ATOM 124 O PRO A 20 2.353 -1.547 -8.114 1.00 87.74 O +ATOM 125 CB PRO A 20 0.784 -4.413 -7.618 1.00 84.69 C +ATOM 126 CG PRO A 20 -0.406 -3.522 -7.526 1.00 81.15 C +ATOM 127 CD PRO A 20 -0.271 -2.833 -6.203 1.00 84.11 C +HETATM 128 N HYP A 21 3.577 -3.361 -8.663 1.00 91.35 N +HETATM 129 CA HYP A 21 4.246 -2.673 -9.731 1.00 88.96 C +HETATM 130 C HYP A 21 3.315 -2.139 -10.776 1.00 92.37 C +HETATM 131 O HYP A 21 2.269 -2.764 -11.047 1.00 93.77 O +HETATM 132 CB HYP A 21 5.182 -3.743 -10.323 1.00 87.95 C +HETATM 133 CG HYP A 21 5.461 -4.682 -9.170 1.00 83.77 C +HETATM 134 CD HYP A 21 4.141 -4.704 -8.415 1.00 90.15 C +HETATM 135 OD1 HYP A 21 6.446 -4.093 -8.317 1.00 86.73 O +ATOM 136 N GLY A 22 3.622 -0.968 -11.292 1.00 90.70 N +ATOM 137 CA GLY A 22 2.828 -0.382 -12.328 1.00 89.49 C +ATOM 138 C GLY A 22 2.996 -1.140 -13.635 1.00 89.62 C +ATOM 139 O GLY A 22 3.772 -2.093 -13.717 1.00 89.43 O +ATOM 140 N PRO A 23 2.286 -0.719 -14.675 1.00 92.41 N +ATOM 141 CA PRO A 23 2.395 -1.400 -15.959 1.00 92.09 C +ATOM 142 C PRO A 23 3.774 -1.219 -16.558 1.00 90.42 C +ATOM 143 O PRO A 23 4.489 -0.274 -16.239 1.00 86.59 O +ATOM 144 CB PRO A 23 1.317 -0.736 -16.804 1.00 88.68 C +ATOM 145 CG PRO A 23 1.184 0.619 -16.205 1.00 85.79 C +ATOM 146 CD PRO A 23 1.382 0.408 -14.728 1.00 89.41 C +HETATM 147 N HYP A 24 4.190 -2.063 -17.357 1.00 93.26 N +HETATM 148 CA HYP A 24 5.567 -2.007 -17.908 1.00 84.43 C +HETATM 149 C HYP A 24 6.313 -0.786 -17.599 1.00 90.99 C +HETATM 150 O HYP A 24 6.919 -0.127 -18.425 1.00 85.77 O +HETATM 151 CB HYP A 24 5.531 -2.523 -19.245 1.00 85.84 C +HETATM 152 CG HYP A 24 4.102 -3.000 -19.503 1.00 84.94 C +HETATM 153 CD HYP A 24 3.312 -2.736 -18.218 1.00 90.38 C +HETATM 154 OD1 HYP A 24 4.084 -4.408 -19.689 1.00 84.20 O +HETATM 155 OXT HYP A 24 6.511 -0.470 -16.424 1.00 86.80 O +TER 156 HYP A 24 +END